Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:31:50 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: ./SrHfN2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 50 30 9 1035 473 80 Max 51 31 10 1038 486 82 Sum 1819 1081 333 37305 17227 2895 bravais-lattice index = 14 lattice parameter (alat) = 11.7182 a.u. unit-cell volume = 385.2824 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.718182 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.854524 celldm(5)= 0.854524 celldm(6)= 0.854524 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.854524 0.519411 0.000000 ) a(3) = ( 0.854524 0.239333 0.460985 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.645179 -0.999550 ) b(2) = ( 0.000000 1.925257 -0.999550 ) b(3) = ( 0.000000 0.000000 2.169266 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 Hf 12.00 178.49000 Hf( 1.00) Sr 10.00 87.62000 Sr( 1.00) N 5.00 14.00670 N( 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= 362 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 2) = ( 0.0090909 -0.0149562 -0.0090868), wk = 0.0027624 k( 3) = ( 0.0181818 -0.0299123 -0.0181736), wk = 0.0027624 k( 4) = ( 0.0272727 -0.0448685 -0.0272605), wk = 0.0027624 k( 5) = ( 0.0363636 -0.0598247 -0.0363473), wk = 0.0027624 k( 6) = ( 0.0454546 -0.0747809 -0.0454341), wk = 0.0027624 k( 7) = ( 0.0545455 -0.0897370 -0.0545209), wk = 0.0027624 k( 8) = ( 0.0636364 -0.1046932 -0.0636078), wk = 0.0027624 k( 9) = ( 0.0727273 -0.1196494 -0.0726946), wk = 0.0027624 k( 10) = ( 0.0818182 -0.1346055 -0.0817814), wk = 0.0027624 k( 11) = ( 0.0909091 -0.1495617 -0.0908682), wk = 0.0027624 k( 12) = ( 0.1000000 -0.1645179 -0.0999550), wk = 0.0027624 k( 13) = ( 0.1090909 -0.1794741 -0.1090419), wk = 0.0027624 k( 14) = ( 0.1181818 -0.1944302 -0.1181287), wk = 0.0027624 k( 15) = ( 0.1272727 -0.2093864 -0.1272155), wk = 0.0027624 k( 16) = ( 0.1363636 -0.2243426 -0.1363023), wk = 0.0027624 k( 17) = ( 0.1454545 -0.2392988 -0.1453892), wk = 0.0027624 k( 18) = ( 0.1545455 -0.2542549 -0.1544760), wk = 0.0027624 k( 19) = ( 0.1636364 -0.2692111 -0.1635628), wk = 0.0027624 k( 20) = ( 0.1727273 -0.2841673 -0.1726496), wk = 0.0027624 k( 21) = ( 0.1818182 -0.2991234 -0.1817364), wk = 0.0027624 k( 22) = ( 0.1909091 -0.3140796 -0.1908233), wk = 0.0027624 k( 23) = ( 0.2000000 -0.3290358 -0.1999101), wk = 0.0027624 k( 24) = ( 0.2090909 -0.3439919 -0.2089969), wk = 0.0027624 k( 25) = ( 0.2181818 -0.3589481 -0.2180837), wk = 0.0027624 k( 26) = ( 0.2272727 -0.3739043 -0.2271706), wk = 0.0027624 k( 27) = ( 0.2363636 -0.3888605 -0.2362574), wk = 0.0027624 k( 28) = ( 0.2454545 -0.4038166 -0.2453442), wk = 0.0027624 k( 29) = ( 0.2545455 -0.4187728 -0.2544310), wk = 0.0027624 k( 30) = ( 0.2636364 -0.4337290 -0.2635178), wk = 0.0027624 k( 31) = ( 0.2727273 -0.4486851 -0.2726047), wk = 0.0027624 k( 32) = ( 0.2818182 -0.4636413 -0.2816915), wk = 0.0027624 k( 33) = ( 0.2909091 -0.4785975 -0.2907783), wk = 0.0027624 k( 34) = ( 0.3000000 -0.4935537 -0.2998651), wk = 0.0027624 k( 35) = ( 0.3090909 -0.5085098 -0.3089520), wk = 0.0027624 k( 36) = ( 0.3181818 -0.5234660 -0.3180388), wk = 0.0027624 k( 37) = ( 0.3272727 -0.5384222 -0.3271256), wk = 0.0027624 k( 38) = ( 0.3363636 -0.5533784 -0.3362124), wk = 0.0027624 k( 39) = ( 0.3454546 -0.5683345 -0.3452992), wk = 0.0027624 k( 40) = ( 0.3545454 -0.5832907 -0.3543861), wk = 0.0027624 k( 41) = ( 0.3636364 -0.5982469 -0.3634729), wk = 0.0027624 k( 42) = ( 0.3727273 -0.6132030 -0.3725597), wk = 0.0027624 k( 43) = ( 0.3818182 -0.6281592 -0.3816465), wk = 0.0027624 k( 44) = ( 0.3909091 -0.6431154 -0.3907333), wk = 0.0027624 k( 45) = ( 0.4000000 -0.6580715 -0.3998202), wk = 0.0027624 k( 46) = ( 0.4090909 -0.6730277 -0.4089070), wk = 0.0027624 k( 47) = ( 0.4181818 -0.6879839 -0.4179938), wk = 0.0027624 k( 48) = ( 0.4272727 -0.7029401 -0.4270806), wk = 0.0027624 k( 49) = ( 0.4363636 -0.7178962 -0.4361675), wk = 0.0027624 k( 50) = ( 0.4454546 -0.7328524 -0.4452543), wk = 0.0027624 k( 51) = ( 0.4545455 -0.7478086 -0.4543411), wk = 0.0027624 k( 52) = ( 0.4636364 -0.7627647 -0.4634279), wk = 0.0027624 k( 53) = ( 0.4727273 -0.7777209 -0.4725147), wk = 0.0027624 k( 54) = ( 0.4818182 -0.7926771 -0.4816016), wk = 0.0027624 k( 55) = ( 0.4909091 -0.8076333 -0.4906884), wk = 0.0027624 k( 56) = ( 0.5000000 -0.8225894 -0.4997752), wk = 0.0027624 k( 57) = ( 0.5000000 -0.8225894 -0.4997752), wk = 0.0027624 k( 58) = ( 0.5000000 -0.8124369 -0.5164854), wk = 0.0027624 k( 59) = ( 0.5000000 -0.8022844 -0.5331956), wk = 0.0027624 k( 60) = ( 0.5000000 -0.7921319 -0.5499059), wk = 0.0027624 k( 61) = ( 0.5000000 -0.7819794 -0.5666161), wk = 0.0027624 k( 62) = ( 0.5000000 -0.7718268 -0.5833263), wk = 0.0027624 k( 63) = ( 0.5000000 -0.7616743 -0.6000365), wk = 0.0027624 k( 64) = ( 0.5000000 -0.7515218 -0.6167468), wk = 0.0027624 k( 65) = ( 0.5000000 -0.7413693 -0.6334570), wk = 0.0027624 k( 66) = ( 0.5000000 -0.7312168 -0.6501672), wk = 0.0027624 k( 67) = ( 0.5000000 -0.7210643 -0.6668774), wk = 0.0027624 k( 68) = ( 0.5000000 -0.7109117 -0.6835876), wk = 0.0027624 k( 69) = ( 0.5000000 -0.7007592 -0.7002979), wk = 0.0027624 k( 70) = ( 0.5000000 -0.6906067 -0.7170081), wk = 0.0027624 k( 71) = ( 0.5000000 -0.6804542 -0.7337183), wk = 0.0027624 k( 72) = ( 0.5000000 -0.6703017 -0.7504285), wk = 0.0027624 k( 73) = ( 0.5000000 -0.6601492 -0.7671387), wk = 0.0027624 k( 74) = ( 0.5000000 -0.6499966 -0.7838490), wk = 0.0027624 k( 75) = ( 0.5000000 -0.6398441 -0.8005592), wk = 0.0027624 k( 76) = ( 0.5000000 -0.6296916 -0.8172694), wk = 0.0027624 k( 77) = ( 0.5000000 -0.6195391 -0.8339796), wk = 0.0027624 k( 78) = ( 0.5000000 -0.6093865 -0.8506899), wk = 0.0027624 k( 79) = ( 0.5000000 -0.5992340 -0.8674001), wk = 0.0027624 k( 80) = ( 0.5000000 -0.5890815 -0.8841103), wk = 0.0027624 k( 81) = ( 0.5000000 -0.5789290 -0.9008205), wk = 0.0027624 k( 82) = ( 0.5000000 -0.5687765 -0.9175307), wk = 0.0027624 k( 83) = ( 0.5000000 -0.5586240 -0.9342410), wk = 0.0027624 k( 84) = ( 0.5000000 -0.5484714 -0.9509512), wk = 0.0027624 k( 85) = ( 0.5000000 -0.5383189 -0.9676614), wk = 0.0027624 k( 86) = ( 0.5000000 -0.5281664 -0.9843716), wk = 0.0027624 k( 87) = ( 0.5000000 -0.5180139 -1.0010819), wk = 0.0027624 k( 88) = ( 0.5000000 -0.5078614 -1.0177921), wk = 0.0027624 k( 89) = ( 0.5000000 -0.4977088 -1.0345023), wk = 0.0027624 k( 90) = ( 0.5000000 -0.4875563 -1.0512125), wk = 0.0027624 k( 91) = ( 0.5000000 -0.4774038 -1.0679227), wk = 0.0027624 k( 92) = ( 0.5000000 -0.4672513 -1.0846330), wk = 0.0027624 k( 93) = ( 0.8154334 -0.3789054 -0.9144679), wk = 0.0027624 k( 94) = ( 0.8101761 -0.3702563 -0.8978087), wk = 0.0027624 k( 95) = ( 0.8049189 -0.3616072 -0.8811496), wk = 0.0027624 k( 96) = ( 0.7996617 -0.3529582 -0.8644904), wk = 0.0027624 k( 97) = ( 0.7944045 -0.3443091 -0.8478312), wk = 0.0027624 k( 98) = ( 0.7891473 -0.3356600 -0.8311720), wk = 0.0027624 k( 99) = ( 0.7838900 -0.3270110 -0.8145129), wk = 0.0027624 k( 100) = ( 0.7786328 -0.3183619 -0.7978537), wk = 0.0027624 k( 101) = ( 0.7733756 -0.3097128 -0.7811945), wk = 0.0027624 k( 102) = ( 0.7681184 -0.3010637 -0.7645353), wk = 0.0027624 k( 103) = ( 0.7628611 -0.2924147 -0.7478761), wk = 0.0027624 k( 104) = ( 0.7576039 -0.2837656 -0.7312170), wk = 0.0027624 k( 105) = ( 0.7523467 -0.2751165 -0.7145578), wk = 0.0027624 k( 106) = ( 0.7470895 -0.2664675 -0.6978987), wk = 0.0027624 k( 107) = ( 0.7418322 -0.2578184 -0.6812395), wk = 0.0027624 k( 108) = ( 0.7365750 -0.2491693 -0.6645803), wk = 0.0027624 k( 109) = ( 0.7313178 -0.2405202 -0.6479211), wk = 0.0027624 k( 110) = ( 0.7260606 -0.2318712 -0.6312619), wk = 0.0027624 k( 111) = ( 0.7208034 -0.2232221 -0.6146028), wk = 0.0027624 k( 112) = ( 0.7155461 -0.2145730 -0.5979436), wk = 0.0027624 k( 113) = ( 0.7102889 -0.2059240 -0.5812844), wk = 0.0027624 k( 114) = ( 0.7050317 -0.1972749 -0.5646252), wk = 0.0027624 k( 115) = ( 0.6997745 -0.1886258 -0.5479661), wk = 0.0027624 k( 116) = ( 0.6945172 -0.1799767 -0.5313069), wk = 0.0027624 k( 117) = ( 0.6892600 -0.1713277 -0.5146477), wk = 0.0027624 k( 118) = ( 0.6840028 -0.1626786 -0.4979886), wk = 0.0027624 k( 119) = ( 0.6787456 -0.1540295 -0.4813294), wk = 0.0027624 k( 120) = ( 0.6734884 -0.1453805 -0.4646702), wk = 0.0027624 k( 121) = ( 0.6682311 -0.1367314 -0.4480110), wk = 0.0027624 k( 122) = ( 0.6629739 -0.1280823 -0.4313519), wk = 0.0027624 k( 123) = ( 0.6577167 -0.1194332 -0.4146927), wk = 0.0027624 k( 124) = ( 0.6524595 -0.1107841 -0.3980335), wk = 0.0027624 k( 125) = ( 0.6472022 -0.1021351 -0.3813743), wk = 0.0027624 k( 126) = ( 0.6419450 -0.0934860 -0.3647152), wk = 0.0027624 k( 127) = ( 0.6366878 -0.0848369 -0.3480560), wk = 0.0027624 k( 128) = ( 0.6314306 -0.0761879 -0.3313968), wk = 0.0027624 k( 129) = ( 0.6261733 -0.0675388 -0.3147376), wk = 0.0027624 k( 130) = ( 0.6209161 -0.0588897 -0.2980785), wk = 0.0027624 k( 131) = ( 0.6156589 -0.0502406 -0.2814193), wk = 0.0027624 k( 132) = ( 0.6104017 -0.0415916 -0.2647601), wk = 0.0027624 k( 133) = ( 0.6051445 -0.0329425 -0.2481010), wk = 0.0027624 k( 134) = ( 0.5998872 -0.0242934 -0.2314418), wk = 0.0027624 k( 135) = ( 0.5946300 -0.0156444 -0.2147826), wk = 0.0027624 k( 136) = ( 0.5893728 -0.0069953 -0.1981234), wk = 0.0027624 k( 137) = ( 0.5841156 0.0016538 -0.1814643), wk = 0.0027624 k( 138) = ( 0.5788583 0.0103029 -0.1648051), wk = 0.0027624 k( 139) = ( 0.5736011 0.0189519 -0.1481459), wk = 0.0027624 k( 140) = ( 0.5683439 0.0276010 -0.1314867), wk = 0.0027624 k( 141) = ( 0.5630867 0.0362501 -0.1148275), wk = 0.0027624 k( 142) = ( 0.5578294 0.0448991 -0.0981684), wk = 0.0027624 k( 143) = ( 0.5525722 0.0535482 -0.0815092), wk = 0.0027624 k( 144) = ( 0.5473150 0.0621973 -0.0648500), wk = 0.0027624 k( 145) = ( 0.5420578 0.0708464 -0.0481909), wk = 0.0027624 k( 146) = ( 0.5368006 0.0794954 -0.0315317), wk = 0.0027624 k( 147) = ( 0.5315433 0.0881445 -0.0148725), wk = 0.0027624 k( 148) = ( 0.5262861 0.0967936 0.0017867), wk = 0.0027624 k( 149) = ( 0.5210289 0.1054426 0.0184458), wk = 0.0027624 k( 150) = ( 0.5157717 0.1140917 0.0351050), wk = 0.0027624 k( 151) = ( 0.5105144 0.1227408 0.0517642), wk = 0.0027624 k( 152) = ( 0.5052572 0.1313899 0.0684234), wk = 0.0027624 k( 153) = ( 0.5000000 0.1400389 0.0850825), wk = 0.0027624 k( 154) = ( 0.5000000 0.1400389 0.0850825), wk = 0.0027624 k( 155) = ( 0.4814815 0.1348523 0.0819313), wk = 0.0027624 k( 156) = ( 0.4629630 0.1296657 0.0787801), wk = 0.0027624 k( 157) = ( 0.4444444 0.1244791 0.0756289), wk = 0.0027624 k( 158) = ( 0.4259259 0.1192924 0.0724777), wk = 0.0027624 k( 159) = ( 0.4074074 0.1141058 0.0693265), wk = 0.0027624 k( 160) = ( 0.3888889 0.1089192 0.0661753), wk = 0.0027624 k( 161) = ( 0.3703704 0.1037325 0.0630241), wk = 0.0027624 k( 162) = ( 0.3518519 0.0985459 0.0598729), wk = 0.0027624 k( 163) = ( 0.3333333 0.0933593 0.0567217), wk = 0.0027624 k( 164) = ( 0.3148148 0.0881727 0.0535705), wk = 0.0027624 k( 165) = ( 0.2962963 0.0829860 0.0504193), wk = 0.0027624 k( 166) = ( 0.2777778 0.0777994 0.0472681), wk = 0.0027624 k( 167) = ( 0.2592593 0.0726128 0.0441169), wk = 0.0027624 k( 168) = ( 0.2407407 0.0674262 0.0409657), wk = 0.0027624 k( 169) = ( 0.2222222 0.0622395 0.0378145), wk = 0.0027624 k( 170) = ( 0.2037037 0.0570529 0.0346633), wk = 0.0027624 k( 171) = ( 0.1851852 0.0518663 0.0315120), wk = 0.0027624 k( 172) = ( 0.1666667 0.0466796 0.0283608), wk = 0.0027624 k( 173) = ( 0.1481482 0.0414930 0.0252096), wk = 0.0027624 k( 174) = ( 0.1296296 0.0363064 0.0220584), wk = 0.0027624 k( 175) = ( 0.1111111 0.0311198 0.0189072), wk = 0.0027624 k( 176) = ( 0.0925926 0.0259331 0.0157560), wk = 0.0027624 k( 177) = ( 0.0740741 0.0207465 0.0126048), wk = 0.0027624 k( 178) = ( 0.0555556 0.0155599 0.0094536), wk = 0.0027624 k( 179) = ( 0.0370370 0.0103733 0.0063024), wk = 0.0027624 k( 180) = ( 0.0185185 0.0051866 0.0031512), wk = 0.0027624 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 183) = ( 0.0052659 -0.0086633 -0.0166867), wk = 0.0027624 k( 184) = ( 0.0105318 -0.0173267 -0.0333733), wk = 0.0027624 k( 185) = ( 0.0157977 -0.0259900 -0.0500600), wk = 0.0027624 k( 186) = ( 0.0210636 -0.0346534 -0.0667466), wk = 0.0027624 k( 187) = ( 0.0263295 -0.0433167 -0.0834333), wk = 0.0027624 k( 188) = ( 0.0315954 -0.0519801 -0.1001200), wk = 0.0027624 k( 189) = ( 0.0368613 -0.0606434 -0.1168066), wk = 0.0027624 k( 190) = ( 0.0421272 -0.0693067 -0.1334933), wk = 0.0027624 k( 191) = ( 0.0473931 -0.0779701 -0.1501799), wk = 0.0027624 k( 192) = ( 0.0526590 -0.0866334 -0.1668666), wk = 0.0027624 k( 193) = ( 0.0579249 -0.0952968 -0.1835533), wk = 0.0027624 k( 194) = ( 0.0631908 -0.1039601 -0.2002399), wk = 0.0027624 k( 195) = ( 0.0684567 -0.1126235 -0.2169266), wk = 0.0027624 k( 196) = ( 0.0737226 -0.1212868 -0.2336133), wk = 0.0027624 k( 197) = ( 0.0789885 -0.1299501 -0.2502999), wk = 0.0027624 k( 198) = ( 0.0842544 -0.1386135 -0.2669866), wk = 0.0027624 k( 199) = ( 0.0895202 -0.1472768 -0.2836732), wk = 0.0027624 k( 200) = ( 0.0947861 -0.1559402 -0.3003599), wk = 0.0027624 k( 201) = ( 0.1000521 -0.1646035 -0.3170466), wk = 0.0027624 k( 202) = ( 0.1053179 -0.1732668 -0.3337332), wk = 0.0027624 k( 203) = ( 0.1105838 -0.1819302 -0.3504199), wk = 0.0027624 k( 204) = ( 0.1158497 -0.1905935 -0.3671065), wk = 0.0027624 k( 205) = ( 0.1211156 -0.1992569 -0.3837932), wk = 0.0027624 k( 206) = ( 0.1263815 -0.2079202 -0.4004799), wk = 0.0027624 k( 207) = ( 0.1316474 -0.2165836 -0.4171665), wk = 0.0027624 k( 208) = ( 0.1369133 -0.2252469 -0.4338532), wk = 0.0027624 k( 209) = ( 0.1421792 -0.2339102 -0.4505398), wk = 0.0027624 k( 210) = ( 0.1474451 -0.2425736 -0.4672265), wk = 0.0027624 k( 211) = ( 0.1527110 -0.2512369 -0.4839132), wk = 0.0027624 k( 212) = ( 0.1579769 -0.2599003 -0.5005998), wk = 0.0027624 k( 213) = ( 0.1632428 -0.2685636 -0.5172865), wk = 0.0027624 k( 214) = ( 0.1685087 -0.2772270 -0.5339732), wk = 0.0027624 k( 215) = ( 0.1737746 -0.2858903 -0.5506598), wk = 0.0027624 k( 216) = ( 0.1790405 -0.2945536 -0.5673465), wk = 0.0027624 k( 217) = ( 0.1843064 -0.3032170 -0.5840331), wk = 0.0027624 k( 218) = ( 0.1895723 -0.3118803 -0.6007198), wk = 0.0027624 k( 219) = ( 0.1948382 -0.3205437 -0.6174064), wk = 0.0027624 k( 220) = ( 0.2001041 -0.3292070 -0.6340931), wk = 0.0027624 k( 221) = ( 0.2053700 -0.3378704 -0.6507798), wk = 0.0027624 k( 222) = ( 0.2106359 -0.3465337 -0.6674664), wk = 0.0027624 k( 223) = ( 0.2159018 -0.3551970 -0.6841531), wk = 0.0027624 k( 224) = ( 0.2211677 -0.3638604 -0.7008398), wk = 0.0027624 k( 225) = ( 0.2264336 -0.3725237 -0.7175264), wk = 0.0027624 k( 226) = ( 0.2316995 -0.3811871 -0.7342131), wk = 0.0027624 k( 227) = ( 0.2369654 -0.3898504 -0.7508997), wk = 0.0027624 k( 228) = ( 0.2422313 -0.3985138 -0.7675864), wk = 0.0027624 k( 229) = ( 0.2474972 -0.4071771 -0.7842730), wk = 0.0027624 k( 230) = ( 0.2527631 -0.4158404 -0.8009597), wk = 0.0027624 k( 231) = ( 0.2580290 -0.4245038 -0.8176464), wk = 0.0027624 k( 232) = ( 0.2632949 -0.4331671 -0.8343331), wk = 0.0027624 k( 233) = ( 0.2685608 -0.4418305 -0.8510197), wk = 0.0027624 k( 234) = ( 0.2738267 -0.4504938 -0.8677064), wk = 0.0027624 k( 235) = ( 0.2790925 -0.4591572 -0.8843930), wk = 0.0027624 k( 236) = ( 0.2843584 -0.4678205 -0.9010797), wk = 0.0027624 k( 237) = ( 0.2896243 -0.4764838 -0.9177663), wk = 0.0027624 k( 238) = ( 0.2948902 -0.4851472 -0.9344530), wk = 0.0027624 k( 239) = ( 0.3001561 -0.4938105 -0.9511397), wk = 0.0027624 k( 240) = ( 0.3054220 -0.5024739 -0.9678263), wk = 0.0027624 k( 241) = ( 0.3106879 -0.5111372 -0.9845130), wk = 0.0027624 k( 242) = ( 0.3159538 -0.5198006 -1.0011997), wk = 0.0027624 k( 243) = ( 0.3212197 -0.5284639 -1.0178863), wk = 0.0027624 k( 244) = ( 0.3264856 -0.5371272 -1.0345730), wk = 0.0027624 k( 245) = ( 0.3317515 -0.5457906 -1.0512596), wk = 0.0027624 k( 246) = ( 0.3370174 -0.5544539 -1.0679463), wk = 0.0027624 k( 247) = ( 0.3422833 -0.5631173 -1.0846329), wk = 0.0027624 k( 248) = ( 0.6577167 -0.4230784 -0.9995504), wk = 0.0027624 k( 249) = ( 0.6524595 -0.4043078 -0.9995504), wk = 0.0027624 k( 250) = ( 0.6472022 -0.3855372 -0.9995504), wk = 0.0027624 k( 251) = ( 0.6419450 -0.3667666 -0.9995504), wk = 0.0027624 k( 252) = ( 0.6366878 -0.3479961 -0.9995504), wk = 0.0027624 k( 253) = ( 0.6314306 -0.3292255 -0.9995504), wk = 0.0027624 k( 254) = ( 0.6261733 -0.3104549 -0.9995504), wk = 0.0027624 k( 255) = ( 0.6209161 -0.2916843 -0.9995504), wk = 0.0027624 k( 256) = ( 0.6156589 -0.2729137 -0.9995504), wk = 0.0027624 k( 257) = ( 0.6104017 -0.2541432 -0.9995504), wk = 0.0027624 k( 258) = ( 0.6051445 -0.2353726 -0.9995504), wk = 0.0027624 k( 259) = ( 0.5998872 -0.2166020 -0.9995504), wk = 0.0027624 k( 260) = ( 0.5946300 -0.1978314 -0.9995504), wk = 0.0027624 k( 261) = ( 0.5893728 -0.1790609 -0.9995504), wk = 0.0027624 k( 262) = ( 0.5841156 -0.1602903 -0.9995504), wk = 0.0027624 k( 263) = ( 0.5788583 -0.1415197 -0.9995504), wk = 0.0027624 k( 264) = ( 0.5736011 -0.1227491 -0.9995504), wk = 0.0027624 k( 265) = ( 0.5683439 -0.1039786 -0.9995504), wk = 0.0027624 k( 266) = ( 0.5630867 -0.0852080 -0.9995504), wk = 0.0027624 k( 267) = ( 0.5578294 -0.0664374 -0.9995504), wk = 0.0027624 k( 268) = ( 0.5525722 -0.0476668 -0.9995504), wk = 0.0027624 k( 269) = ( 0.5473150 -0.0288963 -0.9995504), wk = 0.0027624 k( 270) = ( 0.5420578 -0.0101257 -0.9995504), wk = 0.0027624 k( 271) = ( 0.5368006 0.0086449 -0.9995504), wk = 0.0027624 k( 272) = ( 0.5315433 0.0274155 -0.9995504), wk = 0.0027624 k( 273) = ( 0.5262861 0.0461861 -0.9995504), wk = 0.0027624 k( 274) = ( 0.5210289 0.0649566 -0.9995504), wk = 0.0027624 k( 275) = ( 0.5157717 0.0837272 -0.9995504), wk = 0.0027624 k( 276) = ( 0.5105144 0.1024978 -0.9995504), wk = 0.0027624 k( 277) = ( 0.5052572 0.1212684 -0.9995504), wk = 0.0027624 k( 278) = ( 0.5000000 0.1400389 -0.9995504), wk = 0.0027624 k( 279) = ( 0.5000000 0.1400389 -0.9995504), wk = 0.0027624 k( 280) = ( 0.5157717 0.1444562 -0.9910422), wk = 0.0027624 k( 281) = ( 0.5315433 0.1488735 -0.9825339), wk = 0.0027624 k( 282) = ( 0.5473150 0.1532908 -0.9740257), wk = 0.0027624 k( 283) = ( 0.5630867 0.1577081 -0.9655174), wk = 0.0027624 k( 284) = ( 0.5788583 0.1621254 -0.9570092), wk = 0.0027624 k( 285) = ( 0.5946300 0.1665427 -0.9485009), wk = 0.0027624 k( 286) = ( 0.6104017 0.1709600 -0.9399927), wk = 0.0027624 k( 287) = ( 0.6261733 0.1753773 -0.9314844), wk = 0.0027624 k( 288) = ( 0.6419450 0.1797946 -0.9229762), wk = 0.0027624 k( 289) = ( 0.6577167 0.1842119 -0.9144679), wk = 0.0027624 k( 290) = ( 0.6577167 0.1842119 -0.9144679), wk = 0.0027624 k( 291) = ( 0.6546837 0.1833624 -0.8952458), wk = 0.0027624 k( 292) = ( 0.6516507 0.1825129 -0.8760236), wk = 0.0027624 k( 293) = ( 0.6486177 0.1816634 -0.8568015), wk = 0.0027624 k( 294) = ( 0.6455846 0.1808140 -0.8375794), wk = 0.0027624 k( 295) = ( 0.6425516 0.1799645 -0.8183573), wk = 0.0027624 k( 296) = ( 0.6395186 0.1791150 -0.7991352), wk = 0.0027624 k( 297) = ( 0.6364856 0.1782655 -0.7799130), wk = 0.0027624 k( 298) = ( 0.6334526 0.1774160 -0.7606909), wk = 0.0027624 k( 299) = ( 0.6304196 0.1765666 -0.7414688), wk = 0.0027624 k( 300) = ( 0.6273865 0.1757171 -0.7222467), wk = 0.0027624 k( 301) = ( 0.6243535 0.1748676 -0.7030245), wk = 0.0027624 k( 302) = ( 0.6213205 0.1740181 -0.6838024), wk = 0.0027624 k( 303) = ( 0.6182875 0.1731687 -0.6645803), wk = 0.0027624 k( 304) = ( 0.6152545 0.1723192 -0.6453582), wk = 0.0027624 k( 305) = ( 0.6122215 0.1714697 -0.6261361), wk = 0.0027624 k( 306) = ( 0.6091885 0.1706202 -0.6069139), wk = 0.0027624 k( 307) = ( 0.6061555 0.1697707 -0.5876918), wk = 0.0027624 k( 308) = ( 0.6031224 0.1689213 -0.5684697), wk = 0.0027624 k( 309) = ( 0.6000894 0.1680718 -0.5492476), wk = 0.0027624 k( 310) = ( 0.5970564 0.1672223 -0.5300254), wk = 0.0027624 k( 311) = ( 0.5940234 0.1663728 -0.5108033), wk = 0.0027624 k( 312) = ( 0.5909904 0.1655233 -0.4915812), wk = 0.0027624 k( 313) = ( 0.5879574 0.1646739 -0.4723591), wk = 0.0027624 k( 314) = ( 0.5849244 0.1638244 -0.4531369), wk = 0.0027624 k( 315) = ( 0.5818914 0.1629749 -0.4339148), wk = 0.0027624 k( 316) = ( 0.5788583 0.1621254 -0.4146927), wk = 0.0027624 k( 317) = ( 0.5758253 0.1612759 -0.3954706), wk = 0.0027624 k( 318) = ( 0.5727923 0.1604265 -0.3762484), wk = 0.0027624 k( 319) = ( 0.5697593 0.1595770 -0.3570263), wk = 0.0027624 k( 320) = ( 0.5667263 0.1587275 -0.3378042), wk = 0.0027624 k( 321) = ( 0.5636933 0.1578780 -0.3185821), wk = 0.0027624 k( 322) = ( 0.5606603 0.1570285 -0.2993599), wk = 0.0027624 k( 323) = ( 0.5576273 0.1561791 -0.2801378), wk = 0.0027624 k( 324) = ( 0.5545942 0.1553296 -0.2609157), wk = 0.0027624 k( 325) = ( 0.5515612 0.1544801 -0.2416936), wk = 0.0027624 k( 326) = ( 0.5485282 0.1536306 -0.2224714), wk = 0.0027624 k( 327) = ( 0.5454952 0.1527811 -0.2032493), wk = 0.0027624 k( 328) = ( 0.5424622 0.1519317 -0.1840272), wk = 0.0027624 k( 329) = ( 0.5394292 0.1510822 -0.1648051), wk = 0.0027624 k( 330) = ( 0.5363962 0.1502327 -0.1455830), wk = 0.0027624 k( 331) = ( 0.5333632 0.1493832 -0.1263608), wk = 0.0027624 k( 332) = ( 0.5303301 0.1485337 -0.1071387), wk = 0.0027624 k( 333) = ( 0.5272971 0.1476843 -0.0879166), wk = 0.0027624 k( 334) = ( 0.5242641 0.1468348 -0.0686945), wk = 0.0027624 k( 335) = ( 0.5212311 0.1459853 -0.0494723), wk = 0.0027624 k( 336) = ( 0.5181981 0.1451358 -0.0302502), wk = 0.0027624 k( 337) = ( 0.5151651 0.1442863 -0.0110281), wk = 0.0027624 k( 338) = ( 0.5121320 0.1434369 0.0081940), wk = 0.0027624 k( 339) = ( 0.5090990 0.1425874 0.0274162), wk = 0.0027624 k( 340) = ( 0.5060660 0.1417379 0.0466383), wk = 0.0027624 k( 341) = ( 0.5030330 0.1408884 0.0658604), wk = 0.0027624 k( 342) = ( 0.5000000 0.1400389 0.0850825), wk = 0.0027624 k( 343) = ( 0.5000000 -0.8225894 -0.4997752), wk = 0.0027624 k( 344) = ( 0.5166018 -0.8152190 -0.4952972), wk = 0.0027624 k( 345) = ( 0.5332035 -0.8078485 -0.4908192), wk = 0.0027624 k( 346) = ( 0.5498053 -0.8004780 -0.4863411), wk = 0.0027624 k( 347) = ( 0.5664070 -0.7931076 -0.4818631), wk = 0.0027624 k( 348) = ( 0.5830088 -0.7857371 -0.4773851), wk = 0.0027624 k( 349) = ( 0.5996105 -0.7783666 -0.4729070), wk = 0.0027624 k( 350) = ( 0.6162123 -0.7709961 -0.4684290), wk = 0.0027624 k( 351) = ( 0.6328141 -0.7636257 -0.4639510), wk = 0.0027624 k( 352) = ( 0.6494158 -0.7562552 -0.4594730), wk = 0.0027624 k( 353) = ( 0.6660176 -0.7488847 -0.4549949), wk = 0.0027624 k( 354) = ( 0.6826193 -0.7415143 -0.4505169), wk = 0.0027624 k( 355) = ( 0.6992211 -0.7341438 -0.4460389), wk = 0.0027624 k( 356) = ( 0.7158228 -0.7267733 -0.4415608), wk = 0.0027624 k( 357) = ( 0.7324246 -0.7194028 -0.4370828), wk = 0.0027624 k( 358) = ( 0.7490263 -0.7120324 -0.4326048), wk = 0.0027624 k( 359) = ( 0.7656281 -0.7046619 -0.4281268), wk = 0.0027624 k( 360) = ( 0.7822299 -0.6972914 -0.4236487), wk = 0.0027624 k( 361) = ( 0.7988316 -0.6899210 -0.4191707), wk = 0.0027624 k( 362) = ( 0.8154334 -0.6825505 -0.4146927), wk = 0.0027624 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 2) = ( 0.0090909 -0.0000000 -0.0000000), wk = 0.0027624 k( 3) = ( 0.0181818 -0.0000000 -0.0000000), wk = 0.0027624 k( 4) = ( 0.0272727 -0.0000000 -0.0000000), wk = 0.0027624 k( 5) = ( 0.0363636 -0.0000000 -0.0000000), wk = 0.0027624 k( 6) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0027624 k( 7) = ( 0.0545455 -0.0000000 -0.0000000), wk = 0.0027624 k( 8) = ( 0.0636364 -0.0000000 -0.0000000), wk = 0.0027624 k( 9) = ( 0.0727273 -0.0000000 -0.0000000), wk = 0.0027624 k( 10) = ( 0.0818182 -0.0000000 -0.0000000), wk = 0.0027624 k( 11) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0027624 k( 12) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0027624 k( 13) = ( 0.1090909 -0.0000000 -0.0000000), wk = 0.0027624 k( 14) = ( 0.1181818 -0.0000000 -0.0000000), wk = 0.0027624 k( 15) = ( 0.1272727 -0.0000000 -0.0000000), wk = 0.0027624 k( 16) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0027624 k( 17) = ( 0.1454545 -0.0000000 -0.0000000), wk = 0.0027624 k( 18) = ( 0.1545455 -0.0000000 -0.0000000), wk = 0.0027624 k( 19) = ( 0.1636364 -0.0000000 -0.0000000), wk = 0.0027624 k( 20) = ( 0.1727273 -0.0000000 -0.0000000), wk = 0.0027624 k( 21) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0027624 k( 22) = ( 0.1909091 -0.0000000 -0.0000000), wk = 0.0027624 k( 23) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0027624 k( 24) = ( 0.2090909 -0.0000000 -0.0000000), wk = 0.0027624 k( 25) = ( 0.2181818 -0.0000000 -0.0000000), wk = 0.0027624 k( 26) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0027624 k( 27) = ( 0.2363636 -0.0000000 -0.0000000), wk = 0.0027624 k( 28) = ( 0.2454545 -0.0000000 -0.0000000), wk = 0.0027624 k( 29) = ( 0.2545455 -0.0000000 -0.0000000), wk = 0.0027624 k( 30) = ( 0.2636364 -0.0000000 -0.0000000), wk = 0.0027624 k( 31) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0027624 k( 32) = ( 0.2818182 0.0000000 -0.0000000), wk = 0.0027624 k( 33) = ( 0.2909091 -0.0000000 -0.0000000), wk = 0.0027624 k( 34) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0027624 k( 35) = ( 0.3090909 -0.0000000 -0.0000000), wk = 0.0027624 k( 36) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0027624 k( 37) = ( 0.3272727 0.0000000 -0.0000000), wk = 0.0027624 k( 38) = ( 0.3363636 -0.0000000 -0.0000000), wk = 0.0027624 k( 39) = ( 0.3454546 0.0000000 -0.0000000), wk = 0.0027624 k( 40) = ( 0.3545454 -0.0000000 -0.0000000), wk = 0.0027624 k( 41) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0027624 k( 42) = ( 0.3727273 -0.0000000 -0.0000000), wk = 0.0027624 k( 43) = ( 0.3818182 -0.0000000 -0.0000000), wk = 0.0027624 k( 44) = ( 0.3909091 -0.0000000 -0.0000000), wk = 0.0027624 k( 45) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0027624 k( 46) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0027624 k( 47) = ( 0.4181818 -0.0000000 -0.0000000), wk = 0.0027624 k( 48) = ( 0.4272727 -0.0000000 -0.0000000), wk = 0.0027624 k( 49) = ( 0.4363636 -0.0000000 -0.0000000), wk = 0.0027624 k( 50) = ( 0.4454546 -0.0000000 -0.0000000), wk = 0.0027624 k( 51) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0027624 k( 52) = ( 0.4636364 0.0000000 -0.0000000), wk = 0.0027624 k( 53) = ( 0.4727273 -0.0000000 -0.0000000), wk = 0.0027624 k( 54) = ( 0.4818182 -0.0000000 -0.0000000), wk = 0.0027624 k( 55) = ( 0.4909091 -0.0000000 -0.0000000), wk = 0.0027624 k( 56) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027624 k( 57) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027624 k( 58) = ( 0.5000000 0.0052733 -0.0052733), wk = 0.0027624 k( 59) = ( 0.5000000 0.0105467 -0.0105467), wk = 0.0027624 k( 60) = ( 0.5000000 0.0158200 -0.0158200), wk = 0.0027624 k( 61) = ( 0.5000000 0.0210933 -0.0210933), wk = 0.0027624 k( 62) = ( 0.5000000 0.0263667 -0.0263667), wk = 0.0027624 k( 63) = ( 0.5000000 0.0316400 -0.0316400), wk = 0.0027624 k( 64) = ( 0.5000000 0.0369133 -0.0369133), wk = 0.0027624 k( 65) = ( 0.5000000 0.0421867 -0.0421867), wk = 0.0027624 k( 66) = ( 0.5000000 0.0474600 -0.0474600), wk = 0.0027624 k( 67) = ( 0.5000000 0.0527333 -0.0527333), wk = 0.0027624 k( 68) = ( 0.5000000 0.0580066 -0.0580066), wk = 0.0027624 k( 69) = ( 0.5000000 0.0632800 -0.0632800), wk = 0.0027624 k( 70) = ( 0.5000000 0.0685533 -0.0685533), wk = 0.0027624 k( 71) = ( 0.5000000 0.0738266 -0.0738267), wk = 0.0027624 k( 72) = ( 0.5000000 0.0791000 -0.0791000), wk = 0.0027624 k( 73) = ( 0.5000000 0.0843733 -0.0843733), wk = 0.0027624 k( 74) = ( 0.5000000 0.0896466 -0.0896467), wk = 0.0027624 k( 75) = ( 0.5000000 0.0949200 -0.0949200), wk = 0.0027624 k( 76) = ( 0.5000000 0.1001933 -0.1001933), wk = 0.0027624 k( 77) = ( 0.5000000 0.1054666 -0.1054666), wk = 0.0027624 k( 78) = ( 0.5000000 0.1107400 -0.1107400), wk = 0.0027624 k( 79) = ( 0.5000000 0.1160133 -0.1160133), wk = 0.0027624 k( 80) = ( 0.5000000 0.1212866 -0.1212866), wk = 0.0027624 k( 81) = ( 0.5000000 0.1265600 -0.1265600), wk = 0.0027624 k( 82) = ( 0.5000000 0.1318333 -0.1318333), wk = 0.0027624 k( 83) = ( 0.5000000 0.1371066 -0.1371066), wk = 0.0027624 k( 84) = ( 0.5000000 0.1423800 -0.1423800), wk = 0.0027624 k( 85) = ( 0.5000000 0.1476533 -0.1476533), wk = 0.0027624 k( 86) = ( 0.5000000 0.1529266 -0.1529266), wk = 0.0027624 k( 87) = ( 0.5000000 0.1582000 -0.1582000), wk = 0.0027624 k( 88) = ( 0.5000000 0.1634733 -0.1634733), wk = 0.0027624 k( 89) = ( 0.5000000 0.1687466 -0.1687466), wk = 0.0027624 k( 90) = ( 0.5000000 0.1740200 -0.1740200), wk = 0.0027624 k( 91) = ( 0.5000000 0.1792933 -0.1792933), wk = 0.0027624 k( 92) = ( 0.5000000 0.1845666 -0.1845666), wk = 0.0027624 k( 93) = ( 0.8154334 0.5000000 0.1845666), wk = 0.0027624 k( 94) = ( 0.8101761 0.5000000 0.1898238), wk = 0.0027624 k( 95) = ( 0.8049189 0.5000000 0.1950811), wk = 0.0027624 k( 96) = ( 0.7996617 0.5000000 0.2003383), wk = 0.0027624 k( 97) = ( 0.7944045 0.5000000 0.2055955), wk = 0.0027624 k( 98) = ( 0.7891473 0.5000000 0.2108527), wk = 0.0027624 k( 99) = ( 0.7838900 0.5000000 0.2161100), wk = 0.0027624 k( 100) = ( 0.7786328 0.5000000 0.2213672), wk = 0.0027624 k( 101) = ( 0.7733756 0.5000000 0.2266244), wk = 0.0027624 k( 102) = ( 0.7681184 0.5000000 0.2318816), wk = 0.0027624 k( 103) = ( 0.7628611 0.5000000 0.2371389), wk = 0.0027624 k( 104) = ( 0.7576039 0.5000000 0.2423961), wk = 0.0027624 k( 105) = ( 0.7523467 0.5000000 0.2476533), wk = 0.0027624 k( 106) = ( 0.7470895 0.5000000 0.2529105), wk = 0.0027624 k( 107) = ( 0.7418322 0.5000000 0.2581677), wk = 0.0027624 k( 108) = ( 0.7365750 0.5000000 0.2634250), wk = 0.0027624 k( 109) = ( 0.7313178 0.5000000 0.2686822), wk = 0.0027624 k( 110) = ( 0.7260606 0.5000000 0.2739394), wk = 0.0027624 k( 111) = ( 0.7208034 0.5000000 0.2791966), wk = 0.0027624 k( 112) = ( 0.7155461 0.5000000 0.2844539), wk = 0.0027624 k( 113) = ( 0.7102889 0.5000000 0.2897111), wk = 0.0027624 k( 114) = ( 0.7050317 0.5000000 0.2949683), wk = 0.0027624 k( 115) = ( 0.6997745 0.5000000 0.3002255), wk = 0.0027624 k( 116) = ( 0.6945172 0.5000000 0.3054827), wk = 0.0027624 k( 117) = ( 0.6892600 0.5000000 0.3107400), wk = 0.0027624 k( 118) = ( 0.6840028 0.5000000 0.3159972), wk = 0.0027624 k( 119) = ( 0.6787456 0.5000000 0.3212544), wk = 0.0027624 k( 120) = ( 0.6734884 0.5000000 0.3265116), wk = 0.0027624 k( 121) = ( 0.6682311 0.5000000 0.3317689), wk = 0.0027624 k( 122) = ( 0.6629739 0.5000000 0.3370261), wk = 0.0027624 k( 123) = ( 0.6577167 0.5000000 0.3422833), wk = 0.0027624 k( 124) = ( 0.6524595 0.5000000 0.3475405), wk = 0.0027624 k( 125) = ( 0.6472022 0.5000000 0.3527978), wk = 0.0027624 k( 126) = ( 0.6419450 0.5000000 0.3580550), wk = 0.0027624 k( 127) = ( 0.6366878 0.5000000 0.3633122), wk = 0.0027624 k( 128) = ( 0.6314306 0.5000000 0.3685694), wk = 0.0027624 k( 129) = ( 0.6261733 0.5000000 0.3738266), wk = 0.0027624 k( 130) = ( 0.6209161 0.5000000 0.3790839), wk = 0.0027624 k( 131) = ( 0.6156589 0.5000000 0.3843411), wk = 0.0027624 k( 132) = ( 0.6104017 0.5000000 0.3895983), wk = 0.0027624 k( 133) = ( 0.6051445 0.5000000 0.3948555), wk = 0.0027624 k( 134) = ( 0.5998872 0.5000000 0.4001128), wk = 0.0027624 k( 135) = ( 0.5946300 0.5000000 0.4053700), wk = 0.0027624 k( 136) = ( 0.5893728 0.5000000 0.4106272), wk = 0.0027624 k( 137) = ( 0.5841156 0.5000000 0.4158844), wk = 0.0027624 k( 138) = ( 0.5788583 0.5000000 0.4211417), wk = 0.0027624 k( 139) = ( 0.5736011 0.5000000 0.4263989), wk = 0.0027624 k( 140) = ( 0.5683439 0.5000000 0.4316561), wk = 0.0027624 k( 141) = ( 0.5630867 0.5000000 0.4369133), wk = 0.0027624 k( 142) = ( 0.5578294 0.5000000 0.4421705), wk = 0.0027624 k( 143) = ( 0.5525722 0.5000000 0.4474278), wk = 0.0027624 k( 144) = ( 0.5473150 0.5000000 0.4526850), wk = 0.0027624 k( 145) = ( 0.5420578 0.5000000 0.4579422), wk = 0.0027624 k( 146) = ( 0.5368006 0.5000000 0.4631994), wk = 0.0027624 k( 147) = ( 0.5315433 0.5000000 0.4684567), wk = 0.0027624 k( 148) = ( 0.5262861 0.5000000 0.4737139), wk = 0.0027624 k( 149) = ( 0.5210289 0.5000000 0.4789711), wk = 0.0027624 k( 150) = ( 0.5157717 0.5000000 0.4842283), wk = 0.0027624 k( 151) = ( 0.5105144 0.5000000 0.4894855), wk = 0.0027624 k( 152) = ( 0.5052572 0.5000000 0.4947428), wk = 0.0027624 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027624 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027624 k( 155) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0027624 k( 156) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0027624 k( 157) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0027624 k( 158) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0027624 k( 159) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0027624 k( 160) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0027624 k( 161) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0027624 k( 162) = ( 0.3518519 0.3518519 0.3518519), wk = 0.0027624 k( 163) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027624 k( 164) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0027624 k( 165) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0027624 k( 166) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0027624 k( 167) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0027624 k( 168) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0027624 k( 169) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0027624 k( 170) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0027624 k( 171) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0027624 k( 172) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0027624 k( 173) = ( 0.1481482 0.1481482 0.1481481), wk = 0.0027624 k( 174) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0027624 k( 175) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0027624 k( 176) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0027624 k( 177) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0027624 k( 178) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0027624 k( 179) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0027624 k( 180) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0027624 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 183) = ( 0.0052659 -0.0000000 -0.0052659), wk = 0.0027624 k( 184) = ( 0.0105318 -0.0000000 -0.0105318), wk = 0.0027624 k( 185) = ( 0.0157977 -0.0000000 -0.0157977), wk = 0.0027624 k( 186) = ( 0.0210636 0.0000000 -0.0210636), wk = 0.0027624 k( 187) = ( 0.0263295 -0.0000000 -0.0263295), wk = 0.0027624 k( 188) = ( 0.0315954 -0.0000000 -0.0315954), wk = 0.0027624 k( 189) = ( 0.0368613 -0.0000000 -0.0368613), wk = 0.0027624 k( 190) = ( 0.0421272 0.0000000 -0.0421272), wk = 0.0027624 k( 191) = ( 0.0473931 -0.0000000 -0.0473931), wk = 0.0027624 k( 192) = ( 0.0526590 -0.0000000 -0.0526590), wk = 0.0027624 k( 193) = ( 0.0579249 -0.0000000 -0.0579249), wk = 0.0027624 k( 194) = ( 0.0631908 -0.0000000 -0.0631908), wk = 0.0027624 k( 195) = ( 0.0684567 -0.0000000 -0.0684567), wk = 0.0027624 k( 196) = ( 0.0737226 -0.0000000 -0.0737226), wk = 0.0027624 k( 197) = ( 0.0789885 -0.0000000 -0.0789885), wk = 0.0027624 k( 198) = ( 0.0842544 -0.0000000 -0.0842544), wk = 0.0027624 k( 199) = ( 0.0895202 -0.0000000 -0.0895203), wk = 0.0027624 k( 200) = ( 0.0947861 -0.0000000 -0.0947862), wk = 0.0027624 k( 201) = ( 0.1000521 -0.0000000 -0.1000521), wk = 0.0027624 k( 202) = ( 0.1053179 -0.0000000 -0.1053179), wk = 0.0027624 k( 203) = ( 0.1105838 -0.0000000 -0.1105838), wk = 0.0027624 k( 204) = ( 0.1158497 -0.0000000 -0.1158497), wk = 0.0027624 k( 205) = ( 0.1211156 -0.0000000 -0.1211156), wk = 0.0027624 k( 206) = ( 0.1263815 -0.0000000 -0.1263815), wk = 0.0027624 k( 207) = ( 0.1316474 -0.0000000 -0.1316474), wk = 0.0027624 k( 208) = ( 0.1369133 -0.0000000 -0.1369133), wk = 0.0027624 k( 209) = ( 0.1421792 -0.0000000 -0.1421792), wk = 0.0027624 k( 210) = ( 0.1474451 -0.0000000 -0.1474451), wk = 0.0027624 k( 211) = ( 0.1527110 -0.0000000 -0.1527110), wk = 0.0027624 k( 212) = ( 0.1579769 0.0000000 -0.1579769), wk = 0.0027624 k( 213) = ( 0.1632428 -0.0000000 -0.1632428), wk = 0.0027624 k( 214) = ( 0.1685087 -0.0000000 -0.1685087), wk = 0.0027624 k( 215) = ( 0.1737746 -0.0000000 -0.1737746), wk = 0.0027624 k( 216) = ( 0.1790405 -0.0000000 -0.1790405), wk = 0.0027624 k( 217) = ( 0.1843064 -0.0000000 -0.1843064), wk = 0.0027624 k( 218) = ( 0.1895723 -0.0000000 -0.1895723), wk = 0.0027624 k( 219) = ( 0.1948382 -0.0000000 -0.1948382), wk = 0.0027624 k( 220) = ( 0.2001041 -0.0000000 -0.2001041), wk = 0.0027624 k( 221) = ( 0.2053700 -0.0000000 -0.2053700), wk = 0.0027624 k( 222) = ( 0.2106359 -0.0000000 -0.2106359), wk = 0.0027624 k( 223) = ( 0.2159018 -0.0000000 -0.2159018), wk = 0.0027624 k( 224) = ( 0.2211677 -0.0000000 -0.2211677), wk = 0.0027624 k( 225) = ( 0.2264336 -0.0000000 -0.2264336), wk = 0.0027624 k( 226) = ( 0.2316995 -0.0000000 -0.2316995), wk = 0.0027624 k( 227) = ( 0.2369654 -0.0000000 -0.2369654), wk = 0.0027624 k( 228) = ( 0.2422313 -0.0000000 -0.2422313), wk = 0.0027624 k( 229) = ( 0.2474972 -0.0000000 -0.2474972), wk = 0.0027624 k( 230) = ( 0.2527631 -0.0000000 -0.2527631), wk = 0.0027624 k( 231) = ( 0.2580290 -0.0000000 -0.2580290), wk = 0.0027624 k( 232) = ( 0.2632949 -0.0000000 -0.2632949), wk = 0.0027624 k( 233) = ( 0.2685608 -0.0000000 -0.2685608), wk = 0.0027624 k( 234) = ( 0.2738267 -0.0000000 -0.2738267), wk = 0.0027624 k( 235) = ( 0.2790925 -0.0000000 -0.2790926), wk = 0.0027624 k( 236) = ( 0.2843584 -0.0000000 -0.2843584), wk = 0.0027624 k( 237) = ( 0.2896243 -0.0000000 -0.2896243), wk = 0.0027624 k( 238) = ( 0.2948902 -0.0000000 -0.2948902), wk = 0.0027624 k( 239) = ( 0.3001561 -0.0000000 -0.3001561), wk = 0.0027624 k( 240) = ( 0.3054220 -0.0000000 -0.3054220), wk = 0.0027624 k( 241) = ( 0.3106879 -0.0000000 -0.3106879), wk = 0.0027624 k( 242) = ( 0.3159538 -0.0000000 -0.3159538), wk = 0.0027624 k( 243) = ( 0.3212197 -0.0000000 -0.3212197), wk = 0.0027624 k( 244) = ( 0.3264856 -0.0000000 -0.3264856), wk = 0.0027624 k( 245) = ( 0.3317515 -0.0000000 -0.3317515), wk = 0.0027624 k( 246) = ( 0.3370174 -0.0000000 -0.3370174), wk = 0.0027624 k( 247) = ( 0.3422833 -0.0000000 -0.3422833), wk = 0.0027624 k( 248) = ( 0.6577167 0.3422833 -0.0000000), wk = 0.0027624 k( 249) = ( 0.6524595 0.3475405 -0.0000000), wk = 0.0027624 k( 250) = ( 0.6472022 0.3527978 -0.0000000), wk = 0.0027624 k( 251) = ( 0.6419450 0.3580550 -0.0000000), wk = 0.0027624 k( 252) = ( 0.6366878 0.3633122 -0.0000000), wk = 0.0027624 k( 253) = ( 0.6314306 0.3685694 -0.0000000), wk = 0.0027624 k( 254) = ( 0.6261733 0.3738266 -0.0000000), wk = 0.0027624 k( 255) = ( 0.6209161 0.3790839 -0.0000000), wk = 0.0027624 k( 256) = ( 0.6156589 0.3843411 -0.0000000), wk = 0.0027624 k( 257) = ( 0.6104017 0.3895983 -0.0000000), wk = 0.0027624 k( 258) = ( 0.6051445 0.3948555 -0.0000000), wk = 0.0027624 k( 259) = ( 0.5998872 0.4001128 -0.0000000), wk = 0.0027624 k( 260) = ( 0.5946300 0.4053700 -0.0000000), wk = 0.0027624 k( 261) = ( 0.5893728 0.4106272 -0.0000000), wk = 0.0027624 k( 262) = ( 0.5841156 0.4158844 -0.0000000), wk = 0.0027624 k( 263) = ( 0.5788583 0.4211417 -0.0000000), wk = 0.0027624 k( 264) = ( 0.5736011 0.4263989 -0.0000000), wk = 0.0027624 k( 265) = ( 0.5683439 0.4316561 -0.0000000), wk = 0.0027624 k( 266) = ( 0.5630867 0.4369133 -0.0000000), wk = 0.0027624 k( 267) = ( 0.5578294 0.4421705 -0.0000000), wk = 0.0027624 k( 268) = ( 0.5525722 0.4474278 -0.0000000), wk = 0.0027624 k( 269) = ( 0.5473150 0.4526850 -0.0000000), wk = 0.0027624 k( 270) = ( 0.5420578 0.4579422 -0.0000000), wk = 0.0027624 k( 271) = ( 0.5368006 0.4631994 -0.0000000), wk = 0.0027624 k( 272) = ( 0.5315433 0.4684567 -0.0000000), wk = 0.0027624 k( 273) = ( 0.5262861 0.4737139 -0.0000000), wk = 0.0027624 k( 274) = ( 0.5210289 0.4789711 -0.0000000), wk = 0.0027624 k( 275) = ( 0.5157717 0.4842283 -0.0000000), wk = 0.0027624 k( 276) = ( 0.5105144 0.4894855 -0.0000000), wk = 0.0027624 k( 277) = ( 0.5052572 0.4947428 -0.0000000), wk = 0.0027624 k( 278) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027624 k( 279) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027624 k( 280) = ( 0.5157717 0.5157717 0.0184567), wk = 0.0027624 k( 281) = ( 0.5315433 0.5315433 0.0369133), wk = 0.0027624 k( 282) = ( 0.5473150 0.5473150 0.0553700), wk = 0.0027624 k( 283) = ( 0.5630867 0.5630867 0.0738266), wk = 0.0027624 k( 284) = ( 0.5788583 0.5788583 0.0922833), wk = 0.0027624 k( 285) = ( 0.5946300 0.5946300 0.1107400), wk = 0.0027624 k( 286) = ( 0.6104017 0.6104017 0.1291966), wk = 0.0027624 k( 287) = ( 0.6261733 0.6261733 0.1476533), wk = 0.0027624 k( 288) = ( 0.6419450 0.6419450 0.1661100), wk = 0.0027624 k( 289) = ( 0.6577167 0.6577167 0.1845666), wk = 0.0027624 k( 290) = ( 0.6577167 0.6577167 0.1845666), wk = 0.0027624 k( 291) = ( 0.6546837 0.6546837 0.1906326), wk = 0.0027624 k( 292) = ( 0.6516507 0.6516507 0.1966987), wk = 0.0027624 k( 293) = ( 0.6486177 0.6486177 0.2027647), wk = 0.0027624 k( 294) = ( 0.6455846 0.6455846 0.2088307), wk = 0.0027624 k( 295) = ( 0.6425516 0.6425516 0.2148968), wk = 0.0027624 k( 296) = ( 0.6395186 0.6395186 0.2209628), wk = 0.0027624 k( 297) = ( 0.6364856 0.6364856 0.2270288), wk = 0.0027624 k( 298) = ( 0.6334526 0.6334526 0.2330948), wk = 0.0027624 k( 299) = ( 0.6304196 0.6304196 0.2391609), wk = 0.0027624 k( 300) = ( 0.6273865 0.6273865 0.2452269), wk = 0.0027624 k( 301) = ( 0.6243535 0.6243535 0.2512929), wk = 0.0027624 k( 302) = ( 0.6213205 0.6213205 0.2573589), wk = 0.0027624 k( 303) = ( 0.6182875 0.6182875 0.2634250), wk = 0.0027624 k( 304) = ( 0.6152545 0.6152545 0.2694910), wk = 0.0027624 k( 305) = ( 0.6122215 0.6122215 0.2755570), wk = 0.0027624 k( 306) = ( 0.6091885 0.6091885 0.2816230), wk = 0.0027624 k( 307) = ( 0.6061555 0.6061555 0.2876891), wk = 0.0027624 k( 308) = ( 0.6031224 0.6031224 0.2937551), wk = 0.0027624 k( 309) = ( 0.6000894 0.6000894 0.2998211), wk = 0.0027624 k( 310) = ( 0.5970564 0.5970564 0.3058871), wk = 0.0027624 k( 311) = ( 0.5940234 0.5940234 0.3119532), wk = 0.0027624 k( 312) = ( 0.5909904 0.5909904 0.3180192), wk = 0.0027624 k( 313) = ( 0.5879574 0.5879574 0.3240852), wk = 0.0027624 k( 314) = ( 0.5849244 0.5849244 0.3301513), wk = 0.0027624 k( 315) = ( 0.5818914 0.5818914 0.3362173), wk = 0.0027624 k( 316) = ( 0.5788583 0.5788583 0.3422833), wk = 0.0027624 k( 317) = ( 0.5758253 0.5758253 0.3483493), wk = 0.0027624 k( 318) = ( 0.5727923 0.5727923 0.3544154), wk = 0.0027624 k( 319) = ( 0.5697593 0.5697593 0.3604814), wk = 0.0027624 k( 320) = ( 0.5667263 0.5667263 0.3665474), wk = 0.0027624 k( 321) = ( 0.5636933 0.5636933 0.3726134), wk = 0.0027624 k( 322) = ( 0.5606603 0.5606603 0.3786795), wk = 0.0027624 k( 323) = ( 0.5576273 0.5576273 0.3847455), wk = 0.0027624 k( 324) = ( 0.5545942 0.5545942 0.3908115), wk = 0.0027624 k( 325) = ( 0.5515612 0.5515612 0.3968776), wk = 0.0027624 k( 326) = ( 0.5485282 0.5485282 0.4029436), wk = 0.0027624 k( 327) = ( 0.5454952 0.5454952 0.4090096), wk = 0.0027624 k( 328) = ( 0.5424622 0.5424622 0.4150756), wk = 0.0027624 k( 329) = ( 0.5394292 0.5394292 0.4211417), wk = 0.0027624 k( 330) = ( 0.5363962 0.5363962 0.4272077), wk = 0.0027624 k( 331) = ( 0.5333632 0.5333632 0.4332737), wk = 0.0027624 k( 332) = ( 0.5303301 0.5303301 0.4393397), wk = 0.0027624 k( 333) = ( 0.5272971 0.5272971 0.4454058), wk = 0.0027624 k( 334) = ( 0.5242641 0.5242641 0.4514718), wk = 0.0027624 k( 335) = ( 0.5212311 0.5212311 0.4575378), wk = 0.0027624 k( 336) = ( 0.5181981 0.5181981 0.4636038), wk = 0.0027624 k( 337) = ( 0.5151651 0.5151651 0.4696699), wk = 0.0027624 k( 338) = ( 0.5121320 0.5121320 0.4757359), wk = 0.0027624 k( 339) = ( 0.5090990 0.5090990 0.4818019), wk = 0.0027624 k( 340) = ( 0.5060660 0.5060660 0.4878679), wk = 0.0027624 k( 341) = ( 0.5030330 0.5030330 0.4939340), wk = 0.0027624 k( 342) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027624 k( 343) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027624 k( 344) = ( 0.5166018 0.0180149 0.0180149), wk = 0.0027624 k( 345) = ( 0.5332035 0.0360298 0.0360298), wk = 0.0027624 k( 346) = ( 0.5498053 0.0540447 0.0540447), wk = 0.0027624 k( 347) = ( 0.5664070 0.0720596 0.0720596), wk = 0.0027624 k( 348) = ( 0.5830088 0.0900746 0.0900746), wk = 0.0027624 k( 349) = ( 0.5996105 0.1080895 0.1080895), wk = 0.0027624 k( 350) = ( 0.6162123 0.1261044 0.1261044), wk = 0.0027624 k( 351) = ( 0.6328141 0.1441193 0.1441193), wk = 0.0027624 k( 352) = ( 0.6494158 0.1621342 0.1621342), wk = 0.0027624 k( 353) = ( 0.6660176 0.1801491 0.1801491), wk = 0.0027624 k( 354) = ( 0.6826193 0.1981640 0.1981640), wk = 0.0027624 k( 355) = ( 0.6992211 0.2161789 0.2161789), wk = 0.0027624 k( 356) = ( 0.7158228 0.2341938 0.2341938), wk = 0.0027624 k( 357) = ( 0.7324246 0.2522088 0.2522088), wk = 0.0027624 k( 358) = ( 0.7490263 0.2702237 0.2702237), wk = 0.0027624 k( 359) = ( 0.7656281 0.2882386 0.2882386), wk = 0.0027624 k( 360) = ( 0.7822299 0.3062535 0.3062535), wk = 0.0027624 k( 361) = ( 0.7988316 0.3242684 0.3242684), wk = 0.0027624 k( 362) = ( 0.8154334 0.3422833 0.3422833), wk = 0.0027624 Dense grid: 37305 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 17227 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 120, 40) NL pseudopotentials 0.09 Mb ( 60, 96) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1036) G-vector shells 0.01 Mb ( 881) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 120, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 96, 2, 40) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrHfN2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.3 secs Computing kpt #: 7 total cpu time spent up to now is 5.6 secs Computing kpt #: 8 total cpu time spent up to now is 5.9 secs Computing kpt #: 9 total cpu time spent up to now is 6.3 secs Computing kpt #: 10 total cpu time spent up to now is 6.6 secs Computing kpt #: 11 total cpu time spent up to now is 7.0 secs Computing kpt #: 12 total cpu time spent up to now is 7.3 secs Computing kpt #: 13 total cpu time spent up to now is 7.7 secs Computing kpt #: 14 total cpu time spent up to now is 8.0 secs Computing kpt #: 15 total cpu time spent up to now is 8.4 secs Computing kpt #: 16 total cpu time spent up to now is 8.7 secs Computing kpt #: 17 total cpu time spent up to now is 9.1 secs Computing kpt #: 18 total cpu time spent up to now is 9.4 secs Computing kpt #: 19 total cpu time spent up to now is 9.8 secs Computing kpt #: 20 total cpu time spent up to now is 10.2 secs Computing kpt #: 21 total cpu time spent up to now is 10.5 secs Computing kpt #: 22 total cpu time spent up to now is 10.9 secs Computing kpt #: 23 total cpu time spent up to now is 11.2 secs Computing kpt #: 24 total cpu time spent up to now is 11.6 secs Computing kpt #: 25 total cpu time spent up to now is 12.0 secs Computing kpt #: 26 total cpu time spent up to now is 12.3 secs Computing kpt #: 27 total cpu time spent up to now is 12.7 secs Computing kpt #: 28 total cpu time spent up to now is 13.0 secs Computing kpt #: 29 total cpu time spent up to now is 13.4 secs Computing kpt #: 30 total cpu time spent up to now is 13.7 secs Computing kpt #: 31 total cpu time spent up to now is 14.1 secs Computing kpt #: 32 total cpu time spent up to now is 14.4 secs Computing kpt #: 33 total cpu time spent up to now is 14.8 secs Computing kpt #: 34 total cpu time spent up to now is 15.1 secs Computing kpt #: 35 total cpu time spent up to now is 15.5 secs Computing kpt #: 36 total cpu time spent up to now is 15.8 secs Computing kpt #: 37 total cpu time spent up to now is 16.2 secs Computing kpt #: 38 total cpu time spent up to now is 16.5 secs Computing kpt #: 39 total cpu time spent up to now is 16.8 secs Computing kpt #: 40 total cpu time spent up to now is 17.2 secs Computing kpt #: 41 total cpu time spent up to now is 17.5 secs Computing kpt #: 42 total cpu time spent up to now is 17.9 secs Computing kpt #: 43 total cpu time spent up to now is 18.2 secs Computing kpt #: 44 total cpu time spent up to now is 18.5 secs Computing kpt #: 45 total cpu time spent up to now is 18.9 secs Computing kpt #: 46 total cpu time spent up to now is 19.2 secs Computing kpt #: 47 total cpu time spent up to now is 19.6 secs Computing kpt #: 48 total cpu time spent up to now is 19.9 secs Computing kpt #: 49 total cpu time spent up to now is 20.2 secs Computing kpt #: 50 total cpu time spent up to now is 20.5 secs Computing kpt #: 51 total cpu time spent up to now is 20.9 secs Computing kpt #: 52 total cpu time spent up to now is 21.2 secs Computing kpt #: 53 total cpu time spent up to now is 21.5 secs Computing kpt #: 54 total cpu time spent up to now is 21.8 secs Computing kpt #: 55 total cpu time spent up to now is 22.1 secs Computing kpt #: 56 total cpu time spent up to now is 22.5 secs Computing kpt #: 57 total cpu time spent up to now is 22.8 secs Computing kpt #: 58 total cpu time spent up to now is 23.1 secs Computing kpt #: 59 total cpu time spent up to now is 23.4 secs Computing kpt #: 60 total cpu time spent up to now is 23.7 secs Computing kpt #: 61 total cpu time spent up to now is 24.1 secs Computing kpt #: 62 total cpu time spent up to now is 24.4 secs Computing kpt #: 63 total cpu time spent up to now is 24.7 secs Computing kpt #: 64 total cpu time spent up to now is 25.0 secs Computing kpt #: 65 total cpu time spent up to now is 25.3 secs Computing kpt #: 66 total cpu time spent up to now is 25.7 secs Computing kpt #: 67 total cpu time spent up to now is 26.0 secs Computing kpt #: 68 total cpu time spent up to now is 26.3 secs Computing kpt #: 69 total cpu time spent up to now is 26.6 secs Computing kpt #: 70 total cpu time spent up to now is 27.0 secs Computing kpt #: 71 total cpu time spent up to now is 27.3 secs Computing kpt #: 72 total cpu time spent up to now is 27.6 secs Computing kpt #: 73 total cpu time spent up to now is 27.9 secs Computing kpt #: 74 total cpu time spent up to now is 28.3 secs Computing kpt #: 75 total cpu time spent up to now is 28.6 secs Computing kpt #: 76 total cpu time spent up to now is 28.9 secs Computing kpt #: 77 total cpu time spent up to now is 29.2 secs Computing kpt #: 78 total cpu time spent up to now is 29.5 secs Computing kpt #: 79 total cpu time spent up to now is 29.9 secs Computing kpt #: 80 total cpu time spent up to now is 30.2 secs Computing kpt #: 81 total cpu time spent up to now is 30.5 secs Computing kpt #: 82 total cpu time spent up to now is 30.8 secs Computing kpt #: 83 total cpu time spent up to now is 31.2 secs Computing kpt #: 84 total cpu time spent up to now is 31.5 secs Computing kpt #: 85 total cpu time spent up to now is 31.8 secs Computing kpt #: 86 total cpu time spent up to now is 32.2 secs Computing kpt #: 87 total cpu time spent up to now is 32.5 secs Computing kpt #: 88 total cpu time spent up to now is 32.8 secs Computing kpt #: 89 total cpu time spent up to now is 33.2 secs Computing kpt #: 90 total cpu time spent up to now is 33.5 secs Computing kpt #: 91 total cpu time spent up to now is 33.8 secs Computing kpt #: 92 total cpu time spent up to now is 34.2 secs Computing kpt #: 93 total cpu time spent up to now is 34.5 secs Computing kpt #: 94 total cpu time spent up to now is 34.9 secs Computing kpt #: 95 total cpu time spent up to now is 35.2 secs Computing kpt #: 96 total cpu time spent up to now is 35.6 secs Computing kpt #: 97 total cpu time spent up to now is 35.9 secs Computing kpt #: 98 total cpu time spent up to now is 36.3 secs Computing kpt #: 99 total cpu time spent up to now is 36.7 secs Computing kpt #: 100 total cpu time spent up to now is 37.0 secs Computing kpt #: 101 total cpu time spent up to now is 37.4 secs Computing kpt #: 102 total cpu time spent up to now is 37.8 secs Computing kpt #: 103 total cpu time spent up to now is 38.2 secs Computing kpt #: 104 total cpu time spent up to now is 38.5 secs Computing kpt #: 105 total cpu time spent up to now is 38.9 secs Computing kpt #: 106 total cpu time spent up to now is 39.3 secs Computing kpt #: 107 total cpu time spent up to now is 39.6 secs Computing kpt #: 108 total cpu time spent up to now is 40.0 secs Computing kpt #: 109 total cpu time spent up to now is 40.3 secs Computing kpt #: 110 total cpu time spent up to now is 40.7 secs Computing kpt #: 111 total cpu time spent up to now is 41.0 secs Computing kpt #: 112 total cpu time spent up to now is 41.4 secs Computing kpt #: 113 total cpu time spent up to now is 41.8 secs Computing kpt #: 114 total cpu time spent up to now is 42.1 secs Computing kpt #: 115 total cpu time spent up to now is 42.5 secs Computing kpt #: 116 total cpu time spent up to now is 42.8 secs Computing kpt #: 117 total cpu time spent up to now is 43.2 secs Computing kpt #: 118 total cpu time spent up to now is 43.6 secs Computing kpt #: 119 total cpu time spent up to now is 43.9 secs Computing kpt #: 120 total cpu time spent up to now is 44.3 secs Computing kpt #: 121 total cpu time spent up to now is 44.7 secs Computing kpt #: 122 total cpu time spent up to now is 45.0 secs Computing kpt #: 123 total cpu time spent up to now is 45.4 secs Computing kpt #: 124 total cpu time spent up to now is 45.7 secs Computing kpt #: 125 total cpu time spent up to now is 46.1 secs Computing kpt #: 126 total cpu time spent up to now is 46.5 secs Computing kpt #: 127 total cpu time spent up to now is 46.8 secs Computing kpt #: 128 total cpu time spent up to now is 47.2 secs Computing kpt #: 129 total cpu time spent up to now is 47.5 secs Computing kpt #: 130 total cpu time spent up to now is 47.9 secs Computing kpt #: 131 total cpu time spent up to now is 48.2 secs Computing kpt #: 132 total cpu time spent up to now is 48.6 secs Computing kpt #: 133 total cpu time spent up to now is 49.0 secs Computing kpt #: 134 total cpu time spent up to now is 49.3 secs Computing kpt #: 135 total cpu time spent up to now is 49.7 secs Computing kpt #: 136 total cpu time spent up to now is 50.0 secs Computing kpt #: 137 total cpu time spent up to now is 50.4 secs Computing kpt #: 138 total cpu time spent up to now is 50.7 secs Computing kpt #: 139 total cpu time spent up to now is 51.1 secs Computing kpt #: 140 total cpu time spent up to now is 51.4 secs Computing kpt #: 141 total cpu time spent up to now is 51.8 secs Computing kpt #: 142 total cpu time spent up to now is 52.1 secs Computing kpt #: 143 total cpu time spent up to now is 52.5 secs Computing kpt #: 144 total cpu time spent up to now is 52.8 secs Computing kpt #: 145 total cpu time spent up to now is 53.2 secs Computing kpt #: 146 total cpu time spent up to now is 53.5 secs Computing kpt #: 147 total cpu time spent up to now is 53.8 secs Computing kpt #: 148 total cpu time spent up to now is 54.2 secs Computing kpt #: 149 total cpu time spent up to now is 54.5 secs Computing kpt #: 150 total cpu time spent up to now is 54.8 secs Computing kpt #: 151 total cpu time spent up to now is 55.2 secs Computing kpt #: 152 total cpu time spent up to now is 55.5 secs Computing kpt #: 153 total cpu time spent up to now is 55.8 secs Computing kpt #: 154 total cpu time spent up to now is 56.1 secs Computing kpt #: 155 total cpu time spent up to now is 56.4 secs Computing kpt #: 156 total cpu time spent up to now is 56.7 secs Computing kpt #: 157 total cpu time spent up to now is 57.0 secs Computing kpt #: 158 total cpu time spent up to now is 57.4 secs Computing kpt #: 159 total cpu time spent up to now is 57.7 secs Computing kpt #: 160 total cpu time spent up to now is 58.0 secs Computing kpt #: 161 total cpu time spent up to now is 58.3 secs Computing kpt #: 162 total cpu time spent up to now is 58.7 secs Computing kpt #: 163 total cpu time spent up to now is 59.0 secs Computing kpt #: 164 total cpu time spent up to now is 59.3 secs Computing kpt #: 165 total cpu time spent up to now is 59.7 secs Computing kpt #: 166 total cpu time spent up to now is 60.0 secs Computing kpt #: 167 total cpu time spent up to now is 60.3 secs Computing kpt #: 168 total cpu time spent up to now is 60.6 secs Computing kpt #: 169 total cpu time spent up to now is 61.0 secs Computing kpt #: 170 total cpu time spent up to now is 61.3 secs Computing kpt #: 171 total cpu time spent up to now is 61.6 secs Computing kpt #: 172 total cpu time spent up to now is 62.0 secs Computing kpt #: 173 total cpu time spent up to now is 62.3 secs Computing kpt #: 174 total cpu time spent up to now is 62.6 secs Computing kpt #: 175 total cpu time spent up to now is 62.9 secs Computing kpt #: 176 total cpu time spent up to now is 63.3 secs Computing kpt #: 177 total cpu time spent up to now is 63.6 secs Computing kpt #: 178 total cpu time spent up to now is 63.9 secs Computing kpt #: 179 total cpu time spent up to now is 64.2 secs Computing kpt #: 180 total cpu time spent up to now is 64.6 secs Computing kpt #: 181 total cpu time spent up to now is 64.9 secs Computing kpt #: 182 total cpu time spent up to now is 65.2 secs Computing kpt #: 183 total cpu time spent up to now is 65.5 secs Computing kpt #: 184 total cpu time spent up to now is 65.8 secs Computing kpt #: 185 total cpu time spent up to now is 66.2 secs Computing kpt #: 186 total cpu time spent up to now is 66.5 secs Computing kpt #: 187 total cpu time spent up to now is 66.8 secs Computing kpt #: 188 total cpu time spent up to now is 67.1 secs Computing kpt #: 189 total cpu time spent up to now is 67.5 secs Computing kpt #: 190 total cpu time spent up to now is 67.8 secs Computing kpt #: 191 total cpu time spent up to now is 68.1 secs Computing kpt #: 192 total cpu time spent up to now is 68.5 secs Computing kpt #: 193 total cpu time spent up to now is 68.8 secs Computing kpt #: 194 total cpu time spent up to now is 69.2 secs Computing kpt #: 195 total cpu time spent up to now is 69.5 secs Computing kpt #: 196 total cpu time spent up to now is 69.9 secs Computing kpt #: 197 total cpu time spent up to now is 70.3 secs Computing kpt #: 198 total cpu time spent up to now is 70.6 secs Computing kpt #: 199 total cpu time spent up to now is 71.0 secs Computing kpt #: 200 total cpu time spent up to now is 71.4 secs Computing kpt #: 201 total cpu time spent up to now is 71.7 secs Computing kpt #: 202 total cpu time spent up to now is 72.1 secs Computing kpt #: 203 total cpu time spent up to now is 72.5 secs Computing kpt #: 204 total cpu time spent up to now is 72.9 secs Computing kpt #: 205 total cpu time spent up to now is 73.2 secs Computing kpt #: 206 total cpu time spent up to now is 73.6 secs Computing kpt #: 207 total cpu time spent up to now is 74.0 secs Computing kpt #: 208 total cpu time spent up to now is 74.3 secs Computing kpt #: 209 total cpu time spent up to now is 74.7 secs Computing kpt #: 210 total cpu time spent up to now is 75.1 secs Computing kpt #: 211 total cpu time spent up to now is 75.4 secs Computing kpt #: 212 total cpu time spent up to now is 75.8 secs Computing kpt #: 213 total cpu time spent up to now is 76.1 secs Computing kpt #: 214 total cpu time spent up to now is 76.5 secs Computing kpt #: 215 total cpu time spent up to now is 76.8 secs Computing kpt #: 216 total cpu time spent up to now is 77.2 secs Computing kpt #: 217 total cpu time spent up to now is 77.5 secs Computing kpt #: 218 total cpu time spent up to now is 77.9 secs Computing kpt #: 219 total cpu time spent up to now is 78.3 secs Computing kpt #: 220 total cpu time spent up to now is 78.6 secs Computing kpt #: 221 total cpu time spent up to now is 79.0 secs Computing kpt #: 222 total cpu time spent up to now is 79.3 secs Computing kpt #: 223 total cpu time spent up to now is 79.7 secs Computing kpt #: 224 total cpu time spent up to now is 80.1 secs Computing kpt #: 225 total cpu time spent up to now is 80.4 secs Computing kpt #: 226 total cpu time spent up to now is 80.8 secs Computing kpt #: 227 total cpu time spent up to now is 81.2 secs Computing kpt #: 228 total cpu time spent up to now is 81.5 secs Computing kpt #: 229 total cpu time spent up to now is 81.9 secs Computing kpt #: 230 total cpu time spent up to now is 82.3 secs Computing kpt #: 231 total cpu time spent up to now is 82.6 secs Computing kpt #: 232 total cpu time spent up to now is 83.0 secs Computing kpt #: 233 total cpu time spent up to now is 83.3 secs Computing kpt #: 234 total cpu time spent up to now is 83.7 secs Computing kpt #: 235 total cpu time spent up to now is 84.0 secs Computing kpt #: 236 total cpu time spent up to now is 84.4 secs Computing kpt #: 237 total cpu time spent up to now is 84.7 secs Computing kpt #: 238 total cpu time spent up to now is 85.0 secs Computing kpt #: 239 total cpu time spent up to now is 85.4 secs Computing kpt #: 240 total cpu time spent up to now is 85.7 secs Computing kpt #: 241 total cpu time spent up to now is 86.0 secs Computing kpt #: 242 total cpu time spent up to now is 86.4 secs Computing kpt #: 243 total cpu time spent up to now is 86.7 secs Computing kpt #: 244 total cpu time spent up to now is 87.0 secs Computing kpt #: 245 total cpu time spent up to now is 87.4 secs Computing kpt #: 246 total cpu time spent up to now is 87.7 secs Computing kpt #: 247 total cpu time spent up to now is 88.0 secs Computing kpt #: 248 total cpu time spent up to now is 88.4 secs Computing kpt #: 249 total cpu time spent up to now is 88.7 secs Computing kpt #: 250 total cpu time spent up to now is 89.1 secs Computing kpt #: 251 total cpu time spent up to now is 89.5 secs Computing kpt #: 252 total cpu time spent up to now is 89.8 secs Computing kpt #: 253 total cpu time spent up to now is 90.2 secs Computing kpt #: 254 total cpu time spent up to now is 90.5 secs Computing kpt #: 255 total cpu time spent up to now is 90.9 secs Computing kpt #: 256 total cpu time spent up to now is 91.2 secs Computing kpt #: 257 total cpu time spent up to now is 91.6 secs Computing kpt #: 258 total cpu time spent up to now is 91.9 secs Computing kpt #: 259 total cpu time spent up to now is 92.2 secs Computing kpt #: 260 total cpu time spent up to now is 92.6 secs Computing kpt #: 261 total cpu time spent up to now is 92.9 secs Computing kpt #: 262 total cpu time spent up to now is 93.3 secs Computing kpt #: 263 total cpu time spent up to now is 93.6 secs Computing kpt #: 264 total cpu time spent up to now is 93.9 secs Computing kpt #: 265 total cpu time spent up to now is 94.3 secs Computing kpt #: 266 total cpu time spent up to now is 94.6 secs Computing kpt #: 267 total cpu time spent up to now is 94.9 secs Computing kpt #: 268 total cpu time spent up to now is 95.3 secs Computing kpt #: 269 total cpu time spent up to now is 95.6 secs Computing kpt #: 270 total cpu time spent up to now is 95.9 secs Computing kpt #: 271 total cpu time spent up to now is 96.3 secs Computing kpt #: 272 total cpu time spent up to now is 96.6 secs Computing kpt #: 273 total cpu time spent up to now is 97.0 secs Computing kpt #: 274 total cpu time spent up to now is 97.3 secs Computing kpt #: 275 total cpu time spent up to now is 97.6 secs Computing kpt #: 276 total cpu time spent up to now is 98.0 secs Computing kpt #: 277 total cpu time spent up to now is 98.3 secs Computing kpt #: 278 total cpu time spent up to now is 98.7 secs Computing kpt #: 279 total cpu time spent up to now is 99.0 secs Computing kpt #: 280 total cpu time spent up to now is 99.3 secs Computing kpt #: 281 total cpu time spent up to now is 99.7 secs Computing kpt #: 282 total cpu time spent up to now is 100.0 secs Computing kpt #: 283 total cpu time spent up to now is 100.4 secs Computing kpt #: 284 total cpu time spent up to now is 100.7 secs Computing kpt #: 285 total cpu time spent up to now is 101.0 secs Computing kpt #: 286 total cpu time spent up to now is 101.4 secs Computing kpt #: 287 total cpu time spent up to now is 101.7 secs Computing kpt #: 288 total cpu time spent up to now is 102.1 secs Computing kpt #: 289 total cpu time spent up to now is 102.4 secs Computing kpt #: 290 total cpu time spent up to now is 102.8 secs Computing kpt #: 291 total cpu time spent up to now is 103.1 secs Computing kpt #: 292 total cpu time spent up to now is 103.5 secs Computing kpt #: 293 total cpu time spent up to now is 103.8 secs Computing kpt #: 294 total cpu time spent up to now is 104.2 secs Computing kpt #: 295 total cpu time spent up to now is 104.5 secs Computing kpt #: 296 total cpu time spent up to now is 104.9 secs Computing kpt #: 297 total cpu time spent up to now is 105.2 secs Computing kpt #: 298 total cpu time spent up to now is 105.6 secs Computing kpt #: 299 total cpu time spent up to now is 105.9 secs Computing kpt #: 300 total cpu time spent up to now is 106.3 secs Computing kpt #: 301 total cpu time spent up to now is 106.6 secs Computing kpt #: 302 total cpu time spent up to now is 107.0 secs Computing kpt #: 303 total cpu time spent up to now is 107.3 secs Computing kpt #: 304 total cpu time spent up to now is 107.7 secs Computing kpt #: 305 total cpu time spent up to now is 108.0 secs Computing kpt #: 306 total cpu time spent up to now is 108.4 secs Computing kpt #: 307 total cpu time spent up to now is 108.7 secs Computing kpt #: 308 total cpu time spent up to now is 109.1 secs Computing kpt #: 309 total cpu time spent up to now is 109.4 secs Computing kpt #: 310 total cpu time spent up to now is 109.8 secs Computing kpt #: 311 total cpu time spent up to now is 110.1 secs Computing kpt #: 312 total cpu time spent up to now is 110.5 secs Computing kpt #: 313 total cpu time spent up to now is 110.9 secs Computing kpt #: 314 total cpu time spent up to now is 111.2 secs Computing kpt #: 315 total cpu time spent up to now is 111.6 secs Computing kpt #: 316 total cpu time spent up to now is 111.9 secs Computing kpt #: 317 total cpu time spent up to now is 112.3 secs Computing kpt #: 318 total cpu time spent up to now is 112.7 secs Computing kpt #: 319 total cpu time spent up to now is 113.0 secs Computing kpt #: 320 total cpu time spent up to now is 113.4 secs Computing kpt #: 321 total cpu time spent up to now is 113.7 secs Computing kpt #: 322 total cpu time spent up to now is 114.1 secs Computing kpt #: 323 total cpu time spent up to now is 114.5 secs Computing kpt #: 324 total cpu time spent up to now is 114.8 secs Computing kpt #: 325 total cpu time spent up to now is 115.2 secs Computing kpt #: 326 total cpu time spent up to now is 115.5 secs Computing kpt #: 327 total cpu time spent up to now is 115.9 secs Computing kpt #: 328 total cpu time spent up to now is 116.3 secs Computing kpt #: 329 total cpu time spent up to now is 116.6 secs Computing kpt #: 330 total cpu time spent up to now is 117.0 secs Computing kpt #: 331 total cpu time spent up to now is 117.3 secs Computing kpt #: 332 total cpu time spent up to now is 117.7 secs Computing kpt #: 333 total cpu time spent up to now is 118.0 secs Computing kpt #: 334 total cpu time spent up to now is 118.3 secs Computing kpt #: 335 total cpu time spent up to now is 118.7 secs Computing kpt #: 336 total cpu time spent up to now is 119.0 secs Computing kpt #: 337 total cpu time spent up to now is 119.4 secs Computing kpt #: 338 total cpu time spent up to now is 119.7 secs Computing kpt #: 339 total cpu time spent up to now is 120.0 secs Computing kpt #: 340 total cpu time spent up to now is 120.4 secs Computing kpt #: 341 total cpu time spent up to now is 120.7 secs Computing kpt #: 342 total cpu time spent up to now is 121.0 secs Computing kpt #: 343 total cpu time spent up to now is 121.3 secs Computing kpt #: 344 total cpu time spent up to now is 121.6 secs Computing kpt #: 345 total cpu time spent up to now is 121.9 secs Computing kpt #: 346 total cpu time spent up to now is 122.3 secs Computing kpt #: 347 total cpu time spent up to now is 122.6 secs Computing kpt #: 348 total cpu time spent up to now is 122.9 secs Computing kpt #: 349 total cpu time spent up to now is 123.2 secs Computing kpt #: 350 total cpu time spent up to now is 123.5 secs Computing kpt #: 351 total cpu time spent up to now is 123.9 secs Computing kpt #: 352 total cpu time spent up to now is 124.2 secs Computing kpt #: 353 total cpu time spent up to now is 124.5 secs Computing kpt #: 354 total cpu time spent up to now is 124.8 secs Computing kpt #: 355 total cpu time spent up to now is 125.2 secs Computing kpt #: 356 total cpu time spent up to now is 125.5 secs Computing kpt #: 357 total cpu time spent up to now is 125.8 secs Computing kpt #: 358 total cpu time spent up to now is 126.2 secs Computing kpt #: 359 total cpu time spent up to now is 126.5 secs Computing kpt #: 360 total cpu time spent up to now is 126.9 secs Computing kpt #: 361 total cpu time spent up to now is 127.2 secs Computing kpt #: 362 total cpu time spent up to now is 127.6 secs ethr = 3.13E-08, avg # of iterations = 14.8 total cpu time spent up to now is 127.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2137 PWs) bands (ev): -48.6061 -48.6061 -22.8528 -22.8528 -21.2580 -21.2580 -15.2272 -15.2272 -14.9519 -14.9519 -4.1107 -4.1107 -2.9248 -2.9248 -2.3662 -2.3662 -1.2550 -1.2550 1.3052 1.3052 8.0262 8.0262 9.6755 9.6755 9.7351 9.7351 12.2257 12.2257 12.3658 12.3658 12.4519 12.4519 15.0240 15.0240 15.5289 15.5289 15.5890 15.5890 16.1473 16.1473 k = 0.0091-0.0150-0.0091 ( 2147 PWs) bands (ev): -48.6061 -48.6061 -22.8530 -22.8530 -21.2579 -21.2579 -15.2274 -15.2274 -14.9522 -14.9522 -4.1106 -4.1106 -2.9256 -2.9256 -2.3676 -2.3676 -1.2528 -1.2528 1.3040 1.3040 8.0282 8.0282 9.6760 9.6760 9.7357 9.7357 12.2238 12.2238 12.3613 12.3613 12.4471 12.4471 15.0264 15.0264 15.5303 15.5303 15.5908 15.5908 16.1517 16.1517 k = 0.0182-0.0299-0.0182 ( 2143 PWs) bands (ev): -48.6060 -48.6060 -22.8531 -22.8531 -21.2574 -21.2574 -15.2274 -15.2274 -14.9531 -14.9531 -4.1103 -4.1103 -2.9280 -2.9280 -2.3718 -2.3718 -1.2464 -1.2464 1.3004 1.3004 8.0344 8.0344 9.6777 9.6777 9.7376 9.7376 12.2179 12.2179 12.3472 12.3472 12.4338 12.4338 15.0334 15.0334 15.5342 15.5342 15.5966 15.5966 16.1651 16.1651 k = 0.0273-0.0449-0.0273 ( 2143 PWs) bands (ev): -48.6060 -48.6060 -22.8535 -22.8535 -21.2565 -21.2565 -15.2276 -15.2276 -14.9546 -14.9546 -4.1097 -4.1097 -2.9321 -2.9321 -2.3786 -2.3786 -1.2358 -1.2358 1.2945 1.2945 8.0447 8.0447 9.6804 9.6804 9.7408 9.7408 12.2073 12.2073 12.3222 12.3222 12.4147 12.4147 15.0448 15.0448 15.5389 15.5389 15.6077 15.6077 16.1870 16.1870 k = 0.0364-0.0598-0.0363 ( 2134 PWs) bands (ev): -48.6058 -48.6058 -22.8538 -22.8538 -21.2553 -21.2553 -15.2278 -15.2278 -14.9566 -14.9566 -4.1089 -4.1089 -2.9377 -2.9377 -2.3878 -2.3878 -1.2212 -1.2212 1.2862 1.2862 8.0590 8.0590 9.6841 9.6841 9.7452 9.7452 12.1900 12.1900 12.2865 12.2865 12.3928 12.3928 15.0602 15.0602 15.5429 15.5429 15.6255 15.6255 16.2172 16.2172 k = 0.0455-0.0748-0.0454 ( 2135 PWs) bands (ev): -48.6057 -48.6057 -22.8544 -22.8544 -21.2538 -21.2538 -15.2280 -15.2280 -14.9593 -14.9593 -4.1080 -4.1080 -2.9450 -2.9450 -2.3992 -2.3992 -1.2028 -1.2028 1.2757 1.2757 8.0771 8.0771 9.6886 9.6886 9.7509 9.7509 12.1600 12.1600 12.2464 12.2464 12.3694 12.3694 15.0790 15.0790 15.5457 15.5457 15.6503 15.6503 16.2547 16.2547 k = 0.0545-0.0897-0.0545 ( 2138 PWs) bands (ev): -48.6055 -48.6055 -22.8552 -22.8552 -21.2520 -21.2520 -15.2284 -15.2284 -14.9626 -14.9626 -4.1069 -4.1069 -2.9540 -2.9540 -2.4125 -2.4125 -1.1809 -1.1809 1.2630 1.2630 8.0990 8.0990 9.6939 9.6939 9.7579 9.7579 12.1089 12.1089 12.2123 12.2123 12.3445 12.3445 15.1001 15.1001 15.5478 15.5478 15.6818 15.6818 16.2988 16.2988 k = 0.0636-0.1047-0.0636 ( 2137 PWs) bands (ev): -48.6053 -48.6053 -22.8561 -22.8561 -21.2498 -21.2498 -15.2288 -15.2288 -14.9664 -14.9664 -4.1057 -4.1057 -2.9646 -2.9646 -2.4274 -2.4274 -1.1557 -1.1557 1.2482 1.2482 8.1245 8.1245 9.6997 9.6997 9.7662 9.7662 12.0372 12.0372 12.1858 12.1858 12.3177 12.3177 15.1223 15.1223 15.5504 15.5504 15.7195 15.7195 16.3482 16.3482 k = 0.0727-0.1196-0.0727 ( 2136 PWs) bands (ev): -48.6050 -48.6050 -22.8571 -22.8571 -21.2473 -21.2473 -15.2293 -15.2293 -14.9707 -14.9707 -4.1044 -4.1044 -2.9767 -2.9767 -2.4436 -2.4436 -1.1275 -1.1275 1.2314 1.2314 8.1534 8.1534 9.7060 9.7060 9.7758 9.7758 11.9518 11.9518 12.1622 12.1622 12.2889 12.2889 15.1439 15.1439 15.5555 15.5555 15.7626 15.7626 16.4016 16.4016 k = 0.0818-0.1346-0.0818 ( 2133 PWs) bands (ev): -48.6047 -48.6047 -22.8582 -22.8582 -21.2445 -21.2445 -15.2299 -15.2299 -14.9755 -14.9755 -4.1030 -4.1030 -2.9905 -2.9905 -2.4607 -2.4607 -1.0966 -1.0966 1.2128 1.2128 8.1854 8.1854 9.7125 9.7125 9.7867 9.7867 11.8571 11.8571 12.1390 12.1390 12.2583 12.2583 15.1628 15.1628 15.5651 15.5651 15.8106 15.8106 16.4578 16.4578 k = 0.0909-0.1496-0.0909 ( 2137 PWs) bands (ev): -48.6044 -48.6044 -22.8594 -22.8594 -21.2414 -21.2414 -15.2307 -15.2307 -14.9808 -14.9808 -4.1017 -4.1017 -3.0058 -3.0058 -2.4785 -2.4785 -1.0633 -1.0633 1.1924 1.1924 8.2203 8.2203 9.7190 9.7190 9.7990 9.7990 11.7556 11.7556 12.1151 12.1151 12.2260 12.2260 15.1767 15.1767 15.5815 15.5815 15.8630 15.8630 16.5153 16.5153 k = 0.1000-0.1645-0.1000 ( 2135 PWs) bands (ev): -48.6041 -48.6041 -22.8608 -22.8608 -21.2380 -21.2380 -15.2314 -15.2314 -14.9865 -14.9865 -4.1005 -4.1005 -3.0226 -3.0226 -2.4967 -2.4967 -1.0278 -1.0278 1.1705 1.1705 8.2579 8.2579 9.7253 9.7253 9.8125 9.8125 11.6493 11.6493 12.0904 12.0904 12.1923 12.1923 15.1839 15.1839 15.6067 15.6067 15.9193 15.9193 16.5729 16.5729 k = 0.1091-0.1795-0.1090 ( 2137 PWs) bands (ev): -48.6037 -48.6037 -22.8623 -22.8623 -21.2344 -21.2344 -15.2324 -15.2324 -14.9926 -14.9926 -4.0995 -4.0995 -3.0407 -3.0407 -2.5150 -2.5150 -0.9903 -0.9903 1.1470 1.1470 8.2979 8.2979 9.7312 9.7312 9.8272 9.8272 11.5395 11.5395 12.0647 12.0647 12.1577 12.1577 15.1835 15.1835 15.6412 15.6412 15.9790 15.9790 16.6291 16.6291 k = 0.1182-0.1944-0.1181 ( 2139 PWs) bands (ev): -48.6033 -48.6033 -22.8639 -22.8639 -21.2304 -21.2304 -15.2335 -15.2335 -14.9991 -14.9991 -4.0988 -4.0988 -3.0601 -3.0601 -2.5333 -2.5333 -0.9511 -0.9511 1.1223 1.1223 8.3400 8.3400 9.7365 9.7365 9.8431 9.8431 11.4273 11.4273 12.0378 12.0378 12.1226 12.1226 15.1758 15.1758 15.6849 15.6849 16.0417 16.0417 16.6826 16.6826 k = 0.1273-0.2094-0.1272 ( 2143 PWs) bands (ev): -48.6029 -48.6029 -22.8656 -22.8656 -21.2262 -21.2262 -15.2347 -15.2347 -15.0059 -15.0059 -4.0984 -4.0984 -3.0806 -3.0806 -2.5514 -2.5514 -0.9103 -0.9103 1.0964 1.0964 8.3838 8.3838 9.7410 9.7410 9.8600 9.8600 11.3140 11.3140 12.0097 12.0097 12.0876 12.0876 15.1620 15.1620 15.7364 15.7364 16.1069 16.1069 16.7319 16.7319 k = 0.1364-0.2243-0.1363 ( 2143 PWs) bands (ev): -48.6024 -48.6024 -22.8674 -22.8674 -21.2218 -21.2218 -15.2361 -15.2361 -15.0129 -15.0129 -4.0986 -4.0986 -3.1019 -3.1019 -2.5691 -2.5691 -0.8683 -0.8683 1.0694 1.0694 8.4290 8.4290 9.7445 9.7445 9.8779 9.8779 11.2004 11.2004 11.9800 11.9800 12.0532 12.0532 15.1431 15.1431 15.7942 15.7942 16.1743 16.1743 16.7755 16.7755 k = 0.1455-0.2393-0.1454 ( 2146 PWs) bands (ev): -48.6020 -48.6020 -22.8693 -22.8693 -21.2171 -21.2171 -15.2377 -15.2377 -15.0202 -15.0202 -4.0993 -4.0993 -3.1240 -3.1240 -2.5864 -2.5864 -0.8251 -0.8251 1.0416 1.0416 8.4752 8.4752 9.7468 9.7468 9.8966 9.8966 11.0876 11.0876 11.9487 11.9487 12.0201 12.0201 15.1204 15.1204 15.8569 15.8569 16.2432 16.2432 16.8121 16.8121 k = 0.1545-0.2543-0.1545 ( 2145 PWs) bands (ev): -48.6015 -48.6015 -22.8712 -22.8712 -21.2122 -21.2122 -15.2395 -15.2395 -15.0275 -15.0275 -4.1009 -4.1009 -3.1464 -3.1464 -2.6031 -2.6031 -0.7809 -0.7809 1.0131 1.0131 8.5221 8.5221 9.7475 9.7475 9.9160 9.9160 10.9764 10.9764 11.9155 11.9155 11.9887 11.9887 15.0948 15.0948 15.9227 15.9227 16.3134 16.3134 16.8405 16.8405 k = 0.1636-0.2692-0.1636 ( 2145 PWs) bands (ev): -48.6010 -48.6010 -22.8733 -22.8733 -21.2072 -21.2072 -15.2415 -15.2415 -15.0350 -15.0350 -4.1033 -4.1033 -3.1690 -3.1690 -2.6193 -2.6193 -0.7361 -0.7361 0.9839 0.9839 8.5693 8.5693 9.7464 9.7464 9.9360 9.9360 10.8679 10.8679 11.8808 11.8808 11.9590 11.9590 15.0671 15.0671 15.9900 15.9900 16.3843 16.3843 16.8608 16.8608 k = 0.1727-0.2842-0.1726 ( 2141 PWs) bands (ev): -48.6004 -48.6004 -22.8753 -22.8753 -21.2019 -21.2019 -15.2438 -15.2438 -15.0425 -15.0425 -4.1069 -4.1069 -3.1915 -3.1915 -2.6348 -2.6348 -0.6906 -0.6906 0.9544 0.9544 8.6163 8.6163 9.7430 9.7430 9.9563 9.9563 10.7629 10.7629 11.8448 11.8448 11.9309 11.9309 15.0378 15.0378 16.0566 16.0566 16.4553 16.4553 16.8745 16.8745 k = 0.1818-0.2991-0.1817 ( 2142 PWs) bands (ev): -48.5999 -48.5999 -22.8775 -22.8775 -21.1964 -21.1964 -15.2463 -15.2463 -15.0500 -15.0500 -4.1116 -4.1116 -3.2135 -3.2135 -2.6497 -2.6497 -0.6447 -0.6447 0.9245 0.9245 8.6627 8.6627 9.7370 9.7370 9.9768 9.9768 10.6628 10.6628 11.8082 11.8082 11.9040 11.9040 15.0076 15.0076 16.1201 16.1201 16.5257 16.5257 16.8848 16.8848 k = 0.1909-0.3141-0.1908 ( 2141 PWs) bands (ev): -48.5993 -48.5993 -22.8797 -22.8797 -21.1908 -21.1908 -15.2492 -15.2492 -15.0574 -15.0574 -4.1178 -4.1178 -3.2348 -3.2348 -2.6639 -2.6639 -0.5986 -0.5986 0.8944 0.8944 8.7080 8.7080 9.7276 9.7276 9.9973 9.9973 10.5688 10.5688 11.7714 11.7714 11.8782 11.8782 14.9768 14.9768 16.1771 16.1771 16.5945 16.5945 16.8965 16.8965 k = 0.2000-0.3290-0.1999 ( 2143 PWs) bands (ev): -48.5988 -48.5988 -22.8820 -22.8820 -21.1851 -21.1851 -15.2524 -15.2524 -15.0647 -15.0647 -4.1255 -4.1255 -3.2550 -3.2550 -2.6775 -2.6775 -0.5525 -0.5525 0.8642 0.8642 8.7517 8.7517 9.7141 9.7141 10.0176 10.0176 10.4825 10.4825 11.7346 11.7346 11.8530 11.8530 14.9458 14.9458 16.2239 16.2239 16.6610 16.6610 16.9150 16.9150 k = 0.2091-0.3440-0.2090 ( 2141 PWs) bands (ev): -48.5982 -48.5982 -22.8843 -22.8843 -21.1793 -21.1793 -15.2559 -15.2559 -15.0718 -15.0718 -4.1349 -4.1349 -3.2741 -3.2741 -2.6903 -2.6903 -0.5064 -0.5064 0.8342 0.8342 8.7932 8.7932 9.6959 9.6959 10.0372 10.0372 10.4054 10.4054 11.6984 11.6984 11.8282 11.8282 14.9149 14.9149 16.2568 16.2568 16.7245 16.7245 16.9451 16.9451 k = 0.2182-0.3589-0.2181 ( 2145 PWs) bands (ev): -48.5976 -48.5976 -22.8867 -22.8867 -21.1733 -21.1733 -15.2599 -15.2599 -15.0786 -15.0786 -4.1460 -4.1460 -3.2916 -3.2916 -2.7025 -2.7025 -0.4607 -0.4607 0.8043 0.8043 8.8319 8.8319 9.6721 9.6721 10.0556 10.0556 10.3394 10.3394 11.6628 11.6628 11.8037 11.8037 14.8845 14.8845 16.2733 16.2733 16.7857 16.7857 16.9885 16.9885 k = 0.2273-0.3739-0.2272 ( 2149 PWs) bands (ev): -48.5970 -48.5970 -22.8892 -22.8892 -21.1673 -21.1673 -15.2642 -15.2642 -15.0852 -15.0852 -4.1590 -4.1590 -3.3075 -3.3075 -2.7140 -2.7140 -0.4154 -0.4154 0.7747 0.7747 8.8671 8.8671 9.6425 9.6425 10.0722 10.0722 10.2863 10.2863 11.6281 11.6281 11.7791 11.7791 14.8546 14.8546 16.2733 16.2733 16.8459 16.8459 17.0431 17.0431 k = 0.2364-0.3889-0.2363 ( 2147 PWs) bands (ev): -48.5964 -48.5964 -22.8916 -22.8916 -21.1612 -21.1612 -15.2689 -15.2689 -15.0913 -15.0913 -4.1738 -4.1738 -3.3215 -3.3215 -2.7248 -2.7248 -0.3707 -0.3707 0.7455 0.7455 8.8980 8.8980 9.6074 9.6074 10.0858 10.0858 10.2475 10.2475 11.5945 11.5945 11.7543 11.7543 14.8257 14.8257 16.2591 16.2591 16.9063 16.9063 17.1049 17.1049 k = 0.2455-0.4038-0.2453 ( 2158 PWs) bands (ev): -48.5958 -48.5958 -22.8941 -22.8941 -21.1551 -21.1551 -15.2741 -15.2741 -15.0971 -15.0971 -4.1904 -4.1904 -3.3338 -3.3338 -2.7349 -2.7349 -0.3267 -0.3267 0.7168 0.7168 8.9236 8.9236 9.5683 9.5683 10.0951 10.0951 10.2241 10.2241 11.5621 11.5621 11.7291 11.7291 14.7979 14.7979 16.2334 16.2334 16.9668 16.9668 17.1695 17.1695 k = 0.2545-0.4188-0.2544 ( 2157 PWs) bands (ev): -48.5952 -48.5952 -22.8965 -22.8965 -21.1489 -21.1489 -15.2796 -15.2796 -15.1025 -15.1025 -4.2087 -4.2087 -3.3442 -3.3442 -2.7442 -2.7442 -0.2837 -0.2837 0.6887 0.6887 8.9429 8.9429 9.5274 9.5274 10.0998 10.0998 10.2151 10.2151 11.5311 11.5311 11.7033 11.7033 14.7713 14.7713 16.1991 16.1991 17.0265 17.0265 17.2338 17.2338 k = 0.2636-0.4337-0.2635 ( 2157 PWs) bands (ev): -48.5946 -48.5946 -22.8990 -22.8990 -21.1428 -21.1428 -15.2854 -15.2854 -15.1074 -15.1074 -4.2286 -4.2286 -3.3527 -3.3527 -2.7529 -2.7529 -0.2418 -0.2418 0.6613 0.6613 8.9548 8.9548 9.4872 9.4872 10.1018 10.1018 10.2170 10.2170 11.5014 11.5014 11.6768 11.6768 14.7462 14.7462 16.1583 16.1583 17.0846 17.0846 17.2957 17.2957 k = 0.2727-0.4487-0.2726 ( 2159 PWs) bands (ev): -48.5940 -48.5940 -22.9014 -22.9014 -21.1367 -21.1367 -15.2916 -15.2916 -15.1120 -15.1120 -4.2500 -4.2500 -3.3595 -3.3595 -2.7608 -2.7608 -0.2011 -0.2011 0.6347 0.6347 8.9581 8.9581 9.4506 9.4506 10.1042 10.1042 10.2254 10.2254 11.4732 11.4732 11.6493 11.6493 14.7227 14.7227 16.1128 16.1128 17.1402 17.1402 17.3542 17.3542 k = 0.2818-0.4636-0.2817 ( 2160 PWs) bands (ev): -48.5934 -48.5934 -22.9038 -22.9038 -21.1306 -21.1306 -15.2981 -15.2981 -15.1161 -15.1161 -4.2726 -4.2726 -3.3648 -3.3648 -2.7680 -2.7680 -0.1618 -0.1618 0.6090 0.6090 8.9520 8.9520 9.4197 9.4197 10.1088 10.1088 10.2368 10.2368 11.4465 11.4465 11.6207 11.6207 14.7010 14.7010 16.0638 16.0638 17.1927 17.1927 17.4092 17.4092 k = 0.2909-0.4786-0.2908 ( 2160 PWs) bands (ev): -48.5928 -48.5928 -22.9062 -22.9062 -21.1245 -21.1245 -15.3047 -15.3047 -15.1198 -15.1198 -4.2962 -4.2962 -3.3685 -3.3685 -2.7744 -2.7744 -0.1240 -0.1240 0.5841 0.5841 8.9367 8.9367 9.3958 9.3958 10.1163 10.1163 10.2494 10.2494 11.4213 11.4213 11.5910 11.5910 14.6811 14.6811 16.0123 16.0123 17.2416 17.2416 17.4615 17.4615 k = 0.3000-0.4936-0.2999 ( 2166 PWs) bands (ev): -48.5922 -48.5922 -22.9086 -22.9086 -21.1186 -21.1186 -15.3117 -15.3117 -15.1231 -15.1231 -4.3207 -4.3207 -3.3710 -3.3710 -2.7800 -2.7800 -0.0878 -0.0878 0.5603 0.5603 8.9133 8.9133 9.3789 9.3789 10.1267 10.1267 10.2622 10.2622 11.3975 11.3975 11.5602 11.5602 14.6631 14.6631 15.9588 15.9588 17.2864 17.2864 17.5120 17.5120 k = 0.3091-0.5085-0.3090 ( 2168 PWs) bands (ev): -48.5916 -48.5916 -22.9110 -22.9110 -21.1127 -21.1127 -15.3187 -15.3187 -15.1261 -15.1261 -4.3456 -4.3456 -3.3725 -3.3725 -2.7849 -2.7849 -0.0534 -0.0534 0.5376 0.5376 8.8835 8.8835 9.3680 9.3680 10.1395 10.1395 10.2747 10.2747 11.3751 11.3751 11.5283 11.5283 14.6471 14.6471 15.9040 15.9040 17.3271 17.3271 17.5614 17.5614 k = 0.3182-0.5235-0.3180 ( 2173 PWs) bands (ev): -48.5911 -48.5911 -22.9133 -22.9133 -21.1070 -21.1070 -15.3258 -15.3258 -15.1287 -15.1287 -4.3709 -4.3709 -3.3730 -3.3730 -2.7891 -2.7891 -0.0208 -0.0208 0.5159 0.5159 8.8496 8.8496 9.3618 9.3618 10.1543 10.1543 10.2866 10.2866 11.3537 11.3537 11.4956 11.4956 14.6332 14.6332 15.8484 15.8484 17.3640 17.3640 17.6105 17.6105 k = 0.3273-0.5384-0.3271 ( 2172 PWs) bands (ev): -48.5905 -48.5905 -22.9155 -22.9155 -21.1014 -21.1014 -15.3329 -15.3329 -15.1311 -15.1311 -4.3963 -4.3963 -3.3727 -3.3727 -2.7925 -2.7925 0.0098 0.0098 0.4955 0.4955 8.8134 8.8134 9.3590 9.3590 10.1706 10.1706 10.2978 10.2978 11.3329 11.3329 11.4623 11.4623 14.6213 14.6213 15.7923 15.7923 17.3974 17.3974 17.6594 17.6594 k = 0.3364-0.5534-0.3362 ( 2169 PWs) bands (ev): -48.5900 -48.5900 -22.9176 -22.9176 -21.0960 -21.0960 -15.3399 -15.3399 -15.1331 -15.1331 -4.4215 -4.4215 -3.3719 -3.3719 -2.7952 -2.7952 0.0384 0.0384 0.4764 0.4764 8.7766 8.7766 9.3587 9.3587 10.1879 10.1879 10.3082 10.3082 11.3119 11.3119 11.4294 11.4294 14.6115 14.6115 15.7362 15.7362 17.4278 17.4278 17.7084 17.7084 k = 0.3455-0.5683-0.3453 ( 2167 PWs) bands (ev): -48.5895 -48.5895 -22.9196 -22.9196 -21.0907 -21.0907 -15.3468 -15.3468 -15.1349 -15.1349 -4.4465 -4.4465 -3.3706 -3.3706 -2.7972 -2.7972 0.0649 0.0649 0.4586 0.4586 8.7402 8.7402 9.3602 9.3602 10.2057 10.2057 10.3180 10.3180 11.2894 11.2894 11.3981 11.3981 14.6038 14.6038 15.6802 15.6802 17.4561 17.4561 17.7571 17.7571 k = 0.3545-0.5833-0.3544 ( 2168 PWs) bands (ev): -48.5890 -48.5890 -22.9216 -22.9216 -21.0856 -21.0856 -15.3536 -15.3536 -15.1365 -15.1365 -4.4709 -4.4709 -3.3691 -3.3691 -2.7985 -2.7985 0.0892 0.0892 0.4421 0.4421 8.7052 8.7052 9.3631 9.3631 10.2235 10.2235 10.3273 10.3273 11.2639 11.2639 11.3700 11.3700 14.5981 14.5981 15.6246 15.6246 17.4828 17.4828 17.8055 17.8055 k = 0.3636-0.5982-0.3635 ( 2170 PWs) bands (ev): -48.5885 -48.5885 -22.9235 -22.9235 -21.0808 -21.0808 -15.3602 -15.3602 -15.1379 -15.1379 -4.4946 -4.4946 -3.3674 -3.3674 -2.7992 -2.7992 0.1113 0.1113 0.4271 0.4271 8.6719 8.6719 9.3670 9.3670 10.2409 10.2409 10.3365 10.3365 11.2338 11.2338 11.3467 11.3467 14.5945 14.5945 15.5697 15.5697 17.5084 17.5084 17.8532 17.8532 k = 0.3727-0.6132-0.3726 ( 2173 PWs) bands (ev): -48.5881 -48.5881 -22.9254 -22.9254 -21.0762 -21.0762 -15.3666 -15.3666 -15.1392 -15.1392 -4.5175 -4.5175 -3.3655 -3.3655 -2.7993 -2.7993 0.1311 0.1311 0.4136 0.4136 8.6409 8.6409 9.3720 9.3720 10.2571 10.2571 10.3459 10.3459 11.1988 11.1988 11.3285 11.3285 14.5929 14.5929 15.5158 15.5158 17.5336 17.5336 17.9001 17.9001 k = 0.3818-0.6282-0.3816 ( 2176 PWs) bands (ev): -48.5877 -48.5877 -22.9271 -22.9271 -21.0718 -21.0718 -15.3728 -15.3728 -15.1402 -15.1402 -4.5394 -4.5394 -3.3637 -3.3637 -2.7990 -2.7990 0.1487 0.1487 0.4016 0.4016 8.6122 8.6122 9.3779 9.3779 10.2716 10.2716 10.3562 10.3562 11.1598 11.1598 11.3147 11.3147 14.5932 14.5932 15.4630 15.4630 17.5584 17.5584 17.9458 17.9458 k = 0.3909-0.6431-0.3907 ( 2176 PWs) bands (ev): -48.5873 -48.5873 -22.9288 -22.9288 -21.0677 -21.0677 -15.3786 -15.3786 -15.1412 -15.1412 -4.5601 -4.5601 -3.3619 -3.3619 -2.7982 -2.7982 0.1640 0.1640 0.3911 0.3911 8.5861 8.5861 9.3846 9.3846 10.2838 10.2838 10.3677 10.3677 11.1180 11.1180 11.3042 11.3042 14.5955 14.5955 15.4115 15.4115 17.5833 17.5833 17.9900 17.9900 k = 0.4000-0.6581-0.3998 ( 2176 PWs) bands (ev): -48.5869 -48.5869 -22.9303 -22.9303 -21.0638 -21.0638 -15.3840 -15.3840 -15.1419 -15.1419 -4.5796 -4.5796 -3.3602 -3.3602 -2.7970 -2.7970 0.1771 0.1771 0.3822 0.3822 8.5624 8.5624 9.3921 9.3921 10.2936 10.2936 10.3809 10.3809 11.0745 11.0745 11.2961 11.2961 14.5995 14.5995 15.3616 15.3616 17.6082 17.6082 18.0325 18.0325 k = 0.4091-0.6730-0.4089 ( 2171 PWs) bands (ev): -48.5865 -48.5865 -22.9316 -22.9316 -21.0602 -21.0602 -15.3890 -15.3890 -15.1426 -15.1426 -4.5978 -4.5978 -3.3586 -3.3586 -2.7956 -2.7956 0.1880 0.1880 0.3749 0.3749 8.5412 8.5412 9.4001 9.4001 10.3010 10.3010 10.3958 10.3958 11.0299 11.0299 11.2899 11.2899 14.6053 14.6053 15.3136 15.3136 17.6331 17.6331 18.0729 18.0729 k = 0.4182-0.6880-0.4180 ( 2173 PWs) bands (ev): -48.5862 -48.5862 -22.9329 -22.9329 -21.0570 -21.0570 -15.3937 -15.3937 -15.1432 -15.1432 -4.6145 -4.6145 -3.3572 -3.3572 -2.7940 -2.7940 0.1968 0.1968 0.3691 0.3691 8.5225 8.5225 9.4087 9.4087 10.3063 10.3063 10.4121 10.4121 10.9849 10.9849 11.2850 11.2850 14.6128 14.6128 15.2675 15.2675 17.6577 17.6577 18.1109 18.1109 k = 0.4273-0.7029-0.4271 ( 2171 PWs) bands (ev): -48.5859 -48.5859 -22.9340 -22.9340 -21.0540 -21.0540 -15.3979 -15.3979 -15.1437 -15.1437 -4.6296 -4.6296 -3.3560 -3.3560 -2.7923 -2.7923 0.2037 0.2037 0.3646 0.3646 8.5061 8.5061 9.4175 9.4175 10.3100 10.3100 10.4297 10.4297 10.9402 10.9402 11.2813 11.2813 14.6216 14.6216 15.2237 15.2237 17.6817 17.6817 18.1462 18.1462 k = 0.4364-0.7179-0.4362 ( 2169 PWs) bands (ev): -48.5857 -48.5857 -22.9350 -22.9350 -21.0514 -21.0514 -15.4017 -15.4017 -15.1441 -15.1441 -4.6432 -4.6432 -3.3548 -3.3548 -2.7906 -2.7906 0.2090 0.2090 0.3614 0.3614 8.4919 8.4919 9.4263 9.4263 10.3125 10.3125 10.4484 10.4484 10.8961 10.8961 11.2784 11.2784 14.6318 14.6318 15.1826 15.1826 17.7048 17.7048 18.1784 18.1784 k = 0.4455-0.7329-0.4453 ( 2167 PWs) bands (ev): -48.5855 -48.5855 -22.9359 -22.9359 -21.0491 -21.0491 -15.4050 -15.4050 -15.1444 -15.1444 -4.6550 -4.6550 -3.3539 -3.3539 -2.7890 -2.7890 0.2128 0.2128 0.3592 0.3592 8.4799 8.4799 9.4349 9.4349 10.3141 10.3141 10.4680 10.4680 10.8531 10.8531 11.2763 11.2763 14.6428 14.6428 15.1445 15.1445 17.7263 17.7263 18.2072 18.2072 k = 0.4545-0.7478-0.4543 ( 2165 PWs) bands (ev): -48.5853 -48.5853 -22.9366 -22.9366 -21.0471 -21.0471 -15.4078 -15.4078 -15.1447 -15.1447 -4.6652 -4.6652 -3.3531 -3.3531 -2.7874 -2.7874 0.2155 0.2155 0.3579 0.3579 8.4699 8.4699 9.4430 9.4430 10.3152 10.3152 10.4886 10.4886 10.8117 10.8117 11.2747 11.2747 14.6543 14.6543 15.1099 15.1099 17.7458 17.7458 18.2323 18.2323 k = 0.4636-0.7628-0.4634 ( 2166 PWs) bands (ev): -48.5851 -48.5851 -22.9373 -22.9373 -21.0455 -21.0455 -15.4102 -15.4102 -15.1449 -15.1449 -4.6735 -4.6735 -3.3525 -3.3525 -2.7861 -2.7861 0.2173 0.2173 0.3570 0.3570 8.4619 8.4619 9.4501 9.4501 10.3158 10.3158 10.5102 10.5102 10.7723 10.7723 11.2735 11.2735 14.6657 14.6657 15.0795 15.0795 17.7628 17.7628 18.2533 18.2533 k = 0.4727-0.7777-0.4725 ( 2154 PWs) bands (ev): -48.5850 -48.5850 -22.9376 -22.9376 -21.0443 -21.0443 -15.4119 -15.4119 -15.1450 -15.1450 -4.6800 -4.6800 -3.3520 -3.3520 -2.7849 -2.7849 0.2184 0.2184 0.3566 0.3566 8.4557 8.4557 9.4561 9.4561 10.3162 10.3162 10.5325 10.5325 10.7356 10.7356 11.2727 11.2727 14.6763 14.6763 15.0541 15.0541 17.7766 17.7766 18.2700 18.2700 k = 0.4818-0.7927-0.4816 ( 2153 PWs) bands (ev): -48.5849 -48.5849 -22.9380 -22.9380 -21.0434 -21.0434 -15.4132 -15.4132 -15.1452 -15.1452 -4.6847 -4.6847 -3.3517 -3.3517 -2.7841 -2.7841 0.2191 0.2191 0.3564 0.3564 8.4514 8.4514 9.4606 9.4606 10.3164 10.3164 10.5549 10.5549 10.7025 10.7025 11.2721 11.2721 14.6850 14.6850 15.0348 15.0348 17.7869 17.7869 18.2821 18.2821 k = 0.4909-0.8076-0.4907 ( 2156 PWs) bands (ev): -48.5848 -48.5848 -22.9382 -22.9382 -21.0428 -21.0428 -15.4140 -15.4140 -15.1452 -15.1452 -4.6876 -4.6876 -3.3515 -3.3515 -2.7836 -2.7836 0.2194 0.2194 0.3564 0.3564 8.4488 8.4488 9.4634 9.4634 10.3165 10.3165 10.5751 10.5751 10.6759 10.6759 11.2718 11.2718 14.6908 14.6908 15.0226 15.0226 17.7932 17.7932 18.2894 18.2894 k = 0.5000-0.8226-0.4998 ( 2156 PWs) bands (ev): -48.5848 -48.5848 -22.9383 -22.9383 -21.0426 -21.0426 -15.4142 -15.4142 -15.1453 -15.1453 -4.6885 -4.6885 -3.3514 -3.3514 -2.7834 -2.7834 0.2195 0.2195 0.3563 0.3563 8.4479 8.4479 9.4644 9.4644 10.3165 10.3165 10.5847 10.5847 10.6641 10.6641 11.2717 11.2717 14.6929 14.6929 15.0185 15.0185 17.7953 17.7953 18.2919 18.2919 k = 0.5000-0.8226-0.4998 ( 2156 PWs) bands (ev): -48.5848 -48.5848 -22.9383 -22.9383 -21.0426 -21.0426 -15.4142 -15.4142 -15.1453 -15.1453 -4.6885 -4.6885 -3.3514 -3.3514 -2.7834 -2.7834 0.2195 0.2195 0.3563 0.3563 8.4479 8.4479 9.4644 9.4644 10.3165 10.3165 10.5847 10.5847 10.6641 10.6641 11.2717 11.2717 14.6929 14.6929 15.0185 15.0185 17.7953 17.7953 18.2919 18.2919 k = 0.5000-0.8124-0.5165 ( 2158 PWs) bands (ev): -48.5848 -48.5848 -22.9383 -22.9383 -21.0426 -21.0426 -15.4141 -15.4141 -15.1455 -15.1455 -4.6881 -4.6881 -3.3517 -3.3517 -2.7843 -2.7843 0.2198 0.2198 0.3565 0.3565 8.4488 8.4488 9.4637 9.4637 10.3119 10.3119 10.5900 10.5900 10.6645 10.6645 11.2679 11.2679 14.6974 14.6974 15.0222 15.0222 17.7925 17.7925 18.2877 18.2877 k = 0.5000-0.8023-0.5332 ( 2162 PWs) bands (ev): -48.5848 -48.5848 -22.9384 -22.9384 -21.0424 -21.0424 -15.4138 -15.4138 -15.1463 -15.1463 -4.6868 -4.6868 -3.3525 -3.3525 -2.7868 -2.7868 0.2207 0.2207 0.3571 0.3571 8.4516 8.4516 9.4616 9.4616 10.2992 10.2992 10.6047 10.6047 10.6660 10.6660 11.2566 11.2566 14.7108 14.7108 15.0334 15.0334 17.7840 17.7840 18.2753 18.2753 k = 0.5000-0.7921-0.5499 ( 2156 PWs) bands (ev): -48.5848 -48.5848 -22.9385 -22.9385 -21.0421 -21.0421 -15.4132 -15.4132 -15.1474 -15.1474 -4.6847 -4.6847 -3.3539 -3.3539 -2.7908 -2.7908 0.2222 0.2222 0.3580 0.3580 8.4561 8.4561 9.4581 9.4581 10.2810 10.2810 10.6247 10.6247 10.6700 10.6700 11.2382 11.2382 14.7329 14.7329 15.0519 15.0519 17.7700 17.7700 18.2552 18.2552 k = 0.5000-0.7820-0.5666 ( 2164 PWs) bands (ev): -48.5847 -48.5847 -22.9387 -22.9387 -21.0417 -21.0417 -15.4125 -15.4125 -15.1491 -15.1491 -4.6817 -4.6817 -3.3560 -3.3560 -2.7964 -2.7964 0.2242 0.2242 0.3593 0.3593 8.4624 8.4624 9.4531 9.4531 10.2599 10.2599 10.6427 10.6427 10.6810 10.6810 11.2131 11.2131 14.7631 14.7631 15.0778 15.0778 17.7506 17.7506 18.2282 18.2282 k = 0.5000-0.7718-0.5833 ( 2164 PWs) bands (ev): -48.5847 -48.5847 -22.9389 -22.9389 -21.0412 -21.0412 -15.4115 -15.4115 -15.1512 -15.1512 -4.6779 -4.6779 -3.3587 -3.3587 -2.8032 -2.8032 0.2267 0.2267 0.3609 0.3609 8.4705 8.4705 9.4467 9.4467 10.2377 10.2377 10.6518 10.6518 10.7040 10.7040 11.1823 11.1823 14.8008 14.8008 15.1109 15.1109 17.7260 17.7260 18.1952 18.1952 k = 0.5000-0.7617-0.6000 ( 2160 PWs) bands (ev): -48.5846 -48.5846 -22.9391 -22.9391 -21.0405 -21.0405 -15.4103 -15.4103 -15.1537 -15.1537 -4.6733 -4.6733 -3.3621 -3.3621 -2.8113 -2.8113 0.2298 0.2298 0.3628 0.3628 8.4804 8.4804 9.4389 9.4389 10.2158 10.2158 10.6551 10.6551 10.7339 10.7339 11.1466 11.1466 14.8452 14.8452 15.1511 15.1511 17.6965 17.6965 18.1572 18.1572 k = 0.5000-0.7515-0.6167 ( 2156 PWs) bands (ev): -48.5846 -48.5846 -22.9393 -22.9393 -21.0398 -21.0398 -15.4089 -15.4089 -15.1566 -15.1566 -4.6680 -4.6680 -3.3664 -3.3664 -2.8204 -2.8204 0.2333 0.2333 0.3649 0.3649 8.4918 8.4918 9.4295 9.4295 10.1950 10.1950 10.6562 10.6562 10.7657 10.7657 11.1075 11.1075 14.8955 14.8955 15.1982 15.1982 17.6623 17.6623 18.1153 18.1153 k = 0.5000-0.7414-0.6335 ( 2154 PWs) bands (ev): -48.5845 -48.5845 -22.9395 -22.9395 -21.0390 -21.0390 -15.4073 -15.4073 -15.1599 -15.1599 -4.6619 -4.6619 -3.3715 -3.3715 -2.8303 -2.8303 0.2373 0.2373 0.3672 0.3672 8.5049 8.5049 9.4188 9.4188 10.1759 10.1759 10.6557 10.6557 10.7967 10.7967 11.0669 11.0669 14.9509 14.9509 15.2519 15.2519 17.6239 17.6239 18.0703 18.0703 k = 0.5000-0.7312-0.6502 ( 2154 PWs) bands (ev): -48.5844 -48.5844 -22.9398 -22.9398 -21.0380 -21.0380 -15.4055 -15.4055 -15.1637 -15.1637 -4.6551 -4.6551 -3.3777 -3.3777 -2.8407 -2.8407 0.2416 0.2416 0.3697 0.3697 8.5196 8.5196 9.4067 9.4067 10.1589 10.1589 10.6535 10.6535 10.8238 10.8238 11.0282 11.0282 15.0103 15.0103 15.3121 15.3121 17.5817 17.5817 18.0232 18.0232 k = 0.5000-0.7211-0.6669 ( 2156 PWs) bands (ev): -48.5843 -48.5843 -22.9402 -22.9402 -21.0370 -21.0370 -15.4035 -15.4035 -15.1678 -15.1678 -4.6476 -4.6476 -3.3850 -3.3850 -2.8514 -2.8514 0.2463 0.2463 0.3722 0.3722 8.5357 8.5357 9.3932 9.3932 10.1443 10.1443 10.6490 10.6490 10.8415 10.8415 10.9980 10.9980 15.0730 15.0730 15.3786 15.3786 17.5360 17.5360 17.9747 17.9747 k = 0.5000-0.7109-0.6836 ( 2154 PWs) bands (ev): -48.5842 -48.5842 -22.9406 -22.9406 -21.0360 -21.0360 -15.4014 -15.4014 -15.1722 -15.1722 -4.6395 -4.6395 -3.3934 -3.3934 -2.8621 -2.8621 0.2512 0.2512 0.3748 0.3748 8.5532 8.5532 9.3787 9.3787 10.1322 10.1322 10.6406 10.6406 10.8413 10.8413 10.9865 10.9865 15.1380 15.1380 15.4510 15.4510 17.4872 17.4872 17.9255 17.9255 k = 0.5000-0.7008-0.7003 ( 2158 PWs) bands (ev): -48.5841 -48.5841 -22.9410 -22.9410 -21.0348 -21.0348 -15.3991 -15.3991 -15.1769 -15.1769 -4.6309 -4.6309 -3.4030 -3.4030 -2.8726 -2.8726 0.2563 0.2563 0.3774 0.3774 8.5720 8.5720 9.3631 9.3631 10.1226 10.1226 10.6263 10.6263 10.8234 10.8234 10.9957 10.9957 15.2044 15.2044 15.5292 15.5292 17.4360 17.4360 17.8762 17.8762 k = 0.5000-0.6906-0.7170 ( 2160 PWs) bands (ev): -48.5839 -48.5839 -22.9414 -22.9414 -21.0336 -21.0336 -15.3966 -15.3966 -15.1819 -15.1819 -4.6217 -4.6217 -3.4139 -3.4139 -2.8827 -2.8827 0.2616 0.2616 0.3799 0.3799 8.5920 8.5920 9.3467 9.3467 10.1155 10.1155 10.6037 10.6037 10.8002 10.8002 11.0160 11.0160 15.2713 15.2713 15.6127 15.6127 17.3828 17.3828 17.8271 17.8271 k = 0.5000-0.6805-0.7337 ( 2164 PWs) bands (ev): -48.5838 -48.5838 -22.9419 -22.9419 -21.0324 -21.0324 -15.3941 -15.3941 -15.1871 -15.1871 -4.6121 -4.6121 -3.4261 -3.4261 -2.8922 -2.8922 0.2669 0.2669 0.3824 0.3824 8.6130 8.6130 9.3296 9.3296 10.1108 10.1108 10.5717 10.5717 10.7806 10.7806 11.0400 11.0400 15.3379 15.3379 15.7012 15.7012 17.3281 17.3281 17.7788 17.7788 k = 0.5000-0.6703-0.7504 ( 2164 PWs) bands (ev): -48.5837 -48.5837 -22.9424 -22.9424 -21.0311 -21.0311 -15.3913 -15.3913 -15.1925 -15.1925 -4.6021 -4.6021 -3.4394 -3.4394 -2.9009 -2.9009 0.2722 0.2722 0.3847 0.3847 8.6351 8.6351 9.3122 9.3122 10.1084 10.1084 10.5314 10.5314 10.7669 10.7669 11.0645 11.0645 15.4032 15.4032 15.7945 15.7945 17.2726 17.2726 17.7316 17.7316 k = 0.5000-0.6601-0.7671 ( 2164 PWs) bands (ev): -48.5836 -48.5836 -22.9428 -22.9428 -21.0297 -21.0297 -15.3884 -15.3884 -15.1981 -15.1981 -4.5919 -4.5919 -3.4539 -3.4539 -2.9086 -2.9086 0.2774 0.2774 0.3869 0.3869 8.6580 8.6580 9.2946 9.2946 10.1079 10.1079 10.4856 10.4856 10.7582 10.7582 11.0878 11.0878 15.4665 15.4665 15.8919 15.8919 17.2169 17.2169 17.6856 17.6856 k = 0.5000-0.6500-0.7838 ( 2164 PWs) bands (ev): -48.5834 -48.5834 -22.9433 -22.9433 -21.0284 -21.0284 -15.3855 -15.3855 -15.2038 -15.2038 -4.5815 -4.5815 -3.4693 -3.4693 -2.9154 -2.9154 0.2825 0.2825 0.3889 0.3889 8.6815 8.6815 9.2770 9.2770 10.1089 10.1089 10.4373 10.4373 10.7528 10.7528 11.1092 11.1092 15.5269 15.5269 15.9932 15.9932 17.1620 17.1620 17.6411 17.6411 k = 0.5000-0.6398-0.8006 ( 2160 PWs) bands (ev): -48.5833 -48.5833 -22.9437 -22.9437 -21.0271 -21.0271 -15.3824 -15.3824 -15.2095 -15.2095 -4.5710 -4.5710 -3.4855 -3.4855 -2.9212 -2.9212 0.2874 0.2874 0.3907 0.3907 8.7057 8.7057 9.2596 9.2596 10.1108 10.1108 10.3889 10.3889 10.7494 10.7494 11.1283 11.1283 15.5832 15.5832 16.0977 16.0977 17.1086 17.1086 17.5984 17.5984 k = 0.5000-0.6297-0.8173 ( 2154 PWs) bands (ev): -48.5832 -48.5832 -22.9441 -22.9441 -21.0257 -21.0257 -15.3793 -15.3793 -15.2152 -15.2152 -4.5605 -4.5605 -3.5023 -3.5023 -2.9260 -2.9260 0.2920 0.2920 0.3924 0.3924 8.7302 8.7302 9.2426 9.2426 10.1125 10.1125 10.3428 10.3428 10.7471 10.7471 11.1447 11.1447 15.6347 15.6347 16.2047 16.2047 17.0578 17.0578 17.5577 17.5577 k = 0.5000-0.6195-0.8340 ( 2160 PWs) bands (ev): -48.5831 -48.5831 -22.9446 -22.9446 -21.0244 -21.0244 -15.3762 -15.3762 -15.2210 -15.2210 -4.5501 -4.5501 -3.5194 -3.5194 -2.9298 -2.9298 0.2963 0.2963 0.3938 0.3938 8.7550 8.7550 9.2261 9.2261 10.1118 10.1118 10.3020 10.3020 10.7453 10.7453 11.1582 11.1582 15.6800 15.6800 16.3133 16.3133 17.0110 17.0110 17.5193 17.5193 k = 0.5000-0.6094-0.8507 ( 2158 PWs) bands (ev): -48.5829 -48.5829 -22.9450 -22.9450 -21.0232 -21.0232 -15.3731 -15.3731 -15.2266 -15.2266 -4.5400 -4.5400 -3.5365 -3.5365 -2.9327 -2.9327 0.3001 0.3001 0.3950 0.3950 8.7799 8.7799 9.2104 9.2104 10.1052 10.1052 10.2706 10.2706 10.7436 10.7436 11.1687 11.1687 15.7181 15.7181 16.4221 16.4221 16.9696 16.9696 17.4838 17.4838 k = 0.5000-0.5992-0.8674 ( 2160 PWs) bands (ev): -48.5828 -48.5828 -22.9455 -22.9455 -21.0220 -21.0220 -15.3701 -15.3701 -15.2321 -15.2321 -4.5303 -4.5303 -3.5532 -3.5532 -2.9348 -2.9348 0.3035 0.3035 0.3960 0.3960 8.8048 8.8048 9.1954 9.1954 10.0890 10.0890 10.2527 10.2527 10.7418 10.7418 11.1760 11.1760 15.7477 15.7477 16.5293 16.5293 16.9353 16.9353 17.4522 17.4522 k = 0.5000-0.5891-0.8841 ( 2158 PWs) bands (ev): -48.5827 -48.5827 -22.9459 -22.9459 -21.0208 -21.0208 -15.3670 -15.3670 -15.2374 -15.2374 -4.5211 -4.5211 -3.5694 -3.5694 -2.9362 -2.9362 0.3064 0.3064 0.3968 0.3968 8.8294 8.8294 9.1813 9.1813 10.0631 10.0631 10.2487 10.2487 10.7396 10.7396 11.1802 11.1802 15.7678 15.7678 16.6314 16.6314 16.9103 16.9103 17.4265 17.4265 k = 0.5000-0.5789-0.9008 ( 2154 PWs) bands (ev): -48.5826 -48.5826 -22.9462 -22.9462 -21.0197 -21.0197 -15.3642 -15.3642 -15.2423 -15.2423 -4.5125 -4.5125 -3.5846 -3.5846 -2.9370 -2.9370 0.3088 0.3088 0.3974 0.3974 8.8536 8.8536 9.1682 9.1682 10.0313 10.0313 10.2552 10.2552 10.7370 10.7370 11.1813 11.1813 15.7774 15.7774 16.7218 16.7218 16.8988 16.8988 17.4096 17.4096 k = 0.5000-0.5688-0.9175 ( 2156 PWs) bands (ev): -48.5825 -48.5825 -22.9466 -22.9466 -21.0187 -21.0187 -15.3616 -15.3616 -15.2470 -15.2470 -4.5048 -4.5048 -3.5986 -3.5986 -2.9373 -2.9373 0.3107 0.3107 0.3977 0.3977 8.8772 8.8772 9.1561 9.1561 9.9975 9.9975 10.2684 10.2684 10.7337 10.7337 11.1792 11.1792 15.7761 15.7761 16.7864 16.7864 16.9093 16.9093 17.4067 17.4067 k = 0.5000-0.5586-0.9342 ( 2154 PWs) bands (ev): -48.5824 -48.5824 -22.9469 -22.9469 -21.0178 -21.0178 -15.3591 -15.3591 -15.2511 -15.2511 -4.4978 -4.4978 -3.6112 -3.6112 -2.9372 -2.9372 0.3121 0.3121 0.3978 0.3978 8.9000 8.9000 9.1451 9.1451 9.9642 9.9642 10.2861 10.2861 10.7298 10.7298 11.1741 11.1741 15.7642 15.7642 16.8158 16.8158 16.9440 16.9440 17.4247 17.4247 k = 0.5000-0.5485-0.9510 ( 2160 PWs) bands (ev): -48.5823 -48.5823 -22.9472 -22.9472 -21.0171 -21.0171 -15.3571 -15.3571 -15.2548 -15.2548 -4.4919 -4.4919 -3.6220 -3.6220 -2.9368 -2.9368 0.3129 0.3129 0.3977 0.3977 8.9219 8.9219 9.1351 9.1351 9.9327 9.9327 10.3072 10.3072 10.7251 10.7251 11.1661 11.1661 15.7424 15.7424 16.8260 16.8260 16.9806 16.9806 17.4685 17.4685 k = 0.5000-0.5383-0.9677 ( 2160 PWs) bands (ev): -48.5823 -48.5823 -22.9474 -22.9474 -21.0164 -21.0164 -15.3553 -15.3553 -15.2578 -15.2578 -4.4870 -4.4870 -3.6308 -3.6308 -2.9362 -2.9362 0.3132 0.3132 0.3973 0.3973 8.9428 8.9428 9.1261 9.1261 9.9038 9.9038 10.3310 10.3310 10.7196 10.7196 11.1554 11.1554 15.7118 15.7118 16.8279 16.8279 17.0079 17.0079 17.5367 17.5367 k = 0.5000-0.5282-0.9844 ( 2164 PWs) bands (ev): -48.5822 -48.5822 -22.9477 -22.9477 -21.0159 -21.0159 -15.3541 -15.3541 -15.2602 -15.2602 -4.4831 -4.4831 -3.6376 -3.6376 -2.9355 -2.9355 0.3131 0.3131 0.3966 0.3966 8.9624 8.9624 9.1181 9.1181 9.8778 9.8778 10.3571 10.3571 10.7133 10.7133 11.1422 11.1422 15.6741 15.6741 16.8211 16.8211 17.0316 17.0316 17.6220 17.6220 k = 0.5000-0.5180-1.0011 ( 2160 PWs) bands (ev): -48.5822 -48.5822 -22.9477 -22.9477 -21.0155 -21.0155 -15.3531 -15.3531 -15.2617 -15.2617 -4.4804 -4.4804 -3.6421 -3.6421 -2.9347 -2.9347 0.3126 0.3126 0.3956 0.3956 8.9808 8.9808 9.1110 9.1110 9.8552 9.8552 10.3853 10.3853 10.7062 10.7062 11.1267 11.1267 15.6306 15.6306 16.8034 16.8034 17.0595 17.0595 17.7167 17.7167 k = 0.5000-0.5079-1.0178 ( 2164 PWs) bands (ev): -48.5822 -48.5822 -22.9479 -22.9479 -21.0154 -21.0154 -15.3528 -15.3528 -15.2626 -15.2626 -4.4786 -4.4786 -3.6443 -3.6443 -2.9341 -2.9341 0.3117 0.3117 0.3943 0.3943 8.9978 8.9978 9.1048 9.1048 9.8360 9.8360 10.4155 10.4155 10.6984 10.6984 11.1091 11.1091 15.5827 15.5827 16.7752 16.7752 17.0948 17.0948 17.8151 17.8151 k = 0.5000-0.4977-1.0345 ( 2164 PWs) bands (ev): -48.5822 -48.5822 -22.9479 -22.9479 -21.0153 -21.0153 -15.3528 -15.3528 -15.2627 -15.2627 -4.4779 -4.4779 -3.6443 -3.6443 -2.9335 -2.9335 0.3105 0.3105 0.3927 0.3927 9.0133 9.0133 9.0995 9.0995 9.8204 9.8204 10.4476 10.4476 10.6898 10.6898 11.0896 11.0896 15.5317 15.5317 16.7384 16.7384 17.1377 17.1377 17.9134 17.9134 k = 0.5000-0.4876-1.0512 ( 2172 PWs) bands (ev): -48.5822 -48.5822 -22.9479 -22.9479 -21.0155 -21.0155 -15.3533 -15.3533 -15.2621 -15.2621 -4.4780 -4.4780 -3.6420 -3.6420 -2.9332 -2.9332 0.3091 0.3091 0.3908 0.3908 9.0273 9.0273 9.0949 9.0949 9.8083 9.8083 10.4814 10.4814 10.6804 10.6804 11.0687 11.0687 15.4785 15.4785 16.6951 16.6951 17.1868 17.1868 18.0088 18.0088 k = 0.5000-0.4774-1.0679 ( 2172 PWs) bands (ev): -48.5822 -48.5822 -22.9478 -22.9478 -21.0159 -21.0159 -15.3540 -15.3540 -15.2607 -15.2607 -4.4787 -4.4787 -3.6376 -3.6376 -2.9331 -2.9331 0.3074 0.3074 0.3886 0.3886 9.0398 9.0398 9.0910 9.0910 9.7998 9.7998 10.5169 10.5169 10.6704 10.6704 11.0465 11.0465 15.4242 15.4242 16.6470 16.6470 17.2410 17.2410 18.0994 18.0994 k = 0.5000-0.4673-1.0846 ( 2176 PWs) bands (ev): -48.5823 -48.5823 -22.9476 -22.9476 -21.0165 -21.0165 -15.3550 -15.3550 -15.2589 -15.2589 -4.4801 -4.4801 -3.6311 -3.6311 -2.9333 -2.9333 0.3056 0.3056 0.3860 0.3860 9.0506 9.0506 9.0878 9.0878 9.7947 9.7947 10.5541 10.5541 10.6599 10.6599 11.0234 11.0234 15.3693 15.3693 16.5952 16.5952 17.2992 17.2992 18.1838 18.1838 k = 0.8154-0.3789-0.9145 ( 2176 PWs) bands (ev): -48.5823 -48.5823 -22.9476 -22.9476 -21.0165 -21.0165 -15.3550 -15.3550 -15.2589 -15.2589 -4.4801 -4.4801 -3.6311 -3.6311 -2.9333 -2.9333 0.3056 0.3056 0.3860 0.3860 9.0506 9.0506 9.0878 9.0878 9.7947 9.7947 10.5541 10.5541 10.6599 10.6599 11.0234 11.0234 15.3693 15.3693 16.5952 16.5952 17.2992 17.2992 18.1838 18.1838 k = 0.8102-0.3703-0.8978 ( 2182 PWs) bands (ev): -48.5824 -48.5824 -22.9474 -22.9474 -21.0172 -21.0172 -15.3561 -15.3561 -15.2565 -15.2565 -4.4817 -4.4817 -3.6228 -3.6228 -2.9339 -2.9339 0.3037 0.3037 0.3831 0.3831 9.0596 9.0596 9.0857 9.0857 9.7929 9.7929 10.5925 10.5925 10.6489 10.6489 10.9997 10.9997 15.3146 15.3146 16.5406 16.5406 17.3604 17.3604 18.2606 18.2606 k = 0.8049-0.3616-0.8811 ( 2180 PWs) bands (ev): -48.5825 -48.5825 -22.9470 -22.9470 -21.0182 -21.0182 -15.3571 -15.3571 -15.2537 -15.2537 -4.4836 -4.4836 -3.6127 -3.6127 -2.9348 -2.9348 0.3017 0.3017 0.3800 0.3800 9.0658 9.0658 9.0855 9.0855 9.7942 9.7942 10.6304 10.6304 10.6396 10.6396 10.9757 10.9757 15.2606 15.2606 16.4838 16.4838 17.4240 17.4240 18.3294 18.3294 k = 0.7997-0.3530-0.8645 ( 2180 PWs) bands (ev): -48.5826 -48.5826 -22.9465 -22.9465 -21.0195 -21.0195 -15.3581 -15.3581 -15.2505 -15.2505 -4.4854 -4.4854 -3.6012 -3.6012 -2.9361 -2.9361 0.2996 0.2996 0.3766 0.3766 9.0682 9.0682 9.0882 9.0882 9.7985 9.7985 10.6249 10.6249 10.6747 10.6747 10.9518 10.9518 15.2076 15.2076 16.4251 16.4251 17.4892 17.4892 18.3896 18.3896 k = 0.7944-0.3443-0.8478 ( 2180 PWs) bands (ev): -48.5827 -48.5827 -22.9460 -22.9460 -21.0209 -21.0209 -15.3590 -15.3590 -15.2471 -15.2471 -4.4869 -4.4869 -3.5884 -3.5884 -2.9378 -2.9378 0.2976 0.2976 0.3730 0.3730 9.0675 9.0675 9.0931 9.0931 9.8054 9.8054 10.6128 10.6128 10.7172 10.7172 10.9283 10.9283 15.1560 15.1560 16.3650 16.3650 17.5553 17.5553 18.4412 18.4412 k = 0.7891-0.3357-0.8312 ( 2182 PWs) bands (ev): -48.5829 -48.5829 -22.9454 -22.9454 -21.0226 -21.0226 -15.3598 -15.3598 -15.2434 -15.2434 -4.4881 -4.4881 -3.5746 -3.5746 -2.9399 -2.9399 0.2955 0.2955 0.3692 0.3692 9.0654 9.0654 9.0985 9.0985 9.8150 9.8150 10.6005 10.6005 10.7607 10.7607 10.9058 10.9058 15.1060 15.1060 16.3038 16.3038 17.6216 17.6216 18.4840 18.4840 k = 0.7839-0.3270-0.8145 ( 2182 PWs) bands (ev): -48.5831 -48.5831 -22.9447 -22.9447 -21.0246 -21.0246 -15.3602 -15.3602 -15.2396 -15.2396 -4.4886 -4.4886 -3.5598 -3.5598 -2.9423 -2.9423 0.2935 0.2935 0.3653 0.3653 9.0627 9.0627 9.1038 9.1038 9.8269 9.8269 10.5880 10.5880 10.8039 10.8039 10.8856 10.8856 15.0581 15.0581 16.2417 16.2417 17.6873 17.6873 18.5181 18.5181 k = 0.7786-0.3184-0.7979 ( 2186 PWs) bands (ev): -48.5833 -48.5833 -22.9439 -22.9439 -21.0268 -21.0268 -15.3604 -15.3604 -15.2357 -15.2357 -4.4885 -4.4885 -3.5444 -3.5444 -2.9451 -2.9451 0.2915 0.2915 0.3613 0.3613 9.0596 9.0596 9.1085 9.1085 9.8410 9.8410 10.5753 10.5753 10.8379 10.8379 10.8771 10.8771 15.0124 15.0124 16.1790 16.1790 17.7515 17.7515 18.5440 18.5440 k = 0.7734-0.3097-0.7812 ( 2180 PWs) bands (ev): -48.5835 -48.5835 -22.9429 -22.9429 -21.0292 -21.0292 -15.3602 -15.3602 -15.2315 -15.2315 -4.4875 -4.4875 -3.5286 -3.5286 -2.9481 -2.9481 0.2894 0.2894 0.3572 0.3572 9.0561 9.0561 9.1127 9.1127 9.8573 9.8573 10.5627 10.5627 10.8340 10.8340 10.9088 10.9088 14.9692 14.9692 16.1160 16.1160 17.8134 17.8134 18.5620 18.5620 k = 0.7681-0.3011-0.7645 ( 2182 PWs) bands (ev): -48.5838 -48.5838 -22.9420 -22.9420 -21.0319 -21.0319 -15.3598 -15.3598 -15.2273 -15.2273 -4.4855 -4.4855 -3.5125 -3.5125 -2.9513 -2.9513 0.2873 0.2873 0.3533 0.3533 9.0524 9.0524 9.1162 9.1162 9.8755 9.8755 10.5499 10.5499 10.8186 10.8186 10.9548 10.9548 14.9286 14.9286 16.0529 16.0529 17.8721 17.8721 18.5729 18.5729 k = 0.7629-0.2924-0.7479 ( 2180 PWs) bands (ev): -48.5841 -48.5841 -22.9408 -22.9408 -21.0348 -21.0348 -15.3589 -15.3589 -15.2231 -15.2231 -4.4824 -4.4824 -3.4964 -3.4964 -2.9545 -2.9545 0.2851 0.2851 0.3495 0.3495 9.0485 9.0485 9.1190 9.1190 9.8957 9.8957 10.5372 10.5372 10.8035 10.8035 11.0033 11.0033 14.8908 14.8908 15.9899 15.9899 17.9264 17.9264 18.5776 18.5776 k = 0.7576-0.2838-0.7312 ( 2176 PWs) bands (ev): -48.5844 -48.5844 -22.9396 -22.9396 -21.0380 -21.0380 -15.3577 -15.3577 -15.2187 -15.2187 -4.4783 -4.4783 -3.4806 -3.4806 -2.9578 -2.9578 0.2827 0.2827 0.3459 0.3459 9.0443 9.0443 9.1210 9.1210 9.9177 9.9177 10.5245 10.5245 10.7902 10.7902 11.0528 11.0528 14.8560 14.8560 15.9274 15.9274 17.9755 17.9755 18.5772 18.5772 k = 0.7523-0.2751-0.7146 ( 2174 PWs) bands (ev): -48.5847 -48.5847 -22.9383 -22.9383 -21.0414 -21.0414 -15.3561 -15.3561 -15.2144 -15.2144 -4.4729 -4.4729 -3.4651 -3.4651 -2.9608 -2.9608 0.2799 0.2799 0.3428 0.3428 9.0400 9.0400 9.1222 9.1222 9.9415 9.9415 10.5117 10.5117 10.7793 10.7793 11.1029 11.1029 14.8244 14.8244 15.8655 15.8655 18.0184 18.0184 18.5726 18.5726 k = 0.7471-0.2665-0.6979 ( 2174 PWs) bands (ev): -48.5851 -48.5851 -22.9369 -22.9369 -21.0451 -21.0451 -15.3542 -15.3542 -15.2100 -15.2100 -4.4663 -4.4663 -3.4503 -3.4503 -2.9635 -2.9635 0.2769 0.2769 0.3401 0.3401 9.0356 9.0356 9.1226 9.1226 9.9669 9.9669 10.4989 10.4989 10.7710 10.7710 11.1534 11.1534 14.7960 14.7960 15.8043 15.8043 18.0541 18.0541 18.5644 18.5644 k = 0.7418-0.2578-0.6812 ( 2180 PWs) bands (ev): -48.5854 -48.5854 -22.9355 -22.9355 -21.0490 -21.0490 -15.3519 -15.3519 -15.2056 -15.2056 -4.4585 -4.4585 -3.4364 -3.4364 -2.9657 -2.9657 0.2733 0.2733 0.3380 0.3380 9.0310 9.0310 9.1222 9.1222 9.9940 9.9940 10.4860 10.4860 10.7655 10.7655 11.2040 11.2040 14.7709 14.7709 15.7443 15.7443 18.0819 18.0819 18.5530 18.5530 k = 0.7366-0.2492-0.6646 ( 2176 PWs) bands (ev): -48.5858 -48.5858 -22.9339 -22.9339 -21.0531 -21.0531 -15.3492 -15.3492 -15.2012 -15.2012 -4.4494 -4.4494 -3.4236 -3.4236 -2.9671 -2.9671 0.2692 0.2692 0.3365 0.3365 9.0265 9.0265 9.1209 9.1209 10.0227 10.0227 10.4731 10.4731 10.7631 10.7631 11.2545 11.2545 14.7493 14.7493 15.6855 15.6855 18.1013 18.1013 18.5384 18.5384 k = 0.7313-0.2405-0.6479 ( 2174 PWs) bands (ev): -48.5862 -48.5862 -22.9322 -22.9322 -21.0574 -21.0574 -15.3461 -15.3461 -15.1967 -15.1967 -4.4391 -4.4391 -3.4120 -3.4120 -2.9676 -2.9676 0.2645 0.2645 0.3357 0.3357 9.0219 9.0219 9.1189 9.1189 10.0528 10.0528 10.4600 10.4600 10.7639 10.7639 11.3046 11.3046 14.7312 14.7312 15.6282 15.6282 18.1119 18.1119 18.5205 18.5205 k = 0.7261-0.2319-0.6313 ( 2176 PWs) bands (ev): -48.5867 -48.5867 -22.9305 -22.9305 -21.0620 -21.0620 -15.3427 -15.3427 -15.1922 -15.1922 -4.4277 -4.4277 -3.4019 -3.4019 -2.9669 -2.9669 0.2593 0.2593 0.3355 0.3355 9.0175 9.0175 9.1161 9.1161 10.0843 10.0843 10.4469 10.4469 10.7678 10.7678 11.3540 11.3540 14.7167 14.7167 15.5727 15.5727 18.1137 18.1137 18.4993 18.4993 k = 0.7208-0.2232-0.6146 ( 2180 PWs) bands (ev): -48.5872 -48.5872 -22.9288 -22.9288 -21.0668 -21.0668 -15.3390 -15.3390 -15.1877 -15.1877 -4.4151 -4.4151 -3.3934 -3.3934 -2.9650 -2.9650 0.2534 0.2534 0.3359 0.3359 9.0132 9.0132 9.1127 9.1127 10.1170 10.1170 10.4337 10.4337 10.7749 10.7749 11.4025 11.4025 14.7058 14.7058 15.5191 15.5191 18.1068 18.1068 18.4745 18.4745 k = 0.7155-0.2146-0.5979 ( 2180 PWs) bands (ev): -48.5876 -48.5876 -22.9269 -22.9269 -21.0717 -21.0717 -15.3349 -15.3349 -15.1831 -15.1831 -4.4014 -4.4014 -3.3865 -3.3865 -2.9616 -2.9616 0.2471 0.2471 0.3369 0.3369 9.0092 9.0092 9.1087 9.1087 10.1508 10.1508 10.4206 10.4206 10.7853 10.7853 11.4499 11.4499 14.6985 14.6985 15.4677 15.4677 18.0919 18.0919 18.4461 18.4461 k = 0.7103-0.2059-0.5813 ( 2180 PWs) bands (ev): -48.5881 -48.5881 -22.9249 -22.9249 -21.0769 -21.0769 -15.3306 -15.3306 -15.1785 -15.1785 -4.3869 -4.3869 -3.3814 -3.3814 -2.9567 -2.9567 0.2402 0.2402 0.3383 0.3383 9.0055 9.0055 9.1043 9.1043 10.1854 10.1854 10.4078 10.4078 10.7987 10.7987 11.4956 11.4956 14.6948 14.6948 15.4186 15.4186 18.0693 18.0693 18.4140 18.4140 k = 0.7050-0.1973-0.5646 ( 2186 PWs) bands (ev): -48.5887 -48.5887 -22.9230 -22.9230 -21.0822 -21.0822 -15.3261 -15.3261 -15.1738 -15.1738 -4.3715 -4.3715 -3.3778 -3.3778 -2.9503 -2.9503 0.2328 0.2328 0.3402 0.3402 9.0021 9.0021 9.0997 9.0997 10.2200 10.2200 10.3958 10.3958 10.8152 10.8152 11.5396 11.5396 14.6948 14.6948 15.3721 15.3721 18.0399 18.0399 18.3784 18.3784 k = 0.6998-0.1886-0.5480 ( 2178 PWs) bands (ev): -48.5892 -48.5892 -22.9208 -22.9208 -21.0876 -21.0876 -15.3212 -15.3212 -15.1690 -15.1690 -4.3554 -4.3554 -3.3756 -3.3756 -2.9423 -2.9423 0.2250 0.2250 0.3424 0.3424 8.9992 8.9992 9.0950 9.0950 10.2534 10.2534 10.3859 10.3859 10.8346 10.8346 11.5813 11.5813 14.6984 14.6984 15.3284 15.3284 18.0045 18.0045 18.3392 18.3392 k = 0.6945-0.1800-0.5313 ( 2178 PWs) bands (ev): -48.5897 -48.5897 -22.9187 -22.9187 -21.0933 -21.0933 -15.3162 -15.3162 -15.1641 -15.1641 -4.3388 -4.3388 -3.3747 -3.3747 -2.9328 -2.9328 0.2168 0.2168 0.3449 0.3449 8.9968 8.9968 9.0903 9.0903 10.2820 10.2820 10.3818 10.3818 10.8568 10.8568 11.6205 11.6205 14.7056 14.7056 15.2877 15.2877 17.9639 17.9639 18.2967 18.2967 k = 0.6893-0.1713-0.5146 ( 2176 PWs) bands (ev): -48.5903 -48.5903 -22.9164 -22.9164 -21.0990 -21.0990 -15.3111 -15.3111 -15.1590 -15.1590 -4.3219 -4.3219 -3.3747 -3.3747 -2.9220 -2.9220 0.2081 0.2081 0.3476 0.3476 8.9950 8.9950 9.0859 9.0859 10.2983 10.2983 10.3907 10.3907 10.8816 10.8816 11.6568 11.6568 14.7163 14.7163 15.2501 15.2501 17.9191 17.9191 18.2511 18.2511 k = 0.6840-0.1627-0.4980 ( 2178 PWs) bands (ev): -48.5909 -48.5909 -22.9142 -22.9142 -21.1049 -21.1049 -15.3059 -15.3059 -15.1538 -15.1538 -4.3049 -4.3049 -3.3753 -3.3753 -2.9100 -2.9100 0.1991 0.1991 0.3504 0.3504 8.9937 8.9937 9.0819 9.0819 10.2988 10.2988 10.4162 10.4162 10.9087 10.9087 11.6899 11.6899 14.7303 14.7303 15.2158 15.2158 17.8708 17.8708 18.2026 18.2026 k = 0.6787-0.1540-0.4813 ( 2172 PWs) bands (ev): -48.5915 -48.5915 -22.9118 -22.9118 -21.1109 -21.1109 -15.3006 -15.3006 -15.1484 -15.1484 -4.2880 -4.2880 -3.3762 -3.3762 -2.8969 -2.8969 0.1897 0.1897 0.3532 0.3532 8.9931 8.9931 9.0785 9.0785 10.2900 10.2900 10.4515 10.4515 10.9381 10.9381 11.7195 11.7195 14.7478 14.7478 15.1849 15.1849 17.8199 17.8199 18.1518 18.1518 k = 0.6735-0.1454-0.4647 ( 2168 PWs) bands (ev): -48.5921 -48.5921 -22.9094 -22.9094 -21.1169 -21.1169 -15.2953 -15.2953 -15.1429 -15.1429 -4.2715 -4.2715 -3.3769 -3.3769 -2.8830 -2.8830 0.1799 0.1799 0.3561 0.3561 8.9932 8.9932 9.0759 9.0759 10.2774 10.2774 10.4915 10.4915 10.9694 10.9694 11.7451 11.7451 14.7684 14.7684 15.1575 15.1575 17.7671 17.7671 18.0989 18.0989 k = 0.6682-0.1367-0.4480 ( 2168 PWs) bands (ev): -48.5927 -48.5927 -22.9071 -22.9071 -21.1230 -21.1230 -15.2900 -15.2900 -15.1371 -15.1371 -4.2556 -4.2556 -3.3771 -3.3771 -2.8682 -2.8682 0.1698 0.1698 0.3590 0.3590 8.9940 8.9940 9.0741 9.0741 10.2630 10.2630 10.5338 10.5338 11.0024 11.0024 11.7667 11.7667 14.7921 14.7921 15.1337 15.1337 17.7129 17.7129 18.0445 18.0445 k = 0.6630-0.1281-0.4314 ( 2170 PWs) bands (ev): -48.5933 -48.5933 -22.9047 -22.9047 -21.1292 -21.1292 -15.2849 -15.2849 -15.1312 -15.1312 -4.2406 -4.2406 -3.3766 -3.3766 -2.8528 -2.8528 0.1594 0.1594 0.3617 0.3617 8.9956 8.9956 9.0734 9.0734 10.2476 10.2476 10.5778 10.5778 11.0369 11.0369 11.7838 11.7838 14.8186 14.8186 15.1134 15.1134 17.6578 17.6578 17.9890 17.9890 k = 0.6577-0.1194-0.4147 ( 2168 PWs) bands (ev): -48.5939 -48.5939 -22.9023 -22.9023 -21.1354 -21.1354 -15.2798 -15.2798 -15.1250 -15.1250 -4.2268 -4.2268 -3.3748 -3.3748 -2.8368 -2.8368 0.1486 0.1486 0.3642 0.3642 8.9978 8.9978 9.0738 9.0738 10.2317 10.2317 10.6230 10.6230 11.0725 11.0725 11.7964 11.7964 14.8479 14.8479 15.0968 15.0968 17.6022 17.6022 17.9329 17.9329 k = 0.6525-0.1108-0.3980 ( 2168 PWs) bands (ev): -48.5945 -48.5945 -22.8999 -22.8999 -21.1417 -21.1417 -15.2749 -15.2749 -15.1186 -15.1186 -4.2144 -4.2144 -3.3716 -3.3716 -2.8204 -2.8204 0.1375 0.1375 0.3665 0.3665 9.0009 9.0009 9.0755 9.0755 10.2155 10.2155 10.6692 10.6692 11.1091 11.1091 11.8044 11.8044 14.8795 14.8795 15.0838 15.0838 17.5464 17.5464 17.8766 17.8766 k = 0.6472-0.1021-0.3814 ( 2168 PWs) bands (ev): -48.5951 -48.5951 -22.8974 -22.8974 -21.1479 -21.1479 -15.2702 -15.2702 -15.1120 -15.1120 -4.2036 -4.2036 -3.3667 -3.3667 -2.8035 -2.8035 0.1262 0.1262 0.3686 0.3686 9.0046 9.0046 9.0786 9.0786 10.1990 10.1990 10.7162 10.7162 11.1462 11.1462 11.8076 11.8076 14.9131 14.9131 15.0745 15.0745 17.4905 17.4905 17.8204 17.8204 k = 0.6419-0.0935-0.3647 ( 2164 PWs) bands (ev): -48.5957 -48.5957 -22.8950 -22.8950 -21.1541 -21.1541 -15.2656 -15.2656 -15.1051 -15.1051 -4.1946 -4.1946 -3.3599 -3.3599 -2.7864 -2.7864 0.1146 0.1146 0.3703 0.3703 9.0090 9.0090 9.0832 9.0832 10.1825 10.1825 10.7641 10.7641 11.1835 11.1835 11.8061 11.8061 14.9478 14.9478 15.0696 15.0696 17.4345 17.4345 17.7646 17.7646 k = 0.6367-0.0848-0.3481 ( 2162 PWs) bands (ev): -48.5963 -48.5963 -22.8926 -22.8926 -21.1603 -21.1603 -15.2613 -15.2613 -15.0980 -15.0980 -4.1875 -4.1875 -3.3512 -3.3512 -2.7689 -2.7689 0.1028 0.1028 0.3716 0.3716 9.0140 9.0140 9.0896 9.0896 10.1660 10.1660 10.8127 10.8127 11.2205 11.2205 11.8001 11.8001 14.9818 14.9818 15.0703 15.0703 17.3784 17.3784 17.7093 17.7093 k = 0.6314-0.0762-0.3314 ( 2158 PWs) bands (ev): -48.5970 -48.5970 -22.8901 -22.8901 -21.1664 -21.1664 -15.2572 -15.2572 -15.0906 -15.0906 -4.1823 -4.1823 -3.3405 -3.3405 -2.7511 -2.7511 0.0909 0.0909 0.3726 0.3726 9.0194 9.0194 9.0978 9.0978 10.1496 10.1496 10.8620 10.8620 11.2566 11.2566 11.7901 11.7901 15.0105 15.0105 15.0808 15.0808 17.3220 17.3220 17.6543 17.6543 k = 0.6262-0.0675-0.3147 ( 2154 PWs) bands (ev): -48.5976 -48.5976 -22.8877 -22.8877 -21.1725 -21.1725 -15.2533 -15.2533 -15.0831 -15.0831 -4.1792 -4.1792 -3.3279 -3.3279 -2.7331 -2.7331 0.0788 0.0788 0.3731 0.3731 9.0251 9.0251 9.1081 9.1081 10.1332 10.1332 10.9120 10.9120 11.2912 11.2912 11.7764 11.7764 15.0287 15.0287 15.1060 15.1060 17.2650 17.2650 17.5994 17.5994 k = 0.6209-0.0589-0.2981 ( 2152 PWs) bands (ev): -48.5981 -48.5981 -22.8854 -22.8854 -21.1784 -21.1784 -15.2498 -15.2498 -15.0755 -15.0755 -4.1780 -4.1780 -3.3135 -3.3135 -2.7148 -2.7148 0.0666 0.0666 0.3731 0.3731 9.0309 9.0309 9.1206 9.1206 10.1171 10.1171 10.9627 10.9627 11.3233 11.3233 11.7599 11.7599 15.0391 15.0391 15.1429 15.1429 17.2072 17.2072 17.5440 17.5440 k = 0.6157-0.0502-0.2814 ( 2156 PWs) bands (ev): -48.5987 -48.5987 -22.8831 -22.8831 -21.1843 -21.1843 -15.2466 -15.2466 -15.0677 -15.0677 -4.1786 -4.1786 -3.2975 -3.2975 -2.6963 -2.6963 0.0544 0.0544 0.3727 0.3727 9.0367 9.0367 9.1356 9.1356 10.1012 10.1012 11.0138 11.0138 11.3515 11.3515 11.7421 11.7421 15.0471 15.0471 15.1855 15.1855 17.1480 17.1480 17.4875 17.4875 k = 0.6104-0.0416-0.2648 ( 2158 PWs) bands (ev): -48.5993 -48.5993 -22.8809 -22.8809 -21.1900 -21.1900 -15.2436 -15.2436 -15.0599 -15.0599 -4.1808 -4.1808 -3.2801 -3.2801 -2.6775 -2.6775 0.0422 0.0422 0.3717 0.3717 9.0423 9.0423 9.1530 9.1530 10.0856 10.0856 11.0655 11.0655 11.3738 11.3738 11.7249 11.7249 15.0553 15.0553 15.2309 15.2309 17.0873 17.0873 17.4291 17.4291 k = 0.6051-0.0329-0.2481 ( 2160 PWs) bands (ev): -48.5999 -48.5999 -22.8788 -22.8788 -21.1956 -21.1956 -15.2408 -15.2408 -15.0520 -15.0520 -4.1845 -4.1845 -3.2617 -3.2617 -2.6585 -2.6585 0.0301 0.0301 0.3703 0.3703 9.0477 9.0477 9.1731 9.1731 10.0704 10.0704 11.1174 11.1174 11.3877 11.3877 11.7109 11.7109 15.0647 15.0647 15.2779 15.2779 17.0248 17.0248 17.3681 17.3681 k = 0.5999-0.0243-0.2314 ( 2160 PWs) bands (ev): -48.6004 -48.6004 -22.8767 -22.8767 -21.2011 -21.2011 -15.2383 -15.2383 -15.0441 -15.0441 -4.1895 -4.1895 -3.2425 -3.2425 -2.6393 -2.6393 0.0180 0.0180 0.3683 0.3683 9.0527 9.0527 9.1958 9.1958 10.0556 10.0556 11.1692 11.1692 11.3906 11.3906 11.7031 11.7031 15.0756 15.0756 15.3259 15.3259 16.9602 16.9602 17.3039 17.3039 k = 0.5946-0.0156-0.2148 ( 2158 PWs) bands (ev): -48.6010 -48.6010 -22.8746 -22.8746 -21.2063 -21.2063 -15.2359 -15.2359 -15.0363 -15.0363 -4.1955 -4.1955 -3.2229 -3.2229 -2.6199 -2.6199 0.0062 0.0062 0.3659 0.3659 9.0574 9.0574 9.2212 9.2212 10.0412 10.0412 11.2201 11.2201 11.3812 11.3812 11.7034 11.7034 15.0885 15.0885 15.3743 15.3743 16.8937 16.8937 17.2362 17.2362 k = 0.5894-0.0070-0.1981 ( 2158 PWs) bands (ev): -48.6015 -48.6015 -22.8726 -22.8726 -21.2114 -21.2114 -15.2338 -15.2338 -15.0286 -15.0286 -4.2023 -4.2023 -3.2031 -3.2031 -2.6003 -2.6003 -0.0055 -0.0055 0.3630 0.3630 9.0618 9.0618 9.2491 9.2491 10.0273 10.0273 11.2663 11.2663 11.3636 11.3636 11.7118 11.7118 15.1034 15.1034 15.4227 15.4227 16.8253 16.8253 17.1651 17.1651 k = 0.5841 0.0017-0.1815 ( 2160 PWs) bands (ev): -48.6020 -48.6020 -22.8707 -22.8707 -21.2163 -21.2163 -15.2320 -15.2320 -15.0210 -15.0210 -4.2097 -4.2097 -3.1835 -3.1835 -2.5807 -2.5807 -0.0168 -0.0168 0.3597 0.3597 9.0658 9.0658 9.2797 9.2797 10.0139 10.0139 11.2863 11.2863 11.3611 11.3611 11.7262 11.7262 15.1207 15.1207 15.4708 15.4708 16.7554 16.7554 17.0908 17.0908 k = 0.5789 0.0103-0.1648 ( 2156 PWs) bands (ev): -48.6024 -48.6024 -22.8688 -22.8688 -21.2209 -21.2209 -15.2302 -15.2302 -15.0136 -15.0136 -4.2176 -4.2176 -3.1642 -3.1642 -2.5610 -2.5610 -0.0279 -0.0279 0.3559 0.3559 9.0694 9.0694 9.3129 9.3129 10.0011 10.0011 11.2580 11.2580 11.3983 11.3983 11.7443 11.7443 15.1406 15.1406 15.5181 15.5181 16.6845 16.6845 17.0140 17.0140 k = 0.5736 0.0190-0.1481 ( 2152 PWs) bands (ev): -48.6029 -48.6029 -22.8671 -22.8671 -21.2253 -21.2253 -15.2286 -15.2286 -15.0064 -15.0064 -4.2258 -4.2258 -3.1456 -3.1456 -2.5414 -2.5414 -0.0385 -0.0385 0.3519 0.3519 9.0726 9.0726 9.3485 9.3485 9.9889 9.9889 11.2114 11.2114 11.4469 11.4469 11.7643 11.7643 15.1633 15.1633 15.5642 15.5642 16.6132 16.6132 16.9353 16.9353 k = 0.5683 0.0276-0.1315 ( 2150 PWs) bands (ev): -48.6033 -48.6033 -22.8654 -22.8654 -21.2295 -21.2295 -15.2272 -15.2272 -14.9996 -14.9996 -4.2340 -4.2340 -3.1278 -3.1278 -2.5219 -2.5219 -0.0487 -0.0487 0.3476 0.3476 9.0755 9.0755 9.3864 9.3864 9.9774 9.9774 11.1576 11.1576 11.4972 11.4972 11.7848 11.7848 15.1889 15.1889 15.6088 15.6088 16.5421 16.5421 16.8554 16.8554 k = 0.5631 0.0363-0.1148 ( 2144 PWs) bands (ev): -48.6037 -48.6037 -22.8638 -22.8638 -21.2334 -21.2334 -15.2260 -15.2260 -14.9930 -14.9930 -4.2422 -4.2422 -3.1109 -3.1109 -2.5029 -2.5029 -0.0583 -0.0583 0.3431 0.3431 9.0780 9.0780 9.4266 9.4266 9.9666 9.9666 11.0994 11.0994 11.5471 11.5471 11.8051 11.8051 15.2176 15.2176 15.6512 15.6512 16.4722 16.4722 16.7750 16.7750 k = 0.5578 0.0449-0.0982 ( 2138 PWs) bands (ev): -48.6041 -48.6041 -22.8623 -22.8623 -21.2371 -21.2371 -15.2248 -15.2248 -14.9867 -14.9867 -4.2502 -4.2502 -3.0952 -3.0952 -2.4843 -2.4843 -0.0674 -0.0674 0.3384 0.3384 9.0802 9.0802 9.4689 9.4689 9.9565 9.9565 11.0383 11.0383 11.5958 11.5958 11.8246 11.8246 15.2495 15.2495 15.6910 15.6910 16.4041 16.4041 16.6946 16.6946 k = 0.5526 0.0535-0.0815 ( 2136 PWs) bands (ev): -48.6044 -48.6044 -22.8609 -22.8609 -21.2404 -21.2404 -15.2239 -15.2239 -14.9810 -14.9810 -4.2578 -4.2578 -3.0807 -3.0807 -2.4665 -2.4665 -0.0759 -0.0759 0.3338 0.3338 9.0821 9.0821 9.5131 9.5131 9.9473 9.9473 10.9753 10.9753 11.6425 11.6425 11.8430 11.8430 15.2847 15.2847 15.7276 15.7276 16.3389 16.3389 16.6148 16.6148 k = 0.5473 0.0622-0.0649 ( 2134 PWs) bands (ev): -48.6047 -48.6047 -22.8597 -22.8597 -21.2435 -21.2435 -15.2230 -15.2230 -14.9756 -14.9756 -4.2651 -4.2651 -3.0675 -3.0675 -2.4495 -2.4495 -0.0837 -0.0837 0.3292 0.3292 9.0838 9.0838 9.5588 9.5588 9.9388 9.9388 10.9111 10.9111 11.6868 11.6868 11.8602 11.8602 15.3232 15.3232 15.7604 15.7604 16.2774 16.2774 16.5363 16.5363 k = 0.5421 0.0708-0.0482 ( 2128 PWs) bands (ev): -48.6050 -48.6050 -22.8585 -22.8585 -21.2463 -21.2463 -15.2222 -15.2222 -14.9707 -14.9707 -4.2718 -4.2718 -3.0557 -3.0557 -2.4336 -2.4336 -0.0909 -0.0909 0.3247 0.3247 9.0851 9.0851 9.6056 9.6056 9.9314 9.9314 10.8467 10.8467 11.7279 11.7279 11.8762 11.8762 15.3649 15.3649 15.7886 15.7886 16.2206 16.2206 16.4596 16.4596 k = 0.5368 0.0795-0.0315 ( 2128 PWs) bands (ev): -48.6052 -48.6052 -22.8576 -22.8576 -21.2487 -21.2487 -15.2216 -15.2216 -14.9664 -14.9664 -4.2779 -4.2779 -3.0452 -3.0452 -2.4190 -2.4190 -0.0973 -0.0973 0.3205 0.3205 9.0862 9.0862 9.6530 9.6530 9.9249 9.9249 10.7828 10.7828 11.7651 11.7651 11.8910 11.8910 15.4096 15.4096 15.8113 15.8113 16.1694 16.1694 16.3858 16.3858 k = 0.5315 0.0881-0.0149 ( 2128 PWs) bands (ev): -48.6055 -48.6055 -22.8567 -22.8567 -21.2509 -21.2509 -15.2211 -15.2211 -14.9625 -14.9625 -4.2833 -4.2833 -3.0361 -3.0361 -2.4058 -2.4058 -0.1029 -0.1029 0.3167 0.3167 9.0871 9.0871 9.7002 9.7002 9.9195 9.9195 10.7204 10.7204 11.7978 11.7978 11.9048 11.9048 15.4573 15.4573 15.8275 15.8275 16.1238 16.1238 16.3163 16.3163 k = 0.5263 0.0968 0.0018 ( 2126 PWs) bands (ev): -48.6057 -48.6057 -22.8560 -22.8560 -21.2527 -21.2527 -15.2206 -15.2206 -14.9592 -14.9592 -4.2880 -4.2880 -3.0285 -3.0285 -2.3944 -2.3944 -0.1077 -0.1077 0.3132 0.3132 9.0879 9.0879 9.7460 9.7460 9.9156 9.9156 10.6609 10.6609 11.8251 11.8251 11.9177 11.9177 15.5075 15.5075 15.8368 15.8368 16.0829 16.0829 16.2535 16.2535 k = 0.5210 0.1054 0.0184 ( 2128 PWs) bands (ev): -48.6058 -48.6058 -22.8554 -22.8554 -21.2542 -21.2542 -15.2203 -15.2203 -14.9565 -14.9565 -4.2919 -4.2919 -3.0222 -3.0222 -2.3848 -2.3848 -0.1116 -0.1116 0.3103 0.3103 9.0884 9.0884 9.7884 9.7884 9.9135 9.9135 10.6058 10.6058 11.8468 11.8468 11.9298 11.9298 15.5599 15.5599 15.8392 15.8392 16.0436 16.0436 16.2012 16.2012 k = 0.5158 0.1141 0.0351 ( 2134 PWs) bands (ev): -48.6059 -48.6059 -22.8550 -22.8550 -21.2554 -21.2554 -15.2200 -15.2200 -14.9545 -14.9545 -4.2950 -4.2950 -3.0174 -3.0174 -2.3771 -2.3771 -0.1147 -0.1147 0.3079 0.3079 9.0889 9.0889 9.8245 9.8245 9.9142 9.9142 10.5573 10.5573 11.8628 11.8628 11.9405 11.9405 15.6137 15.6137 15.8356 15.8356 16.0018 16.0018 16.1637 16.1637 k = 0.5105 0.1227 0.0518 ( 2134 PWs) bands (ev): -48.6060 -48.6060 -22.8547 -22.8547 -21.2563 -21.2563 -15.2199 -15.2199 -14.9530 -14.9530 -4.2972 -4.2972 -3.0139 -3.0139 -2.3716 -2.3716 -0.1170 -0.1170 0.3062 0.3062 9.0891 9.0891 9.8503 9.8503 9.9187 9.9187 10.5185 10.5185 11.8736 11.8736 11.9491 11.9491 15.6678 15.6678 15.8269 15.8269 15.9580 15.9580 16.1412 16.1412 k = 0.5053 0.1314 0.0684 ( 2136 PWs) bands (ev): -48.6061 -48.6061 -22.8545 -22.8545 -21.2568 -21.2568 -15.2198 -15.2198 -14.9520 -14.9520 -4.2986 -4.2986 -3.0118 -3.0118 -2.3682 -2.3682 -0.1183 -0.1183 0.3052 0.3052 9.0893 9.0893 9.8638 9.8638 9.9256 9.9256 10.4930 10.4930 11.8797 11.8797 11.9547 11.9547 15.7187 15.7187 15.8112 15.8112 15.9212 15.9212 16.1302 16.1302 k = 0.5000 0.1400 0.0851 ( 2136 PWs) bands (ev): -48.6061 -48.6061 -22.8545 -22.8545 -21.2569 -21.2569 -15.2198 -15.2198 -14.9517 -14.9517 -4.2990 -4.2990 -3.0111 -3.0111 -2.3671 -2.3671 -0.1188 -0.1188 0.3048 0.3048 9.0894 9.0894 9.8676 9.8676 9.9291 9.9291 10.4840 10.4840 11.8816 11.8816 11.9567 11.9567 15.7493 15.7493 15.7944 15.7944 15.9064 15.9064 16.1269 16.1269 k = 0.5000 0.1400 0.0851 ( 2136 PWs) bands (ev): -48.6061 -48.6061 -22.8545 -22.8545 -21.2569 -21.2569 -15.2198 -15.2198 -14.9517 -14.9517 -4.2990 -4.2990 -3.0111 -3.0111 -2.3671 -2.3671 -0.1188 -0.1188 0.3048 0.3048 9.0894 9.0894 9.8676 9.8676 9.9291 9.9291 10.4840 10.4840 11.8816 11.8816 11.9567 11.9567 15.7493 15.7493 15.7944 15.7944 15.9064 15.9064 16.1269 16.1269 k = 0.4815 0.1349 0.0819 ( 2130 PWs) bands (ev): -48.6061 -48.6061 -22.8544 -22.8544 -21.2569 -21.2569 -15.2197 -15.2197 -14.9517 -14.9517 -4.2984 -4.2984 -3.0109 -3.0109 -2.3671 -2.3671 -0.1301 -0.1301 0.3158 0.3158 9.0825 9.0825 9.8668 9.8668 9.9283 9.9283 10.4925 10.4925 11.8833 11.8833 11.9584 11.9584 15.7349 15.7349 15.8061 15.8061 15.9049 15.9049 16.1286 16.1286 k = 0.4630 0.1297 0.0788 ( 2127 PWs) bands (ev): -48.6061 -48.6061 -22.8543 -22.8543 -21.2570 -21.2570 -15.2197 -15.2197 -14.9517 -14.9517 -4.2967 -4.2967 -3.0103 -3.0103 -2.3671 -2.3671 -0.1612 -0.1612 0.3459 0.3459 9.0626 9.0626 9.8645 9.8645 9.9260 9.9260 10.5174 10.5174 11.8881 11.8881 11.9634 11.9634 15.7078 15.7078 15.8249 15.8249 15.9004 15.9004 16.1336 16.1336 k = 0.4444 0.1245 0.0756 ( 2124 PWs) bands (ev): -48.6061 -48.6061 -22.8543 -22.8543 -21.2570 -21.2570 -15.2198 -15.2198 -14.9516 -14.9516 -4.2937 -4.2937 -3.0094 -3.0094 -2.3671 -2.3671 -0.2059 -0.2059 0.3888 0.3888 9.0310 9.0310 9.8608 9.8608 9.9222 9.9222 10.5573 10.5573 11.8962 11.8962 11.9716 11.9716 15.6773 15.6773 15.8411 15.8411 15.8930 15.8930 16.1422 16.1422 k = 0.4259 0.1193 0.0725 ( 2121 PWs) bands (ev): -48.6061 -48.6061 -22.8542 -22.8542 -21.2570 -21.2570 -15.2200 -15.2200 -14.9516 -14.9516 -4.2897 -4.2897 -3.0080 -3.0080 -2.3670 -2.3670 -0.2588 -0.2588 0.4393 0.4393 8.9897 8.9897 9.8558 9.8558 9.9171 9.9171 10.6102 10.6102 11.9072 11.9072 11.9830 11.9830 15.6456 15.6456 15.8522 15.8522 15.8829 15.8829 16.1547 16.1547 k = 0.4074 0.1141 0.0693 ( 2127 PWs) bands (ev): -48.6061 -48.6061 -22.8542 -22.8542 -21.2570 -21.2570 -15.2203 -15.2203 -14.9517 -14.9517 -4.2845 -4.2845 -3.0062 -3.0062 -2.3670 -2.3670 -0.3165 -0.3165 0.4940 0.4940 8.9409 8.9409 9.8494 9.8494 9.9106 9.9106 10.6739 10.6739 11.9212 11.9212 11.9974 11.9974 15.6135 15.6135 15.8577 15.8577 15.8703 15.8703 16.1707 16.1707 k = 0.3889 0.1089 0.0662 ( 2127 PWs) bands (ev): -48.6061 -48.6061 -22.8541 -22.8541 -21.2571 -21.2571 -15.2206 -15.2206 -14.9517 -14.9517 -4.2783 -4.2783 -3.0041 -3.0041 -2.3670 -2.3670 -0.3769 -0.3769 0.5507 0.5507 8.8865 8.8865 9.8419 9.8419 9.9029 9.9029 10.7462 10.7462 11.9378 11.9378 12.0145 12.0145 15.5812 15.5812 15.8555 15.8555 15.8575 15.8575 16.1894 16.1894 k = 0.3704 0.1037 0.0630 ( 2127 PWs) bands (ev): -48.6061 -48.6061 -22.8541 -22.8541 -21.2571 -21.2571 -15.2209 -15.2209 -14.9517 -14.9517 -4.2712 -4.2712 -3.0016 -3.0016 -2.3669 -2.3669 -0.4387 -0.4387 0.6081 0.6081 8.8283 8.8283 9.8334 9.8334 9.8943 9.8943 10.8255 10.8255 11.9568 11.9568 12.0342 12.0342 15.5490 15.5490 15.8387 15.8387 15.8525 15.8525 16.2097 16.2097 k = 0.3519 0.0985 0.0599 ( 2133 PWs) bands (ev): -48.6061 -48.6061 -22.8541 -22.8541 -21.2572 -21.2572 -15.2213 -15.2213 -14.9517 -14.9517 -4.2632 -4.2632 -2.9987 -2.9987 -2.3669 -2.3669 -0.5010 -0.5010 0.6655 0.6655 8.7678 8.7678 9.8240 9.8240 9.8848 9.8848 10.9100 10.9100 11.9780 11.9780 12.0561 12.0561 15.5170 15.5170 15.8202 15.8202 15.8433 15.8433 16.2301 16.2301 k = 0.3333 0.0934 0.0567 ( 2133 PWs) bands (ev): -48.6061 -48.6061 -22.8540 -22.8540 -21.2572 -21.2572 -15.2216 -15.2216 -14.9517 -14.9517 -4.2544 -4.2544 -2.9954 -2.9954 -2.3669 -2.3669 -0.5632 -0.5632 0.7221 0.7221 8.7062 8.7062 9.8139 9.8139 9.8746 9.8746 10.9985 10.9985 12.0011 12.0011 12.0799 12.0799 15.4853 15.4853 15.8005 15.8005 15.8309 15.8309 16.2492 16.2492 k = 0.3148 0.0882 0.0536 ( 2133 PWs) bands (ev): -48.6061 -48.6061 -22.8539 -22.8539 -21.2573 -21.2573 -15.2220 -15.2220 -14.9517 -14.9517 -4.2449 -4.2449 -2.9918 -2.9918 -2.3668 -2.3668 -0.6248 -0.6248 0.7776 0.7776 8.6444 8.6444 9.8034 9.8034 9.8639 9.8639 11.0899 11.0899 12.0257 12.0257 12.1054 12.1054 15.4538 15.4538 15.7798 15.7798 15.8160 15.8160 16.2660 16.2660 k = 0.2963 0.0830 0.0504 ( 2127 PWs) bands (ev): -48.6061 -48.6061 -22.8537 -22.8537 -21.2573 -21.2573 -15.2223 -15.2223 -14.9517 -14.9517 -4.2349 -4.2349 -2.9878 -2.9878 -2.3668 -2.3668 -0.6853 -0.6853 0.8316 0.8316 8.5833 8.5833 9.7924 9.7924 9.8528 9.8528 11.1831 11.1831 12.0516 12.0516 12.1323 12.1323 15.4224 15.4224 15.7584 15.7584 15.7993 15.7993 16.2792 16.2792 k = 0.2778 0.0778 0.0473 ( 2128 PWs) bands (ev): -48.6061 -48.6061 -22.8537 -22.8537 -21.2574 -21.2574 -15.2228 -15.2228 -14.9517 -14.9517 -4.2244 -4.2244 -2.9836 -2.9836 -2.3667 -2.3667 -0.7445 -0.7445 0.8837 0.8837 8.5234 8.5234 9.7813 9.7813 9.8415 9.8415 11.2773 11.2773 12.0783 12.0783 12.1600 12.1600 15.3912 15.3912 15.7366 15.7366 15.7815 15.7815 16.2881 16.2881 k = 0.2593 0.0726 0.0441 ( 2128 PWs) bands (ev): -48.6061 -48.6061 -22.8536 -22.8536 -21.2575 -21.2575 -15.2232 -15.2232 -14.9517 -14.9517 -4.2136 -4.2136 -2.9790 -2.9790 -2.3667 -2.3667 -0.8019 -0.8019 0.9337 0.9337 8.4654 8.4654 9.7701 9.7701 9.8302 9.8302 11.3716 11.3716 12.1056 12.1056 12.1884 12.1884 15.3600 15.3600 15.7148 15.7148 15.7628 15.7628 16.2923 16.2923 k = 0.2407 0.0674 0.0410 ( 2137 PWs) bands (ev): -48.6061 -48.6061 -22.8536 -22.8536 -21.2575 -21.2575 -15.2237 -15.2237 -14.9518 -14.9518 -4.2027 -4.2027 -2.9742 -2.9742 -2.3666 -2.3666 -0.8572 -0.8572 0.9814 0.9814 8.4098 8.4098 9.7590 9.7590 9.8191 9.8191 11.4653 11.4653 12.1332 12.1332 12.2170 12.2170 15.3288 15.3288 15.6932 15.6932 15.7438 15.7438 16.2917 16.2917 k = 0.2222 0.0622 0.0378 ( 2134 PWs) bands (ev): -48.6061 -48.6061 -22.8534 -22.8534 -21.2576 -21.2576 -15.2241 -15.2241 -14.9518 -14.9518 -4.1917 -4.1917 -2.9692 -2.9692 -2.3666 -2.3666 -0.9102 -0.9102 1.0265 1.0265 8.3568 8.3568 9.7482 9.7482 9.8082 9.8082 11.5575 11.5575 12.1606 12.1606 12.2455 12.2455 15.2975 15.2975 15.6721 15.6721 15.7248 15.7248 16.2864 16.2864 k = 0.2037 0.0571 0.0347 ( 2137 PWs) bands (ev): -48.6061 -48.6061 -22.8534 -22.8534 -21.2576 -21.2576 -15.2245 -15.2245 -14.9518 -14.9518 -4.1809 -4.1809 -2.9640 -2.9640 -2.3665 -2.3665 -0.9605 -0.9605 1.0688 1.0688 8.3069 8.3069 9.7378 9.7378 9.7977 9.7977 11.6475 11.6475 12.1875 12.1875 12.2734 12.2734 15.2661 15.2661 15.6518 15.6518 15.7062 15.7062 16.2771 16.2771 k = 0.1852 0.0519 0.0315 ( 2137 PWs) bands (ev): -48.6061 -48.6061 -22.8533 -22.8533 -21.2577 -21.2577 -15.2250 -15.2250 -14.9518 -14.9518 -4.1704 -4.1704 -2.9588 -2.9588 -2.3665 -2.3665 -1.0079 -1.0079 1.1082 1.1082 8.2603 8.2603 9.7278 9.7278 9.7877 9.7877 11.7344 11.7344 12.2135 12.2135 12.3005 12.3005 15.2348 15.2348 15.6324 15.6324 15.6882 15.6882 16.2644 16.2644 k = 0.1667 0.0467 0.0284 ( 2137 PWs) bands (ev): -48.6061 -48.6061 -22.8532 -22.8532 -21.2578 -21.2578 -15.2254 -15.2254 -14.9518 -14.9518 -4.1603 -4.1603 -2.9536 -2.9536 -2.3664 -2.3664 -1.0519 -1.0519 1.1443 1.1443 8.2174 8.2174 9.7185 9.7185 9.7783 9.7783 11.8174 11.8174 12.2385 12.2385 12.3263 12.3263 15.2037 15.2037 15.6141 15.6141 15.6710 15.6710 16.2493 16.2493 k = 0.1481 0.0415 0.0252 ( 2143 PWs) bands (ev): -48.6061 -48.6061 -22.8532 -22.8532 -21.2578 -21.2578 -15.2258 -15.2258 -14.9519 -14.9519 -4.1508 -4.1508 -2.9485 -2.9485 -2.3664 -2.3664 -1.0924 -1.0924 1.1772 1.1772 8.1784 8.1784 9.7100 9.7100 9.7697 9.7697 11.8954 11.8954 12.2620 12.2620 12.3505 12.3505 15.1732 15.1732 15.5972 15.5972 15.6550 15.6550 16.2329 16.2329 k = 0.1296 0.0363 0.0221 ( 2140 PWs) bands (ev): -48.6061 -48.6061 -22.8531 -22.8531 -21.2579 -21.2579 -15.2261 -15.2261 -14.9519 -14.9519 -4.1420 -4.1420 -2.9437 -2.9437 -2.3663 -2.3663 -1.1290 -1.1290 1.2066 1.2066 8.1435 8.1435 9.7022 9.7022 9.7619 9.7619 11.9675 11.9675 12.2838 12.2838 12.3728 12.3728 15.1437 15.1437 15.5819 15.5819 15.6404 15.6404 16.2161 16.2161 k = 0.1111 0.0311 0.0189 ( 2140 PWs) bands (ev): -48.6061 -48.6061 -22.8530 -22.8530 -21.2579 -21.2579 -15.2264 -15.2264 -14.9519 -14.9519 -4.1341 -4.1341 -2.9391 -2.9391 -2.3663 -2.3663 -1.1614 -1.1614 1.2324 1.2324 8.1129 8.1129 9.6953 9.6953 9.7550 9.7550 12.0326 12.0326 12.3036 12.3036 12.3928 12.3928 15.1158 15.1158 15.5683 15.5683 15.6273 15.6273 16.1999 16.1999 k = 0.0926 0.0259 0.0158 ( 2140 PWs) bands (ev): -48.6061 -48.6061 -22.8530 -22.8530 -21.2579 -21.2579 -15.2267 -15.2267 -14.9519 -14.9519 -4.1272 -4.1272 -2.9350 -2.9350 -2.3663 -2.3663 -1.1894 -1.1894 1.2544 1.2544 8.0867 8.0867 9.6894 9.6894 9.7490 9.7490 12.0897 12.0897 12.3212 12.3212 12.4103 12.4103 15.0903 15.0903 15.5565 15.5565 15.6159 15.6159 16.1849 16.1849 k = 0.0741 0.0207 0.0126 ( 2143 PWs) bands (ev): -48.6061 -48.6061 -22.8529 -22.8529 -21.2580 -21.2580 -15.2269 -15.2269 -14.9519 -14.9519 -4.1214 -4.1214 -2.9315 -2.9315 -2.3663 -2.3663 -1.2127 -1.2127 1.2726 1.2726 8.0650 8.0650 9.6844 9.6844 9.7441 9.7441 12.1378 12.1378 12.3363 12.3363 12.4250 12.4250 15.0679 15.0679 15.5467 15.5467 15.6064 15.6064 16.1720 16.1720 k = 0.0556 0.0156 0.0095 ( 2143 PWs) bands (ev): -48.6061 -48.6061 -22.8529 -22.8529 -21.2580 -21.2580 -15.2271 -15.2271 -14.9519 -14.9519 -4.1168 -4.1168 -2.9286 -2.9286 -2.3662 -2.3662 -1.2310 -1.2310 1.2868 1.2868 8.0481 8.0481 9.6805 9.6805 9.7402 9.7402 12.1759 12.1759 12.3487 12.3487 12.4366 12.4366 15.0494 15.0494 15.5390 15.5390 15.5988 15.5988 16.1614 16.1614 k = 0.0370 0.0104 0.0063 ( 2149 PWs) bands (ev): -48.6061 -48.6061 -22.8529 -22.8529 -21.2580 -21.2580 -15.2273 -15.2273 -14.9519 -14.9519 -4.1134 -4.1134 -2.9265 -2.9265 -2.3662 -2.3662 -1.2443 -1.2443 1.2970 1.2970 8.0359 8.0359 9.6777 9.6777 9.7374 9.7374 12.2035 12.2035 12.3580 12.3580 12.4451 12.4451 15.0355 15.0355 15.5334 15.5334 15.5934 15.5934 16.1536 16.1536 k = 0.0185 0.0052 0.0032 ( 2149 PWs) bands (ev): -48.6061 -48.6061 -22.8529 -22.8529 -21.2580 -21.2580 -15.2273 -15.2273 -14.9519 -14.9519 -4.1114 -4.1114 -2.9252 -2.9252 -2.3662 -2.3662 -1.2523 -1.2523 1.3032 1.3032 8.0286 8.0286 9.6761 9.6761 9.7357 9.7357 12.2202 12.2202 12.3638 12.3638 12.4502 12.4502 15.0269 15.0269 15.5300 15.5300 15.5901 15.5901 16.1489 16.1489 k = 0.0000 0.0000 0.0000 ( 2137 PWs) bands (ev): -48.6061 -48.6061 -22.8528 -22.8528 -21.2580 -21.2580 -15.2272 -15.2272 -14.9519 -14.9519 -4.1107 -4.1107 -2.9248 -2.9248 -2.3662 -2.3662 -1.2550 -1.2550 1.3052 1.3052 8.0262 8.0262 9.6755 9.6755 9.7351 9.7351 12.2257 12.2257 12.3658 12.3658 12.4519 12.4519 15.0240 15.0240 15.5289 15.5289 15.5890 15.5890 16.1473 16.1473 k = 0.0000 0.0000 0.0000 ( 2137 PWs) bands (ev): -48.6061 -48.6061 -22.8528 -22.8528 -21.2580 -21.2580 -15.2272 -15.2272 -14.9519 -14.9519 -4.1107 -4.1107 -2.9248 -2.9248 -2.3662 -2.3662 -1.2550 -1.2550 1.3052 1.3052 8.0262 8.0262 9.6755 9.6755 9.7351 9.7351 12.2257 12.2257 12.3658 12.3658 12.4519 12.4519 15.0240 15.0240 15.5289 15.5289 15.5890 15.5890 16.1473 16.1473 k = 0.0053-0.0087-0.0167 ( 2145 PWs) bands (ev): -48.6061 -48.6061 -22.8529 -22.8529 -21.2579 -21.2579 -15.2274 -15.2274 -14.9522 -14.9522 -4.1106 -4.1106 -2.9256 -2.9256 -2.3676 -2.3676 -1.2529 -1.2529 1.3041 1.3041 8.0282 8.0282 9.6760 9.6760 9.7357 9.7357 12.2239 12.2239 12.3614 12.3614 12.4471 12.4471 15.0263 15.0263 15.5303 15.5303 15.5907 15.5907 16.1517 16.1517 k = 0.0105-0.0173-0.0334 ( 2143 PWs) bands (ev): -48.6060 -48.6060 -22.8531 -22.8531 -21.2574 -21.2574 -15.2274 -15.2274 -14.9531 -14.9531 -4.1102 -4.1102 -2.9280 -2.9280 -2.3718 -2.3718 -1.2466 -1.2466 1.3006 1.3006 8.0342 8.0342 9.6776 9.6776 9.7376 9.7376 12.2185 12.2185 12.3474 12.3474 12.4336 12.4336 15.0332 15.0332 15.5343 15.5343 15.5963 15.5963 16.1651 16.1651 k = 0.0158-0.0260-0.0501 ( 2141 PWs) bands (ev): -48.6060 -48.6060 -22.8534 -22.8534 -21.2565 -21.2565 -15.2276 -15.2276 -14.9546 -14.9546 -4.1095 -4.1095 -2.9320 -2.9320 -2.3786 -2.3786 -1.2363 -1.2363 1.2949 1.2949 8.0443 8.0443 9.6802 9.6802 9.7407 9.7407 12.2092 12.2092 12.3225 12.3225 12.4138 12.4138 15.0446 15.0446 15.5396 15.5396 15.6063 15.6063 16.1871 16.1871 k = 0.0211-0.0347-0.0667 ( 2141 PWs) bands (ev): -48.6058 -48.6058 -22.8539 -22.8539 -21.2553 -21.2553 -15.2278 -15.2278 -14.9567 -14.9567 -4.1086 -4.1086 -2.9376 -2.9376 -2.3879 -2.3879 -1.2220 -1.2220 1.2869 1.2869 8.0583 8.0583 9.6837 9.6837 9.7452 9.7452 12.1947 12.1947 12.2861 12.2861 12.3904 12.3904 15.0603 15.0603 15.5453 15.5453 15.6214 15.6214 16.2176 16.2176 k = 0.0263-0.0433-0.0834 ( 2137 PWs) bands (ev): -48.6057 -48.6057 -22.8545 -22.8545 -21.2538 -21.2538 -15.2281 -15.2281 -14.9594 -14.9594 -4.1075 -4.1075 -2.9449 -2.9449 -2.3994 -2.3994 -1.2041 -1.2041 1.2767 1.2767 8.0761 8.0761 9.6880 9.6880 9.7511 9.7511 12.1718 12.1718 12.2413 12.2413 12.3651 12.3651 15.0801 15.0801 15.5507 15.5507 15.6414 15.6414 16.2559 16.2559 k = 0.0316-0.0520-0.1001 ( 2143 PWs) bands (ev): -48.6055 -48.6055 -22.8553 -22.8553 -21.2519 -21.2519 -15.2285 -15.2285 -14.9627 -14.9627 -4.1063 -4.1063 -2.9538 -2.9538 -2.4128 -2.4128 -1.1827 -1.1827 1.2643 1.2643 8.0978 8.0978 9.6929 9.6929 9.7585 9.7585 12.1304 12.1304 12.1995 12.1995 12.3381 12.3381 15.1039 15.1039 15.5558 15.5558 15.6658 15.6658 16.3015 16.3015 k = 0.0369-0.0606-0.1168 ( 2145 PWs) bands (ev): -48.6053 -48.6053 -22.8562 -22.8562 -21.2497 -21.2497 -15.2289 -15.2289 -14.9666 -14.9666 -4.1048 -4.1048 -2.9643 -2.9643 -2.4279 -2.4279 -1.1581 -1.1581 1.2499 1.2499 8.1232 8.1232 9.6982 9.6982 9.7674 9.7674 12.0654 12.0654 12.1675 12.1675 12.3092 12.3092 15.1313 15.1313 15.5611 15.5611 15.6940 15.6940 16.3532 16.3532 k = 0.0421-0.0693-0.1335 ( 2141 PWs) bands (ev): -48.6050 -48.6050 -22.8571 -22.8571 -21.2472 -21.2472 -15.2294 -15.2294 -14.9709 -14.9709 -4.1033 -4.1033 -2.9764 -2.9764 -2.4442 -2.4442 -1.1305 -1.1305 1.2334 1.2334 8.1521 8.1521 9.7038 9.7038 9.7779 9.7779 11.9850 11.9850 12.1387 12.1387 12.2786 12.2786 15.1620 15.1620 15.5667 15.5667 15.7253 15.7253 16.4101 16.4101 k = 0.0474-0.0780-0.1502 ( 2133 PWs) bands (ev): -48.6047 -48.6047 -22.8582 -22.8582 -21.2444 -21.2444 -15.2300 -15.2300 -14.9757 -14.9757 -4.1018 -4.1018 -2.9900 -2.9900 -2.4615 -2.4615 -1.1001 -1.1001 1.2150 1.2150 8.1844 8.1844 9.7096 9.7096 9.7900 9.7900 11.8952 11.8952 12.1083 12.1083 12.2466 12.2466 15.1957 15.1957 15.5730 15.5730 15.7595 15.7595 16.4709 16.4709 k = 0.0527-0.0866-0.1669 ( 2139 PWs) bands (ev): -48.6044 -48.6044 -22.8595 -22.8595 -21.2413 -21.2413 -15.2307 -15.2307 -14.9810 -14.9810 -4.1003 -4.1003 -3.0052 -3.0052 -2.4795 -2.4795 -1.0673 -1.0673 1.1947 1.1947 8.2201 8.2201 9.7153 9.7153 9.8036 9.8036 11.7987 11.7987 12.0749 12.0749 12.2137 12.2137 15.2319 15.2319 15.5802 15.5802 15.7964 15.7964 16.5343 16.5343 k = 0.0579-0.0953-0.1836 ( 2137 PWs) bands (ev): -48.6041 -48.6041 -22.8608 -22.8608 -21.2379 -21.2379 -15.2315 -15.2315 -14.9868 -14.9868 -4.0988 -4.0988 -3.0217 -3.0217 -2.4980 -2.4980 -1.0322 -1.0322 1.1726 1.1726 8.2588 8.2588 9.7209 9.7209 9.8187 9.8187 11.6972 11.6972 12.0377 12.0377 12.1804 12.1804 15.2704 15.2704 15.5886 15.5886 15.8360 15.8360 16.5993 16.5993 k = 0.0632-0.1040-0.2002 ( 2137 PWs) bands (ev): -48.6037 -48.6037 -22.8623 -22.8623 -21.2342 -21.2342 -15.2325 -15.2325 -14.9929 -14.9929 -4.0976 -4.0976 -3.0396 -3.0396 -2.5168 -2.5168 -0.9950 -0.9950 1.1489 1.1489 8.3005 8.3005 9.7264 9.7264 9.8351 9.8351 11.5920 11.5920 11.9965 11.9965 12.1472 12.1472 15.3105 15.3105 15.5982 15.5982 15.8783 15.8783 16.6645 16.6645 k = 0.0685-0.1126-0.2169 ( 2139 PWs) bands (ev): -48.6033 -48.6033 -22.8639 -22.8639 -21.2303 -21.2303 -15.2335 -15.2335 -14.9995 -14.9995 -4.0967 -4.0967 -3.0586 -3.0586 -2.5356 -2.5356 -0.9559 -0.9559 1.1237 1.1237 8.3449 8.3449 9.7315 9.7315 9.8527 9.8527 11.4840 11.4840 11.9515 11.9515 12.1143 12.1143 15.3518 15.3518 15.6093 15.6093 15.9234 15.9234 16.7292 16.7292 k = 0.0737-0.1213-0.2336 ( 2137 PWs) bands (ev): -48.6029 -48.6029 -22.8656 -22.8656 -21.2260 -21.2260 -15.2347 -15.2347 -15.0063 -15.0063 -4.0961 -4.0961 -3.0785 -3.0785 -2.5544 -2.5544 -0.9151 -0.9151 1.0970 1.0970 8.3919 8.3919 9.7363 9.7363 9.8713 9.8713 11.3743 11.3743 11.9029 11.9029 12.0818 12.0818 15.3939 15.3939 15.6221 15.6221 15.9711 15.9711 16.7924 16.7924 k = 0.0790-0.1300-0.2503 ( 2139 PWs) bands (ev): -48.6024 -48.6024 -22.8674 -22.8674 -21.2216 -21.2216 -15.2361 -15.2361 -15.0135 -15.0135 -4.0960 -4.0960 -3.0993 -3.0993 -2.5731 -2.5731 -0.8728 -0.8728 1.0690 1.0690 8.4412 8.4412 9.7407 9.7407 9.8906 9.8906 11.2637 11.2637 11.8514 11.8514 12.0497 12.0497 15.4360 15.4360 15.6367 15.6367 16.0215 16.0215 16.8533 16.8533 k = 0.0843-0.1386-0.2670 ( 2141 PWs) bands (ev): -48.6019 -48.6019 -22.8693 -22.8693 -21.2169 -21.2169 -15.2376 -15.2376 -15.0209 -15.0209 -4.0966 -4.0966 -3.1205 -3.1205 -2.5916 -2.5916 -0.8290 -0.8290 1.0399 1.0399 8.4925 8.4925 9.7446 9.7446 9.9103 9.9103 11.1530 11.1530 11.7972 11.7972 12.0180 12.0180 15.4777 15.4777 15.6536 15.6536 16.0743 16.0743 16.9111 16.9111 k = 0.0895-0.1473-0.2837 ( 2141 PWs) bands (ev): -48.6015 -48.6015 -22.8712 -22.8712 -21.2120 -21.2120 -15.2393 -15.2393 -15.0285 -15.0285 -4.0979 -4.0979 -3.1420 -3.1420 -2.6098 -2.6098 -0.7841 -0.7841 1.0097 1.0097 8.5457 8.5457 9.7479 9.7479 9.9299 9.9299 11.0431 11.0431 11.7410 11.7410 11.9868 11.9868 15.5183 15.5183 15.6729 15.6729 16.1292 16.1292 16.9645 16.9645 k = 0.0948-0.1559-0.3004 ( 2141 PWs) bands (ev): -48.6009 -48.6009 -22.8733 -22.8733 -21.2068 -21.2068 -15.2411 -15.2411 -15.0362 -15.0362 -4.1000 -4.1000 -3.1634 -3.1634 -2.6277 -2.6277 -0.7380 -0.7380 0.9785 0.9785 8.6005 8.6005 9.7507 9.7507 9.9488 9.9488 10.9351 10.9351 11.6830 11.6830 11.9560 11.9560 15.5573 15.5573 15.6948 15.6948 16.1860 16.1860 17.0100 17.0100 k = 0.1001-0.1646-0.3170 ( 2147 PWs) bands (ev): -48.6004 -48.6004 -22.8755 -22.8755 -21.2015 -21.2015 -15.2432 -15.2432 -15.0441 -15.0441 -4.1032 -4.1032 -3.1846 -3.1846 -2.6455 -2.6455 -0.6909 -0.6909 0.9466 0.9466 8.6566 8.6566 9.7527 9.7527 9.9661 9.9661 10.8301 10.8301 11.6239 11.6239 11.9257 11.9257 15.5940 15.5940 15.7197 15.7197 16.2442 16.2442 17.0379 17.0379 k = 0.1053-0.1733-0.3337 ( 2145 PWs) bands (ev): -48.5999 -48.5999 -22.8776 -22.8776 -21.1960 -21.1960 -15.2455 -15.2455 -15.0520 -15.0520 -4.1075 -4.1075 -3.2052 -3.2052 -2.6629 -2.6629 -0.6430 -0.6430 0.9140 0.9140 8.7137 8.7137 9.7541 9.7541 9.9805 9.9805 10.7298 10.7298 11.5638 11.5638 11.8960 11.8960 15.6284 15.6284 15.7473 15.7473 16.3032 16.3032 17.0333 17.0333 k = 0.1106-0.1819-0.3504 ( 2149 PWs) bands (ev): -48.5993 -48.5993 -22.8799 -22.8799 -21.1904 -21.1904 -15.2480 -15.2480 -15.0600 -15.0600 -4.1130 -4.1130 -3.2249 -3.2249 -2.6802 -2.6802 -0.5944 -0.5944 0.8809 0.8809 8.7715 8.7715 9.7547 9.7547 9.9900 9.9900 10.6364 10.6364 11.5031 11.5031 11.8670 11.8670 15.6606 15.6606 15.7772 15.7772 16.3626 16.3626 17.0022 17.0022 k = 0.1158-0.1906-0.3671 ( 2151 PWs) bands (ev): -48.5987 -48.5987 -22.8822 -22.8822 -21.1846 -21.1846 -15.2508 -15.2508 -15.0679 -15.0679 -4.1199 -4.1199 -3.2436 -3.2436 -2.6972 -2.6972 -0.5452 -0.5452 0.8473 0.8473 8.8296 8.8296 9.7545 9.7545 9.9917 9.9917 10.5532 10.5532 11.4422 11.4422 11.8388 11.8388 15.6909 15.6909 15.8085 15.8085 16.4217 16.4217 16.9614 16.9614 k = 0.1211-0.1993-0.3838 ( 2149 PWs) bands (ev): -48.5981 -48.5981 -22.8846 -22.8846 -21.1787 -21.1787 -15.2538 -15.2538 -15.0757 -15.0757 -4.1281 -4.1281 -3.2610 -3.2610 -2.7141 -2.7141 -0.4956 -0.4956 0.8135 0.8135 8.8876 8.8876 9.7535 9.7535 9.9816 9.9816 10.4844 10.4844 11.3812 11.3812 11.8114 11.8114 15.7202 15.7202 15.8402 15.8402 16.4802 16.4802 16.9185 16.9185 k = 0.1264-0.2079-0.4005 ( 2149 PWs) bands (ev): -48.5975 -48.5975 -22.8869 -22.8869 -21.1727 -21.1727 -15.2570 -15.2570 -15.0834 -15.0834 -4.1378 -4.1378 -3.2770 -3.2770 -2.7308 -2.7308 -0.4456 -0.4456 0.7796 0.7796 8.9450 8.9450 9.7517 9.7517 9.9561 9.9561 10.4341 10.4341 11.3205 11.3205 11.7849 11.7849 15.7487 15.7487 15.8715 15.8715 16.5376 16.5376 16.8761 16.8761 k = 0.1316-0.2166-0.4172 ( 2153 PWs) bands (ev): -48.5969 -48.5969 -22.8894 -22.8894 -21.1666 -21.1666 -15.2605 -15.2605 -15.0910 -15.0910 -4.1490 -4.1490 -3.2914 -3.2914 -2.7473 -2.7473 -0.3955 -0.3955 0.7456 0.7456 9.0010 9.0010 9.7491 9.7491 9.9144 9.9144 10.4038 10.4038 11.2602 11.2602 11.7594 11.7594 15.7770 15.7770 15.9016 15.9016 16.5939 16.5939 16.8354 16.8354 k = 0.1369-0.2252-0.4339 ( 2159 PWs) bands (ev): -48.5963 -48.5963 -22.8919 -22.8919 -21.1604 -21.1604 -15.2643 -15.2643 -15.0984 -15.0984 -4.1615 -4.1615 -3.3041 -3.3041 -2.7637 -2.7637 -0.3454 -0.3454 0.7118 0.7118 9.0547 9.0547 9.7453 9.7453 9.8600 9.8600 10.3909 10.3909 11.2007 11.2007 11.7350 11.7350 15.8051 15.8051 15.9299 15.9299 16.6489 16.6489 16.7969 16.7969 k = 0.1422-0.2339-0.4505 ( 2159 PWs) bands (ev): -48.5957 -48.5957 -22.8944 -22.8944 -21.1542 -21.1542 -15.2683 -15.2683 -15.1056 -15.1056 -4.1754 -4.1754 -3.3153 -3.3153 -2.7798 -2.7798 -0.2954 -0.2954 0.6782 0.6782 9.1045 9.1045 9.7391 9.7391 9.8003 9.8003 10.3907 10.3907 11.1420 11.1420 11.7116 11.7116 15.8331 15.8331 15.9562 15.9562 16.7021 16.7021 16.7618 16.7618 k = 0.1474-0.2426-0.4672 ( 2161 PWs) bands (ev): -48.5951 -48.5951 -22.8969 -22.8969 -21.1479 -21.1479 -15.2725 -15.2725 -15.1126 -15.1126 -4.1905 -4.1905 -3.3249 -3.3249 -2.7958 -2.7958 -0.2456 -0.2456 0.6449 0.6449 9.1481 9.1481 9.7186 9.7186 9.7540 9.7540 10.3985 10.3985 11.0844 11.0844 11.6894 11.6894 15.8605 15.8605 15.9804 15.9804 16.7219 16.7219 16.7622 16.7622 k = 0.1527-0.2512-0.4839 ( 2159 PWs) bands (ev): -48.5945 -48.5945 -22.8993 -22.8993 -21.1417 -21.1417 -15.2770 -15.2770 -15.1193 -15.1193 -4.2067 -4.2067 -3.3331 -3.3331 -2.8115 -2.8115 -0.1963 -0.1963 0.6122 0.6122 9.1816 9.1816 9.6713 9.6713 9.7406 9.7406 10.4112 10.4112 11.0281 11.0281 11.6682 11.6682 15.8869 15.8869 16.0030 16.0030 16.6931 16.6931 16.8140 16.8140 k = 0.1580-0.2599-0.5006 ( 2159 PWs) bands (ev): -48.5939 -48.5939 -22.9018 -22.9018 -21.1354 -21.1354 -15.2816 -15.2816 -15.1258 -15.1258 -4.2238 -4.2238 -3.3399 -3.3399 -2.8269 -2.8269 -0.1475 -0.1475 0.5800 0.5800 9.1991 9.1991 9.6307 9.6307 9.7345 9.7345 10.4264 10.4264 10.9733 10.9733 11.6481 11.6481 15.9111 15.9111 16.0250 16.0250 16.6648 16.6648 16.8685 16.8685 k = 0.1632-0.2686-0.5173 ( 2163 PWs) bands (ev): -48.5932 -48.5932 -22.9043 -22.9043 -21.1292 -21.1292 -15.2864 -15.2864 -15.1320 -15.1320 -4.2416 -4.2416 -3.3457 -3.3457 -2.8419 -2.8419 -0.0995 -0.0995 0.5486 0.5486 9.1950 9.1950 9.6098 9.6098 9.7296 9.7296 10.4427 10.4427 10.9203 10.9203 11.6290 11.6290 15.9320 15.9320 16.0478 16.0478 16.6389 16.6389 16.9244 16.9244 k = 0.1685-0.2772-0.5340 ( 2165 PWs) bands (ev): -48.5926 -48.5926 -22.9067 -22.9067 -21.1229 -21.1229 -15.2913 -15.2913 -15.1380 -15.1380 -4.2599 -4.2599 -3.3505 -3.3505 -2.8565 -2.8565 -0.0523 -0.0523 0.5181 0.5181 9.1684 9.1684 9.6104 9.6104 9.7257 9.7257 10.4590 10.4590 10.8692 10.8692 11.6109 11.6109 15.9482 15.9482 16.0729 16.0729 16.6155 16.6155 16.9818 16.9818 k = 0.1738-0.2859-0.5507 ( 2167 PWs) bands (ev): -48.5920 -48.5920 -22.9092 -22.9092 -21.1168 -21.1168 -15.2963 -15.2963 -15.1438 -15.1438 -4.2786 -4.2786 -3.3547 -3.3547 -2.8705 -2.8705 -0.0062 -0.0062 0.4885 0.4885 9.1249 9.1249 9.6269 9.6269 9.7235 9.7235 10.4745 10.4745 10.8206 10.8206 11.5938 11.5938 15.9590 15.9590 16.1014 16.1014 16.5946 16.5946 17.0410 17.0410 k = 0.1790-0.2946-0.5673 ( 2167 PWs) bands (ev): -48.5914 -48.5914 -22.9115 -22.9115 -21.1107 -21.1107 -15.3014 -15.3014 -15.1494 -15.1494 -4.2973 -4.2973 -3.3585 -3.3585 -2.8840 -2.8840 0.0387 0.0387 0.4599 0.4599 9.0716 9.0716 9.6497 9.6497 9.7255 9.7255 10.4883 10.4883 10.7748 10.7748 11.5775 11.5775 15.9649 15.9649 16.1332 16.1332 16.5762 16.5762 17.1020 17.1020 k = 0.1843-0.3032-0.5840 ( 2163 PWs) bands (ev): -48.5908 -48.5908 -22.9138 -22.9138 -21.1047 -21.1047 -15.3063 -15.3063 -15.1547 -15.1547 -4.3159 -4.3159 -3.3621 -3.3621 -2.8966 -2.8966 0.0822 0.0822 0.4326 0.4326 9.0141 9.0141 9.6686 9.6686 9.7367 9.7367 10.4994 10.4994 10.7328 10.7328 11.5620 11.5620 15.9667 15.9667 16.1680 16.1680 16.5602 16.5602 17.1648 17.1648 k = 0.1896-0.3119-0.6007 ( 2165 PWs) bands (ev): -48.5903 -48.5903 -22.9161 -22.9161 -21.0988 -21.0988 -15.3114 -15.3114 -15.1599 -15.1599 -4.3343 -4.3343 -3.3659 -3.3659 -2.9084 -2.9084 0.1240 0.1240 0.4067 0.4067 8.9557 8.9557 9.6772 9.6772 9.7603 9.7603 10.5062 10.5062 10.6961 10.6961 11.5472 11.5472 15.9651 15.9651 16.2053 16.2053 16.5465 16.5465 17.2294 17.2294 k = 0.1948-0.3205-0.6174 ( 2169 PWs) bands (ev): -48.5897 -48.5897 -22.9184 -22.9184 -21.0930 -21.0930 -15.3163 -15.3163 -15.1650 -15.1650 -4.3522 -4.3522 -3.3700 -3.3700 -2.9192 -2.9192 0.1639 0.1639 0.3824 0.3824 8.8983 8.8983 9.6789 9.6789 9.7908 9.7908 10.5066 10.5066 10.6668 10.6668 11.5331 11.5331 15.9611 15.9611 16.2447 16.2447 16.5352 16.5352 17.2954 17.2954 k = 0.2001-0.3292-0.6341 ( 2175 PWs) bands (ev): -48.5892 -48.5892 -22.9207 -22.9207 -21.0874 -21.0874 -15.3212 -15.3212 -15.1700 -15.1700 -4.3695 -4.3695 -3.3748 -3.3748 -2.9288 -2.9288 0.2015 0.2015 0.3600 0.3600 8.8432 8.8432 9.6781 9.6781 9.8226 9.8226 10.4981 10.4981 10.6476 10.6476 11.5194 11.5194 15.9553 15.9553 16.2860 16.2860 16.5261 16.5261 17.3626 17.3626 k = 0.2054-0.3379-0.6508 ( 2177 PWs) bands (ev): -48.5886 -48.5886 -22.9228 -22.9228 -21.0819 -21.0819 -15.3258 -15.3258 -15.1748 -15.1748 -4.3860 -4.3860 -3.3804 -3.3804 -2.9373 -2.9373 0.2356 0.2356 0.3406 0.3406 8.7913 8.7913 9.6767 9.6767 9.8526 9.8526 10.4806 10.4806 10.6388 10.6388 11.5062 11.5062 15.9480 15.9480 16.3289 16.3289 16.5192 16.5192 17.4304 17.4304 k = 0.2106-0.3465-0.6675 ( 2173 PWs) bands (ev): -48.5881 -48.5881 -22.9248 -22.9248 -21.0766 -21.0766 -15.3302 -15.3302 -15.1795 -15.1795 -4.4016 -4.4016 -3.3869 -3.3869 -2.9445 -2.9445 0.2630 0.2630 0.3274 0.3274 8.7431 8.7431 9.6753 9.6753 9.8796 9.8796 10.4569 10.4569 10.6379 10.6379 11.4932 11.4932 15.9398 15.9398 16.3729 16.3729 16.5148 16.5148 17.4982 17.4982 k = 0.2159-0.3552-0.6842 ( 2173 PWs) bands (ev): -48.5876 -48.5876 -22.9268 -22.9268 -21.0714 -21.0714 -15.3344 -15.3344 -15.1841 -15.1841 -4.4163 -4.4163 -3.3945 -3.3945 -2.9505 -2.9505 0.2731 0.2731 0.3309 0.3309 8.6989 8.6989 9.6743 9.6743 9.9023 9.9023 10.4304 10.4304 10.6417 10.6417 11.4805 11.4805 15.9309 15.9309 16.4173 16.4173 16.5136 16.5136 17.5650 17.5650 k = 0.2212-0.3639-0.7008 ( 2175 PWs) bands (ev): -48.5871 -48.5871 -22.9288 -22.9288 -21.0664 -21.0664 -15.3383 -15.3383 -15.1887 -15.1887 -4.4298 -4.4298 -3.4033 -3.4033 -2.9551 -2.9551 0.2656 0.2656 0.3514 0.3514 8.6592 8.6592 9.6740 9.6740 9.9202 9.9202 10.4033 10.4033 10.6482 10.6482 11.4680 11.4680 15.9216 15.9216 16.4587 16.4587 16.5187 16.5187 17.6292 17.6292 k = 0.2264-0.3725-0.7175 ( 2177 PWs) bands (ev): -48.5867 -48.5867 -22.9306 -22.9306 -21.0617 -21.0617 -15.3420 -15.3420 -15.1932 -15.1932 -4.4423 -4.4423 -3.4133 -3.4133 -2.9585 -2.9585 0.2534 0.2534 0.3760 0.3760 8.6242 8.6242 9.6742 9.6742 9.9328 9.9328 10.3771 10.3771 10.6563 10.6563 11.4554 11.4554 15.9119 15.9119 16.4857 16.4857 16.5416 16.5416 17.6881 17.6881 k = 0.2317-0.3812-0.7342 ( 2171 PWs) bands (ev): -48.5862 -48.5862 -22.9323 -22.9323 -21.0571 -21.0571 -15.3452 -15.3452 -15.1977 -15.1977 -4.4534 -4.4534 -3.4244 -3.4244 -2.9607 -2.9607 0.2411 0.2411 0.3998 0.3998 8.5941 8.5941 9.6752 9.6752 9.9397 9.9397 10.3525 10.3525 10.6655 10.6655 11.4428 11.4428 15.9020 15.9020 16.4959 16.4959 16.5845 16.5845 17.7379 17.7379 k = 0.2370-0.3899-0.7509 ( 2169 PWs) bands (ev): -48.5858 -48.5858 -22.9339 -22.9339 -21.0528 -21.0528 -15.3482 -15.3482 -15.2020 -15.2020 -4.4634 -4.4634 -3.4366 -3.4366 -2.9619 -2.9619 0.2299 0.2299 0.4217 0.4217 8.5689 8.5689 9.6766 9.6766 9.9409 9.9409 10.3299 10.3299 10.6753 10.6753 11.4300 11.4300 15.8920 15.8920 16.5016 16.5016 16.6351 16.6351 17.7733 17.7733 k = 0.2422-0.3985-0.7676 ( 2169 PWs) bands (ev): -48.5854 -48.5854 -22.9355 -22.9355 -21.0487 -21.0487 -15.3509 -15.3509 -15.2064 -15.2064 -4.4720 -4.4720 -3.4497 -3.4497 -2.9621 -2.9621 0.2203 0.2203 0.4413 0.4413 8.5490 8.5490 9.6785 9.6785 9.9366 9.9366 10.3096 10.3096 10.6855 10.6855 11.4169 11.4169 15.8820 15.8820 16.5071 16.5071 16.6891 16.6891 17.7900 17.7900 k = 0.2475-0.4072-0.7843 ( 2169 PWs) bands (ev): -48.5850 -48.5850 -22.9369 -22.9369 -21.0448 -21.0448 -15.3532 -15.3532 -15.2108 -15.2108 -4.4794 -4.4794 -3.4636 -3.4636 -2.9615 -2.9615 0.2125 0.2125 0.4582 0.4582 8.5342 8.5342 9.6805 9.6805 9.9271 9.9271 10.2917 10.2917 10.6956 10.6956 11.4036 11.4036 15.8721 15.8721 16.5134 16.5134 16.7453 16.7453 17.7881 17.7881 k = 0.2528-0.4158-0.8010 ( 2169 PWs) bands (ev): -48.5847 -48.5847 -22.9383 -22.9383 -21.0411 -21.0411 -15.3551 -15.3551 -15.2151 -15.2151 -4.4854 -4.4854 -3.4781 -3.4781 -2.9603 -2.9603 0.2065 0.2065 0.4724 0.4724 8.5247 8.5247 9.6823 9.6823 9.9130 9.9130 10.2765 10.2765 10.7055 10.7055 11.3898 11.3898 15.8622 15.8622 16.5208 16.5208 16.8035 16.8035 17.7709 17.7709 k = 0.2580-0.4245-0.8176 ( 2169 PWs) bands (ev): -48.5843 -48.5843 -22.9396 -22.9396 -21.0377 -21.0377 -15.3566 -15.3566 -15.2194 -15.2194 -4.4902 -4.4902 -3.4932 -3.4932 -2.9586 -2.9586 0.2023 0.2023 0.4839 0.4839 8.5205 8.5205 9.6831 9.6831 9.8951 9.8951 10.2642 10.2642 10.7146 10.7146 11.3756 11.3756 15.8524 15.8524 16.5295 16.5295 16.8635 16.8635 17.7425 17.7425 k = 0.2633-0.4332-0.8343 ( 2169 PWs) bands (ev): -48.5840 -48.5840 -22.9408 -22.9408 -21.0345 -21.0345 -15.3578 -15.3578 -15.2237 -15.2237 -4.4938 -4.4938 -3.5085 -3.5085 -2.9566 -2.9566 0.2001 0.2001 0.4925 0.4925 8.5217 8.5217 9.6820 9.6820 9.8746 9.8746 10.2550 10.2550 10.7226 10.7226 11.3609 11.3609 15.8427 15.8427 16.5394 16.5394 16.9250 16.9250 17.7060 17.7060 k = 0.2686-0.4418-0.8510 ( 2169 PWs) bands (ev): -48.5838 -48.5838 -22.9419 -22.9419 -21.0316 -21.0316 -15.3586 -15.3586 -15.2279 -15.2279 -4.4962 -4.4962 -3.5239 -3.5239 -2.9543 -2.9543 0.1998 0.1998 0.4983 0.4983 8.5281 8.5281 9.6775 9.6775 9.8531 9.8531 10.2491 10.2491 10.7293 10.7293 11.3456 11.3456 15.8329 15.8329 16.5507 16.5507 16.9881 16.9881 17.6635 17.6635 k = 0.2738-0.4505-0.8677 ( 2169 PWs) bands (ev): -48.5835 -48.5835 -22.9429 -22.9429 -21.0290 -21.0290 -15.3591 -15.3591 -15.2321 -15.2321 -4.4975 -4.4975 -3.5391 -3.5391 -2.9518 -2.9518 0.2014 0.2014 0.5013 0.5013 8.5397 8.5397 9.6675 9.6675 9.8327 9.8327 10.2469 10.2469 10.7342 10.7342 11.3296 11.3296 15.8231 15.8231 16.5634 16.5634 17.0523 17.0523 17.6166 17.6166 k = 0.2791-0.4592-0.8844 ( 2167 PWs) bands (ev): -48.5833 -48.5833 -22.9438 -22.9438 -21.0265 -21.0265 -15.3592 -15.3592 -15.2361 -15.2361 -4.4978 -4.4978 -3.5541 -3.5541 -2.9494 -2.9494 0.2049 0.2049 0.5015 0.5015 8.5565 8.5565 9.6498 9.6498 9.8160 9.8160 10.2485 10.2485 10.7371 10.7371 11.3131 11.3131 15.8130 15.8130 16.5775 16.5775 17.1172 17.1172 17.5670 17.5670 k = 0.2844-0.4678-0.9011 ( 2157 PWs) bands (ev): -48.5830 -48.5830 -22.9445 -22.9445 -21.0244 -21.0244 -15.3590 -15.3590 -15.2400 -15.2400 -4.4973 -4.4973 -3.5686 -3.5686 -2.9470 -2.9470 0.2103 0.2103 0.4991 0.4991 8.5784 8.5784 9.6231 9.6231 9.8042 9.8042 10.2543 10.2543 10.7379 10.7379 11.2958 11.2958 15.8023 15.8023 16.5929 16.5929 17.1816 17.1816 17.5168 17.5168 k = 0.2896-0.4765-0.9178 ( 2153 PWs) bands (ev): -48.5828 -48.5828 -22.9451 -22.9451 -21.0224 -21.0224 -15.3585 -15.3585 -15.2438 -15.2438 -4.4960 -4.4960 -3.5824 -3.5824 -2.9447 -2.9447 0.2175 0.2175 0.4940 0.4940 8.6052 8.6052 9.5879 9.5879 9.7971 9.7971 10.2644 10.2644 10.7364 10.7364 11.2778 11.2778 15.7907 15.7907 16.6098 16.6098 17.2415 17.2415 17.4706 17.4706 k = 0.2949-0.4851-0.9345 ( 2161 PWs) bands (ev): -48.5827 -48.5827 -22.9459 -22.9459 -21.0208 -21.0208 -15.3579 -15.3579 -15.2475 -15.2475 -4.4941 -4.4941 -3.5953 -3.5953 -2.9426 -2.9426 0.2265 0.2265 0.4864 0.4864 8.6368 8.6368 9.5458 9.5458 9.7933 9.7933 10.2787 10.2787 10.7325 10.7325 11.2591 11.2591 15.7775 15.7775 16.6280 16.6280 17.2835 17.2835 17.4432 17.4432 k = 0.3002-0.4938-0.9511 ( 2163 PWs) bands (ev): -48.5826 -48.5826 -22.9464 -22.9464 -21.0193 -21.0193 -15.3571 -15.3571 -15.2509 -15.2509 -4.4917 -4.4917 -3.6071 -3.6071 -2.9406 -2.9406 0.2371 0.2371 0.4764 0.4764 8.6730 8.6730 9.4982 9.4982 9.7916 9.7916 10.2973 10.2973 10.7262 10.7262 11.2397 11.2397 15.7622 15.7622 16.6476 16.6476 17.2804 17.2804 17.4628 17.4628 k = 0.3054-0.5025-0.9678 ( 2161 PWs) bands (ev): -48.5824 -48.5824 -22.9468 -22.9468 -21.0181 -21.0181 -15.3561 -15.3561 -15.2540 -15.2540 -4.4891 -4.4891 -3.6177 -3.6177 -2.9390 -2.9390 0.2492 0.2492 0.4643 0.4643 8.7135 8.7135 9.4463 9.4463 9.7912 9.7912 10.3199 10.3199 10.7175 10.7175 11.2196 11.2196 15.7438 15.7438 16.6684 16.6684 17.2433 17.2433 17.5194 17.5194 k = 0.3107-0.5111-0.9845 ( 2161 PWs) bands (ev): -48.5823 -48.5823 -22.9472 -22.9472 -21.0171 -21.0171 -15.3552 -15.3552 -15.2568 -15.2568 -4.4864 -4.4864 -3.6267 -3.6267 -2.9375 -2.9375 0.2626 0.2626 0.4503 0.4503 8.7582 8.7582 9.3911 9.3911 9.7916 9.7916 10.3466 10.3466 10.7066 10.7066 11.1989 11.1989 15.7213 15.7213 16.6903 16.6903 17.1977 17.1977 17.5891 17.5891 k = 0.3160-0.5198-1.0012 ( 2161 PWs) bands (ev): -48.5823 -48.5823 -22.9475 -22.9475 -21.0164 -21.0164 -15.3543 -15.3543 -15.2591 -15.2591 -4.4838 -4.4838 -3.6341 -3.6341 -2.9363 -2.9363 0.2768 0.2768 0.4349 0.4349 8.8068 8.8068 9.3332 9.3332 9.7926 9.7926 10.3769 10.3769 10.6935 10.6935 11.1776 11.1776 15.6936 15.6936 16.7132 16.7132 17.1531 17.1531 17.6642 17.6642 k = 0.3212-0.5285-1.0179 ( 2167 PWs) bands (ev): -48.5822 -48.5822 -22.9477 -22.9477 -21.0158 -21.0158 -15.3535 -15.3535 -15.2610 -15.2610 -4.4814 -4.4814 -3.6396 -3.6396 -2.9353 -2.9353 0.2912 0.2912 0.4188 0.4188 8.8588 8.8588 9.2731 9.2731 9.7941 9.7941 10.4107 10.4107 10.6786 10.6786 11.1558 11.1558 15.6594 15.6594 16.7367 16.7367 17.1134 17.1134 17.7422 17.7422 k = 0.3265-0.5371-1.0346 ( 2165 PWs) bands (ev): -48.5822 -48.5822 -22.9478 -22.9478 -21.0155 -21.0155 -15.3530 -15.3530 -15.2622 -15.2622 -4.4796 -4.4796 -3.6431 -3.6431 -2.9345 -2.9345 0.3039 0.3039 0.4039 0.4039 8.9137 8.9137 9.2115 9.2115 9.7961 9.7961 10.4477 10.4477 10.6620 10.6620 11.1335 11.1335 15.6178 15.6178 16.7606 16.7606 17.0812 17.0812 17.8224 17.8224 k = 0.3318-0.5458-1.0513 ( 2167 PWs) bands (ev): -48.5822 -48.5822 -22.9479 -22.9479 -21.0153 -21.0153 -15.3528 -15.3528 -15.2627 -15.2627 -4.4783 -4.4783 -3.6446 -3.6446 -2.9339 -2.9339 0.3110 0.3110 0.3943 0.3943 8.9701 8.9701 9.1498 9.1498 9.7985 9.7985 10.4875 10.4875 10.6441 10.6441 11.1108 11.1108 15.5678 15.5678 16.7843 16.7843 17.0583 17.0583 17.9041 17.9041 k = 0.3370-0.5545-1.0679 ( 2167 PWs) bands (ev): -48.5822 -48.5822 -22.9479 -22.9479 -21.0154 -21.0154 -15.3530 -15.3530 -15.2625 -15.2625 -4.4778 -4.4778 -3.6438 -3.6438 -2.9334 -2.9334 0.3066 0.3066 0.3957 0.3957 9.0200 9.0200 9.0959 9.0959 9.8015 9.8015 10.5299 10.5299 10.6254 10.6254 11.0879 11.0879 15.5090 15.5090 16.8076 16.8076 17.0462 17.0462 17.9872 17.9872 k = 0.3423-0.5631-1.0846 ( 2167 PWs) bands (ev): -48.5822 -48.5822 -22.9478 -22.9478 -21.0156 -21.0156 -15.3535 -15.3535 -15.2616 -15.2616 -4.4782 -4.4782 -3.6409 -3.6409 -2.9330 -2.9330 0.2910 0.2910 0.4082 0.4082 9.0017 9.0017 9.1111 9.1111 9.8052 9.8052 10.5737 10.5737 10.6068 10.6068 11.0649 11.0649 15.4412 15.4412 16.8302 16.8302 17.0452 17.0452 18.0714 18.0714 k = 0.6577-0.4231-0.9996 ( 2167 PWs) bands (ev): -48.5822 -48.5822 -22.9478 -22.9478 -21.0156 -21.0156 -15.3535 -15.3535 -15.2616 -15.2616 -4.4782 -4.4782 -3.6409 -3.6409 -2.9330 -2.9330 0.2910 0.2910 0.4082 0.4082 9.0017 9.0017 9.1111 9.1111 9.8052 9.8052 10.5737 10.5737 10.6068 10.6068 11.0649 11.0649 15.4412 15.4412 16.8302 16.8302 17.0452 17.0452 18.0714 18.0714 k = 0.6525-0.4043-0.9996 ( 2167 PWs) bands (ev): -48.5822 -48.5822 -22.9477 -22.9477 -21.0160 -21.0160 -15.3546 -15.3546 -15.2599 -15.2599 -4.4795 -4.4795 -3.6357 -3.6357 -2.9326 -2.9326 0.2688 0.2688 0.4269 0.4269 8.9404 8.9404 9.1703 9.1703 9.8096 9.8096 10.5847 10.5847 10.6228 10.6228 11.0421 11.0421 15.3651 15.3651 16.8527 16.8527 17.0547 17.0547 18.1564 18.1564 k = 0.6472-0.3855-0.9996 ( 2169 PWs) bands (ev): -48.5823 -48.5823 -22.9475 -22.9475 -21.0165 -21.0165 -15.3561 -15.3561 -15.2576 -15.2576 -4.4818 -4.4818 -3.6284 -3.6284 -2.9322 -2.9322 0.2431 0.2431 0.4489 0.4489 8.8745 8.8745 9.2344 9.2344 9.8147 9.8147 10.5666 10.5666 10.6699 10.6699 11.0198 11.0198 15.2811 15.2811 16.8760 16.8760 17.0734 17.0734 18.2419 18.2419 k = 0.6419-0.3668-0.9996 ( 2171 PWs) bands (ev): -48.5824 -48.5824 -22.9473 -22.9473 -21.0172 -21.0172 -15.3580 -15.3580 -15.2545 -15.2545 -4.4851 -4.4851 -3.6190 -3.6190 -2.9316 -2.9316 0.2153 0.2153 0.4728 0.4728 8.8074 8.8074 9.2994 9.2994 9.8208 9.8208 10.5490 10.5490 10.7180 10.7180 10.9988 10.9988 15.1902 15.1902 16.9011 16.9011 17.0995 17.0995 18.3276 18.3276 k = 0.6367-0.3480-0.9996 ( 2169 PWs) bands (ev): -48.5824 -48.5824 -22.9470 -22.9470 -21.0179 -21.0179 -15.3602 -15.3602 -15.2509 -15.2509 -4.4894 -4.4894 -3.6078 -3.6078 -2.9309 -2.9309 0.1861 0.1861 0.4980 0.4980 8.7400 8.7400 9.3640 9.3640 9.8277 9.8277 10.5333 10.5333 10.7650 10.7650 10.9807 10.9807 15.0934 15.0934 16.9286 16.9286 17.1313 17.1313 18.4130 18.4130 k = 0.6314-0.3292-0.9996 ( 2171 PWs) bands (ev): -48.5825 -48.5825 -22.9467 -22.9467 -21.0188 -21.0188 -15.3628 -15.3628 -15.2467 -15.2467 -4.4946 -4.4946 -3.5948 -3.5948 -2.9298 -2.9298 0.1559 0.1559 0.5241 0.5241 8.6727 8.6727 9.4268 9.4268 9.8357 9.8357 10.5207 10.5207 10.8069 10.8069 10.9691 10.9691 14.9917 14.9917 16.9590 16.9590 17.1675 17.1675 18.4969 18.4969 k = 0.6262-0.3105-0.9996 ( 2171 PWs) bands (ev): -48.5826 -48.5826 -22.9463 -22.9463 -21.0198 -21.0198 -15.3655 -15.3655 -15.2421 -15.2421 -4.5006 -4.5006 -3.5803 -3.5803 -2.9285 -2.9285 0.1250 0.1250 0.5508 0.5508 8.6057 8.6057 9.4865 9.4865 9.8446 9.8446 10.5121 10.5121 10.8352 10.8352 10.9726 10.9726 14.8862 14.8862 16.9922 16.9922 17.2070 17.2070 18.5744 18.5744 k = 0.6209-0.2917-0.9996 ( 2173 PWs) bands (ev): -48.5827 -48.5827 -22.9459 -22.9459 -21.0209 -21.0209 -15.3685 -15.3685 -15.2372 -15.2372 -4.5074 -4.5074 -3.5646 -3.5646 -2.9266 -2.9266 0.0935 0.0935 0.5779 0.5779 8.5393 8.5393 9.5419 9.5419 9.8544 9.8544 10.5088 10.5088 10.8421 10.8421 10.9990 10.9990 14.7779 14.7779 17.0279 17.0279 17.2491 17.2491 18.6104 18.6104 k = 0.6157-0.2729-0.9996 ( 2173 PWs) bands (ev): -48.5828 -48.5828 -22.9455 -22.9455 -21.0221 -21.0221 -15.3715 -15.3715 -15.2320 -15.2320 -4.5148 -4.5148 -3.5480 -3.5480 -2.9242 -2.9242 0.0618 0.0618 0.6053 0.6053 8.4738 8.4738 9.5915 9.5915 9.8646 9.8646 10.5121 10.5121 10.8336 10.8336 11.0422 11.0422 14.6676 14.6676 17.0658 17.0658 17.2934 17.2934 18.5729 18.5729 k = 0.6104-0.2541-0.9996 ( 2175 PWs) bands (ev): -48.5830 -48.5830 -22.9451 -22.9451 -21.0233 -21.0233 -15.3747 -15.3747 -15.2266 -15.2266 -4.5227 -4.5227 -3.5307 -3.5307 -2.9212 -2.9212 0.0300 0.0300 0.6327 0.6327 8.4094 8.4094 9.6346 9.6346 9.8746 9.8746 10.5229 10.5229 10.8193 10.8193 11.0933 11.0933 14.5560 14.5560 17.1052 17.1052 17.3393 17.3393 18.5191 18.5191 k = 0.6051-0.2354-0.9996 ( 2175 PWs) bands (ev): -48.5831 -48.5831 -22.9447 -22.9447 -21.0246 -21.0246 -15.3778 -15.3778 -15.2210 -15.2210 -4.5310 -4.5310 -3.5131 -3.5131 -2.9174 -2.9174 -0.0017 -0.0017 0.6601 0.6601 8.3463 8.3463 9.6709 9.6709 9.8835 9.8835 10.5413 10.5413 10.8042 10.8042 11.1477 11.1477 14.4439 14.4439 17.1457 17.1457 17.3866 17.3866 18.4633 18.4633 k = 0.5999-0.2166-0.9996 ( 2177 PWs) bands (ev): -48.5832 -48.5832 -22.9442 -22.9442 -21.0259 -21.0259 -15.3810 -15.3810 -15.2154 -15.2154 -4.5395 -4.5395 -3.4953 -3.4953 -2.9129 -2.9129 -0.0332 -0.0332 0.6872 0.6872 8.2847 8.2847 9.7005 9.7005 9.8904 9.8904 10.5658 10.5658 10.7923 10.7923 11.2035 11.2035 14.3319 14.3319 17.1867 17.1867 17.4349 17.4349 18.4080 18.4080 k = 0.5946-0.1978-0.9996 ( 2175 PWs) bands (ev): -48.5833 -48.5833 -22.9437 -22.9437 -21.0272 -21.0272 -15.3842 -15.3842 -15.2096 -15.2096 -4.5483 -4.5483 -3.4778 -3.4778 -2.9074 -2.9074 -0.0643 -0.0643 0.7140 0.7140 8.2249 8.2249 9.7243 9.7243 9.8947 9.8947 10.5919 10.5919 10.7883 10.7883 11.2599 11.2599 14.2205 14.2205 17.2277 17.2277 17.4838 17.4838 18.3543 18.3543 k = 0.5894-0.1791-0.9996 ( 2175 PWs) bands (ev): -48.5835 -48.5835 -22.9432 -22.9432 -21.0286 -21.0286 -15.3873 -15.3873 -15.2040 -15.2040 -4.5571 -4.5571 -3.4608 -3.4608 -2.9011 -2.9011 -0.0949 -0.0949 0.7402 0.7402 8.1670 8.1670 9.7432 9.7432 9.8962 9.8962 10.6117 10.6117 10.7998 10.7998 11.3162 11.3162 14.1101 14.1101 17.2680 17.2680 17.5332 17.5332 18.3030 18.3030 k = 0.5841-0.1603-0.9996 ( 2167 PWs) bands (ev): -48.5836 -48.5836 -22.9427 -22.9427 -21.0299 -21.0299 -15.3902 -15.3902 -15.1983 -15.1983 -4.5659 -4.5659 -3.4444 -3.4444 -2.8938 -2.8938 -0.1248 -0.1248 0.7658 0.7658 8.1112 8.1112 9.7578 9.7578 9.8955 9.8955 10.6183 10.6183 10.8322 10.8322 11.3719 11.3719 14.0012 14.0012 17.3070 17.3070 17.5827 17.5827 18.2545 18.2545 k = 0.5789-0.1415-0.9996 ( 2173 PWs) bands (ev): -48.5837 -48.5837 -22.9423 -22.9423 -21.0312 -21.0312 -15.3932 -15.3932 -15.1928 -15.1928 -4.5745 -4.5745 -3.4290 -3.4290 -2.8857 -2.8857 -0.1538 -0.1538 0.7906 0.7906 8.0577 8.0577 9.7687 9.7687 9.8935 9.8935 10.6131 10.6131 10.8830 10.8830 11.4266 11.4266 13.8942 13.8942 17.3441 17.3441 17.6321 17.6321 18.2096 18.2096 k = 0.5736-0.1227-0.9996 ( 2175 PWs) bands (ev): -48.5839 -48.5839 -22.9418 -22.9418 -21.0325 -21.0325 -15.3960 -15.3960 -15.1875 -15.1875 -4.5829 -4.5829 -3.4146 -3.4146 -2.8767 -2.8767 -0.1818 -0.1818 0.8144 0.8144 8.0068 8.0068 9.7760 9.7760 9.8912 9.8912 10.6009 10.6009 10.9458 10.9458 11.4801 11.4801 13.7894 13.7894 17.3785 17.3785 17.6810 17.6810 18.1689 18.1689 k = 0.5683-0.1040-0.9996 ( 2171 PWs) bands (ev): -48.5840 -48.5840 -22.9413 -22.9413 -21.0338 -21.0338 -15.3986 -15.3986 -15.1824 -15.1824 -4.5911 -4.5911 -3.4013 -3.4013 -2.8670 -2.8670 -0.2087 -0.2087 0.8373 0.8373 7.9585 7.9585 9.7798 9.7798 9.8896 9.8896 10.5854 10.5854 11.0158 11.0158 11.5319 11.5319 13.6870 13.6870 17.4095 17.4095 17.7289 17.7289 18.1333 18.1333 k = 0.5631-0.0852-0.9996 ( 2167 PWs) bands (ev): -48.5841 -48.5841 -22.9409 -22.9409 -21.0350 -21.0350 -15.4011 -15.4011 -15.1774 -15.1774 -4.5989 -4.5989 -3.3893 -3.3893 -2.8567 -2.8567 -0.2343 -0.2343 0.8589 0.8589 7.9131 7.9131 9.7802 9.7802 9.8896 9.8896 10.5685 10.5685 11.0899 11.0899 11.5818 11.5818 13.5873 13.5873 17.4363 17.4363 17.7753 17.7753 18.1035 18.1035 k = 0.5578-0.0664-0.9996 ( 2167 PWs) bands (ev): -48.5842 -48.5842 -22.9405 -22.9405 -21.0361 -21.0361 -15.4035 -15.4035 -15.1728 -15.1728 -4.6063 -4.6063 -3.3786 -3.3786 -2.8460 -2.8460 -0.2585 -0.2585 0.8793 0.8793 7.8707 7.8707 9.7777 9.7777 9.8912 9.8912 10.5513 10.5513 11.1661 11.1661 11.6296 11.6296 13.4906 13.4906 17.4584 17.4584 17.8194 17.8194 18.0808 18.0808 k = 0.5526-0.0477-0.9996 ( 2165 PWs) bands (ev): -48.5843 -48.5843 -22.9401 -22.9401 -21.0372 -21.0372 -15.4056 -15.4056 -15.1684 -15.1684 -4.6132 -4.6132 -3.3690 -3.3690 -2.8351 -2.8351 -0.2811 -0.2811 0.8984 0.8984 7.8314 7.8314 9.7728 9.7728 9.8944 9.8944 10.5343 10.5343 11.2429 11.2429 11.6749 11.6749 13.3973 13.3973 17.4753 17.4753 17.8600 17.8600 18.0664 18.0664 k = 0.5473-0.0289-0.9996 ( 2169 PWs) bands (ev): -48.5844 -48.5844 -22.9398 -22.9398 -21.0382 -21.0382 -15.4077 -15.4077 -15.1644 -15.1644 -4.6196 -4.6196 -3.3608 -3.3608 -2.8243 -2.8243 -0.3020 -0.3020 0.9159 0.9159 7.7954 7.7954 9.7666 9.7666 9.8987 9.8987 10.5180 10.5180 11.3189 11.3189 11.7176 11.7176 13.3075 13.3075 17.4868 17.4868 17.8951 17.8951 18.0618 18.0618 k = 0.5421-0.0101-0.9996 ( 2171 PWs) bands (ev): -48.5845 -48.5845 -22.9395 -22.9395 -21.0391 -21.0391 -15.4095 -15.4095 -15.1608 -15.1608 -4.6254 -4.6254 -3.3536 -3.3536 -2.8138 -2.8138 -0.3212 -0.3212 0.9318 0.9318 7.7629 7.7629 9.7597 9.7597 9.9035 9.9035 10.5027 10.5027 11.3931 11.3931 11.7576 11.7576 13.2218 13.2218 17.4933 17.4933 17.9227 17.9227 18.0681 18.0681 k = 0.5368 0.0086-0.9996 ( 2171 PWs) bands (ev): -48.5846 -48.5846 -22.9392 -22.9392 -21.0400 -21.0400 -15.4111 -15.4111 -15.1575 -15.1575 -4.6306 -4.6306 -3.3475 -3.3475 -2.8038 -2.8038 -0.3384 -0.3384 0.9461 0.9461 7.7339 7.7339 9.7526 9.7526 9.9085 9.9085 10.4886 10.4886 11.4640 11.4640 11.7948 11.7948 13.1407 13.1407 17.4954 17.4954 17.9424 17.9424 18.0848 18.0848 k = 0.5315 0.0274-0.9996 ( 2169 PWs) bands (ev): -48.5846 -48.5846 -22.9389 -22.9389 -21.0407 -21.0407 -15.4125 -15.4125 -15.1546 -15.1546 -4.6352 -4.6352 -3.3425 -3.3425 -2.7946 -2.7946 -0.3535 -0.3535 0.9587 0.9587 7.7085 7.7085 9.7459 9.7459 9.9135 9.9135 10.4759 10.4759 11.5303 11.5303 11.8290 11.8290 13.0649 13.0649 17.4942 17.4942 17.9559 17.9559 18.1082 18.1082 k = 0.5263 0.0462-0.9996 ( 2167 PWs) bands (ev): -48.5847 -48.5847 -22.9386 -22.9386 -21.0413 -21.0413 -15.4137 -15.4137 -15.1521 -15.1521 -4.6391 -4.6391 -3.3383 -3.3383 -2.7864 -2.7864 -0.3665 -0.3665 0.9694 0.9694 7.6869 7.6869 9.7398 9.7398 9.9180 9.9180 10.4649 10.4649 11.5903 11.5903 11.8605 11.8605 12.9955 12.9955 17.4908 17.4908 17.9658 17.9658 18.1339 18.1339 k = 0.5210 0.0650-0.9996 ( 2175 PWs) bands (ev): -48.5848 -48.5848 -22.9386 -22.9386 -21.0419 -21.0419 -15.4148 -15.4148 -15.1501 -15.1501 -4.6424 -4.6424 -3.3351 -3.3351 -2.7794 -2.7794 -0.3773 -0.3773 0.9783 0.9783 7.6691 7.6691 9.7345 9.7345 9.9220 9.9220 10.4555 10.4555 11.6423 11.6423 11.8889 11.8889 12.9339 12.9339 17.4864 17.4864 17.9734 17.9734 18.1587 18.1587 k = 0.5158 0.0837-0.9996 ( 2175 PWs) bands (ev): -48.5848 -48.5848 -22.9384 -22.9384 -21.0423 -21.0423 -15.4156 -15.4156 -15.1484 -15.1484 -4.6449 -4.6449 -3.3326 -3.3326 -2.7737 -2.7737 -0.3858 -0.3858 0.9852 0.9852 7.6552 7.6552 9.7303 9.7303 9.9253 9.9253 10.4481 10.4481 11.6843 11.6843 11.9137 11.9137 12.8821 12.8821 17.4820 17.4820 17.9794 17.9794 18.1800 18.1800 k = 0.5105 0.1025-0.9996 ( 2170 PWs) bands (ev): -48.5848 -48.5848 -22.9382 -22.9382 -21.0426 -21.0426 -15.4161 -15.4161 -15.1472 -15.1472 -4.6467 -4.6467 -3.3308 -3.3308 -2.7696 -2.7696 -0.3919 -0.3919 0.9902 0.9902 7.6453 7.6453 9.7272 9.7272 9.9278 9.9278 10.4427 10.4427 11.7151 11.7151 11.9337 11.9337 12.8424 12.8424 17.4783 17.4783 17.9838 17.9838 18.1964 18.1964 k = 0.5053 0.1213-0.9996 ( 2168 PWs) bands (ev): -48.5848 -48.5848 -22.9382 -22.9382 -21.0427 -21.0427 -15.4164 -15.4164 -15.1465 -15.1465 -4.6478 -4.6478 -3.3298 -3.3298 -2.7671 -2.7671 -0.3955 -0.3955 0.9932 0.9932 7.6393 7.6393 9.7254 9.7254 9.9293 9.9293 10.4395 10.4395 11.7337 11.7337 11.9469 11.9469 12.8172 12.8172 17.4759 17.4759 17.9865 17.9865 18.2067 18.2067 k = 0.5000 0.1400-0.9996 ( 2162 PWs) bands (ev): -48.5848 -48.5848 -22.9381 -22.9381 -21.0428 -21.0428 -15.4165 -15.4165 -15.1462 -15.1462 -4.6482 -4.6482 -3.3295 -3.3295 -2.7662 -2.7662 -0.3968 -0.3968 0.9942 0.9942 7.6373 7.6373 9.7247 9.7247 9.9298 9.9298 10.4384 10.4384 11.7399 11.7399 11.9516 11.9516 12.8085 12.8085 17.4751 17.4751 17.9874 17.9874 18.2102 18.2102 k = 0.5000 0.1400-0.9996 ( 2162 PWs) bands (ev): -48.5848 -48.5848 -22.9381 -22.9381 -21.0428 -21.0428 -15.4165 -15.4165 -15.1462 -15.1462 -4.6482 -4.6482 -3.3295 -3.3295 -2.7662 -2.7662 -0.3968 -0.3968 0.9942 0.9942 7.6373 7.6373 9.7247 9.7247 9.9298 9.9298 10.4384 10.4384 11.7399 11.7399 11.9516 11.9516 12.8085 12.8085 17.4751 17.4751 17.9874 17.9874 18.2102 18.2102 k = 0.5158 0.1445-0.9910 ( 2166 PWs) bands (ev): -48.5848 -48.5848 -22.9381 -22.9381 -21.0428 -21.0428 -15.4165 -15.4165 -15.1462 -15.1462 -4.6482 -4.6482 -3.3295 -3.3295 -2.7663 -2.7663 -0.3959 -0.3959 0.9933 0.9933 7.6390 7.6390 9.7252 9.7252 9.9304 9.9304 10.4371 10.4371 11.7384 11.7384 11.9489 11.9489 12.8122 12.8122 17.4729 17.4729 17.9830 17.9830 18.2092 18.2092 k = 0.5315 0.1489-0.9825 ( 2170 PWs) bands (ev): -48.5849 -48.5849 -22.9381 -22.9381 -21.0429 -21.0429 -15.4164 -15.4164 -15.1463 -15.1463 -4.6483 -4.6483 -3.3298 -3.3298 -2.7665 -2.7665 -0.3933 -0.3933 0.9905 0.9905 7.6441 7.6441 9.7267 9.7267 9.9323 9.9323 10.4332 10.4332 11.7338 11.7338 11.9410 11.9410 12.8232 12.8232 17.4663 17.4663 17.9699 17.9699 18.2067 18.2067 k = 0.5473 0.1533-0.9740 ( 2168 PWs) bands (ev): -48.5849 -48.5849 -22.9381 -22.9381 -21.0429 -21.0429 -15.4163 -15.4163 -15.1462 -15.1462 -4.6484 -4.6484 -3.3301 -3.3301 -2.7669 -2.7669 -0.3889 -0.3889 0.9859 0.9859 7.6526 7.6526 9.7291 9.7291 9.9355 9.9355 10.4269 10.4269 11.7262 11.7262 11.9284 11.9284 12.8410 12.8410 17.4549 17.4549 17.9490 17.9490 18.2030 18.2030 k = 0.5631 0.1577-0.9655 ( 2166 PWs) bands (ev): -48.5849 -48.5849 -22.9380 -22.9380 -21.0430 -21.0430 -15.4160 -15.4160 -15.1462 -15.1462 -4.6485 -4.6485 -3.3306 -3.3306 -2.7674 -2.7674 -0.3829 -0.3829 0.9794 0.9794 7.6645 7.6645 9.7322 9.7322 9.9399 9.9399 10.4183 10.4183 11.7154 11.7154 11.9119 11.9119 12.8651 12.8651 17.4376 17.4376 17.9219 17.9219 18.1990 18.1990 k = 0.5789 0.1621-0.9570 ( 2168 PWs) bands (ev): -48.5849 -48.5849 -22.9380 -22.9380 -21.0432 -21.0432 -15.4158 -15.4158 -15.1461 -15.1461 -4.6487 -4.6487 -3.3311 -3.3311 -2.7680 -2.7680 -0.3751 -0.3751 0.9712 0.9712 7.6796 7.6796 9.7359 9.7359 9.9456 9.9456 10.4076 10.4076 11.7012 11.7012 11.8923 11.8923 12.8948 12.8948 17.4137 17.4137 17.8908 17.8908 18.1951 18.1951 k = 0.5946 0.1665-0.9485 ( 2168 PWs) bands (ev): -48.5849 -48.5849 -22.9379 -22.9379 -21.0433 -21.0433 -15.4155 -15.4155 -15.1461 -15.1461 -4.6489 -4.6489 -3.3319 -3.3319 -2.7688 -2.7688 -0.3657 -0.3657 0.9612 0.9612 7.6980 7.6980 9.7399 9.7399 9.9525 9.9525 10.3951 10.3951 11.6836 11.6836 11.8704 11.8704 12.9294 12.9294 17.3818 17.3818 17.8582 17.8582 18.1913 18.1913 k = 0.6104 0.1710-0.9400 ( 2169 PWs) bands (ev): -48.5849 -48.5849 -22.9379 -22.9379 -21.0435 -21.0435 -15.4151 -15.4151 -15.1460 -15.1460 -4.6491 -4.6491 -3.3327 -3.3327 -2.7696 -2.7696 -0.3547 -0.3547 0.9496 0.9496 7.7196 7.7196 9.7438 9.7438 9.9605 9.9605 10.3812 10.3812 11.6626 11.6626 11.8473 11.8473 12.9683 12.9683 17.3410 17.3410 17.8267 17.8267 18.1879 18.1879 k = 0.6262 0.1754-0.9315 ( 2169 PWs) bands (ev): -48.5849 -48.5849 -22.9378 -22.9378 -21.0438 -21.0438 -15.4147 -15.4147 -15.1460 -15.1460 -4.6493 -4.6493 -3.3336 -3.3336 -2.7706 -2.7706 -0.3421 -0.3421 0.9363 0.9363 7.7441 7.7441 9.7472 9.7472 9.9697 9.9697 10.3665 10.3665 11.6383 11.6383 11.8233 11.8233 13.0111 13.0111 17.2910 17.2910 17.7979 17.7979 18.1847 18.1847 k = 0.6419 0.1798-0.9230 ( 2163 PWs) bands (ev): -48.5850 -48.5850 -22.9377 -22.9377 -21.0440 -21.0440 -15.4141 -15.4141 -15.1458 -15.1458 -4.6494 -4.6494 -3.3346 -3.3346 -2.7717 -2.7717 -0.3281 -0.3281 0.9214 0.9214 7.7716 7.7716 9.7496 9.7496 9.9800 9.9800 10.3514 10.3514 11.6108 11.6108 11.7990 11.7990 13.0571 13.0571 17.2320 17.2320 17.7729 17.7729 18.1817 18.1817 k = 0.6577 0.1842-0.9145 ( 2164 PWs) bands (ev): -48.5850 -48.5850 -22.9376 -22.9376 -21.0443 -21.0443 -15.4136 -15.4136 -15.1457 -15.1457 -4.6495 -4.6495 -3.3357 -3.3357 -2.7729 -2.7729 -0.3126 -0.3126 0.9050 0.9050 7.8018 7.8018 9.7504 9.7504 9.9914 9.9914 10.3367 10.3367 11.5805 11.5805 11.7747 11.7747 13.1061 13.1061 17.1649 17.1649 17.7517 17.7517 18.1788 18.1788 k = 0.6577 0.1842-0.9145 ( 2164 PWs) bands (ev): -48.5850 -48.5850 -22.9376 -22.9376 -21.0443 -21.0443 -15.4136 -15.4136 -15.1457 -15.1457 -4.6495 -4.6495 -3.3357 -3.3357 -2.7729 -2.7729 -0.3126 -0.3126 0.9050 0.9050 7.8018 7.8018 9.7504 9.7504 9.9914 9.9914 10.3367 10.3367 11.5805 11.5805 11.7747 11.7747 13.1061 13.1061 17.1649 17.1649 17.7517 17.7517 18.1788 18.1788 k = 0.6547 0.1834-0.8952 ( 2170 PWs) bands (ev): -48.5851 -48.5851 -22.9372 -22.9372 -21.0456 -21.0456 -15.4119 -15.4119 -15.1455 -15.1455 -4.6430 -4.6430 -3.3364 -3.3364 -2.7746 -2.7746 -0.3110 -0.3110 0.9029 0.9029 7.8145 7.8145 9.7610 9.7610 9.9889 9.9889 10.3044 10.3044 11.6042 11.6042 11.7913 11.7913 13.0838 13.0838 17.2033 17.2033 17.7266 17.7266 18.1565 18.1565 k = 0.6517 0.1825-0.8760 ( 2168 PWs) bands (ev): -48.5853 -48.5853 -22.9365 -22.9365 -21.0472 -21.0472 -15.4096 -15.4096 -15.1452 -15.1452 -4.6347 -4.6347 -3.3375 -3.3375 -2.7768 -2.7768 -0.3075 -0.3075 0.8984 0.8984 7.8313 7.8313 9.7716 9.7716 9.9874 9.9874 10.2721 10.2721 11.6247 11.6247 11.8084 11.8084 13.0653 13.0653 17.2395 17.2395 17.6985 17.6985 18.1304 18.1304 k = 0.6486 0.1817-0.8568 ( 2166 PWs) bands (ev): -48.5855 -48.5855 -22.9358 -22.9358 -21.0491 -21.0491 -15.4067 -15.4067 -15.1449 -15.1449 -4.6247 -4.6247 -3.3388 -3.3388 -2.7793 -2.7793 -0.3022 -0.3022 0.8917 0.8917 7.8519 7.8519 9.7814 9.7814 9.9869 9.9869 10.2405 10.2405 11.6417 11.6417 11.8259 11.8259 13.0510 13.0510 17.2724 17.2724 17.6686 17.6686 18.1009 18.1009 k = 0.6456 0.1808-0.8376 ( 2166 PWs) bands (ev): -48.5857 -48.5857 -22.9349 -22.9349 -21.0514 -21.0514 -15.4034 -15.4034 -15.1444 -15.1444 -4.6130 -4.6130 -3.3405 -3.3405 -2.7821 -2.7821 -0.2951 -0.2951 0.8830 0.8830 7.8762 7.8762 9.7894 9.7894 9.9871 9.9871 10.2110 10.2110 11.6554 11.6554 11.8435 11.8435 13.0410 13.0410 17.3007 17.3007 17.6383 17.6383 18.0680 18.0680 k = 0.6426 0.1800-0.8184 ( 2168 PWs) bands (ev): -48.5859 -48.5859 -22.9339 -22.9339 -21.0540 -21.0540 -15.3996 -15.3996 -15.1440 -15.1440 -4.5997 -4.5997 -3.3425 -3.3425 -2.7851 -2.7851 -0.2863 -0.2863 0.8723 0.8723 7.9038 7.9038 9.7943 9.7943 9.9881 9.9881 10.1850 10.1850 11.6661 11.6661 11.8609 11.8609 13.0356 13.0356 17.3221 17.3221 17.6102 17.6102 18.0322 18.0322 k = 0.6395 0.1791-0.7991 ( 2170 PWs) bands (ev): -48.5862 -48.5862 -22.9328 -22.9328 -21.0569 -21.0569 -15.3953 -15.3953 -15.1434 -15.1434 -4.5848 -4.5848 -3.3449 -3.3449 -2.7882 -2.7882 -0.2761 -0.2761 0.8598 0.8598 7.9347 7.9347 9.7945 9.7945 9.9897 9.9897 10.1644 10.1644 11.6740 11.6740 11.8777 11.8777 13.0352 13.0352 17.3330 17.3330 17.5877 17.5877 17.9937 17.9937 k = 0.6365 0.1783-0.7799 ( 2170 PWs) bands (ev): -48.5865 -48.5865 -22.9316 -22.9316 -21.0602 -21.0602 -15.3906 -15.3906 -15.1428 -15.1428 -4.5685 -4.5685 -3.3477 -3.3477 -2.7913 -2.7913 -0.2644 -0.2644 0.8457 0.8457 7.9685 7.9685 9.7885 9.7885 9.9917 9.9917 10.1509 10.1509 11.6794 11.6794 11.8933 11.8933 13.0400 13.0400 17.3298 17.3298 17.5747 17.5747 17.9526 17.9526 k = 0.6335 0.1774-0.7607 ( 2180 PWs) bands (ev): -48.5869 -48.5869 -22.9303 -22.9303 -21.0637 -21.0637 -15.3856 -15.3856 -15.1421 -15.1421 -4.5508 -4.5508 -3.3508 -3.3508 -2.7942 -2.7942 -0.2514 -0.2514 0.8301 0.8301 8.0050 8.0050 9.7753 9.7753 9.9942 9.9942 10.1458 10.1458 11.6829 11.6829 11.9075 11.9075 13.0500 13.0500 17.3113 17.3113 17.5727 17.5727 17.9093 17.9093 k = 0.6304 0.1766-0.7415 ( 2176 PWs) bands (ev): -48.5873 -48.5873 -22.9288 -22.9288 -21.0676 -21.0676 -15.3800 -15.3800 -15.1412 -15.1412 -4.5319 -4.5319 -3.3544 -3.3544 -2.7968 -2.7968 -0.2374 -0.2374 0.8131 0.8131 8.0440 8.0440 9.7547 9.7547 9.9973 9.9973 10.1489 10.1489 11.6846 11.6846 11.9199 11.9199 13.0655 13.0655 17.2800 17.2800 17.5792 17.5792 17.8638 17.8638 k = 0.6274 0.1757-0.7222 ( 2170 PWs) bands (ev): -48.5876 -48.5876 -22.9271 -22.9271 -21.0717 -21.0717 -15.3741 -15.3741 -15.1402 -15.1402 -4.5117 -4.5117 -3.3583 -3.3583 -2.7991 -2.7991 -0.2224 -0.2224 0.7949 0.7949 8.0852 8.0852 9.7279 9.7279 10.0010 10.0010 10.1593 10.1593 11.6848 11.6848 11.9303 11.9303 13.0863 13.0863 17.2400 17.2400 17.5902 17.5902 17.8164 17.8164 k = 0.6244 0.1749-0.7030 ( 2168 PWs) bands (ev): -48.5881 -48.5881 -22.9254 -22.9254 -21.0760 -21.0760 -15.3679 -15.3679 -15.1390 -15.1390 -4.4906 -4.4906 -3.3626 -3.3626 -2.8009 -2.8009 -0.2066 -0.2066 0.7757 0.7757 8.1284 8.1284 9.6963 9.6963 10.0053 10.0053 10.1757 10.1757 11.6838 11.6838 11.9388 11.9388 13.1126 13.1126 17.1944 17.1944 17.6025 17.6025 17.7674 17.7674 k = 0.6213 0.1740-0.6838 ( 2168 PWs) bands (ev): -48.5885 -48.5885 -22.9236 -22.9236 -21.0806 -21.0806 -15.3614 -15.3614 -15.1378 -15.1378 -4.4686 -4.4686 -3.3671 -3.3671 -2.8021 -2.8021 -0.1901 -0.1901 0.7555 0.7555 8.1732 8.1732 9.6612 9.6612 10.0101 10.0101 10.1968 10.1968 11.6819 11.6819 11.9451 11.9451 13.1441 13.1441 17.1455 17.1455 17.6137 17.6137 17.7172 17.7172 k = 0.6183 0.1732-0.6646 ( 2162 PWs) bands (ev): -48.5890 -48.5890 -22.9217 -22.9217 -21.0855 -21.0855 -15.3546 -15.3546 -15.1363 -15.1363 -4.4460 -4.4460 -3.3718 -3.3718 -2.8027 -2.8027 -0.1732 -0.1732 0.7346 0.7346 8.2195 8.2195 9.6241 9.6241 10.0153 10.0153 10.2215 10.2215 11.6792 11.6792 11.9494 11.9494 13.1807 13.1807 17.0946 17.0946 17.6201 17.6201 17.6685 17.6685 k = 0.6153 0.1723-0.6454 ( 2157 PWs) bands (ev): -48.5895 -48.5895 -22.9197 -22.9197 -21.0905 -21.0905 -15.3476 -15.3476 -15.1346 -15.1346 -4.4228 -4.4228 -3.3766 -3.3766 -2.8025 -2.8025 -0.1560 -0.1560 0.7131 0.7131 8.2670 8.2670 9.5858 9.5858 10.0207 10.0207 10.2491 10.2491 11.6759 11.6759 11.9518 11.9518 13.2221 13.2221 17.0425 17.0425 17.5988 17.5988 17.6438 17.6438 k = 0.6122 0.1715-0.6261 ( 2157 PWs) bands (ev): -48.5900 -48.5900 -22.9177 -22.9177 -21.0957 -21.0957 -15.3405 -15.3405 -15.1328 -15.1328 -4.3993 -4.3993 -3.3813 -3.3813 -2.8014 -2.8014 -0.1387 -0.1387 0.6912 0.6912 8.3153 8.3153 9.5472 9.5472 10.0262 10.0262 10.2791 10.2791 11.6723 11.6723 11.9522 11.9522 13.2680 13.2680 16.9899 16.9899 17.5478 17.5478 17.6446 17.6446 k = 0.6092 0.1706-0.6069 ( 2157 PWs) bands (ev): -48.5905 -48.5905 -22.9156 -22.9156 -21.1012 -21.1012 -15.3332 -15.3332 -15.1307 -15.1307 -4.3757 -4.3757 -3.3858 -3.3858 -2.7996 -2.7996 -0.1214 -0.1214 0.6690 0.6690 8.3643 8.3643 9.5088 9.5088 10.0316 10.0316 10.3110 10.3110 11.6685 11.6685 11.9508 11.9508 13.3182 13.3182 16.9374 16.9374 17.4919 17.4919 17.6461 17.6461 k = 0.6062 0.1698-0.5877 ( 2157 PWs) bands (ev): -48.5910 -48.5910 -22.9134 -22.9134 -21.1067 -21.1067 -15.3260 -15.3260 -15.1283 -15.1283 -4.3524 -4.3524 -3.3898 -3.3898 -2.7968 -2.7968 -0.1044 -0.1044 0.6466 0.6466 8.4136 8.4136 9.4712 9.4712 10.0368 10.0368 10.3446 10.3446 11.6647 11.6647 11.9476 11.9476 13.3724 13.3724 16.8852 16.8852 17.4341 17.4341 17.6453 17.6453 k = 0.6031 0.1689-0.5685 ( 2160 PWs) bands (ev): -48.5916 -48.5916 -22.9112 -22.9112 -21.1124 -21.1124 -15.3187 -15.3187 -15.1257 -15.1257 -4.3294 -4.3294 -3.3932 -3.3932 -2.7931 -2.7931 -0.0879 -0.0879 0.6243 0.6243 8.4630 8.4630 9.4347 9.4347 10.0416 10.0416 10.3797 10.3797 11.6610 11.6610 11.9426 11.9426 13.4302 13.4302 16.8338 16.8338 17.3751 17.3751 17.6419 17.6419 k = 0.6001 0.1681-0.5492 ( 2156 PWs) bands (ev): -48.5922 -48.5922 -22.9089 -22.9089 -21.1183 -21.1183 -15.3114 -15.3114 -15.1227 -15.1227 -4.3073 -4.3073 -3.3956 -3.3956 -2.7884 -2.7884 -0.0720 -0.0720 0.6022 0.6022 8.5122 8.5122 9.3997 9.3997 10.0460 10.0460 10.4163 10.4163 11.6577 11.6577 11.9358 11.9358 13.4914 13.4914 16.7834 16.7834 17.3150 17.3150 17.6357 17.6357 k = 0.5971 0.1672-0.5300 ( 2158 PWs) bands (ev): -48.5928 -48.5928 -22.9066 -22.9066 -21.1242 -21.1242 -15.3043 -15.3043 -15.1194 -15.1194 -4.2861 -4.2861 -3.3969 -3.3969 -2.7829 -2.7829 -0.0569 -0.0569 0.5804 0.5804 8.5609 8.5609 9.3665 9.3665 10.0499 10.0499 10.4543 10.4543 11.6548 11.6548 11.9271 11.9271 13.5556 13.5556 16.7343 16.7343 17.2542 17.2542 17.6271 17.6271 k = 0.5940 0.1664-0.5108 ( 2160 PWs) bands (ev): -48.5934 -48.5934 -22.9043 -22.9043 -21.1302 -21.1302 -15.2973 -15.2973 -15.1157 -15.1157 -4.2663 -4.2663 -3.3968 -3.3968 -2.7764 -2.7764 -0.0428 -0.0428 0.5591 0.5591 8.6090 8.6090 9.3353 9.3353 10.0531 10.0531 10.4938 10.4938 11.6525 11.6525 11.9163 11.9163 13.6227 13.6227 16.6867 16.6867 17.1928 17.1928 17.6162 17.6162 k = 0.5910 0.1655-0.4916 ( 2156 PWs) bands (ev): -48.5940 -48.5940 -22.9019 -22.9019 -21.1363 -21.1363 -15.2906 -15.2906 -15.1116 -15.1116 -4.2481 -4.2481 -3.3950 -3.3950 -2.7689 -2.7689 -0.0300 -0.0300 0.5385 0.5385 8.6561 8.6561 9.3062 9.3062 10.0555 10.0555 10.5346 10.5346 11.6509 11.6509 11.9034 11.9034 13.6922 13.6922 16.6408 16.6408 17.1310 17.1310 17.6032 17.6032 k = 0.5880 0.1647-0.4724 ( 2156 PWs) bands (ev): -48.5946 -48.5946 -22.8995 -22.8995 -21.1424 -21.1424 -15.2841 -15.2841 -15.1072 -15.1072 -4.2318 -4.2318 -3.3913 -3.3913 -2.7606 -2.7606 -0.0184 -0.0184 0.5187 0.5187 8.7021 8.7021 9.2796 9.2796 10.0571 10.0571 10.5770 10.5770 11.6501 11.6501 11.8883 11.8883 13.7641 13.7641 16.5966 16.5966 17.0689 17.0689 17.5885 17.5885 k = 0.5849 0.1638-0.4531 ( 2154 PWs) bands (ev): -48.5952 -48.5952 -22.8971 -22.8971 -21.1485 -21.1485 -15.2779 -15.2779 -15.1023 -15.1023 -4.2176 -4.2176 -3.3855 -3.3855 -2.7513 -2.7513 -0.0085 -0.0085 0.4998 0.4998 8.7467 8.7467 9.2556 9.2556 10.0578 10.0578 10.6209 10.6209 11.6501 11.6501 11.8708 11.8708 13.8379 13.8379 16.5542 16.5542 17.0069 17.0069 17.5720 17.5720 k = 0.5819 0.1630-0.4339 ( 2156 PWs) bands (ev): -48.5958 -48.5958 -22.8948 -22.8948 -21.1546 -21.1546 -15.2721 -15.2721 -15.0970 -15.0970 -4.2057 -4.2057 -3.3776 -3.3776 -2.7411 -2.7411 -0.0002 -0.0002 0.4821 0.4821 8.7898 8.7898 9.2343 9.2343 10.0576 10.0576 10.6663 10.6663 11.6509 11.6509 11.8509 11.8509 13.9135 13.9135 16.5136 16.5136 16.9451 16.9451 17.5540 17.5540 k = 0.5789 0.1621-0.4147 ( 2162 PWs) bands (ev): -48.5964 -48.5964 -22.8925 -22.8925 -21.1607 -21.1607 -15.2667 -15.2667 -15.0913 -15.0913 -4.1961 -4.1961 -3.3675 -3.3675 -2.7301 -2.7301 0.0062 0.0062 0.4655 0.4655 8.8311 8.8311 9.2160 9.2160 10.0563 10.0563 10.7134 10.7134 11.6523 11.6523 11.8288 11.8288 13.9905 13.9905 16.4746 16.4746 16.8837 16.8837 17.5343 17.5343 k = 0.5758 0.1613-0.3955 ( 2158 PWs) bands (ev): -48.5970 -48.5970 -22.8900 -22.8900 -21.1668 -21.1668 -15.2615 -15.2615 -15.0852 -15.0852 -4.1890 -4.1890 -3.3553 -3.3553 -2.7182 -2.7182 0.0108 0.0108 0.4503 0.4503 8.8704 8.8704 9.2008 9.2008 10.0541 10.0541 10.7621 10.7621 11.6539 11.6539 11.8046 11.8046 14.0688 14.0688 16.4372 16.4372 16.8230 16.8230 17.5129 17.5129 k = 0.5728 0.1604-0.3762 ( 2155 PWs) bands (ev): -48.5976 -48.5976 -22.8877 -22.8877 -21.1728 -21.1728 -15.2568 -15.2568 -15.0788 -15.0788 -4.1842 -4.1842 -3.3410 -3.3410 -2.7054 -2.7054 0.0134 0.0134 0.4364 0.4364 8.9074 8.9074 9.1889 9.1889 10.0509 10.0509 10.8123 10.8123 11.6546 11.6546 11.7794 11.7794 14.1479 14.1479 16.4011 16.4011 16.7633 16.7633 17.4892 17.4892 k = 0.5698 0.1596-0.3570 ( 2151 PWs) bands (ev): -48.5982 -48.5982 -22.8853 -22.8853 -21.1787 -21.1787 -15.2525 -15.2525 -15.0720 -15.0720 -4.1817 -4.1817 -3.3248 -3.3248 -2.6919 -2.6919 0.0140 0.0140 0.4239 0.4239 8.9418 8.9418 9.1809 9.1809 10.0467 10.0467 10.8640 10.8640 11.6523 11.6523 11.7555 11.7555 14.2278 14.2278 16.3660 16.3660 16.7047 16.7047 17.4628 17.4628 k = 0.5667 0.1587-0.3378 ( 2151 PWs) bands (ev): -48.5988 -48.5988 -22.8830 -22.8830 -21.1845 -21.1845 -15.2486 -15.2486 -15.0650 -15.0650 -4.1813 -4.1813 -3.3071 -3.3071 -2.6775 -2.6775 0.0128 0.0128 0.4127 0.4127 8.9730 8.9730 9.1774 9.1774 10.0416 10.0416 10.9170 10.9170 11.6422 11.6422 11.7373 11.7373 14.3081 14.3081 16.3317 16.3317 16.6476 16.6476 17.4330 17.4330 k = 0.5637 0.1579-0.3186 ( 2158 PWs) bands (ev): -48.5993 -48.5993 -22.8809 -22.8809 -21.1902 -21.1902 -15.2452 -15.2452 -15.0578 -15.0578 -4.1828 -4.1828 -3.2882 -3.2882 -2.6623 -2.6623 0.0099 0.0099 0.4028 0.4028 9.0001 9.0001 9.1790 9.1790 10.0357 10.0357 10.9709 10.9709 11.6203 11.6203 11.7293 11.7293 14.3884 14.3884 16.2978 16.2978 16.5921 16.5921 17.3987 17.3987 k = 0.5607 0.1570-0.2994 ( 2151 PWs) bands (ev): -48.5999 -48.5999 -22.8786 -22.8786 -21.1958 -21.1958 -15.2419 -15.2419 -15.0503 -15.0503 -4.1860 -4.1860 -3.2682 -3.2682 -2.6464 -2.6464 0.0053 0.0053 0.3939 0.3939 9.0223 9.0223 9.1869 9.1869 10.0290 10.0290 11.0254 11.0254 11.5879 11.5879 11.7304 11.7304 14.4686 14.4686 16.2642 16.2642 16.5386 16.5386 17.3591 17.3591 k = 0.5576 0.1562-0.2801 ( 2149 PWs) bands (ev): -48.6004 -48.6004 -22.8765 -22.8765 -21.2012 -21.2012 -15.2391 -15.2391 -15.0428 -15.0428 -4.1905 -4.1905 -3.2477 -3.2477 -2.6298 -2.6298 -0.0005 -0.0005 0.3859 0.3859 9.0392 9.0392 9.2016 9.2016 10.0217 10.0217 11.0795 11.0795 11.5492 11.5492 11.7367 11.7367 14.5484 14.5484 16.2306 16.2306 16.4872 16.4872 17.3132 17.3132 k = 0.5546 0.1553-0.2609 ( 2153 PWs) bands (ev): -48.6010 -48.6010 -22.8745 -22.8745 -21.2064 -21.2064 -15.2365 -15.2365 -15.0354 -15.0354 -4.1962 -4.1962 -3.2269 -3.2269 -2.6126 -2.6126 -0.0075 -0.0075 0.3788 0.3788 9.0512 9.0512 9.2225 9.2225 10.0137 10.0137 11.1320 11.1320 11.5078 11.5078 11.7462 11.7462 14.6274 14.6274 16.1970 16.1970 16.4382 16.4382 17.2607 17.2607 k = 0.5516 0.1545-0.2417 ( 2153 PWs) bands (ev): -48.6015 -48.6015 -22.8725 -22.8725 -21.2115 -21.2115 -15.2343 -15.2343 -15.0279 -15.0279 -4.2028 -4.2028 -3.2061 -3.2061 -2.5948 -2.5948 -0.0153 -0.0153 0.3722 0.3722 9.0595 9.0595 9.2487 9.2487 10.0054 10.0054 11.1796 11.1796 11.4677 11.4677 11.7574 11.7574 14.7054 14.7054 16.1635 16.1635 16.3918 16.3918 17.2014 17.2014 k = 0.5485 0.1536-0.2225 ( 2151 PWs) bands (ev): -48.6020 -48.6020 -22.8706 -22.8706 -21.2163 -21.2163 -15.2322 -15.2322 -15.0205 -15.0205 -4.2101 -4.2101 -3.1856 -3.1856 -2.5766 -2.5766 -0.0238 -0.0238 0.3661 0.3661 9.0654 9.0654 9.2790 9.2790 9.9967 9.9967 11.2149 11.2149 11.4368 11.4368 11.7700 11.7700 14.7821 14.7821 16.1303 16.1303 16.3481 16.3481 17.1355 17.1355 k = 0.5455 0.1528-0.2032 ( 2147 PWs) bands (ev): -48.6024 -48.6024 -22.8687 -22.8687 -21.2210 -21.2210 -15.2303 -15.2303 -15.0132 -15.0132 -4.2179 -4.2179 -3.1657 -3.1657 -2.5580 -2.5580 -0.0327 -0.0327 0.3603 0.3603 9.0698 9.0698 9.3125 9.3125 9.9878 9.9878 11.2237 11.2237 11.4292 11.4292 11.7833 11.7833 14.8573 14.8573 16.0975 16.0975 16.3072 16.3072 17.0640 17.0640 k = 0.5425 0.1519-0.1840 ( 2149 PWs) bands (ev): -48.6029 -48.6029 -22.8670 -22.8670 -21.2254 -21.2254 -15.2287 -15.2287 -15.0062 -15.0062 -4.2260 -4.2260 -3.1466 -3.1466 -2.5393 -2.5393 -0.0417 -0.0417 0.3548 0.3548 9.0732 9.0732 9.3486 9.3486 9.9788 9.9788 11.1994 11.1994 11.4518 11.4518 11.7972 11.7972 14.9307 14.9307 16.0656 16.0656 16.2694 16.2694 16.9876 16.9876 k = 0.5394 0.1511-0.1648 ( 2147 PWs) bands (ev): -48.6033 -48.6033 -22.8654 -22.8654 -21.2295 -21.2295 -15.2273 -15.2273 -14.9994 -14.9994 -4.2342 -4.2342 -3.1284 -3.1284 -2.5205 -2.5205 -0.0508 -0.0508 0.3494 0.3494 9.0760 9.0760 9.3869 9.3869 9.9699 9.9699 11.1540 11.1540 11.4923 11.4923 11.8114 11.8114 15.0021 15.0021 16.0350 16.0350 16.2346 16.2346 16.9075 16.9075 k = 0.5364 0.1502-0.1456 ( 2149 PWs) bands (ev): -48.6037 -48.6037 -22.8638 -22.8638 -21.2335 -21.2335 -15.2260 -15.2260 -14.9929 -14.9929 -4.2423 -4.2423 -3.1113 -3.1113 -2.5019 -2.5019 -0.0597 -0.0597 0.3442 0.3442 9.0784 9.0784 9.4274 9.4274 9.9611 9.9611 11.0987 11.0987 11.5395 11.5395 11.8256 11.8256 15.0713 15.0713 16.0058 16.0058 16.2030 16.2030 16.8247 16.8247 k = 0.5334 0.1494-0.1264 ( 2149 PWs) bands (ev): -48.6041 -48.6041 -22.8624 -22.8624 -21.2371 -21.2371 -15.2249 -15.2249 -14.9868 -14.9868 -4.2503 -4.2503 -3.0954 -3.0954 -2.4837 -2.4837 -0.0682 -0.0682 0.3391 0.3391 9.0805 9.0805 9.4698 9.4698 9.9527 9.9527 11.0384 11.0384 11.5884 11.5884 11.8398 11.8398 15.1384 15.1384 15.9786 15.9786 16.1746 16.1746 16.7403 16.7403 k = 0.5303 0.1485-0.1071 ( 2146 PWs) bands (ev): -48.6044 -48.6044 -22.8611 -22.8611 -21.2405 -21.2405 -15.2239 -15.2239 -14.9810 -14.9810 -4.2579 -4.2579 -3.0808 -3.0808 -2.4661 -2.4661 -0.0764 -0.0764 0.3341 0.3341 9.0823 9.0823 9.5140 9.5140 9.9446 9.9446 10.9755 10.9755 11.6365 11.6365 11.8538 11.8538 15.2033 15.2033 15.9534 15.9534 16.1495 16.1495 16.6553 16.6553 k = 0.5273 0.1477-0.0879 ( 2136 PWs) bands (ev): -48.6047 -48.6047 -22.8597 -22.8597 -21.2435 -21.2435 -15.2230 -15.2230 -14.9756 -14.9756 -4.2651 -4.2651 -3.0675 -3.0675 -2.4492 -2.4492 -0.0840 -0.0840 0.3294 0.3294 9.0839 9.0839 9.5596 9.5596 9.9371 9.9371 10.9112 10.9112 11.6823 11.6823 11.8674 11.8674 15.2660 15.2660 15.9304 15.9304 16.1274 16.1274 16.5707 16.5707 k = 0.5243 0.1468-0.0687 ( 2132 PWs) bands (ev): -48.6050 -48.6050 -22.8586 -22.8586 -21.2463 -21.2463 -15.2222 -15.2222 -14.9707 -14.9707 -4.2718 -4.2718 -3.0557 -3.0557 -2.4334 -2.4334 -0.0910 -0.0910 0.3248 0.3248 9.0852 9.0852 9.6063 9.6063 9.9303 9.9303 10.8466 10.8466 11.7249 11.7249 11.8807 11.8807 15.3268 15.3268 15.9098 15.9098 16.1080 16.1080 16.4875 16.4875 k = 0.5212 0.1460-0.0495 ( 2130 PWs) bands (ev): -48.6053 -48.6053 -22.8576 -22.8576 -21.2488 -21.2488 -15.2216 -15.2216 -14.9664 -14.9664 -4.2779 -4.2779 -3.0452 -3.0452 -2.4189 -2.4189 -0.0973 -0.0973 0.3206 0.3206 9.0863 9.0863 9.6535 9.6535 9.9242 9.9242 10.7826 10.7826 11.7634 11.7634 11.8935 11.8935 15.3859 15.3859 15.8915 15.8915 16.0908 16.0908 16.4070 16.4070 k = 0.5182 0.1451-0.0303 ( 2132 PWs) bands (ev): -48.6055 -48.6055 -22.8568 -22.8568 -21.2509 -21.2509 -15.2211 -15.2211 -14.9626 -14.9626 -4.2833 -4.2833 -3.0361 -3.0361 -2.4058 -2.4058 -0.1029 -0.1029 0.3167 0.3167 9.0872 9.0872 9.7006 9.7006 9.9192 9.9192 10.7203 10.7203 11.7969 11.7969 11.9061 11.9061 15.4437 15.4437 15.8755 15.8755 16.0743 16.0743 16.3309 16.3309 k = 0.5152 0.1443-0.0110 ( 2128 PWs) bands (ev): -48.6057 -48.6057 -22.8560 -22.8560 -21.2527 -21.2527 -15.2206 -15.2206 -14.9593 -14.9593 -4.2880 -4.2880 -3.0285 -3.0285 -2.3943 -2.3943 -0.1077 -0.1077 0.3132 0.3132 9.0879 9.0879 9.7462 9.7462 9.9154 9.9154 10.6607 10.6607 11.8248 11.8248 11.9183 11.9183 15.5007 15.5007 15.8616 15.8616 16.0561 16.0561 16.2620 16.2620 k = 0.5121 0.1434 0.0082 ( 2128 PWs) bands (ev): -48.6058 -48.6058 -22.8554 -22.8554 -21.2542 -21.2542 -15.2203 -15.2203 -14.9566 -14.9566 -4.2919 -4.2919 -3.0222 -3.0222 -2.3847 -2.3847 -0.1116 -0.1116 0.3103 0.3103 9.0884 9.0884 9.7885 9.7885 9.9134 9.9134 10.6056 10.6056 11.8468 11.8468 11.9300 11.9300 15.5570 15.5570 15.8496 15.8496 16.0323 16.0323 16.2049 16.2049 k = 0.5091 0.1426 0.0274 ( 2134 PWs) bands (ev): -48.6059 -48.6059 -22.8550 -22.8550 -21.2554 -21.2554 -15.2200 -15.2200 -14.9545 -14.9545 -4.2950 -4.2950 -3.0173 -3.0173 -2.3771 -2.3771 -0.1147 -0.1147 0.3079 0.3079 9.0889 9.0889 9.8245 9.8245 9.9141 9.9141 10.5572 10.5572 11.8628 11.8628 11.9406 11.9406 15.6129 15.6129 15.8388 15.8388 15.9986 15.9986 16.1646 16.1646 k = 0.5061 0.1417 0.0466 ( 2132 PWs) bands (ev): -48.6060 -48.6060 -22.8547 -22.8547 -21.2563 -21.2563 -15.2198 -15.2198 -14.9529 -14.9529 -4.2972 -4.2972 -3.0139 -3.0139 -2.3716 -2.3716 -0.1170 -0.1170 0.3062 0.3062 9.0891 9.0891 9.8503 9.8503 9.9187 9.9187 10.5185 10.5185 11.8736 11.8736 11.9491 11.9491 15.6677 15.6677 15.8274 15.8274 15.9575 15.9575 16.1413 16.1413 k = 0.5030 0.1409 0.0659 ( 2136 PWs) bands (ev): -48.6061 -48.6061 -22.8545 -22.8545 -21.2568 -21.2568 -15.2198 -15.2198 -14.9520 -14.9520 -4.2986 -4.2986 -3.0118 -3.0118 -2.3682 -2.3682 -0.1183 -0.1183 0.3052 0.3052 9.0893 9.0893 9.8638 9.8638 9.9256 9.9256 10.4930 10.4930 11.8797 11.8797 11.9547 11.9547 15.7187 15.7187 15.8112 15.8112 15.9212 15.9212 16.1302 16.1302 k = 0.5000 0.1400 0.0851 ( 2136 PWs) bands (ev): -48.6061 -48.6061 -22.8545 -22.8545 -21.2569 -21.2569 -15.2198 -15.2198 -14.9517 -14.9517 -4.2990 -4.2990 -3.0111 -3.0111 -2.3671 -2.3671 -0.1188 -0.1188 0.3048 0.3048 9.0894 9.0894 9.8676 9.8676 9.9291 9.9291 10.4840 10.4840 11.8816 11.8816 11.9567 11.9567 15.7493 15.7493 15.7944 15.7944 15.9064 15.9064 16.1269 16.1269 k = 0.5000-0.8226-0.4998 ( 2156 PWs) bands (ev): -48.5848 -48.5848 -22.9383 -22.9383 -21.0426 -21.0426 -15.4142 -15.4142 -15.1453 -15.1453 -4.6885 -4.6885 -3.3514 -3.3514 -2.7834 -2.7834 0.2195 0.2195 0.3563 0.3563 8.4479 8.4479 9.4644 9.4644 10.3165 10.3165 10.5847 10.5847 10.6641 10.6641 11.2717 11.2717 14.6929 14.6929 15.0185 15.0185 17.7953 17.7953 18.2919 18.2919 k = 0.5166-0.8152-0.4953 ( 2153 PWs) bands (ev): -48.5848 -48.5848 -22.9383 -22.9383 -21.0426 -21.0426 -15.4142 -15.4142 -15.1452 -15.1452 -4.6883 -4.6883 -3.3513 -3.3513 -2.7834 -2.7834 0.2090 0.2090 0.3669 0.3669 8.4438 8.4438 9.4670 9.4670 10.3144 10.3144 10.5755 10.5755 10.6756 10.6756 11.2744 11.2744 14.6575 14.6575 15.0560 15.0560 17.7950 17.7950 18.2914 18.2914 k = 0.5332-0.8078-0.4908 ( 2153 PWs) bands (ev): -48.5848 -48.5848 -22.9382 -22.9382 -21.0426 -21.0426 -15.4142 -15.4142 -15.1453 -15.1453 -4.6879 -4.6879 -3.3511 -3.3511 -2.7833 -2.7833 0.1839 0.1839 0.3923 0.3923 8.4316 8.4316 9.4749 9.4749 10.3083 10.3083 10.5562 10.5562 10.7020 10.7020 11.2823 11.2823 14.5785 14.5785 15.1416 15.1416 17.7939 17.7939 18.2900 18.2900 k = 0.5498-0.8005-0.4863 ( 2155 PWs) bands (ev): -48.5848 -48.5848 -22.9383 -22.9383 -21.0427 -21.0427 -15.4142 -15.4142 -15.1453 -15.1453 -4.6872 -4.6872 -3.3508 -3.3508 -2.7830 -2.7830 0.1522 0.1522 0.4243 0.4243 8.4120 8.4120 9.4873 9.4873 10.2985 10.2985 10.5345 10.5345 10.7355 10.7355 11.2951 11.2951 14.4846 14.4846 15.2464 15.2464 17.7922 17.7922 18.2878 18.2878 k = 0.5664-0.7931-0.4819 ( 2153 PWs) bands (ev): -48.5848 -48.5848 -22.9382 -22.9382 -21.0427 -21.0427 -15.4142 -15.4142 -15.1453 -15.1453 -4.6861 -4.6861 -3.3504 -3.3504 -2.7827 -2.7827 0.1180 0.1180 0.4591 0.4591 8.3858 8.3858 9.5034 9.5034 10.2854 10.2854 10.5129 10.5129 10.7735 10.7735 11.3124 11.3124 14.3862 14.3862 15.3599 15.3599 17.7898 17.7898 18.2846 18.2846 k = 0.5830-0.7857-0.4774 ( 2151 PWs) bands (ev): -48.5848 -48.5848 -22.9382 -22.9382 -21.0427 -21.0427 -15.4142 -15.4142 -15.1453 -15.1453 -4.6848 -4.6848 -3.3498 -3.3498 -2.7823 -2.7823 0.0829 0.0829 0.4949 0.4949 8.3541 8.3541 9.5225 9.5225 10.2696 10.2696 10.4920 10.4920 10.8152 10.8152 11.3336 11.3336 14.2872 14.2872 15.4782 15.4782 17.7868 17.7868 18.2806 18.2806 k = 0.5996-0.7784-0.4729 ( 2153 PWs) bands (ev): -48.5848 -48.5848 -22.9382 -22.9382 -21.0428 -21.0428 -15.4142 -15.4142 -15.1453 -15.1453 -4.6833 -4.6833 -3.3491 -3.3491 -2.7818 -2.7818 0.0476 0.0476 0.5309 0.5309 8.3181 8.3181 9.5434 9.5434 10.2515 10.2515 10.4721 10.4721 10.8603 10.8603 11.3582 11.3582 14.1888 14.1888 15.5997 15.5997 17.7833 17.7833 18.2758 18.2758 k = 0.6162-0.7710-0.4684 ( 2155 PWs) bands (ev): -48.5848 -48.5848 -22.9382 -22.9382 -21.0429 -21.0429 -15.4142 -15.4142 -15.1453 -15.1453 -4.6815 -4.6815 -3.3483 -3.3483 -2.7813 -2.7813 0.0127 0.0127 0.5667 0.5667 8.2786 8.2786 9.5654 9.5654 10.2316 10.2316 10.4533 10.4533 10.9085 10.9085 11.3855 11.3855 14.0919 14.0919 15.7235 15.7235 17.7793 17.7793 18.2703 18.2703 k = 0.6328-0.7636-0.4640 ( 2157 PWs) bands (ev): -48.5849 -48.5849 -22.9381 -22.9381 -21.0429 -21.0429 -15.4143 -15.4143 -15.1454 -15.1454 -4.6795 -4.6795 -3.3475 -3.3475 -2.7807 -2.7807 -0.0216 -0.0216 0.6020 0.6020 8.2368 8.2368 9.5877 9.5877 10.2105 10.2105 10.4356 10.4356 10.9596 10.9596 11.4150 11.4150 13.9967 13.9967 15.8489 15.8489 17.7748 17.7748 18.2641 18.2641 k = 0.6494-0.7563-0.4595 ( 2158 PWs) bands (ev): -48.5849 -48.5849 -22.9381 -22.9381 -21.0430 -21.0430 -15.4143 -15.4143 -15.1454 -15.1454 -4.6772 -4.6772 -3.3465 -3.3465 -2.7800 -2.7800 -0.0550 -0.0550 0.6366 0.6366 8.1935 8.1935 9.6098 9.6098 10.1886 10.1886 10.4191 10.4191 11.0132 11.0132 11.4461 11.4461 13.9035 13.9035 15.9755 15.9755 17.7701 17.7701 18.2573 18.2573 k = 0.6660-0.7489-0.4550 ( 2158 PWs) bands (ev): -48.5849 -48.5849 -22.9381 -22.9381 -21.0431 -21.0431 -15.4143 -15.4143 -15.1454 -15.1454 -4.6748 -4.6748 -3.3455 -3.3455 -2.7793 -2.7793 -0.0875 -0.0875 0.6701 0.6701 8.1493 8.1493 9.6310 9.6310 10.1662 10.1662 10.4039 10.4039 11.0691 11.0691 11.4783 11.4783 13.8125 13.8125 16.1027 16.1027 17.7651 17.7651 18.2499 18.2499 k = 0.6826-0.7415-0.4505 ( 2163 PWs) bands (ev): -48.5849 -48.5849 -22.9381 -22.9381 -21.0432 -21.0432 -15.4143 -15.4143 -15.1455 -15.1455 -4.6723 -4.6723 -3.3444 -3.3444 -2.7786 -2.7786 -0.1187 -0.1187 0.7026 0.7026 8.1050 8.1050 9.6511 9.6511 10.1438 10.1438 10.3901 10.3901 11.1267 11.1267 11.5112 11.5112 13.7237 13.7237 16.2300 16.2300 17.7602 17.7602 18.2422 18.2422 k = 0.6992-0.7341-0.4460 ( 2163 PWs) bands (ev): -48.5849 -48.5849 -22.9380 -22.9380 -21.0433 -21.0433 -15.4142 -15.4142 -15.1455 -15.1455 -4.6696 -4.6696 -3.3433 -3.3433 -2.7778 -2.7778 -0.1487 -0.1487 0.7338 0.7338 8.0612 8.0612 9.6698 9.6698 10.1215 10.1215 10.3777 10.3777 11.1858 11.1858 11.5445 11.5445 13.6372 13.6372 16.3570 16.3570 17.7553 17.7553 18.2341 18.2341 k = 0.7158-0.7268-0.4416 ( 2161 PWs) bands (ev): -48.5849 -48.5849 -22.9379 -22.9379 -21.0434 -21.0434 -15.4142 -15.4142 -15.1455 -15.1455 -4.6668 -4.6668 -3.3422 -3.3422 -2.7770 -2.7770 -0.1772 -0.1772 0.7635 0.7635 8.0183 8.0183 9.6869 9.6869 10.0998 10.0998 10.3668 10.3668 11.2457 11.2457 11.5778 11.5778 13.5531 13.5531 16.4830 16.4830 17.7507 17.7507 18.2258 18.2258 k = 0.7324-0.7194-0.4371 ( 2159 PWs) bands (ev): -48.5849 -48.5849 -22.9379 -22.9379 -21.0436 -21.0436 -15.4141 -15.4141 -15.1455 -15.1455 -4.6639 -4.6639 -3.3410 -3.3410 -2.7763 -2.7763 -0.2042 -0.2042 0.7917 0.7917 7.9768 7.9768 9.7022 9.7022 10.0788 10.0788 10.3574 10.3574 11.3059 11.3059 11.6110 11.6110 13.4714 13.4714 16.6072 16.6072 17.7467 17.7467 18.2174 18.2174 k = 0.7490-0.7120-0.4326 ( 2163 PWs) bands (ev): -48.5849 -48.5849 -22.9378 -22.9378 -21.0437 -21.0437 -15.4141 -15.4141 -15.1456 -15.1456 -4.6610 -4.6610 -3.3399 -3.3399 -2.7755 -2.7755 -0.2296 -0.2296 0.8182 0.8182 7.9371 7.9371 9.7156 9.7156 10.0588 10.0588 10.3498 10.3498 11.3656 11.3656 11.6439 11.6439 13.3923 13.3923 16.7290 16.7290 17.7436 17.7436 18.2091 18.2091 k = 0.7656-0.7047-0.4281 ( 2170 PWs) bands (ev): -48.5850 -48.5850 -22.9379 -22.9379 -21.0438 -21.0438 -15.4140 -15.4140 -15.1457 -15.1457 -4.6581 -4.6581 -3.3388 -3.3388 -2.7748 -2.7748 -0.2531 -0.2531 0.8429 0.8429 7.8994 7.8994 9.7271 9.7271 10.0398 10.0398 10.3438 10.3438 11.4240 11.4240 11.6765 11.6765 13.3159 13.3159 16.8471 16.8471 17.7418 17.7418 18.2009 18.2009 k = 0.7822-0.6973-0.4236 ( 2172 PWs) bands (ev): -48.5850 -48.5850 -22.9378 -22.9378 -21.0440 -21.0440 -15.4140 -15.4140 -15.1458 -15.1458 -4.6552 -4.6552 -3.3377 -3.3377 -2.7741 -2.7741 -0.2749 -0.2749 0.8657 0.8657 7.8642 7.8642 9.7367 9.7367 10.0222 10.0222 10.3397 10.3397 11.4801 11.4801 11.7090 11.7090 13.2425 13.2425 16.9603 16.9603 17.7419 17.7419 18.1930 18.1930 k = 0.7988-0.6899-0.4192 ( 2166 PWs) bands (ev): -48.5850 -48.5850 -22.9377 -22.9377 -21.0442 -21.0442 -15.4138 -15.4138 -15.1457 -15.1457 -4.6523 -4.6523 -3.3367 -3.3367 -2.7735 -2.7735 -0.2947 -0.2947 0.8864 0.8864 7.8316 7.8316 9.7445 9.7445 10.0060 10.0060 10.3373 10.3373 11.5328 11.5328 11.7416 11.7416 13.1724 13.1724 17.0669 17.0669 17.7449 17.7449 18.1856 18.1856 k = 0.8154-0.6826-0.4147 ( 2164 PWs) bands (ev): -48.5850 -48.5850 -22.9376 -22.9376 -21.0443 -21.0443 -15.4136 -15.4136 -15.1457 -15.1457 -4.6495 -4.6495 -3.3357 -3.3357 -2.7729 -2.7729 -0.3126 -0.3126 0.9050 0.9050 7.8018 7.8018 9.7504 9.7504 9.9914 9.9914 10.3367 10.3367 11.5805 11.5805 11.7747 11.7747 13.1061 13.1061 17.1649 17.1649 17.7517 17.7517 18.1788 18.1788 Writing output data file SrHfN2.save init_run : 0.28s CPU 0.45s WALL ( 1 calls) electrons : 122.53s CPU 124.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 122.52s CPU 124.28s 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 : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 362 calls) cegterg : 109.09s CPU 110.47s WALL ( 362 calls) Called by sum_band: Called by *egterg: h_psi : 85.06s CPU 86.27s WALL ( 6097 calls) s_psi : 2.61s CPU 2.71s WALL ( 6097 calls) g_psi : 0.06s CPU 0.09s WALL ( 5373 calls) cdiaghg : 27.54s CPU 27.94s WALL ( 5735 calls) cegterg:over : 2.17s CPU 2.21s WALL ( 5373 calls) cegterg:upda : 1.61s CPU 1.50s WALL ( 5373 calls) cegterg:last : 1.03s CPU 1.00s WALL ( 1086 calls) cdiaghg:chol : 1.49s CPU 1.45s WALL ( 5735 calls) cdiaghg:inve : 0.78s CPU 0.83s WALL ( 5735 calls) cdiaghg:para : 1.62s CPU 1.58s WALL ( 11470 calls) Called by h_psi: h_psi:vloc : 80.60s CPU 81.97s WALL ( 6097 calls) h_psi:vnl : 4.38s CPU 4.23s WALL ( 6097 calls) add_vuspsi : 2.26s CPU 2.24s WALL ( 6097 calls) General routines calbec : 2.10s CPU 1.98s WALL ( 6097 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 75.38s CPU 76.64s WALL ( 575116 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.11s WALL ( 724 calls) Parallel routines fft_scatter : 17.63s CPU 18.35s WALL ( 575139 calls) PWSCF : 2m14.66s CPU 2m38.85s WALL This run was terminated on: 19:34:29 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=