Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:56:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BH4C3O2.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 68 39 11 3479 1505 232 Max 69 40 12 3482 1529 234 Sum 2451 1407 405 125301 54671 8385 bravais-lattice index = 14 lattice parameter (alat) = 9.4278 a.u. unit-cell volume = 1255.4708 (a.u.)^3 number of atoms/cell = 20 number of atomic types = 4 number of electrons = 62.00 number of Kohn-Sham states= 74 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)= 9.427843 celldm(2)= 1.063339 celldm(3)= 1.476849 celldm(4)= -0.249180 celldm(5)= -0.137203 celldm(6)= -0.066222 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.070416 1.061005 0.000000 ) a(3) = ( -0.202627 -0.382259 1.412056 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.066367 0.161464 ) b(2) = ( 0.000000 0.942502 0.255145 ) b(3) = ( 0.000000 0.000000 0.708187 ) 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 B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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) B 3.00 10.81100 B( 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= 250 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 -0.4712512 -0.1275727), wk = 0.0040000 k( 2) = ( 0.0000000 -0.4560496 -0.1234575), wk = 0.0040000 k( 3) = ( 0.0000000 -0.4408479 -0.1193422), wk = 0.0040000 k( 4) = ( 0.0000000 -0.4256462 -0.1152270), wk = 0.0040000 k( 5) = ( 0.0000000 -0.4104446 -0.1111117), wk = 0.0040000 k( 6) = ( 0.0000000 -0.3952429 -0.1069965), wk = 0.0040000 k( 7) = ( 0.0000000 -0.3800413 -0.1028812), wk = 0.0040000 k( 8) = ( 0.0000000 -0.3648396 -0.0987660), wk = 0.0040000 k( 9) = ( 0.0000000 -0.3496380 -0.0946507), wk = 0.0040000 k( 10) = ( 0.0000000 -0.3344363 -0.0905355), wk = 0.0040000 k( 11) = ( 0.0000000 -0.3192347 -0.0864202), wk = 0.0040000 k( 12) = ( 0.0000000 -0.3040330 -0.0823050), wk = 0.0040000 k( 13) = ( 0.0000000 -0.2888314 -0.0781897), wk = 0.0040000 k( 14) = ( 0.0000000 -0.2736297 -0.0740745), wk = 0.0040000 k( 15) = ( 0.0000000 -0.2584281 -0.0699592), wk = 0.0040000 k( 16) = ( 0.0000000 -0.2432264 -0.0658440), wk = 0.0040000 k( 17) = ( 0.0000000 -0.2280248 -0.0617287), wk = 0.0040000 k( 18) = ( 0.0000000 -0.2128231 -0.0576135), wk = 0.0040000 k( 19) = ( 0.0000000 -0.1976215 -0.0534982), wk = 0.0040000 k( 20) = ( 0.0000000 -0.1824198 -0.0493830), wk = 0.0040000 k( 21) = ( 0.0000000 -0.1672182 -0.0452677), wk = 0.0040000 k( 22) = ( 0.0000000 -0.1520165 -0.0411525), wk = 0.0040000 k( 23) = ( 0.0000000 -0.1368149 -0.0370372), wk = 0.0040000 k( 24) = ( 0.0000000 -0.1216132 -0.0329220), wk = 0.0040000 k( 25) = ( 0.0000000 -0.1064116 -0.0288067), wk = 0.0040000 k( 26) = ( 0.0000000 -0.0912099 -0.0246915), wk = 0.0040000 k( 27) = ( 0.0000000 -0.0760083 -0.0205762), wk = 0.0040000 k( 28) = ( 0.0000000 -0.0608066 -0.0164610), wk = 0.0040000 k( 29) = ( 0.0000000 -0.0456050 -0.0123458), wk = 0.0040000 k( 30) = ( 0.0000000 -0.0304033 -0.0082305), wk = 0.0040000 k( 31) = ( 0.0000000 -0.0152016 -0.0041152), wk = 0.0040000 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 33) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 34) = ( 0.0156250 0.0010370 0.0025229), wk = 0.0040000 k( 35) = ( 0.0312500 0.0020740 0.0050458), wk = 0.0040000 k( 36) = ( 0.0468750 0.0031110 0.0075686), wk = 0.0040000 k( 37) = ( 0.0625000 0.0041480 0.0100915), wk = 0.0040000 k( 38) = ( 0.0781250 0.0051849 0.0126144), wk = 0.0040000 k( 39) = ( 0.0937500 0.0062219 0.0151373), wk = 0.0040000 k( 40) = ( 0.1093750 0.0072589 0.0176602), wk = 0.0040000 k( 41) = ( 0.1250000 0.0082959 0.0201831), wk = 0.0040000 k( 42) = ( 0.1406250 0.0093329 0.0227059), wk = 0.0040000 k( 43) = ( 0.1562500 0.0103699 0.0252288), wk = 0.0040000 k( 44) = ( 0.1718750 0.0114069 0.0277517), wk = 0.0040000 k( 45) = ( 0.1875000 0.0124439 0.0302746), wk = 0.0040000 k( 46) = ( 0.2031250 0.0134809 0.0327975), wk = 0.0040000 k( 47) = ( 0.2187500 0.0145179 0.0353203), wk = 0.0040000 k( 48) = ( 0.2343750 0.0155548 0.0378432), wk = 0.0040000 k( 49) = ( 0.2500000 0.0165918 0.0403661), wk = 0.0040000 k( 50) = ( 0.2656250 0.0176288 0.0428890), wk = 0.0040000 k( 51) = ( 0.2812500 0.0186658 0.0454119), wk = 0.0040000 k( 52) = ( 0.2968750 0.0197028 0.0479348), wk = 0.0040000 k( 53) = ( 0.3125000 0.0207398 0.0504576), wk = 0.0040000 k( 54) = ( 0.3281250 0.0217768 0.0529805), wk = 0.0040000 k( 55) = ( 0.3437500 0.0228138 0.0555034), wk = 0.0040000 k( 56) = ( 0.3593750 0.0238508 0.0580263), wk = 0.0040000 k( 57) = ( 0.3750000 0.0248878 0.0605492), wk = 0.0040000 k( 58) = ( 0.3906250 0.0259247 0.0630720), wk = 0.0040000 k( 59) = ( 0.4062500 0.0269617 0.0655949), wk = 0.0040000 k( 60) = ( 0.4218750 0.0279987 0.0681178), wk = 0.0040000 k( 61) = ( 0.4375000 0.0290357 0.0706407), wk = 0.0040000 k( 62) = ( 0.4531250 0.0300727 0.0731636), wk = 0.0040000 k( 63) = ( 0.4687500 0.0311097 0.0756865), wk = 0.0040000 k( 64) = ( 0.4843750 0.0321467 0.0782093), wk = 0.0040000 k( 65) = ( 0.5000000 0.0331837 0.0807322), wk = 0.0040000 k( 66) = ( 0.5000000 -0.4380675 -0.0468405), wk = 0.0040000 k( 67) = ( 0.4880952 -0.4276374 -0.0457253), wk = 0.0040000 k( 68) = ( 0.4761905 -0.4172072 -0.0446100), wk = 0.0040000 k( 69) = ( 0.4642857 -0.4067770 -0.0434948), wk = 0.0040000 k( 70) = ( 0.4523810 -0.3963468 -0.0423795), wk = 0.0040000 k( 71) = ( 0.4404762 -0.3859166 -0.0412643), wk = 0.0040000 k( 72) = ( 0.4285714 -0.3754865 -0.0401490), wk = 0.0040000 k( 73) = ( 0.4166667 -0.3650563 -0.0390338), wk = 0.0040000 k( 74) = ( 0.4047619 -0.3546261 -0.0379185), wk = 0.0040000 k( 75) = ( 0.3928571 -0.3441959 -0.0368033), wk = 0.0040000 k( 76) = ( 0.3809524 -0.3337657 -0.0356880), wk = 0.0040000 k( 77) = ( 0.3690476 -0.3233356 -0.0345728), wk = 0.0040000 k( 78) = ( 0.3571429 -0.3129054 -0.0334575), wk = 0.0040000 k( 79) = ( 0.3452381 -0.3024752 -0.0323423), wk = 0.0040000 k( 80) = ( 0.3333333 -0.2920450 -0.0312270), wk = 0.0040000 k( 81) = ( 0.3214286 -0.2816148 -0.0301118), wk = 0.0040000 k( 82) = ( 0.3095238 -0.2711847 -0.0289965), wk = 0.0040000 k( 83) = ( 0.2976190 -0.2607545 -0.0278813), wk = 0.0040000 k( 84) = ( 0.2857143 -0.2503243 -0.0267660), wk = 0.0040000 k( 85) = ( 0.2738095 -0.2398941 -0.0256508), wk = 0.0040000 k( 86) = ( 0.2619048 -0.2294639 -0.0245355), wk = 0.0040000 k( 87) = ( 0.2500000 -0.2190338 -0.0234203), wk = 0.0040000 k( 88) = ( 0.2380952 -0.2086036 -0.0223050), wk = 0.0040000 k( 89) = ( 0.2261905 -0.1981734 -0.0211898), wk = 0.0040000 k( 90) = ( 0.2142857 -0.1877432 -0.0200745), wk = 0.0040000 k( 91) = ( 0.2023810 -0.1773130 -0.0189593), wk = 0.0040000 k( 92) = ( 0.1904762 -0.1668829 -0.0178440), wk = 0.0040000 k( 93) = ( 0.1785714 -0.1564527 -0.0167288), wk = 0.0040000 k( 94) = ( 0.1666667 -0.1460225 -0.0156135), wk = 0.0040000 k( 95) = ( 0.1547619 -0.1355923 -0.0144983), wk = 0.0040000 k( 96) = ( 0.1428571 -0.1251622 -0.0133830), wk = 0.0040000 k( 97) = ( 0.1309524 -0.1147320 -0.0122678), wk = 0.0040000 k( 98) = ( 0.1190476 -0.1043018 -0.0111525), wk = 0.0040000 k( 99) = ( 0.1071429 -0.0938716 -0.0100373), wk = 0.0040000 k( 100) = ( 0.0952381 -0.0834414 -0.0089220), wk = 0.0040000 k( 101) = ( 0.0833333 -0.0730113 -0.0078068), wk = 0.0040000 k( 102) = ( 0.0714286 -0.0625811 -0.0066915), wk = 0.0040000 k( 103) = ( 0.0595238 -0.0521509 -0.0055763), wk = 0.0040000 k( 104) = ( 0.0476191 -0.0417207 -0.0044610), wk = 0.0040000 k( 105) = ( 0.0357143 -0.0312905 -0.0033458), wk = 0.0040000 k( 106) = ( 0.0238095 -0.0208604 -0.0022305), wk = 0.0040000 k( 107) = ( 0.0119048 -0.0104302 -0.0011153), wk = 0.0040000 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 110) = ( -0.0138889 -0.0009218 0.0075934), wk = 0.0040000 k( 111) = ( -0.0277778 -0.0018435 0.0151867), wk = 0.0040000 k( 112) = ( -0.0416667 -0.0027653 0.0227801), wk = 0.0040000 k( 113) = ( -0.0555556 -0.0036871 0.0303735), wk = 0.0040000 k( 114) = ( -0.0694444 -0.0046088 0.0379668), wk = 0.0040000 k( 115) = ( -0.0833333 -0.0055306 0.0455602), wk = 0.0040000 k( 116) = ( -0.0972222 -0.0064524 0.0531536), wk = 0.0040000 k( 117) = ( -0.1111111 -0.0073741 0.0607469), wk = 0.0040000 k( 118) = ( -0.1250000 -0.0082959 0.0683403), wk = 0.0040000 k( 119) = ( -0.1388889 -0.0092177 0.0759337), wk = 0.0040000 k( 120) = ( -0.1527778 -0.0101395 0.0835271), wk = 0.0040000 k( 121) = ( -0.1666667 -0.0110612 0.0911204), wk = 0.0040000 k( 122) = ( -0.1805556 -0.0119830 0.0987138), wk = 0.0040000 k( 123) = ( -0.1944444 -0.0129048 0.1063072), wk = 0.0040000 k( 124) = ( -0.2083333 -0.0138265 0.1139005), wk = 0.0040000 k( 125) = ( -0.2222222 -0.0147483 0.1214939), wk = 0.0040000 k( 126) = ( -0.2361111 -0.0156701 0.1290873), wk = 0.0040000 k( 127) = ( -0.2500000 -0.0165918 0.1366806), wk = 0.0040000 k( 128) = ( -0.2638889 -0.0175136 0.1442740), wk = 0.0040000 k( 129) = ( -0.2777778 -0.0184354 0.1518674), wk = 0.0040000 k( 130) = ( -0.2916667 -0.0193571 0.1594607), wk = 0.0040000 k( 131) = ( -0.3055556 -0.0202789 0.1670541), wk = 0.0040000 k( 132) = ( -0.3194444 -0.0212007 0.1746475), wk = 0.0040000 k( 133) = ( -0.3333333 -0.0221224 0.1822408), wk = 0.0040000 k( 134) = ( -0.3472222 -0.0230442 0.1898342), wk = 0.0040000 k( 135) = ( -0.3611111 -0.0239660 0.1974276), wk = 0.0040000 k( 136) = ( -0.3750000 -0.0248878 0.2050209), wk = 0.0040000 k( 137) = ( -0.3888889 -0.0258095 0.2126143), wk = 0.0040000 k( 138) = ( -0.4027778 -0.0267313 0.2202077), wk = 0.0040000 k( 139) = ( -0.4166667 -0.0276531 0.2278011), wk = 0.0040000 k( 140) = ( -0.4305556 -0.0285748 0.2353944), wk = 0.0040000 k( 141) = ( -0.4444444 -0.0294966 0.2429878), wk = 0.0040000 k( 142) = ( -0.4583333 -0.0304184 0.2505812), wk = 0.0040000 k( 143) = ( -0.4722222 -0.0313401 0.2581745), wk = 0.0040000 k( 144) = ( -0.4861111 -0.0322619 0.2657679), wk = 0.0040000 k( 145) = ( -0.5000000 -0.0331837 0.2733613), wk = 0.0040000 k( 146) = ( -0.5000000 -0.5044349 0.1457885), wk = 0.0040000 k( 147) = ( -0.4891304 -0.4934689 0.1426192), wk = 0.0040000 k( 148) = ( -0.4782609 -0.4825029 0.1394499), wk = 0.0040000 k( 149) = ( -0.4673913 -0.4715369 0.1362806), wk = 0.0040000 k( 150) = ( -0.4565217 -0.4605710 0.1331113), wk = 0.0040000 k( 151) = ( -0.4456522 -0.4496050 0.1299419), wk = 0.0040000 k( 152) = ( -0.4347826 -0.4386390 0.1267726), wk = 0.0040000 k( 153) = ( -0.4239130 -0.4276730 0.1236033), wk = 0.0040000 k( 154) = ( -0.4130435 -0.4167071 0.1204340), wk = 0.0040000 k( 155) = ( -0.4021739 -0.4057411 0.1172647), wk = 0.0040000 k( 156) = ( -0.3913044 -0.3947751 0.1140954), wk = 0.0040000 k( 157) = ( -0.3804348 -0.3838091 0.1109260), wk = 0.0040000 k( 158) = ( -0.3695652 -0.3728432 0.1077567), wk = 0.0040000 k( 159) = ( -0.3586956 -0.3618772 0.1045874), wk = 0.0040000 k( 160) = ( -0.3478261 -0.3509112 0.1014181), wk = 0.0040000 k( 161) = ( -0.3369565 -0.3399452 0.0982488), wk = 0.0040000 k( 162) = ( -0.3260870 -0.3289793 0.0950795), wk = 0.0040000 k( 163) = ( -0.3152174 -0.3180133 0.0919102), wk = 0.0040000 k( 164) = ( -0.3043478 -0.3070473 0.0887408), wk = 0.0040000 k( 165) = ( -0.2934783 -0.2960813 0.0855715), wk = 0.0040000 k( 166) = ( -0.2826087 -0.2851154 0.0824022), wk = 0.0040000 k( 167) = ( -0.2717391 -0.2741494 0.0792329), wk = 0.0040000 k( 168) = ( -0.2608696 -0.2631834 0.0760636), wk = 0.0040000 k( 169) = ( -0.2500000 -0.2522174 0.0728943), wk = 0.0040000 k( 170) = ( -0.2391304 -0.2412515 0.0697249), wk = 0.0040000 k( 171) = ( -0.2282609 -0.2302855 0.0665556), wk = 0.0040000 k( 172) = ( -0.2173913 -0.2193195 0.0633863), wk = 0.0040000 k( 173) = ( -0.2065217 -0.2083535 0.0602170), wk = 0.0040000 k( 174) = ( -0.1956522 -0.1973876 0.0570477), wk = 0.0040000 k( 175) = ( -0.1847826 -0.1864216 0.0538784), wk = 0.0040000 k( 176) = ( -0.1739130 -0.1754556 0.0507091), wk = 0.0040000 k( 177) = ( -0.1630435 -0.1644896 0.0475397), wk = 0.0040000 k( 178) = ( -0.1521739 -0.1535237 0.0443704), wk = 0.0040000 k( 179) = ( -0.1413043 -0.1425577 0.0412011), wk = 0.0040000 k( 180) = ( -0.1304348 -0.1315917 0.0380318), wk = 0.0040000 k( 181) = ( -0.1195652 -0.1206257 0.0348625), wk = 0.0040000 k( 182) = ( -0.1086957 -0.1096598 0.0316932), wk = 0.0040000 k( 183) = ( -0.0978261 -0.0986938 0.0285238), wk = 0.0040000 k( 184) = ( -0.0869565 -0.0877278 0.0253545), wk = 0.0040000 k( 185) = ( -0.0760870 -0.0767618 0.0221852), wk = 0.0040000 k( 186) = ( -0.0652174 -0.0657959 0.0190159), wk = 0.0040000 k( 187) = ( -0.0543478 -0.0548299 0.0158466), wk = 0.0040000 k( 188) = ( -0.0434783 -0.0438639 0.0126773), wk = 0.0040000 k( 189) = ( -0.0326087 -0.0328979 0.0095079), wk = 0.0040000 k( 190) = ( -0.0217391 -0.0219320 0.0063386), wk = 0.0040000 k( 191) = ( -0.0108696 -0.0109660 0.0031693), wk = 0.0040000 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 194) = ( 0.0000000 0.0000000 0.0153954), wk = 0.0040000 k( 195) = ( 0.0000000 0.0000000 0.0307907), wk = 0.0040000 k( 196) = ( 0.0000000 0.0000000 0.0461861), wk = 0.0040000 k( 197) = ( 0.0000000 0.0000000 0.0615815), wk = 0.0040000 k( 198) = ( 0.0000000 0.0000000 0.0769768), wk = 0.0040000 k( 199) = ( 0.0000000 0.0000000 0.0923722), wk = 0.0040000 k( 200) = ( 0.0000000 0.0000000 0.1077676), wk = 0.0040000 k( 201) = ( 0.0000000 0.0000000 0.1231629), wk = 0.0040000 k( 202) = ( 0.0000000 0.0000000 0.1385583), wk = 0.0040000 k( 203) = ( 0.0000000 0.0000000 0.1539537), wk = 0.0040000 k( 204) = ( 0.0000000 0.0000000 0.1693491), wk = 0.0040000 k( 205) = ( 0.0000000 0.0000000 0.1847444), wk = 0.0040000 k( 206) = ( 0.0000000 0.0000000 0.2001398), wk = 0.0040000 k( 207) = ( 0.0000000 0.0000000 0.2155352), wk = 0.0040000 k( 208) = ( 0.0000000 0.0000000 0.2309305), wk = 0.0040000 k( 209) = ( 0.0000000 0.0000000 0.2463259), wk = 0.0040000 k( 210) = ( 0.0000000 0.0000000 0.2617213), wk = 0.0040000 k( 211) = ( 0.0000000 0.0000000 0.2771166), wk = 0.0040000 k( 212) = ( 0.0000000 0.0000000 0.2925120), wk = 0.0040000 k( 213) = ( 0.0000000 0.0000000 0.3079074), wk = 0.0040000 k( 214) = ( 0.0000000 0.0000000 0.3233027), wk = 0.0040000 k( 215) = ( 0.0000000 0.0000000 0.3386981), wk = 0.0040000 k( 216) = ( 0.0000000 0.0000000 0.3540935), wk = 0.0040000 k( 217) = ( 0.0000000 -0.4712512 0.2265207), wk = 0.0040000 k( 218) = ( 0.0000000 -0.4569709 0.2196565), wk = 0.0040000 k( 219) = ( 0.0000000 -0.4426905 0.2127922), wk = 0.0040000 k( 220) = ( 0.0000000 -0.4284102 0.2059279), wk = 0.0040000 k( 221) = ( 0.0000000 -0.4141298 0.1990637), wk = 0.0040000 k( 222) = ( 0.0000000 -0.3998495 0.1921994), wk = 0.0040000 k( 223) = ( 0.0000000 -0.3855692 0.1853352), wk = 0.0040000 k( 224) = ( 0.0000000 -0.3712888 0.1784709), wk = 0.0040000 k( 225) = ( 0.0000000 -0.3570085 0.1716066), wk = 0.0040000 k( 226) = ( 0.0000000 -0.3427281 0.1647424), wk = 0.0040000 k( 227) = ( 0.0000000 -0.3284478 0.1578781), wk = 0.0040000 k( 228) = ( 0.0000000 -0.3141675 0.1510138), wk = 0.0040000 k( 229) = ( 0.0000000 -0.2998871 0.1441496), wk = 0.0040000 k( 230) = ( 0.0000000 -0.2856068 0.1372853), wk = 0.0040000 k( 231) = ( 0.0000000 -0.2713265 0.1304210), wk = 0.0040000 k( 232) = ( 0.0000000 -0.2570461 0.1235568), wk = 0.0040000 k( 233) = ( 0.0000000 -0.2427658 0.1166925), wk = 0.0040000 k( 234) = ( 0.0000000 -0.2284854 0.1098282), wk = 0.0040000 k( 235) = ( 0.0000000 -0.2142051 0.1029640), wk = 0.0040000 k( 236) = ( 0.0000000 -0.1999248 0.0960997), wk = 0.0040000 k( 237) = ( 0.0000000 -0.1856444 0.0892354), wk = 0.0040000 k( 238) = ( 0.0000000 -0.1713641 0.0823712), wk = 0.0040000 k( 239) = ( 0.0000000 -0.1570837 0.0755069), wk = 0.0040000 k( 240) = ( 0.0000000 -0.1428034 0.0686426), wk = 0.0040000 k( 241) = ( 0.0000000 -0.1285231 0.0617784), wk = 0.0040000 k( 242) = ( 0.0000000 -0.1142427 0.0549141), wk = 0.0040000 k( 243) = ( 0.0000000 -0.0999624 0.0480499), wk = 0.0040000 k( 244) = ( 0.0000000 -0.0856820 0.0411856), wk = 0.0040000 k( 245) = ( 0.0000000 -0.0714017 0.0343213), wk = 0.0040000 k( 246) = ( 0.0000000 -0.0571214 0.0274571), wk = 0.0040000 k( 247) = ( 0.0000000 -0.0428410 0.0205928), wk = 0.0040000 k( 248) = ( 0.0000000 -0.0285607 0.0137285), wk = 0.0040000 k( 249) = ( 0.0000000 -0.0142803 0.0068643), wk = 0.0040000 k( 250) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 cryst. coord. k( 1) = ( 0.0000000 -0.5000000 0.0000000), wk = 0.0040000 k( 2) = ( 0.0000000 -0.4838710 0.0000000), wk = 0.0040000 k( 3) = ( 0.0000000 -0.4677419 0.0000000), wk = 0.0040000 k( 4) = ( 0.0000000 -0.4516129 -0.0000000), wk = 0.0040000 k( 5) = ( 0.0000000 -0.4354839 -0.0000000), wk = 0.0040000 k( 6) = ( 0.0000000 -0.4193548 -0.0000000), wk = 0.0040000 k( 7) = ( 0.0000000 -0.4032258 0.0000000), wk = 0.0040000 k( 8) = ( 0.0000000 -0.3870968 0.0000000), wk = 0.0040000 k( 9) = ( 0.0000000 -0.3709677 0.0000000), wk = 0.0040000 k( 10) = ( 0.0000000 -0.3548387 0.0000000), wk = 0.0040000 k( 11) = ( 0.0000000 -0.3387097 0.0000000), wk = 0.0040000 k( 12) = ( 0.0000000 -0.3225807 0.0000000), wk = 0.0040000 k( 13) = ( 0.0000000 -0.3064516 -0.0000000), wk = 0.0040000 k( 14) = ( 0.0000000 -0.2903226 -0.0000000), wk = 0.0040000 k( 15) = ( 0.0000000 -0.2741936 0.0000000), wk = 0.0040000 k( 16) = ( 0.0000000 -0.2580645 0.0000000), wk = 0.0040000 k( 17) = ( 0.0000000 -0.2419355 0.0000000), wk = 0.0040000 k( 18) = ( 0.0000000 -0.2258064 -0.0000000), wk = 0.0040000 k( 19) = ( 0.0000000 -0.2096774 -0.0000000), wk = 0.0040000 k( 20) = ( 0.0000000 -0.1935484 0.0000000), wk = 0.0040000 k( 21) = ( 0.0000000 -0.1774194 0.0000000), wk = 0.0040000 k( 22) = ( 0.0000000 -0.1612903 -0.0000000), wk = 0.0040000 k( 23) = ( 0.0000000 -0.1451613 -0.0000000), wk = 0.0040000 k( 24) = ( 0.0000000 -0.1290323 0.0000000), wk = 0.0040000 k( 25) = ( 0.0000000 -0.1129032 0.0000000), wk = 0.0040000 k( 26) = ( 0.0000000 -0.0967742 0.0000000), wk = 0.0040000 k( 27) = ( 0.0000000 -0.0806452 -0.0000000), wk = 0.0040000 k( 28) = ( 0.0000000 -0.0645161 0.0000000), wk = 0.0040000 k( 29) = ( 0.0000000 -0.0483871 0.0000000), wk = 0.0040000 k( 30) = ( 0.0000000 -0.0322581 0.0000000), wk = 0.0040000 k( 31) = ( 0.0000000 -0.0161290 0.0000000), wk = 0.0040000 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 33) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 34) = ( 0.0156250 0.0000000 -0.0000000), wk = 0.0040000 k( 35) = ( 0.0312500 0.0000000 -0.0000000), wk = 0.0040000 k( 36) = ( 0.0468750 -0.0000000 -0.0000000), wk = 0.0040000 k( 37) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0040000 k( 38) = ( 0.0781250 0.0000000 0.0000000), wk = 0.0040000 k( 39) = ( 0.0937500 -0.0000000 -0.0000000), wk = 0.0040000 k( 40) = ( 0.1093750 -0.0000000 -0.0000000), wk = 0.0040000 k( 41) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0040000 k( 42) = ( 0.1406250 -0.0000000 0.0000000), wk = 0.0040000 k( 43) = ( 0.1562500 0.0000000 0.0000000), wk = 0.0040000 k( 44) = ( 0.1718750 0.0000000 -0.0000000), wk = 0.0040000 k( 45) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0040000 k( 46) = ( 0.2031250 -0.0000000 -0.0000000), wk = 0.0040000 k( 47) = ( 0.2187500 -0.0000000 -0.0000000), wk = 0.0040000 k( 48) = ( 0.2343750 -0.0000000 -0.0000000), wk = 0.0040000 k( 49) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0040000 k( 50) = ( 0.2656250 -0.0000000 0.0000000), wk = 0.0040000 k( 51) = ( 0.2812500 -0.0000000 0.0000000), wk = 0.0040000 k( 52) = ( 0.2968750 0.0000000 -0.0000000), wk = 0.0040000 k( 53) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0040000 k( 54) = ( 0.3281250 -0.0000000 -0.0000000), wk = 0.0040000 k( 55) = ( 0.3437500 0.0000000 -0.0000000), wk = 0.0040000 k( 56) = ( 0.3593750 0.0000000 -0.0000000), wk = 0.0040000 k( 57) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0040000 k( 58) = ( 0.3906250 -0.0000000 0.0000000), wk = 0.0040000 k( 59) = ( 0.4062500 -0.0000000 -0.0000000), wk = 0.0040000 k( 60) = ( 0.4218750 -0.0000000 0.0000000), wk = 0.0040000 k( 61) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0040000 k( 62) = ( 0.4531250 -0.0000000 0.0000000), wk = 0.0040000 k( 63) = ( 0.4687500 -0.0000000 -0.0000000), wk = 0.0040000 k( 64) = ( 0.4843750 -0.0000000 -0.0000000), wk = 0.0040000 k( 65) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0040000 k( 66) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0040000 k( 67) = ( 0.4880952 -0.4880952 0.0000000), wk = 0.0040000 k( 68) = ( 0.4761905 -0.4761905 -0.0000000), wk = 0.0040000 k( 69) = ( 0.4642857 -0.4642857 -0.0000000), wk = 0.0040000 k( 70) = ( 0.4523810 -0.4523810 -0.0000000), wk = 0.0040000 k( 71) = ( 0.4404762 -0.4404762 0.0000000), wk = 0.0040000 k( 72) = ( 0.4285714 -0.4285714 -0.0000000), wk = 0.0040000 k( 73) = ( 0.4166667 -0.4166667 0.0000000), wk = 0.0040000 k( 74) = ( 0.4047619 -0.4047619 -0.0000000), wk = 0.0040000 k( 75) = ( 0.3928571 -0.3928571 -0.0000000), wk = 0.0040000 k( 76) = ( 0.3809524 -0.3809524 -0.0000000), wk = 0.0040000 k( 77) = ( 0.3690476 -0.3690476 0.0000000), wk = 0.0040000 k( 78) = ( 0.3571429 -0.3571429 0.0000000), wk = 0.0040000 k( 79) = ( 0.3452381 -0.3452381 -0.0000000), wk = 0.0040000 k( 80) = ( 0.3333333 -0.3333333 0.0000000), wk = 0.0040000 k( 81) = ( 0.3214286 -0.3214286 -0.0000000), wk = 0.0040000 k( 82) = ( 0.3095238 -0.3095238 -0.0000000), wk = 0.0040000 k( 83) = ( 0.2976190 -0.2976190 0.0000000), wk = 0.0040000 k( 84) = ( 0.2857143 -0.2857143 0.0000000), wk = 0.0040000 k( 85) = ( 0.2738095 -0.2738095 0.0000000), wk = 0.0040000 k( 86) = ( 0.2619048 -0.2619048 0.0000000), wk = 0.0040000 k( 87) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0040000 k( 88) = ( 0.2380952 -0.2380952 -0.0000000), wk = 0.0040000 k( 89) = ( 0.2261905 -0.2261905 -0.0000000), wk = 0.0040000 k( 90) = ( 0.2142857 -0.2142857 -0.0000000), wk = 0.0040000 k( 91) = ( 0.2023810 -0.2023810 -0.0000000), wk = 0.0040000 k( 92) = ( 0.1904762 -0.1904762 -0.0000000), wk = 0.0040000 k( 93) = ( 0.1785714 -0.1785714 0.0000000), wk = 0.0040000 k( 94) = ( 0.1666667 -0.1666667 -0.0000000), wk = 0.0040000 k( 95) = ( 0.1547619 -0.1547619 0.0000000), wk = 0.0040000 k( 96) = ( 0.1428571 -0.1428571 -0.0000000), wk = 0.0040000 k( 97) = ( 0.1309524 -0.1309524 0.0000000), wk = 0.0040000 k( 98) = ( 0.1190476 -0.1190476 -0.0000000), wk = 0.0040000 k( 99) = ( 0.1071429 -0.1071429 0.0000000), wk = 0.0040000 k( 100) = ( 0.0952381 -0.0952381 0.0000000), wk = 0.0040000 k( 101) = ( 0.0833333 -0.0833333 0.0000000), wk = 0.0040000 k( 102) = ( 0.0714286 -0.0714286 -0.0000000), wk = 0.0040000 k( 103) = ( 0.0595238 -0.0595238 -0.0000000), wk = 0.0040000 k( 104) = ( 0.0476191 -0.0476191 0.0000000), wk = 0.0040000 k( 105) = ( 0.0357143 -0.0357143 0.0000000), wk = 0.0040000 k( 106) = ( 0.0238095 -0.0238095 -0.0000000), wk = 0.0040000 k( 107) = ( 0.0119048 -0.0119048 -0.0000000), wk = 0.0040000 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 110) = ( -0.0138889 0.0000000 0.0138889), wk = 0.0040000 k( 111) = ( -0.0277778 0.0000000 0.0277778), wk = 0.0040000 k( 112) = ( -0.0416667 -0.0000000 0.0416667), wk = 0.0040000 k( 113) = ( -0.0555556 0.0000000 0.0555556), wk = 0.0040000 k( 114) = ( -0.0694444 0.0000000 0.0694444), wk = 0.0040000 k( 115) = ( -0.0833333 0.0000000 0.0833333), wk = 0.0040000 k( 116) = ( -0.0972222 0.0000000 0.0972222), wk = 0.0040000 k( 117) = ( -0.1111111 -0.0000000 0.1111111), wk = 0.0040000 k( 118) = ( -0.1250000 0.0000000 0.1250000), wk = 0.0040000 k( 119) = ( -0.1388889 0.0000000 0.1388889), wk = 0.0040000 k( 120) = ( -0.1527778 0.0000000 0.1527778), wk = 0.0040000 k( 121) = ( -0.1666667 0.0000000 0.1666667), wk = 0.0040000 k( 122) = ( -0.1805556 0.0000000 0.1805556), wk = 0.0040000 k( 123) = ( -0.1944444 0.0000000 0.1944444), wk = 0.0040000 k( 124) = ( -0.2083333 -0.0000000 0.2083333), wk = 0.0040000 k( 125) = ( -0.2222222 -0.0000000 0.2222222), wk = 0.0040000 k( 126) = ( -0.2361111 0.0000000 0.2361111), wk = 0.0040000 k( 127) = ( -0.2500000 0.0000000 0.2500000), wk = 0.0040000 k( 128) = ( -0.2638889 0.0000000 0.2638889), wk = 0.0040000 k( 129) = ( -0.2777778 0.0000000 0.2777778), wk = 0.0040000 k( 130) = ( -0.2916667 0.0000000 0.2916667), wk = 0.0040000 k( 131) = ( -0.3055556 0.0000000 0.3055556), wk = 0.0040000 k( 132) = ( -0.3194444 0.0000000 0.3194444), wk = 0.0040000 k( 133) = ( -0.3333333 0.0000000 0.3333333), wk = 0.0040000 k( 134) = ( -0.3472222 -0.0000000 0.3472222), wk = 0.0040000 k( 135) = ( -0.3611111 -0.0000000 0.3611111), wk = 0.0040000 k( 136) = ( -0.3750000 0.0000000 0.3750000), wk = 0.0040000 k( 137) = ( -0.3888889 0.0000000 0.3888889), wk = 0.0040000 k( 138) = ( -0.4027778 0.0000000 0.4027778), wk = 0.0040000 k( 139) = ( -0.4166667 -0.0000000 0.4166667), wk = 0.0040000 k( 140) = ( -0.4305556 0.0000000 0.4305556), wk = 0.0040000 k( 141) = ( -0.4444444 -0.0000000 0.4444444), wk = 0.0040000 k( 142) = ( -0.4583333 -0.0000000 0.4583333), wk = 0.0040000 k( 143) = ( -0.4722222 0.0000000 0.4722222), wk = 0.0040000 k( 144) = ( -0.4861111 0.0000000 0.4861111), wk = 0.0040000 k( 145) = ( -0.5000000 0.0000000 0.5000000), wk = 0.0040000 k( 146) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0040000 k( 147) = ( -0.4891304 -0.4891304 0.4891304), wk = 0.0040000 k( 148) = ( -0.4782609 -0.4782609 0.4782609), wk = 0.0040000 k( 149) = ( -0.4673913 -0.4673913 0.4673913), wk = 0.0040000 k( 150) = ( -0.4565217 -0.4565217 0.4565217), wk = 0.0040000 k( 151) = ( -0.4456522 -0.4456522 0.4456522), wk = 0.0040000 k( 152) = ( -0.4347826 -0.4347826 0.4347826), wk = 0.0040000 k( 153) = ( -0.4239130 -0.4239130 0.4239130), wk = 0.0040000 k( 154) = ( -0.4130435 -0.4130435 0.4130435), wk = 0.0040000 k( 155) = ( -0.4021739 -0.4021739 0.4021739), wk = 0.0040000 k( 156) = ( -0.3913044 -0.3913044 0.3913044), wk = 0.0040000 k( 157) = ( -0.3804348 -0.3804348 0.3804348), wk = 0.0040000 k( 158) = ( -0.3695652 -0.3695652 0.3695652), wk = 0.0040000 k( 159) = ( -0.3586956 -0.3586956 0.3586956), wk = 0.0040000 k( 160) = ( -0.3478261 -0.3478261 0.3478261), wk = 0.0040000 k( 161) = ( -0.3369565 -0.3369565 0.3369565), wk = 0.0040000 k( 162) = ( -0.3260870 -0.3260870 0.3260870), wk = 0.0040000 k( 163) = ( -0.3152174 -0.3152174 0.3152174), wk = 0.0040000 k( 164) = ( -0.3043478 -0.3043478 0.3043478), wk = 0.0040000 k( 165) = ( -0.2934783 -0.2934783 0.2934783), wk = 0.0040000 k( 166) = ( -0.2826087 -0.2826087 0.2826087), wk = 0.0040000 k( 167) = ( -0.2717391 -0.2717391 0.2717391), wk = 0.0040000 k( 168) = ( -0.2608696 -0.2608696 0.2608696), wk = 0.0040000 k( 169) = ( -0.2500000 -0.2500000 0.2500000), wk = 0.0040000 k( 170) = ( -0.2391304 -0.2391304 0.2391304), wk = 0.0040000 k( 171) = ( -0.2282609 -0.2282609 0.2282609), wk = 0.0040000 k( 172) = ( -0.2173913 -0.2173913 0.2173913), wk = 0.0040000 k( 173) = ( -0.2065217 -0.2065217 0.2065217), wk = 0.0040000 k( 174) = ( -0.1956522 -0.1956522 0.1956522), wk = 0.0040000 k( 175) = ( -0.1847826 -0.1847826 0.1847826), wk = 0.0040000 k( 176) = ( -0.1739130 -0.1739130 0.1739130), wk = 0.0040000 k( 177) = ( -0.1630435 -0.1630435 0.1630435), wk = 0.0040000 k( 178) = ( -0.1521739 -0.1521739 0.1521739), wk = 0.0040000 k( 179) = ( -0.1413043 -0.1413043 0.1413043), wk = 0.0040000 k( 180) = ( -0.1304348 -0.1304348 0.1304348), wk = 0.0040000 k( 181) = ( -0.1195652 -0.1195652 0.1195652), wk = 0.0040000 k( 182) = ( -0.1086957 -0.1086957 0.1086957), wk = 0.0040000 k( 183) = ( -0.0978261 -0.0978261 0.0978261), wk = 0.0040000 k( 184) = ( -0.0869565 -0.0869565 0.0869565), wk = 0.0040000 k( 185) = ( -0.0760870 -0.0760870 0.0760870), wk = 0.0040000 k( 186) = ( -0.0652174 -0.0652174 0.0652174), wk = 0.0040000 k( 187) = ( -0.0543478 -0.0543478 0.0543478), wk = 0.0040000 k( 188) = ( -0.0434783 -0.0434783 0.0434783), wk = 0.0040000 k( 189) = ( -0.0326087 -0.0326087 0.0326087), wk = 0.0040000 k( 190) = ( -0.0217391 -0.0217391 0.0217391), wk = 0.0040000 k( 191) = ( -0.0108696 -0.0108696 0.0108696), wk = 0.0040000 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 194) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0040000 k( 195) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0040000 k( 196) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0040000 k( 197) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0040000 k( 198) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0040000 k( 199) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0040000 k( 200) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0040000 k( 201) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0040000 k( 202) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0040000 k( 203) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0040000 k( 204) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0040000 k( 205) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0040000 k( 206) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0040000 k( 207) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0040000 k( 208) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0040000 k( 209) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0040000 k( 210) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0040000 k( 211) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0040000 k( 212) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0040000 k( 213) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0040000 k( 214) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0040000 k( 215) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0040000 k( 216) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040000 k( 217) = ( 0.0000000 -0.5000000 0.5000000), wk = 0.0040000 k( 218) = ( 0.0000000 -0.4848485 0.4848485), wk = 0.0040000 k( 219) = ( 0.0000000 -0.4696970 0.4696970), wk = 0.0040000 k( 220) = ( 0.0000000 -0.4545455 0.4545455), wk = 0.0040000 k( 221) = ( 0.0000000 -0.4393939 0.4393939), wk = 0.0040000 k( 222) = ( 0.0000000 -0.4242424 0.4242424), wk = 0.0040000 k( 223) = ( 0.0000000 -0.4090909 0.4090909), wk = 0.0040000 k( 224) = ( 0.0000000 -0.3939394 0.3939394), wk = 0.0040000 k( 225) = ( 0.0000000 -0.3787879 0.3787879), wk = 0.0040000 k( 226) = ( 0.0000000 -0.3636364 0.3636364), wk = 0.0040000 k( 227) = ( 0.0000000 -0.3484849 0.3484849), wk = 0.0040000 k( 228) = ( 0.0000000 -0.3333333 0.3333333), wk = 0.0040000 k( 229) = ( 0.0000000 -0.3181818 0.3181818), wk = 0.0040000 k( 230) = ( 0.0000000 -0.3030303 0.3030303), wk = 0.0040000 k( 231) = ( 0.0000000 -0.2878788 0.2878788), wk = 0.0040000 k( 232) = ( 0.0000000 -0.2727273 0.2727273), wk = 0.0040000 k( 233) = ( 0.0000000 -0.2575758 0.2575758), wk = 0.0040000 k( 234) = ( 0.0000000 -0.2424242 0.2424242), wk = 0.0040000 k( 235) = ( 0.0000000 -0.2272727 0.2272727), wk = 0.0040000 k( 236) = ( 0.0000000 -0.2121212 0.2121212), wk = 0.0040000 k( 237) = ( 0.0000000 -0.1969697 0.1969697), wk = 0.0040000 k( 238) = ( 0.0000000 -0.1818182 0.1818182), wk = 0.0040000 k( 239) = ( 0.0000000 -0.1666667 0.1666667), wk = 0.0040000 k( 240) = ( 0.0000000 -0.1515151 0.1515151), wk = 0.0040000 k( 241) = ( 0.0000000 -0.1363636 0.1363636), wk = 0.0040000 k( 242) = ( 0.0000000 -0.1212121 0.1212121), wk = 0.0040000 k( 243) = ( 0.0000000 -0.1060606 0.1060606), wk = 0.0040000 k( 244) = ( 0.0000000 -0.0909091 0.0909091), wk = 0.0040000 k( 245) = ( 0.0000000 -0.0757576 0.0757576), wk = 0.0040000 k( 246) = ( 0.0000000 -0.0606061 0.0606061), wk = 0.0040000 k( 247) = ( 0.0000000 -0.0454546 0.0454546), wk = 0.0040000 k( 248) = ( 0.0000000 -0.0303030 0.0303030), wk = 0.0040000 k( 249) = ( 0.0000000 -0.0151515 0.0151515), wk = 0.0040000 k( 250) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 Dense grid: 125301 G-vectors FFT dimensions: ( 60, 60, 81) Smooth grid: 54671 G-vectors FFT dimensions: ( 45, 45, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.46 Mb ( 406, 74) NL pseudopotentials 0.57 Mb ( 203, 184) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 3481) G-vector shells 0.03 Mb ( 3443) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.83 Mb ( 406, 296) Each subspace H/S matrix 0.08 Mb ( 74, 74) Each matrix 0.42 Mb ( 184, 2, 74) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./BH4C3O2.save/charge-density.dat negative rho (up, down): 4.362E-04 0.000E+00 Starting wfc are 112 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 6.2 secs Computing kpt #: 4 total cpu time spent up to now is 7.2 secs Computing kpt #: 5 total cpu time spent up to now is 8.3 secs Computing kpt #: 6 total cpu time spent up to now is 9.3 secs Computing kpt #: 7 total cpu time spent up to now is 10.4 secs Computing kpt #: 8 total cpu time spent up to now is 11.4 secs Computing kpt #: 9 total cpu time spent up to now is 12.5 secs Computing kpt #: 10 total cpu time spent up to now is 13.6 secs Computing kpt #: 11 total cpu time spent up to now is 14.6 secs Computing kpt #: 12 total cpu time spent up to now is 15.7 secs Computing kpt #: 13 total cpu time spent up to now is 16.7 secs Computing kpt #: 14 total cpu time spent up to now is 17.8 secs Computing kpt #: 15 total cpu time spent up to now is 18.8 secs Computing kpt #: 16 total cpu time spent up to now is 19.9 secs Computing kpt #: 17 total cpu time spent up to now is 20.9 secs Computing kpt #: 18 total cpu time spent up to now is 22.0 secs Computing kpt #: 19 total cpu time spent up to now is 23.0 secs Computing kpt #: 20 total cpu time spent up to now is 24.1 secs Computing kpt #: 21 total cpu time spent up to now is 25.1 secs Computing kpt #: 22 total cpu time spent up to now is 26.1 secs Computing kpt #: 23 total cpu time spent up to now is 27.2 secs Computing kpt #: 24 total cpu time spent up to now is 28.2 secs Computing kpt #: 25 total cpu time spent up to now is 29.2 secs Computing kpt #: 26 total cpu time spent up to now is 30.3 secs Computing kpt #: 27 total cpu time spent up to now is 31.3 secs Computing kpt #: 28 total cpu time spent up to now is 32.3 secs Computing kpt #: 29 total cpu time spent up to now is 33.4 secs Computing kpt #: 30 total cpu time spent up to now is 34.4 secs Computing kpt #: 31 total cpu time spent up to now is 35.4 secs Computing kpt #: 32 total cpu time spent up to now is 36.5 secs Computing kpt #: 33 total cpu time spent up to now is 37.4 secs Computing kpt #: 34 total cpu time spent up to now is 38.4 secs Computing kpt #: 35 total cpu time spent up to now is 39.5 secs Computing kpt #: 36 total cpu time spent up to now is 40.5 secs Computing kpt #: 37 total cpu time spent up to now is 41.5 secs Computing kpt #: 38 total cpu time spent up to now is 42.6 secs Computing kpt #: 39 total cpu time spent up to now is 43.6 secs Computing kpt #: 40 total cpu time spent up to now is 44.6 secs Computing kpt #: 41 total cpu time spent up to now is 45.7 secs Computing kpt #: 42 total cpu time spent up to now is 46.7 secs Computing kpt #: 43 total cpu time spent up to now is 47.7 secs Computing kpt #: 44 total cpu time spent up to now is 48.8 secs Computing kpt #: 45 total cpu time spent up to now is 49.9 secs Computing kpt #: 46 total cpu time spent up to now is 51.0 secs Computing kpt #: 47 total cpu time spent up to now is 52.0 secs Computing kpt #: 48 total cpu time spent up to now is 53.1 secs Computing kpt #: 49 total cpu time spent up to now is 54.2 secs Computing kpt #: 50 total cpu time spent up to now is 55.2 secs Computing kpt #: 51 total cpu time spent up to now is 56.3 secs Computing kpt #: 52 total cpu time spent up to now is 57.3 secs Computing kpt #: 53 total cpu time spent up to now is 58.4 secs Computing kpt #: 54 total cpu time spent up to now is 59.5 secs Computing kpt #: 55 total cpu time spent up to now is 60.5 secs Computing kpt #: 56 total cpu time spent up to now is 61.6 secs Computing kpt #: 57 total cpu time spent up to now is 62.6 secs Computing kpt #: 58 total cpu time spent up to now is 63.7 secs Computing kpt #: 59 total cpu time spent up to now is 64.7 secs Computing kpt #: 60 total cpu time spent up to now is 65.7 secs Computing kpt #: 61 total cpu time spent up to now is 66.6 secs Computing kpt #: 62 total cpu time spent up to now is 67.5 secs Computing kpt #: 63 total cpu time spent up to now is 68.4 secs Computing kpt #: 64 total cpu time spent up to now is 69.3 secs Computing kpt #: 65 total cpu time spent up to now is 70.2 secs Computing kpt #: 66 total cpu time spent up to now is 71.2 secs Computing kpt #: 67 total cpu time spent up to now is 72.3 secs Computing kpt #: 68 total cpu time spent up to now is 73.4 secs Computing kpt #: 69 total cpu time spent up to now is 74.5 secs Computing kpt #: 70 total cpu time spent up to now is 75.5 secs Computing kpt #: 71 total cpu time spent up to now is 76.6 secs Computing kpt #: 72 total cpu time spent up to now is 77.6 secs Computing kpt #: 73 total cpu time spent up to now is 78.7 secs Computing kpt #: 74 total cpu time spent up to now is 79.7 secs Computing kpt #: 75 total cpu time spent up to now is 80.8 secs Computing kpt #: 76 total cpu time spent up to now is 81.8 secs Computing kpt #: 77 total cpu time spent up to now is 82.9 secs Computing kpt #: 78 total cpu time spent up to now is 83.9 secs Computing kpt #: 79 total cpu time spent up to now is 85.0 secs Computing kpt #: 80 total cpu time spent up to now is 86.0 secs Computing kpt #: 81 total cpu time spent up to now is 87.1 secs Computing kpt #: 82 total cpu time spent up to now is 88.1 secs Computing kpt #: 83 total cpu time spent up to now is 89.2 secs Computing kpt #: 84 total cpu time spent up to now is 90.2 secs Computing kpt #: 85 total cpu time spent up to now is 91.3 secs Computing kpt #: 86 total cpu time spent up to now is 92.3 secs Computing kpt #: 87 total cpu time spent up to now is 93.4 secs Computing kpt #: 88 total cpu time spent up to now is 94.4 secs Computing kpt #: 89 total cpu time spent up to now is 95.5 secs Computing kpt #: 90 total cpu time spent up to now is 96.6 secs Computing kpt #: 91 total cpu time spent up to now is 97.6 secs Computing kpt #: 92 total cpu time spent up to now is 98.7 secs Computing kpt #: 93 total cpu time spent up to now is 99.8 secs Computing kpt #: 94 total cpu time spent up to now is 100.8 secs Computing kpt #: 95 total cpu time spent up to now is 101.9 secs Computing kpt #: 96 total cpu time spent up to now is 102.9 secs Computing kpt #: 97 total cpu time spent up to now is 104.0 secs Computing kpt #: 98 total cpu time spent up to now is 105.0 secs Computing kpt #: 99 total cpu time spent up to now is 106.1 secs Computing kpt #: 100 total cpu time spent up to now is 107.1 secs Computing kpt #: 101 total cpu time spent up to now is 108.1 secs Computing kpt #: 102 total cpu time spent up to now is 109.2 secs Computing kpt #: 103 total cpu time spent up to now is 110.2 secs Computing kpt #: 104 total cpu time spent up to now is 111.2 secs Computing kpt #: 105 total cpu time spent up to now is 112.3 secs Computing kpt #: 106 total cpu time spent up to now is 113.3 secs Computing kpt #: 107 total cpu time spent up to now is 114.3 secs Computing kpt #: 108 total cpu time spent up to now is 115.4 secs Computing kpt #: 109 total cpu time spent up to now is 116.4 secs Computing kpt #: 110 total cpu time spent up to now is 117.4 secs Computing kpt #: 111 total cpu time spent up to now is 118.5 secs Computing kpt #: 112 total cpu time spent up to now is 119.5 secs Computing kpt #: 113 total cpu time spent up to now is 120.5 secs Computing kpt #: 114 total cpu time spent up to now is 121.6 secs Computing kpt #: 115 total cpu time spent up to now is 122.5 secs Computing kpt #: 116 total cpu time spent up to now is 123.4 secs Computing kpt #: 117 total cpu time spent up to now is 124.3 secs Computing kpt #: 118 total cpu time spent up to now is 125.3 secs Computing kpt #: 119 total cpu time spent up to now is 126.2 secs Computing kpt #: 120 total cpu time spent up to now is 127.1 secs Computing kpt #: 121 total cpu time spent up to now is 128.0 secs Computing kpt #: 122 total cpu time spent up to now is 128.9 secs Computing kpt #: 123 total cpu time spent up to now is 129.8 secs Computing kpt #: 124 total cpu time spent up to now is 130.7 secs Computing kpt #: 125 total cpu time spent up to now is 131.6 secs Computing kpt #: 126 total cpu time spent up to now is 132.5 secs Computing kpt #: 127 total cpu time spent up to now is 133.4 secs Computing kpt #: 128 total cpu time spent up to now is 134.3 secs Computing kpt #: 129 total cpu time spent up to now is 135.2 secs Computing kpt #: 130 total cpu time spent up to now is 136.1 secs Computing kpt #: 131 total cpu time spent up to now is 137.0 secs Computing kpt #: 132 total cpu time spent up to now is 137.9 secs Computing kpt #: 133 total cpu time spent up to now is 138.8 secs Computing kpt #: 134 total cpu time spent up to now is 139.7 secs Computing kpt #: 135 total cpu time spent up to now is 140.6 secs Computing kpt #: 136 total cpu time spent up to now is 141.5 secs Computing kpt #: 137 total cpu time spent up to now is 142.4 secs Computing kpt #: 138 total cpu time spent up to now is 143.3 secs Computing kpt #: 139 total cpu time spent up to now is 144.2 secs Computing kpt #: 140 total cpu time spent up to now is 145.1 secs Computing kpt #: 141 total cpu time spent up to now is 146.0 secs Computing kpt #: 142 total cpu time spent up to now is 147.0 secs Computing kpt #: 143 total cpu time spent up to now is 147.9 secs Computing kpt #: 144 total cpu time spent up to now is 149.0 secs Computing kpt #: 145 total cpu time spent up to now is 149.9 secs Computing kpt #: 146 total cpu time spent up to now is 150.8 secs Computing kpt #: 147 total cpu time spent up to now is 151.7 secs Computing kpt #: 148 total cpu time spent up to now is 152.6 secs Computing kpt #: 149 total cpu time spent up to now is 153.5 secs Computing kpt #: 150 total cpu time spent up to now is 154.4 secs Computing kpt #: 151 total cpu time spent up to now is 155.4 secs Computing kpt #: 152 total cpu time spent up to now is 156.3 secs Computing kpt #: 153 total cpu time spent up to now is 157.2 secs Computing kpt #: 154 total cpu time spent up to now is 158.1 secs Computing kpt #: 155 total cpu time spent up to now is 159.0 secs Computing kpt #: 156 total cpu time spent up to now is 160.0 secs Computing kpt #: 157 total cpu time spent up to now is 160.9 secs Computing kpt #: 158 total cpu time spent up to now is 161.8 secs Computing kpt #: 159 total cpu time spent up to now is 162.8 secs Computing kpt #: 160 total cpu time spent up to now is 163.7 secs Computing kpt #: 161 total cpu time spent up to now is 164.6 secs Computing kpt #: 162 total cpu time spent up to now is 165.7 secs Computing kpt #: 163 total cpu time spent up to now is 166.7 secs Computing kpt #: 164 total cpu time spent up to now is 167.8 secs Computing kpt #: 165 total cpu time spent up to now is 168.8 secs Computing kpt #: 166 total cpu time spent up to now is 169.9 secs Computing kpt #: 167 total cpu time spent up to now is 170.9 secs Computing kpt #: 168 total cpu time spent up to now is 172.0 secs Computing kpt #: 169 total cpu time spent up to now is 173.0 secs Computing kpt #: 170 total cpu time spent up to now is 174.0 secs Computing kpt #: 171 total cpu time spent up to now is 175.1 secs Computing kpt #: 172 total cpu time spent up to now is 176.1 secs Computing kpt #: 173 total cpu time spent up to now is 177.1 secs Computing kpt #: 174 total cpu time spent up to now is 178.1 secs Computing kpt #: 175 total cpu time spent up to now is 179.2 secs Computing kpt #: 176 total cpu time spent up to now is 180.1 secs Computing kpt #: 177 total cpu time spent up to now is 181.1 secs Computing kpt #: 178 total cpu time spent up to now is 182.1 secs Computing kpt #: 179 total cpu time spent up to now is 183.1 secs Computing kpt #: 180 total cpu time spent up to now is 184.1 secs Computing kpt #: 181 total cpu time spent up to now is 185.1 secs Computing kpt #: 182 total cpu time spent up to now is 186.1 secs Computing kpt #: 183 total cpu time spent up to now is 187.2 secs Computing kpt #: 184 total cpu time spent up to now is 188.2 secs Computing kpt #: 185 total cpu time spent up to now is 189.2 secs Computing kpt #: 186 total cpu time spent up to now is 190.2 secs Computing kpt #: 187 total cpu time spent up to now is 191.2 secs Computing kpt #: 188 total cpu time spent up to now is 192.2 secs Computing kpt #: 189 total cpu time spent up to now is 193.2 secs Computing kpt #: 190 total cpu time spent up to now is 194.3 secs Computing kpt #: 191 total cpu time spent up to now is 195.3 secs Computing kpt #: 192 total cpu time spent up to now is 196.3 secs Computing kpt #: 193 total cpu time spent up to now is 197.4 secs Computing kpt #: 194 total cpu time spent up to now is 198.4 secs Computing kpt #: 195 total cpu time spent up to now is 199.4 secs Computing kpt #: 196 total cpu time spent up to now is 200.4 secs Computing kpt #: 197 total cpu time spent up to now is 201.4 secs Computing kpt #: 198 total cpu time spent up to now is 202.3 secs Computing kpt #: 199 total cpu time spent up to now is 203.2 secs Computing kpt #: 200 total cpu time spent up to now is 204.1 secs Computing kpt #: 201 total cpu time spent up to now is 205.0 secs Computing kpt #: 202 total cpu time spent up to now is 205.9 secs Computing kpt #: 203 total cpu time spent up to now is 206.7 secs Computing kpt #: 204 total cpu time spent up to now is 207.6 secs Computing kpt #: 205 total cpu time spent up to now is 208.4 secs Computing kpt #: 206 total cpu time spent up to now is 209.3 secs Computing kpt #: 207 total cpu time spent up to now is 210.2 secs Computing kpt #: 208 total cpu time spent up to now is 211.0 secs Computing kpt #: 209 total cpu time spent up to now is 211.9 secs Computing kpt #: 210 total cpu time spent up to now is 212.7 secs Computing kpt #: 211 total cpu time spent up to now is 213.7 secs Computing kpt #: 212 total cpu time spent up to now is 214.5 secs Computing kpt #: 213 total cpu time spent up to now is 215.4 secs Computing kpt #: 214 total cpu time spent up to now is 216.2 secs Computing kpt #: 215 total cpu time spent up to now is 217.1 secs Computing kpt #: 216 total cpu time spent up to now is 217.9 secs Computing kpt #: 217 total cpu time spent up to now is 218.8 secs Computing kpt #: 218 total cpu time spent up to now is 219.7 secs Computing kpt #: 219 total cpu time spent up to now is 220.6 secs Computing kpt #: 220 total cpu time spent up to now is 221.5 secs Computing kpt #: 221 total cpu time spent up to now is 222.4 secs Computing kpt #: 222 total cpu time spent up to now is 223.4 secs Computing kpt #: 223 total cpu time spent up to now is 224.3 secs Computing kpt #: 224 total cpu time spent up to now is 225.2 secs Computing kpt #: 225 total cpu time spent up to now is 226.2 secs Computing kpt #: 226 total cpu time spent up to now is 227.2 secs Computing kpt #: 227 total cpu time spent up to now is 228.2 secs Computing kpt #: 228 total cpu time spent up to now is 229.3 secs Computing kpt #: 229 total cpu time spent up to now is 230.3 secs Computing kpt #: 230 total cpu time spent up to now is 231.4 secs Computing kpt #: 231 total cpu time spent up to now is 232.5 secs Computing kpt #: 232 total cpu time spent up to now is 233.5 secs Computing kpt #: 233 total cpu time spent up to now is 234.6 secs Computing kpt #: 234 total cpu time spent up to now is 235.6 secs Computing kpt #: 235 total cpu time spent up to now is 236.7 secs Computing kpt #: 236 total cpu time spent up to now is 237.7 secs Computing kpt #: 237 total cpu time spent up to now is 238.7 secs Computing kpt #: 238 total cpu time spent up to now is 239.7 secs Computing kpt #: 239 total cpu time spent up to now is 240.8 secs Computing kpt #: 240 total cpu time spent up to now is 241.8 secs Computing kpt #: 241 total cpu time spent up to now is 242.8 secs Computing kpt #: 242 total cpu time spent up to now is 243.9 secs Computing kpt #: 243 total cpu time spent up to now is 244.9 secs Computing kpt #: 244 total cpu time spent up to now is 245.9 secs Computing kpt #: 245 total cpu time spent up to now is 247.0 secs Computing kpt #: 246 total cpu time spent up to now is 248.0 secs Computing kpt #: 247 total cpu time spent up to now is 249.0 secs Computing kpt #: 248 total cpu time spent up to now is 250.1 secs Computing kpt #: 249 total cpu time spent up to now is 251.1 secs Computing kpt #: 250 total cpu time spent up to now is 252.1 secs ethr = 1.61E-08, avg # of iterations = 20.5 total cpu time spent up to now is 252.1 secs End of band structure calculation k = 0.0000-0.4713-0.1276 ( 6838 PWs) bands (ev): -20.6378 -20.6378 -20.3840 -20.3840 -19.6068 -19.6068 -19.3838 -19.3838 -14.7113 -14.7113 -12.0838 -12.0838 -12.0277 -12.0277 -8.9118 -8.9118 -8.6952 -8.6952 -8.4193 -8.4193 -8.1337 -8.1337 -7.5661 -7.5661 -7.4451 -7.4451 -6.1867 -6.1867 -5.2235 -5.2235 -4.5826 -4.5826 -3.9826 -3.9826 -3.7392 -3.7392 -3.5989 -3.5989 -3.1178 -3.1178 -3.1011 -3.1011 -2.4541 -2.4541 -2.2102 -2.2102 -2.0326 -2.0326 -2.0112 -2.0112 -1.5920 -1.5920 -1.5248 -1.5248 -1.1914 -1.1914 -0.5436 -0.5436 0.0000 0.0000 0.4946 0.4946 4.7732 4.7732 5.3824 5.3824 6.6300 6.6300 7.8092 7.8092 7.9748 7.9748 8.7926 8.7926 k = 0.0000-0.4560-0.1235 ( 6841 PWs) bands (ev): -20.6379 -20.6379 -20.3839 -20.3839 -19.6068 -19.6068 -19.3837 -19.3837 -14.7113 -14.7113 -12.0838 -12.0838 -12.0275 -12.0275 -8.9120 -8.9120 -8.6955 -8.6955 -8.4191 -8.4191 -8.1337 -8.1337 -7.5669 -7.5669 -7.4443 -7.4443 -6.1865 -6.1865 -5.2233 -5.2233 -4.5823 -4.5823 -3.9822 -3.9822 -3.7401 -3.7401 -3.5983 -3.5983 -3.1201 -3.1201 -3.0995 -3.0995 -2.4541 -2.4541 -2.2101 -2.2101 -2.0322 -2.0322 -2.0107 -2.0107 -1.5923 -1.5923 -1.5245 -1.5245 -1.1915 -1.1915 -0.5442 -0.5442 0.0001 0.0001 0.4937 0.4937 4.7738 4.7738 5.3805 5.3805 6.6315 6.6315 7.7791 7.7791 8.0014 8.0014 8.7972 8.7972 k = 0.0000-0.4408-0.1193 ( 6841 PWs) bands (ev): -20.6381 -20.6381 -20.3837 -20.3837 -19.6069 -19.6069 -19.3837 -19.3837 -14.7115 -14.7115 -12.0838 -12.0838 -12.0267 -12.0267 -8.9128 -8.9128 -8.6963 -8.6963 -8.4186 -8.4186 -8.1338 -8.1338 -7.5691 -7.5691 -7.4419 -7.4419 -6.1860 -6.1860 -5.2225 -5.2225 -4.5816 -4.5816 -3.9811 -3.9811 -3.7427 -3.7427 -3.5964 -3.5964 -3.1259 -3.1259 -3.0959 -3.0959 -2.4542 -2.4542 -2.2100 -2.2100 -2.0316 -2.0316 -2.0089 -2.0089 -1.5931 -1.5931 -1.5234 -1.5234 -1.1919 -1.1919 -0.5458 -0.5458 0.0002 0.0002 0.4910 0.4910 4.7755 4.7755 5.3746 5.3746 6.6358 6.6358 7.7159 7.7159 8.0541 8.0541 8.8110 8.8110 k = 0.0000-0.4256-0.1152 ( 6840 PWs) bands (ev): -20.6385 -20.6385 -20.3834 -20.3834 -19.6070 -19.6070 -19.3836 -19.3836 -14.7119 -14.7119 -12.0837 -12.0837 -12.0253 -12.0253 -8.9140 -8.9140 -8.6976 -8.6976 -8.4178 -8.4178 -8.1339 -8.1339 -7.5725 -7.5725 -7.4381 -7.4381 -6.1852 -6.1852 -5.2213 -5.2213 -4.5803 -4.5803 -3.9792 -3.9792 -3.7470 -3.7470 -3.5934 -3.5934 -3.1338 -3.1338 -3.0915 -3.0915 -2.4542 -2.4542 -2.2098 -2.2098 -2.0322 -2.0322 -2.0042 -2.0042 -1.5946 -1.5946 -1.5217 -1.5217 -1.1924 -1.1924 -0.5485 -0.5485 0.0005 0.0005 0.4866 0.4866 4.7783 4.7783 5.3650 5.3650 6.6429 6.6429 7.6422 7.6422 8.1101 8.1101 8.8340 8.8340 k = 0.0000-0.4104-0.1111 ( 6835 PWs) bands (ev): -20.6389 -20.6389 -20.3830 -20.3830 -19.6071 -19.6071 -19.3835 -19.3835 -14.7124 -14.7124 -12.0836 -12.0836 -12.0235 -12.0235 -8.9157 -8.9157 -8.6994 -8.6994 -8.4166 -8.4166 -8.1340 -8.1340 -7.5770 -7.5770 -7.4331 -7.4331 -6.1840 -6.1840 -5.2196 -5.2196 -4.5786 -4.5786 -3.9765 -3.9765 -3.7528 -3.7528 -3.5895 -3.5895 -3.1434 -3.1434 -3.0867 -3.0867 -2.4543 -2.4543 -2.2096 -2.2096 -2.0349 -2.0349 -1.9960 -1.9960 -1.5965 -1.5965 -1.5194 -1.5194 -1.1933 -1.1933 -0.5522 -0.5522 0.0008 0.0008 0.4805 0.4805 4.7821 4.7821 5.3520 5.3520 6.6525 6.6525 7.5645 7.5645 8.1630 8.1630 8.8660 8.8660 k = 0.0000-0.3952-0.1070 ( 6832 PWs) bands (ev): -20.6395 -20.6395 -20.3824 -20.3824 -19.6073 -19.6073 -19.3833 -19.3833 -14.7130 -14.7130 -12.0835 -12.0835 -12.0212 -12.0212 -8.9179 -8.9179 -8.7016 -8.7016 -8.4151 -8.4151 -8.1342 -8.1342 -7.5822 -7.5822 -7.4273 -7.4273 -6.1825 -6.1825 -5.2175 -5.2175 -4.5764 -4.5764 -3.9731 -3.9731 -3.7600 -3.7600 -3.5847 -3.5847 -3.1545 -3.1545 -3.0813 -3.0813 -2.4544 -2.4544 -2.2096 -2.2096 -2.0395 -2.0395 -1.9844 -1.9844 -1.5989 -1.5989 -1.5165 -1.5165 -1.1944 -1.1944 -0.5570 -0.5570 0.0013 0.0013 0.4729 0.4729 4.7867 4.7867 5.3359 5.3359 6.6644 6.6644 7.4852 7.4852 8.2106 8.2106 8.9064 8.9064 k = 0.0000-0.3800-0.1029 ( 6834 PWs) bands (ev): -20.6402 -20.6402 -20.3817 -20.3817 -19.6075 -19.6075 -19.3831 -19.3831 -14.7138 -14.7138 -12.0834 -12.0834 -12.0183 -12.0183 -8.9205 -8.9205 -8.7043 -8.7043 -8.4134 -8.4134 -8.1345 -8.1345 -7.5880 -7.5880 -7.4208 -7.4208 -6.1806 -6.1806 -5.2150 -5.2150 -4.5738 -4.5738 -3.9688 -3.9688 -3.7684 -3.7684 -3.5792 -3.5792 -3.1670 -3.1670 -3.0755 -3.0755 -2.4544 -2.4544 -2.2096 -2.2096 -2.0457 -2.0457 -1.9700 -1.9700 -1.6016 -1.6016 -1.5130 -1.5130 -1.1957 -1.1957 -0.5629 -0.5629 0.0017 0.0017 0.4637 0.4637 4.7921 4.7921 5.3172 5.3172 6.6782 6.6782 7.4055 7.4055 8.2525 8.2525 8.9537 8.9537 k = 0.0000-0.3648-0.0988 ( 6838 PWs) bands (ev): -20.6410 -20.6410 -20.3810 -20.3810 -19.6078 -19.6078 -19.3829 -19.3829 -14.7147 -14.7147 -12.0833 -12.0833 -12.0151 -12.0151 -8.9236 -8.9236 -8.7072 -8.7072 -8.4115 -8.4115 -8.1347 -8.1347 -7.5941 -7.5941 -7.4139 -7.4139 -6.1783 -6.1783 -5.2123 -5.2123 -4.5707 -4.5707 -3.9638 -3.9638 -3.7780 -3.7780 -3.5732 -3.5732 -3.1805 -3.1805 -3.0692 -3.0692 -2.4544 -2.4544 -2.2099 -2.2099 -2.0531 -2.0531 -1.9532 -1.9532 -1.6048 -1.6048 -1.5089 -1.5089 -1.1972 -1.1972 -0.5697 -0.5697 0.0023 0.0023 0.4532 0.4532 4.7979 4.7979 5.2965 5.2965 6.6936 6.6936 7.3261 7.3261 8.2887 8.2887 9.0001 9.0001 k = 0.0000-0.3496-0.0947 ( 6838 PWs) bands (ev): -20.6419 -20.6419 -20.3801 -20.3801 -19.6080 -19.6080 -19.3826 -19.3826 -14.7156 -14.7156 -12.0831 -12.0831 -12.0114 -12.0114 -8.9271 -8.9271 -8.7105 -8.7105 -8.4095 -8.4095 -8.1351 -8.1351 -7.6005 -7.6005 -7.4067 -7.4067 -6.1756 -6.1756 -5.2093 -5.2093 -4.5673 -4.5673 -3.9580 -3.9580 -3.7885 -3.7885 -3.5669 -3.5669 -3.1950 -3.1950 -3.0624 -3.0624 -2.4544 -2.4544 -2.2104 -2.2104 -2.0617 -2.0617 -1.9344 -1.9344 -1.6082 -1.6082 -1.5044 -1.5044 -1.1991 -1.1991 -0.5775 -0.5775 0.0028 0.0028 0.4415 0.4415 4.8040 4.8040 5.2743 5.2743 6.7101 6.7101 7.2476 7.2476 8.3199 8.3199 9.0103 9.0103 k = 0.0000-0.3344-0.0905 ( 6841 PWs) bands (ev): -20.6429 -20.6429 -20.3791 -20.3791 -19.6083 -19.6083 -19.3823 -19.3823 -14.7167 -14.7167 -12.0829 -12.0829 -12.0074 -12.0074 -8.9310 -8.9310 -8.7139 -8.7139 -8.4073 -8.4073 -8.1355 -8.1355 -7.6069 -7.6069 -7.3994 -7.3994 -6.1725 -6.1725 -5.2062 -5.2062 -4.5635 -4.5635 -3.9514 -3.9514 -3.7999 -3.7999 -3.5604 -3.5604 -3.2100 -3.2100 -3.0551 -3.0551 -2.4544 -2.4544 -2.2111 -2.2111 -2.0711 -2.0711 -1.9139 -1.9139 -1.6119 -1.6119 -1.4993 -1.4993 -1.2011 -1.2011 -0.5864 -0.5864 0.0033 0.0033 0.4288 0.4288 4.8100 4.8100 5.2511 5.2511 6.7275 6.7275 7.1706 7.1706 8.3467 8.3467 9.0065 9.0065 k = 0.0000-0.3192-0.0864 ( 6837 PWs) bands (ev): -20.6440 -20.6440 -20.3781 -20.3781 -19.6086 -19.6086 -19.3820 -19.3820 -14.7179 -14.7179 -12.0827 -12.0827 -12.0030 -12.0030 -8.9352 -8.9352 -8.7175 -8.7175 -8.4050 -8.4050 -8.1359 -8.1359 -7.6132 -7.6132 -7.3920 -7.3920 -6.1689 -6.1689 -5.2030 -5.2030 -4.5593 -4.5593 -3.9440 -3.9440 -3.8121 -3.8121 -3.5538 -3.5538 -3.2254 -3.2254 -3.0475 -3.0475 -2.4543 -2.4543 -2.2120 -2.2120 -2.0813 -2.0813 -1.8921 -1.8921 -1.6158 -1.6158 -1.4937 -1.4937 -1.2034 -1.2034 -0.5961 -0.5961 0.0038 0.0038 0.4151 0.4151 4.8156 4.8156 5.2278 5.2278 6.7452 6.7452 7.0956 7.0956 8.3698 8.3698 9.0008 9.0008 k = 0.0000-0.3040-0.0823 ( 6841 PWs) bands (ev): -20.6451 -20.6451 -20.3770 -20.3770 -19.6090 -19.6090 -19.3817 -19.3817 -14.7191 -14.7191 -12.0825 -12.0825 -11.9983 -11.9983 -8.9397 -8.9397 -8.7213 -8.7213 -8.4028 -8.4028 -8.1364 -8.1364 -7.6195 -7.6195 -7.3846 -7.3846 -6.1648 -6.1648 -5.1998 -5.1998 -4.5548 -4.5548 -3.9358 -3.9358 -3.8248 -3.8248 -3.5474 -3.5474 -3.2408 -3.2408 -3.0397 -3.0397 -2.4542 -2.4542 -2.2131 -2.2131 -2.0921 -2.0921 -1.8692 -1.8692 -1.6200 -1.6200 -1.4875 -1.4875 -1.2059 -1.2059 -0.6067 -0.6067 0.0042 0.0042 0.4008 0.4008 4.8201 4.8201 5.2051 5.2051 6.7624 6.7624 7.0234 7.0234 8.3897 8.3897 8.9944 8.9944 k = 0.0000-0.2888-0.0782 ( 6838 PWs) bands (ev): -20.6463 -20.6463 -20.3759 -20.3759 -19.6094 -19.6094 -19.3814 -19.3814 -14.7204 -14.7204 -12.0823 -12.0823 -11.9934 -11.9934 -8.9445 -8.9445 -8.7250 -8.7250 -8.4004 -8.4004 -8.1370 -8.1370 -7.6257 -7.6257 -7.3774 -7.3774 -6.1603 -6.1603 -5.1966 -5.1966 -4.5501 -4.5501 -3.9270 -3.9270 -3.8380 -3.8380 -3.5413 -3.5413 -3.2560 -3.2560 -3.0317 -3.0317 -2.4540 -2.4540 -2.2145 -2.2145 -2.1034 -2.1034 -1.8456 -1.8456 -1.6243 -1.6243 -1.4808 -1.4808 -1.2086 -1.2086 -0.6182 -0.6182 0.0044 0.0044 0.3860 0.3860 4.8233 4.8233 5.1836 5.1836 6.7776 6.7776 6.9554 6.9554 8.4070 8.4070 8.9881 8.9881 k = 0.0000-0.2736-0.0741 ( 6833 PWs) bands (ev): -20.6475 -20.6475 -20.3747 -20.3747 -19.6097 -19.6097 -19.3810 -19.3810 -14.7217 -14.7217 -12.0821 -12.0821 -11.9883 -11.9883 -8.9495 -8.9495 -8.7288 -8.7288 -8.3981 -8.3981 -8.1376 -8.1376 -7.6316 -7.6316 -7.3704 -7.3704 -6.1553 -6.1553 -5.1936 -5.1936 -4.5451 -4.5451 -3.9177 -3.9177 -3.8513 -3.8513 -3.5358 -3.5358 -3.2705 -3.2705 -3.0237 -3.0237 -2.4538 -2.4538 -2.2160 -2.2160 -2.1150 -2.1150 -1.8216 -1.8216 -1.6287 -1.6287 -1.4736 -1.4736 -1.2115 -1.2115 -0.6305 -0.6305 0.0045 0.0045 0.3709 0.3709 4.8243 4.8243 5.1643 5.1643 6.7860 6.7860 6.8968 6.8968 8.4218 8.4218 8.9824 8.9824 k = 0.0000-0.2584-0.0700 ( 6830 PWs) bands (ev): -20.6487 -20.6487 -20.3736 -20.3736 -19.6101 -19.6101 -19.3806 -19.3806 -14.7231 -14.7231 -12.0818 -12.0818 -11.9830 -11.9830 -8.9547 -8.9547 -8.7326 -8.7326 -8.3959 -8.3959 -8.1382 -8.1382 -7.6373 -7.6373 -7.3636 -7.3636 -6.1499 -6.1499 -5.1908 -5.1908 -4.5400 -4.5400 -3.9083 -3.9083 -3.8644 -3.8644 -3.5310 -3.5310 -3.2842 -3.2842 -3.0159 -3.0159 -2.4536 -2.4536 -2.2176 -2.2176 -2.1267 -2.1267 -1.7974 -1.7974 -1.6333 -1.6333 -1.4658 -1.4658 -1.2144 -1.2144 -0.6436 -0.6436 0.0044 0.0044 0.3556 0.3556 4.8228 4.8228 5.1478 5.1478 6.7704 6.7704 6.8644 6.8644 8.4343 8.4343 8.9782 8.9782 k = 0.0000-0.2432-0.0658 ( 6832 PWs) bands (ev): -20.6500 -20.6500 -20.3724 -20.3724 -19.6105 -19.6105 -19.3803 -19.3803 -14.7245 -14.7245 -12.0816 -12.0816 -11.9776 -11.9776 -8.9600 -8.9600 -8.7362 -8.7362 -8.3937 -8.3937 -8.1389 -8.1389 -7.6427 -7.6427 -7.3571 -7.3571 -6.1441 -6.1441 -5.1883 -5.1883 -4.5347 -4.5347 -3.9004 -3.9004 -3.8754 -3.8754 -3.5273 -3.5273 -3.2965 -3.2965 -3.0083 -3.0083 -2.4534 -2.4534 -2.2194 -2.2194 -2.1383 -2.1383 -1.7733 -1.7733 -1.6379 -1.6379 -1.4575 -1.4575 -1.2175 -1.2175 -0.6574 -0.6574 0.0040 0.0040 0.3405 0.3405 4.8183 4.8183 5.1347 5.1347 6.7245 6.7245 6.8648 6.8648 8.4445 8.4445 8.9758 8.9758 k = 0.0000-0.2280-0.0617 ( 6836 PWs) bands (ev): -20.6512 -20.6512 -20.3712 -20.3712 -19.6109 -19.6109 -19.3799 -19.3799 -14.7259 -14.7259 -12.0813 -12.0813 -11.9722 -11.9722 -8.9654 -8.9654 -8.7398 -8.7398 -8.3917 -8.3917 -8.1396 -8.1396 -7.6478 -7.6478 -7.3509 -7.3509 -6.1379 -6.1379 -5.1861 -5.1861 -4.5293 -4.5293 -3.9014 -3.9014 -3.8769 -3.8769 -3.5249 -3.5249 -3.3073 -3.3073 -3.0012 -3.0012 -2.4532 -2.4532 -2.2213 -2.2213 -2.1497 -2.1497 -1.7494 -1.7494 -1.6425 -1.6425 -1.4487 -1.4487 -1.2204 -1.2204 -0.6718 -0.6718 0.0033 0.0033 0.3256 0.3256 4.8106 4.8106 5.1253 5.1253 6.6692 6.6692 6.8770 6.8770 8.4525 8.4525 8.9759 8.9759 k = 0.0000-0.2128-0.0576 ( 6827 PWs) bands (ev): -20.6524 -20.6524 -20.3700 -20.3700 -19.6112 -19.6112 -19.3795 -19.3795 -14.7273 -14.7273 -12.0811 -12.0811 -11.9668 -11.9668 -8.9708 -8.9708 -8.7433 -8.7433 -8.3897 -8.3897 -8.1404 -8.1404 -7.6527 -7.6527 -7.3451 -7.3451 -6.1315 -6.1315 -5.1842 -5.1842 -4.5239 -4.5239 -3.9118 -3.9118 -3.8684 -3.8684 -3.5241 -3.5241 -3.3161 -3.3161 -2.9947 -2.9947 -2.4530 -2.4530 -2.2233 -2.2233 -2.1607 -2.1607 -1.7262 -1.7262 -1.6472 -1.6472 -1.4395 -1.4395 -1.2232 -1.2232 -0.6868 -0.6868 0.0023 0.0023 0.3113 0.3113 4.7999 4.7999 5.1196 5.1196 6.6136 6.6136 6.8919 6.8919 8.4583 8.4583 8.9789 8.9789 k = 0.0000-0.1976-0.0535 ( 6836 PWs) bands (ev): -20.6536 -20.6536 -20.3689 -20.3689 -19.6116 -19.6116 -19.3792 -19.3792 -14.7287 -14.7287 -12.0809 -12.0809 -11.9615 -11.9615 -8.9761 -8.9761 -8.7466 -8.7466 -8.3878 -8.3878 -8.1412 -8.1412 -7.6572 -7.6572 -7.3397 -7.3397 -6.1248 -6.1248 -5.1827 -5.1827 -4.5185 -4.5185 -3.9242 -3.9242 -3.8573 -3.8573 -3.5250 -3.5250 -3.3228 -3.3228 -2.9889 -2.9889 -2.4528 -2.4528 -2.2253 -2.2253 -2.1712 -2.1712 -1.7037 -1.7037 -1.6517 -1.6517 -1.4301 -1.4301 -1.2257 -1.2257 -0.7024 -0.7024 0.0009 0.0009 0.2975 0.2975 4.7868 4.7868 5.1173 5.1173 6.5601 6.5601 6.9073 6.9073 8.4619 8.4619 8.9851 8.9851 k = 0.0000-0.1824-0.0494 ( 6837 PWs) bands (ev): -20.6548 -20.6548 -20.3678 -20.3678 -19.6120 -19.6120 -19.3788 -19.3788 -14.7300 -14.7300 -12.0806 -12.0806 -11.9564 -11.9564 -8.9813 -8.9813 -8.7498 -8.7498 -8.3860 -8.3860 -8.1419 -8.1419 -7.6613 -7.6613 -7.3346 -7.3346 -6.1180 -6.1180 -5.1816 -5.1816 -4.5132 -4.5132 -3.9366 -3.9366 -3.8454 -3.8454 -3.5277 -3.5277 -3.3273 -3.3273 -2.9839 -2.9839 -2.4527 -2.4527 -2.2274 -2.2274 -2.1810 -2.1810 -1.6822 -1.6822 -1.6562 -1.6562 -1.4206 -1.4206 -1.2276 -1.2276 -0.7183 -0.7183 -0.0008 -0.0008 0.2846 0.2846 4.7717 4.7717 5.1176 5.1176 6.5095 6.5095 6.9223 6.9223 8.4636 8.4636 8.9946 8.9946 k = 0.0000-0.1672-0.0453 ( 6834 PWs) bands (ev): -20.6559 -20.6559 -20.3668 -20.3668 -19.6123 -19.6123 -19.3785 -19.3785 -14.7313 -14.7313 -12.0804 -12.0804 -11.9513 -11.9513 -8.9863 -8.9863 -8.7528 -8.7528 -8.3844 -8.3844 -8.1427 -8.1427 -7.6652 -7.6652 -7.3299 -7.3299 -6.1111 -6.1111 -5.1808 -5.1808 -4.5080 -4.5080 -3.9486 -3.9486 -3.8333 -3.8333 -3.5321 -3.5321 -3.3297 -3.3297 -2.9797 -2.9797 -2.4527 -2.4527 -2.2294 -2.2294 -2.1901 -2.1901 -1.6635 -1.6635 -1.6588 -1.6588 -1.4112 -1.4112 -1.2288 -1.2288 -0.7345 -0.7345 -0.0028 -0.0028 0.2726 0.2726 4.7555 4.7555 5.1201 5.1201 6.4621 6.4621 6.9367 6.9367 8.4634 8.4634 9.0074 9.0074 k = 0.0000-0.1520-0.0412 ( 6837 PWs) bands (ev): -20.6569 -20.6569 -20.3658 -20.3658 -19.6127 -19.6127 -19.3782 -19.3782 -14.7325 -14.7325 -12.0802 -12.0802 -11.9466 -11.9466 -8.9911 -8.9911 -8.7555 -8.7555 -8.3830 -8.3830 -8.1434 -8.1434 -7.6687 -7.6687 -7.3257 -7.3257 -6.1042 -6.1042 -5.1804 -5.1804 -4.5030 -4.5030 -3.9599 -3.9599 -3.8213 -3.8213 -3.5378 -3.5378 -3.3302 -3.3302 -2.9765 -2.9765 -2.4527 -2.4527 -2.2314 -2.2314 -2.1983 -2.1983 -1.6652 -1.6652 -1.6421 -1.6421 -1.4024 -1.4024 -1.2290 -1.2290 -0.7509 -0.7509 -0.0052 -0.0052 0.2616 0.2616 4.7389 4.7389 5.1241 5.1241 6.4182 6.4182 6.9502 6.9502 8.4618 8.4618 9.0235 9.0235 k = 0.0000-0.1368-0.0370 ( 6838 PWs) bands (ev): -20.6579 -20.6579 -20.3649 -20.3649 -19.6130 -19.6130 -19.3779 -19.3779 -14.7336 -14.7336 -12.0800 -12.0800 -11.9421 -11.9421 -8.9957 -8.9957 -8.7581 -8.7581 -8.3816 -8.3816 -8.1441 -8.1441 -7.6719 -7.6719 -7.3218 -7.3218 -6.0976 -6.0976 -5.1804 -5.1804 -4.4983 -4.4983 -3.9703 -3.9703 -3.8094 -3.8094 -3.5447 -3.5447 -3.3292 -3.3292 -2.9741 -2.9741 -2.4528 -2.4528 -2.2333 -2.2333 -2.2055 -2.2055 -1.6691 -1.6691 -1.6244 -1.6244 -1.3944 -1.3944 -1.2279 -1.2279 -0.7673 -0.7673 -0.0077 -0.0077 0.2517 0.2517 4.7224 4.7224 5.1290 5.1290 6.3781 6.3781 6.9628 6.9628 8.4589 8.4589 9.0424 9.0424 k = 0.0000-0.1216-0.0329 ( 6835 PWs) bands (ev): -20.6588 -20.6588 -20.3640 -20.3640 -19.6133 -19.6133 -19.3776 -19.3776 -14.7347 -14.7347 -12.0798 -12.0798 -11.9379 -11.9379 -8.9998 -8.9998 -8.7604 -8.7604 -8.3805 -8.3805 -8.1447 -8.1447 -7.6747 -7.6747 -7.3184 -7.3184 -6.0911 -6.0911 -5.1805 -5.1805 -4.4939 -4.4939 -3.9798 -3.9798 -3.7980 -3.7980 -3.5521 -3.5521 -3.3270 -3.3270 -2.9725 -2.9725 -2.4530 -2.4530 -2.2350 -2.2350 -2.2119 -2.2119 -1.6727 -1.6727 -1.6080 -1.6080 -1.3877 -1.3877 -1.2252 -1.2252 -0.7835 -0.7835 -0.0105 -0.0105 0.2429 0.2429 4.7067 4.7067 5.1344 5.1344 6.3418 6.3418 6.9742 6.9742 8.4553 8.4553 9.0638 9.0638 k = 0.0000-0.1064-0.0288 ( 6836 PWs) bands (ev): -20.6596 -20.6596 -20.3632 -20.3632 -19.6135 -19.6135 -19.3774 -19.3774 -14.7356 -14.7356 -12.0796 -12.0796 -11.9341 -11.9341 -9.0037 -9.0037 -8.7625 -8.7625 -8.3794 -8.3794 -8.1453 -8.1453 -7.6772 -7.6772 -7.3154 -7.3154 -6.0851 -6.0851 -5.1809 -5.1809 -4.4899 -4.4899 -3.9883 -3.9883 -3.7872 -3.7872 -3.5599 -3.5599 -3.3241 -3.3241 -2.9718 -2.9718 -2.4532 -2.4532 -2.2366 -2.2366 -2.2173 -2.2173 -1.6761 -1.6761 -1.5932 -1.5932 -1.3824 -1.3824 -1.2210 -1.2210 -0.7993 -0.7993 -0.0133 -0.0133 0.2352 0.2352 4.6919 4.6919 5.1398 5.1398 6.3095 6.3095 6.9844 6.9844 8.4512 8.4512 9.0872 9.0872 k = 0.0000-0.0912-0.0247 ( 6837 PWs) bands (ev): -20.6603 -20.6603 -20.3626 -20.3626 -19.6138 -19.6138 -19.3772 -19.3772 -14.7364 -14.7364 -12.0795 -12.0795 -11.9308 -11.9308 -9.0071 -9.0071 -8.7643 -8.7643 -8.3785 -8.3785 -8.1459 -8.1459 -7.6793 -7.6793 -7.3127 -7.3127 -6.0796 -6.0796 -5.1814 -5.1814 -4.4863 -4.4863 -3.9957 -3.9957 -3.7772 -3.7772 -3.5675 -3.5675 -3.3208 -3.3208 -2.9716 -2.9716 -2.4534 -2.4534 -2.2380 -2.2380 -2.2219 -2.2219 -1.6791 -1.6791 -1.5800 -1.5800 -1.3787 -1.3787 -1.2154 -1.2154 -0.8144 -0.8144 -0.0161 -0.0161 0.2287 0.2287 4.6786 4.6786 5.1451 5.1451 6.2813 6.2813 6.9934 6.9934 8.4469 8.4469 9.1120 9.1120 k = 0.0000-0.0760-0.0206 ( 6844 PWs) bands (ev): -20.6609 -20.6609 -20.3620 -20.3620 -19.6140 -19.6140 -19.3770 -19.3770 -14.7372 -14.7372 -12.0794 -12.0794 -11.9279 -11.9279 -9.0100 -9.0100 -8.7658 -8.7658 -8.3777 -8.3777 -8.1464 -8.1464 -7.6811 -7.6811 -7.3106 -7.3106 -6.0747 -6.0747 -5.1820 -5.1820 -4.4832 -4.4832 -4.0020 -4.0020 -3.7682 -3.7682 -3.5747 -3.5747 -3.3174 -3.3174 -2.9719 -2.9719 -2.4537 -2.4537 -2.2391 -2.2391 -2.2257 -2.2257 -1.6818 -1.6818 -1.5685 -1.5685 -1.3764 -1.3764 -1.2089 -1.2089 -0.8284 -0.8284 -0.0187 -0.0187 0.2233 0.2233 4.6670 4.6670 5.1499 5.1499 6.2572 6.2572 7.0011 7.0011 8.4428 8.4428 9.1374 9.1374 k = 0.0000-0.0608-0.0165 ( 6840 PWs) bands (ev): -20.6614 -20.6614 -20.3615 -20.3615 -19.6141 -19.6141 -19.3768 -19.3768 -14.7378 -14.7378 -12.0792 -12.0792 -11.9254 -11.9254 -9.0125 -9.0125 -8.7671 -8.7671 -8.3771 -8.3771 -8.1468 -8.1468 -7.6826 -7.6826 -7.3088 -7.3088 -6.0705 -6.0705 -5.1826 -5.1826 -4.4806 -4.4806 -4.0071 -4.0071 -3.7603 -3.7603 -3.5812 -3.5812 -3.3142 -3.3142 -2.9724 -2.9724 -2.4539 -2.4539 -2.2399 -2.2399 -2.2288 -2.2288 -1.6840 -1.6840 -1.5588 -1.5588 -1.3753 -1.3753 -1.2019 -1.2019 -0.8409 -0.8409 -0.0211 -0.0211 0.2190 0.2190 4.6572 4.6572 5.1540 5.1540 6.2375 6.2375 7.0075 7.0075 8.4391 8.4391 9.1622 9.1622 k = 0.0000-0.0456-0.0123 ( 6840 PWs) bands (ev): -20.6618 -20.6618 -20.3611 -20.3611 -19.6143 -19.6143 -19.3767 -19.3767 -14.7382 -14.7382 -12.0792 -12.0792 -11.9235 -11.9235 -9.0144 -9.0144 -8.7681 -8.7681 -8.3766 -8.3766 -8.1471 -8.1471 -7.6837 -7.6837 -7.3074 -7.3074 -6.0672 -6.0672 -5.1831 -5.1831 -4.4786 -4.4786 -4.0111 -4.0111 -3.7539 -3.7539 -3.5866 -3.5866 -3.3115 -3.3115 -2.9731 -2.9731 -2.4542 -2.4542 -2.2405 -2.2405 -2.2312 -2.2312 -1.6857 -1.6857 -1.5510 -1.5510 -1.3750 -1.3750 -1.1954 -1.1954 -0.8514 -0.8514 -0.0230 -0.0230 0.2157 0.2157 4.6495 4.6495 5.1574 5.1574 6.2220 6.2220 7.0124 7.0124 8.4360 8.4360 9.1852 9.1852 k = 0.0000-0.0304-0.0082 ( 6840 PWs) bands (ev): -20.6621 -20.6621 -20.3609 -20.3609 -19.6143 -19.6143 -19.3766 -19.3766 -14.7386 -14.7386 -12.0791 -12.0791 -11.9221 -11.9221 -9.0158 -9.0158 -8.7688 -8.7688 -8.3763 -8.3763 -8.1473 -8.1473 -7.6845 -7.6845 -7.3064 -7.3064 -6.0647 -6.0647 -5.1836 -5.1836 -4.4771 -4.4771 -4.0139 -4.0139 -3.7491 -3.7491 -3.5907 -3.5907 -3.3094 -3.3094 -2.9737 -2.9737 -2.4543 -2.4543 -2.2409 -2.2409 -2.2329 -2.2329 -1.6870 -1.6870 -1.5454 -1.5454 -1.3751 -1.3751 -1.1900 -1.1900 -0.8594 -0.8594 -0.0245 -0.0245 0.2133 0.2133 4.6439 4.6439 5.1599 5.1599 6.2110 6.2110 7.0160 7.0160 8.4336 8.4336 9.2043 9.2043 k = 0.0000-0.0152-0.0041 ( 6838 PWs) bands (ev): -20.6623 -20.6623 -20.3607 -20.3607 -19.6144 -19.6144 -19.3766 -19.3766 -14.7388 -14.7388 -12.0791 -12.0791 -11.9213 -11.9213 -9.0167 -9.0167 -8.7693 -8.7693 -8.3760 -8.3760 -8.1474 -8.1474 -7.6850 -7.6850 -7.3058 -7.3058 -6.0632 -6.0632 -5.1839 -5.1839 -4.4762 -4.4762 -4.0156 -4.0156 -3.7462 -3.7462 -3.5932 -3.5932 -3.3080 -3.3080 -2.9742 -2.9742 -2.4544 -2.4544 -2.2411 -2.2411 -2.2340 -2.2340 -1.6877 -1.6877 -1.5419 -1.5419 -1.3754 -1.3754 -1.1865 -1.1865 -0.8645 -0.8645 -0.0254 -0.0254 0.2120 0.2120 4.6405 4.6405 5.1614 5.1614 6.2043 6.2043 7.0182 7.0182 8.4322 8.4322 9.2173 9.2173 k = 0.0000 0.0000 0.0000 ( 6833 PWs) bands (ev): -20.6623 -20.6623 -20.3606 -20.3606 -19.6144 -19.6144 -19.3765 -19.3765 -14.7389 -14.7389 -12.0790 -12.0790 -11.9210 -11.9210 -9.0169 -9.0169 -8.7694 -8.7694 -8.3760 -8.3760 -8.1475 -8.1475 -7.6852 -7.6852 -7.3056 -7.3056 -6.0627 -6.0627 -5.1839 -5.1839 -4.4759 -4.4759 -4.0162 -4.0162 -3.7451 -3.7451 -3.5941 -3.5941 -3.3076 -3.3076 -2.9743 -2.9743 -2.4545 -2.4545 -2.2411 -2.2411 -2.2343 -2.2343 -1.6880 -1.6880 -1.5407 -1.5407 -1.3755 -1.3755 -1.1853 -1.1853 -0.8662 -0.8662 -0.0257 -0.0257 0.2115 0.2115 4.6393 4.6393 5.1619 5.1619 6.2021 6.2021 7.0189 7.0189 8.4317 8.4317 9.2219 9.2219 k = 0.0000 0.0000 0.0000 ( 6833 PWs) bands (ev): -20.6623 -20.6623 -20.3606 -20.3606 -19.6144 -19.6144 -19.3765 -19.3765 -14.7389 -14.7389 -12.0790 -12.0790 -11.9210 -11.9210 -9.0169 -9.0169 -8.7694 -8.7694 -8.3760 -8.3760 -8.1475 -8.1475 -7.6852 -7.6852 -7.3056 -7.3056 -6.0627 -6.0627 -5.1839 -5.1839 -4.4759 -4.4759 -4.0162 -4.0162 -3.7451 -3.7451 -3.5941 -3.5941 -3.3076 -3.3076 -2.9743 -2.9743 -2.4545 -2.4545 -2.2411 -2.2411 -2.2343 -2.2343 -1.6880 -1.6880 -1.5407 -1.5407 -1.3755 -1.3755 -1.1853 -1.1853 -0.8662 -0.8662 -0.0257 -0.0257 0.2115 0.2115 4.6393 4.6393 5.1619 5.1619 6.2021 6.2021 7.0189 7.0189 8.4317 8.4317 9.2219 9.2219 k = 0.0156 0.0010 0.0025 ( 6837 PWs) bands (ev): -20.6620 -20.6620 -20.3603 -20.3603 -19.6149 -19.6149 -19.3770 -19.3770 -14.7387 -14.7387 -12.0794 -12.0794 -11.9211 -11.9211 -9.0166 -9.0166 -8.7693 -8.7693 -8.3751 -8.3751 -8.1468 -8.1468 -7.6849 -7.6849 -7.3057 -7.3057 -6.0627 -6.0627 -5.1841 -5.1841 -4.4759 -4.4759 -4.0160 -4.0160 -3.7457 -3.7457 -3.5936 -3.5936 -3.3077 -3.3077 -2.9746 -2.9746 -2.4561 -2.4561 -2.2428 -2.2428 -2.2355 -2.2355 -1.6882 -1.6882 -1.5401 -1.5401 -1.3754 -1.3754 -1.1853 -1.1853 -0.8660 -0.8660 -0.0241 -0.0241 0.2113 0.2113 4.6389 4.6389 5.1635 5.1635 6.2042 6.2042 7.0188 7.0188 8.4306 8.4306 9.2225 9.2225 k = 0.0312 0.0021 0.0050 ( 6841 PWs) bands (ev): -20.6609 -20.6609 -20.3592 -20.3592 -19.6165 -19.6165 -19.3784 -19.3784 -14.7381 -14.7381 -12.0803 -12.0803 -11.9213 -11.9213 -9.0156 -9.0156 -8.7689 -8.7689 -8.3727 -8.3727 -8.1448 -8.1448 -7.6841 -7.6841 -7.3061 -7.3061 -6.0625 -6.0625 -5.1846 -5.1846 -4.4759 -4.4759 -4.0153 -4.0153 -3.7475 -3.7475 -3.5923 -3.5923 -3.3081 -3.3081 -2.9753 -2.9753 -2.4611 -2.4611 -2.2476 -2.2476 -2.2392 -2.2392 -1.6887 -1.6887 -1.5383 -1.5383 -1.3753 -1.3753 -1.1854 -1.1854 -0.8653 -0.8653 -0.0192 -0.0192 0.2107 0.2107 4.6375 4.6375 5.1682 5.1682 6.2103 6.2103 7.0183 7.0183 8.4275 8.4275 9.2242 9.2242 k = 0.0469 0.0031 0.0076 ( 6843 PWs) bands (ev): -20.6590 -20.6590 -20.3575 -20.3575 -19.6191 -19.6191 -19.3808 -19.3808 -14.7372 -14.7372 -12.0820 -12.0820 -11.9216 -11.9216 -9.0140 -9.0140 -8.7682 -8.7682 -8.3686 -8.3686 -8.1415 -8.1415 -7.6827 -7.6827 -7.3067 -7.3067 -6.0622 -6.0622 -5.1854 -5.1854 -4.4758 -4.4758 -4.0142 -4.0142 -3.7504 -3.7504 -3.5900 -3.5900 -3.3088 -3.3088 -2.9765 -2.9765 -2.4692 -2.4692 -2.2553 -2.2553 -2.2454 -2.2454 -1.6895 -1.6895 -1.5354 -1.5354 -1.3751 -1.3751 -1.1856 -1.1856 -0.8643 -0.8643 -0.0112 -0.0112 0.2098 0.2098 4.6352 4.6352 5.1760 5.1760 6.2206 6.2206 7.0176 7.0176 8.4223 8.4223 9.2269 9.2269 k = 0.0625 0.0041 0.0101 ( 6841 PWs) bands (ev): -20.6564 -20.6564 -20.3551 -20.3551 -19.6227 -19.6227 -19.3840 -19.3840 -14.7359 -14.7359 -12.0843 -12.0843 -11.9220 -11.9220 -9.0118 -9.0118 -8.7672 -8.7672 -8.3629 -8.3629 -8.1368 -8.1368 -7.6807 -7.6807 -7.3075 -7.3075 -6.0617 -6.0617 -5.1865 -5.1865 -4.4756 -4.4756 -4.0127 -4.0127 -3.7545 -3.7545 -3.5869 -3.5869 -3.3099 -3.3099 -2.9783 -2.9783 -2.4803 -2.4803 -2.2656 -2.2656 -2.2540 -2.2540 -1.6906 -1.6906 -1.5316 -1.5316 -1.3750 -1.3750 -1.1860 -1.1860 -0.8628 -0.8628 -0.0003 -0.0003 0.2087 0.2087 4.6319 4.6319 5.1870 5.1870 6.2350 6.2350 7.0167 7.0167 8.4152 8.4152 9.2304 9.2304 k = 0.0781 0.0052 0.0126 ( 6841 PWs) bands (ev): -20.6531 -20.6531 -20.3520 -20.3520 -19.6272 -19.6272 -19.3882 -19.3882 -14.7342 -14.7342 -12.0872 -12.0872 -11.9225 -11.9225 -9.0092 -9.0092 -8.7659 -8.7659 -8.3556 -8.3556 -8.1309 -8.1309 -7.6782 -7.6782 -7.3086 -7.3086 -6.0611 -6.0611 -5.1878 -5.1878 -4.4755 -4.4755 -4.0108 -4.0108 -3.7596 -3.7596 -3.5831 -3.5831 -3.3114 -3.3114 -2.9807 -2.9807 -2.4940 -2.4940 -2.2783 -2.2783 -2.2649 -2.2649 -1.6920 -1.6920 -1.5270 -1.5270 -1.3749 -1.3749 -1.1864 -1.1864 -0.8610 -0.8610 0.0132 0.0132 0.2077 0.2077 4.6276 4.6276 5.2010 5.2010 6.2533 6.2533 7.0155 7.0155 8.4063 8.4063 9.2345 9.2345 k = 0.0938 0.0062 0.0151 ( 6835 PWs) bands (ev): -20.6491 -20.6491 -20.3483 -20.3483 -19.6328 -19.6328 -19.3933 -19.3933 -14.7322 -14.7322 -12.0909 -12.0909 -11.9229 -11.9229 -9.0062 -9.0062 -8.7641 -8.7641 -8.3468 -8.3468 -8.1236 -8.1236 -7.6751 -7.6751 -7.3099 -7.3099 -6.0604 -6.0604 -5.1894 -5.1894 -4.4753 -4.4753 -4.0085 -4.0085 -3.7658 -3.7658 -3.5786 -3.5786 -3.3133 -3.3133 -2.9839 -2.9839 -2.5100 -2.5100 -2.2930 -2.2930 -2.2777 -2.2777 -1.6935 -1.6935 -1.5218 -1.5218 -1.3749 -1.3749 -1.1871 -1.1871 -0.8589 -0.8589 0.0286 0.0286 0.2071 0.2071 4.6223 4.6223 5.2181 5.2181 6.2754 6.2754 7.0140 7.0140 8.3959 8.3959 9.2388 9.2388 k = 0.1094 0.0073 0.0177 ( 6833 PWs) bands (ev): -20.6443 -20.6443 -20.3439 -20.3439 -19.6393 -19.6393 -19.3992 -19.3992 -14.7299 -14.7299 -12.0953 -12.0953 -11.9233 -11.9233 -9.0029 -9.0029 -8.7619 -8.7619 -8.3367 -8.3367 -8.1152 -8.1152 -7.6716 -7.6716 -7.3115 -7.3115 -6.0596 -6.0596 -5.1913 -5.1913 -4.4750 -4.4750 -4.0059 -4.0059 -3.7730 -3.7730 -3.5735 -3.5735 -3.3158 -3.3158 -2.9879 -2.9879 -2.5280 -2.5280 -2.3095 -2.3095 -2.2923 -2.2923 -1.6952 -1.6952 -1.5163 -1.5163 -1.3752 -1.3752 -1.1879 -1.1879 -0.8565 -0.8565 0.0454 0.0454 0.2075 0.2075 4.6160 4.6160 5.2381 5.2381 6.3014 6.3014 7.0123 7.0123 8.3842 8.3842 9.2427 9.2427 k = 0.1250 0.0083 0.0202 ( 6833 PWs) bands (ev): -20.6390 -20.6390 -20.3388 -20.3388 -19.6466 -19.6466 -19.4059 -19.4059 -14.7273 -14.7273 -12.1004 -12.1004 -11.9236 -11.9236 -8.9996 -8.9996 -8.7592 -8.7592 -8.3252 -8.3252 -8.1055 -8.1055 -7.6675 -7.6675 -7.3132 -7.3132 -6.0586 -6.0586 -5.1933 -5.1933 -4.4748 -4.4748 -4.0030 -4.0030 -3.7811 -3.7811 -3.5679 -3.5679 -3.3189 -3.3189 -2.9930 -2.9930 -2.5474 -2.5474 -2.3274 -2.3274 -2.3082 -2.3082 -1.6969 -1.6969 -1.5106 -1.5106 -1.3758 -1.3758 -1.1890 -1.1890 -0.8539 -0.8539 0.0624 0.0624 0.2097 0.2097 4.6086 4.6086 5.2610 5.2610 6.3310 6.3310 7.0104 7.0104 8.3713 8.3713 9.2454 9.2454 k = 0.1406 0.0093 0.0227 ( 6835 PWs) bands (ev): -20.6329 -20.6329 -20.3332 -20.3332 -19.6548 -19.6548 -19.4134 -19.4134 -14.7243 -14.7243 -12.1061 -12.1061 -11.9238 -11.9238 -8.9962 -8.9962 -8.7560 -8.7560 -8.3125 -8.3125 -8.0947 -8.0947 -7.6629 -7.6629 -7.3152 -7.3152 -6.0575 -6.0575 -5.1955 -5.1955 -4.4744 -4.4744 -3.9998 -3.9998 -3.7902 -3.7902 -3.5620 -3.5620 -3.3227 -3.3227 -2.9993 -2.9993 -2.5676 -2.5676 -2.3466 -2.3466 -2.3252 -2.3252 -1.6986 -1.6986 -1.5050 -1.5050 -1.3768 -1.3768 -1.1903 -1.1903 -0.8512 -0.8512 0.0782 0.0782 0.2151 0.2151 4.6002 4.6002 5.2865 5.2865 6.3640 6.3640 7.0083 7.0083 8.3574 8.3574 9.2452 9.2452 k = 0.1562 0.0104 0.0252 ( 6834 PWs) bands (ev): -20.6263 -20.6263 -20.3270 -20.3270 -19.6639 -19.6639 -19.4217 -19.4217 -14.7212 -14.7212 -12.1125 -12.1125 -11.9238 -11.9238 -8.9930 -8.9930 -8.7521 -8.7521 -8.2986 -8.2986 -8.0827 -8.0827 -7.6578 -7.6578 -7.3174 -7.3174 -6.0562 -6.0562 -5.1979 -5.1979 -4.4741 -4.4741 -3.9965 -3.9965 -3.8001 -3.8001 -3.5558 -3.5558 -3.3274 -3.3274 -3.0071 -3.0071 -2.5882 -2.5882 -2.3666 -2.3666 -2.3428 -2.3428 -1.7003 -1.7003 -1.4995 -1.4995 -1.3781 -1.3781 -1.1919 -1.1919 -0.8483 -0.8483 0.0911 0.0911 0.2250 0.2250 4.5908 4.5908 5.3147 5.3147 6.4004 6.4004 7.0061 7.0061 8.3426 8.3426 9.2396 9.2396 k = 0.1719 0.0114 0.0278 ( 6829 PWs) bands (ev): -20.6191 -20.6191 -20.3203 -20.3203 -19.6736 -19.6736 -19.4306 -19.4306 -14.7178 -14.7178 -12.1196 -12.1196 -11.9236 -11.9236 -8.9901 -8.9901 -8.7476 -8.7476 -8.2838 -8.2838 -8.0698 -8.0698 -7.6523 -7.6523 -7.3197 -7.3197 -6.0548 -6.0548 -5.2003 -5.2003 -4.4737 -4.4737 -3.9930 -3.9930 -3.8107 -3.8107 -3.5495 -3.5495 -3.3330 -3.3330 -3.0166 -3.0166 -2.6084 -2.6084 -2.3871 -2.3871 -2.3608 -2.3608 -1.7018 -1.7018 -1.4944 -1.4944 -1.3800 -1.3800 -1.1939 -1.1939 -0.8453 -0.8453 0.0999 0.0999 0.2406 0.2406 4.5805 4.5805 5.3452 5.3452 6.4400 6.4400 7.0036 7.0036 8.3273 8.3273 9.2252 9.2252 k = 0.1875 0.0124 0.0303 ( 6830 PWs) bands (ev): -20.6113 -20.6113 -20.3131 -20.3131 -19.6840 -19.6840 -19.4401 -19.4401 -14.7142 -14.7142 -12.1271 -12.1271 -11.9232 -11.9232 -8.9875 -8.9875 -8.7424 -8.7424 -8.2681 -8.2681 -8.0559 -8.0559 -7.6463 -7.6463 -7.3222 -7.3222 -6.0533 -6.0533 -5.2029 -5.2029 -4.4732 -4.4732 -3.9895 -3.9895 -3.8221 -3.8221 -3.5431 -3.5431 -3.3396 -3.3396 -3.0279 -3.0279 -2.6278 -2.6278 -2.4079 -2.4079 -2.3789 -2.3789 -1.7032 -1.7032 -1.4898 -1.4898 -1.3822 -1.3822 -1.1961 -1.1961 -0.8422 -0.8422 0.1043 0.1043 0.2616 0.2616 4.5693 4.5693 5.3778 5.3778 6.4825 6.4825 7.0010 7.0010 8.3113 8.3113 9.2004 9.2004 k = 0.2031 0.0135 0.0328 ( 6825 PWs) bands (ev): -20.6030 -20.6030 -20.3053 -20.3053 -19.6951 -19.6951 -19.4502 -19.4502 -14.7104 -14.7104 -12.1352 -12.1352 -11.9226 -11.9226 -8.9853 -8.9853 -8.7367 -8.7367 -8.2517 -8.2517 -8.0411 -8.0411 -7.6399 -7.6399 -7.3249 -7.3249 -6.0517 -6.0517 -5.2054 -5.2054 -4.4727 -4.4727 -3.9859 -3.9859 -3.8341 -3.8341 -3.5368 -3.5368 -3.3472 -3.3472 -3.0413 -3.0413 -2.6457 -2.6457 -2.4287 -2.4287 -2.3968 -2.3968 -1.7042 -1.7042 -1.4859 -1.4859 -1.3850 -1.3850 -1.1987 -1.1987 -0.8391 -0.8391 0.1052 0.1052 0.2871 0.2871 4.5573 4.5573 5.4123 5.4123 6.5278 6.5278 6.9983 6.9983 8.2949 8.2949 9.1666 9.1666 k = 0.2188 0.0145 0.0353 ( 6824 PWs) bands (ev): -20.5943 -20.5943 -20.2972 -20.2972 -19.7067 -19.7067 -19.4608 -19.4608 -14.7065 -14.7065 -12.1436 -12.1436 -11.9218 -11.9218 -8.9837 -8.9837 -8.7304 -8.7304 -8.2348 -8.2348 -8.0255 -8.0255 -7.6332 -7.6332 -7.3277 -7.3277 -6.0499 -6.0499 -5.2080 -5.2080 -4.4722 -4.4722 -3.9825 -3.9825 -3.8466 -3.8466 -3.5308 -3.5308 -3.3559 -3.3559 -3.0568 -3.0568 -2.6617 -2.6617 -2.4491 -2.4491 -2.4144 -2.4144 -1.7049 -1.7049 -1.4828 -1.4828 -1.3882 -1.3882 -1.2017 -1.2017 -0.8359 -0.8359 0.1037 0.1037 0.3158 0.3158 4.5446 4.5446 5.4485 5.4485 6.5755 6.5755 6.9956 6.9956 8.2781 8.2781 9.1266 9.1266 k = 0.2344 0.0156 0.0378 ( 6826 PWs) bands (ev): -20.5851 -20.5851 -20.2887 -20.2887 -19.7187 -19.7187 -19.4718 -19.4718 -14.7025 -14.7025 -12.1524 -12.1524 -11.9208 -11.9208 -8.9825 -8.9825 -8.7235 -8.7235 -8.2174 -8.2174 -8.0094 -8.0094 -7.6262 -7.6262 -7.3307 -7.3307 -6.0481 -6.0481 -5.2106 -5.2106 -4.4716 -4.4716 -3.9793 -3.9793 -3.8594 -3.8594 -3.5251 -3.5251 -3.3657 -3.3657 -3.0742 -3.0742 -2.6754 -2.6754 -2.4689 -2.4689 -2.4314 -2.4314 -1.7051 -1.7051 -1.4805 -1.4805 -1.3919 -1.3919 -1.2049 -1.2049 -0.8327 -0.8327 0.1005 0.1005 0.3467 0.3467 4.5313 4.5313 5.4860 5.4860 6.6255 6.6255 6.9928 6.9928 8.2608 8.2608 9.0827 9.0827 k = 0.2500 0.0166 0.0404 ( 6822 PWs) bands (ev): -20.5756 -20.5756 -20.2799 -20.2799 -19.7311 -19.7311 -19.4831 -19.4831 -14.6984 -14.6984 -12.1614 -12.1614 -11.9197 -11.9197 -8.9819 -8.9819 -8.7163 -8.7163 -8.1998 -8.1998 -7.9927 -7.9927 -7.6188 -7.6188 -7.3338 -7.3338 -6.0461 -6.0461 -5.2131 -5.2131 -4.4711 -4.4711 -3.9765 -3.9765 -3.8724 -3.8724 -3.5199 -3.5199 -3.3765 -3.3765 -3.0935 -3.0935 -2.6868 -2.6868 -2.4880 -2.4880 -2.4477 -2.4477 -1.7047 -1.7047 -1.4793 -1.4793 -1.3958 -1.3958 -1.2085 -1.2085 -0.8296 -0.8296 0.0963 0.0963 0.3788 0.3788 4.5176 4.5176 5.5245 5.5245 6.6773 6.6773 6.9901 6.9901 8.2431 8.2431 9.0362 9.0362 k = 0.2656 0.0176 0.0429 ( 6821 PWs) bands (ev): -20.5659 -20.5659 -20.2709 -20.2709 -19.7438 -19.7438 -19.4947 -19.4947 -14.6943 -14.6943 -12.1705 -12.1705 -11.9184 -11.9184 -8.9817 -8.9817 -8.7087 -8.7087 -8.1820 -8.1820 -7.9757 -7.9757 -7.6113 -7.6113 -7.3370 -7.3370 -6.0440 -6.0440 -5.2155 -5.2155 -4.4704 -4.4704 -3.9744 -3.9744 -3.8852 -3.8852 -3.5154 -3.5154 -3.3880 -3.3880 -3.1142 -3.1142 -2.6958 -2.6958 -2.5061 -2.5061 -2.4632 -2.4632 -1.7037 -1.7037 -1.4791 -1.4791 -1.4001 -1.4001 -1.2122 -1.2122 -0.8264 -0.8264 0.0915 0.0915 0.4115 0.4115 4.5036 4.5036 5.5637 5.5637 6.7306 6.7306 6.9878 6.9878 8.2248 8.2248 8.9884 8.9884 k = 0.2812 0.0187 0.0454 ( 6826 PWs) bands (ev): -20.5559 -20.5559 -20.2616 -20.2616 -19.7567 -19.7567 -19.5065 -19.5065 -14.6903 -14.6903 -12.1796 -12.1796 -11.9170 -11.9170 -8.9819 -8.9819 -8.7010 -8.7010 -8.1644 -8.1644 -7.9585 -7.9585 -7.6036 -7.6036 -7.3402 -7.3402 -6.0418 -6.0418 -5.2179 -5.2179 -4.4698 -4.4698 -3.9732 -3.9732 -3.8973 -3.8973 -3.5120 -3.5120 -3.4000 -3.4000 -3.1360 -3.1360 -2.7024 -2.7024 -2.5232 -2.5232 -2.4779 -2.4779 -1.7020 -1.7020 -1.4800 -1.4800 -1.4046 -1.4046 -1.2162 -1.2162 -0.8233 -0.8233 0.0864 0.0864 0.4442 0.4442 4.4895 4.4895 5.6032 5.6032 6.7844 6.7844 6.9863 6.9863 8.2060 8.2060 8.9400 8.9400 k = 0.2969 0.0197 0.0479 ( 6824 PWs) bands (ev): -20.5458 -20.5458 -20.2523 -20.2523 -19.7696 -19.7696 -19.5182 -19.5182 -14.6862 -14.6862 -12.1886 -12.1886 -11.9156 -11.9156 -8.9826 -8.9826 -8.6932 -8.6932 -8.1471 -8.1471 -7.9413 -7.9413 -7.5957 -7.5957 -7.3436 -7.3436 -6.0396 -6.0396 -5.2201 -5.2201 -4.4691 -4.4691 -3.9736 -3.9736 -3.9081 -3.9081 -3.5100 -3.5100 -3.4119 -3.4119 -3.1583 -3.1583 -2.7069 -2.7069 -2.5390 -2.5390 -2.4917 -2.4917 -1.6995 -1.6995 -1.4821 -1.4821 -1.4092 -1.4092 -1.2202 -1.2202 -0.8203 -0.8203 0.0811 0.0811 0.4766 0.4766 4.4753 4.4753 5.6428 5.6428 6.8373 6.8373 6.9871 6.9871 8.1862 8.1862 8.8918 8.8918 k = 0.3125 0.0207 0.0505 ( 6818 PWs) bands (ev): -20.5357 -20.5357 -20.2429 -20.2429 -19.7824 -19.7824 -19.5300 -19.5300 -14.6823 -14.6823 -12.1974 -12.1974 -11.9141 -11.9141 -8.9835 -8.9835 -8.6854 -8.6854 -8.1302 -8.1302 -7.9242 -7.9242 -7.5879 -7.5879 -7.3470 -7.3470 -6.0374 -6.0374 -5.2222 -5.2222 -4.4685 -4.4685 -3.9764 -3.9764 -3.9167 -3.9167 -3.5101 -3.5101 -3.4229 -3.4229 -3.1807 -3.1807 -2.7094 -2.7094 -2.5537 -2.5537 -2.5045 -2.5045 -1.6963 -1.6963 -1.4854 -1.4854 -1.4139 -1.4139 -1.2243 -1.2243 -0.8173 -0.8173 0.0759 0.0759 0.5082 0.5082 4.4613 4.4613 5.6819 5.6819 6.8851 6.8851 6.9941 6.9941 8.1654 8.1654 8.8444 8.8444 k = 0.3281 0.0218 0.0530 ( 6822 PWs) bands (ev): -20.5257 -20.5257 -20.2337 -20.2337 -19.7951 -19.7951 -19.5415 -19.5415 -14.6785 -14.6785 -12.2059 -12.2059 -11.9126 -11.9126 -8.9847 -8.9847 -8.6778 -8.6778 -8.1139 -8.1139 -7.9075 -7.9075 -7.5800 -7.5800 -7.3504 -7.3504 -6.0351 -6.0351 -5.2242 -5.2242 -4.4678 -4.4678 -3.9820 -3.9820 -3.9225 -3.9225 -3.5131 -3.5131 -3.4320 -3.4320 -3.2028 -3.2028 -2.7101 -2.7101 -2.5672 -2.5672 -2.5163 -2.5163 -1.6922 -1.6922 -1.4899 -1.4899 -1.4187 -1.4187 -1.2283 -1.2283 -0.8144 -0.8144 0.0707 0.0707 0.5387 0.5387 4.4476 4.4476 5.7202 5.7202 6.9182 6.9182 7.0165 7.0165 8.1433 8.1433 8.7986 8.7986 k = 0.3438 0.0228 0.0555 ( 6825 PWs) bands (ev): -20.5159 -20.5159 -20.2246 -20.2246 -19.8074 -19.8074 -19.5528 -19.5528 -14.6749 -14.6749 -12.2141 -12.2141 -11.9112 -11.9112 -8.9861 -8.9861 -8.6705 -8.6705 -8.0985 -8.0985 -7.8913 -7.8913 -7.5723 -7.5723 -7.3537 -7.3537 -6.0329 -6.0329 -5.2260 -5.2260 -4.4671 -4.4671 -3.9902 -3.9902 -3.9255 -3.9255 -3.5195 -3.5195 -3.4385 -3.4385 -3.2241 -3.2241 -2.7093 -2.7093 -2.5795 -2.5795 -2.5273 -2.5273 -1.6872 -1.6872 -1.4954 -1.4954 -1.4235 -1.4235 -1.2323 -1.2323 -0.8117 -0.8117 0.0659 0.0659 0.5677 0.5677 4.4344 4.4344 5.7573 5.7573 6.9319 6.9319 7.0589 7.0589 8.1196 8.1196 8.7548 8.7548 k = 0.3594 0.0239 0.0580 ( 6824 PWs) bands (ev): -20.5063 -20.5063 -20.2158 -20.2158 -19.8192 -19.8192 -19.5636 -19.5636 -14.6715 -14.6715 -12.2217 -12.2217 -11.9098 -11.9098 -8.9875 -8.9875 -8.6636 -8.6636 -8.0840 -8.0840 -7.8759 -7.8759 -7.5648 -7.5648 -7.3571 -7.3571 -6.0307 -6.0307 -5.2276 -5.2276 -4.4665 -4.4665 -4.0002 -4.0002 -3.9264 -3.9264 -3.5290 -3.5290 -3.4420 -3.4420 -3.2443 -3.2443 -2.7072 -2.7072 -2.5907 -2.5907 -2.5373 -2.5373 -1.6814 -1.6814 -1.5019 -1.5019 -1.4282 -1.4282 -1.2360 -1.2360 -0.8091 -0.8091 0.0613 0.0613 0.5949 0.5949 4.4218 4.4218 5.7927 5.7927 6.9347 6.9347 7.1124 7.1124 8.0939 8.0939 8.7137 8.7137 k = 0.3750 0.0249 0.0605 ( 6819 PWs) bands (ev): -20.4973 -20.4973 -20.2075 -20.2075 -19.8304 -19.8304 -19.5738 -19.5738 -14.6684 -14.6684 -12.2288 -12.2288 -11.9084 -11.9084 -8.9890 -8.9890 -8.6571 -8.6571 -8.0706 -8.0706 -7.8614 -7.8614 -7.5576 -7.5576 -7.3603 -7.3603 -6.0286 -6.0286 -5.2291 -5.2291 -4.4658 -4.4658 -4.0108 -4.0108 -3.9260 -3.9260 -3.5407 -3.5407 -3.4432 -3.4432 -3.2632 -3.2632 -2.7040 -2.7040 -2.6009 -2.6009 -2.5464 -2.5464 -1.6748 -1.6748 -1.5092 -1.5092 -1.4329 -1.4329 -1.2394 -1.2394 -0.8067 -0.8067 0.0571 0.0571 0.6201 0.6201 4.4100 4.4100 5.8261 5.8261 6.9334 6.9334 7.1700 7.1700 8.0659 8.0659 8.6759 8.6759 k = 0.3906 0.0259 0.0631 ( 6820 PWs) bands (ev): -20.4888 -20.4888 -20.1997 -20.1997 -19.8408 -19.8408 -19.5833 -19.5833 -14.6655 -14.6655 -12.2353 -12.2353 -11.9072 -11.9072 -8.9904 -8.9904 -8.6513 -8.6513 -8.0584 -8.0584 -7.8481 -7.8481 -7.5507 -7.5507 -7.3635 -7.3635 -6.0266 -6.0266 -5.2305 -5.2305 -4.4653 -4.4653 -4.0214 -4.0214 -3.9250 -3.9250 -3.5534 -3.5534 -3.4429 -3.4429 -3.2806 -3.2806 -2.6999 -2.6999 -2.6101 -2.6101 -2.5547 -2.5547 -1.6674 -1.6674 -1.5173 -1.5173 -1.4374 -1.4374 -1.2425 -1.2425 -0.8045 -0.8045 0.0532 0.0532 0.6430 0.6430 4.3992 4.3992 5.8569 5.8569 6.9306 6.9306 7.2289 7.2289 8.0355 8.0355 8.6418 8.6418 k = 0.4062 0.0270 0.0656 ( 6820 PWs) bands (ev): -20.4810 -20.4810 -20.1925 -20.1925 -19.8503 -19.8503 -19.5919 -19.5919 -14.6629 -14.6629 -12.2410 -12.2410 -11.9060 -11.9060 -8.9918 -8.9918 -8.6460 -8.6460 -8.0476 -8.0476 -7.8361 -7.8361 -7.5445 -7.5445 -7.3664 -7.3664 -6.0248 -6.0248 -5.2316 -5.2316 -4.4647 -4.4647 -4.0315 -4.0315 -3.9237 -3.9237 -3.5661 -3.5661 -3.4416 -3.4416 -3.2963 -3.2963 -2.6951 -2.6951 -2.6185 -2.6185 -2.5621 -2.5621 -1.6593 -1.6593 -1.5260 -1.5260 -1.4416 -1.4416 -1.2453 -1.2453 -0.8025 -0.8025 0.0499 0.0499 0.6633 0.6633 4.3895 4.3895 5.8847 5.8847 6.9271 6.9271 7.2878 7.2878 8.0028 8.0028 8.6118 8.6118 k = 0.4219 0.0280 0.0681 ( 6819 PWs) bands (ev): -20.4741 -20.4741 -20.1862 -20.1862 -19.8587 -19.8587 -19.5995 -19.5995 -14.6607 -14.6607 -12.2460 -12.2460 -11.9050 -11.9050 -8.9931 -8.9931 -8.6415 -8.6415 -8.0383 -8.0383 -7.8256 -7.8256 -7.5388 -7.5388 -7.3691 -7.3691 -6.0231 -6.0231 -5.2326 -5.2326 -4.4643 -4.4643 -4.0405 -4.0405 -3.9222 -3.9222 -3.5780 -3.5780 -3.4398 -3.4398 -3.3100 -3.3100 -2.6897 -2.6897 -2.6262 -2.6262 -2.5686 -2.5686 -1.6507 -1.6507 -1.5351 -1.5351 -1.4455 -1.4455 -1.2477 -1.2477 -0.8008 -0.8008 0.0470 0.0470 0.6809 0.6809 4.3811 4.3811 5.9092 5.9092 6.9235 6.9235 7.3454 7.3454 7.9679 7.9679 8.5864 8.5864 k = 0.4375 0.0290 0.0706 ( 6811 PWs) bands (ev): -20.4682 -20.4682 -20.1808 -20.1808 -19.8658 -19.8658 -19.6060 -19.6060 -14.6589 -14.6589 -12.2501 -12.2501 -11.9042 -11.9042 -8.9942 -8.9942 -8.6377 -8.6377 -8.0305 -8.0305 -7.8167 -7.8167 -7.5340 -7.5340 -7.3714 -7.3714 -6.0217 -6.0217 -5.2334 -5.2334 -4.4638 -4.4638 -4.0483 -4.0483 -3.9209 -3.9209 -3.5885 -3.5885 -3.4378 -3.4378 -3.3218 -3.3218 -2.6839 -2.6839 -2.6333 -2.6333 -2.5741 -2.5741 -1.6418 -1.6418 -1.5444 -1.5444 -1.4489 -1.4489 -1.2496 -1.2496 -0.7994 -0.7994 0.0446 0.0446 0.6955 0.6955 4.3740 4.3740 5.9299 5.9299 6.9202 6.9202 7.4006 7.4006 7.9316 7.9316 8.5655 8.5655 k = 0.4531 0.0301 0.0732 ( 6810 PWs) bands (ev): -20.4635 -20.4635 -20.1765 -20.1765 -19.8714 -19.8714 -19.6112 -19.6112 -14.6574 -14.6574 -12.2534 -12.2534 -11.9035 -11.9035 -8.9950 -8.9950 -8.6348 -8.6348 -8.0244 -8.0244 -7.8097 -7.8097 -7.5301 -7.5301 -7.3734 -7.3734 -6.0206 -6.0206 -5.2340 -5.2340 -4.4635 -4.4635 -4.0546 -4.0546 -3.9197 -3.9197 -3.5972 -3.5972 -3.4359 -3.4359 -3.3313 -3.3313 -2.6779 -2.6779 -2.6400 -2.6400 -2.5785 -2.5785 -1.6328 -1.6328 -1.5536 -1.5536 -1.4517 -1.4517 -1.2512 -1.2512 -0.7983 -0.7983 0.0427 0.0427 0.7071 0.7071 4.3683 4.3683 5.9464 5.9464 6.9173 6.9173 7.4515 7.4515 7.8956 7.8956 8.5493 8.5493 k = 0.4688 0.0311 0.0757 ( 6816 PWs) bands (ev): -20.4600 -20.4600 -20.1734 -20.1734 -19.8756 -19.8756 -19.6150 -19.6150 -14.6564 -14.6564 -12.2557 -12.2557 -11.9031 -11.9031 -8.9957 -8.9957 -8.6326 -8.6326 -8.0200 -8.0200 -7.8046 -7.8046 -7.5271 -7.5271 -7.3748 -7.3748 -6.0198 -6.0198 -5.2344 -5.2344 -4.4633 -4.4633 -4.0592 -4.0592 -3.9188 -3.9188 -3.6036 -3.6036 -3.4342 -3.4342 -3.3383 -3.3383 -2.6717 -2.6717 -2.6464 -2.6464 -2.5818 -2.5818 -1.6244 -1.6244 -1.5622 -1.5622 -1.4538 -1.4538 -1.2523 -1.2523 -0.7975 -0.7975 0.0413 0.0413 0.7154 0.7154 4.3642 4.3642 5.9584 5.9584 6.9152 6.9152 7.4951 7.4951 7.8626 7.8626 8.5378 8.5378 k = 0.4844 0.0321 0.0782 ( 6821 PWs) bands (ev): -20.4579 -20.4579 -20.1714 -20.1714 -19.8781 -19.8781 -19.6173 -19.6173 -14.6557 -14.6557 -12.2572 -12.2572 -11.9028 -11.9028 -8.9961 -8.9961 -8.6313 -8.6313 -8.0174 -8.0174 -7.8015 -7.8015 -7.5254 -7.5254 -7.3757 -7.3757 -6.0193 -6.0193 -5.2347 -5.2347 -4.4631 -4.4631 -4.0620 -4.0620 -3.9182 -3.9182 -3.6076 -3.6076 -3.4331 -3.4331 -3.3427 -3.3427 -2.6656 -2.6656 -2.6526 -2.6526 -2.5838 -2.5838 -1.6178 -1.6178 -1.5690 -1.5690 -1.4551 -1.4551 -1.2529 -1.2529 -0.7970 -0.7970 0.0405 0.0405 0.7205 0.7205 4.3618 4.3618 5.9657 5.9657 6.9138 6.9138 7.5263 7.5263 7.8378 7.8378 8.5310 8.5310 k = 0.5000 0.0332 0.0807 ( 6818 PWs) bands (ev): -20.4572 -20.4572 -20.1708 -20.1708 -19.8790 -19.8790 -19.6180 -19.6180 -14.6555 -14.6555 -12.2576 -12.2576 -11.9027 -11.9027 -8.9962 -8.9962 -8.6309 -8.6309 -8.0165 -8.0165 -7.8005 -7.8005 -7.5248 -7.5248 -7.3761 -7.3761 -6.0192 -6.0192 -5.2348 -5.2348 -4.4631 -4.4631 -4.0630 -4.0630 -3.9181 -3.9181 -3.6089 -3.6089 -3.4327 -3.4327 -3.3441 -3.3441 -2.6608 -2.6608 -2.6574 -2.6574 -2.5845 -2.5845 -1.6151 -1.6151 -1.5717 -1.5717 -1.4555 -1.4555 -1.2531 -1.2531 -0.7968 -0.7968 0.0403 0.0403 0.7222 0.7222 4.3609 4.3609 5.9681 5.9681 6.9133 6.9133 7.5380 7.5380 7.8283 7.8283 8.5287 8.5287 k = 0.5000-0.4381-0.0468 ( 6854 PWs) bands (ev): -20.4408 -20.4408 -20.1864 -20.1864 -19.8599 -19.8599 -19.6364 -19.6364 -14.6352 -14.6352 -12.2414 -12.2414 -11.9660 -11.9660 -9.0561 -9.0561 -8.6307 -8.6307 -7.9595 -7.9595 -7.8224 -7.8224 -7.5288 -7.5288 -7.3087 -7.3087 -6.3395 -6.3395 -4.9847 -4.9847 -4.5760 -4.5760 -3.8855 -3.8855 -3.7843 -3.7843 -3.7079 -3.7079 -3.5457 -3.5457 -3.0982 -3.0982 -2.8934 -2.8934 -2.6737 -2.6737 -2.1670 -2.1670 -1.9920 -1.9920 -1.7552 -1.7552 -1.6142 -1.6142 -1.2273 -1.2273 -0.5779 -0.5779 0.3344 0.3344 0.8043 0.8043 4.6208 4.6208 5.8702 5.8702 6.5434 6.5434 8.1536 8.1536 8.3950 8.3950 8.7984 8.7984 k = 0.4881-0.4276-0.0457 ( 6846 PWs) bands (ev): -20.4412 -20.4412 -20.1867 -20.1867 -19.8594 -19.8594 -19.6360 -19.6360 -14.6354 -14.6354 -12.2411 -12.2411 -11.9660 -11.9660 -9.0558 -9.0558 -8.6310 -8.6310 -7.9604 -7.9604 -7.8226 -7.8226 -7.5289 -7.5289 -7.3088 -7.3088 -6.3392 -6.3392 -4.9850 -4.9850 -4.5758 -4.5758 -3.8854 -3.8854 -3.7844 -3.7844 -3.7070 -3.7070 -3.5448 -3.5448 -3.0985 -3.0985 -2.8932 -2.8932 -2.6733 -2.6733 -2.1675 -2.1675 -1.9914 -1.9914 -1.7550 -1.7550 -1.6140 -1.6140 -1.2272 -1.2272 -0.5781 -0.5781 0.3342 0.3342 0.8029 0.8029 4.6215 4.6215 5.8690 5.8690 6.5440 6.5440 8.1528 8.1528 8.3920 8.3920 8.7975 8.7975 k = 0.4762-0.4172-0.0446 ( 6846 PWs) bands (ev): -20.4425 -20.4425 -20.1878 -20.1878 -19.8581 -19.8581 -19.6345 -19.6345 -14.6358 -14.6358 -12.2404 -12.2404 -11.9659 -11.9659 -9.0552 -9.0552 -8.6319 -8.6319 -7.9632 -7.9632 -7.8232 -7.8232 -7.5294 -7.5294 -7.3093 -7.3093 -6.3383 -6.3383 -4.9858 -4.9858 -4.5755 -4.5755 -3.8852 -3.8852 -3.7847 -3.7847 -3.7047 -3.7047 -3.5421 -3.5421 -3.0996 -3.0996 -2.8924 -2.8924 -2.6720 -2.6720 -2.1692 -2.1692 -1.9894 -1.9894 -1.7543 -1.7543 -1.6133 -1.6133 -1.2268 -1.2268 -0.5787 -0.5787 0.3334 0.3334 0.7988 0.7988 4.6234 4.6234 5.8655 5.8655 6.5458 6.5458 8.1502 8.1502 8.3826 8.3826 8.7953 8.7953 k = 0.4643-0.4068-0.0435 ( 6849 PWs) bands (ev): -20.4446 -20.4446 -20.1896 -20.1896 -19.8558 -19.8558 -19.6321 -19.6321 -14.6366 -14.6366 -12.2391 -12.2391 -11.9658 -11.9658 -9.0542 -9.0542 -8.6333 -8.6333 -7.9677 -7.9677 -7.8243 -7.8243 -7.5302 -7.5302 -7.3102 -7.3102 -6.3367 -6.3367 -4.9871 -4.9871 -4.5749 -4.5749 -3.8849 -3.8849 -3.7852 -3.7852 -3.7008 -3.7008 -3.5374 -3.5374 -3.1014 -3.1014 -2.8909 -2.8909 -2.6700 -2.6700 -2.1719 -2.1719 -1.9862 -1.9862 -1.7531 -1.7531 -1.6121 -1.6121 -1.2261 -1.2261 -0.5797 -0.5797 0.3321 0.3321 0.7920 0.7920 4.6267 4.6267 5.8598 5.8598 6.5488 6.5488 8.1460 8.1460 8.3664 8.3664 8.7928 8.7928 k = 0.4524-0.3963-0.0424 ( 6850 PWs) bands (ev): -20.4476 -20.4476 -20.1920 -20.1920 -19.8527 -19.8527 -19.6288 -19.6288 -14.6376 -14.6376 -12.2373 -12.2373 -11.9657 -11.9657 -9.0527 -9.0527 -8.6354 -8.6354 -7.9738 -7.9738 -7.8260 -7.8260 -7.5312 -7.5312 -7.3113 -7.3113 -6.3345 -6.3345 -4.9889 -4.9889 -4.5741 -4.5741 -3.8845 -3.8845 -3.7858 -3.7858 -3.6956 -3.6956 -3.5309 -3.5309 -3.1040 -3.1040 -2.8887 -2.8887 -2.6671 -2.6671 -2.1758 -2.1758 -1.9818 -1.9818 -1.7515 -1.7515 -1.6105 -1.6105 -1.2252 -1.2252 -0.5811 -0.5811 0.3303 0.3303 0.7826 0.7826 4.6311 4.6311 5.8518 5.8518 6.5530 6.5530 8.1400 8.1400 8.3426 8.3426 8.7915 8.7915 k = 0.4405-0.3859-0.0413 ( 6847 PWs) bands (ev): -20.4513 -20.4513 -20.1951 -20.1951 -19.8487 -19.8487 -19.6247 -19.6247 -14.6389 -14.6389 -12.2351 -12.2351 -11.9655 -11.9655 -9.0508 -9.0508 -8.6380 -8.6380 -7.9814 -7.9814 -7.8284 -7.8284 -7.5326 -7.5326 -7.3126 -7.3126 -6.3318 -6.3318 -4.9913 -4.9913 -4.5730 -4.5730 -3.8842 -3.8842 -3.7863 -3.7863 -3.6892 -3.6892 -3.5225 -3.5225 -3.1076 -3.1076 -2.8856 -2.8856 -2.6635 -2.6635 -2.1806 -2.1806 -1.9761 -1.9761 -1.7494 -1.7494 -1.6084 -1.6084 -1.2240 -1.2240 -0.5829 -0.5829 0.3280 0.3280 0.7706 0.7706 4.6366 4.6366 5.8417 5.8417 6.5583 6.5583 8.1320 8.1320 8.3112 8.3112 8.7929 8.7929 k = 0.4286-0.3755-0.0401 ( 6842 PWs) bands (ev): -20.4557 -20.4557 -20.1988 -20.1988 -19.8440 -19.8440 -19.6197 -19.6197 -14.6405 -14.6405 -12.2324 -12.2324 -11.9653 -11.9653 -9.0486 -9.0486 -8.6411 -8.6411 -7.9903 -7.9903 -7.8315 -7.8315 -7.5342 -7.5342 -7.3142 -7.3142 -6.3284 -6.3284 -4.9941 -4.9941 -4.5717 -4.5717 -3.8840 -3.8840 -3.7867 -3.7867 -3.6818 -3.6818 -3.5121 -3.5121 -3.1122 -3.1122 -2.8815 -2.8815 -2.6591 -2.6591 -2.1865 -2.1865 -1.9692 -1.9692 -1.7469 -1.7469 -1.6059 -1.6059 -1.2227 -1.2227 -0.5851 -0.5851 0.3252 0.3252 0.7563 0.7563 4.6430 4.6430 5.8295 5.8295 6.5648 6.5648 8.1215 8.1215 8.2727 8.2727 8.7978 8.7978 k = 0.4167-0.3651-0.0390 ( 6837 PWs) bands (ev): -20.4608 -20.4608 -20.2030 -20.2030 -19.8385 -19.8385 -19.6139 -19.6139 -14.6424 -14.6424 -12.2292 -12.2292 -11.9650 -11.9650 -9.0460 -9.0460 -8.6448 -8.6448 -8.0006 -8.0006 -7.8354 -7.8354 -7.5361 -7.5361 -7.3160 -7.3160 -6.3244 -6.3244 -4.9974 -4.9974 -4.5701 -4.5701 -3.8840 -3.8840 -3.7870 -3.7870 -3.6734 -3.6734 -3.4997 -3.4997 -3.1178 -3.1178 -2.8761 -2.8761 -2.6541 -2.6541 -2.1933 -2.1933 -1.9613 -1.9613 -1.7439 -1.7439 -1.6028 -1.6028 -1.2212 -1.2212 -0.5878 -0.5878 0.3220 0.3220 0.7396 0.7396 4.6502 4.6502 5.8153 5.8153 6.5726 6.5726 8.1064 8.1064 8.2298 8.2298 8.8068 8.8068 k = 0.4048-0.3546-0.0379 ( 6833 PWs) bands (ev): -20.4665 -20.4665 -20.2077 -20.2077 -19.8324 -19.8324 -19.6075 -19.6075 -14.6445 -14.6445 -12.2256 -12.2256 -11.9647 -11.9647 -9.0431 -9.0431 -8.6489 -8.6489 -8.0119 -8.0119 -7.8401 -7.8401 -7.5382 -7.5382 -7.3180 -7.3180 -6.3199 -6.3199 -5.0012 -5.0012 -4.5683 -4.5683 -3.8843 -3.8843 -3.7873 -3.7873 -3.6642 -3.6642 -3.4855 -3.4855 -3.1245 -3.1245 -2.8695 -2.8695 -2.6484 -2.6484 -2.2010 -2.2010 -1.9524 -1.9524 -1.7405 -1.7405 -1.5993 -1.5993 -1.2196 -1.2196 -0.5908 -0.5908 0.3184 0.3184 0.7208 0.7208 4.6580 4.6580 5.7993 5.7993 6.5814 6.5814 8.0823 8.0823 8.1880 8.1880 8.8197 8.8197 k = 0.3929-0.3442-0.0368 ( 6835 PWs) bands (ev): -20.4727 -20.4727 -20.2128 -20.2128 -19.8258 -19.8258 -19.6004 -19.6004 -14.6469 -14.6469 -12.2216 -12.2216 -11.9643 -11.9643 -9.0399 -9.0399 -8.6535 -8.6535 -8.0241 -8.0241 -7.8458 -7.8458 -7.5405 -7.5405 -7.3200 -7.3200 -6.3148 -6.3148 -5.0054 -5.0054 -4.5663 -4.5663 -3.8849 -3.8849 -3.7875 -3.7875 -3.6541 -3.6541 -3.4695 -3.4695 -3.1323 -3.1323 -2.8615 -2.8615 -2.6420 -2.6420 -2.2094 -2.2094 -1.9426 -1.9426 -1.7366 -1.7366 -1.5953 -1.5953 -1.2179 -1.2179 -0.5943 -0.5943 0.3145 0.3145 0.7000 0.7000 4.6662 4.6662 5.7815 5.7815 6.5914 6.5914 8.0423 8.0423 8.1555 8.1555 8.8363 8.8363 k = 0.3810-0.3338-0.0357 ( 6837 PWs) bands (ev): -20.4794 -20.4794 -20.2183 -20.2183 -19.8185 -19.8185 -19.5928 -19.5928 -14.6495 -14.6495 -12.2172 -12.2172 -11.9639 -11.9639 -9.0365 -9.0365 -8.6586 -8.6586 -8.0372 -8.0372 -7.8524 -7.8524 -7.5431 -7.5431 -7.3220 -7.3220 -6.3092 -6.3092 -5.0101 -5.0101 -4.5640 -4.5640 -3.8859 -3.8859 -3.7877 -3.7877 -3.6433 -3.6433 -3.4519 -3.4519 -3.1410 -3.1410 -2.8521 -2.8521 -2.6351 -2.6351 -2.2185 -2.2185 -1.9320 -1.9320 -1.7323 -1.7323 -1.5908 -1.5908 -1.2163 -1.2163 -0.5981 -0.5981 0.3102 0.3102 0.6773 0.6773 4.6747 4.6747 5.7622 5.7622 6.6025 6.6025 7.9857 7.9857 8.1344 8.1344 8.8562 8.8562 k = 0.3690-0.3233-0.0346 ( 6838 PWs) bands (ev): -20.4865 -20.4865 -20.2241 -20.2241 -19.8109 -19.8109 -19.5847 -19.5847 -14.6523 -14.6523 -12.2124 -12.2124 -11.9634 -11.9634 -9.0329 -9.0329 -8.6640 -8.6640 -8.0510 -8.0510 -7.8600 -7.8600 -7.5460 -7.5460 -7.3240 -7.3240 -6.3030 -6.3030 -5.0152 -5.0152 -4.5614 -4.5614 -3.8874 -3.8874 -3.7879 -3.7879 -3.6319 -3.6319 -3.4328 -3.4328 -3.1506 -3.1506 -2.8415 -2.8415 -2.6275 -2.6275 -2.2282 -2.2282 -1.9207 -1.9207 -1.7275 -1.7275 -1.5859 -1.5859 -1.2146 -1.2146 -0.6025 -0.6025 0.3056 0.3056 0.6531 0.6531 4.6831 4.6831 5.7414 5.7414 6.6146 6.6146 7.9183 7.9183 8.1202 8.1202 8.8790 8.8790 k = 0.3571-0.3129-0.0335 ( 6841 PWs) bands (ev): -20.4939 -20.4939 -20.2301 -20.2301 -19.8028 -19.8028 -19.5762 -19.5762 -14.6553 -14.6553 -12.2074 -12.2074 -11.9628 -11.9628 -9.0291 -9.0291 -8.6698 -8.6698 -8.0654 -8.0654 -7.8683 -7.8683 -7.5492 -7.5492 -7.3258 -7.3258 -6.2963 -6.2963 -5.0206 -5.0206 -4.5586 -4.5586 -3.8893 -3.8893 -3.7880 -3.7880 -3.6198 -3.6198 -3.4124 -3.4124 -3.1608 -3.1608 -2.8295 -2.8295 -2.6194 -2.6194 -2.2382 -2.2382 -1.9088 -1.9088 -1.7222 -1.7222 -1.5805 -1.5805 -1.2130 -1.2130 -0.6072 -0.6072 0.3008 0.3008 0.6274 0.6274 4.6915 4.6915 5.7193 5.7193 6.6278 6.6278 7.8445 7.8445 8.1095 8.1095 8.9042 8.9042 k = 0.3452-0.3025-0.0323 ( 6842 PWs) bands (ev): -20.5017 -20.5017 -20.2364 -20.2364 -19.7944 -19.7944 -19.5673 -19.5673 -14.6585 -14.6585 -12.2020 -12.2020 -11.9622 -11.9622 -9.0252 -9.0252 -8.6760 -8.6760 -8.0803 -8.0803 -7.8775 -7.8775 -7.5528 -7.5528 -7.3275 -7.3275 -6.2891 -6.2891 -5.0264 -5.0264 -4.5556 -4.5556 -3.8916 -3.8916 -3.7883 -3.7883 -3.6072 -3.6072 -3.3912 -3.3912 -3.1714 -3.1714 -2.8163 -2.8163 -2.6108 -2.6108 -2.2485 -2.2485 -1.8965 -1.8965 -1.7164 -1.7164 -1.5746 -1.5746 -1.2116 -1.2116 -0.6124 -0.6124 0.2958 0.2958 0.6004 0.6004 4.6995 4.6995 5.6961 5.6961 6.6419 6.6419 7.7670 7.7670 8.1009 8.1009 8.9316 8.9316 k = 0.3333-0.2920-0.0312 ( 6836 PWs) bands (ev): -20.5096 -20.5096 -20.2428 -20.2428 -19.7858 -19.7858 -19.5582 -19.5582 -14.6619 -14.6619 -12.1964 -12.1964 -11.9615 -11.9615 -9.0212 -9.0212 -8.6823 -8.6823 -8.0955 -8.0955 -7.8875 -7.8875 -7.5566 -7.5566 -7.3290 -7.3290 -6.2814 -6.2814 -5.0326 -5.0326 -4.5524 -4.5524 -3.8944 -3.8944 -3.7885 -3.7885 -3.5942 -3.5942 -3.3695 -3.3695 -3.1820 -3.1820 -2.8021 -2.8021 -2.6016 -2.6016 -2.2588 -2.2588 -1.8840 -1.8840 -1.7102 -1.7102 -1.5683 -1.5683 -1.2103 -1.2103 -0.6180 -0.6180 0.2905 0.2905 0.5724 0.5724 4.7070 4.7070 5.6718 5.6718 6.6570 6.6570 7.6870 7.6870 8.0941 8.0941 8.9608 8.9608 k = 0.3214-0.2816-0.0301 ( 6836 PWs) bands (ev): -20.5177 -20.5177 -20.2493 -20.2493 -19.7769 -19.7769 -19.5488 -19.5488 -14.6654 -14.6654 -12.1905 -12.1905 -11.9606 -11.9606 -9.0172 -9.0172 -8.6889 -8.6889 -8.1110 -8.1110 -7.8981 -7.8981 -7.5608 -7.5608 -7.3302 -7.3302 -6.2733 -6.2733 -5.0390 -5.0390 -4.5489 -4.5489 -3.8977 -3.8977 -3.7887 -3.7887 -3.5809 -3.5809 -3.3480 -3.3480 -3.1920 -3.1920 -2.7869 -2.7869 -2.5919 -2.5919 -2.2690 -2.2690 -1.8712 -1.8712 -1.7035 -1.7035 -1.5615 -1.5615 -1.2092 -1.2092 -0.6240 -0.6240 0.2852 0.2852 0.5435 0.5435 4.7139 4.7139 5.6467 5.6467 6.6727 6.6727 7.6056 7.6056 8.0887 8.0887 8.9916 8.9916 k = 0.3095-0.2712-0.0290 ( 6838 PWs) bands (ev): -20.5260 -20.5260 -20.2558 -20.2558 -19.7679 -19.7679 -19.5393 -19.5393 -14.6690 -14.6690 -12.1845 -12.1845 -11.9597 -11.9597 -9.0133 -9.0133 -8.6956 -8.6956 -8.1266 -8.1266 -7.9094 -7.9094 -7.5654 -7.5654 -7.3311 -7.3311 -6.2648 -6.2648 -5.0457 -5.0457 -4.5454 -4.5454 -3.9014 -3.9014 -3.7889 -3.7889 -3.5676 -3.5676 -3.3279 -3.3279 -3.2002 -3.2002 -2.7709 -2.7709 -2.5818 -2.5818 -2.2788 -2.2788 -1.8584 -1.8584 -1.6964 -1.6964 -1.5543 -1.5543 -1.2083 -1.2083 -0.6305 -0.6305 0.2798 0.2798 0.5139 0.5139 4.7200 4.7200 5.6209 5.6209 6.6892 6.6892 7.5236 7.5236 8.0850 8.0850 9.0238 9.0238 k = 0.2976-0.2608-0.0279 ( 6838 PWs) bands (ev): -20.5342 -20.5342 -20.2624 -20.2624 -19.7589 -19.7589 -19.5297 -19.5297 -14.6727 -14.6727 -12.1784 -12.1784 -11.9587 -11.9587 -9.0095 -9.0095 -8.7024 -8.7024 -8.1423 -8.1423 -7.9211 -7.9211 -7.5703 -7.5703 -7.3316 -7.3316 -6.2559 -6.2559 -5.0526 -5.0526 -4.5416 -4.5416 -3.9055 -3.9055 -3.7891 -3.7891 -3.5543 -3.5543 -3.3113 -3.3113 -3.2048 -3.2048 -2.7543 -2.7543 -2.5711 -2.5711 -2.2881 -2.2881 -1.8457 -1.8457 -1.6888 -1.6888 -1.5467 -1.5467 -1.2077 -1.2077 -0.6374 -0.6374 0.2743 0.2743 0.4839 0.4839 4.7252 4.7252 5.5945 5.5945 6.7062 6.7062 7.4415 7.4415 8.0829 8.0829 9.0571 9.0571 k = 0.2857-0.2503-0.0268 ( 6837 PWs) bands (ev): -20.5425 -20.5425 -20.2690 -20.2690 -19.7497 -19.7497 -19.5200 -19.5200 -14.6764 -14.6764 -12.1721 -12.1721 -11.9576 -11.9576 -9.0059 -9.0059 -8.7092 -8.7092 -8.1580 -8.1580 -7.9333 -7.9333 -7.5756 -7.5756 -7.3319 -7.3319 -6.2467 -6.2467 -5.0596 -5.0596 -4.5378 -4.5378 -3.9100 -3.9100 -3.7892 -3.7892 -3.5414 -3.5414 -3.3011 -3.3011 -3.2028 -3.2028 -2.7374 -2.7374 -2.5599 -2.5599 -2.2967 -2.2967 -1.8332 -1.8332 -1.6807 -1.6807 -1.5387 -1.5387 -1.2074 -1.2074 -0.6448 -0.6448 0.2688 0.2688 0.4536 0.4536 4.7294 4.7294 5.5678 5.5678 6.7236 6.7236 7.3598 7.3598 8.0827 8.0827 9.0914 9.0914 k = 0.2738-0.2399-0.0257 ( 6834 PWs) bands (ev): -20.5508 -20.5508 -20.2755 -20.2755 -19.7406 -19.7406 -19.5104 -19.5104 -14.6803 -14.6803 -12.1658 -12.1658 -11.9564 -11.9564 -9.0025 -9.0025 -8.7159 -8.7159 -8.1736 -8.1736 -7.9458 -7.9458 -7.5812 -7.5812 -7.3318 -7.3318 -6.2372 -6.2372 -5.0669 -5.0669 -4.5339 -4.5339 -3.9149 -3.9149 -3.7891 -3.7891 -3.5289 -3.5289 -3.2989 -3.2989 -3.1926 -3.1926 -2.7202 -2.7202 -2.5482 -2.5482 -2.3042 -2.3042 -1.8210 -1.8210 -1.6723 -1.6723 -1.5303 -1.5303 -1.2073 -1.2073 -0.6526 -0.6526 0.2632 0.2632 0.4232 0.4232 4.7326 4.7326 5.5409 5.5409 6.7413 6.7413 7.2791 7.2791 8.0844 8.0844 9.1265 9.1265 k = 0.2619-0.2295-0.0245 ( 6830 PWs) bands (ev): -20.5590 -20.5590 -20.2819 -20.2819 -19.7316 -19.7316 -19.5008 -19.5008 -14.6841 -14.6841 -12.1595 -12.1595 -11.9551 -11.9551 -8.9994 -8.9994 -8.7224 -8.7224 -8.1890 -8.1890 -7.9586 -7.9586 -7.5870 -7.5870 -7.3314 -7.3314 -6.2273 -6.2273 -5.0742 -5.0742 -4.5299 -4.5299 -3.9202 -3.9202 -3.7889 -3.7889 -3.5171 -3.5171 -3.3031 -3.3031 -3.1759 -3.1759 -2.7030 -2.7030 -2.5359 -2.5359 -2.3106 -2.3106 -1.8093 -1.8093 -1.6635 -1.6635 -1.5215 -1.5215 -1.2076 -1.2076 -0.6609 -0.6609 0.2575 0.2575 0.3930 0.3930 4.7347 4.7347 5.5139 5.5139 6.7591 6.7591 7.1998 7.1998 8.0882 8.0882 9.1621 9.1621 k = 0.2500-0.2190-0.0234 ( 6826 PWs) bands (ev): -20.5670 -20.5670 -20.2882 -20.2882 -19.7226 -19.7226 -19.4913 -19.4913 -14.6880 -14.6880 -12.1532 -12.1532 -11.9537 -11.9537 -8.9967 -8.9967 -8.7287 -8.7287 -8.2040 -8.2040 -7.9714 -7.9714 -7.5931 -7.5931 -7.3308 -7.3308 -6.2173 -6.2173 -5.0815 -5.0815 -4.5258 -4.5258 -3.9257 -3.9257 -3.7885 -3.7885 -3.5064 -3.5064 -3.3107 -3.3107 -3.1558 -3.1558 -2.6861 -2.6861 -2.5228 -2.5228 -2.3156 -2.3156 -1.7980 -1.7980 -1.6545 -1.6545 -1.5124 -1.5124 -1.2081 -1.2081 -0.6696 -0.6696 0.2517 0.2517 0.3633 0.3633 4.7357 4.7357 5.4870 5.4870 6.7766 6.7766 7.1224 7.1224 8.0941 8.0941 9.1979 9.1979 k = 0.2381-0.2086-0.0223 ( 6832 PWs) bands (ev): -20.5749 -20.5749 -20.2943 -20.2943 -19.7139 -19.7139 -19.4820 -19.4820 -14.6919 -14.6919 -12.1470 -12.1470 -11.9521 -11.9521 -8.9945 -8.9945 -8.7347 -8.7347 -8.2188 -8.2188 -7.9844 -7.9844 -7.5994 -7.5994 -7.3299 -7.3299 -6.2071 -6.2071 -5.0890 -5.0890 -4.5218 -4.5218 -3.9314 -3.9314 -3.7879 -3.7879 -3.4970 -3.4970 -3.3195 -3.3195 -3.1344 -3.1344 -2.6697 -2.6697 -2.5090 -2.5090 -2.3192 -2.3192 -1.7872 -1.7872 -1.6453 -1.6453 -1.5028 -1.5028 -1.2089 -1.2089 -0.6787 -0.6787 0.2456 0.2456 0.3345 0.3345 4.7355 4.7355 5.4604 5.4604 6.7935 6.7935 7.0475 7.0475 8.1022 8.1022 9.2336 9.2336 k = 0.2262-0.1982-0.0212 ( 6838 PWs) bands (ev): -20.5826 -20.5826 -20.3003 -20.3003 -19.7052 -19.7052 -19.4728 -19.4728 -14.6957 -14.6957 -12.1409 -12.1409 -11.9505 -11.9505 -8.9927 -8.9927 -8.7404 -8.7404 -8.2331 -8.2331 -7.9974 -7.9974 -7.6058 -7.6058 -7.3287 -7.3287 -6.1968 -6.1968 -5.0964 -5.0964 -4.5178 -4.5178 -3.9374 -3.9374 -3.7871 -3.7871 -3.4895 -3.4895 -3.3281 -3.3281 -3.1129 -3.1129 -2.6540 -2.6540 -2.4943 -2.4943 -2.3211 -2.3211 -1.7771 -1.7771 -1.6360 -1.6360 -1.4929 -1.4929 -1.2100 -1.2100 -0.6883 -0.6883 0.2386 0.2386 0.3071 0.3071 4.7342 4.7342 5.4342 5.4342 6.8085 6.8085 6.9763 6.9763 8.1126 8.1126 9.2673 9.2673 k = 0.2143-0.1877-0.0201 ( 6833 PWs) bands (ev): -20.5901 -20.5901 -20.3060 -20.3060 -19.6969 -19.6969 -19.4639 -19.4639 -14.6995 -14.6995 -12.1350 -12.1350 -11.9487 -11.9487 -8.9915 -8.9915 -8.7455 -8.7455 -8.2470 -8.2470 -8.0102 -8.0102 -7.6122 -7.6122 -7.3274 -7.3274 -6.1864 -6.1864 -5.1037 -5.1037 -4.5139 -4.5139 -3.9435 -3.9435 -3.7861 -3.7861 -3.4843 -3.4843 -3.3356 -3.3356 -3.0922 -3.0922 -2.6389 -2.6389 -2.4787 -2.4787 -2.3213 -2.3213 -1.7675 -1.7675 -1.6269 -1.6269 -1.4827 -1.4827 -1.2112 -1.2112 -0.6983 -0.6983 0.2296 0.2296 0.2826 0.2826 4.7319 4.7319 5.4086 5.4086 6.8172 6.8172 6.9135 6.9135 8.1252 8.1252 9.2788 9.2788 k = 0.2024-0.1773-0.0190 ( 6829 PWs) bands (ev): -20.5973 -20.5973 -20.3116 -20.3116 -19.6887 -19.6887 -19.4553 -19.4553 -14.7032 -14.7032 -12.1292 -12.1292 -11.9469 -11.9469 -8.9908 -8.9908 -8.7502 -8.7502 -8.2603 -8.2603 -8.0229 -8.0229 -7.6187 -7.6187 -7.3259 -7.3259 -6.1759 -6.1759 -5.1109 -5.1109 -4.5101 -4.5101 -3.9497 -3.9497 -3.7848 -3.7848 -3.4818 -3.4818 -3.3412 -3.3412 -3.0726 -3.0726 -2.6246 -2.6246 -2.4623 -2.4623 -2.3200 -2.3200 -1.7586 -1.7586 -1.6178 -1.6178 -1.4722 -1.4722 -1.2126 -1.2126 -0.7086 -0.7086 0.2167 0.2167 0.2631 0.2631 4.7286 4.7286 5.3837 5.3837 6.7994 6.7994 6.8795 6.8795 8.1399 8.1399 9.2651 9.2651 k = 0.1905-0.1669-0.0178 ( 6825 PWs) bands (ev): -20.6042 -20.6042 -20.3169 -20.3169 -19.6809 -19.6809 -19.4470 -19.4470 -14.7068 -14.7068 -12.1237 -12.1237 -11.9450 -11.9450 -8.9906 -8.9906 -8.7544 -8.7544 -8.2730 -8.2730 -8.0352 -8.0352 -7.6251 -7.6251 -7.3243 -7.3243 -6.1656 -6.1656 -5.1180 -5.1180 -4.5064 -4.5064 -3.9559 -3.9559 -3.7832 -3.7832 -3.4823 -3.4823 -3.3445 -3.3445 -3.0547 -3.0547 -2.6108 -2.6108 -2.4450 -2.4450 -2.3172 -2.3172 -1.7502 -1.7502 -1.6091 -1.6091 -1.4616 -1.4616 -1.2140 -1.2140 -0.7193 -0.7193 0.1984 0.1984 0.2501 0.2501 4.7243 4.7243 5.3597 5.3597 6.7477 6.7477 6.8816 6.8816 8.1567 8.1567 9.2506 9.2506 k = 0.1786-0.1565-0.0167 ( 6828 PWs) bands (ev): -20.6109 -20.6109 -20.3220 -20.3220 -19.6734 -19.6734 -19.4390 -19.4390 -14.7103 -14.7103 -12.1184 -12.1184 -11.9430 -11.9430 -8.9911 -8.9911 -8.7580 -8.7580 -8.2851 -8.2851 -8.0473 -8.0473 -7.6314 -7.6314 -7.3227 -7.3227 -6.1553 -6.1553 -5.1250 -5.1250 -4.5028 -4.5028 -3.9620 -3.9620 -3.7814 -3.7814 -3.4857 -3.4857 -3.3455 -3.3455 -3.0386 -3.0386 -2.5974 -2.5974 -2.4271 -2.4271 -2.3131 -2.3131 -1.7424 -1.7424 -1.6008 -1.6008 -1.4508 -1.4508 -1.2154 -1.2154 -0.7304 -0.7304 0.1767 0.1767 0.2419 0.2419 4.7192 4.7192 5.3367 5.3367 6.6886 6.6886 6.8936 6.8936 8.1754 8.1754 9.2372 9.2372 k = 0.1667-0.1460-0.0156 ( 6832 PWs) bands (ev): -20.6172 -20.6172 -20.3268 -20.3268 -19.6662 -19.6662 -19.4314 -19.4314 -14.7137 -14.7137 -12.1134 -12.1134 -11.9409 -11.9409 -8.9920 -8.9920 -8.7610 -8.7610 -8.2966 -8.2966 -8.0589 -8.0589 -7.6375 -7.6375 -7.3209 -7.3209 -6.1453 -6.1453 -5.1317 -5.1317 -4.4994 -4.4994 -3.9681 -3.9681 -3.7793 -3.7793 -3.4917 -3.4917 -3.3444 -3.3444 -3.0246 -3.0246 -2.5843 -2.5843 -2.4089 -2.4089 -2.3078 -2.3078 -1.7352 -1.7352 -1.5930 -1.5930 -1.4402 -1.4402 -1.2166 -1.2166 -0.7418 -0.7418 0.1539 0.1539 0.2361 0.2361 4.7133 4.7133 5.3148 5.3148 6.6301 6.6301 6.9073 6.9073 8.1956 8.1956 9.2254 9.2254 k = 0.1548-0.1356-0.0145 ( 6831 PWs) bands (ev): -20.6231 -20.6231 -20.3313 -20.3313 -19.6594 -19.6594 -19.4242 -19.4242 -14.7169 -14.7169 -12.1087 -12.1087 -11.9389 -11.9389 -8.9934 -8.9934 -8.7635 -8.7635 -8.3073 -8.3073 -8.0701 -8.0701 -7.6435 -7.6435 -7.3192 -7.3192 -6.1355 -6.1355 -5.1381 -5.1381 -4.4962 -4.4962 -3.9740 -3.9740 -3.7770 -3.7770 -3.4995 -3.4995 -3.3419 -3.3419 -3.0127 -3.0127 -2.5712 -2.5712 -2.3904 -2.3904 -2.3017 -2.3017 -1.7286 -1.7286 -1.5857 -1.5857 -1.4298 -1.4298 -1.2175 -1.2175 -0.7533 -0.7533 0.1313 0.1313 0.2317 0.2317 4.7069 4.7069 5.2942 5.2942 6.5742 6.5742 6.9212 6.9212 8.2173 8.2173 9.2151 9.2151 k = 0.1429-0.1252-0.0134 ( 6835 PWs) bands (ev): -20.6287 -20.6287 -20.3355 -20.3355 -19.6531 -19.6531 -19.4175 -19.4175 -14.7199 -14.7199 -12.1043 -12.1043 -11.9368 -11.9368 -8.9952 -8.9952 -8.7655 -8.7655 -8.3173 -8.3173 -8.0807 -8.0807 -7.6491 -7.6491 -7.3175 -7.3175 -6.1260 -6.1260 -5.1443 -5.1443 -4.4932 -4.4932 -3.9797 -3.9797 -3.7744 -3.7744 -3.5086 -3.5086 -3.3384 -3.3384 -3.0028 -3.0028 -2.5582 -2.5582 -2.3721 -2.3721 -2.2949 -2.2949 -1.7225 -1.7225 -1.5789 -1.5789 -1.4199 -1.4199 -1.2179 -1.2179 -0.7651 -0.7651 0.1096 0.1096 0.2280 0.2280 4.7000 4.7000 5.2749 5.2749 6.5214 6.5214 6.9346 6.9346 8.2399 8.2399 9.2067 9.2067 k = 0.1310-0.1147-0.0123 ( 6842 PWs) bands (ev): -20.6340 -20.6340 -20.3394 -20.3394 -19.6471 -19.6471 -19.4112 -19.4112 -14.7228 -14.7228 -12.1003 -12.1003 -11.9347 -11.9347 -8.9974 -8.9974 -8.7670 -8.7670 -8.3266 -8.3266 -8.0908 -8.0908 -7.6545 -7.6545 -7.3158 -7.3158 -6.1169 -6.1169 -5.1502 -5.1502 -4.4904 -4.4904 -3.9851 -3.9851 -3.7716 -3.7716 -3.5185 -3.5185 -3.3344 -3.3344 -2.9949 -2.9949 -2.5451 -2.5451 -2.3542 -2.3542 -2.2877 -2.2877 -1.7169 -1.7169 -1.5728 -1.5728 -1.4107 -1.4107 -1.2177 -1.2177 -0.7769 -0.7769 0.0890 0.0890 0.2250 0.2250 4.6929 4.6929 5.2570 5.2570 6.4721 6.4721 6.9473 6.9473 8.2632 8.2632 9.2002 9.2002 k = 0.1190-0.1043-0.0112 ( 6840 PWs) bands (ev): -20.6388 -20.6388 -20.3431 -20.3431 -19.6416 -19.6416 -19.4053 -19.4053 -14.7255 -14.7255 -12.0965 -12.0965 -11.9327 -11.9327 -8.9997 -8.9997 -8.7681 -8.7681 -8.3351 -8.3351 -8.1001 -8.1001 -7.6596 -7.6596 -7.3142 -7.3142 -6.1083 -6.1083 -5.1557 -5.1557 -4.4879 -4.4879 -3.9902 -3.9902 -3.7687 -3.7687 -3.5287 -3.5287 -3.3303 -3.3303 -2.9887 -2.9887 -2.5323 -2.5323 -2.3370 -2.3370 -2.2803 -2.2803 -1.7118 -1.7118 -1.5672 -1.5672 -1.4024 -1.4024 -1.2167 -1.2167 -0.7888 -0.7888 0.0699 0.0699 0.2223 0.2223 4.6856 4.6856 5.2406 5.2406 6.4265 6.4265 6.9591 6.9591 8.2866 8.2866 9.1957 9.1957 k = 0.1071-0.0939-0.0100 ( 6838 PWs) bands (ev): -20.6431 -20.6431 -20.3463 -20.3463 -19.6365 -19.6365 -19.4000 -19.4000 -14.7279 -14.7279 -12.0932 -12.0932 -11.9308 -11.9308 -9.0022 -9.0022 -8.7689 -8.7689 -8.3428 -8.3428 -8.1087 -8.1087 -7.6642 -7.6642 -7.3127 -7.3127 -6.1003 -6.1003 -5.1608 -5.1608 -4.4856 -4.4856 -3.9949 -3.9949 -3.7656 -3.7656 -3.5389 -3.5389 -3.3262 -3.3262 -2.9840 -2.9840 -2.5197 -2.5197 -2.3206 -2.3206 -2.2728 -2.2728 -1.7073 -1.7073 -1.5621 -1.5621 -1.3953 -1.3953 -1.2148 -1.2148 -0.8004 -0.8004 0.0523 0.0523 0.2201 0.2201 4.6783 4.6783 5.2256 5.2256 6.3848 6.3848 6.9701 6.9701 8.3098 8.3098 9.1932 9.1932 k = 0.0952-0.0834-0.0089 ( 6839 PWs) bands (ev): -20.6471 -20.6471 -20.3493 -20.3493 -19.6320 -19.6320 -19.3951 -19.3951 -14.7302 -14.7302 -12.0902 -12.0902 -11.9289 -11.9289 -9.0048 -9.0048 -8.7694 -8.7694 -8.3498 -8.3498 -8.1166 -8.1166 -7.6685 -7.6685 -7.3113 -7.3113 -6.0928 -6.0928 -5.1654 -5.1654 -4.4835 -4.4835 -3.9992 -3.9992 -3.7624 -3.7624 -3.5488 -3.5488 -3.3224 -3.3224 -2.9806 -2.9806 -2.5076 -2.5076 -2.3053 -2.3053 -2.2656 -2.2656 -1.7032 -1.7032 -1.5577 -1.5577 -1.3894 -1.3894 -1.2120 -1.2120 -0.8118 -0.8118 0.0363 0.0363 0.2181 0.2181 4.6712 4.6712 5.2123 5.2123 6.3471 6.3471 6.9801 6.9801 8.3322 8.3322 9.1927 9.1927 k = 0.0833-0.0730-0.0078 ( 6841 PWs) bands (ev): -20.6506 -20.6506 -20.3519 -20.3519 -19.6279 -19.6279 -19.3908 -19.3908 -14.7322 -14.7322 -12.0876 -12.0876 -11.9272 -11.9272 -9.0072 -9.0072 -8.7696 -8.7696 -8.3559 -8.3559 -8.1237 -8.1237 -7.6723 -7.6723 -7.3100 -7.3100 -6.0861 -6.0861 -5.1696 -5.1696 -4.4817 -4.4817 -4.0031 -4.0031 -3.7593 -3.7593 -3.5582 -3.5582 -3.3190 -3.3190 -2.9782 -2.9782 -2.4963 -2.4963 -2.2912 -2.2912 -2.2588 -2.2588 -1.6996 -1.6996 -1.5537 -1.5537 -1.3847 -1.3847 -1.2084 -1.2084 -0.8227 -0.8227 0.0220 0.0220 0.2165 0.2165 4.6645 4.6645 5.2004 5.2004 6.3135 6.3135 6.9890 6.9890 8.3533 8.3533 9.1942 9.1942 k = 0.0714-0.0626-0.0067 ( 6835 PWs) bands (ev): -20.6537 -20.6537 -20.3542 -20.3542 -19.6244 -19.6244 -19.3871 -19.3871 -14.7339 -14.7339 -12.0853 -12.0853 -11.9256 -11.9256 -9.0096 -9.0096 -8.7697 -8.7697 -8.3612 -8.3612 -8.1299 -8.1299 -7.6756 -7.6756 -7.3089 -7.3089 -6.0801 -6.0801 -5.1733 -5.1733 -4.4801 -4.4801 -4.0065 -4.0065 -3.7562 -3.7562 -3.5669 -3.5669 -3.3160 -3.3160 -2.9766 -2.9766 -2.4859 -2.4859 -2.2787 -2.2787 -2.2526 -2.2526 -1.6965 -1.6965 -1.5503 -1.5503 -1.3812 -1.3812 -1.2041 -1.2041 -0.8329 -0.8329 0.0095 0.0095 0.2151 0.2151 4.6583 4.6583 5.1902 5.1902 6.2842 6.2842 6.9968 6.9968 8.3727 8.3727 9.1974 9.1974 k = 0.0595-0.0522-0.0056 ( 6834 PWs) bands (ev): -20.6563 -20.6563 -20.3562 -20.3562 -19.6213 -19.6213 -19.3839 -19.3839 -14.7354 -14.7354 -12.0834 -12.0834 -11.9243 -11.9243 -9.0117 -9.0117 -8.7697 -8.7697 -8.3657 -8.3657 -8.1352 -8.1352 -7.6785 -7.6785 -7.3079 -7.3079 -6.0749 -6.0749 -5.1765 -5.1765 -4.4788 -4.4788 -4.0094 -4.0094 -3.7532 -3.7532 -3.5747 -3.5747 -3.3134 -3.3134 -2.9755 -2.9755 -2.4767 -2.4767 -2.2677 -2.2677 -2.2471 -2.2471 -1.6939 -1.6939 -1.5474 -1.5474 -1.3788 -1.3788 -1.1996 -1.1996 -0.8422 -0.8422 -0.0012 -0.0012 0.2140 0.2140 4.6528 4.6528 5.1815 5.1815 6.2593 6.2593 7.0035 7.0035 8.3899 8.3899 9.2019 9.2019 k = 0.0476-0.0417-0.0045 ( 6838 PWs) bands (ev): -20.6585 -20.6585 -20.3578 -20.3578 -19.6189 -19.6189 -19.3812 -19.3812 -14.7366 -14.7366 -12.0818 -12.0818 -11.9231 -11.9231 -9.0135 -9.0135 -8.7697 -8.7697 -8.3694 -8.3694 -8.1396 -8.1396 -7.6809 -7.6809 -7.3071 -7.3071 -6.0706 -6.0706 -5.1792 -5.1792 -4.4778 -4.4778 -4.0119 -4.0119 -3.7506 -3.7506 -3.5814 -3.5814 -3.3113 -3.3113 -2.9749 -2.9749 -2.4689 -2.4689 -2.2585 -2.2585 -2.2424 -2.2424 -1.6918 -1.6918 -1.5450 -1.5450 -1.3772 -1.3772 -1.1952 -1.1952 -0.8504 -0.8504 -0.0100 -0.0100 0.2131 0.2131 4.6481 4.6481 5.1745 5.1745 6.2388 6.2388 7.0090 7.0090 8.4045 8.4045 9.2072 9.2072 k = 0.0357-0.0313-0.0033 ( 6836 PWs) bands (ev): -20.6602 -20.6602 -20.3590 -20.3590 -19.6169 -19.6169 -19.3792 -19.3792 -14.7376 -14.7376 -12.0806 -12.0806 -11.9222 -11.9222 -9.0150 -9.0150 -8.7696 -8.7696 -8.3723 -8.3723 -8.1430 -8.1430 -7.6828 -7.6828 -7.3064 -7.3064 -6.0672 -6.0672 -5.1812 -5.1812 -4.4770 -4.4770 -4.0138 -4.0138 -3.7483 -3.7483 -3.5868 -3.5868 -3.3097 -3.3097 -2.9746 -2.9746 -2.4627 -2.4627 -2.2511 -2.2511 -2.2388 -2.2388 -1.6901 -1.6901 -1.5432 -1.5432 -1.3763 -1.3763 -1.1912 -1.1912 -0.8571 -0.8571 -0.0168 -0.0168 0.2124 0.2124 4.6444 4.6444 5.1690 5.1690 6.2228 6.2228 7.0133 7.0133 8.4162 8.4162 9.2127 9.2127 k = 0.0238-0.0209-0.0022 ( 6840 PWs) bands (ev): -20.6614 -20.6614 -20.3599 -20.3599 -19.6155 -19.6155 -19.3777 -19.3777 -14.7383 -14.7383 -12.0797 -12.0797 -11.9216 -11.9216 -9.0161 -9.0161 -8.7695 -8.7695 -8.3743 -8.3743 -8.1455 -8.1455 -7.6841 -7.6841 -7.3060 -7.3060 -6.0647 -6.0647 -5.1827 -5.1827 -4.4764 -4.4764 -4.0151 -4.0151 -3.7466 -3.7466 -3.5908 -3.5908 -3.3085 -3.3085 -2.9744 -2.9744 -2.4582 -2.4582 -2.2457 -2.2457 -2.2363 -2.2363 -1.6889 -1.6889 -1.5418 -1.5418 -1.3758 -1.3758 -1.1880 -1.1880 -0.8621 -0.8621 -0.0218 -0.0218 0.2119 0.2119 4.6416 4.6416 5.1650 5.1650 6.2113 6.2113 7.0164 7.0164 8.4248 8.4248 9.2175 9.2175 k = 0.0119-0.0104-0.0011 ( 6837 PWs) bands (ev): -20.6621 -20.6621 -20.3605 -20.3605 -19.6147 -19.6147 -19.3768 -19.3768 -14.7387 -14.7387 -12.0792 -12.0792 -11.9212 -11.9212 -9.0167 -9.0167 -8.7694 -8.7694 -8.3756 -8.3756 -8.1470 -8.1470 -7.6849 -7.6849 -7.3057 -7.3057 -6.0632 -6.0632 -5.1836 -5.1836 -4.4760 -4.4760 -4.0159 -4.0159 -3.7455 -3.7455 -3.5933 -3.5933 -3.3078 -3.3078 -2.9743 -2.9743 -2.4554 -2.4554 -2.2423 -2.2423 -2.2348 -2.2348 -1.6882 -1.6882 -1.5410 -1.5410 -1.3755 -1.3755 -1.1860 -1.1860 -0.8652 -0.8652 -0.0247 -0.0247 0.2116 0.2116 4.6399 4.6399 5.1627 5.1627 6.2044 6.2044 7.0183 7.0183 8.4300 8.4300 9.2208 9.2208 k = 0.0000 0.0000 0.0000 ( 6833 PWs) bands (ev): -20.6623 -20.6623 -20.3606 -20.3606 -19.6144 -19.6144 -19.3765 -19.3765 -14.7389 -14.7389 -12.0790 -12.0790 -11.9210 -11.9210 -9.0169 -9.0169 -8.7694 -8.7694 -8.3760 -8.3760 -8.1475 -8.1475 -7.6852 -7.6852 -7.3056 -7.3056 -6.0627 -6.0627 -5.1839 -5.1839 -4.4759 -4.4759 -4.0162 -4.0162 -3.7451 -3.7451 -3.5941 -3.5941 -3.3076 -3.3076 -2.9743 -2.9743 -2.4545 -2.4545 -2.2411 -2.2411 -2.2343 -2.2343 -1.6880 -1.6880 -1.5407 -1.5407 -1.3755 -1.3755 -1.1853 -1.1853 -0.8662 -0.8662 -0.0257 -0.0257 0.2115 0.2115 4.6393 4.6393 5.1619 5.1619 6.2021 6.2021 7.0189 7.0189 8.4317 8.4317 9.2219 9.2219 k = 0.0000 0.0000 0.0000 ( 6833 PWs) bands (ev): -20.6623 -20.6623 -20.3606 -20.3606 -19.6144 -19.6144 -19.3765 -19.3765 -14.7389 -14.7389 -12.0790 -12.0790 -11.9210 -11.9210 -9.0169 -9.0169 -8.7694 -8.7694 -8.3760 -8.3760 -8.1475 -8.1475 -7.6852 -7.6852 -7.3056 -7.3056 -6.0627 -6.0627 -5.1839 -5.1839 -4.4759 -4.4759 -4.0162 -4.0162 -3.7451 -3.7451 -3.5941 -3.5941 -3.3076 -3.3076 -2.9743 -2.9743 -2.4545 -2.4545 -2.2411 -2.2411 -2.2343 -2.2343 -1.6880 -1.6880 -1.5407 -1.5407 -1.3755 -1.3755 -1.1853 -1.1853 -0.8662 -0.8662 -0.0257 -0.0257 0.2115 0.2115 4.6393 4.6393 5.1619 5.1619 6.2021 6.2021 7.0189 7.0189 8.4317 8.4317 9.2219 9.2219 k =-0.0139-0.0009 0.0076 ( 6836 PWs) bands (ev): -20.6620 -20.6620 -20.3604 -20.3604 -19.6148 -19.6148 -19.3769 -19.3769 -14.7387 -14.7387 -12.0793 -12.0793 -11.9211 -11.9211 -9.0166 -9.0166 -8.7693 -8.7693 -8.3754 -8.3754 -8.1468 -8.1468 -7.6849 -7.6849 -7.3059 -7.3059 -6.0631 -6.0631 -5.1837 -5.1837 -4.4761 -4.4761 -4.0158 -4.0158 -3.7456 -3.7456 -3.5936 -3.5936 -3.3075 -3.3075 -2.9746 -2.9746 -2.4558 -2.4558 -2.2441 -2.2441 -2.2334 -2.2334 -1.6878 -1.6878 -1.5412 -1.5412 -1.3755 -1.3755 -1.1859 -1.1859 -0.8649 -0.8649 -0.0245 -0.0245 0.2111 0.2111 4.6392 4.6392 5.1631 5.1631 6.2042 6.2042 7.0192 7.0192 8.4304 8.4304 9.2114 9.2114 k =-0.0278-0.0018 0.0152 ( 6840 PWs) bands (ev): -20.6612 -20.6612 -20.3595 -20.3595 -19.6160 -19.6160 -19.3780 -19.3780 -14.7383 -14.7383 -12.0801 -12.0801 -11.9213 -11.9213 -9.0155 -9.0155 -8.7688 -8.7688 -8.3736 -8.3736 -8.1448 -8.1448 -7.6840 -7.6840 -7.3070 -7.3070 -6.0641 -6.0641 -5.1831 -5.1831 -4.4765 -4.4765 -4.0148 -4.0148 -3.7470 -3.7470 -3.5923 -3.5923 -3.3071 -3.3071 -2.9756 -2.9756 -2.4597 -2.4597 -2.2506 -2.2506 -2.2328 -2.2328 -1.6872 -1.6872 -1.5427 -1.5427 -1.3756 -1.3756 -1.1879 -1.1879 -0.8612 -0.8612 -0.0207 -0.0207 0.2099 0.2099 4.6386 4.6386 5.1665 5.1665 6.2106 6.2106 7.0203 7.0203 8.4267 8.4267 9.1833 9.1833 k =-0.0417-0.0028 0.0228 ( 6842 PWs) bands (ev): -20.6597 -20.6597 -20.3582 -20.3582 -19.6181 -19.6181 -19.3799 -19.3799 -14.7375 -14.7375 -12.0814 -12.0814 -11.9217 -11.9217 -9.0136 -9.0136 -8.7680 -8.7680 -8.3706 -8.3706 -8.1415 -8.1415 -7.6826 -7.6826 -7.3088 -7.3088 -6.0658 -6.0658 -5.1822 -5.1822 -4.4773 -4.4773 -4.0130 -4.0130 -3.7492 -3.7492 -3.5900 -3.5900 -3.3066 -3.3066 -2.9773 -2.9773 -2.4662 -2.4662 -2.2592 -2.2592 -2.2339 -2.2339 -1.6863 -1.6863 -1.5451 -1.5451 -1.3758 -1.3758 -1.1910 -1.1910 -0.8552 -0.8552 -0.0147 -0.0147 0.2079 0.2079 4.6377 4.6377 5.1723 5.1723 6.2212 6.2212 7.0221 7.0221 8.4204 8.4204 9.1446 9.1446 k =-0.0556-0.0037 0.0304 ( 6845 PWs) bands (ev): -20.6576 -20.6576 -20.3563 -20.3563 -19.6209 -19.6209 -19.3825 -19.3825 -14.7364 -14.7364 -12.0833 -12.0833 -11.9223 -11.9223 -9.0112 -9.0112 -8.7668 -8.7668 -8.3664 -8.3664 -8.1368 -8.1368 -7.6806 -7.6806 -7.3112 -7.3112 -6.0682 -6.0682 -5.1808 -5.1808 -4.4785 -4.4785 -4.0104 -4.0104 -3.7522 -3.7522 -3.5868 -3.5868 -3.3060 -3.3060 -2.9796 -2.9796 -2.4751 -2.4751 -2.2695 -2.2695 -2.2368 -2.2368 -1.6852 -1.6852 -1.5487 -1.5487 -1.3761 -1.3761 -1.1951 -1.1951 -0.8470 -0.8470 -0.0064 -0.0064 0.2054 0.2054 4.6363 4.6363 5.1803 5.1803 6.2360 6.2360 7.0245 7.0245 8.4116 8.4116 9.1002 9.1002 k =-0.0694-0.0046 0.0380 ( 6841 PWs) bands (ev): -20.6550 -20.6550 -20.3539 -20.3539 -19.6245 -19.6245 -19.3858 -19.3858 -14.7351 -14.7351 -12.0857 -12.0857 -11.9229 -11.9229 -9.0081 -9.0081 -8.7652 -8.7652 -8.3611 -8.3611 -8.1309 -8.1309 -7.6781 -7.6781 -7.3143 -7.3143 -6.0712 -6.0712 -5.1790 -5.1790 -4.4799 -4.4799 -4.0071 -4.0071 -3.7560 -3.7560 -3.5829 -3.5829 -3.3052 -3.3052 -2.9827 -2.9827 -2.4863 -2.4863 -2.2813 -2.2813 -2.2415 -2.2415 -1.6838 -1.6838 -1.5533 -1.5533 -1.3765 -1.3765 -1.1999 -1.1999 -0.8369 -0.8369 0.0037 0.0037 0.2025 0.2025 4.6345 4.6345 5.1907 5.1907 6.2549 6.2549 7.0278 7.0278 8.4003 8.4003 9.0533 9.0533 k =-0.0833-0.0055 0.0456 ( 6842 PWs) bands (ev): -20.6518 -20.6518 -20.3509 -20.3509 -19.6289 -19.6289 -19.3899 -19.3899 -14.7335 -14.7335 -12.0887 -12.0887 -11.9236 -11.9236 -9.0046 -9.0046 -8.7632 -8.7632 -8.3546 -8.3546 -8.1237 -8.1237 -7.6751 -7.6751 -7.3179 -7.3179 -6.0749 -6.0749 -5.1770 -5.1770 -4.4818 -4.4818 -4.0030 -4.0030 -3.7605 -3.7605 -3.5782 -3.5782 -3.3045 -3.3045 -2.9866 -2.9866 -2.4995 -2.4995 -2.2943 -2.2943 -2.2480 -2.2480 -1.6823 -1.6823 -1.5592 -1.5592 -1.3771 -1.3771 -1.2052 -1.2052 -0.8252 -0.8252 0.0153 0.0153 0.1996 0.1996 4.6322 4.6322 5.2033 5.2033 6.2778 6.2778 7.0317 7.0317 8.3865 8.3865 9.0056 9.0056 k =-0.0972-0.0065 0.0532 ( 6841 PWs) bands (ev): -20.6480 -20.6480 -20.3474 -20.3474 -19.6341 -19.6341 -19.3946 -19.3946 -14.7316 -14.7316 -12.0923 -12.0923 -11.9243 -11.9243 -9.0007 -9.0007 -8.7606 -8.7606 -8.3470 -8.3470 -8.1153 -8.1153 -7.6715 -7.6715 -7.3221 -7.3221 -6.0793 -6.0793 -5.1746 -5.1746 -4.4841 -4.4841 -3.9981 -3.9981 -3.7657 -3.7657 -3.5728 -3.5728 -3.3039 -3.3039 -2.9915 -2.9915 -2.5146 -2.5146 -2.3081 -2.3081 -2.2559 -2.2559 -1.6807 -1.6807 -1.5663 -1.5663 -1.3778 -1.3778 -1.2109 -1.2109 -0.8121 -0.8121 0.0278 0.0278 0.1973 0.1973 4.6293 4.6293 5.2182 5.2182 6.3048 6.3048 7.0365 7.0365 8.3703 8.3703 8.9581 8.9581 k =-0.1111-0.0074 0.0607 ( 6830 PWs) bands (ev): -20.6437 -20.6437 -20.3435 -20.3435 -19.6399 -19.6399 -19.4000 -19.4000 -14.7294 -14.7294 -12.0963 -12.0963 -11.9250 -11.9250 -8.9965 -8.9965 -8.7574 -8.7574 -8.3384 -8.3384 -8.1058 -8.1058 -7.6675 -7.6675 -7.3268 -7.3268 -6.0843 -6.0843 -5.1720 -5.1720 -4.4868 -4.4868 -3.9924 -3.9924 -3.7714 -3.7714 -3.5668 -3.5668 -3.3034 -3.3034 -2.9972 -2.9972 -2.5312 -2.5312 -2.3226 -2.3226 -2.2653 -2.2653 -1.6793 -1.6793 -1.5746 -1.5746 -1.3787 -1.3787 -1.2168 -1.2168 -0.7979 -0.7979 0.0402 0.0402 0.1962 0.1962 4.6259 4.6259 5.2352 5.2352 6.3356 6.3356 7.0420 7.0420 8.3517 8.3517 8.9117 8.9117 k =-0.1250-0.0083 0.0683 ( 6836 PWs) bands (ev): -20.6388 -20.6388 -20.3390 -20.3390 -19.6465 -19.6465 -19.4061 -19.4061 -14.7270 -14.7270 -12.1010 -12.1010 -11.9257 -11.9257 -8.9922 -8.9922 -8.7536 -8.7536 -8.3288 -8.3288 -8.0952 -8.0952 -7.6630 -7.6630 -7.3318 -7.3318 -6.0899 -6.0899 -5.1691 -5.1691 -4.4899 -4.4899 -3.9858 -3.9858 -3.7776 -3.7776 -3.5602 -3.5602 -3.3032 -3.3032 -3.0041 -3.0041 -2.5490 -2.5490 -2.3375 -2.3375 -2.2759 -2.2759 -1.6781 -1.6781 -1.5840 -1.5840 -1.3798 -1.3798 -1.2227 -1.2227 -0.7828 -0.7828 0.0512 0.0512 0.1976 0.1976 4.6220 4.6220 5.2545 5.2545 6.3703 6.3703 7.0483 7.0483 8.3308 8.3308 8.8668 8.8668 k =-0.1389-0.0092 0.0759 ( 6837 PWs) bands (ev): -20.6335 -20.6335 -20.3341 -20.3341 -19.6538 -19.6538 -19.4127 -19.4127 -14.7244 -14.7244 -12.1062 -12.1062 -11.9264 -11.9264 -8.9879 -8.9879 -8.7490 -8.7490 -8.3182 -8.3182 -8.0836 -8.0836 -7.6581 -7.6581 -7.3372 -7.3372 -6.0961 -6.0961 -5.1661 -5.1661 -4.4934 -4.4934 -3.9786 -3.9786 -3.7843 -3.7843 -3.5530 -3.5530 -3.3035 -3.3035 -3.0121 -3.0121 -2.5678 -2.5678 -2.3525 -2.3525 -2.2875 -2.2875 -1.6773 -1.6773 -1.5945 -1.5945 -1.3811 -1.3811 -1.2287 -1.2287 -0.7670 -0.7670 0.0596 0.0596 0.2029 0.2029 4.6174 4.6174 5.2758 5.2758 6.4085 6.4085 7.0554 7.0554 8.3079 8.3079 8.8236 8.8236 k =-0.1528-0.0101 0.0835 ( 6830 PWs) bands (ev): -20.6276 -20.6276 -20.3287 -20.3287 -19.6616 -19.6616 -19.4200 -19.4200 -14.7216 -14.7216 -12.1119 -12.1119 -11.9269 -11.9269 -8.9838 -8.9838 -8.7435 -8.7435 -8.3067 -8.3067 -8.0711 -8.0711 -7.6529 -7.6529 -7.3428 -7.3428 -6.1029 -6.1029 -5.1630 -5.1630 -4.4974 -4.4974 -3.9706 -3.9706 -3.7914 -3.7914 -3.5454 -3.5454 -3.3042 -3.3042 -3.0213 -3.0213 -2.5872 -2.5871 -2.3672 -2.3672 -2.2999 -2.2999 -1.6773 -1.6773 -1.6057 -1.6057 -1.3825 -1.3825 -1.2346 -1.2346 -0.7506 -0.7506 0.0640 0.0640 0.2130 0.2130 4.6121 4.6121 5.2990 5.2990 6.4503 6.4503 7.0634 7.0634 8.2830 8.2830 8.7824 8.7824 k =-0.1667-0.0111 0.0911 ( 6827 PWs) bands (ev): -20.6213 -20.6213 -20.3229 -20.3229 -19.6701 -19.6701 -19.4277 -19.4277 -14.7185 -14.7185 -12.1181 -12.1181 -11.9273 -11.9273 -8.9800 -8.9800 -8.7372 -8.7372 -8.2943 -8.2943 -8.0577 -8.0577 -7.6473 -7.6473 -7.3486 -7.3486 -6.1101 -6.1101 -5.1597 -5.1597 -4.5018 -4.5018 -3.9620 -3.9620 -3.7988 -3.7988 -3.5372 -3.5372 -3.3055 -3.3055 -3.0319 -3.0319 -2.6067 -2.6067 -2.3816 -2.3816 -2.3131 -2.3131 -1.6784 -1.6784 -1.6173 -1.6173 -1.3842 -1.3842 -1.2404 -1.2404 -0.7339 -0.7339 0.0642 0.0642 0.2282 0.2282 4.6063 4.6063 5.3242 5.3242 6.4954 6.4954 7.0721 7.0721 8.2566 8.2566 8.7432 8.7432 k =-0.1806-0.0120 0.0987 ( 6823 PWs) bands (ev): -20.6145 -20.6145 -20.3166 -20.3166 -19.6791 -19.6791 -19.4360 -19.4360 -14.7153 -14.7153 -12.1248 -12.1248 -11.9276 -11.9276 -8.9765 -8.9765 -8.7300 -8.7300 -8.2812 -8.2812 -8.0437 -8.0437 -7.6414 -7.6414 -7.3545 -7.3545 -6.1179 -6.1179 -5.1564 -5.1564 -4.5066 -4.5066 -3.9529 -3.9529 -3.8064 -3.8064 -3.5287 -3.5287 -3.3074 -3.3074 -3.0439 -3.0439 -2.6262 -2.6262 -2.3953 -2.3953 -2.3268 -2.3268 -1.6815 -1.6815 -1.6283 -1.6283 -1.3860 -1.3860 -1.2463 -1.2463 -0.7170 -0.7170 0.0605 0.0605 0.2479 0.2479 4.5999 4.5999 5.3511 5.3511 6.5437 6.5437 7.0817 7.0817 8.2288 8.2288 8.7060 8.7060 k =-0.1944-0.0129 0.1063 ( 6819 PWs) bands (ev): -20.6073 -20.6073 -20.3100 -20.3100 -19.6886 -19.6886 -19.4448 -19.4448 -14.7120 -14.7120 -12.1319 -12.1319 -11.9278 -11.9278 -8.9736 -8.9736 -8.7220 -8.7220 -8.2673 -8.2673 -8.0289 -8.0289 -7.6352 -7.6352 -7.3604 -7.3604 -6.1261 -6.1261 -5.1531 -5.1531 -4.5118 -4.5118 -3.9437 -3.9437 -3.8141 -3.8141 -3.5196 -3.5196 -3.3101 -3.3101 -3.0572 -3.0572 -2.6452 -2.6452 -2.4081 -2.4081 -2.3410 -2.3410 -1.6875 -1.6875 -1.6376 -1.6376 -1.3879 -1.3879 -1.2522 -1.2522 -0.7000 -0.7000 0.0540 0.0540 0.2711 0.2711 4.5929 4.5929 5.3796 5.3796 6.5949 6.5949 7.0920 7.0920 8.2001 8.2001 8.6707 8.6707 k =-0.2083-0.0138 0.1139 ( 6815 PWs) bands (ev): -20.5998 -20.5998 -20.3031 -20.3031 -19.6986 -19.6986 -19.4540 -19.4540 -14.7085 -14.7085 -12.1393 -12.1393 -11.9278 -11.9278 -8.9711 -8.9711 -8.7130 -8.7130 -8.2527 -8.2527 -8.0137 -8.0137 -7.6289 -7.6289 -7.3663 -7.3663 -6.1346 -6.1346 -5.1498 -5.1498 -4.5173 -4.5173 -3.9345 -3.9345 -3.8217 -3.8217 -3.5102 -3.5102 -3.3136 -3.3136 -3.0720 -3.0720 -2.6635 -2.6635 -2.4200 -2.4200 -2.3555 -2.3555 -1.6971 -1.6971 -1.6446 -1.6446 -1.3899 -1.3899 -1.2581 -1.2581 -0.6830 -0.6830 0.0453 0.0453 0.2968 0.2968 4.5853 4.5853 5.4096 5.4096 6.6490 6.6490 7.1032 7.1032 8.1707 8.1707 8.6373 8.6373 k =-0.2222-0.0147 0.1215 ( 6814 PWs) bands (ev): -20.5919 -20.5919 -20.2958 -20.2958 -19.7090 -19.7090 -19.4635 -19.4635 -14.7049 -14.7049 -12.1470 -12.1470 -11.9277 -11.9277 -8.9693 -8.9693 -8.7033 -8.7033 -8.2375 -8.2375 -7.9982 -7.9982 -7.6224 -7.6224 -7.3721 -7.3721 -6.1435 -6.1435 -5.1465 -5.1465 -4.5230 -4.5230 -3.9258 -3.9258 -3.8288 -3.8288 -3.5004 -3.5004 -3.3178 -3.3178 -3.0880 -3.0880 -2.6807 -2.6807 -2.4308 -2.4308 -2.3701 -2.3701 -1.7102 -1.7102 -1.6492 -1.6492 -1.3920 -1.3920 -1.2641 -1.2641 -0.6661 -0.6661 0.0352 0.0352 0.3243 0.3243 4.5773 4.5773 5.4409 5.4409 6.7054 6.7054 7.1153 7.1153 8.1412 8.1412 8.6055 8.6055 k =-0.2361-0.0157 0.1291 ( 6815 PWs) bands (ev): -20.5836 -20.5836 -20.2883 -20.2883 -19.7197 -19.7197 -19.4734 -19.4734 -14.7013 -14.7013 -12.1550 -12.1550 -11.9275 -11.9275 -8.9680 -8.9680 -8.6929 -8.6929 -8.2218 -8.2218 -7.9824 -7.9824 -7.6158 -7.6158 -7.3777 -7.3777 -6.1526 -6.1526 -5.1434 -5.1434 -4.5290 -4.5290 -3.9184 -3.9184 -3.8349 -3.8349 -3.4904 -3.4904 -3.3227 -3.3227 -3.1051 -3.1051 -2.6966 -2.6966 -2.4404 -2.4404 -2.3848 -2.3848 -1.7256 -1.7256 -1.6524 -1.6524 -1.3941 -1.3941 -1.2702 -1.2702 -0.6495 -0.6495 0.0241 0.0241 0.3530 0.3530 4.5688 4.5688 5.4732 5.4732 6.7640 6.7640 7.1283 7.1283 8.1117 8.1117 8.5752 8.5752 k =-0.2500-0.0166 0.1367 ( 6812 PWs) bands (ev): -20.5751 -20.5751 -20.2805 -20.2805 -19.7307 -19.7307 -19.4835 -19.4835 -14.6976 -14.6976 -12.1631 -12.1631 -11.9271 -11.9271 -8.9673 -8.9673 -8.6818 -8.6818 -8.2057 -8.2057 -7.9666 -7.9666 -7.6091 -7.6091 -7.3831 -7.3831 -6.1618 -6.1618 -5.1404 -5.1404 -4.5352 -4.5352 -3.9131 -3.9131 -3.8391 -3.8391 -3.4802 -3.4802 -3.3283 -3.3283 -3.1231 -3.1231 -2.7111 -2.7111 -2.4491 -2.4491 -2.3995 -2.3995 -1.7426 -1.7426 -1.6549 -1.6549 -1.3962 -1.3962 -1.2764 -1.2764 -0.6332 -0.6332 0.0124 0.0124 0.3825 0.3825 4.5600 4.5600 5.5063 5.5063 6.8241 6.8241 7.1424 7.1424 8.0828 8.0828 8.5465 8.5465 k =-0.2639-0.0175 0.1443 ( 6809 PWs) bands (ev): -20.5664 -20.5664 -20.2725 -20.2725 -19.7420 -19.7420 -19.4938 -19.4938 -14.6939 -14.6939 -12.1713 -12.1713 -11.9266 -11.9266 -8.9671 -8.9671 -8.6703 -8.6703 -8.1892 -8.1892 -7.9508 -7.9508 -7.6024 -7.6024 -7.3882 -7.3882 -6.1711 -6.1711 -5.1376 -5.1376 -4.5414 -4.5414 -3.9111 -3.9111 -3.8404 -3.8404 -3.4699 -3.4699 -3.3345 -3.3345 -3.1417 -3.1417 -2.7240 -2.7240 -2.4570 -2.4570 -2.4137 -2.4137 -1.7604 -1.7604 -1.6572 -1.6572 -1.3982 -1.3982 -1.2827 -1.2827 -0.6173 -0.6173 0.0003 0.0003 0.4122 0.4122 4.5508 4.5508 5.5401 5.5401 6.8852 6.8852 7.1581 7.1581 8.0546 8.0546 8.5191 8.5191 k =-0.2778-0.0184 0.1519 ( 6807 PWs) bands (ev): -20.5576 -20.5576 -20.2643 -20.2643 -19.7533 -19.7533 -19.5043 -19.5043 -14.6902 -14.6902 -12.1796 -12.1796 -11.9261 -11.9261 -8.9673 -8.9673 -8.6585 -8.6585 -8.1725 -8.1725 -7.9352 -7.9352 -7.5958 -7.5958 -7.3931 -7.3931 -6.1805 -6.1805 -5.1350 -5.1350 -4.5477 -4.5477 -3.9128 -3.9128 -3.8385 -3.8385 -3.4600 -3.4600 -3.3410 -3.3410 -3.1603 -3.1603 -2.7353 -2.7353 -2.4646 -2.4646 -2.4270 -2.4270 -1.7787 -1.7787 -1.6594 -1.6594 -1.4000 -1.4000 -1.2892 -1.2892 -0.6019 -0.6019 -0.0120 -0.0120 0.4420 0.4420 4.5415 4.5415 5.5743 5.5743 6.9460 6.9460 7.1761 7.1761 8.0275 8.0275 8.4932 8.4932 k =-0.2917-0.0194 0.1595 ( 6807 PWs) bands (ev): -20.5486 -20.5486 -20.2561 -20.2561 -19.7648 -19.7648 -19.5148 -19.5148 -14.6865 -14.6865 -12.1878 -12.1878 -11.9254 -11.9254 -8.9680 -8.9680 -8.6465 -8.6465 -8.1556 -8.1556 -7.9199 -7.9199 -7.5892 -7.5892 -7.3976 -7.3976 -6.1897 -6.1897 -5.1325 -5.1325 -4.5539 -4.5539 -3.9179 -3.9179 -3.8340 -3.8340 -3.4508 -3.4508 -3.3475 -3.3475 -3.1784 -3.1784 -2.7450 -2.7450 -2.4729 -2.4729 -2.4386 -2.4386 -1.7971 -1.7971 -1.6618 -1.6618 -1.4017 -1.4017 -1.2958 -1.2958 -0.5871 -0.5871 -0.0242 -0.0242 0.4715 0.4715 4.5321 4.5321 5.6086 5.6086 7.0047 7.0047 7.1978 7.1978 8.0017 8.0017 8.4687 8.4687 k =-0.3056-0.0203 0.1671 ( 6811 PWs) bands (ev): -20.5395 -20.5395 -20.2478 -20.2478 -19.7762 -19.7762 -19.5253 -19.5253 -14.6829 -14.6829 -12.1958 -12.1958 -11.9247 -11.9247 -8.9690 -8.9690 -8.6345 -8.6345 -8.1387 -8.1387 -7.9052 -7.9052 -7.5828 -7.5828 -7.4018 -7.4018 -6.1988 -6.1988 -5.1303 -5.1303 -4.5601 -4.5601 -3.9253 -3.9253 -3.8278 -3.8278 -3.4430 -3.4430 -3.3537 -3.3537 -3.1954 -3.1954 -2.7531 -2.7531 -2.4831 -2.4831 -2.4473 -2.4473 -1.8154 -1.8154 -1.6644 -1.6644 -1.4033 -1.4033 -1.3024 -1.3024 -0.5729 -0.5729 -0.0362 -0.0362 0.5004 0.5004 4.5227 4.5227 5.6428 5.6428 7.0581 7.0581 7.2260 7.2260 7.9775 7.9775 8.4458 8.4458 k =-0.3194-0.0212 0.1746 ( 6808 PWs) bands (ev): -20.5305 -20.5305 -20.2396 -20.2396 -19.7875 -19.7875 -19.5357 -19.5357 -14.6794 -14.6794 -12.2037 -12.2037 -11.9240 -11.9240 -8.9703 -8.9703 -8.6227 -8.6227 -8.1218 -8.1218 -7.8912 -7.8912 -7.5765 -7.5765 -7.4057 -7.4057 -6.2076 -6.2076 -5.1283 -5.1283 -4.5661 -4.5661 -3.9340 -3.9340 -3.8209 -3.8209 -3.4373 -3.4373 -3.3594 -3.3594 -3.2103 -3.2103 -2.7597 -2.7597 -2.4956 -2.4956 -2.4528 -2.4528 -1.8334 -1.8334 -1.6672 -1.6672 -1.4045 -1.4045 -1.3091 -1.3091 -0.5595 -0.5595 -0.0480 -0.0480 0.5285 0.5285 4.5134 4.5134 5.6765 5.6765 7.1023 7.1023 7.2640 7.2640 7.9552 7.9552 8.4247 8.4247 k =-0.3333-0.0221 0.1822 ( 6812 PWs) bands (ev): -20.5216 -20.5216 -20.2314 -20.2314 -19.7986 -19.7986 -19.5459 -19.5459 -14.6760 -14.6760 -12.2112 -12.2112 -11.9232 -11.9232 -8.9718 -8.9718 -8.6111 -8.6111 -8.1052 -8.1052 -7.8779 -7.8779 -7.5704 -7.5704 -7.4092 -7.4092 -6.2160 -6.2160 -5.1266 -5.1266 -4.5719 -4.5719 -3.9436 -3.9436 -3.8139 -3.8139 -3.4346 -3.4346 -3.3644 -3.3644 -3.2221 -3.2221 -2.7649 -2.7649 -2.5096 -2.5096 -2.4559 -2.4559 -1.8508 -1.8508 -1.6702 -1.6702 -1.4055 -1.4055 -1.3158 -1.3158 -0.5468 -0.5468 -0.0593 -0.0593 0.5555 0.5555 4.5042 4.5042 5.7095 5.7095 7.1355 7.1355 7.3129 7.3129 7.9349 7.9349 8.4056 8.4056 k =-0.3472-0.0230 0.1898 ( 6810 PWs) bands (ev): -20.5129 -20.5129 -20.2235 -20.2235 -19.8094 -19.8094 -19.5558 -19.5558 -14.6728 -14.6728 -12.2185 -12.2185 -11.9225 -11.9225 -8.9734 -8.9734 -8.5999 -8.5999 -8.0889 -8.0889 -7.8656 -7.8656 -7.5644 -7.5644 -7.4124 -7.4124 -6.2241 -6.2241 -5.1250 -5.1250 -4.5775 -4.5775 -3.9535 -3.9535 -3.8072 -3.8072 -3.4352 -3.4352 -3.3690 -3.3690 -3.2298 -3.2298 -2.7688 -2.7688 -2.5247 -2.5247 -2.4572 -2.4572 -1.8676 -1.8676 -1.6733 -1.6733 -1.4061 -1.4061 -1.3226 -1.3226 -0.5350 -0.5350 -0.0700 -0.0700 0.5813 0.5813 4.4953 4.4953 5.7415 5.7415 7.1598 7.1598 7.3700 7.3700 7.9169 7.9169 8.3891 8.3891 k =-0.3611-0.0240 0.1974 ( 6813 PWs) bands (ev): -20.5045 -20.5045 -20.2158 -20.2158 -19.8198 -19.8198 -19.5654 -19.5654 -14.6697 -14.6697 -12.2253 -12.2253 -11.9217 -11.9217 -8.9751 -8.9751 -8.5893 -8.5893 -8.0731 -8.0731 -7.8542 -7.8542 -7.5588 -7.5588 -7.4153 -7.4153 -6.2317 -6.2317 -5.1236 -5.1236 -4.5827 -4.5827 -3.9634 -3.9634 -3.8010 -3.8010 -3.4386 -3.4386 -3.3741 -3.3741 -3.2327 -3.2327 -2.7716 -2.7716 -2.5402 -2.5402 -2.4575 -2.4575 -1.8834 -1.8834 -1.6765 -1.6765 -1.4064 -1.4064 -1.3293 -1.3293 -0.5240 -0.5240 -0.0802 -0.0802 0.6056 0.6056 4.4868 4.4868 5.7721 5.7721 7.1780 7.1780 7.4312 7.4312 7.9015 7.9015 8.3757 8.3757 k =-0.3750-0.0249 0.2050 ( 6816 PWs) bands (ev): -20.4964 -20.4964 -20.2084 -20.2084 -19.8297 -19.8297 -19.5745 -19.5745 -14.6669 -14.6669 -12.2317 -12.2317 -11.9210 -11.9210 -8.9768 -8.9768 -8.5793 -8.5793 -8.0580 -8.0580 -7.8440 -7.8440 -7.5534 -7.5534 -7.4179 -7.4179 -6.2387 -6.2387 -5.1225 -5.1225 -4.5877 -4.5877 -3.9731 -3.9731 -3.7955 -3.7955 -3.4442 -3.4442 -3.3802 -3.3802 -3.2309 -3.2309 -2.7734 -2.7734 -2.5559 -2.5559 -2.4569 -2.4569 -1.8983 -1.8983 -1.6797 -1.6797 -1.4064 -1.4064 -1.3358 -1.3358 -0.5139 -0.5139 -0.0896 -0.0896 0.6282 0.6282 4.4788 4.4788 5.8011 5.8011 7.1925 7.1925 7.4929 7.4929 7.8893 7.8893 8.3662 8.3662 k =-0.3889-0.0258 0.2126 ( 6816 PWs) bands (ev): -20.4888 -20.4888 -20.2015 -20.2015 -19.8390 -19.8390 -19.5830 -19.5830 -14.6643 -14.6643 -12.2376 -12.2376 -11.9202 -11.9202 -8.9785 -8.9785 -8.5702 -8.5702 -8.0437 -8.0437 -7.8350 -7.8350 -7.5483 -7.5483 -7.4202 -7.4202 -6.2451 -6.2451 -5.1216 -5.1216 -4.5922 -4.5922 -3.9824 -3.9824 -3.7906 -3.7906 -3.4511 -3.4511 -3.3871 -3.3871 -3.2252 -3.2252 -2.7743 -2.7743 -2.5715 -2.5715 -2.4558 -2.4558 -1.9120 -1.9120 -1.6829 -1.6829 -1.4060 -1.4060 -1.3423 -1.3423 -0.5048 -0.5048 -0.0981 -0.0981 0.6490 0.6490 4.4714 4.4714 5.8281 5.8281 7.2044 7.2044 7.5521 7.5521 7.8809 7.8809 8.3616 8.3616 k =-0.4028-0.0267 0.2202 ( 6809 PWs) bands (ev): -20.4817 -20.4817 -20.1951 -20.1951 -19.8476 -19.8476 -19.5908 -19.5908 -14.6619 -14.6619 -12.2429 -12.2429 -11.9196 -11.9196 -8.9801 -8.9801 -8.5618 -8.5618 -8.0304 -8.0304 -7.8271 -7.8271 -7.5436 -7.5436 -7.4223 -7.4223 -6.2509 -6.2509 -5.1208 -5.1208 -4.5962 -4.5962 -3.9910 -3.9910 -3.7864 -3.7864 -3.4586 -3.4586 -3.3944 -3.3944 -3.2169 -3.2169 -2.7744 -2.7744 -2.5866 -2.5866 -2.4544 -2.4544 -1.9244 -1.9244 -1.6859 -1.6859 -1.4052 -1.4052 -1.3485 -1.3485 -0.4967 -0.4967 -0.1059 -0.1059 0.6677 0.6677 4.4646 4.4646 5.8528 5.8528 7.2144 7.2144 7.6057 7.6057 7.8771 7.8771 8.3633 8.3633 k =-0.4167-0.0277 0.2278 ( 6811 PWs) bands (ev): -20.4754 -20.4754 -20.1893 -20.1893 -19.8553 -19.8553 -19.5979 -19.5979 -14.6598 -14.6598 -12.2476 -12.2476 -11.9190 -11.9190 -8.9815 -8.9815 -8.5545 -8.5545 -8.0183 -8.0183 -7.8205 -7.8205 -7.5394 -7.5394 -7.4241 -7.4241 -6.2560 -6.2560 -5.1201 -5.1201 -4.5999 -4.5999 -3.9989 -3.9989 -3.7829 -3.7829 -3.4662 -3.4662 -3.4015 -3.4015 -3.2071 -3.2071 -2.7740 -2.7740 -2.6010 -2.6010 -2.4529 -2.4529 -1.9354 -1.9354 -1.6888 -1.6888 -1.4040 -1.4040 -1.3546 -1.3546 -0.4897 -0.4897 -0.1127 -0.1127 0.6843 0.6843 4.4585 4.4585 5.8749 5.8749 7.2227 7.2227 7.6508 7.6508 7.8788 7.8788 8.3730 8.3730 k =-0.4306-0.0286 0.2354 ( 6810 PWs) bands (ev): -20.4698 -20.4698 -20.1842 -20.1842 -19.8620 -19.8620 -19.6041 -19.6041 -14.6580 -14.6580 -12.2516 -12.2516 -11.9185 -11.9185 -8.9828 -8.9828 -8.5481 -8.5481 -8.0077 -8.0077 -7.8150 -7.8150 -7.5356 -7.5356 -7.4257 -7.4257 -6.2603 -6.2603 -5.1196 -5.1196 -4.6030 -4.6030 -4.0058 -4.0058 -3.7801 -3.7801 -3.4734 -3.4734 -3.4079 -3.4079 -3.1970 -3.1970 -2.7731 -2.7731 -2.6144 -2.6144 -2.4514 -2.4514 -1.9449 -1.9449 -1.6913 -1.6913 -1.4024 -1.4024 -1.3603 -1.3603 -0.4836 -0.4836 -0.1185 -0.1185 0.6985 0.6985 4.4532 4.4532 5.8941 5.8941 7.2295 7.2295 7.6847 7.6847 7.8865 7.8865 8.3922 8.3922 k =-0.4444-0.0295 0.2430 ( 6804 PWs) bands (ev): -20.4650 -20.4650 -20.1799 -20.1799 -19.8677 -19.8677 -19.6093 -19.6093 -14.6565 -14.6565 -12.2550 -12.2550 -11.9180 -11.9180 -8.9840 -8.9840 -8.5428 -8.5428 -7.9986 -7.9986 -7.8106 -7.8106 -7.5324 -7.5324 -7.4271 -7.4271 -6.2639 -6.2639 -5.1192 -5.1192 -4.6055 -4.6055 -4.0117 -4.0117 -3.7778 -3.7778 -3.4798 -3.4798 -3.4132 -3.4132 -3.1874 -3.1874 -2.7719 -2.7719 -2.6263 -2.6263 -2.4500 -2.4500 -1.9527 -1.9527 -1.6935 -1.6935 -1.4005 -1.4005 -1.3657 -1.3657 -0.4787 -0.4787 -0.1233 -0.1233 0.7103 0.7103 4.4488 4.4488 5.9102 5.9102 7.2351 7.2351 7.7073 7.7073 7.8986 7.8986 8.4224 8.4224 k =-0.4583-0.0304 0.2506 ( 6810 PWs) bands (ev): -20.4612 -20.4612 -20.1764 -20.1764 -19.8722 -19.8722 -19.6134 -19.6134 -14.6553 -14.6553 -12.2576 -12.2576 -11.9177 -11.9177 -8.9849 -8.9849 -8.5387 -8.5387 -7.9913 -7.9913 -7.8074 -7.8074 -7.5298 -7.5298 -7.4282 -7.4282 -6.2667 -6.2667 -5.1190 -5.1190 -4.6076 -4.6076 -4.0164 -4.0164 -3.7761 -3.7761 -3.4852 -3.4852 -3.4175 -3.4175 -3.1792 -3.1792 -2.7707 -2.7707 -2.6363 -2.6363 -2.4488 -2.4488 -1.9589 -1.9589 -1.6953 -1.6953 -1.3983 -1.3983 -1.3706 -1.3706 -0.4748 -0.4748 -0.1271 -0.1271 0.7196 0.7196 4.4454 4.4454 5.9230 5.9230 7.2393 7.2393 7.7207 7.7207 7.9119 7.9119 8.4640 8.4640 k =-0.4722-0.0313 0.2582 ( 6812 PWs) bands (ev): -20.4585 -20.4585 -20.1740 -20.1740 -19.8755 -19.8755 -19.6164 -19.6164 -14.6545 -14.6545 -12.2595 -12.2595 -11.9174 -11.9174 -8.9855 -8.9855 -8.5357 -8.5357 -7.9860 -7.9860 -7.8051 -7.8051 -7.5279 -7.5279 -7.4289 -7.4289 -6.2687 -6.2687 -5.1188 -5.1188 -4.6090 -4.6090 -4.0198 -4.0198 -3.7750 -3.7750 -3.4892 -3.4892 -3.4206 -3.4206 -3.1728 -3.1728 -2.7696 -2.7696 -2.6439 -2.6439 -2.4479 -2.4479 -1.9634 -1.9634 -1.6966 -1.6966 -1.3960 -1.3960 -1.3749 -1.3749 -0.4721 -0.4721 -0.1298 -0.1298 0.7263 0.7263 4.4428 4.4428 5.9323 5.9323 7.2423 7.2423 7.7279 7.7279 7.9230 7.9230 8.5161 8.5161 k =-0.4861-0.0323 0.2658 ( 6810 PWs) bands (ev): -20.4568 -20.4568 -20.1724 -20.1724 -19.8775 -19.8775 -19.6182 -19.6182 -14.6540 -14.6540 -12.2607 -12.2607 -11.9173 -11.9173 -8.9859 -8.9859 -8.5339 -8.5339 -7.9827 -7.9827 -7.8038 -7.8038 -7.5267 -7.5267 -7.4294 -7.4294 -6.2699 -6.2699 -5.1187 -5.1187 -4.6099 -4.6099 -4.0219 -4.0219 -3.7743 -3.7743 -3.4916 -3.4916 -3.4224 -3.4224 -3.1688 -3.1688 -2.7688 -2.7688 -2.6487 -2.6487 -2.4473 -2.4473 -1.9661 -1.9661 -1.6974 -1.6974 -1.3940 -1.3940 -1.3782 -1.3782 -0.4704 -0.4704 -0.1315 -0.1315 0.7304 0.7304 4.4413 4.4413 5.9379 5.9379 7.2441 7.2441 7.7314 7.7314 7.9302 7.9302 8.5762 8.5762 k =-0.5000-0.0332 0.2734 ( 6808 PWs) bands (ev): -20.4562 -20.4562 -20.1719 -20.1719 -19.8782 -19.8782 -19.6188 -19.6188 -14.6538 -14.6538 -12.2611 -12.2611 -11.9172 -11.9172 -8.9861 -8.9861 -8.5333 -8.5333 -7.9816 -7.9816 -7.8033 -7.8033 -7.5263 -7.5263 -7.4296 -7.4296 -6.2703 -6.2703 -5.1186 -5.1186 -4.6102 -4.6102 -4.0226 -4.0226 -3.7740 -3.7740 -3.4925 -3.4925 -3.4230 -3.4230 -3.1674 -3.1674 -2.7685 -2.7685 -2.6504 -2.6504 -2.4471 -2.4471 -1.9670 -1.9670 -1.6976 -1.6976 -1.3930 -1.3930 -1.3795 -1.3795 -0.4698 -0.4698 -0.1320 -0.1320 0.7317 0.7317 4.4408 4.4408 5.9398 5.9398 7.2447 7.2447 7.7324 7.7324 7.9327 7.9327 8.6228 8.6228 k =-0.5000-0.5044 0.1458 ( 6854 PWs) bands (ev): -20.4404 -20.4404 -20.1867 -20.1867 -19.8593 -19.8593 -19.6371 -19.6371 -14.6391 -14.6391 -12.2462 -12.2462 -11.9456 -11.9456 -9.0111 -9.0111 -8.6916 -8.6916 -8.0344 -8.0344 -7.7615 -7.7615 -7.5961 -7.5961 -7.3691 -7.3691 -6.0296 -6.0296 -4.9821 -4.9821 -4.5118 -4.5118 -4.1960 -4.1960 -3.7806 -3.7806 -3.7604 -3.7604 -3.5756 -3.5756 -3.2180 -3.2180 -2.9627 -2.9627 -2.4917 -2.4917 -2.2698 -2.2698 -1.7729 -1.7729 -1.6576 -1.6576 -1.4541 -1.4541 -1.1544 -1.1544 -0.7764 -0.7764 0.2450 0.2450 0.8182 0.8182 4.5040 4.5040 5.8256 5.8256 6.9431 6.9431 8.1159 8.1159 8.1379 8.1379 8.5747 8.5747 k =-0.4891-0.4935 0.1426 ( 6849 PWs) bands (ev): -20.4408 -20.4408 -20.1870 -20.1870 -19.8589 -19.8589 -19.6366 -19.6366 -14.6392 -14.6392 -12.2460 -12.2460 -11.9457 -11.9457 -9.0108 -9.0108 -8.6912 -8.6912 -8.0346 -8.0346 -7.7622 -7.7622 -7.5960 -7.5960 -7.3690 -7.3690 -6.0310 -6.0310 -4.9825 -4.9825 -4.5123 -4.5123 -4.1948 -4.1948 -3.7811 -3.7811 -3.7607 -3.7607 -3.5732 -3.5732 -3.2177 -3.2177 -2.9624 -2.9624 -2.4918 -2.4918 -2.2694 -2.2694 -1.7725 -1.7725 -1.6568 -1.6568 -1.4565 -1.4565 -1.1555 -1.1555 -0.7739 -0.7739 0.2448 0.2448 0.8173 0.8173 4.5043 4.5043 5.8246 5.8246 6.9430 6.9430 8.1171 8.1171 8.1387 8.1387 8.5678 8.5678 k =-0.4783-0.4825 0.1394 ( 6848 PWs) bands (ev): -20.4417 -20.4417 -20.1880 -20.1880 -19.8579 -19.8579 -19.6353 -19.6353 -14.6394 -14.6394 -12.2456 -12.2456 -11.9462 -11.9462 -9.0100 -9.0100 -8.6900 -8.6900 -8.0355 -8.0355 -7.7645 -7.7645 -7.5956 -7.5956 -7.3687 -7.3687 -6.0350 -6.0350 -4.9835 -4.9835 -4.5139 -4.5139 -4.1915 -4.1915 -3.7833 -3.7833 -3.7608 -3.7608 -3.5663 -3.5663 -3.2168 -3.2168 -2.9614 -2.9614 -2.4920 -2.4920 -2.2683 -2.2683 -1.7712 -1.7712 -1.6545 -1.6545 -1.4640 -1.4640 -1.1588 -1.1588 -0.7669 -0.7669 0.2441 0.2441 0.8143 0.8143 4.5053 4.5053 5.8215 5.8215 6.9426 6.9426 8.1204 8.1204 8.1411 8.1411 8.5482 8.5482 k =-0.4674-0.4715 0.1363 ( 6847 PWs) bands (ev): -20.4434 -20.4434 -20.1896 -20.1896 -19.8562 -19.8562 -19.6332 -19.6332 -14.6399 -14.6399 -12.2449 -12.2449 -11.9469 -11.9469 -9.0087 -9.0087 -8.6880 -8.6880 -8.0371 -8.0371 -7.7683 -7.7683 -7.5949 -7.5949 -7.3683 -7.3683 -6.0415 -6.0415 -4.9854 -4.9854 -4.5165 -4.5165 -4.1860 -4.1860 -3.7885 -3.7885 -3.7589 -3.7589 -3.5551 -3.5551 -3.2152 -3.2152 -2.9597 -2.9597 -2.4924 -2.4924 -2.2664 -2.2664 -1.7691 -1.7691 -1.6506 -1.6506 -1.4762 -1.4762 -1.1638 -1.1638 -0.7558 -0.7558 0.2430 0.2430 0.8094 0.8094 4.5068 4.5068 5.8165 5.8165 6.9420 6.9420 8.1256 8.1256 8.1446 8.1446 8.5194 8.5194 k =-0.4565-0.4606 0.1331 ( 6847 PWs) bands (ev): -20.4457 -20.4457 -20.1918 -20.1918 -19.8538 -19.8538 -19.6302 -19.6302 -14.6405 -14.6405 -12.2438 -12.2438 -11.9479 -11.9479 -9.0069 -9.0069 -8.6853 -8.6853 -8.0392 -8.0392 -7.7736 -7.7736 -7.5940 -7.5940 -7.3677 -7.3677 -6.0503 -6.0503 -4.9880 -4.9880 -4.5200 -4.5200 -4.1783 -4.1783 -3.7968 -3.7968 -3.7545 -3.7545 -3.5402 -3.5402 -3.2132 -3.2132 -2.9573 -2.9573 -2.4929 -2.4929 -2.2639 -2.2639 -1.7662 -1.7662 -1.6453 -1.6453 -1.4931 -1.4931 -1.1697 -1.1697 -0.7414 -0.7414 0.2414 0.2414 0.8026 0.8026 4.5090 4.5090 5.8094 5.8094 6.9411 6.9411 8.1312 8.1312 8.1495 8.1495 8.4858 8.4858 k =-0.4457-0.4496 0.1299 ( 6845 PWs) bands (ev): -20.4486 -20.4486 -20.1946 -20.1946 -19.8507 -19.8507 -19.6264 -19.6264 -14.6413 -14.6413 -12.2424 -12.2424 -11.9491 -11.9491 -9.0046 -9.0046 -8.6819 -8.6819 -8.0420 -8.0420 -7.7802 -7.7802 -7.5928 -7.5928 -7.3671 -7.3671 -6.0611 -6.0611 -4.9917 -4.9917 -4.5244 -4.5244 -4.1686 -4.1686 -3.8074 -3.8074 -3.7480 -3.7480 -3.5220 -3.5220 -3.2106 -3.2106 -2.9543 -2.9543 -2.4933 -2.4933 -2.2609 -2.2609 -1.7625 -1.7625 -1.6387 -1.6387 -1.5143 -1.5143 -1.1760 -1.1760 -0.7246 -0.7246 0.2394 0.2394 0.7938 0.7938 4.5119 4.5119 5.8004 5.8004 6.9399 6.9399 8.1334 8.1334 8.1570 8.1570 8.4518 8.4518 k =-0.4348-0.4386 0.1268 ( 6843 PWs) bands (ev): -20.4520 -20.4520 -20.1980 -20.1980 -19.8470 -19.8470 -19.6219 -19.6219 -14.6423 -14.6423 -12.2408 -12.2408 -11.9506 -11.9506 -9.0018 -9.0018 -8.6778 -8.6778 -8.0454 -8.0454 -7.7882 -7.7882 -7.5913 -7.5913 -7.3665 -7.3665 -6.0735 -6.0735 -4.9963 -4.9963 -4.5294 -4.5294 -4.1569 -4.1569 -3.8196 -3.8196 -3.7398 -3.7398 -3.5009 -3.5009 -3.2077 -3.2077 -2.9506 -2.9506 -2.4936 -2.4936 -2.2574 -2.2574 -1.7580 -1.7580 -1.6312 -1.6312 -1.5392 -1.5392 -1.1821 -1.1821 -0.7062 -0.7062 0.2371 0.2371 0.7833 0.7833 4.5153 4.5153 5.7895 5.7895 6.9385 6.9385 8.1276 8.1276 8.1685 8.1685 8.4224 8.4224 k =-0.4239-0.4277 0.1236 ( 6847 PWs) bands (ev): -20.4561 -20.4561 -20.2018 -20.2018 -19.8428 -19.8428 -19.6167 -19.6167 -14.6434 -14.6434 -12.2388 -12.2388 -11.9523 -11.9523 -8.9987 -8.9987 -8.6733 -8.6733 -8.0496 -8.0496 -7.7973 -7.7973 -7.5896 -7.5896 -7.3661 -7.3661 -6.0872 -6.0872 -5.0021 -5.0021 -4.5351 -4.5351 -4.1435 -4.1435 -3.8328 -3.8328 -3.7300 -3.7300 -3.4774 -3.4774 -3.2044 -3.2044 -2.9462 -2.9462 -2.4937 -2.4937 -2.2537 -2.2537 -1.7530 -1.7530 -1.6234 -1.6234 -1.5669 -1.5669 -1.1879 -1.1879 -0.6867 -0.6867 0.2344 0.2344 0.7709 0.7709 4.5193 4.5193 5.7768 5.7768 6.9369 6.9369 8.1105 8.1105 8.1834 8.1834 8.4024 8.4024 k =-0.4130-0.4167 0.1204 ( 6851 PWs) bands (ev): -20.4606 -20.4606 -20.2061 -20.2061 -19.8380 -19.8380 -19.6109 -19.6109 -14.6448 -14.6448 -12.2366 -12.2366 -11.9541 -11.9541 -8.9951 -8.9951 -8.6682 -8.6682 -8.0544 -8.0544 -7.8075 -7.8075 -7.5877 -7.5877 -7.3659 -7.3659 -6.1018 -6.1018 -5.0090 -5.0090 -4.5412 -4.5412 -4.1284 -4.1284 -3.8466 -3.8466 -3.7191 -3.7191 -3.4517 -3.4517 -3.2008 -3.2008 -2.9411 -2.9411 -2.4934 -2.4934 -2.2497 -2.2497 -1.7473 -1.7473 -1.6194 -1.6194 -1.5927 -1.5927 -1.1931 -1.1931 -0.6669 -0.6669 0.2314 0.2314 0.7569 0.7569 4.5239 4.5239 5.7624 5.7624 6.9350 6.9350 8.0806 8.0806 8.2009 8.2009 8.3946 8.3946 k =-0.4022-0.4057 0.1173 ( 6848 PWs) bands (ev): -20.4656 -20.4656 -20.2108 -20.2108 -19.8326 -19.8326 -19.6045 -19.6045 -14.6463 -14.6463 -12.2340 -12.2340 -11.9561 -11.9561 -8.9913 -8.9913 -8.6628 -8.6628 -8.0599 -8.0599 -7.8186 -7.8186 -7.5856 -7.5856 -7.3660 -7.3660 -6.1169 -6.1169 -5.0171 -5.0171 -4.5475 -4.5475 -4.1120 -4.1120 -3.8606 -3.8606 -3.7071 -3.7071 -3.4243 -3.4243 -3.1969 -3.1969 -2.9353 -2.9353 -2.4928 -2.4928 -2.2457 -2.2457 -1.7412 -1.7412 -1.6395 -1.6395 -1.5960 -1.5960 -1.1978 -1.1978 -0.6472 -0.6472 0.2281 0.2281 0.7412 0.7412 4.5290 4.5290 5.7463 5.7463 6.9330 6.9330 8.0390 8.0390 8.2203 8.2203 8.3987 8.3987 k =-0.3913-0.3948 0.1141 ( 6846 PWs) bands (ev): -20.4711 -20.4711 -20.2159 -20.2159 -19.8268 -19.8268 -19.5976 -19.5976 -14.6480 -14.6480 -12.2311 -12.2311 -11.9581 -11.9581 -8.9871 -8.9871 -8.6571 -8.6571 -8.0663 -8.0663 -7.8304 -7.8304 -7.5833 -7.5833 -7.3666 -7.3666 -6.1320 -6.1320 -5.0263 -5.0263 -4.5541 -4.5541 -4.0942 -4.0942 -3.8744 -3.8744 -3.6943 -3.6943 -3.3956 -3.3956 -3.1926 -3.1926 -2.9288 -2.9288 -2.4918 -2.4918 -2.2418 -2.2418 -1.7348 -1.7348 -1.6728 -1.6728 -1.5870 -1.5870 -1.2020 -1.2020 -0.6279 -0.6279 0.2247 0.2247 0.7239 0.7239 4.5347 4.5347 5.7286 5.7286 6.9308 6.9308 7.9886 7.9886 8.2413 8.2413 8.4121 8.4121 k =-0.3804-0.3838 0.1109 ( 6843 PWs) bands (ev): -20.4770 -20.4770 -20.2212 -20.2212 -19.8206 -19.8206 -19.5902 -19.5902 -14.6498 -14.6498 -12.2279 -12.2279 -11.9602 -11.9602 -8.9827 -8.9827 -8.6513 -8.6513 -8.0734 -8.0734 -7.8428 -7.8428 -7.5807 -7.5807 -7.3678 -7.3678 -6.1469 -6.1469 -5.0365 -5.0365 -4.5606 -4.5606 -4.0755 -4.0755 -3.8878 -3.8878 -3.6809 -3.6809 -3.3662 -3.3662 -3.1877 -3.1877 -2.9216 -2.9216 -2.4902 -2.4902 -2.2380 -2.2380 -1.7295 -1.7295 -1.7072 -1.7072 -1.5762 -1.5762 -1.2058 -1.2058 -0.6094 -0.6094 0.2210 0.2210 0.7052 0.7052 4.5408 4.5408 5.7096 5.7096 6.9285 6.9285 7.9321 7.9321 8.2635 8.2635 8.4323 8.4323 k =-0.3696-0.3728 0.1078 ( 6846 PWs) bands (ev): -20.4832 -20.4832 -20.2267 -20.2267 -19.8139 -19.8139 -19.5825 -19.5825 -14.6519 -14.6519 -12.2244 -12.2244 -11.9624 -11.9624 -8.9781 -8.9781 -8.6456 -8.6456 -8.0814 -8.0814 -7.8557 -7.8557 -7.5781 -7.5781 -7.3696 -7.3696 -6.1611 -6.1611 -5.0476 -5.0476 -4.5670 -4.5670 -4.0560 -4.0560 -3.9006 -3.9006 -3.6672 -3.6672 -3.3367 -3.3367 -3.1819 -3.1819 -2.9136 -2.9136 -2.4880 -2.4880 -2.2345 -2.2345 -1.7486 -1.7486 -1.7177 -1.7177 -1.5649 -1.5649 -1.2092 -1.2092 -0.5918 -0.5918 0.2173 0.2173 0.6851 0.6851 4.5474 4.5474 5.6891 5.6891 6.9260 6.9260 7.8715 7.8715 8.2866 8.2866 8.4570 8.4570 k =-0.3587-0.3619 0.1046 ( 6845 PWs) bands (ev): -20.4897 -20.4897 -20.2325 -20.2325 -19.8070 -19.8070 -19.5744 -19.5744 -14.6540 -14.6540 -12.2206 -12.2206 -11.9645 -11.9645 -8.9734 -8.9734 -8.6400 -8.6400 -8.0902 -8.0902 -7.8687 -7.8687 -7.5753 -7.5753 -7.3722 -7.3722 -6.1744 -6.1744 -5.0594 -5.0594 -4.5732 -4.5732 -4.0360 -4.0360 -3.9123 -3.9123 -3.6535 -3.6535 -3.3082 -3.3082 -3.1748 -3.1748 -2.9049 -2.9049 -2.4852 -2.4852 -2.2314 -2.2314 -1.7845 -1.7845 -1.7112 -1.7112 -1.5533 -1.5533 -1.2123 -1.2123 -0.5755 -0.5755 0.2135 0.2135 0.6638 0.6638 4.5544 4.5544 5.6675 5.6675 6.9234 6.9234 7.8083 7.8083 8.3104 8.3104 8.4850 8.4850 k =-0.3478-0.3509 0.1014 ( 6848 PWs) bands (ev): -20.4965 -20.4965 -20.2384 -20.2384 -19.7997 -19.7997 -19.5660 -19.5660 -14.6564 -14.6564 -12.2165 -12.2165 -11.9665 -11.9665 -8.9687 -8.9687 -8.6348 -8.6348 -8.0999 -8.0999 -7.8818 -7.8818 -7.5723 -7.5723 -7.3755 -7.3755 -6.1866 -6.1866 -5.0717 -5.0717 -4.5790 -4.5790 -4.0158 -4.0158 -3.9228 -3.9228 -3.6400 -3.6400 -3.2819 -3.2819 -3.1654 -3.1654 -2.8953 -2.8953 -2.4819 -2.4819 -2.2287 -2.2287 -1.8205 -1.8205 -1.7037 -1.7037 -1.5418 -1.5418 -1.2151 -1.2151 -0.5607 -0.5607 0.2097 0.2097 0.6413 0.6413 4.5617 4.5617 5.6448 5.6448 6.9206 6.9206 7.7434 7.7434 8.3344 8.3344 8.5149 8.5149 k =-0.3370-0.3399 0.0982 ( 6845 PWs) bands (ev): -20.5035 -20.5035 -20.2444 -20.2444 -19.7921 -19.7921 -19.5575 -19.5575 -14.6589 -14.6589 -12.2121 -12.2121 -11.9684 -11.9684 -8.9639 -8.9639 -8.6300 -8.6300 -8.1105 -8.1105 -7.8947 -7.8947 -7.5693 -7.5693 -7.3796 -7.3796 -6.1975 -6.1975 -5.0843 -5.0843 -4.5844 -4.5844 -3.9963 -3.9963 -3.9312 -3.9312 -3.6271 -3.6271 -3.2595 -3.2595 -3.1527 -3.1527 -2.8848 -2.8848 -2.4779 -2.4779 -2.2266 -2.2266 -1.8552 -1.8552 -1.6960 -1.6960 -1.5304 -1.5304 -1.2178 -1.2178 -0.5473 -0.5473 0.2059 0.2059 0.6177 0.6177 4.5694 4.5694 5.6212 5.6212 6.9177 6.9177 7.6775 7.6775 8.3585 8.3585 8.5460 8.5460 k =-0.3261-0.3290 0.0951 ( 6844 PWs) bands (ev): -20.5107 -20.5107 -20.2505 -20.2505 -19.7844 -19.7844 -19.5487 -19.5487 -14.6615 -14.6615 -12.2074 -12.2074 -11.9702 -11.9702 -8.9593 -8.9593 -8.6259 -8.6259 -8.1219 -8.1219 -7.9073 -7.9073 -7.5663 -7.5663 -7.3845 -7.3845 -6.2069 -6.2069 -5.0969 -5.0969 -4.5892 -4.5892 -3.9793 -3.9793 -3.9356 -3.9356 -3.6149 -3.6149 -3.2420 -3.2420 -3.1360 -3.1360 -2.8735 -2.8735 -2.4732 -2.4732 -2.2252 -2.2252 -1.8879 -1.8879 -1.6883 -1.6883 -1.5192 -1.5192 -1.2204 -1.2204 -0.5357 -0.5357 0.2022 0.2022 0.5933 0.5933 4.5773 4.5773 5.5969 5.5969 6.9145 6.9145 7.6111 7.6111 8.3822 8.3822 8.5774 8.5774 k =-0.3152-0.3180 0.0919 ( 6845 PWs) bands (ev): -20.5180 -20.5180 -20.2566 -20.2566 -19.7764 -19.7764 -19.5399 -19.5399 -14.6643 -14.6643 -12.2025 -12.2025 -11.9718 -11.9718 -8.9547 -8.9547 -8.6227 -8.6227 -8.1341 -8.1341 -7.9195 -7.9195 -7.5633 -7.5633 -7.3902 -7.3902 -6.2147 -6.2147 -5.1093 -5.1093 -4.5933 -4.5933 -3.9698 -3.9698 -3.9313 -3.9313 -3.6038 -3.6038 -3.2297 -3.2297 -3.1157 -3.1157 -2.8612 -2.8612 -2.4678 -2.4678 -2.2244 -2.2244 -1.9179 -1.9179 -1.6807 -1.6807 -1.5083 -1.5083 -1.2229 -1.2229 -0.5259 -0.5259 0.1987 0.1987 0.5680 0.5680 4.5853 4.5853 5.5720 5.5720 6.9111 6.9111 7.5448 7.5448 8.4052 8.4052 8.6084 8.6084 k =-0.3043-0.3070 0.0887 ( 6836 PWs) bands (ev): -20.5255 -20.5255 -20.2627 -20.2627 -19.7683 -19.7683 -19.5310 -19.5310 -14.6673 -14.6673 -12.1973 -12.1973 -11.9732 -11.9732 -8.9504 -8.9504 -8.6204 -8.6204 -8.1469 -8.1469 -7.9311 -7.9311 -7.5603 -7.5603 -7.3964 -7.3964 -6.2210 -6.2210 -5.1212 -5.1212 -4.5966 -4.5966 -3.9691 -3.9691 -3.9170 -3.9170 -3.5940 -3.5940 -3.2216 -3.2216 -3.0936 -3.0936 -2.8480 -2.8480 -2.4616 -2.4616 -2.2243 -2.2243 -1.9444 -1.9444 -1.6734 -1.6734 -1.4978 -1.4978 -1.2255 -1.2255 -0.5180 -0.5180 0.1954 0.1954 0.5419 0.5419 4.5934 4.5934 5.5467 5.5467 6.9072 6.9072 7.4790 7.4790 8.4273 8.4273 8.6386 8.6386 k =-0.2935-0.2961 0.0856 ( 6835 PWs) bands (ev): -20.5330 -20.5330 -20.2687 -20.2687 -19.7601 -19.7601 -19.5220 -19.5220 -14.6703 -14.6703 -12.1919 -12.1919 -11.9743 -11.9743 -8.9463 -8.9463 -8.6192 -8.6192 -8.1603 -8.1603 -7.9422 -7.9422 -7.5576 -7.5576 -7.4029 -7.4029 -6.2257 -6.2257 -5.1326 -5.1326 -4.5992 -4.5992 -3.9716 -3.9716 -3.8986 -3.8986 -3.5856 -3.5856 -3.2166 -3.2166 -3.0713 -3.0713 -2.8340 -2.8340 -2.4546 -2.4546 -2.2250 -2.2250 -1.9669 -1.9669 -1.6664 -1.6664 -1.4876 -1.4876 -1.2281 -1.2281 -0.5120 -0.5120 0.1924 0.1924 0.5154 0.5154 4.6014 4.6014 5.5211 5.5211 6.9026 6.9026 7.4142 7.4142 8.4480 8.4480 8.6676 8.6676 k =-0.2826-0.2851 0.0824 ( 6830 PWs) bands (ev): -20.5405 -20.5405 -20.2747 -20.2747 -19.7519 -19.7519 -19.5131 -19.5131 -14.6735 -14.6735 -12.1863 -12.1863 -11.9751 -11.9751 -8.9426 -8.9426 -8.6193 -8.6193 -8.1740 -8.1740 -7.9528 -7.9528 -7.5552 -7.5552 -7.4096 -7.4096 -6.2288 -6.2288 -5.1431 -5.1431 -4.6008 -4.6008 -3.9741 -3.9741 -3.8793 -3.8793 -3.5788 -3.5788 -3.2137 -3.2137 -3.0502 -3.0502 -2.8191 -2.8191 -2.4465 -2.4465 -2.2264 -2.2264 -1.9848 -1.9848 -1.6598 -1.6598 -1.4778 -1.4778 -1.2308 -1.2308 -0.5081 -0.5081 0.1896 0.1896 0.4883 0.4883 4.6094 4.6094 5.4954 5.4954 6.8970 6.8970 7.3511 7.3511 8.4671 8.4671 8.6952 8.6952 k =-0.2717-0.2741 0.0792 ( 6824 PWs) bands (ev): -20.5481 -20.5481 -20.2806 -20.2806 -19.7436 -19.7436 -19.5043 -19.5043 -14.6767 -14.6767 -12.1805 -12.1805 -11.9756 -11.9756 -8.9393 -8.9393 -8.6207 -8.6207 -8.1880 -8.1880 -7.9629 -7.9629 -7.5534 -7.5534 -7.4160 -7.4160 -6.2305 -6.2305 -5.1526 -5.1526 -4.6015 -4.6015 -3.9758 -3.9758 -3.8603 -3.8603 -3.5735 -3.5735 -3.2128 -3.2128 -3.0313 -3.0313 -2.8035 -2.8035 -2.4373 -2.4373 -2.2284 -2.2284 -1.9977 -1.9977 -1.6537 -1.6537 -1.4684 -1.4684 -1.2336 -1.2336 -0.5062 -0.5062 0.1870 0.1870 0.4610 0.4610 4.6172 4.6172 5.4699 5.4699 6.8900 6.8900 7.2903 7.2903 8.4842 8.4842 8.7215 8.7215 k =-0.2609-0.2632 0.0761 ( 6829 PWs) bands (ev): -20.5556 -20.5556 -20.2864 -20.2864 -19.7354 -19.7354 -19.4955 -19.4955 -14.6800 -14.6800 -12.1746 -12.1746 -11.9758 -11.9758 -8.9366 -8.9366 -8.6234 -8.6234 -8.2021 -8.2021 -7.9726 -7.9726 -7.5524 -7.5524 -7.4217 -7.4217 -6.2308 -6.2308 -5.1611 -5.1611 -4.6013 -4.6013 -3.9763 -3.9763 -3.8424 -3.8424 -3.5696 -3.5696 -3.2135 -3.2135 -3.0151 -3.0151 -2.7872 -2.7872 -2.4269 -2.4269 -2.2309 -2.2309 -2.0052 -2.0052 -1.6482 -1.6482 -1.4593 -1.4593 -1.2366 -1.2366 -0.5064 -0.5064 0.1848 0.1848 0.4335 0.4335 4.6247 4.6247 5.4447 5.4447 6.8807 6.8807 7.2328 7.2328 8.4990 8.4990 8.7466 8.7466 k =-0.2500-0.2522 0.0729 ( 6820 PWs) bands (ev): -20.5630 -20.5630 -20.2920 -20.2920 -19.7272 -19.7272 -19.4869 -19.4869 -14.6834 -14.6834 -12.1686 -12.1686 -11.9756 -11.9756 -8.9343 -8.9343 -8.6275 -8.6275 -8.2159 -8.2159 -7.9819 -7.9819 -7.5525 -7.5525 -7.4263 -7.4263 -6.2298 -6.2298 -5.1683 -5.1683 -4.6000 -4.6000 -3.9756 -3.9756 -3.8261 -3.8261 -3.5669 -3.5669 -3.2159 -3.2159 -3.0019 -3.0019 -2.7702 -2.7702 -2.4154 -2.4154 -2.2337 -2.2337 -2.0074 -2.0074 -1.6433 -1.6433 -1.4505 -1.4505 -1.2398 -1.2398 -0.5086 -0.5086 0.1828 0.1828 0.4059 0.4059 4.6317 4.6317 5.4200 5.4200 6.8681 6.8681 7.1798 7.1798 8.5114 8.5114 8.7709 8.7709 k =-0.2391-0.2413 0.0697 ( 6811 PWs) bands (ev): -20.5703 -20.5703 -20.2975 -20.2975 -19.7191 -19.7191 -19.4784 -19.4784 -14.6869 -14.6869 -12.1624 -12.1624 -11.9750 -11.9750 -8.9327 -8.9327 -8.6329 -8.6329 -8.2295 -8.2295 -7.9911 -7.9911 -7.5540 -7.5540 -7.4294 -7.4294 -6.2275 -6.2275 -5.1743 -5.1743 -4.5978 -4.5978 -3.9735 -3.9735 -3.8119 -3.8119 -3.5649 -3.5649 -3.2201 -3.2201 -2.9916 -2.9916 -2.7527 -2.7527 -2.4028 -2.4028 -2.2367 -2.2367 -2.0043 -2.0043 -1.6392 -1.6392 -1.4420 -1.4420 -1.2431 -1.2431 -0.5129 -0.5129 0.1811 0.1811 0.3785 0.3785 4.6383 4.6383 5.3959 5.3959 6.8509 6.8509 7.1329 7.1329 8.5213 8.5213 8.7947 8.7947 k =-0.2283-0.2303 0.0666 ( 6825 PWs) bands (ev): -20.5776 -20.5776 -20.3028 -20.3028 -19.7111 -19.7111 -19.4702 -19.4702 -14.6904 -14.6904 -12.1563 -12.1563 -11.9741 -11.9741 -8.9318 -8.9318 -8.6395 -8.6395 -8.2426 -8.2426 -8.0001 -8.0001 -7.5572 -7.5572 -7.4306 -7.4306 -6.2241 -6.2241 -5.1792 -5.1792 -4.5946 -4.5946 -3.9700 -3.9700 -3.8007 -3.8007 -3.5632 -3.5632 -3.2261 -3.2261 -2.9837 -2.9837 -2.7346 -2.7346 -2.3895 -2.3895 -2.2397 -2.2397 -1.9962 -1.9962 -1.6359 -1.6359 -1.4338 -1.4338 -1.2467 -1.2467 -0.5192 -0.5192 0.1795 0.1795 0.3513 0.3513 4.6443 4.6443 5.3726 5.3726 6.8276 6.8276 7.0937 7.0937 8.5285 8.5285 8.8182 8.8182 k =-0.2174-0.2193 0.0634 ( 6832 PWs) bands (ev): -20.5846 -20.5846 -20.3080 -20.3080 -19.7032 -19.7032 -19.4622 -19.4622 -14.6939 -14.6939 -12.1502 -12.1502 -11.9728 -11.9728 -8.9316 -8.9316 -8.6471 -8.6471 -8.2553 -8.2553 -8.0091 -8.0091 -7.5620 -7.5620 -7.4297 -7.4297 -6.2197 -6.2197 -5.1828 -5.1828 -4.5904 -4.5904 -3.9652 -3.9652 -3.7930 -3.7930 -3.5611 -3.5611 -3.2339 -3.2339 -2.9780 -2.9780 -2.7161 -2.7161 -2.3759 -2.3759 -2.2425 -2.2425 -1.9832 -1.9832 -1.6333 -1.6333 -1.4258 -1.4258 -1.2504 -1.2504 -0.5274 -0.5274 0.1781 0.1781 0.3247 0.3247 4.6496 4.6496 5.3503 5.3503 6.7976 6.7976 7.0630 7.0630 8.5331 8.5331 8.8418 8.8418 k =-0.2065-0.2084 0.0602 ( 6836 PWs) bands (ev): -20.5915 -20.5915 -20.3129 -20.3129 -19.6955 -19.6955 -19.4544 -19.4544 -14.6974 -14.6974 -12.1441 -12.1441 -11.9711 -11.9711 -8.9323 -8.9323 -8.6556 -8.6556 -8.2673 -8.2673 -8.0181 -8.0181 -7.5683 -7.5683 -7.4269 -7.4269 -6.2143 -6.2143 -5.1854 -5.1854 -4.5854 -4.5854 -3.9591 -3.9591 -3.7895 -3.7895 -3.5581 -3.5581 -3.2433 -3.2433 -2.9737 -2.9737 -2.6972 -2.6972 -2.3622 -2.3622 -2.2452 -2.2452 -1.9659 -1.9659 -1.6317 -1.6317 -1.4180 -1.4180 -1.2543 -1.2543 -0.5376 -0.5376 0.1764 0.1764 0.2989 0.2989 4.6541 4.6541 5.3291 5.3291 6.7612 6.7612 7.0406 7.0406 8.5354 8.5354 8.8656 8.8656 k =-0.1957-0.1974 0.0570 ( 6834 PWs) bands (ev): -20.5981 -20.5981 -20.3177 -20.3177 -19.6881 -19.6881 -19.4469 -19.4469 -14.7009 -14.7009 -12.1382 -12.1382 -11.9690 -11.9690 -8.9337 -8.9337 -8.6647 -8.6647 -8.2786 -8.2786 -8.0272 -8.0272 -7.5757 -7.5757 -7.4222 -7.4222 -6.2080 -6.2080 -5.1869 -5.1869 -4.5795 -4.5795 -3.9517 -3.9517 -3.7903 -3.7903 -3.5539 -3.5539 -3.2542 -3.2542 -2.9705 -2.9705 -2.6781 -2.6781 -2.3488 -2.3488 -2.2476 -2.2476 -1.9447 -1.9447 -1.6309 -1.6309 -1.4104 -1.4104 -1.2582 -1.2582 -0.5495 -0.5495 0.1743 0.1743 0.2743 0.2743 4.6579 4.6579 5.3091 5.3091 6.7202 6.7202 7.0251 7.0251 8.5354 8.5354 8.8897 8.8897 k =-0.1848-0.1864 0.0539 ( 6833 PWs) bands (ev): -20.6046 -20.6046 -20.3222 -20.3222 -19.6808 -19.6808 -19.4397 -19.4397 -14.7043 -14.7043 -12.1323 -12.1323 -11.9666 -11.9666 -8.9360 -8.9360 -8.6743 -8.6743 -8.2893 -8.2893 -8.0364 -8.0364 -7.5841 -7.5841 -7.4161 -7.4161 -6.2008 -6.2008 -5.1876 -5.1876 -4.5729 -4.5729 -3.9431 -3.9431 -3.7955 -3.7955 -3.5486 -3.5486 -3.2660 -3.2660 -2.9681 -2.9681 -2.6588 -2.6588 -2.3360 -2.3360 -2.2498 -2.2498 -1.9201 -1.9201 -1.6309 -1.6309 -1.4030 -1.4030 -1.2622 -1.2622 -0.5632 -0.5632 0.1710 0.1710 0.2519 0.2519 4.6607 4.6607 5.2904 5.2904 6.6763 6.6763 7.0147 7.0147 8.5335 8.5335 8.9140 8.9140 k =-0.1739-0.1755 0.0507 ( 6836 PWs) bands (ev): -20.6107 -20.6107 -20.3265 -20.3265 -19.6739 -19.6739 -19.4328 -19.4328 -14.7077 -14.7077 -12.1267 -12.1267 -11.9638 -11.9638 -8.9392 -8.9392 -8.6841 -8.6841 -8.2993 -8.2993 -8.0457 -8.0457 -7.5930 -7.5930 -7.4089 -7.4089 -6.1928 -6.1928 -5.1877 -5.1877 -4.5657 -4.5657 -3.9335 -3.9335 -3.8045 -3.8045 -3.5425 -3.5425 -3.2782 -3.2782 -2.9663 -2.9663 -2.6397 -2.6397 -2.3239 -2.3239 -2.2516 -2.2516 -1.8929 -1.8929 -1.6319 -1.6319 -1.3958 -1.3958 -1.2659 -1.2659 -0.5785 -0.5785 0.1652 0.1652 0.2328 0.2328 4.6628 4.6628 5.2731 5.2731 6.6312 6.6312 7.0080 7.0080 8.5298 8.5298 8.9385 8.9385 k =-0.1630-0.1645 0.0475 ( 6839 PWs) bands (ev): -20.6166 -20.6166 -20.3305 -20.3305 -19.6672 -19.6672 -19.4263 -19.4263 -14.7110 -14.7110 -12.1212 -12.1212 -11.9608 -11.9608 -8.9432 -8.9432 -8.6938 -8.6938 -8.3086 -8.3086 -8.0550 -8.0550 -7.6021 -7.6021 -7.4007 -7.4007 -6.1841 -6.1841 -5.1872 -5.1872 -4.5580 -4.5580 -3.9231 -3.9231 -3.8166 -3.8166 -3.5364 -3.5364 -3.2901 -3.2901 -2.9649 -2.9649 -2.6207 -2.6207 -2.3127 -2.3127 -2.2529 -2.2529 -1.8636 -1.8636 -1.6336 -1.6336 -1.3889 -1.3889 -1.2694 -1.2694 -0.5952 -0.5952 0.1555 0.1555 0.2188 0.2188 4.6639 4.6639 5.2572 5.2572 6.5860 6.5860 7.0039 7.0039 8.5247 8.5247 8.9632 8.9632 k =-0.1522-0.1535 0.0444 ( 6836 PWs) bands (ev): -20.6222 -20.6222 -20.3343 -20.3343 -19.6608 -19.6608 -19.4201 -19.4201 -14.7142 -14.7142 -12.1161 -12.1161 -11.9575 -11.9575 -8.9480 -8.9480 -8.7032 -8.7032 -8.3173 -8.3173 -8.0644 -8.0644 -7.6113 -7.6113 -7.3920 -7.3920 -6.1747 -6.1747 -5.1864 -5.1864 -4.5499 -4.5499 -3.9126 -3.9126 -3.8304 -3.8304 -3.5311 -3.5311 -3.3012 -3.3012 -2.9638 -2.9638 -2.6021 -2.6021 -2.3024 -2.3024 -2.2536 -2.2536 -1.8328 -1.8328 -1.6361 -1.6361 -1.3823 -1.3823 -1.2724 -1.2724 -0.6134 -0.6134 0.1412 0.1412 0.2104 0.2104 4.6642 4.6642 5.2428 5.2428 6.5417 6.5417 7.0016 7.0016 8.5183 8.5183 8.9879 8.9879 k =-0.1413-0.1426 0.0412 ( 6835 PWs) bands (ev): -20.6275 -20.6275 -20.3379 -20.3379 -19.6547 -19.6547 -19.4143 -19.4143 -14.7173 -14.7173 -12.1111 -12.1111 -11.9540 -11.9540 -8.9535 -8.9535 -8.7122 -8.7122 -8.3254 -8.3254 -8.0737 -8.0737 -7.6204 -7.6204 -7.3829 -7.3829 -6.1648 -6.1648 -5.1853 -5.1853 -4.5416 -4.5416 -3.9032 -3.9032 -3.8440 -3.8440 -3.5272 -3.5272 -3.3106 -3.3106 -2.9632 -2.9632 -2.5841 -2.5841 -2.2933 -2.2933 -2.2537 -2.2537 -1.8014 -1.8014 -1.6392 -1.6392 -1.3764 -1.3764 -1.2745 -1.2745 -0.6327 -0.6327 0.1239 0.1239 0.2062 0.2062 4.6638 4.6638 5.2298 5.2298 6.4988 6.4988 7.0008 7.0008 8.5111 8.5111 9.0124 9.0124 k =-0.1304-0.1316 0.0380 ( 6837 PWs) bands (ev): -20.6325 -20.6325 -20.3412 -20.3412 -19.6490 -19.6490 -19.4088 -19.4088 -14.7202 -14.7202 -12.1065 -12.1065 -11.9504 -11.9504 -8.9596 -8.9596 -8.7208 -8.7208 -8.3328 -8.3328 -8.0829 -8.0829 -7.6292 -7.6292 -7.3737 -7.3737 -6.1545 -6.1545 -5.1842 -5.1842 -4.5333 -4.5333 -3.8991 -3.8991 -3.8529 -3.8529 -3.5256 -3.5256 -3.3179 -3.3179 -2.9630 -2.9630 -2.5667 -2.5667 -2.2855 -2.2855 -2.2528 -2.2528 -1.7698 -1.7698 -1.6429 -1.6429 -1.3711 -1.3711 -1.2754 -1.2754 -0.6531 -0.6531 0.1054 0.1054 0.2044 0.2044 4.6627 4.6627 5.2182 5.2182 6.4579 6.4579 7.0009 7.0009 8.5031 8.5031 9.0367 9.0367 k =-0.1196-0.1206 0.0349 ( 6832 PWs) bands (ev): -20.6371 -20.6371 -20.3443 -20.3443 -19.6437 -19.6437 -19.4038 -19.4038 -14.7230 -14.7230 -12.1022 -12.1022 -11.9468 -11.9468 -8.9660 -8.9660 -8.7287 -8.7287 -8.3397 -8.3397 -8.0918 -8.0918 -7.6375 -7.6375 -7.3645 -7.3645 -6.1438 -6.1438 -5.1833 -5.1833 -4.5250 -4.5250 -3.9055 -3.9055 -3.8510 -3.8510 -3.5265 -3.5265 -3.3227 -3.3227 -2.9631 -2.9631 -2.5501 -2.5501 -2.2789 -2.2789 -2.2510 -2.2510 -1.7388 -1.7388 -1.6469 -1.6469 -1.3670 -1.3670 -1.2747 -1.2747 -0.6744 -0.6744 0.0869 0.0869 0.2040 0.2040 4.6610 4.6610 5.2079 5.2079 6.4193 6.4193 7.0019 7.0019 8.4947 8.4947 9.0604 9.0604 k =-0.1087-0.1097 0.0317 ( 6827 PWs) bands (ev): -20.6414 -20.6414 -20.3471 -20.3471 -19.6388 -19.6388 -19.3991 -19.3991 -14.7256 -14.7256 -12.0983 -12.0983 -11.9431 -11.9431 -8.9728 -8.9728 -8.7359 -8.7359 -8.3459 -8.3459 -8.1004 -8.1004 -7.6454 -7.6454 -7.3555 -7.3555 -6.1330 -6.1330 -5.1824 -5.1824 -4.5171 -4.5171 -3.9193 -3.9193 -3.8413 -3.8413 -3.5300 -3.5300 -3.3251 -3.3251 -2.9637 -2.9637 -2.5344 -2.5344 -2.2736 -2.2736 -2.2484 -2.2484 -1.7091 -1.7091 -1.6508 -1.6508 -1.3641 -1.3641 -1.2718 -1.2718 -0.6964 -0.6964 0.0690 0.0690 0.2043 0.2043 4.6588 4.6588 5.1989 5.1989 6.3833 6.3833 7.0033 7.0033 8.4861 8.4861 9.0835 9.0835 k =-0.0978-0.0987 0.0285 ( 6824 PWs) bands (ev): -20.6453 -20.6453 -20.3497 -20.3497 -19.6343 -19.6343 -19.3949 -19.3949 -14.7280 -14.7280 -12.0946 -12.0946 -11.9395 -11.9395 -8.9796 -8.9796 -8.7424 -8.7424 -8.3516 -8.3516 -8.1085 -8.1085 -7.6527 -7.6527 -7.3469 -7.3469 -6.1223 -6.1223 -5.1818 -5.1818 -4.5095 -4.5095 -3.9352 -3.9352 -3.8286 -3.8286 -3.5358 -3.5358 -3.3253 -3.3253 -2.9646 -2.9646 -2.5199 -2.5199 -2.2693 -2.2693 -2.2451 -2.2451 -1.6826 -1.6826 -1.6533 -1.6533 -1.3627 -1.3627 -1.2667 -1.2667 -0.7188 -0.7188 0.0522 0.0522 0.2050 0.2050 4.6563 4.6563 5.1911 5.1911 6.3500 6.3500 7.0052 7.0052 8.4775 8.4775 9.1057 9.1057 k =-0.0870-0.0877 0.0254 ( 6827 PWs) bands (ev): -20.6488 -20.6488 -20.3520 -20.3520 -19.6302 -19.6302 -19.3910 -19.3910 -14.7302 -14.7302 -12.0914 -12.0914 -11.9361 -11.9361 -8.9863 -8.9863 -8.7481 -8.7481 -8.3567 -8.3567 -8.1161 -8.1161 -7.6593 -7.6593 -7.3389 -7.3389 -6.1118 -6.1118 -5.1815 -5.1815 -4.5026 -4.5026 -3.9510 -3.9510 -3.8151 -3.8151 -3.5432 -3.5432 -3.3240 -3.3240 -2.9657 -2.9657 -2.5066 -2.5066 -2.2655 -2.2655 -2.2417 -2.2417 -1.6688 -1.6688 -1.6451 -1.6451 -1.3626 -1.3626 -1.2592 -1.2592 -0.7414 -0.7414 0.0366 0.0366 0.2059 0.2059 4.6536 4.6536 5.1844 5.1844 6.3198 6.3198 7.0072 7.0072 8.4692 8.4692 9.1268 9.1268 k =-0.0761-0.0768 0.0222 ( 6824 PWs) bands (ev): -20.6519 -20.6519 -20.3540 -20.3540 -19.6265 -19.6265 -19.3877 -19.3877 -14.7322 -14.7322 -12.0885 -12.0885 -11.9329 -11.9329 -8.9927 -8.9927 -8.7532 -8.7532 -8.3612 -8.3612 -8.1231 -8.1231 -7.6652 -7.6652 -7.3315 -7.3315 -6.1017 -6.1017 -5.1815 -5.1815 -4.4963 -4.4963 -3.9658 -3.9658 -3.8016 -3.8016 -3.5517 -3.5517 -3.3216 -3.3216 -2.9671 -2.9671 -2.4947 -2.4947 -2.2620 -2.2620 -2.2385 -2.2385 -1.6701 -1.6701 -1.6241 -1.6241 -1.3636 -1.3636 -1.2497 -1.2497 -0.7639 -0.7639 0.0226 0.0226 0.2070 0.2070 4.6509 4.6509 5.1788 5.1788 6.2928 6.2928 7.0094 7.0094 8.4613 8.4613 9.1465 9.1465 k =-0.0652-0.0658 0.0190 ( 6828 PWs) bands (ev): -20.6547 -20.6547 -20.3557 -20.3557 -19.6234 -19.6234 -19.3847 -19.3847 -14.7339 -14.7339 -12.0860 -12.0860 -11.9299 -11.9299 -8.9986 -8.9986 -8.7575 -8.7575 -8.3651 -8.3651 -8.1293 -8.1293 -7.6705 -7.6705 -7.3249 -7.3249 -6.0923 -6.0923 -5.1817 -5.1817 -4.4908 -4.4908 -3.9790 -3.9790 -3.7886 -3.7886 -3.5607 -3.5607 -3.3187 -3.3187 -2.9686 -2.9686 -2.4841 -2.4841 -2.2585 -2.2585 -2.2359 -2.2359 -1.6738 -1.6738 -1.6031 -1.6031 -1.3654 -1.3654 -1.2386 -1.2386 -0.7858 -0.7858 0.0101 0.0101 0.2080 0.2080 4.6482 4.6482 5.1741 5.1741 6.2691 6.2691 7.0116 7.0116 8.4540 8.4540 9.1647 9.1647 k =-0.0543-0.0548 0.0158 ( 6834 PWs) bands (ev): -20.6570 -20.6570 -20.3572 -20.3572 -19.6206 -19.6206 -19.3822 -19.3822 -14.7354 -14.7354 -12.0839 -12.0839 -11.9273 -11.9273 -9.0039 -9.0039 -8.7612 -8.7612 -8.3684 -8.3684 -8.1347 -8.1347 -7.6749 -7.6749 -7.3192 -7.3192 -6.0839 -6.0839 -5.1821 -5.1821 -4.4862 -4.4862 -3.9904 -3.9904 -3.7767 -3.7767 -3.5694 -3.5694 -3.3157 -3.3157 -2.9701 -2.9701 -2.4752 -2.4752 -2.2549 -2.2549 -2.2340 -2.2340 -1.6776 -1.6776 -1.5845 -1.5845 -1.3677 -1.3677 -1.2266 -1.2266 -0.8067 -0.8067 -0.0007 -0.0007 0.2090 0.2090 4.6457 4.6457 5.1702 5.1702 6.2488 6.2488 7.0136 7.0136 8.4475 8.4475 9.1809 9.1809 k =-0.0435-0.0439 0.0127 ( 6837 PWs) bands (ev): -20.6589 -20.6589 -20.3585 -20.3585 -19.6184 -19.6184 -19.3802 -19.3802 -14.7366 -14.7366 -12.0821 -12.0821 -11.9251 -11.9251 -9.0085 -9.0085 -8.7642 -8.7642 -8.3711 -8.3711 -8.1392 -8.1392 -7.6786 -7.6786 -7.3144 -7.3144 -6.0766 -6.0766 -5.1826 -5.1826 -4.4824 -4.4824 -3.9997 -3.9997 -3.7661 -3.7661 -3.5775 -3.5775 -3.3130 -3.3130 -2.9715 -2.9715 -2.4677 -2.4677 -2.2514 -2.2514 -2.2329 -2.2329 -1.6811 -1.6811 -1.5690 -1.5690 -1.3700 -1.3700 -1.2143 -1.2143 -0.8258 -0.8258 -0.0096 -0.0096 0.2098 0.2098 4.6436 4.6436 5.1671 5.1671 6.2321 6.2321 7.0154 7.0154 8.4420 8.4420 9.1949 9.1949 k =-0.0326-0.0329 0.0095 ( 6835 PWs) bands (ev): -20.6604 -20.6604 -20.3594 -20.3594 -19.6167 -19.6167 -19.3786 -19.3786 -14.7376 -14.7376 -12.0808 -12.0808 -11.9233 -11.9233 -9.0121 -9.0121 -8.7665 -8.7665 -8.3733 -8.3733 -8.1428 -8.1428 -7.6815 -7.6815 -7.3106 -7.3106 -6.0707 -6.0707 -5.1831 -5.1831 -4.4796 -4.4796 -4.0070 -4.0070 -3.7573 -3.7573 -3.5843 -3.5843 -3.3107 -3.3107 -2.9726 -2.9726 -2.4619 -2.4619 -2.2479 -2.2479 -2.2326 -2.2326 -1.6840 -1.6840 -1.5567 -1.5567 -1.3722 -1.3722 -1.2030 -1.2030 -0.8422 -0.8422 -0.0166 -0.0166 0.2105 0.2105 4.6418 4.6418 5.1648 5.1648 6.2190 6.2190 7.0169 7.0169 8.4376 8.4376 9.2064 9.2064 k =-0.0217-0.0219 0.0063 ( 6838 PWs) bands (ev): -20.6615 -20.6615 -20.3601 -20.3601 -19.6154 -19.6154 -19.3774 -19.3774 -14.7383 -14.7383 -12.0798 -12.0798 -11.9221 -11.9221 -9.0148 -9.0148 -8.7681 -8.7681 -8.3748 -8.3748 -8.1454 -8.1454 -7.6835 -7.6835 -7.3078 -7.3078 -6.0663 -6.0663 -5.1835 -5.1835 -4.4775 -4.4775 -4.0121 -4.0121 -3.7507 -3.7507 -3.5896 -3.5896 -3.3090 -3.3090 -2.9736 -2.9736 -2.4578 -2.4578 -2.2447 -2.2447 -2.2330 -2.2330 -1.6862 -1.6862 -1.5479 -1.5479 -1.3739 -1.3739 -1.1937 -1.1937 -0.8551 -0.8551 -0.0216 -0.0216 0.2111 0.2111 4.6404 4.6404 5.1632 5.1632 6.2096 6.2096 7.0180 7.0180 8.4343 8.4343 9.2149 9.2149 k =-0.0109-0.0110 0.0032 ( 6836 PWs) bands (ev): -20.6621 -20.6621 -20.3605 -20.3605 -19.6147 -19.6147 -19.3768 -19.3768 -14.7387 -14.7387 -12.0792 -12.0792 -11.9213 -11.9213 -9.0164 -9.0164 -8.7691 -8.7691 -8.3757 -8.3757 -8.1469 -8.1469 -7.6848 -7.6848 -7.3061 -7.3061 -6.0636 -6.0636 -5.1838 -5.1838 -4.4763 -4.4763 -4.0152 -4.0152 -3.7466 -3.7466 -3.5930 -3.5930 -3.3079 -3.3079 -2.9741 -2.9741 -2.4553 -2.4553 -2.2422 -2.2422 -2.2338 -2.2338 -1.6875 -1.6875 -1.5425 -1.5425 -1.3751 -1.3751 -1.1874 -1.1874 -0.8633 -0.8633 -0.0247 -0.0247 0.2114 0.2114 4.6396 4.6396 5.1622 5.1622 6.2040 6.2040 7.0187 7.0187 8.4324 8.4324 9.2202 9.2202 k = 0.0000 0.0000 0.0000 ( 6833 PWs) bands (ev): -20.6623 -20.6623 -20.3606 -20.3606 -19.6144 -19.6144 -19.3765 -19.3765 -14.7389 -14.7389 -12.0790 -12.0790 -11.9210 -11.9210 -9.0169 -9.0169 -8.7694 -8.7694 -8.3760 -8.3760 -8.1475 -8.1475 -7.6852 -7.6852 -7.3056 -7.3056 -6.0627 -6.0627 -5.1839 -5.1839 -4.4759 -4.4759 -4.0162 -4.0162 -3.7451 -3.7451 -3.5941 -3.5941 -3.3076 -3.3076 -2.9743 -2.9743 -2.4545 -2.4545 -2.2411 -2.2411 -2.2343 -2.2343 -1.6880 -1.6880 -1.5407 -1.5407 -1.3755 -1.3755 -1.1853 -1.1853 -0.8662 -0.8662 -0.0257 -0.0257 0.2115 0.2115 4.6393 4.6393 5.1619 5.1619 6.2021 6.2021 7.0189 7.0189 8.4317 8.4317 9.2219 9.2219 k = 0.0000 0.0000 0.0000 ( 6833 PWs) bands (ev): -20.6623 -20.6623 -20.3606 -20.3606 -19.6144 -19.6144 -19.3765 -19.3765 -14.7389 -14.7389 -12.0790 -12.0790 -11.9210 -11.9210 -9.0169 -9.0169 -8.7694 -8.7694 -8.3760 -8.3760 -8.1475 -8.1475 -7.6852 -7.6852 -7.3056 -7.3056 -6.0627 -6.0627 -5.1839 -5.1839 -4.4759 -4.4759 -4.0162 -4.0162 -3.7451 -3.7451 -3.5941 -3.5941 -3.3076 -3.3076 -2.9743 -2.9743 -2.4545 -2.4545 -2.2411 -2.2411 -2.2343 -2.2343 -1.6880 -1.6880 -1.5407 -1.5407 -1.3755 -1.3755 -1.1853 -1.1853 -0.8662 -0.8662 -0.0257 -0.0257 0.2115 0.2115 4.6393 4.6393 5.1619 5.1619 6.2021 6.2021 7.0189 7.0189 8.4317 8.4317 9.2219 9.2219 k = 0.0000 0.0000 0.0154 ( 6837 PWs) bands (ev): -20.6623 -20.6623 -20.3606 -20.3606 -19.6144 -19.6144 -19.3765 -19.3765 -14.7389 -14.7389 -12.0790 -12.0790 -11.9211 -11.9211 -9.0164 -9.0164 -8.7694 -8.7694 -8.3764 -8.3764 -8.1472 -8.1472 -7.6850 -7.6850 -7.3059 -7.3059 -6.0642 -6.0642 -5.1836 -5.1836 -4.4762 -4.4762 -4.0151 -4.0151 -3.7456 -3.7456 -3.5926 -3.5926 -3.3068 -3.3068 -2.9748 -2.9748 -2.4545 -2.4545 -2.2432 -2.2432 -2.2320 -2.2320 -1.6883 -1.6883 -1.5422 -1.5422 -1.3753 -1.3753 -1.1873 -1.1873 -0.8639 -0.8639 -0.0257 -0.0257 0.2107 0.2107 4.6398 4.6398 5.1618 5.1618 6.2040 6.2040 7.0198 7.0198 8.4311 8.4311 9.1969 9.1969 k = 0.0000 0.0000 0.0308 ( 6838 PWs) bands (ev): -20.6623 -20.6623 -20.3607 -20.3607 -19.6144 -19.6144 -19.3765 -19.3765 -14.7389 -14.7389 -12.0789 -12.0789 -11.9213 -11.9213 -9.0150 -9.0150 -8.7692 -8.7692 -8.3776 -8.3776 -8.1464 -8.1464 -7.6845 -7.6845 -7.3068 -7.3068 -6.0685 -6.0685 -5.1827 -5.1827 -4.4770 -4.4770 -4.0119 -4.0119 -3.7468 -3.7468 -3.5880 -3.5880 -3.3045 -3.3045 -2.9761 -2.9761 -2.4546 -2.4546 -2.2466 -2.2466 -2.2279 -2.2279 -1.6891 -1.6891 -1.5466 -1.5466 -1.3749 -1.3749 -1.1932 -1.1932 -0.8572 -0.8572 -0.0255 -0.0255 0.2084 0.2084 4.6410 4.6410 5.1614 5.1614 6.2099 6.2099 7.0226 7.0226 8.4294 8.4294 9.1375 9.1375 k = 0.0000 0.0000 0.0462 ( 6834 PWs) bands (ev): -20.6623 -20.6623 -20.3607 -20.3607 -19.6144 -19.6144 -19.3765 -19.3765 -14.7389 -14.7389 -12.0788 -12.0788 -11.9215 -11.9215 -9.0126 -9.0126 -8.7689 -8.7689 -8.3797 -8.3797 -8.1450 -8.1450 -7.6837 -7.6837 -7.3084 -7.3084 -6.0755 -6.0755 -5.1812 -5.1812 -4.4785 -4.4785 -4.0066 -4.0066 -3.7486 -3.7486 -3.5807 -3.5807 -3.3006 -3.3006 -2.9783 -2.9783 -2.4547 -2.4547 -2.2501 -2.2501 -2.2232 -2.2232 -1.6906 -1.6906 -1.5539 -1.5539 -1.3743 -1.3743 -1.2020 -1.2020 -0.8467 -0.8467 -0.0253 -0.0253 0.2046 0.2046 4.6430 4.6430 5.1609 5.1609 6.2196 6.2196 7.0273 7.0273 8.4266 8.4266 9.0629 9.0629 k = 0.0000 0.0000 0.0616 ( 6832 PWs) bands (ev): -20.6622 -20.6622 -20.3608 -20.3608 -19.6144 -19.6144 -19.3765 -19.3765 -14.7390 -14.7390 -12.0787 -12.0787 -11.9220 -11.9220 -9.0094 -9.0094 -8.7684 -8.7684 -8.3825 -8.3825 -8.1431 -8.1431 -7.6825 -7.6825 -7.3106 -7.3106 -6.0850 -6.0850 -5.1792 -5.1792 -4.4806 -4.4806 -3.9990 -3.9990 -3.7510 -3.7510 -3.5707 -3.5707 -3.2952 -3.2952 -2.9813 -2.9813 -2.4549 -2.4549 -2.2532 -2.2532 -2.2184 -2.2184 -1.6928 -1.6928 -1.5640 -1.5640 -1.3734 -1.3734 -1.2129 -1.2129 -0.8335 -0.8335 -0.0251 -0.0251 0.1994 0.1994 4.6457 4.6457 5.1601 5.1601 6.2331 6.2331 7.0337 7.0337 8.4227 8.4227 8.9817 8.9817 k = 0.0000 0.0000 0.0770 ( 6832 PWs) bands (ev): -20.6622 -20.6622 -20.3608 -20.3608 -19.6144 -19.6144 -19.3766 -19.3766 -14.7390 -14.7390 -12.0785 -12.0785 -11.9225 -11.9225 -9.0053 -9.0053 -8.7679 -8.7679 -8.3860 -8.3860 -8.1408 -8.1408 -7.6810 -7.6810 -7.3135 -7.3135 -6.0966 -6.0966 -5.1768 -5.1768 -4.4837 -4.4837 -3.9893 -3.9893 -3.7536 -3.7536 -3.5584 -3.5584 -3.2885 -3.2885 -2.9851 -2.9851 -2.4552 -2.4552 -2.2561 -2.2561 -2.2135 -2.2135 -1.6960 -1.6960 -1.5768 -1.5768 -1.3723 -1.3723 -1.2248 -1.2248 -0.8183 -0.8183 -0.0248 -0.0248 0.1929 0.1929 4.6492 4.6492 5.1591 5.1591 6.2503 6.2503 7.0419 7.0419 8.4176 8.4176 8.8975 8.8975 k = 0.0000 0.0000 0.0924 ( 6832 PWs) bands (ev): -20.6621 -20.6621 -20.3609 -20.3609 -19.6144 -19.6144 -19.3766 -19.3766 -14.7391 -14.7391 -12.0783 -12.0783 -11.9231 -11.9231 -9.0004 -9.0004 -8.7671 -8.7671 -8.3902 -8.3902 -8.1382 -8.1382 -7.6790 -7.6790 -7.3170 -7.3170 -6.1100 -6.1100 -5.1742 -5.1742 -4.4876 -4.4876 -3.9774 -3.9774 -3.7565 -3.7565 -3.5440 -3.5440 -3.2804 -3.2804 -2.9898 -2.9898 -2.4555 -2.4555 -2.2586 -2.2586 -2.2088 -2.2088 -1.7003 -1.7003 -1.5918 -1.5918 -1.3711 -1.3711 -1.2369 -1.2369 -0.8019 -0.8019 -0.0245 -0.0245 0.1853 0.1853 4.6532 4.6532 5.1580 5.1580 6.2712 6.2712 7.0517 7.0517 8.4114 8.4114 8.8116 8.8116 k = 0.0000 0.0000 0.1078 ( 6831 PWs) bands (ev): -20.6620 -20.6620 -20.3610 -20.3610 -19.6144 -19.6144 -19.3766 -19.3766 -14.7391 -14.7391 -12.0780 -12.0780 -11.9238 -11.9238 -8.9949 -8.9949 -8.7661 -8.7661 -8.3951 -8.3951 -8.1352 -8.1352 -7.6766 -7.6766 -7.3214 -7.3214 -6.1249 -6.1249 -5.1715 -5.1715 -4.4924 -4.4924 -3.9635 -3.9635 -3.7593 -3.7593 -3.5277 -3.5277 -3.2710 -3.2710 -2.9952 -2.9952 -2.4558 -2.4558 -2.2607 -2.2607 -2.2042 -2.2042 -1.7065 -1.7065 -1.6084 -1.6084 -1.3697 -1.3697 -1.2485 -1.2485 -0.7850 -0.7850 -0.0242 -0.0242 0.1767 0.1767 4.6577 4.6577 5.1567 5.1567 6.2957 6.2957 7.0631 7.0631 8.4041 8.4041 8.7253 8.7253 k = 0.0000 0.0000 0.1232 ( 6831 PWs) bands (ev): -20.6619 -20.6619 -20.3611 -20.3611 -19.6143 -19.6143 -19.3766 -19.3766 -14.7392 -14.7392 -12.0777 -12.0777 -11.9245 -11.9245 -8.9888 -8.9888 -8.7649 -8.7649 -8.4005 -8.4005 -8.1320 -8.1320 -7.6736 -7.6736 -7.3264 -7.3264 -6.1407 -6.1407 -5.1687 -5.1687 -4.4981 -4.4981 -3.9479 -3.9479 -3.7621 -3.7621 -3.5097 -3.5097 -3.2606 -3.2606 -3.0013 -3.0013 -2.4563 -2.4563 -2.2624 -2.2624 -2.2000 -2.2000 -1.7152 -1.7152 -1.6253 -1.6253 -1.3683 -1.3683 -1.2591 -1.2591 -0.7680 -0.7680 -0.0240 -0.0240 0.1674 0.1674 4.6626 4.6626 5.1554 5.1554 6.3235 6.3235 7.0758 7.0758 8.3956 8.3956 8.6390 8.6390 k = 0.0000 0.0000 0.1386 ( 6829 PWs) bands (ev): -20.6618 -20.6618 -20.3612 -20.3612 -19.6143 -19.6143 -19.3766 -19.3766 -14.7393 -14.7393 -12.0774 -12.0774 -11.9253 -11.9253 -8.9822 -8.9822 -8.7635 -8.7635 -8.4063 -8.4063 -8.1287 -8.1287 -7.6702 -7.6702 -7.3323 -7.3323 -6.1572 -6.1572 -5.1659 -5.1659 -4.5047 -4.5047 -3.9309 -3.9309 -3.7648 -3.7648 -3.4904 -3.4904 -3.2490 -3.2490 -3.0080 -3.0080 -2.4567 -2.4567 -2.2638 -2.2638 -2.1963 -2.1963 -1.7276 -1.7276 -1.6410 -1.6410 -1.3667 -1.3667 -1.2687 -1.2687 -0.7513 -0.7513 -0.0240 -0.0240 0.1576 0.1576 4.6678 4.6678 5.1539 5.1539 6.3546 6.3546 7.0898 7.0898 8.3855 8.3855 8.5536 8.5536 k = 0.0000 0.0000 0.1540 ( 6835 PWs) bands (ev): -20.6617 -20.6617 -20.3613 -20.3613 -19.6143 -19.6143 -19.3766 -19.3766 -14.7394 -14.7394 -12.0771 -12.0771 -11.9262 -11.9262 -8.9753 -8.9753 -8.7617 -8.7617 -8.4126 -8.4126 -8.1252 -8.1252 -7.6662 -7.6662 -7.3390 -7.3390 -6.1739 -6.1739 -5.1633 -5.1633 -4.5120 -4.5120 -3.9128 -3.9128 -3.7672 -3.7672 -3.4697 -3.4697 -3.2365 -3.2365 -3.0153 -3.0153 -2.4572 -2.4572 -2.2649 -2.2649 -2.1932 -2.1932 -1.7444 -1.7444 -1.6543 -1.6543 -1.3651 -1.3651 -1.2771 -1.2771 -0.7352 -0.7352 -0.0242 -0.0242 0.1475 0.1475 4.6731 4.6731 5.1524 5.1524 6.3888 6.3888 7.1049 7.1049 8.3724 8.3724 8.4710 8.4710 k = 0.0000 0.0000 0.1693 ( 6833 PWs) bands (ev): -20.6616 -20.6616 -20.3614 -20.3614 -19.6143 -19.6143 -19.3766 -19.3766 -14.7395 -14.7395 -12.0768 -12.0768 -11.9271 -11.9271 -8.9683 -8.9683 -8.7597 -8.7597 -8.4193 -8.4193 -8.1218 -8.1218 -7.6615 -7.6615 -7.3464 -7.3464 -6.1905 -6.1905 -5.1608 -5.1608 -4.5198 -4.5198 -3.8941 -3.8941 -3.7694 -3.7694 -3.4481 -3.4481 -3.2231 -3.2231 -3.0232 -3.0232 -2.4577 -2.4577 -2.2657 -2.2657 -2.1911 -2.1911 -1.7652 -1.7652 -1.6647 -1.6647 -1.3635 -1.3635 -1.2844 -1.2844 -0.7199 -0.7199 -0.0246 -0.0246 0.1375 0.1375 4.6786 4.6786 5.1508 5.1508 6.4258 6.4258 7.1208 7.1208 8.3467 8.3467 8.4014 8.4014 k = 0.0000 0.0000 0.1847 ( 6829 PWs) bands (ev): -20.6615 -20.6615 -20.3615 -20.3615 -19.6143 -19.6143 -19.3767 -19.3767 -14.7396 -14.7396 -12.0765 -12.0765 -11.9279 -11.9279 -8.9612 -8.9612 -8.7572 -8.7572 -8.4262 -8.4262 -8.1184 -8.1184 -7.6563 -7.6563 -7.3547 -7.3547 -6.2067 -6.2067 -5.1585 -5.1585 -4.5279 -4.5279 -3.8753 -3.8753 -3.7714 -3.7714 -3.4257 -3.4257 -3.2090 -3.2090 -3.0314 -3.0314 -2.4582 -2.4582 -2.2664 -2.2664 -2.1902 -2.1902 -1.7887 -1.7887 -1.6727 -1.6727 -1.3619 -1.3619 -1.2906 -1.2906 -0.7056 -0.7056 -0.0253 -0.0253 0.1276 0.1276 4.6840 4.6840 5.1493 5.1493 6.4654 6.4654 7.1372 7.1372 8.2841 8.2841 8.3694 8.3694 k = 0.0000 0.0000 0.2001 ( 6831 PWs) bands (ev): -20.6614 -20.6614 -20.3617 -20.3617 -19.6143 -19.6143 -19.3767 -19.3767 -14.7397 -14.7397 -12.0761 -12.0761 -11.9288 -11.9288 -8.9542 -8.9542 -8.7545 -8.7545 -8.4333 -8.4333 -8.1152 -8.1152 -7.6504 -7.6504 -7.3636 -7.3636 -6.2222 -6.2222 -5.1565 -5.1565 -4.5361 -4.5361 -3.8568 -3.8568 -3.7729 -3.7729 -3.4029 -3.4029 -3.1943 -3.1943 -3.0398 -3.0398 -2.4586 -2.4586 -2.2669 -2.2669 -2.1907 -2.1907 -1.8135 -1.8135 -1.6790 -1.6790 -1.3603 -1.3603 -1.2958 -1.2958 -0.6923 -0.6923 -0.0263 -0.0263 0.1182 0.1182 4.6892 4.6892 5.1478 5.1478 6.5072 6.5072 7.1538 7.1538 8.2065 8.2065 8.3538 8.3538 k = 0.0000 0.0000 0.2155 ( 6834 PWs) bands (ev): -20.6613 -20.6613 -20.3618 -20.3618 -19.6143 -19.6143 -19.3767 -19.3767 -14.7397 -14.7397 -12.0758 -12.0758 -11.9297 -11.9297 -8.9475 -8.9475 -8.7515 -8.7515 -8.4405 -8.4405 -8.1121 -8.1121 -7.6440 -7.6440 -7.3732 -7.3732 -6.2368 -6.2368 -5.1546 -5.1546 -4.5443 -4.5443 -3.8394 -3.8394 -3.7740 -3.7740 -3.3799 -3.3799 -3.1793 -3.1793 -3.0483 -3.0483 -2.4590 -2.4590 -2.2675 -2.2675 -2.1928 -2.1928 -1.8380 -1.8380 -1.6842 -1.6842 -1.3587 -1.3587 -1.3003 -1.3003 -0.6802 -0.6802 -0.0277 -0.0277 0.1095 0.1095 4.6942 4.6942 5.1463 5.1463 6.5510 6.5510 7.1702 7.1702 8.1282 8.1282 8.3409 8.3409 k = 0.0000 0.0000 0.2309 ( 6832 PWs) bands (ev): -20.6612 -20.6612 -20.3619 -20.3619 -19.6143 -19.6143 -19.3767 -19.3767 -14.7398 -14.7398 -12.0755 -12.0755 -11.9305 -11.9305 -8.9411 -8.9411 -8.7481 -8.7481 -8.4476 -8.4476 -8.1093 -8.1093 -7.6370 -7.6370 -7.3832 -7.3832 -6.2502 -6.2502 -5.1530 -5.1530 -4.5522 -4.5522 -3.8234 -3.8234 -3.7743 -3.7743 -3.3571 -3.3571 -3.1646 -3.1646 -3.0563 -3.0563 -2.4592 -2.4592 -2.2684 -2.2684 -2.1968 -2.1968 -1.8610 -1.8610 -1.6887 -1.6887 -1.3572 -1.3572 -1.3040 -1.3040 -0.6694 -0.6694 -0.0295 -0.0295 0.1017 0.1017 4.6989 4.6989 5.1449 5.1449 6.5960 6.5960 7.1861 7.1861 8.0519 8.0519 8.3288 8.3288 k = 0.0000 0.0000 0.2463 ( 6831 PWs) bands (ev): -20.6611 -20.6611 -20.3620 -20.3620 -19.6143 -19.6143 -19.3767 -19.3767 -14.7399 -14.7399 -12.0752 -12.0752 -11.9312 -11.9312 -8.9354 -8.9354 -8.7446 -8.7446 -8.4545 -8.4545 -8.1067 -8.1067 -7.6296 -7.6296 -7.3936 -7.3936 -6.2623 -6.2623 -5.1516 -5.1516 -4.5596 -4.5596 -3.8099 -3.8099 -3.7735 -3.7735 -3.3349 -3.3349 -3.1511 -3.1511 -3.0633 -3.0633 -2.4592 -2.4592 -2.2697 -2.2697 -2.2025 -2.2025 -1.8815 -1.8815 -1.6926 -1.6926 -1.3558 -1.3558 -1.3072 -1.3072 -0.6597 -0.6597 -0.0316 -0.0316 0.0948 0.0948 4.7033 4.7033 5.1437 5.1437 6.6419 6.6419 7.2009 7.2009 7.9788 7.9788 8.3175 8.3175 k = 0.0000 0.0000 0.2617 ( 6835 PWs) bands (ev): -20.6610 -20.6610 -20.3621 -20.3621 -19.6142 -19.6142 -19.3767 -19.3767 -14.7400 -14.7400 -12.0750 -12.0750 -11.9319 -11.9319 -8.9302 -8.9302 -8.7409 -8.7409 -8.4610 -8.4610 -8.1044 -8.1044 -7.6220 -7.6220 -7.4040 -7.4040 -6.2730 -6.2730 -5.1504 -5.1504 -4.5664 -4.5664 -3.7999 -3.7999 -3.7705 -3.7705 -3.3136 -3.3136 -3.1405 -3.1405 -3.0677 -3.0677 -2.4591 -2.4591 -2.2718 -2.2718 -2.2095 -2.2095 -1.8991 -1.8991 -1.6961 -1.6961 -1.3545 -1.3545 -1.3098 -1.3098 -0.6514 -0.6514 -0.0339 -0.0339 0.0890 0.0890 4.7071 4.7071 5.1426 5.1426 6.6876 6.6876 7.2141 7.2141 7.9100 7.9100 8.3068 8.3068 k = 0.0000 0.0000 0.2771 ( 6831 PWs) bands (ev): -20.6609 -20.6609 -20.3622 -20.3622 -19.6142 -19.6142 -19.3767 -19.3767 -14.7400 -14.7400 -12.0747 -12.0747 -11.9325 -11.9325 -8.9257 -8.9257 -8.7374 -8.7374 -8.4670 -8.4670 -8.1024 -8.1024 -7.6142 -7.6142 -7.4143 -7.4143 -6.2822 -6.2822 -5.1494 -5.1494 -4.5725 -4.5725 -3.7940 -3.7940 -3.7650 -3.7650 -3.2936 -3.2936 -3.1348 -3.1348 -3.0679 -3.0679 -2.4587 -2.4587 -2.2750 -2.2750 -2.2168 -2.2168 -1.9133 -1.9133 -1.6990 -1.6990 -1.3534 -1.3534 -1.3119 -1.3119 -0.6443 -0.6443 -0.0362 -0.0362 0.0843 0.0843 4.7105 4.7105 5.1416 5.1416 6.7320 6.7320 7.2254 7.2254 7.8469 7.8469 8.2972 8.2972 k = 0.0000 0.0000 0.2925 ( 6837 PWs) bands (ev): -20.6609 -20.6609 -20.3622 -20.3622 -19.6142 -19.6142 -19.3767 -19.3767 -14.7401 -14.7401 -12.0745 -12.0745 -11.9330 -11.9330 -8.9220 -8.9220 -8.7341 -8.7341 -8.4724 -8.4724 -8.1007 -8.1007 -7.6068 -7.6068 -7.4239 -7.4239 -6.2898 -6.2898 -5.1487 -5.1487 -4.5776 -4.5776 -3.7914 -3.7914 -3.7582 -3.7582 -3.2752 -3.2752 -3.1351 -3.1351 -3.0634 -3.0634 -2.4582 -2.4582 -2.2795 -2.2795 -2.2235 -2.2235 -1.9243 -1.9243 -1.7015 -1.7015 -1.3524 -1.3524 -1.3136 -1.3136 -0.6385 -0.6385 -0.0384 -0.0384 0.0806 0.0806 4.7133 4.7133 5.1407 5.1407 6.7737 6.7737 7.2341 7.2341 7.7910 7.7910 8.2888 8.2888 k = 0.0000 0.0000 0.3079 ( 6834 PWs) bands (ev): -20.6608 -20.6608 -20.3623 -20.3623 -19.6142 -19.6142 -19.3767 -19.3767 -14.7401 -14.7401 -12.0744 -12.0744 -11.9334 -11.9334 -8.9191 -8.9191 -8.7312 -8.7312 -8.4767 -8.4767 -8.0994 -8.0994 -7.6001 -7.6001 -7.4324 -7.4324 -6.2957 -6.2957 -5.1481 -5.1481 -4.5816 -4.5816 -3.7903 -3.7903 -3.7518 -3.7518 -3.2589 -3.2589 -3.1396 -3.1396 -3.0563 -3.0563 -2.4576 -2.4576 -2.2849 -2.2849 -2.2287 -2.2287 -1.9323 -1.9323 -1.7035 -1.7035 -1.3516 -1.3516 -1.3149 -1.3149 -0.6340 -0.6340 -0.0404 -0.0404 0.0778 0.0778 4.7155 4.7155 5.1401 5.1401 6.8106 6.8106 7.2402 7.2402 7.7442 7.7442 8.2819 8.2819 k = 0.0000 0.0000 0.3233 ( 6835 PWs) bands (ev): -20.6608 -20.6608 -20.3623 -20.3623 -19.6142 -19.6142 -19.3767 -19.3767 -14.7402 -14.7402 -12.0743 -12.0743 -11.9337 -11.9337 -8.9170 -8.9170 -8.7290 -8.7290 -8.4801 -8.4801 -8.0985 -8.0985 -7.5946 -7.5946 -7.4392 -7.4392 -6.2999 -6.2999 -5.1476 -5.1476 -4.5846 -4.5846 -3.7898 -3.7898 -3.7469 -3.7469 -3.2455 -3.2455 -3.1457 -3.1457 -3.0494 -3.0494 -2.4569 -2.4569 -2.2903 -2.2903 -2.2321 -2.2321 -1.9376 -1.9376 -1.7049 -1.7049 -1.3510 -1.3510 -1.3158 -1.3158 -0.6309 -0.6309 -0.0419 -0.0419 0.0759 0.0759 4.7171 4.7171 5.1396 5.1396 6.8402 6.8402 7.2437 7.2437 7.7087 7.7087 8.2767 8.2767 k = 0.0000 0.0000 0.3387 ( 6832 PWs) bands (ev): -20.6607 -20.6607 -20.3623 -20.3623 -19.6142 -19.6142 -19.3767 -19.3767 -14.7402 -14.7402 -12.0742 -12.0742 -11.9338 -11.9338 -8.9158 -8.9158 -8.7275 -8.7275 -8.4821 -8.4821 -8.0979 -8.0979 -7.5910 -7.5910 -7.4436 -7.4436 -6.3025 -6.3025 -5.1474 -5.1474 -4.5864 -4.5864 -3.7896 -3.7896 -3.7438 -3.7438 -3.2362 -3.2362 -3.1509 -3.1509 -3.0446 -3.0446 -2.4565 -2.4565 -2.2942 -2.2942 -2.2340 -2.2340 -1.9407 -1.9407 -1.7058 -1.7058 -1.3506 -1.3506 -1.3163 -1.3163 -0.6289 -0.6289 -0.0429 -0.0429 0.0747 0.0747 4.7180 4.7180 5.1393 5.1393 6.8595 6.8595 7.2453 7.2453 7.6864 7.6864 8.2736 8.2736 k = 0.0000 0.0000 0.3541 ( 6832 PWs) bands (ev): -20.6607 -20.6607 -20.3623 -20.3623 -19.6142 -19.6142 -19.3767 -19.3767 -14.7402 -14.7402 -12.0742 -12.0742 -11.9339 -11.9339 -8.9154 -8.9154 -8.7271 -8.7271 -8.4828 -8.4828 -8.0977 -8.0977 -7.5897 -7.5897 -7.4451 -7.4451 -6.3033 -6.3033 -5.1473 -5.1473 -4.5870 -4.5870 -3.7896 -3.7896 -3.7427 -3.7427 -3.2328 -3.2328 -3.1530 -3.1530 -3.0429 -3.0429 -2.4563 -2.4563 -2.2957 -2.2957 -2.2346 -2.2346 -1.9417 -1.9417 -1.7061 -1.7061 -1.3505 -1.3505 -1.3165 -1.3165 -0.6283 -0.6283 -0.0432 -0.0432 0.0744 0.0744 4.7184 4.7184 5.1392 5.1392 6.8663 6.8663 7.2457 7.2457 7.6788 7.6788 8.2725 8.2725 k = 0.0000-0.4713 0.2265 ( 6834 PWs) bands (ev): -20.6369 -20.6369 -20.3849 -20.3849 -19.6068 -19.6068 -19.3839 -19.3839 -14.7170 -14.7170 -12.0817 -12.0817 -12.0048 -12.0048 -8.8722 -8.8722 -8.7362 -8.7362 -8.4353 -8.4353 -8.2210 -8.2210 -7.7010 -7.7010 -7.3008 -7.3008 -5.9556 -5.9556 -5.2577 -5.2577 -4.4994 -4.4994 -4.2493 -4.2493 -3.8581 -3.8581 -3.4743 -3.4743 -3.4423 -3.4423 -2.9169 -2.9169 -2.4186 -2.4186 -2.2365 -2.2365 -2.0467 -2.0467 -1.6007 -1.6007 -1.5593 -1.5593 -1.5036 -1.5036 -1.0783 -1.0783 -0.8507 -0.8507 -0.0090 -0.0090 0.4238 0.4238 4.6241 4.6241 5.3384 5.3384 7.0768 7.0768 7.6531 7.6531 8.0243 8.0243 8.3432 8.3432 k = 0.0000-0.4570 0.2197 ( 6838 PWs) bands (ev): -20.6370 -20.6370 -20.3849 -20.3849 -19.6068 -19.6068 -19.3839 -19.3839 -14.7170 -14.7170 -12.0817 -12.0817 -12.0048 -12.0048 -8.8720 -8.8720 -8.7362 -8.7362 -8.4356 -8.4356 -8.2203 -8.2203 -7.7006 -7.7006 -7.3012 -7.3012 -5.9586 -5.9586 -5.2570 -5.2570 -4.4999 -4.4999 -4.2476 -4.2476 -3.8571 -3.8571 -3.4741 -3.4741 -3.4402 -3.4402 -2.9169 -2.9169 -2.4188 -2.4188 -2.2362 -2.2362 -2.0467 -2.0467 -1.6005 -1.6005 -1.5611 -1.5611 -1.5070 -1.5070 -1.0812 -1.0812 -0.8455 -0.8455 -0.0089 -0.0089 0.4228 0.4228 4.6253 4.6253 5.3373 5.3373 7.0753 7.0753 7.6375 7.6375 8.0413 8.0413 8.3444 8.3444 k = 0.0000-0.4427 0.2128 ( 6835 PWs) bands (ev): -20.6371 -20.6371 -20.3847 -20.3847 -19.6068 -19.6068 -19.3838 -19.3838 -14.7171 -14.7171 -12.0816 -12.0816 -12.0048 -12.0048 -8.8714 -8.8714 -8.7362 -8.7362 -8.4363 -8.4363 -8.2182 -8.2182 -7.6992 -7.6992 -7.3025 -7.3025 -5.9672 -5.9672 -5.2550 -5.2550 -4.5016 -4.5016 -4.2424 -4.2424 -3.8541 -3.8541 -3.4733 -3.4733 -3.4340 -3.4340 -2.9171 -2.9171 -2.4194 -2.4194 -2.2354 -2.2354 -2.0468 -2.0468 -1.6000 -1.6000 -1.5677 -1.5677 -1.5159 -1.5159 -1.0888 -1.0888 -0.8311 -0.8311 -0.0086 -0.0086 0.4196 0.4196 4.6288 4.6288 5.3340 5.3340 7.0707 7.0707 7.5970 7.5970 8.0858 8.0858 8.3480 8.3480 k = 0.0000-0.4284 0.2059 ( 6841 PWs) bands (ev): -20.6374 -20.6374 -20.3844 -20.3844 -19.6069 -19.6069 -19.3837 -19.3837 -14.7172 -14.7172 -12.0815 -12.0815 -12.0047 -12.0047 -8.8706 -8.8706 -8.7362 -8.7362 -8.4376 -8.4376 -8.2148 -8.2148 -7.6969 -7.6969 -7.3048 -7.3048 -5.9810 -5.9810 -5.2518 -5.2518 -4.5044 -4.5044 -4.2341 -4.2341 -3.8492 -3.8492 -3.4717 -3.4717 -3.4241 -3.4241 -2.9173 -2.9173 -2.4204 -2.4204 -2.2340 -2.2340 -2.0469 -2.0469 -1.5994 -1.5994 -1.5822 -1.5822 -1.5262 -1.5262 -1.0991 -1.0991 -0.8100 -0.8100 -0.0081 -0.0081 0.4145 0.4145 4.6346 4.6346 5.3286 5.3286 7.0633 7.0633 7.5427 7.5427 8.1470 8.1470 8.3537 8.3537 k = 0.0000-0.4141 0.1991 ( 6838 PWs) bands (ev): -20.6378 -20.6378 -20.3840 -20.3840 -19.6070 -19.6070 -19.3836 -19.3836 -14.7173 -14.7173 -12.0814 -12.0814 -12.0045 -12.0045 -8.8698 -8.8698 -8.7358 -8.7358 -8.4393 -8.4393 -8.2101 -8.2101 -7.6936 -7.6936 -7.3080 -7.3080 -5.9992 -5.9992 -5.2477 -5.2477 -4.5084 -4.5084 -4.2231 -4.2231 -3.8423 -3.8423 -3.4693 -3.4693 -3.4107 -3.4107 -2.9176 -2.9176 -2.4217 -2.4217 -2.2322 -2.2322 -2.0471 -2.0471 -1.6085 -1.6085 -1.5977 -1.5977 -1.5340 -1.5340 -1.1102 -1.1102 -0.7851 -0.7851 -0.0074 -0.0074 0.4074 0.4074 4.6425 4.6425 5.3211 5.3211 7.0533 7.0533 7.4818 7.4818 8.2176 8.2176 8.3613 8.3613 k = 0.0000-0.3998 0.1922 ( 6836 PWs) bands (ev): -20.6384 -20.6384 -20.3835 -20.3835 -19.6072 -19.6072 -19.3835 -19.3835 -14.7176 -14.7176 -12.0812 -12.0812 -12.0043 -12.0043 -8.8692 -8.8692 -8.7350 -8.7350 -8.4414 -8.4414 -8.2042 -8.2042 -7.6894 -7.6894 -7.3124 -7.3124 -6.0210 -6.0210 -5.2427 -5.2427 -4.5135 -4.5135 -4.2099 -4.2099 -3.8336 -3.8336 -3.4662 -3.4662 -3.3938 -3.3938 -2.9178 -2.9178 -2.4233 -2.4233 -2.2300 -2.2300 -2.0476 -2.0476 -1.6433 -1.6433 -1.5972 -1.5972 -1.5389 -1.5389 -1.1209 -1.1209 -0.7585 -0.7585 -0.0064 -0.0064 0.3986 0.3986 4.6524 4.6524 5.3116 5.3116 7.0411 7.0411 7.4180 7.4180 8.2938 8.2938 8.3705 8.3705 k = 0.0000-0.3856 0.1853 ( 6839 PWs) bands (ev): -20.6390 -20.6390 -20.3829 -20.3829 -19.6074 -19.6074 -19.3833 -19.3833 -14.7178 -14.7178 -12.0811 -12.0811 -12.0039 -12.0039 -8.8691 -8.8691 -8.7336 -8.7336 -8.4438 -8.4438 -8.1972 -8.1972 -7.6841 -7.6841 -7.3181 -7.3181 -6.0452 -6.0452 -5.2372 -5.2372 -4.5197 -4.5197 -4.1950 -4.1950 -3.8234 -3.8234 -3.4625 -3.4625 -3.3736 -3.3736 -2.9180 -2.9180 -2.4252 -2.4252 -2.2275 -2.2275 -2.0484 -2.0484 -1.6855 -1.6855 -1.5965 -1.5965 -1.5418 -1.5418 -1.1310 -1.1310 -0.7315 -0.7315 -0.0053 -0.0053 0.3882 0.3882 4.6641 4.6641 5.3001 5.3001 7.0269 7.0269 7.3535 7.3535 8.3716 8.3716 8.3829 8.3829 k = 0.0000-0.3713 0.1785 ( 6839 PWs) bands (ev): -20.6397 -20.6397 -20.3822 -20.3822 -19.6076 -19.6076 -19.3831 -19.3831 -14.7182 -14.7182 -12.0809 -12.0809 -12.0033 -12.0033 -8.8698 -8.8698 -8.7316 -8.7316 -8.4464 -8.4464 -8.1893 -8.1893 -7.6777 -7.6777 -7.3251 -7.3251 -6.0709 -6.0709 -5.2312 -5.2312 -4.5268 -4.5268 -4.1788 -4.1788 -3.8122 -3.8122 -3.4588 -3.4588 -3.3501 -3.3501 -2.9180 -2.9180 -2.4272 -2.4272 -2.2249 -2.2249 -2.0496 -2.0496 -1.7322 -1.7322 -1.5963 -1.5963 -1.5434 -1.5434 -1.1403 -1.1403 -0.7054 -0.7054 -0.0040 -0.0040 0.3764 0.3764 4.6773 4.6773 5.2868 5.2868 7.0110 7.0110 7.2896 7.2896 8.3904 8.3904 8.4578 8.4578 k = 0.0000-0.3570 0.1716 ( 6835 PWs) bands (ev): -20.6405 -20.6405 -20.3815 -20.3815 -19.6078 -19.6078 -19.3829 -19.3829 -14.7186 -14.7186 -12.0808 -12.0808 -12.0024 -12.0024 -8.8714 -8.8714 -8.7289 -8.7289 -8.4490 -8.4490 -8.1807 -8.1807 -7.6702 -7.6702 -7.3336 -7.3336 -6.0970 -6.0970 -5.2250 -5.2250 -4.5345 -4.5345 -4.1618 -4.1618 -3.8003 -3.8003 -3.4552 -3.4552 -3.3238 -3.3238 -2.9177 -2.9177 -2.4292 -2.4292 -2.2223 -2.2223 -2.0514 -2.0514 -1.7816 -1.7816 -1.5968 -1.5968 -1.5435 -1.5435 -1.1488 -1.1488 -0.6808 -0.6808 -0.0024 -0.0024 0.3634 0.3634 4.6917 4.6917 5.2719 5.2719 6.9933 6.9933 7.2272 7.2272 8.4012 8.4012 8.5428 8.5428 k = 0.0000-0.3427 0.1647 ( 6837 PWs) bands (ev): -20.6414 -20.6414 -20.3806 -20.3806 -19.6081 -19.6081 -19.3826 -19.3826 -14.7191 -14.7191 -12.0807 -12.0807 -12.0012 -12.0012 -8.8739 -8.8739 -8.7258 -8.7258 -8.4515 -8.4515 -8.1715 -8.1715 -7.6616 -7.6616 -7.3436 -7.3436 -6.1229 -6.1229 -5.2187 -5.2187 -4.5425 -4.5425 -4.1442 -4.1442 -3.7885 -3.7885 -3.4521 -3.4521 -3.2950 -3.2950 -2.9172 -2.9172 -2.4313 -2.4313 -2.2199 -2.2199 -2.0542 -2.0542 -1.8316 -1.8316 -1.5984 -1.5984 -1.5423 -1.5423 -1.1569 -1.1569 -0.6583 -0.6583 -0.0008 -0.0008 0.3496 0.3496 4.7070 4.7070 5.2555 5.2555 6.9736 6.9736 7.1678 7.1678 8.4117 8.4117 8.6298 8.6298 k = 0.0000-0.3284 0.1579 ( 6841 PWs) bands (ev): -20.6424 -20.6424 -20.3797 -20.3797 -19.6084 -19.6084 -19.3823 -19.3823 -14.7196 -14.7196 -12.0807 -12.0807 -11.9997 -11.9997 -8.8775 -8.8775 -8.7225 -8.7225 -8.4537 -8.4537 -8.1621 -8.1621 -7.6518 -7.6518 -7.3552 -7.3552 -6.1475 -6.1475 -5.2124 -5.2124 -4.5505 -4.5505 -4.1261 -4.1261 -3.7773 -3.7773 -3.4497 -3.4497 -3.2648 -3.2648 -2.9163 -2.9163 -2.4334 -2.4334 -2.2179 -2.2179 -2.0582 -2.0582 -1.8803 -1.8803 -1.6009 -1.6009 -1.5396 -1.5396 -1.1646 -1.1646 -0.6383 -0.6383 0.0010 0.0010 0.3352 0.3352 4.7228 4.7228 5.2380 5.2380 6.9507 6.9507 7.1131 7.1131 8.4215 8.4215 8.7182 8.7182 k = 0.0000-0.3142 0.1510 ( 6841 PWs) bands (ev): -20.6435 -20.6435 -20.3787 -20.3787 -19.6087 -19.6087 -19.3820 -19.3820 -14.7203 -14.7203 -12.0806 -12.0806 -11.9978 -11.9978 -8.8818 -8.8818 -8.7193 -8.7193 -8.4553 -8.4553 -8.1527 -8.1527 -7.6409 -7.6409 -7.3680 -7.3680 -6.1705 -6.1705 -5.2060 -5.2060 -4.5581 -4.5581 -4.1075 -4.1075 -3.7672 -3.7672 -3.4482 -3.4482 -3.2342 -3.2342 -2.9151 -2.9151 -2.4353 -2.4353 -2.2164 -2.2164 -2.0643 -2.0643 -1.9253 -1.9253 -1.6044 -1.6044 -1.5355 -1.5355 -1.1721 -1.1721 -0.6209 -0.6209 0.0028 0.0028 0.3204 0.3204 4.7386 4.7386 5.2195 5.2195 6.9224 6.9224 7.0659 7.0659 8.4304 8.4304 8.8077 8.8077 k = 0.0000-0.2999 0.1441 ( 6844 PWs) bands (ev): -20.6446 -20.6446 -20.3777 -20.3777 -19.6090 -19.6090 -19.3817 -19.3817 -14.7210 -14.7210 -12.0807 -12.0807 -11.9956 -11.9956 -8.8869 -8.8869 -8.7166 -8.7166 -8.4562 -8.4562 -8.1436 -8.1436 -7.6290 -7.6290 -7.3819 -7.3819 -6.1911 -6.1911 -5.1998 -5.1998 -4.5649 -4.5649 -4.0887 -4.0887 -3.7587 -3.7587 -3.4476 -3.4476 -3.2050 -3.2050 -2.9135 -2.9135 -2.4371 -2.4371 -2.2157 -2.2157 -2.0734 -2.0734 -1.9636 -1.9636 -1.6086 -1.6086 -1.5303 -1.5303 -1.1794 -1.1794 -0.6065 -0.6065 0.0046 0.0046 0.3056 0.3056 4.7541 4.7541 5.2006 5.2006 6.8866 6.8866 7.0288 7.0288 8.4382 8.4382 8.8981 8.8981 k = 0.0000-0.2856 0.1373 ( 6845 PWs) bands (ev): -20.6457 -20.6457 -20.3766 -20.3766 -19.6093 -19.6093 -19.3814 -19.3814 -14.7217 -14.7217 -12.0807 -12.0807 -11.9929 -11.9929 -8.8926 -8.8926 -8.7148 -8.7148 -8.4561 -8.4561 -8.1351 -8.1351 -7.6165 -7.6165 -7.3964 -7.3964 -6.2090 -6.2090 -5.1937 -5.1937 -4.5707 -4.5707 -4.0694 -4.0694 -3.7520 -3.7520 -3.4480 -3.4480 -3.1789 -3.1789 -2.9117 -2.9117 -2.4388 -2.4388 -2.2159 -2.2159 -2.0865 -2.0865 -1.9922 -1.9922 -1.6133 -1.6133 -1.5240 -1.5240 -1.1867 -1.1867 -0.5952 -0.5952 0.0063 0.0063 0.2911 0.2911 4.7685 4.7685 5.1818 5.1818 6.8434 6.8434 7.0022 7.0022 8.4448 8.4448 8.9888 8.9888 k = 0.0000-0.2713 0.1304 ( 6850 PWs) bands (ev): -20.6469 -20.6469 -20.3755 -20.3755 -19.6097 -19.6097 -19.3811 -19.3811 -14.7226 -14.7226 -12.0808 -12.0808 -11.9898 -11.9898 -8.8988 -8.8988 -8.7140 -8.7140 -8.4549 -8.4549 -8.1273 -8.1273 -7.6039 -7.6039 -7.4108 -7.4108 -6.2240 -6.2240 -5.1879 -5.1879 -4.5752 -4.5752 -4.0499 -4.0499 -3.7476 -3.7476 -3.4492 -3.4492 -3.1577 -3.1577 -2.9100 -2.9100 -2.4404 -2.4404 -2.2173 -2.2173 -2.1024 -2.1024 -2.0105 -2.0105 -1.6183 -1.6183 -1.5169 -1.5169 -1.1940 -1.1940 -0.5870 -0.5870 0.0078 0.0078 0.2771 0.2771 4.7814 4.7814 5.1636 5.1636 6.7952 6.7952 6.9839 6.9839 8.4501 8.4501 9.0782 9.0782 k = 0.0000-0.2570 0.1236 ( 6845 PWs) bands (ev): -20.6481 -20.6481 -20.3743 -20.3743 -19.6101 -19.6101 -19.3807 -19.3807 -14.7235 -14.7235 -12.0808 -12.0808 -11.9864 -11.9864 -8.9053 -8.9053 -8.7145 -8.7145 -8.4527 -8.4527 -8.1206 -8.1206 -7.5920 -7.5920 -7.4240 -7.4240 -6.2358 -6.2358 -5.1823 -5.1823 -4.5780 -4.5780 -4.0300 -4.0300 -3.7457 -3.7457 -3.4510 -3.4510 -3.1431 -3.1431 -2.9087 -2.9087 -2.4420 -2.4420 -2.2193 -2.2193 -2.1174 -2.1174 -2.0202 -2.0202 -1.6235 -1.6235 -1.5089 -1.5089 -1.2014 -1.2014 -0.5819 -0.5819 0.0089 0.0089 0.2640 0.2640 4.7919 4.7919 5.1467 5.1467 6.7449 6.7449 6.9715 6.9715 8.4541 8.4541 9.1229 9.1229 k = 0.0000-0.2428 0.1167 ( 6844 PWs) bands (ev): -20.6493 -20.6493 -20.3732 -20.3732 -19.6104 -19.6104 -19.3804 -19.3804 -14.7245 -14.7245 -12.0809 -12.0809 -11.9826 -11.9826 -8.9122 -8.9122 -8.7161 -8.7161 -8.4494 -8.4494 -8.1151 -8.1151 -7.5823 -7.5823 -7.4344 -7.4344 -6.2442 -6.2442 -5.1772 -5.1772 -4.5792 -4.5792 -4.0100 -4.0100 -3.7466 -3.7466 -3.4532 -3.4532 -3.1360 -3.1360 -2.9084 -2.9084 -2.4438 -2.4438 -2.2212 -2.2212 -2.1288 -2.1288 -2.0235 -2.0235 -1.6287 -1.6287 -1.5002 -1.5002 -1.2087 -1.2087 -0.5800 -0.5800 0.0097 0.0097 0.2519 0.2519 4.7993 4.7993 5.1320 5.1320 6.6942 6.6942 6.9633 6.9633 8.4569 8.4569 9.1210 9.1210 k = 0.0000-0.2285 0.1098 ( 6842 PWs) bands (ev): -20.6505 -20.6505 -20.3720 -20.3720 -19.6108 -19.6108 -19.3800 -19.3800 -14.7256 -14.7256 -12.0809 -12.0809 -11.9785 -11.9785 -8.9194 -8.9194 -8.7189 -8.7189 -8.4452 -8.4452 -8.1109 -8.1109 -7.5767 -7.5767 -7.4401 -7.4401 -6.2493 -6.2493 -5.1725 -5.1725 -4.5786 -4.5786 -3.9899 -3.9899 -3.7506 -3.7506 -3.4555 -3.4555 -3.1369 -3.1369 -2.9094 -2.9094 -2.4457 -2.4457 -2.2221 -2.2221 -2.1365 -2.1365 -2.0206 -2.0206 -1.6339 -1.6339 -1.4909 -1.4909 -1.2161 -1.2161 -0.5813 -0.5813 0.0099 0.0099 0.2411 0.2411 4.8030 4.8030 5.1202 5.1202 6.6442 6.6442 6.9584 6.9584 8.4585 8.4585 9.1187 9.1187 k = 0.0000-0.2142 0.1030 ( 6842 PWs) bands (ev): -20.6517 -20.6517 -20.3709 -20.3709 -19.6111 -19.6111 -19.3797 -19.3797 -14.7267 -14.7267 -12.0809 -12.0809 -11.9741 -11.9741 -8.9267 -8.9267 -8.7226 -8.7226 -8.4402 -8.4402 -8.1082 -8.1082 -7.5765 -7.5765 -7.4396 -7.4396 -6.2510 -6.2510 -5.1684 -5.1684 -4.5761 -4.5761 -3.9698 -3.9698 -3.7578 -3.7578 -3.4579 -3.4579 -3.1456 -3.1456 -2.9117 -2.9117 -2.4478 -2.4478 -2.2216 -2.2216 -2.1419 -2.1419 -2.0107 -2.0107 -1.6390 -1.6390 -1.4809 -1.4809 -1.2234 -1.2234 -0.5857 -0.5857 0.0094 0.0094 0.2318 0.2318 4.8025 4.8025 5.1118 5.1118 6.5956 6.5956 6.9561 6.9561 8.4591 8.4591 9.1175 9.1175 k = 0.0000-0.1999 0.0961 ( 6835 PWs) bands (ev): -20.6529 -20.6529 -20.3697 -20.3697 -19.6115 -19.6115 -19.3793 -19.3793 -14.7278 -14.7278 -12.0808 -12.0808 -11.9695 -11.9695 -8.9343 -8.9343 -8.7270 -8.7270 -8.4346 -8.4346 -8.1069 -8.1069 -7.5818 -7.5818 -7.4329 -7.4329 -6.2492 -6.2492 -5.1650 -5.1650 -4.5718 -4.5718 -3.9502 -3.9502 -3.7681 -3.7681 -3.4602 -3.4602 -3.1609 -3.1609 -2.9153 -2.9153 -2.4497 -2.4497 -2.2206 -2.2206 -2.1467 -2.1467 -1.9925 -1.9925 -1.6438 -1.6438 -1.4704 -1.4704 -1.2307 -1.2307 -0.5931 -0.5931 0.0083 0.0083 0.2240 0.2240 4.7977 4.7977 5.1071 5.1071 6.5489 6.5489 6.9561 6.9561 8.4587 8.4587 9.1178 9.1178 k = 0.0000-0.1856 0.0892 ( 6832 PWs) bands (ev): -20.6540 -20.6540 -20.3686 -20.3686 -19.6118 -19.6118 -19.3790 -19.3790 -14.7289 -14.7289 -12.0808 -12.0808 -11.9647 -11.9647 -8.9420 -8.9420 -8.7319 -8.7319 -8.4287 -8.4287 -8.1070 -8.1070 -7.5910 -7.5910 -7.4217 -7.4217 -6.2441 -6.2441 -5.1622 -5.1622 -4.5658 -4.5658 -3.9313 -3.9313 -3.7812 -3.7812 -3.4626 -3.4626 -3.1814 -3.1814 -2.9196 -2.9196 -2.4515 -2.4515 -2.2198 -2.2198 -2.1521 -2.1521 -1.9659 -1.9659 -1.6484 -1.6484 -1.4593 -1.4593 -1.2379 -1.2379 -0.6036 -0.6036 0.0065 0.0065 0.2178 0.2178 4.7889 4.7889 5.1058 5.1058 6.5043 6.5043 6.9579 6.9579 8.4576 8.4576 9.1197 9.1197 k = 0.0000-0.1714 0.0824 ( 6826 PWs) bands (ev): -20.6551 -20.6551 -20.3676 -20.3676 -19.6122 -19.6122 -19.3787 -19.3787 -14.7301 -14.7301 -12.0806 -12.0806 -11.9598 -11.9598 -8.9499 -8.9499 -8.7370 -8.7370 -8.4225 -8.4225 -8.1083 -8.1083 -7.6023 -7.6023 -7.4080 -7.4080 -6.2357 -6.2357 -5.1603 -5.1603 -4.5584 -4.5584 -3.9139 -3.9139 -3.7963 -3.7963 -3.4654 -3.4654 -3.2051 -3.2051 -2.9244 -2.9244 -2.4529 -2.4529 -2.2197 -2.2197 -2.1587 -2.1587 -1.9318 -1.9318 -1.6526 -1.6526 -1.4476 -1.4476 -1.2448 -1.2448 -0.6169 -0.6169 0.0041 0.0041 0.2131 0.2131 4.7768 4.7768 5.1076 5.1076 6.4621 6.4621 6.9613 6.9613 8.4559 8.4559 9.1232 9.1232 k = 0.0000-0.1571 0.0755 ( 6829 PWs) bands (ev): -20.6562 -20.6562 -20.3666 -20.3666 -19.6125 -19.6125 -19.3784 -19.3784 -14.7312 -14.7312 -12.0805 -12.0805 -11.9549 -11.9549 -8.9578 -8.9578 -8.7420 -8.7420 -8.4163 -8.4163 -8.1107 -8.1107 -7.6143 -7.6143 -7.3932 -7.3932 -6.2243 -6.2243 -5.1592 -5.1592 -4.5497 -4.5497 -3.8998 -3.8998 -3.8113 -3.8113 -3.4693 -3.4693 -3.2297 -3.2297 -2.9295 -2.9295 -2.4540 -2.4540 -2.2204 -2.2204 -2.1663 -2.1663 -1.8920 -1.8920 -1.6563 -1.6563 -1.4355 -1.4355 -1.2513 -1.2513 -0.6330 -0.6330 0.0012 0.0012 0.2098 0.2098 4.7623 4.7623 5.1115 5.1115 6.4225 6.4225 6.9660 6.9660 8.4537 8.4537 9.1283 9.1283 k = 0.0000-0.1428 0.0686 ( 6827 PWs) bands (ev): -20.6572 -20.6572 -20.3656 -20.3656 -19.6128 -19.6128 -19.3781 -19.3781 -14.7324 -14.7324 -12.0803 -12.0803 -11.9501 -11.9501 -8.9658 -8.9658 -8.7469 -8.7469 -8.4102 -8.4102 -8.1141 -8.1141 -7.6261 -7.6261 -7.3785 -7.3785 -6.2101 -6.2101 -5.1591 -5.1591 -4.5402 -4.5402 -3.8928 -3.8928 -3.8220 -3.8220 -3.4749 -3.4749 -3.2530 -3.2530 -2.9348 -2.9348 -2.4547 -2.4547 -2.2220 -2.2220 -2.1747 -2.1747 -1.8489 -1.8489 -1.6595 -1.6595 -1.4230 -1.4230 -1.2570 -1.2570 -0.6517 -0.6517 -0.0021 -0.0021 0.2078 0.2078 4.7464 4.7464 5.1170 5.1170 6.3858 6.3858 6.9717 6.9717 8.4511 8.4511 9.1350 9.1350 k = 0.0000-0.1285 0.0618 ( 6836 PWs) bands (ev): -20.6581 -20.6581 -20.3647 -20.3647 -19.6131 -19.6131 -19.3778 -19.3778 -14.7335 -14.7335 -12.0802 -12.0802 -11.9453 -11.9453 -8.9737 -8.9737 -8.7513 -8.7513 -8.4044 -8.4044 -8.1182 -8.1182 -7.6373 -7.6373 -7.3646 -7.3646 -6.1935 -6.1935 -5.1599 -5.1599 -4.5301 -4.5301 -3.8982 -3.8982 -3.8224 -3.8224 -3.4831 -3.4831 -3.2732 -3.2732 -2.9401 -2.9401 -2.4551 -2.4551 -2.2241 -2.2241 -2.1835 -2.1835 -1.8046 -1.8046 -1.6618 -1.6618 -1.4104 -1.4104 -1.2616 -1.2616 -0.6728 -0.6728 -0.0056 -0.0056 0.2067 0.2067 4.7299 4.7299 5.1234 5.1234 6.3520 6.3520 6.9780 6.9780 8.4483 8.4483 9.1431 9.1431 k = 0.0000-0.1142 0.0549 ( 6839 PWs) bands (ev): -20.6589 -20.6589 -20.3639 -20.3639 -19.6134 -19.6134 -19.3775 -19.3775 -14.7345 -14.7345 -12.0800 -12.0800 -11.9408 -11.9408 -8.9814 -8.9814 -8.7553 -8.7553 -8.3989 -8.3989 -8.1226 -8.1226 -7.6474 -7.6474 -7.3519 -7.3519 -6.1752 -6.1752 -5.1616 -5.1616 -4.5200 -4.5200 -3.9137 -3.9137 -3.8141 -3.8141 -3.4944 -3.4944 -3.2889 -3.2889 -2.9456 -2.9456 -2.4553 -2.4553 -2.2266 -2.2266 -2.1923 -2.1923 -1.7617 -1.7617 -1.6625 -1.6625 -1.3982 -1.3982 -1.2641 -1.2641 -0.6961 -0.6961 -0.0091 -0.0091 0.2065 0.2065 4.7135 4.7135 5.1300 5.1300 6.3213 6.3213 6.9846 6.9846 8.4455 8.4455 9.1525 9.1525 k = 0.0000-0.1000 0.0480 ( 6834 PWs) bands (ev): -20.6597 -20.6597 -20.3632 -20.3632 -19.6136 -19.6136 -19.3773 -19.3773 -14.7354 -14.7354 -12.0798 -12.0798 -11.9366 -11.9366 -8.9887 -8.9887 -8.7588 -8.7588 -8.3938 -8.3938 -8.1273 -8.1273 -7.6564 -7.6564 -7.3406 -7.3406 -6.1557 -6.1557 -5.1641 -5.1641 -4.5103 -4.5103 -3.9332 -3.9332 -3.8022 -3.8022 -3.5087 -3.5087 -3.2997 -3.2997 -2.9509 -2.9509 -2.4554 -2.4554 -2.2294 -2.2294 -2.2008 -2.2008 -1.7242 -1.7242 -1.6593 -1.6593 -1.3872 -1.3872 -1.2637 -1.2637 -0.7212 -0.7212 -0.0126 -0.0126 0.2068 0.2068 4.6978 4.6978 5.1366 5.1366 6.2939 6.2939 6.9913 6.9913 8.4427 8.4427 9.1629 9.1629 k = 0.0000-0.0857 0.0412 ( 6833 PWs) bands (ev): -20.6604 -20.6604 -20.3625 -20.3625 -19.6138 -19.6138 -19.3771 -19.3771 -14.7363 -14.7363 -12.0796 -12.0796 -11.9327 -11.9327 -8.9956 -8.9956 -8.7618 -8.7618 -8.3893 -8.3893 -8.1319 -8.1319 -7.6642 -7.6642 -7.3310 -7.3310 -6.1358 -6.1358 -5.1674 -5.1674 -4.5013 -4.5013 -3.9531 -3.9531 -3.7898 -3.7898 -3.5249 -3.5249 -3.3061 -3.3061 -2.9562 -2.9562 -2.4553 -2.4553 -2.2321 -2.2321 -2.2087 -2.2087 -1.6995 -1.6995 -1.6461 -1.6461 -1.3786 -1.3786 -1.2589 -1.2589 -0.7476 -0.7476 -0.0158 -0.0158 0.2075 0.2075 4.6834 4.6834 5.1428 5.1428 6.2699 6.2699 6.9977 6.9977 8.4401 8.4401 9.1740 9.1740 k = 0.0000-0.0714 0.0343 ( 6832 PWs) bands (ev): -20.6610 -20.6610 -20.3619 -20.3619 -19.6140 -19.6140 -19.3769 -19.3769 -14.7370 -14.7370 -12.0794 -12.0794 -11.9293 -11.9293 -9.0017 -9.0017 -8.7642 -8.7642 -8.3853 -8.3853 -8.1362 -8.1362 -7.6707 -7.6707 -7.3230 -7.3230 -6.1166 -6.1166 -5.1710 -5.1710 -4.4935 -4.4935 -3.9715 -3.9715 -3.7779 -3.7779 -3.5419 -3.5419 -3.3091 -3.3091 -2.9611 -2.9611 -2.4551 -2.4551 -2.2348 -2.2348 -2.2159 -2.2159 -1.6904 -1.6904 -1.6213 -1.6213 -1.3733 -1.3733 -1.2490 -1.2490 -0.7746 -0.7746 -0.0187 -0.0187 0.2084 0.2084 4.6705 4.6705 5.1483 5.1483 6.2494 6.2494 7.0037 7.0037 8.4377 8.4377 9.1854 9.1854 k = 0.0000-0.0571 0.0275 ( 6836 PWs) bands (ev): -20.6615 -20.6615 -20.3615 -20.3615 -19.6141 -19.6141 -19.3768 -19.3768 -14.7377 -14.7377 -12.0793 -12.0793 -11.9264 -11.9264 -9.0069 -9.0069 -8.7662 -8.7662 -8.3820 -8.3820 -8.1400 -8.1400 -7.6760 -7.6760 -7.3166 -7.3166 -6.0990 -6.0990 -5.1749 -5.1749 -4.4870 -4.4870 -3.9873 -3.9873 -3.7673 -3.7673 -3.5583 -3.5583 -3.3099 -3.3099 -2.9655 -2.9655 -2.4549 -2.4549 -2.2371 -2.2371 -2.2221 -2.2221 -1.6881 -1.6881 -1.5948 -1.5948 -1.3713 -1.3713 -1.2346 -1.2346 -0.8013 -0.8013 -0.0211 -0.0211 0.2094 0.2094 4.6596 4.6596 5.1531 5.1531 6.2325 6.2325 7.0089 7.0089 8.4356 8.4356 9.1965 9.1965 k = 0.0000-0.0428 0.0206 ( 6842 PWs) bands (ev): -20.6618 -20.6618 -20.3611 -20.3611 -19.6143 -19.6143 -19.3767 -19.3767 -14.7382 -14.7382 -12.0792 -12.0792 -11.9241 -11.9241 -9.0112 -9.0112 -8.7676 -8.7676 -8.3794 -8.3794 -8.1432 -8.1432 -7.6800 -7.6800 -7.3117 -7.3117 -6.0840 -6.0840 -5.1784 -5.1784 -4.4821 -4.4821 -3.9999 -3.9999 -3.7582 -3.7582 -3.5728 -3.5728 -3.3095 -3.3095 -2.9692 -2.9692 -2.4547 -2.4547 -2.2389 -2.2389 -2.2272 -2.2272 -1.6877 -1.6877 -1.5720 -1.5720 -1.3718 -1.3718 -1.2177 -1.2177 -0.8260 -0.8260 -0.0231 -0.0231 0.2102 0.2102 4.6509 4.6509 5.1569 5.1569 6.2192 6.2192 7.0131 7.0131 8.4339 8.4339 9.2066 9.2066 k = 0.0000-0.0286 0.0137 ( 6837 PWs) bands (ev): -20.6621 -20.6621 -20.3608 -20.3608 -19.6143 -19.6143 -19.3766 -19.3766 -14.7386 -14.7386 -12.0791 -12.0791 -11.9224 -11.9224 -9.0144 -9.0144 -8.7686 -8.7686 -8.3775 -8.3775 -8.1455 -8.1455 -7.6829 -7.6829 -7.3083 -7.3083 -6.0725 -6.0725 -5.1814 -5.1814 -4.4786 -4.4786 -4.0090 -4.0090 -3.7512 -3.7512 -3.5842 -3.5842 -3.3086 -3.3086 -2.9720 -2.9720 -2.4546 -2.4546 -2.2402 -2.2402 -2.2310 -2.2310 -1.6877 -1.6877 -1.5549 -1.5549 -1.3733 -1.3733 -1.2015 -1.2015 -0.8469 -0.8469 -0.0245 -0.0245 0.2109 0.2109 4.6445 4.6445 5.1597 5.1597 6.2097 6.2097 7.0163 7.0163 8.4327 8.4327 9.2147 9.2147 k = 0.0000-0.0143 0.0069 ( 6836 PWs) bands (ev): -20.6623 -20.6623 -20.3607 -20.3607 -19.6144 -19.6144 -19.3766 -19.3766 -14.7388 -14.7388 -12.0791 -12.0791 -11.9214 -11.9214 -9.0163 -9.0163 -8.7692 -8.7692 -8.3763 -8.3763 -8.1470 -8.1470 -7.6846 -7.6846 -7.3063 -7.3063 -6.0652 -6.0652 -5.1833 -5.1833 -4.4766 -4.4766 -4.0144 -4.0144 -3.7467 -3.7467 -3.5916 -3.5916 -3.3079 -3.3079 -2.9737 -2.9737 -2.4545 -2.4545 -2.2409 -2.2409 -2.2335 -2.2335 -1.6879 -1.6879 -1.5443 -1.5443 -1.3749 -1.3749 -1.1897 -1.1897 -0.8611 -0.8611 -0.0254 -0.0254 0.2114 0.2114 4.6406 4.6406 5.1613 5.1613 6.2040 6.2040 7.0182 7.0182 8.4320 8.4320 9.2201 9.2201 k = 0.0000 0.0000 0.0000 ( 6833 PWs) bands (ev): -20.6623 -20.6623 -20.3606 -20.3606 -19.6144 -19.6144 -19.3765 -19.3765 -14.7389 -14.7389 -12.0790 -12.0790 -11.9210 -11.9210 -9.0169 -9.0169 -8.7694 -8.7694 -8.3760 -8.3760 -8.1475 -8.1475 -7.6852 -7.6852 -7.3056 -7.3056 -6.0627 -6.0627 -5.1839 -5.1839 -4.4759 -4.4759 -4.0162 -4.0162 -3.7451 -3.7451 -3.5941 -3.5941 -3.3076 -3.3076 -2.9743 -2.9743 -2.4545 -2.4545 -2.2411 -2.2411 -2.2343 -2.2343 -1.6880 -1.6880 -1.5407 -1.5407 -1.3755 -1.3755 -1.1853 -1.1853 -0.8662 -0.8662 -0.0257 -0.0257 0.2115 0.2115 4.6393 4.6393 5.1619 5.1619 6.2021 6.2021 7.0189 7.0189 8.4317 8.4317 9.2219 9.2219 Writing output data file BH4C3O2.save init_run : 0.39s CPU 0.74s WALL ( 1 calls) electrons : 244.88s CPU 249.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 244.88s CPU 249.21s 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 : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.11s WALL ( 250 calls) cegterg : 224.48s CPU 226.84s WALL ( 414 calls) Called by sum_band: Called by *egterg: h_psi : 121.96s CPU 123.80s WALL ( 5800 calls) s_psi : 7.27s CPU 7.22s WALL ( 5800 calls) g_psi : 0.41s CPU 0.42s WALL ( 5136 calls) cdiaghg : 79.21s CPU 80.09s WALL ( 5386 calls) cegterg:over : 12.57s CPU 12.79s WALL ( 5136 calls) cegterg:upda : 11.00s CPU 10.90s WALL ( 5136 calls) cegterg:last : 5.28s CPU 5.25s WALL ( 914 calls) cdiaghg:chol : 4.89s CPU 4.70s WALL ( 5386 calls) cdiaghg:inve : 3.30s CPU 3.43s WALL ( 5386 calls) cdiaghg:para : 6.02s CPU 6.03s WALL ( 10772 calls) Called by h_psi: h_psi:vloc : 104.74s CPU 106.28s WALL ( 5800 calls) h_psi:vnl : 16.76s CPU 17.02s WALL ( 5800 calls) add_vuspsi : 7.72s CPU 7.56s WALL ( 5800 calls) General routines calbec : 9.02s CPU 9.44s WALL ( 5800 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 96.60s CPU 98.26s WALL ( 903788 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.43s WALL ( 500 calls) Parallel routines fft_scatter : 33.58s CPU 33.81s WALL ( 903811 calls) PWSCF : 4m27.70s CPU 5m 5.06s WALL This run was terminated on: 16: 1:50 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=