Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:29:17 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: ./InAgO2.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 53 31 9 1081 473 80 Max 54 32 10 1083 485 82 Sum 1917 1117 339 38955 17229 2897 bravais-lattice index = 14 lattice parameter (alat) = 12.4171 a.u. unit-cell volume = 394.8748 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.417150 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.875656 celldm(5)= 0.875656 celldm(6)= 0.875656 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.875656 0.482935 0.000000 ) a(3) = ( 0.875656 0.225460 0.427076 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.813198 -1.093139 ) b(2) = ( 0.000000 2.070673 -1.093139 ) b(3) = ( 0.000000 0.000000 2.341503 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 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 Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) In 13.00 114.81800 In( 1.00) Ag 11.00 107.86820 Ag( 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= 363 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 2) = ( 0.0089286 -0.0161893 -0.0097602), wk = 0.0027548 k( 3) = ( 0.0178571 -0.0323785 -0.0195203), wk = 0.0027548 k( 4) = ( 0.0267857 -0.0485678 -0.0292805), wk = 0.0027548 k( 5) = ( 0.0357143 -0.0647571 -0.0390407), wk = 0.0027548 k( 6) = ( 0.0446429 -0.0809463 -0.0488008), wk = 0.0027548 k( 7) = ( 0.0535714 -0.0971356 -0.0585610), wk = 0.0027548 k( 8) = ( 0.0625000 -0.1133249 -0.0683212), wk = 0.0027548 k( 9) = ( 0.0714286 -0.1295141 -0.0780813), wk = 0.0027548 k( 10) = ( 0.0803571 -0.1457034 -0.0878415), wk = 0.0027548 k( 11) = ( 0.0892857 -0.1618927 -0.0976017), wk = 0.0027548 k( 12) = ( 0.0982143 -0.1780819 -0.1073618), wk = 0.0027548 k( 13) = ( 0.1071429 -0.1942712 -0.1171220), wk = 0.0027548 k( 14) = ( 0.1160714 -0.2104605 -0.1268822), wk = 0.0027548 k( 15) = ( 0.1250000 -0.2266497 -0.1366423), wk = 0.0027548 k( 16) = ( 0.1339286 -0.2428390 -0.1464025), wk = 0.0027548 k( 17) = ( 0.1428571 -0.2590283 -0.1561627), wk = 0.0027548 k( 18) = ( 0.1517857 -0.2752175 -0.1659228), wk = 0.0027548 k( 19) = ( 0.1607143 -0.2914068 -0.1756830), wk = 0.0027548 k( 20) = ( 0.1696429 -0.3075961 -0.1854432), wk = 0.0027548 k( 21) = ( 0.1785714 -0.3237853 -0.1952033), wk = 0.0027548 k( 22) = ( 0.1875000 -0.3399746 -0.2049635), wk = 0.0027548 k( 23) = ( 0.1964286 -0.3561639 -0.2147237), wk = 0.0027548 k( 24) = ( 0.2053571 -0.3723531 -0.2244838), wk = 0.0027548 k( 25) = ( 0.2142857 -0.3885424 -0.2342440), wk = 0.0027548 k( 26) = ( 0.2232143 -0.4047317 -0.2440042), wk = 0.0027548 k( 27) = ( 0.2321429 -0.4209209 -0.2537643), wk = 0.0027548 k( 28) = ( 0.2410714 -0.4371102 -0.2635245), wk = 0.0027548 k( 29) = ( 0.2500000 -0.4532995 -0.2732846), wk = 0.0027548 k( 30) = ( 0.2589286 -0.4694887 -0.2830448), wk = 0.0027548 k( 31) = ( 0.2678571 -0.4856780 -0.2928050), wk = 0.0027548 k( 32) = ( 0.2767857 -0.5018673 -0.3025651), wk = 0.0027548 k( 33) = ( 0.2857143 -0.5180565 -0.3123253), wk = 0.0027548 k( 34) = ( 0.2946429 -0.5342458 -0.3220855), wk = 0.0027548 k( 35) = ( 0.3035714 -0.5504351 -0.3318456), wk = 0.0027548 k( 36) = ( 0.3125000 -0.5666243 -0.3416058), wk = 0.0027548 k( 37) = ( 0.3214286 -0.5828136 -0.3513660), wk = 0.0027548 k( 38) = ( 0.3303571 -0.5990029 -0.3611261), wk = 0.0027548 k( 39) = ( 0.3392857 -0.6151921 -0.3708863), wk = 0.0027548 k( 40) = ( 0.3482143 -0.6313814 -0.3806465), wk = 0.0027548 k( 41) = ( 0.3571429 -0.6475707 -0.3904066), wk = 0.0027548 k( 42) = ( 0.3660714 -0.6637599 -0.4001668), wk = 0.0027548 k( 43) = ( 0.3750000 -0.6799492 -0.4099270), wk = 0.0027548 k( 44) = ( 0.3839286 -0.6961385 -0.4196871), wk = 0.0027548 k( 45) = ( 0.3928571 -0.7123277 -0.4294473), wk = 0.0027548 k( 46) = ( 0.4017857 -0.7285170 -0.4392075), wk = 0.0027548 k( 47) = ( 0.4107143 -0.7447063 -0.4489676), wk = 0.0027548 k( 48) = ( 0.4196429 -0.7608955 -0.4587278), wk = 0.0027548 k( 49) = ( 0.4285714 -0.7770848 -0.4684880), wk = 0.0027548 k( 50) = ( 0.4375000 -0.7932741 -0.4782481), wk = 0.0027548 k( 51) = ( 0.4464286 -0.8094633 -0.4880083), wk = 0.0027548 k( 52) = ( 0.4553571 -0.8256526 -0.4977685), wk = 0.0027548 k( 53) = ( 0.4642857 -0.8418419 -0.5075286), wk = 0.0027548 k( 54) = ( 0.4732143 -0.8580311 -0.5172888), wk = 0.0027548 k( 55) = ( 0.4821429 -0.8742204 -0.5270490), wk = 0.0027548 k( 56) = ( 0.4910714 -0.8904097 -0.5368091), wk = 0.0027548 k( 57) = ( 0.5000000 -0.9065989 -0.5465693), wk = 0.0027548 k( 58) = ( 0.5000000 -0.9065989 -0.5465693), wk = 0.0027548 k( 59) = ( 0.5000000 -0.8958473 -0.5644031), wk = 0.0027548 k( 60) = ( 0.5000000 -0.8850957 -0.5822369), wk = 0.0027548 k( 61) = ( 0.5000000 -0.8743441 -0.6000706), wk = 0.0027548 k( 62) = ( 0.5000000 -0.8635925 -0.6179044), wk = 0.0027548 k( 63) = ( 0.5000000 -0.8528409 -0.6357382), wk = 0.0027548 k( 64) = ( 0.5000000 -0.8420893 -0.6535720), wk = 0.0027548 k( 65) = ( 0.5000000 -0.8313377 -0.6714058), wk = 0.0027548 k( 66) = ( 0.5000000 -0.8205861 -0.6892396), wk = 0.0027548 k( 67) = ( 0.5000000 -0.8098344 -0.7070733), wk = 0.0027548 k( 68) = ( 0.5000000 -0.7990828 -0.7249071), wk = 0.0027548 k( 69) = ( 0.5000000 -0.7883312 -0.7427409), wk = 0.0027548 k( 70) = ( 0.5000000 -0.7775796 -0.7605747), wk = 0.0027548 k( 71) = ( 0.5000000 -0.7668280 -0.7784085), wk = 0.0027548 k( 72) = ( 0.5000000 -0.7560764 -0.7962423), wk = 0.0027548 k( 73) = ( 0.5000000 -0.7453248 -0.8140761), wk = 0.0027548 k( 74) = ( 0.5000000 -0.7345732 -0.8319098), wk = 0.0027548 k( 75) = ( 0.5000000 -0.7238215 -0.8497436), wk = 0.0027548 k( 76) = ( 0.5000000 -0.7130699 -0.8675774), wk = 0.0027548 k( 77) = ( 0.5000000 -0.7023183 -0.8854112), wk = 0.0027548 k( 78) = ( 0.5000000 -0.6915667 -0.9032450), wk = 0.0027548 k( 79) = ( 0.5000000 -0.6808151 -0.9210788), wk = 0.0027548 k( 80) = ( 0.5000000 -0.6700635 -0.9389125), wk = 0.0027548 k( 81) = ( 0.5000000 -0.6593119 -0.9567463), wk = 0.0027548 k( 82) = ( 0.5000000 -0.6485603 -0.9745801), wk = 0.0027548 k( 83) = ( 0.5000000 -0.6378087 -0.9924139), wk = 0.0027548 k( 84) = ( 0.5000000 -0.6270570 -1.0102477), wk = 0.0027548 k( 85) = ( 0.5000000 -0.6163055 -1.0280815), wk = 0.0027548 k( 86) = ( 0.5000000 -0.6055538 -1.0459152), wk = 0.0027548 k( 87) = ( 0.5000000 -0.5948022 -1.0637490), wk = 0.0027548 k( 88) = ( 0.5000000 -0.5840506 -1.0815828), wk = 0.0027548 k( 89) = ( 0.5000000 -0.5732990 -1.0994166), wk = 0.0027548 k( 90) = ( 0.5000000 -0.5625474 -1.1172504), wk = 0.0027548 k( 91) = ( 0.5000000 -0.5517958 -1.1350842), wk = 0.0027548 k( 92) = ( 0.5000000 -0.5410442 -1.1529179), wk = 0.0027548 k( 93) = ( 0.5000000 -0.5302926 -1.1707517), wk = 0.0027548 k( 94) = ( 0.8182686 -0.4483463 -1.0155254), wk = 0.0027548 k( 95) = ( 0.8131352 -0.4390385 -0.9978942), wk = 0.0027548 k( 96) = ( 0.8080018 -0.4297307 -0.9802629), wk = 0.0027548 k( 97) = ( 0.8028685 -0.4204229 -0.9626316), wk = 0.0027548 k( 98) = ( 0.7977351 -0.4111151 -0.9450004), wk = 0.0027548 k( 99) = ( 0.7926017 -0.4018073 -0.9273691), wk = 0.0027548 k( 100) = ( 0.7874684 -0.3924995 -0.9097378), wk = 0.0027548 k( 101) = ( 0.7823350 -0.3831917 -0.8921066), wk = 0.0027548 k( 102) = ( 0.7772016 -0.3738839 -0.8744753), wk = 0.0027548 k( 103) = ( 0.7720683 -0.3645761 -0.8568441), wk = 0.0027548 k( 104) = ( 0.7669349 -0.3552683 -0.8392128), wk = 0.0027548 k( 105) = ( 0.7618016 -0.3459605 -0.8215815), wk = 0.0027548 k( 106) = ( 0.7566682 -0.3366527 -0.8039503), wk = 0.0027548 k( 107) = ( 0.7515348 -0.3273449 -0.7863190), wk = 0.0027548 k( 108) = ( 0.7464015 -0.3180371 -0.7686877), wk = 0.0027548 k( 109) = ( 0.7412681 -0.3087293 -0.7510564), wk = 0.0027548 k( 110) = ( 0.7361347 -0.2994215 -0.7334252), wk = 0.0027548 k( 111) = ( 0.7310014 -0.2901137 -0.7157939), wk = 0.0027548 k( 112) = ( 0.7258680 -0.2808058 -0.6981626), wk = 0.0027548 k( 113) = ( 0.7207347 -0.2714981 -0.6805314), wk = 0.0027548 k( 114) = ( 0.7156013 -0.2621902 -0.6629001), wk = 0.0027548 k( 115) = ( 0.7104679 -0.2528824 -0.6452688), wk = 0.0027548 k( 116) = ( 0.7053346 -0.2435746 -0.6276376), wk = 0.0027548 k( 117) = ( 0.7002012 -0.2342668 -0.6100063), wk = 0.0027548 k( 118) = ( 0.6950678 -0.2249590 -0.5923750), wk = 0.0027548 k( 119) = ( 0.6899345 -0.2156512 -0.5747438), wk = 0.0027548 k( 120) = ( 0.6848011 -0.2063434 -0.5571125), wk = 0.0027548 k( 121) = ( 0.6796677 -0.1970356 -0.5394812), wk = 0.0027548 k( 122) = ( 0.6745344 -0.1877278 -0.5218499), wk = 0.0027548 k( 123) = ( 0.6694010 -0.1784200 -0.5042187), wk = 0.0027548 k( 124) = ( 0.6642676 -0.1691122 -0.4865874), wk = 0.0027548 k( 125) = ( 0.6591343 -0.1598044 -0.4689562), wk = 0.0027548 k( 126) = ( 0.6540009 -0.1504966 -0.4513249), wk = 0.0027548 k( 127) = ( 0.6488675 -0.1411888 -0.4336936), wk = 0.0027548 k( 128) = ( 0.6437342 -0.1318810 -0.4160624), wk = 0.0027548 k( 129) = ( 0.6386008 -0.1225732 -0.3984311), wk = 0.0027548 k( 130) = ( 0.6334675 -0.1132654 -0.3807998), wk = 0.0027548 k( 131) = ( 0.6283341 -0.1039576 -0.3631686), wk = 0.0027548 k( 132) = ( 0.6232007 -0.0946498 -0.3455373), wk = 0.0027548 k( 133) = ( 0.6180674 -0.0853420 -0.3279060), wk = 0.0027548 k( 134) = ( 0.6129340 -0.0760342 -0.3102748), wk = 0.0027548 k( 135) = ( 0.6078006 -0.0667263 -0.2926435), wk = 0.0027548 k( 136) = ( 0.6026673 -0.0574185 -0.2750122), wk = 0.0027548 k( 137) = ( 0.5975339 -0.0481107 -0.2573809), wk = 0.0027548 k( 138) = ( 0.5924006 -0.0388029 -0.2397497), wk = 0.0027548 k( 139) = ( 0.5872672 -0.0294951 -0.2221184), wk = 0.0027548 k( 140) = ( 0.5821338 -0.0201873 -0.2044871), wk = 0.0027548 k( 141) = ( 0.5770005 -0.0108795 -0.1868559), wk = 0.0027548 k( 142) = ( 0.5718671 -0.0015717 -0.1692246), wk = 0.0027548 k( 143) = ( 0.5667337 0.0077361 -0.1515933), wk = 0.0027548 k( 144) = ( 0.5616004 0.0170439 -0.1339621), wk = 0.0027548 k( 145) = ( 0.5564670 0.0263517 -0.1163308), wk = 0.0027548 k( 146) = ( 0.5513336 0.0356595 -0.0986995), wk = 0.0027548 k( 147) = ( 0.5462003 0.0449673 -0.0810683), wk = 0.0027548 k( 148) = ( 0.5410669 0.0542751 -0.0634370), wk = 0.0027548 k( 149) = ( 0.5359335 0.0635829 -0.0458057), wk = 0.0027548 k( 150) = ( 0.5308002 0.0728907 -0.0281745), wk = 0.0027548 k( 151) = ( 0.5256668 0.0821985 -0.0105432), wk = 0.0027548 k( 152) = ( 0.5205335 0.0915063 0.0070881), wk = 0.0027548 k( 153) = ( 0.5154001 0.1008141 0.0247193), wk = 0.0027548 k( 154) = ( 0.5102667 0.1101219 0.0423506), wk = 0.0027548 k( 155) = ( 0.5051334 0.1194297 0.0599819), wk = 0.0027548 k( 156) = ( 0.5000000 0.1287375 0.0776131), wk = 0.0027548 k( 157) = ( 0.5000000 0.1287375 0.0776131), wk = 0.0027548 k( 158) = ( 0.4800000 0.1235880 0.0745086), wk = 0.0027548 k( 159) = ( 0.4600000 0.1184385 0.0714041), wk = 0.0027548 k( 160) = ( 0.4400000 0.1132890 0.0682996), wk = 0.0027548 k( 161) = ( 0.4200000 0.1081395 0.0651950), wk = 0.0027548 k( 162) = ( 0.4000000 0.1029900 0.0620905), wk = 0.0027548 k( 163) = ( 0.3800000 0.0978405 0.0589860), wk = 0.0027548 k( 164) = ( 0.3600000 0.0926910 0.0558815), wk = 0.0027548 k( 165) = ( 0.3400000 0.0875415 0.0527769), wk = 0.0027548 k( 166) = ( 0.3200000 0.0823920 0.0496724), wk = 0.0027548 k( 167) = ( 0.3000000 0.0772425 0.0465679), wk = 0.0027548 k( 168) = ( 0.2800000 0.0720930 0.0434634), wk = 0.0027548 k( 169) = ( 0.2600000 0.0669435 0.0403588), wk = 0.0027548 k( 170) = ( 0.2400000 0.0617940 0.0372543), wk = 0.0027548 k( 171) = ( 0.2200000 0.0566445 0.0341498), wk = 0.0027548 k( 172) = ( 0.2000000 0.0514950 0.0310453), wk = 0.0027548 k( 173) = ( 0.1800000 0.0463455 0.0279407), wk = 0.0027548 k( 174) = ( 0.1600000 0.0411960 0.0248362), wk = 0.0027548 k( 175) = ( 0.1400000 0.0360465 0.0217317), wk = 0.0027548 k( 176) = ( 0.1200000 0.0308970 0.0186272), wk = 0.0027548 k( 177) = ( 0.1000000 0.0257475 0.0155226), wk = 0.0027548 k( 178) = ( 0.0800000 0.0205980 0.0124181), wk = 0.0027548 k( 179) = ( 0.0600000 0.0154485 0.0093136), wk = 0.0027548 k( 180) = ( 0.0400000 0.0102990 0.0062091), wk = 0.0027548 k( 181) = ( 0.0200000 0.0051495 0.0031045), wk = 0.0027548 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 184) = ( 0.0051646 -0.0093645 -0.0177387), wk = 0.0027548 k( 185) = ( 0.0103293 -0.0187290 -0.0354773), wk = 0.0027548 k( 186) = ( 0.0154939 -0.0280935 -0.0532160), wk = 0.0027548 k( 187) = ( 0.0206585 -0.0374580 -0.0709547), wk = 0.0027548 k( 188) = ( 0.0258232 -0.0468225 -0.0886933), wk = 0.0027548 k( 189) = ( 0.0309878 -0.0561870 -0.1064320), wk = 0.0027548 k( 190) = ( 0.0361524 -0.0655515 -0.1241706), wk = 0.0027548 k( 191) = ( 0.0413171 -0.0749160 -0.1419093), wk = 0.0027548 k( 192) = ( 0.0464817 -0.0842805 -0.1596480), wk = 0.0027548 k( 193) = ( 0.0516463 -0.0936450 -0.1773866), wk = 0.0027548 k( 194) = ( 0.0568109 -0.1030095 -0.1951253), wk = 0.0027548 k( 195) = ( 0.0619756 -0.1123740 -0.2128640), wk = 0.0027548 k( 196) = ( 0.0671402 -0.1217385 -0.2306026), wk = 0.0027548 k( 197) = ( 0.0723049 -0.1311030 -0.2483413), wk = 0.0027548 k( 198) = ( 0.0774695 -0.1404675 -0.2660799), wk = 0.0027548 k( 199) = ( 0.0826341 -0.1498320 -0.2838186), wk = 0.0027548 k( 200) = ( 0.0877987 -0.1591965 -0.3015573), wk = 0.0027548 k( 201) = ( 0.0929634 -0.1685610 -0.3192959), wk = 0.0027548 k( 202) = ( 0.0981280 -0.1779255 -0.3370346), wk = 0.0027548 k( 203) = ( 0.1032926 -0.1872900 -0.3547732), wk = 0.0027548 k( 204) = ( 0.1084573 -0.1966545 -0.3725119), wk = 0.0027548 k( 205) = ( 0.1136219 -0.2060190 -0.3902506), wk = 0.0027548 k( 206) = ( 0.1187865 -0.2153835 -0.4079892), wk = 0.0027548 k( 207) = ( 0.1239512 -0.2247480 -0.4257279), wk = 0.0027548 k( 208) = ( 0.1291158 -0.2341125 -0.4434666), wk = 0.0027548 k( 209) = ( 0.1342804 -0.2434770 -0.4612052), wk = 0.0027548 k( 210) = ( 0.1394451 -0.2528415 -0.4789439), wk = 0.0027548 k( 211) = ( 0.1446097 -0.2622060 -0.4966826), wk = 0.0027548 k( 212) = ( 0.1497743 -0.2715705 -0.5144212), wk = 0.0027548 k( 213) = ( 0.1549390 -0.2809350 -0.5321599), wk = 0.0027548 k( 214) = ( 0.1601036 -0.2902995 -0.5498986), wk = 0.0027548 k( 215) = ( 0.1652682 -0.2996640 -0.5676372), wk = 0.0027548 k( 216) = ( 0.1704329 -0.3090285 -0.5853759), wk = 0.0027548 k( 217) = ( 0.1755975 -0.3183930 -0.6031145), wk = 0.0027548 k( 218) = ( 0.1807621 -0.3277575 -0.6208532), wk = 0.0027548 k( 219) = ( 0.1859268 -0.3371220 -0.6385919), wk = 0.0027548 k( 220) = ( 0.1910914 -0.3464865 -0.6563305), wk = 0.0027548 k( 221) = ( 0.1962560 -0.3558510 -0.6740692), wk = 0.0027548 k( 222) = ( 0.2014207 -0.3652155 -0.6918078), wk = 0.0027548 k( 223) = ( 0.2065853 -0.3745800 -0.7095465), wk = 0.0027548 k( 224) = ( 0.2117499 -0.3839445 -0.7272852), wk = 0.0027548 k( 225) = ( 0.2169146 -0.3933090 -0.7450238), wk = 0.0027548 k( 226) = ( 0.2220792 -0.4026735 -0.7627625), wk = 0.0027548 k( 227) = ( 0.2272438 -0.4120380 -0.7805011), wk = 0.0027548 k( 228) = ( 0.2324084 -0.4214025 -0.7982398), wk = 0.0027548 k( 229) = ( 0.2375731 -0.4307670 -0.8159785), wk = 0.0027548 k( 230) = ( 0.2427377 -0.4401315 -0.8337171), wk = 0.0027548 k( 231) = ( 0.2479023 -0.4494960 -0.8514558), wk = 0.0027548 k( 232) = ( 0.2530670 -0.4588605 -0.8691945), wk = 0.0027548 k( 233) = ( 0.2582316 -0.4682250 -0.8869331), wk = 0.0027548 k( 234) = ( 0.2633962 -0.4775895 -0.9046718), wk = 0.0027548 k( 235) = ( 0.2685609 -0.4869540 -0.9224105), wk = 0.0027548 k( 236) = ( 0.2737255 -0.4963185 -0.9401491), wk = 0.0027548 k( 237) = ( 0.2788901 -0.5056830 -0.9578878), wk = 0.0027548 k( 238) = ( 0.2840548 -0.5150475 -0.9756265), wk = 0.0027548 k( 239) = ( 0.2892194 -0.5244120 -0.9933651), wk = 0.0027548 k( 240) = ( 0.2943840 -0.5337765 -1.0111038), wk = 0.0027548 k( 241) = ( 0.2995487 -0.5431410 -1.0288424), wk = 0.0027548 k( 242) = ( 0.3047133 -0.5525055 -1.0465811), wk = 0.0027548 k( 243) = ( 0.3098779 -0.5618700 -1.0643198), wk = 0.0027548 k( 244) = ( 0.3150426 -0.5712345 -1.0820584), wk = 0.0027548 k( 245) = ( 0.3202072 -0.5805990 -1.0997971), wk = 0.0027548 k( 246) = ( 0.3253718 -0.5899635 -1.1175357), wk = 0.0027548 k( 247) = ( 0.3305364 -0.5993280 -1.1352744), wk = 0.0027548 k( 248) = ( 0.3357011 -0.6086925 -1.1530131), wk = 0.0027548 k( 249) = ( 0.3408657 -0.6180570 -1.1707517), wk = 0.0027548 k( 250) = ( 0.6591343 -0.4893194 -1.0931386), wk = 0.0027548 k( 251) = ( 0.6540009 -0.4693821 -1.0931386), wk = 0.0027548 k( 252) = ( 0.6488675 -0.4494448 -1.0931386), wk = 0.0027548 k( 253) = ( 0.6437342 -0.4295075 -1.0931386), wk = 0.0027548 k( 254) = ( 0.6386008 -0.4095702 -1.0931386), wk = 0.0027548 k( 255) = ( 0.6334675 -0.3896328 -1.0931386), wk = 0.0027548 k( 256) = ( 0.6283341 -0.3696955 -1.0931386), wk = 0.0027548 k( 257) = ( 0.6232007 -0.3497582 -1.0931386), wk = 0.0027548 k( 258) = ( 0.6180674 -0.3298209 -1.0931386), wk = 0.0027548 k( 259) = ( 0.6129340 -0.3098836 -1.0931386), wk = 0.0027548 k( 260) = ( 0.6078006 -0.2899462 -1.0931386), wk = 0.0027548 k( 261) = ( 0.6026673 -0.2700089 -1.0931386), wk = 0.0027548 k( 262) = ( 0.5975339 -0.2500716 -1.0931386), wk = 0.0027548 k( 263) = ( 0.5924006 -0.2301343 -1.0931386), wk = 0.0027548 k( 264) = ( 0.5872672 -0.2101969 -1.0931386), wk = 0.0027548 k( 265) = ( 0.5821338 -0.1902596 -1.0931386), wk = 0.0027548 k( 266) = ( 0.5770005 -0.1703223 -1.0931386), wk = 0.0027548 k( 267) = ( 0.5718671 -0.1503849 -1.0931386), wk = 0.0027548 k( 268) = ( 0.5667337 -0.1304476 -1.0931386), wk = 0.0027548 k( 269) = ( 0.5616004 -0.1105103 -1.0931386), wk = 0.0027548 k( 270) = ( 0.5564670 -0.0905730 -1.0931386), wk = 0.0027548 k( 271) = ( 0.5513336 -0.0706357 -1.0931386), wk = 0.0027548 k( 272) = ( 0.5462003 -0.0506984 -1.0931386), wk = 0.0027548 k( 273) = ( 0.5410669 -0.0307610 -1.0931386), wk = 0.0027548 k( 274) = ( 0.5359335 -0.0108237 -1.0931386), wk = 0.0027548 k( 275) = ( 0.5308002 0.0091136 -1.0931386), wk = 0.0027548 k( 276) = ( 0.5256668 0.0290509 -1.0931386), wk = 0.0027548 k( 277) = ( 0.5205335 0.0489882 -1.0931386), wk = 0.0027548 k( 278) = ( 0.5154001 0.0689256 -1.0931386), wk = 0.0027548 k( 279) = ( 0.5102667 0.0888629 -1.0931386), wk = 0.0027548 k( 280) = ( 0.5051334 0.1088002 -1.0931386), wk = 0.0027548 k( 281) = ( 0.5000000 0.1287375 -1.0931386), wk = 0.0027548 k( 282) = ( 0.5000000 0.1287375 -1.0931386), wk = 0.0027548 k( 283) = ( 0.5176816 0.1332901 -1.0845149), wk = 0.0027548 k( 284) = ( 0.5353632 0.1378427 -1.0758912), wk = 0.0027548 k( 285) = ( 0.5530448 0.1423953 -1.0672675), wk = 0.0027548 k( 286) = ( 0.5707264 0.1469478 -1.0586439), wk = 0.0027548 k( 287) = ( 0.5884079 0.1515004 -1.0500202), wk = 0.0027548 k( 288) = ( 0.6060895 0.1560530 -1.0413965), wk = 0.0027548 k( 289) = ( 0.6237711 0.1606055 -1.0327728), wk = 0.0027548 k( 290) = ( 0.6414527 0.1651581 -1.0241491), wk = 0.0027548 k( 291) = ( 0.6591343 0.1697107 -1.0155254), wk = 0.0027548 k( 292) = ( 0.6591343 0.1697107 -1.0155254), wk = 0.0027548 k( 293) = ( 0.6561318 0.1689376 -0.9949002), wk = 0.0027548 k( 294) = ( 0.6531292 0.1681645 -0.9742749), wk = 0.0027548 k( 295) = ( 0.6501267 0.1673914 -0.9536497), wk = 0.0027548 k( 296) = ( 0.6471242 0.1666184 -0.9330244), wk = 0.0027548 k( 297) = ( 0.6441216 0.1658453 -0.9123992), wk = 0.0027548 k( 298) = ( 0.6411191 0.1650722 -0.8917739), wk = 0.0027548 k( 299) = ( 0.6381166 0.1642991 -0.8711487), wk = 0.0027548 k( 300) = ( 0.6351140 0.1635260 -0.8505234), wk = 0.0027548 k( 301) = ( 0.6321115 0.1627530 -0.8298982), wk = 0.0027548 k( 302) = ( 0.6291090 0.1619799 -0.8092729), wk = 0.0027548 k( 303) = ( 0.6261064 0.1612068 -0.7886476), wk = 0.0027548 k( 304) = ( 0.6231039 0.1604337 -0.7680224), wk = 0.0027548 k( 305) = ( 0.6201013 0.1596606 -0.7473971), wk = 0.0027548 k( 306) = ( 0.6170988 0.1588876 -0.7267719), wk = 0.0027548 k( 307) = ( 0.6140963 0.1581145 -0.7061466), wk = 0.0027548 k( 308) = ( 0.6110937 0.1573414 -0.6855213), wk = 0.0027548 k( 309) = ( 0.6080912 0.1565683 -0.6648961), wk = 0.0027548 k( 310) = ( 0.6050887 0.1557953 -0.6442708), wk = 0.0027548 k( 311) = ( 0.6020861 0.1550222 -0.6236456), wk = 0.0027548 k( 312) = ( 0.5990836 0.1542491 -0.6030203), wk = 0.0027548 k( 313) = ( 0.5960811 0.1534760 -0.5823951), wk = 0.0027548 k( 314) = ( 0.5930785 0.1527030 -0.5617698), wk = 0.0027548 k( 315) = ( 0.5900760 0.1519299 -0.5411446), wk = 0.0027548 k( 316) = ( 0.5870735 0.1511568 -0.5205193), wk = 0.0027548 k( 317) = ( 0.5840709 0.1503837 -0.4998940), wk = 0.0027548 k( 318) = ( 0.5810684 0.1496106 -0.4792688), wk = 0.0027548 k( 319) = ( 0.5780659 0.1488376 -0.4586435), wk = 0.0027548 k( 320) = ( 0.5750633 0.1480645 -0.4380183), wk = 0.0027548 k( 321) = ( 0.5720608 0.1472914 -0.4173930), wk = 0.0027548 k( 322) = ( 0.5690583 0.1465183 -0.3967678), wk = 0.0027548 k( 323) = ( 0.5660557 0.1457453 -0.3761425), wk = 0.0027548 k( 324) = ( 0.5630532 0.1449722 -0.3555173), wk = 0.0027548 k( 325) = ( 0.5600507 0.1441991 -0.3348920), wk = 0.0027548 k( 326) = ( 0.5570481 0.1434260 -0.3142667), wk = 0.0027548 k( 327) = ( 0.5540456 0.1426529 -0.2936415), wk = 0.0027548 k( 328) = ( 0.5510431 0.1418799 -0.2730162), wk = 0.0027548 k( 329) = ( 0.5480405 0.1411068 -0.2523910), wk = 0.0027548 k( 330) = ( 0.5450380 0.1403337 -0.2317657), wk = 0.0027548 k( 331) = ( 0.5420355 0.1395606 -0.2111404), wk = 0.0027548 k( 332) = ( 0.5390329 0.1387876 -0.1905152), wk = 0.0027548 k( 333) = ( 0.5360304 0.1380145 -0.1698899), wk = 0.0027548 k( 334) = ( 0.5330279 0.1372414 -0.1492647), wk = 0.0027548 k( 335) = ( 0.5300253 0.1364683 -0.1286394), wk = 0.0027548 k( 336) = ( 0.5270228 0.1356952 -0.1080142), wk = 0.0027548 k( 337) = ( 0.5240203 0.1349222 -0.0873889), wk = 0.0027548 k( 338) = ( 0.5210177 0.1341491 -0.0667637), wk = 0.0027548 k( 339) = ( 0.5180152 0.1333760 -0.0461384), wk = 0.0027548 k( 340) = ( 0.5150127 0.1326029 -0.0255132), wk = 0.0027548 k( 341) = ( 0.5120101 0.1318299 -0.0048879), wk = 0.0027548 k( 342) = ( 0.5090076 0.1310568 0.0157374), wk = 0.0027548 k( 343) = ( 0.5060051 0.1302837 0.0363626), wk = 0.0027548 k( 344) = ( 0.5030025 0.1295106 0.0569879), wk = 0.0027548 k( 345) = ( 0.5000000 0.1287375 0.0776131), wk = 0.0027548 k( 346) = ( 0.5000000 -0.9065989 -0.5465693), wk = 0.0027548 k( 347) = ( 0.5187217 -0.8990261 -0.5420038), wk = 0.0027548 k( 348) = ( 0.5374434 -0.8914533 -0.5374383), wk = 0.0027548 k( 349) = ( 0.5561650 -0.8838806 -0.5328729), wk = 0.0027548 k( 350) = ( 0.5748867 -0.8763077 -0.5283074), wk = 0.0027548 k( 351) = ( 0.5936084 -0.8687350 -0.5237419), wk = 0.0027548 k( 352) = ( 0.6123301 -0.8611621 -0.5191764), wk = 0.0027548 k( 353) = ( 0.6310518 -0.8535894 -0.5146109), wk = 0.0027548 k( 354) = ( 0.6497734 -0.8460165 -0.5100455), wk = 0.0027548 k( 355) = ( 0.6684951 -0.8384438 -0.5054800), wk = 0.0027548 k( 356) = ( 0.6872168 -0.8308710 -0.5009145), wk = 0.0027548 k( 357) = ( 0.7059385 -0.8232982 -0.4963490), wk = 0.0027548 k( 358) = ( 0.7246602 -0.8157254 -0.4917835), wk = 0.0027548 k( 359) = ( 0.7433818 -0.8081526 -0.4872181), wk = 0.0027548 k( 360) = ( 0.7621035 -0.8005798 -0.4826526), wk = 0.0027548 k( 361) = ( 0.7808252 -0.7930070 -0.4780871), wk = 0.0027548 k( 362) = ( 0.7995469 -0.7854342 -0.4735216), wk = 0.0027548 k( 363) = ( 0.8182686 -0.7778614 -0.4689562), wk = 0.0027548 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 2) = ( 0.0089286 0.0000000 0.0000000), wk = 0.0027548 k( 3) = ( 0.0178571 0.0000000 0.0000000), wk = 0.0027548 k( 4) = ( 0.0267857 0.0000000 0.0000000), wk = 0.0027548 k( 5) = ( 0.0357143 -0.0000000 0.0000000), wk = 0.0027548 k( 6) = ( 0.0446429 0.0000000 0.0000000), wk = 0.0027548 k( 7) = ( 0.0535714 0.0000000 0.0000000), wk = 0.0027548 k( 8) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0027548 k( 9) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0027548 k( 10) = ( 0.0803571 0.0000000 0.0000000), wk = 0.0027548 k( 11) = ( 0.0892857 0.0000000 0.0000000), wk = 0.0027548 k( 12) = ( 0.0982143 0.0000000 0.0000000), wk = 0.0027548 k( 13) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0027548 k( 14) = ( 0.1160714 0.0000000 0.0000000), wk = 0.0027548 k( 15) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0027548 k( 16) = ( 0.1339286 -0.0000000 0.0000000), wk = 0.0027548 k( 17) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0027548 k( 18) = ( 0.1517857 0.0000000 0.0000000), wk = 0.0027548 k( 19) = ( 0.1607143 -0.0000000 0.0000000), wk = 0.0027548 k( 20) = ( 0.1696429 -0.0000000 0.0000000), wk = 0.0027548 k( 21) = ( 0.1785714 -0.0000000 0.0000000), wk = 0.0027548 k( 22) = ( 0.1875000 -0.0000000 0.0000000), wk = 0.0027548 k( 23) = ( 0.1964286 -0.0000000 -0.0000000), wk = 0.0027548 k( 24) = ( 0.2053571 -0.0000000 0.0000000), wk = 0.0027548 k( 25) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0027548 k( 26) = ( 0.2232143 0.0000000 0.0000000), wk = 0.0027548 k( 27) = ( 0.2321429 0.0000000 0.0000000), wk = 0.0027548 k( 28) = ( 0.2410714 0.0000000 0.0000000), wk = 0.0027548 k( 29) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0027548 k( 30) = ( 0.2589286 -0.0000000 0.0000000), wk = 0.0027548 k( 31) = ( 0.2678571 -0.0000000 0.0000000), wk = 0.0027548 k( 32) = ( 0.2767857 -0.0000000 -0.0000000), wk = 0.0027548 k( 33) = ( 0.2857143 -0.0000000 0.0000000), wk = 0.0027548 k( 34) = ( 0.2946429 0.0000000 -0.0000000), wk = 0.0027548 k( 35) = ( 0.3035714 -0.0000000 0.0000000), wk = 0.0027548 k( 36) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0027548 k( 37) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0027548 k( 38) = ( 0.3303571 0.0000000 0.0000000), wk = 0.0027548 k( 39) = ( 0.3392857 0.0000000 0.0000000), wk = 0.0027548 k( 40) = ( 0.3482143 0.0000000 0.0000000), wk = 0.0027548 k( 41) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0027548 k( 42) = ( 0.3660714 0.0000000 0.0000000), wk = 0.0027548 k( 43) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0027548 k( 44) = ( 0.3839286 0.0000000 -0.0000000), wk = 0.0027548 k( 45) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0027548 k( 46) = ( 0.4017857 0.0000000 0.0000000), wk = 0.0027548 k( 47) = ( 0.4107143 -0.0000000 0.0000000), wk = 0.0027548 k( 48) = ( 0.4196429 -0.0000000 0.0000000), wk = 0.0027548 k( 49) = ( 0.4285714 -0.0000000 0.0000000), wk = 0.0027548 k( 50) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0027548 k( 51) = ( 0.4464286 0.0000000 0.0000000), wk = 0.0027548 k( 52) = ( 0.4553571 0.0000000 0.0000000), wk = 0.0027548 k( 53) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0027548 k( 54) = ( 0.4732143 0.0000000 0.0000000), wk = 0.0027548 k( 55) = ( 0.4821429 0.0000000 0.0000000), wk = 0.0027548 k( 56) = ( 0.4910714 0.0000000 0.0000000), wk = 0.0027548 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027548 k( 58) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027548 k( 59) = ( 0.5000000 0.0051923 -0.0051923), wk = 0.0027548 k( 60) = ( 0.5000000 0.0103846 -0.0103846), wk = 0.0027548 k( 61) = ( 0.5000000 0.0155770 -0.0155770), wk = 0.0027548 k( 62) = ( 0.5000000 0.0207693 -0.0207693), wk = 0.0027548 k( 63) = ( 0.5000000 0.0259616 -0.0259616), wk = 0.0027548 k( 64) = ( 0.5000000 0.0311540 -0.0311540), wk = 0.0027548 k( 65) = ( 0.5000000 0.0363463 -0.0363463), wk = 0.0027548 k( 66) = ( 0.5000000 0.0415386 -0.0415386), wk = 0.0027548 k( 67) = ( 0.5000000 0.0467309 -0.0467309), wk = 0.0027548 k( 68) = ( 0.5000000 0.0519233 -0.0519233), wk = 0.0027548 k( 69) = ( 0.5000000 0.0571156 -0.0571156), wk = 0.0027548 k( 70) = ( 0.5000000 0.0623079 -0.0623079), wk = 0.0027548 k( 71) = ( 0.5000000 0.0675003 -0.0675002), wk = 0.0027548 k( 72) = ( 0.5000000 0.0726926 -0.0726926), wk = 0.0027548 k( 73) = ( 0.5000000 0.0778849 -0.0778849), wk = 0.0027548 k( 74) = ( 0.5000000 0.0830772 -0.0830772), wk = 0.0027548 k( 75) = ( 0.5000000 0.0882696 -0.0882696), wk = 0.0027548 k( 76) = ( 0.5000000 0.0934619 -0.0934619), wk = 0.0027548 k( 77) = ( 0.5000000 0.0986542 -0.0986542), wk = 0.0027548 k( 78) = ( 0.5000000 0.1038465 -0.1038465), wk = 0.0027548 k( 79) = ( 0.5000000 0.1090389 -0.1090389), wk = 0.0027548 k( 80) = ( 0.5000000 0.1142312 -0.1142312), wk = 0.0027548 k( 81) = ( 0.5000000 0.1194235 -0.1194235), wk = 0.0027548 k( 82) = ( 0.5000000 0.1246158 -0.1246158), wk = 0.0027548 k( 83) = ( 0.5000000 0.1298082 -0.1298082), wk = 0.0027548 k( 84) = ( 0.5000000 0.1350005 -0.1350005), wk = 0.0027548 k( 85) = ( 0.5000000 0.1401928 -0.1401928), wk = 0.0027548 k( 86) = ( 0.5000000 0.1453852 -0.1453851), wk = 0.0027548 k( 87) = ( 0.5000000 0.1505775 -0.1505775), wk = 0.0027548 k( 88) = ( 0.5000000 0.1557698 -0.1557698), wk = 0.0027548 k( 89) = ( 0.5000000 0.1609621 -0.1609621), wk = 0.0027548 k( 90) = ( 0.5000000 0.1661545 -0.1661545), wk = 0.0027548 k( 91) = ( 0.5000000 0.1713468 -0.1713468), wk = 0.0027548 k( 92) = ( 0.5000000 0.1765391 -0.1765391), wk = 0.0027548 k( 93) = ( 0.5000000 0.1817314 -0.1817314), wk = 0.0027548 k( 94) = ( 0.8182686 0.5000000 0.1817314), wk = 0.0027548 k( 95) = ( 0.8131352 0.5000000 0.1868648), wk = 0.0027548 k( 96) = ( 0.8080018 0.5000000 0.1919982), wk = 0.0027548 k( 97) = ( 0.8028685 0.5000000 0.1971315), wk = 0.0027548 k( 98) = ( 0.7977351 0.5000000 0.2022649), wk = 0.0027548 k( 99) = ( 0.7926017 0.5000000 0.2073983), wk = 0.0027548 k( 100) = ( 0.7874684 0.5000000 0.2125316), wk = 0.0027548 k( 101) = ( 0.7823350 0.5000000 0.2176650), wk = 0.0027548 k( 102) = ( 0.7772016 0.5000000 0.2227984), wk = 0.0027548 k( 103) = ( 0.7720683 0.5000000 0.2279317), wk = 0.0027548 k( 104) = ( 0.7669349 0.5000000 0.2330651), wk = 0.0027548 k( 105) = ( 0.7618016 0.5000000 0.2381984), wk = 0.0027548 k( 106) = ( 0.7566682 0.5000000 0.2433318), wk = 0.0027548 k( 107) = ( 0.7515348 0.5000000 0.2484652), wk = 0.0027548 k( 108) = ( 0.7464015 0.5000000 0.2535985), wk = 0.0027548 k( 109) = ( 0.7412681 0.5000000 0.2587319), wk = 0.0027548 k( 110) = ( 0.7361347 0.5000000 0.2638653), wk = 0.0027548 k( 111) = ( 0.7310014 0.5000000 0.2689986), wk = 0.0027548 k( 112) = ( 0.7258680 0.5000000 0.2741320), wk = 0.0027548 k( 113) = ( 0.7207347 0.5000000 0.2792654), wk = 0.0027548 k( 114) = ( 0.7156013 0.5000000 0.2843987), wk = 0.0027548 k( 115) = ( 0.7104679 0.5000000 0.2895321), wk = 0.0027548 k( 116) = ( 0.7053346 0.5000000 0.2946654), wk = 0.0027548 k( 117) = ( 0.7002012 0.5000000 0.2997988), wk = 0.0027548 k( 118) = ( 0.6950678 0.5000000 0.3049322), wk = 0.0027548 k( 119) = ( 0.6899345 0.5000000 0.3100655), wk = 0.0027548 k( 120) = ( 0.6848011 0.5000000 0.3151989), wk = 0.0027548 k( 121) = ( 0.6796677 0.5000000 0.3203323), wk = 0.0027548 k( 122) = ( 0.6745344 0.5000000 0.3254656), wk = 0.0027548 k( 123) = ( 0.6694010 0.5000000 0.3305990), wk = 0.0027548 k( 124) = ( 0.6642676 0.5000000 0.3357324), wk = 0.0027548 k( 125) = ( 0.6591343 0.5000000 0.3408657), wk = 0.0027548 k( 126) = ( 0.6540009 0.5000000 0.3459991), wk = 0.0027548 k( 127) = ( 0.6488675 0.5000000 0.3511324), wk = 0.0027548 k( 128) = ( 0.6437342 0.5000000 0.3562658), wk = 0.0027548 k( 129) = ( 0.6386008 0.5000000 0.3613992), wk = 0.0027548 k( 130) = ( 0.6334675 0.5000000 0.3665325), wk = 0.0027548 k( 131) = ( 0.6283341 0.5000000 0.3716659), wk = 0.0027548 k( 132) = ( 0.6232007 0.5000000 0.3767993), wk = 0.0027548 k( 133) = ( 0.6180674 0.5000000 0.3819326), wk = 0.0027548 k( 134) = ( 0.6129340 0.5000000 0.3870660), wk = 0.0027548 k( 135) = ( 0.6078006 0.5000000 0.3921994), wk = 0.0027548 k( 136) = ( 0.6026673 0.5000000 0.3973327), wk = 0.0027548 k( 137) = ( 0.5975339 0.5000000 0.4024661), wk = 0.0027548 k( 138) = ( 0.5924006 0.5000000 0.4075995), wk = 0.0027548 k( 139) = ( 0.5872672 0.5000000 0.4127328), wk = 0.0027548 k( 140) = ( 0.5821338 0.5000000 0.4178662), wk = 0.0027548 k( 141) = ( 0.5770005 0.5000000 0.4229995), wk = 0.0027548 k( 142) = ( 0.5718671 0.5000000 0.4281329), wk = 0.0027548 k( 143) = ( 0.5667337 0.5000000 0.4332663), wk = 0.0027548 k( 144) = ( 0.5616004 0.5000000 0.4383996), wk = 0.0027548 k( 145) = ( 0.5564670 0.5000000 0.4435330), wk = 0.0027548 k( 146) = ( 0.5513336 0.5000000 0.4486664), wk = 0.0027548 k( 147) = ( 0.5462003 0.5000000 0.4537997), wk = 0.0027548 k( 148) = ( 0.5410669 0.5000000 0.4589331), wk = 0.0027548 k( 149) = ( 0.5359335 0.5000000 0.4640665), wk = 0.0027548 k( 150) = ( 0.5308002 0.5000000 0.4691998), wk = 0.0027548 k( 151) = ( 0.5256668 0.5000000 0.4743332), wk = 0.0027548 k( 152) = ( 0.5205335 0.5000000 0.4794665), wk = 0.0027548 k( 153) = ( 0.5154001 0.5000000 0.4845999), wk = 0.0027548 k( 154) = ( 0.5102667 0.5000000 0.4897333), wk = 0.0027548 k( 155) = ( 0.5051334 0.5000000 0.4948666), wk = 0.0027548 k( 156) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027548 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027548 k( 158) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0027548 k( 159) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0027548 k( 160) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0027548 k( 161) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0027548 k( 162) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0027548 k( 163) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0027548 k( 164) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0027548 k( 165) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0027548 k( 166) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0027548 k( 167) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0027548 k( 168) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0027548 k( 169) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0027548 k( 170) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0027548 k( 171) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0027548 k( 172) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0027548 k( 173) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0027548 k( 174) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0027548 k( 175) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0027548 k( 176) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0027548 k( 177) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0027548 k( 178) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0027548 k( 179) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0027548 k( 180) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0027548 k( 181) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0027548 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 184) = ( 0.0051646 -0.0000000 -0.0051646), wk = 0.0027548 k( 185) = ( 0.0103293 -0.0000000 -0.0103293), wk = 0.0027548 k( 186) = ( 0.0154939 -0.0000000 -0.0154939), wk = 0.0027548 k( 187) = ( 0.0206585 0.0000000 -0.0206585), wk = 0.0027548 k( 188) = ( 0.0258232 -0.0000000 -0.0258232), wk = 0.0027548 k( 189) = ( 0.0309878 -0.0000000 -0.0309878), wk = 0.0027548 k( 190) = ( 0.0361524 0.0000000 -0.0361524), wk = 0.0027548 k( 191) = ( 0.0413171 0.0000000 -0.0413171), wk = 0.0027548 k( 192) = ( 0.0464817 0.0000000 -0.0464817), wk = 0.0027548 k( 193) = ( 0.0516463 -0.0000000 -0.0516463), wk = 0.0027548 k( 194) = ( 0.0568109 0.0000000 -0.0568109), wk = 0.0027548 k( 195) = ( 0.0619756 0.0000000 -0.0619756), wk = 0.0027548 k( 196) = ( 0.0671402 -0.0000000 -0.0671402), wk = 0.0027548 k( 197) = ( 0.0723049 0.0000000 -0.0723049), wk = 0.0027548 k( 198) = ( 0.0774695 0.0000000 -0.0774695), wk = 0.0027548 k( 199) = ( 0.0826341 0.0000000 -0.0826341), wk = 0.0027548 k( 200) = ( 0.0877987 0.0000000 -0.0877988), wk = 0.0027548 k( 201) = ( 0.0929634 0.0000000 -0.0929634), wk = 0.0027548 k( 202) = ( 0.0981280 -0.0000000 -0.0981280), wk = 0.0027548 k( 203) = ( 0.1032926 -0.0000000 -0.1032926), wk = 0.0027548 k( 204) = ( 0.1084573 -0.0000000 -0.1084573), wk = 0.0027548 k( 205) = ( 0.1136219 0.0000000 -0.1136219), wk = 0.0027548 k( 206) = ( 0.1187865 -0.0000000 -0.1187865), wk = 0.0027548 k( 207) = ( 0.1239512 -0.0000000 -0.1239512), wk = 0.0027548 k( 208) = ( 0.1291158 0.0000000 -0.1291158), wk = 0.0027548 k( 209) = ( 0.1342804 0.0000000 -0.1342804), wk = 0.0027548 k( 210) = ( 0.1394451 -0.0000000 -0.1394451), wk = 0.0027548 k( 211) = ( 0.1446097 0.0000000 -0.1446097), wk = 0.0027548 k( 212) = ( 0.1497743 0.0000000 -0.1497743), wk = 0.0027548 k( 213) = ( 0.1549390 0.0000000 -0.1549390), wk = 0.0027548 k( 214) = ( 0.1601036 0.0000000 -0.1601036), wk = 0.0027548 k( 215) = ( 0.1652682 -0.0000000 -0.1652682), wk = 0.0027548 k( 216) = ( 0.1704329 0.0000000 -0.1704329), wk = 0.0027548 k( 217) = ( 0.1755975 0.0000000 -0.1755975), wk = 0.0027548 k( 218) = ( 0.1807621 0.0000000 -0.1807621), wk = 0.0027548 k( 219) = ( 0.1859268 0.0000000 -0.1859268), wk = 0.0027548 k( 220) = ( 0.1910914 0.0000000 -0.1910914), wk = 0.0027548 k( 221) = ( 0.1962560 -0.0000000 -0.1962560), wk = 0.0027548 k( 222) = ( 0.2014207 0.0000000 -0.2014207), wk = 0.0027548 k( 223) = ( 0.2065853 -0.0000000 -0.2065853), wk = 0.0027548 k( 224) = ( 0.2117499 -0.0000000 -0.2117499), wk = 0.0027548 k( 225) = ( 0.2169146 0.0000000 -0.2169145), wk = 0.0027548 k( 226) = ( 0.2220792 -0.0000000 -0.2220792), wk = 0.0027548 k( 227) = ( 0.2272438 0.0000000 -0.2272438), wk = 0.0027548 k( 228) = ( 0.2324084 -0.0000000 -0.2324084), wk = 0.0027548 k( 229) = ( 0.2375731 -0.0000000 -0.2375731), wk = 0.0027548 k( 230) = ( 0.2427377 0.0000000 -0.2427377), wk = 0.0027548 k( 231) = ( 0.2479023 -0.0000000 -0.2479023), wk = 0.0027548 k( 232) = ( 0.2530670 0.0000000 -0.2530670), wk = 0.0027548 k( 233) = ( 0.2582316 0.0000000 -0.2582316), wk = 0.0027548 k( 234) = ( 0.2633962 -0.0000000 -0.2633962), wk = 0.0027548 k( 235) = ( 0.2685609 0.0000000 -0.2685609), wk = 0.0027548 k( 236) = ( 0.2737255 0.0000000 -0.2737255), wk = 0.0027548 k( 237) = ( 0.2788901 -0.0000000 -0.2788901), wk = 0.0027548 k( 238) = ( 0.2840548 0.0000000 -0.2840548), wk = 0.0027548 k( 239) = ( 0.2892194 0.0000000 -0.2892194), wk = 0.0027548 k( 240) = ( 0.2943840 -0.0000000 -0.2943840), wk = 0.0027548 k( 241) = ( 0.2995487 0.0000000 -0.2995487), wk = 0.0027548 k( 242) = ( 0.3047133 0.0000000 -0.3047133), wk = 0.0027548 k( 243) = ( 0.3098779 0.0000000 -0.3098779), wk = 0.0027548 k( 244) = ( 0.3150426 0.0000000 -0.3150426), wk = 0.0027548 k( 245) = ( 0.3202072 -0.0000000 -0.3202072), wk = 0.0027548 k( 246) = ( 0.3253718 0.0000000 -0.3253718), wk = 0.0027548 k( 247) = ( 0.3305364 0.0000000 -0.3305364), wk = 0.0027548 k( 248) = ( 0.3357011 0.0000000 -0.3357011), wk = 0.0027548 k( 249) = ( 0.3408657 0.0000000 -0.3408657), wk = 0.0027548 k( 250) = ( 0.6591343 0.3408657 0.0000000), wk = 0.0027548 k( 251) = ( 0.6540009 0.3459991 0.0000000), wk = 0.0027548 k( 252) = ( 0.6488675 0.3511325 0.0000000), wk = 0.0027548 k( 253) = ( 0.6437342 0.3562658 0.0000000), wk = 0.0027548 k( 254) = ( 0.6386008 0.3613992 0.0000000), wk = 0.0027548 k( 255) = ( 0.6334675 0.3665325 0.0000000), wk = 0.0027548 k( 256) = ( 0.6283341 0.3716659 0.0000000), wk = 0.0027548 k( 257) = ( 0.6232007 0.3767993 0.0000000), wk = 0.0027548 k( 258) = ( 0.6180674 0.3819326 0.0000000), wk = 0.0027548 k( 259) = ( 0.6129340 0.3870660 0.0000000), wk = 0.0027548 k( 260) = ( 0.6078006 0.3921994 0.0000000), wk = 0.0027548 k( 261) = ( 0.6026673 0.3973327 0.0000000), wk = 0.0027548 k( 262) = ( 0.5975339 0.4024661 0.0000000), wk = 0.0027548 k( 263) = ( 0.5924006 0.4075995 0.0000000), wk = 0.0027548 k( 264) = ( 0.5872672 0.4127328 0.0000000), wk = 0.0027548 k( 265) = ( 0.5821338 0.4178662 0.0000000), wk = 0.0027548 k( 266) = ( 0.5770005 0.4229995 0.0000000), wk = 0.0027548 k( 267) = ( 0.5718671 0.4281329 0.0000000), wk = 0.0027548 k( 268) = ( 0.5667337 0.4332663 0.0000000), wk = 0.0027548 k( 269) = ( 0.5616004 0.4383996 0.0000000), wk = 0.0027548 k( 270) = ( 0.5564670 0.4435330 0.0000000), wk = 0.0027548 k( 271) = ( 0.5513336 0.4486664 0.0000000), wk = 0.0027548 k( 272) = ( 0.5462003 0.4537997 0.0000000), wk = 0.0027548 k( 273) = ( 0.5410669 0.4589331 0.0000000), wk = 0.0027548 k( 274) = ( 0.5359335 0.4640665 0.0000000), wk = 0.0027548 k( 275) = ( 0.5308002 0.4691998 0.0000000), wk = 0.0027548 k( 276) = ( 0.5256668 0.4743332 0.0000000), wk = 0.0027548 k( 277) = ( 0.5205335 0.4794665 0.0000000), wk = 0.0027548 k( 278) = ( 0.5154001 0.4845999 0.0000000), wk = 0.0027548 k( 279) = ( 0.5102667 0.4897333 0.0000000), wk = 0.0027548 k( 280) = ( 0.5051334 0.4948666 0.0000000), wk = 0.0027548 k( 281) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027548 k( 282) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027548 k( 283) = ( 0.5176816 0.5176816 0.0201924), wk = 0.0027548 k( 284) = ( 0.5353632 0.5353632 0.0403848), wk = 0.0027548 k( 285) = ( 0.5530448 0.5530448 0.0605772), wk = 0.0027548 k( 286) = ( 0.5707264 0.5707264 0.0807695), wk = 0.0027548 k( 287) = ( 0.5884079 0.5884079 0.1009619), wk = 0.0027548 k( 288) = ( 0.6060895 0.6060895 0.1211543), wk = 0.0027548 k( 289) = ( 0.6237711 0.6237711 0.1413467), wk = 0.0027548 k( 290) = ( 0.6414527 0.6414527 0.1615391), wk = 0.0027548 k( 291) = ( 0.6591343 0.6591343 0.1817314), wk = 0.0027548 k( 292) = ( 0.6591343 0.6591343 0.1817314), wk = 0.0027548 k( 293) = ( 0.6561318 0.6561318 0.1877365), wk = 0.0027548 k( 294) = ( 0.6531292 0.6531292 0.1937416), wk = 0.0027548 k( 295) = ( 0.6501267 0.6501267 0.1997466), wk = 0.0027548 k( 296) = ( 0.6471242 0.6471242 0.2057517), wk = 0.0027548 k( 297) = ( 0.6441216 0.6441216 0.2117568), wk = 0.0027548 k( 298) = ( 0.6411191 0.6411191 0.2177618), wk = 0.0027548 k( 299) = ( 0.6381166 0.6381166 0.2237669), wk = 0.0027548 k( 300) = ( 0.6351140 0.6351140 0.2297720), wk = 0.0027548 k( 301) = ( 0.6321115 0.6321115 0.2357770), wk = 0.0027548 k( 302) = ( 0.6291090 0.6291090 0.2417821), wk = 0.0027548 k( 303) = ( 0.6261064 0.6261064 0.2477872), wk = 0.0027548 k( 304) = ( 0.6231039 0.6231039 0.2537922), wk = 0.0027548 k( 305) = ( 0.6201013 0.6201013 0.2597973), wk = 0.0027548 k( 306) = ( 0.6170988 0.6170988 0.2658024), wk = 0.0027548 k( 307) = ( 0.6140963 0.6140963 0.2718075), wk = 0.0027548 k( 308) = ( 0.6110937 0.6110937 0.2778125), wk = 0.0027548 k( 309) = ( 0.6080912 0.6080912 0.2838176), wk = 0.0027548 k( 310) = ( 0.6050887 0.6050887 0.2898227), wk = 0.0027548 k( 311) = ( 0.6020861 0.6020861 0.2958277), wk = 0.0027548 k( 312) = ( 0.5990836 0.5990836 0.3018328), wk = 0.0027548 k( 313) = ( 0.5960811 0.5960811 0.3078379), wk = 0.0027548 k( 314) = ( 0.5930785 0.5930785 0.3138429), wk = 0.0027548 k( 315) = ( 0.5900760 0.5900760 0.3198480), wk = 0.0027548 k( 316) = ( 0.5870735 0.5870735 0.3258531), wk = 0.0027548 k( 317) = ( 0.5840709 0.5840709 0.3318581), wk = 0.0027548 k( 318) = ( 0.5810684 0.5810684 0.3378632), wk = 0.0027548 k( 319) = ( 0.5780659 0.5780659 0.3438683), wk = 0.0027548 k( 320) = ( 0.5750633 0.5750633 0.3498733), wk = 0.0027548 k( 321) = ( 0.5720608 0.5720608 0.3558784), wk = 0.0027548 k( 322) = ( 0.5690583 0.5690583 0.3618835), wk = 0.0027548 k( 323) = ( 0.5660557 0.5660557 0.3678885), wk = 0.0027548 k( 324) = ( 0.5630532 0.5630532 0.3738936), wk = 0.0027548 k( 325) = ( 0.5600507 0.5600507 0.3798987), wk = 0.0027548 k( 326) = ( 0.5570481 0.5570481 0.3859037), wk = 0.0027548 k( 327) = ( 0.5540456 0.5540456 0.3919088), wk = 0.0027548 k( 328) = ( 0.5510431 0.5510431 0.3979139), wk = 0.0027548 k( 329) = ( 0.5480405 0.5480405 0.4039189), wk = 0.0027548 k( 330) = ( 0.5450380 0.5450380 0.4099240), wk = 0.0027548 k( 331) = ( 0.5420355 0.5420355 0.4159291), wk = 0.0027548 k( 332) = ( 0.5390329 0.5390329 0.4219341), wk = 0.0027548 k( 333) = ( 0.5360304 0.5360304 0.4279392), wk = 0.0027548 k( 334) = ( 0.5330279 0.5330279 0.4339443), wk = 0.0027548 k( 335) = ( 0.5300253 0.5300253 0.4399493), wk = 0.0027548 k( 336) = ( 0.5270228 0.5270228 0.4459544), wk = 0.0027548 k( 337) = ( 0.5240203 0.5240203 0.4519595), wk = 0.0027548 k( 338) = ( 0.5210177 0.5210177 0.4579645), wk = 0.0027548 k( 339) = ( 0.5180152 0.5180152 0.4639696), wk = 0.0027548 k( 340) = ( 0.5150127 0.5150127 0.4699747), wk = 0.0027548 k( 341) = ( 0.5120101 0.5120101 0.4759797), wk = 0.0027548 k( 342) = ( 0.5090076 0.5090076 0.4819848), wk = 0.0027548 k( 343) = ( 0.5060051 0.5060051 0.4879899), wk = 0.0027548 k( 344) = ( 0.5030025 0.5030025 0.4939949), wk = 0.0027548 k( 345) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027548 k( 346) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027548 k( 347) = ( 0.5187217 0.0200509 0.0200509), wk = 0.0027548 k( 348) = ( 0.5374434 0.0401019 0.0401019), wk = 0.0027548 k( 349) = ( 0.5561650 0.0601528 0.0601528), wk = 0.0027548 k( 350) = ( 0.5748867 0.0802037 0.0802037), wk = 0.0027548 k( 351) = ( 0.5936084 0.1002546 0.1002546), wk = 0.0027548 k( 352) = ( 0.6123301 0.1203056 0.1203056), wk = 0.0027548 k( 353) = ( 0.6310518 0.1403565 0.1403565), wk = 0.0027548 k( 354) = ( 0.6497734 0.1604074 0.1604074), wk = 0.0027548 k( 355) = ( 0.6684951 0.1804583 0.1804583), wk = 0.0027548 k( 356) = ( 0.6872168 0.2005093 0.2005093), wk = 0.0027548 k( 357) = ( 0.7059385 0.2205602 0.2205602), wk = 0.0027548 k( 358) = ( 0.7246602 0.2406111 0.2406111), wk = 0.0027548 k( 359) = ( 0.7433818 0.2606620 0.2606620), wk = 0.0027548 k( 360) = ( 0.7621035 0.2807129 0.2807129), wk = 0.0027548 k( 361) = ( 0.7808252 0.3007639 0.3007639), wk = 0.0027548 k( 362) = ( 0.7995469 0.3208148 0.3208148), wk = 0.0027548 k( 363) = ( 0.8182686 0.3408657 0.3408657), wk = 0.0027548 Dense grid: 38955 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 17229 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 116, 44) NL pseudopotentials 0.08 Mb ( 58, 96) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1082) G-vector shells 0.01 Mb ( 924) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.31 Mb ( 116, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.13 Mb ( 96, 2, 44) The potential is recalculated from file : ./InAgO2.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 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 6.9 secs Computing kpt #: 8 total cpu time spent up to now is 7.4 secs Computing kpt #: 9 total cpu time spent up to now is 8.0 secs Computing kpt #: 10 total cpu time spent up to now is 8.5 secs Computing kpt #: 11 total cpu time spent up to now is 9.1 secs Computing kpt #: 12 total cpu time spent up to now is 9.6 secs Computing kpt #: 13 total cpu time spent up to now is 10.2 secs Computing kpt #: 14 total cpu time spent up to now is 10.7 secs Computing kpt #: 15 total cpu time spent up to now is 11.3 secs Computing kpt #: 16 total cpu time spent up to now is 11.8 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time spent up to now is 120.2 secs Computing kpt #: 264 total cpu time spent up to now is 120.6 secs Computing kpt #: 265 total cpu time spent up to now is 120.9 secs Computing kpt #: 266 total cpu time spent up to now is 121.4 secs Computing kpt #: 267 total cpu time spent up to now is 121.7 secs Computing kpt #: 268 total cpu time spent up to now is 122.2 secs Computing kpt #: 269 total cpu time spent up to now is 122.5 secs Computing kpt #: 270 total cpu time spent up to now is 122.9 secs Computing kpt #: 271 total cpu time spent up to now is 123.3 secs Computing kpt #: 272 total cpu time spent up to now is 123.8 secs Computing kpt #: 273 total cpu time spent up to now is 124.1 secs Computing kpt #: 274 total cpu time spent up to now is 124.5 secs Computing kpt #: 275 total cpu time spent up to now is 124.9 secs Computing kpt #: 276 total cpu time spent up to now is 125.3 secs Computing kpt #: 277 total cpu time spent up to now is 125.7 secs Computing kpt #: 278 total cpu time spent up to now is 126.1 secs Computing kpt #: 279 total cpu time spent up to now is 126.5 secs Computing kpt #: 280 total cpu time spent up to now is 126.9 secs Computing kpt #: 281 total cpu time spent up to now is 127.3 secs Computing kpt #: 282 total cpu time spent up to now is 127.6 secs Computing kpt #: 283 total cpu time spent up to now is 128.0 secs Computing kpt #: 284 total cpu time spent up to now is 128.4 secs Computing kpt #: 285 total cpu time spent up to now is 128.8 secs Computing kpt #: 286 total cpu time spent up to now is 129.2 secs Computing kpt #: 287 total cpu time spent up to now is 129.5 secs Computing kpt #: 288 total cpu time spent up to now is 129.9 secs Computing kpt #: 289 total cpu time spent up to now is 130.3 secs Computing kpt #: 290 total cpu time spent up to now is 130.7 secs Computing kpt #: 291 total cpu time spent up to now is 131.1 secs Computing kpt #: 292 total cpu time spent up to now is 131.5 secs Computing kpt #: 293 total cpu time spent up to now is 131.9 secs Computing kpt #: 294 total cpu time spent up to now is 132.3 secs Computing kpt #: 295 total cpu time spent up to now is 132.7 secs Computing kpt #: 296 total cpu time spent up to now is 133.1 secs Computing kpt #: 297 total cpu time spent up to now is 133.5 secs Computing kpt #: 298 total cpu time spent up to now is 133.9 secs Computing kpt #: 299 total cpu time spent up to now is 134.3 secs Computing kpt #: 300 total cpu time spent up to now is 134.7 secs Computing kpt #: 301 total cpu time spent up to now is 135.2 secs Computing kpt #: 302 total cpu time spent up to now is 135.6 secs Computing kpt #: 303 total cpu time spent up to now is 136.0 secs Computing kpt #: 304 total cpu time spent up to now is 136.5 secs Computing kpt #: 305 total cpu time spent up to now is 137.0 secs Computing kpt #: 306 total cpu time spent up to now is 137.4 secs Computing kpt #: 307 total cpu time spent up to now is 137.9 secs Computing kpt #: 308 total cpu time spent up to now is 138.4 secs Computing kpt #: 309 total cpu time spent up to now is 138.9 secs Computing kpt #: 310 total cpu time spent up to now is 139.3 secs Computing kpt #: 311 total cpu time spent up to now is 139.8 secs Computing kpt #: 312 total cpu time spent up to now is 140.2 secs Computing kpt #: 313 total cpu time spent up to now is 140.6 secs Computing kpt #: 314 total cpu time spent up to now is 141.0 secs Computing kpt #: 315 total cpu time spent up to now is 141.5 secs Computing kpt #: 316 total cpu time spent up to now is 141.9 secs Computing kpt #: 317 total cpu time spent up to now is 142.3 secs Computing kpt #: 318 total cpu time spent up to now is 142.7 secs Computing kpt #: 319 total cpu time spent up to now is 143.1 secs Computing kpt #: 320 total cpu time spent up to now is 143.5 secs Computing kpt #: 321 total cpu time spent up to now is 143.9 secs Computing kpt #: 322 total cpu time spent up to now is 144.3 secs Computing kpt #: 323 total cpu time spent up to now is 144.7 secs Computing kpt #: 324 total cpu time spent up to now is 145.1 secs Computing kpt #: 325 total cpu time spent up to now is 145.5 secs Computing kpt #: 326 total cpu time spent up to now is 145.9 secs Computing kpt #: 327 total cpu time spent up to now is 146.3 secs Computing kpt #: 328 total cpu time spent up to now is 146.7 secs Computing kpt #: 329 total cpu time spent up to now is 147.1 secs Computing kpt #: 330 total cpu time spent up to now is 147.5 secs Computing kpt #: 331 total cpu time spent up to now is 147.9 secs Computing kpt #: 332 total cpu time spent up to now is 148.3 secs Computing kpt #: 333 total cpu time spent up to now is 148.7 secs Computing kpt #: 334 total cpu time spent up to now is 149.1 secs Computing kpt #: 335 total cpu time spent up to now is 149.5 secs Computing kpt #: 336 total cpu time spent up to now is 149.9 secs Computing kpt #: 337 total cpu time spent up to now is 150.3 secs Computing kpt #: 338 total cpu time spent up to now is 150.6 secs Computing kpt #: 339 total cpu time spent up to now is 151.0 secs Computing kpt #: 340 total cpu time spent up to now is 151.4 secs Computing kpt #: 341 total cpu time spent up to now is 151.8 secs Computing kpt #: 342 total cpu time spent up to now is 152.1 secs Computing kpt #: 343 total cpu time spent up to now is 152.5 secs Computing kpt #: 344 total cpu time spent up to now is 152.9 secs Computing kpt #: 345 total cpu time spent up to now is 153.3 secs Computing kpt #: 346 total cpu time spent up to now is 153.8 secs Computing kpt #: 347 total cpu time spent up to now is 154.3 secs Computing kpt #: 348 total cpu time spent up to now is 154.8 secs Computing kpt #: 349 total cpu time spent up to now is 155.3 secs Computing kpt #: 350 total cpu time spent up to now is 155.8 secs Computing kpt #: 351 total cpu time spent up to now is 156.3 secs Computing kpt #: 352 total cpu time spent up to now is 156.8 secs Computing kpt #: 353 total cpu time spent up to now is 157.3 secs Computing kpt #: 354 total cpu time spent up to now is 157.7 secs Computing kpt #: 355 total cpu time spent up to now is 158.1 secs Computing kpt #: 356 total cpu time spent up to now is 158.6 secs Computing kpt #: 357 total cpu time spent up to now is 159.0 secs Computing kpt #: 358 total cpu time spent up to now is 159.4 secs Computing kpt #: 359 total cpu time spent up to now is 159.8 secs Computing kpt #: 360 total cpu time spent up to now is 160.2 secs Computing kpt #: 361 total cpu time spent up to now is 160.6 secs Computing kpt #: 362 total cpu time spent up to now is 161.0 secs Computing kpt #: 363 total cpu time spent up to now is 161.4 secs ethr = 2.78E-08, avg # of iterations = 19.5 total cpu time spent up to now is 161.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2155 PWs) bands (ev): -9.9255 -9.9255 -8.6017 -8.6017 -5.0306 -5.0306 -4.8886 -4.8886 -4.2919 -4.2919 -4.0083 -4.0083 -3.9652 -3.9652 2.5792 2.5792 5.2190 5.2190 5.5997 5.5997 5.7619 5.7619 6.0023 6.0023 6.1197 6.1197 6.1740 6.1740 6.6276 6.6276 6.6894 6.6894 8.0113 8.0113 8.0815 8.0815 9.1513 9.1513 13.3487 13.3487 14.0807 14.0807 19.3622 19.3622 k = 0.0089-0.0162-0.0098 ( 2161 PWs) bands (ev): -9.9249 -9.9249 -8.6022 -8.6022 -5.0302 -5.0302 -4.8884 -4.8884 -4.2915 -4.2915 -4.0083 -4.0083 -3.9652 -3.9652 2.5792 2.5792 5.2200 5.2200 5.5993 5.5993 5.7605 5.7605 6.0004 6.0004 6.1214 6.1214 6.1741 6.1741 6.6256 6.6256 6.6874 6.6874 8.0102 8.0102 8.0804 8.0804 9.1559 9.1559 13.3519 13.3519 14.0809 14.0809 19.3639 19.3639 k = 0.0179-0.0324-0.0195 ( 2163 PWs) bands (ev): -9.9231 -9.9231 -8.6038 -8.6038 -5.0289 -5.0289 -4.8876 -4.8876 -4.2902 -4.2902 -4.0081 -4.0081 -3.9649 -3.9649 2.5794 2.5794 5.2232 5.2232 5.5984 5.5984 5.7565 5.7565 5.9949 5.9949 6.1260 6.1260 6.1745 6.1745 6.6187 6.6187 6.6824 6.6824 8.0070 8.0070 8.0774 8.0774 9.1696 9.1696 13.3613 13.3613 14.0818 14.0818 19.3687 19.3687 k = 0.0268-0.0486-0.0293 ( 2162 PWs) bands (ev): -9.9201 -9.9201 -8.6065 -8.6065 -5.0268 -5.0268 -4.8862 -4.8862 -4.2880 -4.2880 -4.0079 -4.0079 -3.9643 -3.9643 2.5796 2.5796 5.2284 5.2284 5.5968 5.5968 5.7500 5.7500 5.9866 5.9866 6.1330 6.1330 6.1751 6.1751 6.6046 6.6046 6.6774 6.6774 8.0016 8.0016 8.0725 8.0725 9.1921 9.1921 13.3768 13.3768 14.0833 14.0833 19.3767 19.3767 k = 0.0357-0.0648-0.0390 ( 2160 PWs) bands (ev): -9.9160 -9.9160 -8.6101 -8.6101 -5.0238 -5.0238 -4.8842 -4.8842 -4.2849 -4.2849 -4.0076 -4.0076 -3.9634 -3.9634 2.5798 2.5798 5.2356 5.2356 5.5944 5.5944 5.7411 5.7411 5.9761 5.9761 6.1415 6.1415 6.1760 6.1760 6.5814 6.5814 6.6747 6.6747 7.9937 7.9937 8.0660 8.0660 9.2231 9.2231 13.3983 13.3983 14.0854 14.0854 19.3878 19.3878 k = 0.0446-0.0809-0.0488 ( 2160 PWs) bands (ev): -9.9107 -9.9107 -8.6148 -8.6148 -5.0202 -5.0202 -4.8817 -4.8817 -4.2811 -4.2811 -4.0072 -4.0072 -3.9622 -3.9622 2.5802 2.5802 5.2447 5.2447 5.5908 5.5908 5.7301 5.7301 5.9640 5.9640 6.1507 6.1507 6.1773 6.1773 6.5500 6.5500 6.6746 6.6746 7.9830 7.9830 8.0580 8.0580 9.2618 9.2618 13.4255 13.4255 14.0883 14.0883 19.4020 19.4020 k = 0.0536-0.0971-0.0586 ( 2152 PWs) bands (ev): -9.9042 -9.9042 -8.6205 -8.6205 -5.0158 -5.0158 -4.8785 -4.8785 -4.2764 -4.2764 -4.0067 -4.0067 -3.9606 -3.9606 2.5806 2.5806 5.2554 5.2554 5.5858 5.5858 5.7173 5.7173 5.9507 5.9507 6.1600 6.1600 6.1792 6.1792 6.5121 6.5121 6.6765 6.6765 7.9693 7.9693 8.0489 8.0489 9.3075 9.3075 13.4581 13.4581 14.0921 14.0921 19.4191 19.4191 k = 0.0625-0.1133-0.0683 ( 2151 PWs) bands (ev): -9.8967 -9.8967 -8.6271 -8.6271 -5.0109 -5.0109 -4.8747 -4.8747 -4.2709 -4.2709 -4.0062 -4.0062 -3.9585 -3.9585 2.5811 2.5811 5.2675 5.2675 5.5787 5.5787 5.7033 5.7033 5.9366 5.9366 6.1683 6.1683 6.1819 6.1819 6.4699 6.4699 6.6798 6.6798 7.9525 7.9525 8.0390 8.0390 9.3597 9.3597 13.4956 13.4956 14.0969 14.0969 19.4388 19.4388 k = 0.0714-0.1295-0.0781 ( 2149 PWs) bands (ev): -9.8880 -9.8880 -8.6347 -8.6347 -5.0055 -5.0055 -4.8702 -4.8702 -4.2648 -4.2648 -4.0057 -4.0057 -3.9560 -3.9560 2.5817 2.5817 5.2806 5.2806 5.5687 5.5687 5.6890 5.6890 5.9217 5.9217 6.1736 6.1736 6.1864 6.1864 6.4258 6.4258 6.6841 6.6841 7.9325 7.9325 8.0285 8.0285 9.4175 9.4175 13.5376 13.5376 14.1032 14.1032 19.4609 19.4609 k = 0.0804-0.1457-0.0878 ( 2152 PWs) bands (ev): -9.8782 -9.8782 -8.6431 -8.6431 -4.9998 -4.9998 -4.8650 -4.8650 -4.2580 -4.2580 -4.0052 -4.0052 -3.9530 -3.9530 2.5823 2.5823 5.2941 5.2941 5.5550 5.5550 5.6753 5.6753 5.9063 5.9063 6.1742 6.1742 6.1922 6.1922 6.3831 6.3831 6.6892 6.6892 7.9094 7.9094 8.0173 8.0173 9.4800 9.4800 13.5831 13.5831 14.1111 14.1111 19.4849 19.4849 k = 0.0893-0.1619-0.0976 ( 2153 PWs) bands (ev): -9.8673 -9.8673 -8.6524 -8.6524 -4.9939 -4.9939 -4.8590 -4.8590 -4.2507 -4.2507 -4.0047 -4.0047 -3.9493 -3.9493 2.5830 2.5830 5.3073 5.3073 5.5370 5.5370 5.6629 5.6629 5.8905 5.8905 6.1681 6.1681 6.1978 6.1978 6.3469 6.3469 6.6950 6.6950 7.8837 7.8837 8.0056 8.0056 9.5468 9.5468 13.6314 13.6314 14.1215 14.1215 19.5098 19.5098 k = 0.0982-0.1781-0.1074 ( 2155 PWs) bands (ev): -9.8554 -9.8554 -8.6625 -8.6625 -4.9878 -4.9878 -4.8522 -4.8522 -4.2428 -4.2428 -4.0042 -4.0042 -3.9448 -3.9448 2.5837 2.5837 5.3189 5.3189 5.5148 5.5148 5.6524 5.6524 5.8744 5.8744 6.1506 6.1506 6.2031 6.2031 6.3233 6.3233 6.7012 6.7012 7.8554 7.8554 7.9934 7.9934 9.6169 9.6169 13.6812 13.6812 14.1352 14.1352 19.5340 19.5340 k = 0.1071-0.1943-0.1171 ( 2155 PWs) bands (ev): -9.8425 -9.8425 -8.6733 -8.6733 -4.9817 -4.9817 -4.8445 -4.8445 -4.2346 -4.2346 -4.0035 -4.0035 -3.9395 -3.9395 2.5846 2.5846 5.3268 5.3268 5.4900 5.4900 5.6433 5.6433 5.8583 5.8583 6.1204 6.1204 6.2090 6.2090 6.3142 6.3142 6.7079 6.7079 7.8251 7.8251 7.9806 7.9806 9.6899 9.6899 13.7308 13.7308 14.1535 14.1535 19.5537 19.5537 k = 0.1161-0.2105-0.1269 ( 2151 PWs) bands (ev): -9.8286 -9.8286 -8.6847 -8.6847 -4.9757 -4.9757 -4.8360 -4.8360 -4.2261 -4.2261 -4.0028 -4.0028 -3.9333 -3.9333 2.5854 2.5854 5.3275 5.3275 5.4656 5.4656 5.6350 5.6350 5.8422 5.8422 6.0825 6.0825 6.2158 6.2158 6.3161 6.3161 6.7150 6.7150 7.7930 7.7930 7.9673 7.9673 9.7652 9.7652 13.7783 13.7783 14.1781 14.1781 19.5604 19.5604 k = 0.1250-0.2266-0.1366 ( 2153 PWs) bands (ev): -9.8137 -9.8137 -8.6968 -8.6968 -4.9699 -4.9699 -4.8267 -4.8267 -4.2175 -4.2175 -4.0019 -4.0019 -3.9261 -3.9261 2.5864 2.5864 5.3157 5.3157 5.4462 5.4462 5.6262 5.6262 5.8260 5.8260 6.0436 6.0436 6.2237 6.2237 6.3243 6.3243 6.7223 6.7223 7.7595 7.7595 7.9533 7.9533 9.8422 9.8422 13.8213 13.8213 14.2108 14.2108 19.5394 19.5394 k = 0.1339-0.2428-0.1464 ( 2153 PWs) bands (ev): -9.7980 -9.7980 -8.7095 -8.7095 -4.9643 -4.9643 -4.8166 -4.8166 -4.2089 -4.2089 -4.0009 -4.0009 -3.9179 -3.9179 2.5873 2.5873 5.2883 5.2883 5.4346 5.4346 5.6153 5.6153 5.8094 5.8094 6.0091 6.0091 6.2327 6.2327 6.3363 6.3363 6.7299 6.7299 7.7249 7.7249 7.9389 7.9389 9.9206 9.9206 13.8580 13.8580 14.2531 14.2531 19.4831 19.4831 k = 0.1429-0.2590-0.1562 ( 2152 PWs) bands (ev): -9.7814 -9.7814 -8.7227 -8.7227 -4.9590 -4.9590 -4.8056 -4.8056 -4.2004 -4.2004 -3.9996 -3.9996 -3.9085 -3.9085 2.5884 2.5884 5.2477 5.2477 5.4281 5.4281 5.6005 5.6005 5.7919 5.7919 5.9835 5.9835 6.2428 6.2428 6.3508 6.3508 6.7377 6.7377 7.6896 7.6896 7.9239 7.9239 9.9999 9.9999 13.8873 13.8873 14.3058 14.3058 19.4024 19.4024 k = 0.1518-0.2752-0.1659 ( 2155 PWs) bands (ev): -9.7640 -9.7640 -8.7363 -8.7363 -4.9541 -4.9541 -4.7940 -4.7940 -4.1922 -4.1922 -3.9980 -3.9980 -3.8978 -3.8978 2.5895 2.5895 5.1979 5.1979 5.4226 5.4226 5.5800 5.5800 5.7729 5.7729 5.9698 5.9698 6.2540 6.2540 6.3670 6.3670 6.7457 6.7457 7.6537 7.6537 7.9085 7.9085 10.0797 10.0797 13.9095 13.9095 14.3683 14.3683 19.3099 19.3099 k = 0.1607-0.2914-0.1757 ( 2155 PWs) bands (ev): -9.7458 -9.7458 -8.7503 -8.7503 -4.9495 -4.9495 -4.7817 -4.7817 -4.1844 -4.1844 -3.9961 -3.9961 -3.8859 -3.8859 2.5906 2.5906 5.1417 5.1417 5.4158 5.4158 5.5532 5.5532 5.7529 5.7529 5.9690 5.9690 6.2664 6.2664 6.3849 6.3849 6.7538 6.7538 7.6176 7.6176 7.8926 7.8926 10.1598 10.1598 13.9254 13.9254 14.4392 14.4392 19.2122 19.2122 k = 0.1696-0.3076-0.1854 ( 2151 PWs) bands (ev): -9.7269 -9.7269 -8.7645 -8.7645 -4.9452 -4.9452 -4.7689 -4.7689 -4.1772 -4.1772 -3.9938 -3.9938 -3.8725 -3.8725 2.5918 2.5918 5.0806 5.0806 5.4062 5.4062 5.5205 5.5205 5.7326 5.7326 5.9799 5.9799 6.2797 6.2797 6.4043 6.4043 6.7620 6.7620 7.5815 7.5815 7.8764 7.8764 10.2397 10.2397 13.9363 13.9363 14.5169 14.5169 19.1123 19.1123 k = 0.1786-0.3238-0.1952 ( 2151 PWs) bands (ev): -9.7074 -9.7074 -8.7791 -8.7791 -4.9413 -4.9413 -4.7557 -4.7557 -4.1706 -4.1706 -3.9911 -3.9911 -3.8577 -3.8577 2.5931 2.5931 5.0158 5.0158 5.3931 5.3931 5.4835 5.4835 5.7126 5.7126 6.0000 6.0000 6.2941 6.2941 6.4254 6.4254 6.7704 6.7704 7.5456 7.5456 7.8598 7.8598 10.3194 10.3194 13.9432 13.9432 14.6000 14.6000 19.0118 19.0118 k = 0.1875-0.3400-0.2050 ( 2147 PWs) bands (ev): -9.6873 -9.6873 -8.7938 -8.7938 -4.9377 -4.9377 -4.7420 -4.7420 -4.1648 -4.1648 -3.9880 -3.9880 -3.8414 -3.8414 2.5945 2.5945 4.9479 4.9479 5.3752 5.3752 5.4451 5.4451 5.6933 5.6933 6.0271 6.0271 6.3093 6.3093 6.4483 6.4483 6.7789 6.7789 7.5102 7.5102 7.8429 7.8429 10.3985 10.3985 13.9471 13.9471 14.6873 14.6873 18.9116 18.9116 k = 0.1964-0.3562-0.2147 ( 2148 PWs) bands (ev): -9.6667 -9.6667 -8.8087 -8.8087 -4.9345 -4.9345 -4.7281 -4.7281 -4.1597 -4.1597 -3.9844 -3.9844 -3.8238 -3.8238 2.5960 2.5960 4.8776 4.8776 5.3497 5.3497 5.4093 5.4093 5.6746 5.6746 6.0589 6.0589 6.3253 6.3253 6.4733 6.4733 6.7875 6.7875 7.4754 7.4754 7.8258 7.8258 10.4768 10.4768 13.9483 13.9483 14.7778 14.7778 18.8118 18.8118 k = 0.2054-0.3724-0.2245 ( 2150 PWs) bands (ev): -9.6456 -9.6456 -8.8236 -8.8236 -4.9315 -4.9315 -4.7141 -4.7141 -4.1554 -4.1554 -3.9805 -3.9805 -3.8048 -3.8048 2.5975 2.5975 4.8055 4.8055 5.3142 5.3142 5.3798 5.3798 5.6565 5.6565 6.0939 6.0939 6.3420 6.3420 6.5008 6.5008 6.7962 6.7962 7.4415 7.4415 7.8085 7.8085 10.5541 10.5541 13.9475 13.9475 14.8706 14.8706 18.7127 18.7127 k = 0.2143-0.3885-0.2342 ( 2149 PWs) bands (ev): -9.6241 -9.6241 -8.8384 -8.8384 -4.9289 -4.9289 -4.7000 -4.7000 -4.1517 -4.1517 -3.9761 -3.9761 -3.7845 -3.7845 2.5992 2.5992 4.7320 4.7320 5.2709 5.2709 5.3554 5.3554 5.6389 5.6389 6.1307 6.1307 6.3591 6.3591 6.5310 6.5310 6.8053 6.8053 7.4087 7.4087 7.7911 7.7911 10.6303 10.6303 13.9448 13.9448 14.9650 14.9650 18.6141 18.6141 k = 0.2232-0.4047-0.2440 ( 2153 PWs) bands (ev): -9.6024 -9.6024 -8.8532 -8.8532 -4.9265 -4.9265 -4.6859 -4.6859 -4.1488 -4.1488 -3.9714 -3.9714 -3.7630 -3.7630 2.6010 2.6010 4.6575 4.6575 5.2235 5.2235 5.3328 5.3328 5.6216 5.6216 6.1680 6.1680 6.3767 6.3767 6.5641 6.5641 6.8147 6.8147 7.3772 7.3772 7.7736 7.7736 10.7053 10.7053 13.9405 13.9405 15.0604 15.0604 18.5158 18.5158 k = 0.2321-0.4209-0.2538 ( 2156 PWs) bands (ev): -9.5804 -9.5804 -8.8679 -8.8679 -4.9245 -4.9245 -4.6719 -4.6719 -4.1464 -4.1464 -3.9664 -3.9664 -3.7404 -3.7404 2.6030 2.6030 4.5824 4.5824 5.1742 5.1742 5.3106 5.3106 5.6047 5.6047 6.2050 6.2050 6.3945 6.3945 6.6002 6.6002 6.8247 6.8247 7.3473 7.3473 7.7560 7.7560 10.7788 10.7788 13.9348 13.9348 15.1559 15.1559 18.4172 18.4172 k = 0.2411-0.4371-0.2635 ( 2152 PWs) bands (ev): -9.5583 -9.5583 -8.8823 -8.8823 -4.9226 -4.9226 -4.6579 -4.6579 -4.1445 -4.1445 -3.9610 -3.9610 -3.7166 -3.7166 2.6051 2.6051 4.5071 4.5071 5.1239 5.1239 5.2883 5.2883 5.5881 5.5881 6.2410 6.2410 6.4124 6.4124 6.6389 6.6389 6.8359 6.8359 7.3193 7.3193 7.7385 7.7385 10.8507 10.8507 13.9277 13.9277 15.2510 15.2510 18.3176 18.3176 k = 0.2500-0.4533-0.2733 ( 2147 PWs) bands (ev): -9.5362 -9.5362 -8.8963 -8.8963 -4.9210 -4.9210 -4.6442 -4.6442 -4.1430 -4.1430 -3.9554 -3.9554 -3.6920 -3.6920 2.6074 2.6074 4.4317 4.4317 5.0732 5.0732 5.2656 5.2656 5.5719 5.5719 6.2753 6.2753 6.4302 6.4302 6.6789 6.6789 6.8491 6.8491 7.2936 7.2936 7.7210 7.7210 10.9210 10.9210 13.9194 13.9194 15.3448 15.3448 18.2165 18.2165 k = 0.2589-0.4695-0.2830 ( 2142 PWs) bands (ev): -9.5142 -9.5142 -8.9100 -8.9100 -4.9196 -4.9196 -4.6308 -4.6308 -4.1419 -4.1419 -3.9496 -3.9496 -3.6666 -3.6666 2.6100 2.6100 4.3566 4.3566 5.0223 5.0223 5.2426 5.2426 5.5559 5.5559 6.3079 6.3079 6.4480 6.4480 6.7182 6.7182 6.8658 6.8658 7.2709 7.2709 7.7036 7.7036 10.9895 10.9895 13.9101 13.9101 15.4363 15.4363 18.1132 18.1132 k = 0.2679-0.4857-0.2928 ( 2142 PWs) bands (ev): -9.4923 -9.4923 -8.9233 -8.9233 -4.9185 -4.9185 -4.6177 -4.6177 -4.1410 -4.1410 -3.9436 -3.9436 -3.6406 -3.6406 2.6128 2.6128 4.2820 4.2820 4.9716 4.9716 5.2194 5.2194 5.5402 5.5402 6.3385 6.3385 6.4656 6.4656 6.7531 6.7531 6.8882 6.8882 7.2522 7.2522 7.6864 7.6864 11.0561 11.0561 13.8997 13.8997 15.5244 15.5244 18.0076 18.0076 k = 0.2768-0.5019-0.3026 ( 2146 PWs) bands (ev): -9.4708 -9.4708 -8.9359 -8.9359 -4.9177 -4.9177 -4.6051 -4.6051 -4.1403 -4.1403 -3.9376 -3.9376 -3.6142 -3.6142 2.6158 2.6158 4.2080 4.2080 4.9212 4.9212 5.1959 5.1959 5.5248 5.5248 6.3672 6.3672 6.4830 6.4830 6.7805 6.7805 6.9175 6.9175 7.2393 7.2393 7.6694 7.6694 11.1208 11.1208 13.8885 13.8885 15.6077 15.6077 17.9003 17.9003 k = 0.2857-0.5181-0.3123 ( 2144 PWs) bands (ev): -9.4497 -9.4497 -8.9480 -8.9480 -4.9170 -4.9170 -4.5929 -4.5929 -4.1398 -4.1398 -3.9313 -3.9313 -3.5874 -3.5874 2.6192 2.6192 4.1349 4.1349 4.8713 4.8713 5.1725 5.1725 5.5097 5.5097 6.3940 6.3940 6.5003 6.5003 6.7998 6.7998 6.9508 6.9508 7.2350 7.2350 7.6526 7.6526 11.1835 11.1835 13.8765 13.8765 15.6842 15.6842 17.7928 17.7928 k = 0.2946-0.5342-0.3221 ( 2150 PWs) bands (ev): -9.4291 -9.4291 -8.9592 -8.9592 -4.9166 -4.9166 -4.5812 -4.5812 -4.1393 -4.1393 -3.9252 -3.9252 -3.5604 -3.5604 2.6228 2.6228 4.0628 4.0628 4.8221 4.8221 5.1490 5.1490 5.4950 5.4950 6.4191 6.4191 6.5174 6.5174 6.8128 6.8128 6.9816 6.9816 7.2436 7.2436 7.6362 7.6362 11.2441 11.2441 13.8640 13.8640 15.7515 15.7515 17.6877 17.6877 k = 0.3036-0.5504-0.3318 ( 2153 PWs) bands (ev): -9.4093 -9.4093 -8.9696 -8.9696 -4.9163 -4.9163 -4.5701 -4.5701 -4.1388 -4.1388 -3.9189 -3.9189 -3.5333 -3.5333 2.6269 2.6269 3.9919 3.9919 4.7737 4.7737 5.1258 5.1258 5.4806 5.4806 6.4425 6.4425 6.5343 6.5343 6.8215 6.8215 7.0037 7.0037 7.2687 7.2687 7.6202 7.6202 11.3027 11.3027 13.8511 13.8511 15.8066 15.8066 17.5887 17.5887 k = 0.3125-0.5666-0.3416 ( 2153 PWs) bands (ev): -9.3904 -9.3904 -8.9791 -8.9791 -4.9162 -4.9162 -4.5595 -4.5595 -4.1382 -4.1382 -3.9126 -3.9126 -3.5062 -3.5062 2.6313 2.6313 3.9222 3.9222 4.7263 4.7263 5.1028 5.1028 5.4666 5.4666 6.4643 6.4643 6.5512 6.5512 6.8272 6.8272 7.0153 7.0153 7.3106 7.3106 7.6047 7.6047 11.3590 11.3590 13.8379 13.8379 15.8457 15.8457 17.5006 17.5006 k = 0.3214-0.5828-0.3514 ( 2154 PWs) bands (ev): -9.3725 -9.3725 -8.9874 -8.9874 -4.9162 -4.9162 -4.5495 -4.5495 -4.1376 -4.1376 -3.9064 -3.9064 -3.4793 -3.4793 2.6362 2.6362 3.8540 3.8540 4.6800 4.6800 5.0801 5.0801 5.4530 5.4530 6.4846 6.4846 6.5680 6.5680 6.8305 6.8305 7.0189 7.0189 7.3649 7.3649 7.5902 7.5902 11.4132 11.4132 13.8247 13.8247 15.8650 15.8650 17.4284 17.4284 k = 0.3304-0.5990-0.3611 ( 2158 PWs) bands (ev): -9.3559 -9.3559 -8.9946 -8.9946 -4.9164 -4.9164 -4.5401 -4.5401 -4.1369 -4.1369 -3.9003 -3.9003 -3.4527 -3.4527 2.6415 2.6415 3.7873 3.7873 4.6349 4.6349 5.0579 5.0579 5.4398 5.4398 6.5033 6.5033 6.5846 6.5846 6.8317 6.8317 7.0183 7.0183 7.4263 7.4263 7.5775 7.5775 11.4651 11.4651 13.8117 13.8117 15.8609 15.8609 17.3766 17.3766 k = 0.3393-0.6152-0.3709 ( 2162 PWs) bands (ev): -9.3406 -9.3406 -9.0004 -9.0004 -4.9167 -4.9167 -4.5313 -4.5313 -4.1361 -4.1361 -3.8942 -3.8942 -3.4266 -3.4266 2.6474 2.6474 3.7223 3.7223 4.5911 4.5911 5.0362 5.0362 5.4271 5.4271 6.5206 6.5206 6.6010 6.6010 6.8312 6.8312 7.0162 7.0162 7.4869 7.4869 7.5713 7.5713 11.5147 11.5147 13.7991 13.7991 15.8318 15.8318 17.3478 17.3478 k = 0.3482-0.6314-0.3806 ( 2164 PWs) bands (ev): -9.3269 -9.3269 -9.0048 -9.0048 -4.9171 -4.9171 -4.5232 -4.5232 -4.1351 -4.1351 -3.8882 -3.8882 -3.4010 -3.4010 2.6538 2.6538 3.6591 3.6591 4.5489 4.5489 5.0152 5.0152 5.4149 5.4149 6.5365 6.5365 6.6172 6.6172 6.8291 6.8291 7.0141 7.0141 7.5198 7.5198 7.5963 7.5963 11.5621 11.5621 13.7872 13.7872 15.7784 15.7784 17.3420 17.3420 k = 0.3571-0.6476-0.3904 ( 2167 PWs) bands (ev): -9.3148 -9.3148 -9.0077 -9.0077 -4.9176 -4.9176 -4.5158 -4.5158 -4.1340 -4.1340 -3.8824 -3.8824 -3.3761 -3.3761 2.6609 2.6609 3.5977 3.5977 4.5083 4.5083 4.9949 4.9949 5.4032 5.4032 6.5509 6.5509 6.6329 6.6329 6.8258 6.8258 7.0127 7.0127 7.5172 7.5172 7.6589 7.6589 11.6071 11.6071 13.7763 13.7763 15.7039 15.7039 17.3567 17.3567 k = 0.3661-0.6638-0.4002 ( 2168 PWs) bands (ev): -9.3044 -9.3044 -9.0091 -9.0091 -4.9182 -4.9182 -4.5089 -4.5089 -4.1328 -4.1328 -3.8768 -3.8768 -3.3519 -3.3519 2.6686 2.6686 3.5382 3.5382 4.4695 4.4695 4.9754 4.9754 5.3920 5.3920 6.5642 6.5642 6.6482 6.6482 6.8214 6.8214 7.0123 7.0123 7.5068 7.5068 7.7303 7.7303 11.6498 11.6498 13.7665 13.7665 15.6128 15.6128 17.3878 17.3878 k = 0.3750-0.6799-0.4099 ( 2168 PWs) bands (ev): -9.2958 -9.2958 -9.0090 -9.0090 -4.9188 -4.9188 -4.5027 -4.5027 -4.1314 -4.1314 -3.8714 -3.8714 -3.3287 -3.3287 2.6770 2.6770 3.4808 3.4808 4.4325 4.4325 4.9568 4.9568 5.3815 5.3815 6.5762 6.5762 6.6627 6.6627 6.8164 6.8164 7.0129 7.0129 7.4951 7.4951 7.8033 7.8033 11.6900 11.6900 13.7582 13.7582 15.5098 15.5098 17.4310 17.4310 k = 0.3839-0.6961-0.4197 ( 2164 PWs) bands (ev): -9.2889 -9.2889 -9.0075 -9.0075 -4.9195 -4.9195 -4.4970 -4.4970 -4.1300 -4.1300 -3.8662 -3.8662 -3.3064 -3.3064 2.6862 2.6862 3.4255 3.4255 4.3975 4.3975 4.9391 4.9391 5.3716 5.3716 6.5870 6.5870 6.6764 6.6764 6.8112 6.8112 7.0145 7.0145 7.4833 7.4833 7.8758 7.8758 11.7279 11.7279 13.7517 13.7517 15.3990 15.3990 17.4822 17.4822 k = 0.3929-0.7123-0.4294 ( 2157 PWs) bands (ev): -9.2836 -9.2836 -9.0048 -9.0048 -4.9202 -4.9202 -4.4920 -4.4920 -4.1284 -4.1284 -3.8612 -3.8612 -3.2852 -3.2852 2.6962 2.6962 3.3722 3.3722 4.3646 4.3646 4.9225 4.9225 5.3623 5.3623 6.5967 6.5967 6.6891 6.6891 6.8062 6.8062 7.0169 7.0169 7.4718 7.4718 7.9470 7.9470 11.7633 11.7633 13.7474 13.7474 15.2840 15.2840 17.5381 17.5381 k = 0.4018-0.7285-0.4392 ( 2151 PWs) bands (ev): -9.2797 -9.2797 -9.0011 -9.0011 -4.9209 -4.9209 -4.4874 -4.4874 -4.1268 -4.1268 -3.8565 -3.8565 -3.2653 -3.2653 2.7071 2.7071 3.3212 3.3212 4.3339 4.3339 4.9069 4.9069 5.3537 5.3537 6.6054 6.6054 6.7006 6.7006 6.8016 6.8016 7.0199 7.0199 7.4608 7.4608 8.0159 8.0159 11.7962 11.7962 13.7454 13.7454 15.1675 15.1675 17.5959 17.5959 k = 0.4107-0.7447-0.4490 ( 2150 PWs) bands (ev): -9.2770 -9.2770 -8.9967 -8.9967 -4.9216 -4.9216 -4.4835 -4.4835 -4.1253 -4.1253 -3.8521 -3.8521 -3.2468 -3.2468 2.7189 2.7189 3.2724 3.2724 4.3055 4.3055 4.8925 4.8925 5.3457 5.3457 6.6129 6.6129 6.7105 6.7105 6.7978 6.7978 7.0234 7.0234 7.4503 7.4503 8.0817 8.0817 11.8266 11.8266 13.7462 13.7462 15.0516 15.0516 17.6532 17.6532 k = 0.4196-0.7609-0.4587 ( 2155 PWs) bands (ev): -9.2753 -9.2753 -8.9919 -8.9919 -4.9223 -4.9223 -4.4801 -4.4801 -4.1237 -4.1237 -3.8482 -3.8482 -3.2298 -3.2298 2.7317 2.7317 3.2258 3.2258 4.2795 4.2795 4.8793 4.8793 5.3384 5.3384 6.6195 6.6195 6.7188 6.7188 6.7951 6.7951 7.0271 7.0271 7.4405 7.4405 8.1438 8.1438 11.8544 11.8544 13.7499 13.7499 14.9381 14.9381 17.7081 17.7081 k = 0.4286-0.7771-0.4685 ( 2160 PWs) bands (ev): -9.2743 -9.2743 -8.9868 -8.9868 -4.9230 -4.9230 -4.4772 -4.4772 -4.1223 -4.1223 -3.8447 -3.8447 -3.2143 -3.2143 2.7456 2.7456 3.1815 3.1815 4.2559 4.2559 4.8673 4.8673 5.3318 5.3318 6.6250 6.6250 6.7254 6.7254 6.7936 6.7936 7.0309 7.0309 7.4315 7.4315 8.2017 8.2017 11.8795 11.8795 13.7569 13.7569 14.8285 14.8285 17.7589 17.7589 k = 0.4375-0.7933-0.4782 ( 2162 PWs) bands (ev): -9.2740 -9.2740 -8.9818 -8.9818 -4.9236 -4.9236 -4.4747 -4.4747 -4.1209 -4.1209 -3.8414 -3.8414 -3.2005 -3.2005 2.7606 2.7606 3.1394 3.1394 4.2350 4.2350 4.8566 4.8566 5.3259 5.3259 6.6296 6.6296 6.7302 6.7302 6.7934 6.7934 7.0348 7.0348 7.4233 7.4233 8.2545 8.2545 11.9018 11.9018 13.7673 13.7673 14.7241 14.7241 17.8041 17.8041 k = 0.4464-0.8095-0.4880 ( 2158 PWs) bands (ev): -9.2740 -9.2740 -8.9770 -8.9770 -4.9242 -4.9242 -4.4725 -4.4725 -4.1196 -4.1196 -3.8385 -3.8385 -3.1883 -3.1883 2.7769 2.7769 3.0996 3.0996 4.2166 4.2166 4.8472 4.8472 5.3209 5.3209 6.6334 6.6334 6.7335 6.7335 6.7943 6.7943 7.0385 7.0385 7.4159 7.4159 8.3018 8.3018 11.9214 11.9214 13.7811 13.7811 14.6261 14.6261 17.8427 17.8427 k = 0.4554-0.8257-0.4978 ( 2154 PWs) bands (ev): -9.2742 -9.2742 -8.9726 -8.9726 -4.9247 -4.9247 -4.4706 -4.4706 -4.1184 -4.1184 -3.8360 -3.8360 -3.1778 -3.1778 2.7945 2.7945 3.0620 3.0620 4.2010 4.2010 4.8393 4.8393 5.3165 5.3165 6.6364 6.6364 6.7356 6.7356 6.7959 6.7959 7.0419 7.0419 7.4096 7.4096 8.3430 8.3430 11.9382 11.9382 13.7982 13.7982 14.5360 14.5360 17.8743 17.8743 k = 0.4643-0.8418-0.5075 ( 2158 PWs) bands (ev): -9.2746 -9.2746 -8.9689 -8.9689 -4.9251 -4.9251 -4.4693 -4.4693 -4.1175 -4.1175 -3.8340 -3.8340 -3.1692 -3.1692 2.8135 2.8135 3.0266 3.0266 4.1881 4.1881 4.8327 4.8327 5.3130 5.3130 6.6387 6.6387 6.7368 6.7368 6.7978 6.7978 7.0448 7.0448 7.4043 7.4043 8.3774 8.3774 11.9520 11.9520 13.8177 13.8177 14.4552 14.4552 17.8989 17.8989 k = 0.4732-0.8580-0.5173 ( 2162 PWs) bands (ev): -9.2749 -9.2749 -8.9659 -8.9659 -4.9255 -4.9255 -4.4682 -4.4682 -4.1168 -4.1168 -3.8325 -3.8325 -3.1625 -3.1625 2.8339 2.8339 2.9933 2.9933 4.1780 4.1780 4.8276 4.8276 5.3102 5.3102 6.6403 6.6403 6.7375 6.7375 6.7996 6.7996 7.0472 7.0472 7.4001 7.4001 8.4047 8.4047 11.9628 11.9628 13.8386 13.8386 14.3859 14.3859 17.9171 17.9171 k = 0.4821-0.8742-0.5270 ( 2166 PWs) bands (ev): -9.2752 -9.2752 -8.9636 -8.9636 -4.9258 -4.9258 -4.4675 -4.4675 -4.1163 -4.1163 -3.8313 -3.8313 -3.1576 -3.1576 2.8559 2.8559 2.9621 2.9621 4.1707 4.1707 4.8239 4.8239 5.3082 5.3082 6.6414 6.6414 6.7379 6.7379 6.8011 6.8011 7.0489 7.0489 7.3970 7.3970 8.4245 8.4245 11.9705 11.9705 13.8583 13.8583 14.3312 14.3312 17.9294 17.9294 k = 0.4911-0.8904-0.5368 ( 2166 PWs) bands (ev): -9.2755 -9.2755 -8.9623 -8.9623 -4.9259 -4.9259 -4.4671 -4.4671 -4.1159 -4.1159 -3.8306 -3.8306 -3.1547 -3.1547 2.8794 2.8794 2.9331 2.9331 4.1664 4.1664 4.8217 4.8217 5.3070 5.3070 6.6420 6.6420 6.7380 6.7380 6.8021 6.8021 7.0501 7.0501 7.3951 7.3951 8.4365 8.4365 11.9752 11.9752 13.8730 13.8730 14.2952 14.2952 17.9365 17.9365 k = 0.5000-0.9066-0.5466 ( 2170 PWs) bands (ev): -9.2755 -9.2755 -8.9618 -8.9618 -4.9260 -4.9260 -4.4669 -4.4669 -4.1158 -4.1158 -3.8305 -3.8305 -3.1538 -3.1538 2.9006 2.9006 2.9101 2.9101 4.1649 4.1649 4.8209 4.8209 5.3065 5.3065 6.6422 6.6422 6.7381 6.7381 6.8024 6.8024 7.0504 7.0504 7.3945 7.3945 8.4405 8.4405 11.9768 11.9768 13.8786 13.8786 14.2825 14.2825 17.9388 17.9388 k = 0.5000-0.9066-0.5466 ( 2170 PWs) bands (ev): -9.2755 -9.2755 -8.9618 -8.9618 -4.9260 -4.9260 -4.4669 -4.4669 -4.1158 -4.1158 -3.8305 -3.8305 -3.1538 -3.1538 2.9006 2.9006 2.9101 2.9101 4.1649 4.1649 4.8209 4.8209 5.3065 5.3065 6.6422 6.6422 6.7381 6.7381 6.8024 6.8024 7.0504 7.0504 7.3945 7.3945 8.4405 8.4405 11.9768 11.9768 13.8786 13.8786 14.2825 14.2825 17.9388 17.9388 k = 0.5000-0.8958-0.5644 ( 2166 PWs) bands (ev): -9.2752 -9.2752 -8.9621 -8.9621 -4.9255 -4.9255 -4.4670 -4.4670 -4.1153 -4.1153 -3.8305 -3.8305 -3.1542 -3.1542 2.9006 2.9006 2.9108 2.9108 4.1655 4.1655 4.8195 4.8195 5.3074 5.3074 6.6421 6.6421 6.7340 6.7340 6.8048 6.8048 7.0510 7.0510 7.3914 7.3914 8.4411 8.4411 11.9798 11.9798 13.8812 13.8812 14.2843 14.2843 17.9400 17.9400 k = 0.5000-0.8851-0.5822 ( 2162 PWs) bands (ev): -9.2742 -9.2742 -8.9631 -8.9631 -4.9241 -4.9241 -4.4674 -4.4674 -4.1136 -4.1136 -3.8306 -3.8306 -3.1554 -3.1554 2.9007 2.9007 2.9129 2.9129 4.1670 4.1670 4.8151 4.8151 5.3097 5.3097 6.6416 6.6416 6.7234 6.7234 6.8105 6.8105 7.0527 7.0527 7.3821 7.3821 8.4429 8.4429 11.9888 11.9888 13.8890 13.8890 14.2894 14.2894 17.9437 17.9437 k = 0.5000-0.8743-0.6001 ( 2158 PWs) bands (ev): -9.2724 -9.2724 -8.9647 -8.9647 -4.9217 -4.9217 -4.4679 -4.4679 -4.1109 -4.1109 -3.8309 -3.8309 -3.1575 -3.1575 2.9009 2.9009 2.9164 2.9164 4.1696 4.1696 4.8079 4.8079 5.3136 5.3136 6.6407 6.6407 6.7091 6.7091 6.8169 6.8169 7.0556 7.0556 7.3667 7.3667 8.4458 8.4458 12.0037 12.0037 13.9018 13.9018 14.2979 14.2979 17.9497 17.9497 k = 0.5000-0.8636-0.6179 ( 2156 PWs) bands (ev): -9.2701 -9.2701 -8.9670 -8.9670 -4.9184 -4.9184 -4.4688 -4.4688 -4.1071 -4.1071 -3.8313 -3.8313 -3.1605 -3.1605 2.9012 2.9012 2.9212 2.9212 4.1732 4.1732 4.7979 4.7979 5.3190 5.3190 6.6388 6.6388 6.6930 6.6930 6.8222 6.8222 7.0598 7.0598 7.3456 7.3456 8.4498 8.4498 12.0246 12.0246 13.9197 13.9197 14.3096 14.3096 17.9581 17.9581 k = 0.5000-0.8528-0.6357 ( 2152 PWs) bands (ev): -9.2670 -9.2670 -8.9698 -8.9698 -4.9143 -4.9143 -4.4699 -4.4699 -4.1022 -4.1022 -3.8317 -3.8317 -3.1644 -3.1644 2.9015 2.9015 2.9275 2.9275 4.1778 4.1778 4.7852 4.7852 5.3260 5.3260 6.6348 6.6348 6.6770 6.6770 6.8257 6.8257 7.0653 7.0653 7.3189 7.3189 8.4547 8.4547 12.0512 12.0512 13.9424 13.9424 14.3246 14.3246 17.9687 17.9687 k = 0.5000-0.8421-0.6536 ( 2152 PWs) bands (ev): -9.2633 -9.2633 -8.9733 -8.9733 -4.9093 -4.9093 -4.4712 -4.4712 -4.0964 -4.0964 -3.8323 -3.8323 -3.1691 -3.1691 2.9019 2.9019 2.9350 2.9350 4.1834 4.1834 4.7699 4.7699 5.3345 5.3345 6.6266 6.6266 6.6635 6.6635 6.8273 6.8273 7.0721 7.0721 7.2872 7.2872 8.4603 8.4603 12.0836 12.0836 13.9697 13.9697 14.3425 14.3425 17.9813 17.9813 k = 0.5000-0.8313-0.6714 ( 2156 PWs) bands (ev): -9.2590 -9.2590 -8.9773 -8.9773 -4.9035 -4.9035 -4.4729 -4.4729 -4.0896 -4.0896 -3.8329 -3.8329 -3.1747 -3.1747 2.9023 2.9023 2.9438 2.9438 4.1900 4.1900 4.7522 4.7522 5.3445 5.3445 6.6123 6.6123 6.6543 6.6543 6.8269 6.8269 7.0800 7.0800 7.2510 7.2510 8.4667 8.4667 12.1214 12.1214 14.0014 14.0014 14.3631 14.3631 17.9956 17.9956 k = 0.5000-0.8206-0.6892 ( 2154 PWs) bands (ev): -9.2541 -9.2541 -8.9819 -8.9819 -4.8969 -4.8969 -4.4748 -4.4748 -4.0818 -4.0818 -3.8334 -3.8334 -3.1811 -3.1811 2.9027 2.9027 2.9539 2.9539 4.1976 4.1976 4.7323 4.7323 5.3559 5.3559 6.5934 6.5934 6.6481 6.6481 6.8250 6.8250 7.0886 7.0886 7.2110 7.2110 8.4737 8.4737 12.1648 12.1648 14.0371 14.0371 14.3865 14.3865 18.0110 18.0110 k = 0.5000-0.8098-0.7071 ( 2162 PWs) bands (ev): -9.2485 -9.2485 -8.9871 -8.9871 -4.8896 -4.8896 -4.4771 -4.4771 -4.0732 -4.0732 -3.8341 -3.8341 -3.1883 -3.1883 2.9031 2.9031 2.9651 2.9651 4.2062 4.2062 4.7104 4.7104 5.3688 5.3688 6.5718 6.5718 6.6425 6.6425 6.8218 6.8218 7.0965 7.0965 7.1687 7.1687 8.4810 8.4810 12.2133 12.2133 14.0767 14.0767 14.4121 14.4121 18.0265 18.0265 k = 0.5000-0.7991-0.7249 ( 2154 PWs) bands (ev): -9.2425 -9.2425 -8.9927 -8.9927 -4.8815 -4.8815 -4.4795 -4.4795 -4.0636 -4.0636 -3.8344 -3.8344 -3.1963 -3.1963 2.9034 2.9034 2.9776 2.9776 4.2157 4.2157 4.6869 4.6869 5.3830 5.3830 6.5487 6.5487 6.6362 6.6362 6.8181 6.8181 7.0956 7.0956 7.1329 7.1329 8.4889 8.4889 12.2670 12.2670 14.1198 14.1198 14.4399 14.4399 18.0397 18.0397 k = 0.5000-0.7883-0.7427 ( 2154 PWs) bands (ev): -9.2358 -9.2358 -8.9988 -8.9988 -4.8728 -4.8728 -4.4823 -4.4823 -4.0533 -4.0533 -3.8347 -3.8347 -3.2051 -3.2051 2.9036 2.9036 2.9911 2.9911 4.2262 4.2262 4.6619 4.6619 5.3983 5.3983 6.5246 6.5246 6.6284 6.6284 6.8139 6.8139 7.0606 7.0606 7.1293 7.1293 8.4971 8.4971 12.3256 12.3256 14.1661 14.1661 14.4694 14.4694 18.0452 18.0452 k = 0.5000-0.7776-0.7606 ( 2150 PWs) bands (ev): -9.2287 -9.2287 -9.0053 -9.0053 -4.8635 -4.8635 -4.4854 -4.4854 -4.0424 -4.0424 -3.8346 -3.8346 -3.2147 -3.2147 2.9037 2.9037 3.0057 3.0057 4.2376 4.2376 4.6358 4.6358 5.4146 5.4146 6.4996 6.4996 6.6187 6.6187 6.8092 6.8092 7.0123 7.0123 7.1380 7.1380 8.5056 8.5056 12.3889 12.3889 14.2151 14.2151 14.5005 14.5005 18.0331 18.0331 k = 0.5000-0.7668-0.7784 ( 2156 PWs) bands (ev): -9.2211 -9.2211 -9.0122 -9.0122 -4.8538 -4.8538 -4.4889 -4.4889 -4.0310 -4.0310 -3.8343 -3.8343 -3.2251 -3.2251 2.9036 2.9036 3.0213 3.0213 4.2498 4.2498 4.6088 4.6088 5.4318 5.4318 6.4738 6.4738 6.6068 6.6068 6.8031 6.8031 6.9630 6.9630 7.1484 7.1484 8.5143 8.5143 12.4568 12.4568 14.2666 14.2666 14.5327 14.5327 17.9932 17.9932 k = 0.5000-0.7561-0.7962 ( 2154 PWs) bands (ev): -9.2131 -9.2131 -9.0194 -9.0194 -4.8435 -4.8435 -4.4926 -4.4926 -4.0191 -4.0191 -3.8334 -3.8334 -3.2361 -3.2361 2.9033 2.9033 3.0379 3.0379 4.2630 4.2630 4.5814 4.5814 5.4496 5.4496 6.4472 6.4472 6.5927 6.5927 6.7925 6.7925 6.9179 6.9179 7.1593 7.1593 8.5233 8.5233 12.5291 12.5291 14.3202 14.3202 14.5658 14.5658 17.9241 17.9241 k = 0.5000-0.7453-0.8141 ( 2154 PWs) bands (ev): -9.2047 -9.2047 -9.0270 -9.0270 -4.8329 -4.8329 -4.4966 -4.4966 -4.0071 -4.0071 -3.8319 -3.8319 -3.2479 -3.2479 2.9027 2.9027 3.0552 3.0552 4.2770 4.2770 4.5539 4.5539 5.4680 5.4680 6.4198 6.4198 6.5763 6.5763 6.7708 6.7708 6.8845 6.8845 7.1700 7.1700 8.5326 8.5326 12.6055 12.6055 14.3756 14.3756 14.5995 14.5995 17.8292 17.8292 k = 0.5000-0.7346-0.8319 ( 2158 PWs) bands (ev): -9.1959 -9.1959 -9.0348 -9.0348 -4.8220 -4.8220 -4.5009 -4.5009 -3.9953 -3.9953 -3.8296 -3.8296 -3.2604 -3.2604 2.9018 2.9018 3.0734 3.0734 4.2917 4.2917 4.5265 4.5265 5.4865 5.4865 6.3915 6.3915 6.5577 6.5577 6.7340 6.7340 6.8678 6.8678 7.1806 7.1806 8.5420 8.5420 12.6860 12.6860 14.4322 14.4322 14.6333 14.6333 17.7120 17.7120 k = 0.5000-0.7238-0.8497 ( 2156 PWs) bands (ev): -9.1869 -9.1869 -9.0428 -9.0428 -4.8107 -4.8107 -4.5054 -4.5054 -3.9837 -3.9837 -3.8262 -3.8262 -3.2734 -3.2734 2.9006 2.9006 3.0923 3.0923 4.3072 4.3072 4.4998 4.4998 5.5049 5.5049 6.3622 6.3622 6.5369 6.5369 6.6875 6.6875 6.8633 6.8633 7.1908 7.1908 8.5518 8.5518 12.7704 12.7704 14.4896 14.4896 14.6671 14.6671 17.5761 17.5761 k = 0.5000-0.7131-0.8676 ( 2154 PWs) bands (ev): -9.1775 -9.1775 -9.0510 -9.0510 -4.7994 -4.7994 -4.5102 -4.5102 -3.9727 -3.9727 -3.8214 -3.8214 -3.2871 -3.2871 2.8989 2.8989 3.1118 3.1118 4.3233 4.3233 4.4740 4.4740 5.5229 5.5229 6.3316 6.3316 6.5135 6.5135 6.6385 6.6385 6.8652 6.8652 7.2006 7.2006 8.5619 8.5619 12.8585 12.8585 14.5475 14.5475 14.7004 14.7004 17.4259 17.4259 k = 0.5000-0.7023-0.8854 ( 2158 PWs) bands (ev): -9.1680 -9.1680 -9.0594 -9.0594 -4.7880 -4.7880 -4.5153 -4.5153 -3.9628 -3.9628 -3.8152 -3.8152 -3.3014 -3.3014 2.8968 2.8968 3.1318 3.1318 4.3397 4.3397 4.4498 4.4498 5.5401 5.5401 6.2994 6.2994 6.4867 6.4867 6.5914 6.5914 6.8707 6.8707 7.2100 7.2100 8.5722 8.5722 12.9502 12.9502 14.6051 14.6051 14.7329 14.7329 17.2654 17.2654 k = 0.5000-0.6916-0.9032 ( 2160 PWs) bands (ev): -9.1583 -9.1583 -9.0678 -9.0678 -4.7765 -4.7765 -4.5206 -4.5206 -3.9540 -3.9540 -3.8073 -3.8073 -3.3162 -3.3162 2.8942 2.8942 3.1524 3.1524 4.3556 4.3556 4.4282 4.4282 5.5560 5.5560 6.2654 6.2654 6.4555 6.4555 6.5499 6.5499 6.8785 6.8785 7.2190 7.2190 8.5828 8.5828 13.0452 13.0452 14.6618 14.6618 14.7643 14.7643 17.0985 17.0985 k = 0.5000-0.6808-0.9211 ( 2160 PWs) bands (ev): -9.1486 -9.1486 -9.0763 -9.0763 -4.7652 -4.7652 -4.5261 -4.5261 -3.9465 -3.9465 -3.7976 -3.7976 -3.3314 -3.3314 2.8911 2.8911 3.1733 3.1733 4.3679 4.3679 4.4127 4.4127 5.5702 5.5702 6.2292 6.2292 6.4200 6.4200 6.5155 6.5155 6.8879 6.8879 7.2275 7.2275 8.5937 8.5937 13.1435 13.1435 14.7167 14.7167 14.7945 14.7945 16.9287 16.9287 k = 0.5000-0.6701-0.9389 ( 2160 PWs) bands (ev): -9.1387 -9.1387 -9.0848 -9.0848 -4.7540 -4.7540 -4.5317 -4.5317 -3.9404 -3.9404 -3.7863 -3.7863 -3.3469 -3.3469 2.8875 2.8875 3.1946 3.1946 4.3671 4.3671 4.4128 4.4128 5.5820 5.5820 6.1909 6.1909 6.3820 6.3820 6.4875 6.4875 6.8987 6.8987 7.2355 7.2355 8.6049 8.6049 13.2450 13.2450 14.7685 14.7685 14.8230 14.8230 16.7592 16.7592 k = 0.5000-0.6593-0.9567 ( 2160 PWs) bands (ev): -9.1289 -9.1289 -9.0933 -9.0933 -4.7431 -4.7431 -4.5375 -4.5375 -3.9356 -3.9356 -3.7735 -3.7735 -3.3628 -3.3628 2.8834 2.8834 3.2162 3.2162 4.3549 4.3549 4.4271 4.4271 5.5909 5.5909 6.1505 6.1505 6.3442 6.3442 6.4643 6.4643 6.9105 6.9105 7.2432 7.2432 8.6164 8.6164 13.3494 13.3494 14.8155 14.8155 14.8498 14.8498 16.5932 16.5932 k = 0.5000-0.6486-0.9746 ( 2158 PWs) bands (ev): -9.1192 -9.1192 -9.1017 -9.1017 -4.7325 -4.7325 -4.5432 -4.5432 -3.9318 -3.9318 -3.7595 -3.7595 -3.3789 -3.3789 2.8788 2.8788 3.2380 3.2380 4.3410 4.3410 4.4460 4.4460 5.5960 5.5960 6.1088 6.1088 6.3083 6.3083 6.4447 6.4447 6.9233 6.9233 7.2504 7.2504 8.6283 8.6283 13.4567 13.4567 14.8551 14.8551 14.8747 14.8747 16.4343 16.4343 k = 0.5000-0.6378-0.9924 ( 2156 PWs) bands (ev): -9.1106 -9.1106 -9.1089 -9.1089 -4.7224 -4.7224 -4.5489 -4.5489 -3.9290 -3.9290 -3.7448 -3.7448 -3.3951 -3.3951 2.8737 2.8737 3.2598 3.2598 4.3285 4.3285 4.4665 4.4665 5.5967 5.5967 6.0668 6.0668 6.2747 6.2747 6.4281 6.4281 6.9369 6.9369 7.2573 7.2573 8.6403 8.6403 13.5667 13.5667 14.8837 14.8837 14.8975 14.8975 16.2870 16.2870 k = 0.5000-0.6271-1.0102 ( 2148 PWs) bands (ev): -9.1181 -9.1181 -9.1001 -9.1001 -4.7129 -4.7129 -4.5545 -4.5545 -3.9269 -3.9269 -3.7295 -3.7295 -3.4112 -3.4112 2.8681 2.8681 3.2818 3.2818 4.3182 4.3182 4.4881 4.4881 5.5924 5.5924 6.0258 6.0258 6.2435 6.2435 6.4142 6.4142 6.9512 6.9512 7.2638 7.2638 8.6526 8.6526 13.6793 13.6793 14.8969 14.8969 14.9173 14.9173 16.1573 16.1573 k = 0.5000-0.6163-1.0281 ( 2142 PWs) bands (ev): -9.1259 -9.1259 -9.0910 -9.0910 -4.7041 -4.7041 -4.5599 -4.5599 -3.9253 -3.9253 -3.7143 -3.7143 -3.4269 -3.4269 2.8622 2.8622 3.3038 3.3038 4.3104 4.3104 4.5104 4.5104 5.5823 5.5823 5.9868 5.9868 6.2144 6.2144 6.4030 6.4030 6.9662 6.9662 7.2700 7.2700 8.6650 8.6650 13.7943 13.7943 14.8886 14.8886 14.9343 14.9343 16.0517 16.0517 k = 0.5000-0.6056-1.0459 ( 2154 PWs) bands (ev): -9.1336 -9.1336 -9.0821 -9.0821 -4.6965 -4.6965 -4.5650 -4.5650 -3.9244 -3.9244 -3.6998 -3.6998 -3.4423 -3.4423 2.8560 2.8560 3.3257 3.3257 4.3052 4.3052 4.5333 4.5333 5.5662 5.5662 5.9506 5.9506 6.1870 6.1870 6.3945 6.3945 6.9818 6.9818 7.2758 7.2758 8.6774 8.6774 13.9114 13.9114 14.8526 14.8526 14.9487 14.9487 15.9766 15.9766 k = 0.5000-0.5948-1.0637 ( 2156 PWs) bands (ev): -9.1410 -9.1410 -9.0737 -9.0737 -4.6900 -4.6900 -4.5695 -4.5695 -3.9237 -3.9237 -3.6862 -3.6862 -3.4566 -3.4566 2.8496 2.8496 3.3476 3.3476 4.3027 4.3027 4.5567 4.5567 5.5444 5.5444 5.9176 5.9176 6.1610 6.1610 6.3887 6.3887 6.9980 6.9980 7.2814 7.2814 8.6898 8.6898 14.0303 14.0303 14.7870 14.7870 14.9604 14.9604 15.9349 15.9349 k = 0.5000-0.5841-1.0816 ( 2146 PWs) bands (ev): -9.1480 -9.1480 -9.0657 -9.0657 -4.6847 -4.6847 -4.5730 -4.5730 -3.9232 -3.9232 -3.6741 -3.6741 -3.4693 -3.4693 2.8431 2.8431 3.3693 3.3693 4.3029 4.3029 4.5804 4.5804 5.5177 5.5177 5.8878 5.8878 6.1364 6.1364 6.3855 6.3855 7.0146 7.0146 7.2868 7.2868 8.7021 8.7021 14.1500 14.1500 14.6953 14.6953 14.9694 14.9694 15.9245 15.9245 k = 0.5000-0.5733-1.0994 ( 2146 PWs) bands (ev): -9.1548 -9.1548 -9.0582 -9.0582 -4.6812 -4.6812 -4.5757 -4.5757 -3.9230 -3.9230 -3.6647 -3.6647 -3.4799 -3.4799 2.8366 2.8366 3.3910 3.3910 4.3059 4.3059 4.6044 4.6044 5.4868 5.4868 5.8605 5.8605 6.1128 6.1128 6.3845 6.3845 7.0317 7.0317 7.2920 7.2920 8.7140 8.7140 14.2667 14.2667 14.5872 14.5872 14.9754 14.9754 15.9398 15.9398 k = 0.5000-0.5625-1.1173 ( 2146 PWs) bands (ev): -9.1611 -9.1611 -9.0513 -9.0513 -4.6794 -4.6794 -4.5773 -4.5773 -3.9229 -3.9229 -3.6586 -3.6586 -3.4876 -3.4876 2.8304 2.8304 3.4125 3.4125 4.3116 4.3116 4.6287 4.6287 5.4531 5.4531 5.8353 5.8353 6.0903 6.0903 6.3856 6.3856 7.0491 7.0491 7.2971 7.2971 8.7253 8.7253 14.3485 14.3485 14.5013 14.5013 14.9785 14.9785 15.9744 15.9744 k = 0.5000-0.5518-1.1351 ( 2146 PWs) bands (ev): -9.1670 -9.1670 -9.0451 -9.0451 -4.6795 -4.6795 -4.5776 -4.5776 -3.9231 -3.9231 -3.6566 -3.6566 -3.4918 -3.4918 2.8245 2.8245 3.4338 3.4338 4.3199 4.3199 4.6530 4.6530 5.4178 5.4178 5.8116 5.8116 6.0686 6.0686 6.3883 6.3883 7.0669 7.0669 7.3022 7.3022 8.7360 8.7360 14.2760 14.2760 14.5627 14.5627 14.9788 14.9788 16.0230 16.0230 k = 0.5000-0.5410-1.1529 ( 2148 PWs) bands (ev): -9.1725 -9.1725 -9.0395 -9.0395 -4.6813 -4.6813 -4.5769 -4.5769 -3.9234 -3.9234 -3.6591 -3.6591 -3.4921 -3.4921 2.8190 2.8190 3.4551 3.4551 4.3307 4.3307 4.6773 4.6773 5.3818 5.3818 5.7889 5.7889 6.0479 6.0479 6.3922 6.3922 7.0848 7.0848 7.3072 7.3072 8.7457 8.7457 14.1419 14.1419 14.6820 14.6820 14.9767 14.9767 16.0821 16.0821 k = 0.5000-0.5303-1.1708 ( 2150 PWs) bands (ev): -9.1776 -9.1776 -9.0347 -9.0347 -4.6846 -4.6846 -4.5754 -4.5754 -3.9238 -3.9238 -3.6656 -3.6656 -3.4891 -3.4891 2.8142 2.8142 3.4763 3.4763 4.3439 4.3439 4.7014 4.7014 5.3461 5.3461 5.7670 5.7670 6.0281 6.0281 6.3971 6.3971 7.1030 7.1030 7.3122 7.3122 8.7541 8.7541 13.9990 13.9990 14.8076 14.8076 14.9740 14.9740 16.1491 16.1491 k = 0.8183-0.4483-1.0155 ( 2150 PWs) bands (ev): -9.1776 -9.1776 -9.0347 -9.0347 -4.6846 -4.6846 -4.5754 -4.5754 -3.9238 -3.9238 -3.6656 -3.6656 -3.4891 -3.4891 2.8142 2.8142 3.4763 3.4763 4.3439 4.3439 4.7014 4.7014 5.3461 5.3461 5.7670 5.7670 6.0281 6.0281 6.3971 6.3971 7.1030 7.1030 7.3122 7.3122 8.7541 8.7541 13.9990 13.9990 14.8076 14.8076 14.9740 14.9740 16.1491 16.1491 k = 0.8131-0.4390-0.9979 ( 2154 PWs) bands (ev): -9.1821 -9.1821 -9.0308 -9.0308 -4.6892 -4.6892 -4.5732 -4.5732 -3.9244 -3.9244 -3.6753 -3.6753 -3.4836 -3.4836 2.8101 2.8101 3.4972 3.4972 4.3592 4.3592 4.7249 4.7249 5.3118 5.3118 5.7459 5.7459 6.0095 6.0095 6.4024 6.4024 7.1210 7.1210 7.3173 7.3173 8.7608 8.7608 13.8561 13.8561 14.9138 14.9138 14.9898 14.9898 16.2215 16.2215 k = 0.8080-0.4297-0.9803 ( 2152 PWs) bands (ev): -9.1861 -9.1861 -9.0277 -9.0277 -4.6946 -4.6946 -4.5706 -4.5706 -3.9250 -3.9250 -3.6873 -3.6873 -3.4766 -3.4766 2.8069 2.8069 3.5181 3.5181 4.3765 4.3765 4.7479 4.7479 5.2791 5.2791 5.7254 5.7254 5.9919 5.9919 6.4080 6.4080 7.1391 7.1391 7.3226 7.3226 8.7657 8.7657 13.7144 13.7144 14.9321 14.9321 15.0927 15.0927 16.2989 16.2989 k = 0.8029-0.4204-0.9626 ( 2152 PWs) bands (ev): -9.1896 -9.1896 -9.0255 -9.0255 -4.7009 -4.7009 -4.5678 -4.5678 -3.9259 -3.9259 -3.7008 -3.7008 -3.4690 -3.4690 2.8047 2.8047 3.5390 3.5390 4.3958 4.3958 4.7701 4.7701 5.2486 5.2486 5.7055 5.7055 5.9753 5.9753 6.4135 6.4135 7.1571 7.1571 7.3281 7.3281 8.7684 8.7684 13.5753 13.5753 14.9203 14.9203 15.2244 15.2244 16.3807 16.3807 k = 0.7977-0.4111-0.9450 ( 2152 PWs) bands (ev): -9.1925 -9.1925 -9.0242 -9.0242 -4.7077 -4.7077 -4.5651 -4.5651 -3.9269 -3.9269 -3.7153 -3.7153 -3.4611 -3.4611 2.8036 2.8036 3.5601 3.5601 4.4168 4.4168 4.7911 4.7911 5.2207 5.2207 5.6861 5.6861 5.9598 5.9598 6.4187 6.4187 7.1748 7.1748 7.3339 7.3339 8.7686 8.7686 13.4399 13.4399 14.9021 14.9021 15.3608 15.3608 16.4665 16.4665 k = 0.7926-0.4018-0.9274 ( 2152 PWs) bands (ev): -9.1949 -9.1949 -9.0239 -9.0239 -4.7148 -4.7148 -4.5625 -4.5625 -3.9282 -3.9282 -3.7304 -3.7304 -3.4537 -3.4537 2.8037 2.8037 3.5813 3.5813 4.4394 4.4394 4.8105 4.8105 5.1961 5.1961 5.6675 5.6675 5.9454 5.9454 6.4234 6.4234 7.1923 7.1923 7.3402 7.3402 8.7657 8.7657 13.3091 13.3091 14.8796 14.8796 15.4994 15.4994 16.5558 16.5558 k = 0.7875-0.3925-0.9097 ( 2154 PWs) bands (ev): -9.1967 -9.1967 -9.0246 -9.0246 -4.7223 -4.7223 -4.5601 -4.5601 -3.9296 -3.9296 -3.7458 -3.7458 -3.4469 -3.4469 2.8052 2.8052 3.6028 3.6028 4.4633 4.4633 4.8280 4.8280 5.1753 5.1753 5.6498 5.6498 5.9322 5.9322 6.4275 6.4275 7.2093 7.2093 7.3470 7.3470 8.7594 8.7594 13.1836 13.1836 14.8534 14.8534 15.6396 15.6396 16.6485 16.6485 k = 0.7823-0.3832-0.8921 ( 2158 PWs) bands (ev): -9.1979 -9.1979 -9.0264 -9.0264 -4.7300 -4.7300 -4.5580 -4.5580 -3.9314 -3.9314 -3.7613 -3.7613 -3.4411 -3.4411 2.8080 2.8080 3.6246 3.6246 4.4882 4.4882 4.8427 4.8427 5.1589 5.1589 5.6331 5.6331 5.9201 5.9201 6.4309 6.4309 7.2257 7.2257 7.3545 7.3545 8.7494 8.7494 13.0639 13.0639 14.8235 14.8235 15.7808 15.7808 16.7443 16.7443 k = 0.7772-0.3739-0.8745 ( 2162 PWs) bands (ev): -9.1986 -9.1986 -9.0293 -9.0293 -4.7379 -4.7379 -4.5563 -4.5563 -3.9335 -3.9335 -3.7766 -3.7766 -3.4362 -3.4362 2.8122 2.8122 3.6469 3.6469 4.5141 4.5141 4.8543 4.8543 5.1476 5.1476 5.6176 5.6176 5.9095 5.9095 6.4333 6.4333 7.2413 7.2413 7.3627 7.3627 8.7352 8.7352 12.9506 12.9506 14.7900 14.7900 15.9226 15.9226 16.8431 16.8431 k = 0.7721-0.3646-0.8568 ( 2164 PWs) bands (ev): -9.1986 -9.1986 -9.0332 -9.0332 -4.7457 -4.7457 -4.5549 -4.5549 -3.9358 -3.9358 -3.7917 -3.7917 -3.4327 -3.4327 2.8181 2.8181 3.6697 3.6697 4.5405 4.5405 4.8622 4.8622 5.1416 5.1416 5.6035 5.6035 5.9002 5.9002 6.4349 6.4349 7.2561 7.2561 7.3720 7.3720 8.7165 8.7165 12.8441 12.8441 14.7528 14.7528 16.0645 16.0645 16.9444 16.9444 k = 0.7669-0.3553-0.8392 ( 2162 PWs) bands (ev): -9.1980 -9.1980 -9.0383 -9.0383 -4.7535 -4.7535 -4.5539 -4.5539 -3.9386 -3.9386 -3.8065 -3.8065 -3.4303 -3.4303 2.8255 2.8255 3.6930 3.6930 4.5674 4.5674 4.8664 4.8664 5.1412 5.1412 5.5909 5.5909 5.8923 5.8923 6.4356 6.4356 7.2698 7.2698 7.3822 7.3822 8.6930 8.6930 12.7447 12.7447 14.7119 14.7119 16.2056 16.2056 17.0474 17.0474 k = 0.7618-0.3460-0.8216 ( 2162 PWs) bands (ev): -9.1968 -9.1968 -9.0444 -9.0444 -4.7614 -4.7614 -4.5533 -4.5533 -3.9417 -3.9417 -3.8207 -3.8207 -3.4294 -3.4294 2.8345 2.8345 3.7169 3.7169 4.5942 4.5942 4.8672 4.8672 5.1458 5.1458 5.5800 5.5800 5.8860 5.8860 6.4353 6.4353 7.2824 7.2824 7.3934 7.3934 8.6645 8.6645 12.6527 12.6527 14.6673 14.6673 16.3446 16.3446 17.1498 17.1498 k = 0.7567-0.3367-0.8040 ( 2154 PWs) bands (ev): -9.1950 -9.1950 -9.0518 -9.0518 -4.7690 -4.7690 -4.5531 -4.5531 -3.9452 -3.9452 -3.8343 -3.8343 -3.4299 -3.4299 2.8452 2.8452 3.7414 3.7414 4.6209 4.6209 4.8655 4.8655 5.1548 5.1548 5.5710 5.5710 5.8813 5.8813 6.4341 6.4341 7.2939 7.2939 7.4057 7.4057 8.6309 8.6309 12.5682 12.5682 14.6190 14.6190 16.4795 16.4795 17.2405 17.2405 k = 0.7515-0.3273-0.7863 ( 2158 PWs) bands (ev): -9.1926 -9.1926 -9.0602 -9.0602 -4.7767 -4.7767 -4.5533 -4.5533 -3.9493 -3.9493 -3.8475 -3.8475 -3.4319 -3.4319 2.8576 2.8576 3.7666 3.7666 4.6470 4.6470 4.8619 4.8619 5.1672 5.1672 5.5640 5.5640 5.8782 5.8782 6.4318 6.4318 7.3045 7.3045 7.4189 7.4189 8.5919 8.5919 12.4913 12.4913 14.5670 14.5670 16.6071 16.6071 17.2908 17.2908 k = 0.7464-0.3180-0.7687 ( 2154 PWs) bands (ev): -9.1895 -9.1895 -9.0697 -9.0697 -4.7842 -4.7842 -4.5540 -4.5540 -3.9539 -3.9539 -3.8598 -3.8598 -3.4353 -3.4353 2.8716 2.8716 3.7924 3.7924 4.6723 4.6723 4.8575 4.8575 5.1822 5.1822 5.5592 5.5592 5.8770 5.8770 6.4287 6.4287 7.3141 7.3141 7.4327 7.4327 8.5477 8.5477 12.4219 12.4219 14.5114 14.5114 16.7222 16.7222 17.3223 17.3223 k = 0.7413-0.3087-0.7511 ( 2152 PWs) bands (ev): -9.1858 -9.1858 -9.0804 -9.0804 -4.7915 -4.7915 -4.5551 -4.5551 -3.9591 -3.9591 -3.8715 -3.8715 -3.4402 -3.4402 2.8873 2.8873 3.8188 3.8188 4.6964 4.6964 4.8529 4.8529 5.1989 5.1989 5.5566 5.5566 5.8777 5.8777 6.4247 6.4247 7.3231 7.3231 7.4472 7.4472 8.4983 8.4983 12.3599 12.3599 14.4521 14.4521 16.8181 16.8181 17.3697 17.3697 k = 0.7361-0.2994-0.7334 ( 2146 PWs) bands (ev): -9.1815 -9.1815 -9.0921 -9.0921 -4.7987 -4.7987 -4.5567 -4.5567 -3.9648 -3.9648 -3.8822 -3.8822 -3.4466 -3.4466 2.9047 2.9047 3.8457 3.8457 4.7192 4.7192 4.8488 4.8488 5.2168 5.2168 5.5564 5.5564 5.8805 5.8805 6.4199 6.4199 7.3314 7.3314 7.4619 7.4619 8.4440 8.4440 12.3051 12.3051 14.3893 14.3893 16.8902 16.8902 17.4437 17.4437 k = 0.7310-0.2901-0.7158 ( 2138 PWs) bands (ev): -9.1766 -9.1766 -9.1049 -9.1049 -4.8056 -4.8056 -4.5587 -4.5587 -3.9709 -3.9709 -3.8921 -3.8921 -3.4544 -3.4544 2.9238 2.9238 3.8731 3.8731 4.7403 4.7403 4.8457 4.8457 5.2356 5.2356 5.5584 5.5584 5.8854 5.8854 6.4142 6.4142 7.3393 7.3393 7.4769 7.4769 8.3850 8.3850 12.2572 12.2572 14.3229 14.3229 16.9401 16.9401 17.5439 17.5439 k = 0.7259-0.2808-0.6982 ( 2136 PWs) bands (ev): -9.1710 -9.1710 -9.1187 -9.1187 -4.8125 -4.8125 -4.5612 -4.5612 -3.9778 -3.9778 -3.9012 -3.9012 -3.4636 -3.4636 2.9445 2.9445 3.9006 3.9006 4.7597 4.7597 4.8439 4.8439 5.2547 5.2547 5.5625 5.5625 5.8927 5.8927 6.4079 6.4079 7.3468 7.3468 7.4919 7.4919 8.3217 8.3217 12.2158 12.2158 14.2531 14.2531 16.9743 16.9743 17.6628 17.6628 k = 0.7207-0.2715-0.6805 ( 2138 PWs) bands (ev): -9.1649 -9.1649 -9.1335 -9.1335 -4.8191 -4.8191 -4.5642 -4.5642 -3.9851 -3.9851 -3.9097 -3.9097 -3.4743 -3.4743 2.9667 2.9667 3.9283 3.9283 4.7771 4.7771 4.8440 4.8440 5.2741 5.2741 5.5687 5.5687 5.9026 5.9026 6.4009 6.4009 7.3540 7.3540 7.5069 7.5069 8.2545 8.2545 12.1805 12.1805 14.1800 14.1800 17.0000 17.0000 17.7888 17.7888 k = 0.7156-0.2622-0.6629 ( 2136 PWs) bands (ev): -9.1583 -9.1583 -9.1492 -9.1492 -4.8256 -4.8256 -4.5677 -4.5677 -3.9929 -3.9929 -3.9173 -3.9173 -3.4862 -3.4862 2.9904 2.9904 3.9558 3.9558 4.7923 4.7923 4.8462 4.8462 5.2935 5.2935 5.5766 5.5766 5.9150 5.9150 6.3934 6.3934 7.3609 7.3609 7.5216 7.5216 8.1840 8.1840 12.1508 12.1508 14.1037 14.1037 17.0219 17.0219 17.8865 17.8865 k = 0.7105-0.2529-0.6453 ( 2136 PWs) bands (ev): -9.1659 -9.1659 -9.1509 -9.1509 -4.8318 -4.8318 -4.5717 -4.5717 -4.0009 -4.0009 -3.9243 -3.9243 -3.4993 -3.4993 3.0156 3.0156 3.9829 3.9829 4.8056 4.8056 4.8509 4.8509 5.3127 5.3127 5.5861 5.5861 5.9303 5.9303 6.3854 6.3854 7.3675 7.3675 7.5360 7.5360 8.1107 8.1107 12.1263 12.1263 14.0244 14.0244 17.0429 17.0429 17.8886 17.8886 k = 0.7053-0.2436-0.6276 ( 2140 PWs) bands (ev): -9.1834 -9.1834 -9.1431 -9.1431 -4.8379 -4.8379 -4.5763 -4.5763 -4.0091 -4.0091 -3.9308 -3.9308 -3.5136 -3.5136 3.0422 3.0422 4.0094 4.0094 4.8171 4.8171 4.8581 4.8581 5.3317 5.3317 5.5967 5.5967 5.9485 5.9485 6.3771 6.3771 7.3738 7.3738 7.5501 7.5501 8.0352 8.0352 12.1063 12.1063 13.9423 13.9423 17.0645 17.0645 17.8412 17.8412 k = 0.7002-0.2343-0.6100 ( 2140 PWs) bands (ev): -9.2016 -9.2016 -9.1347 -9.1347 -4.8437 -4.8437 -4.5814 -4.5814 -4.0173 -4.0173 -3.9369 -3.9369 -3.5289 -3.5289 3.0700 3.0700 4.0348 4.0348 4.8274 4.8274 4.8677 4.8677 5.3503 5.3503 5.6082 5.6082 5.9695 5.9695 6.3687 6.3687 7.3796 7.3796 7.5638 7.5638 7.9582 7.9582 12.0905 12.0905 13.8573 13.8573 17.0877 17.0877 17.7758 17.7758 k = 0.6951-0.2250-0.5924 ( 2140 PWs) bands (ev): -9.2206 -9.2206 -9.1258 -9.1258 -4.8494 -4.8494 -4.5870 -4.5870 -4.0256 -4.0256 -3.9425 -3.9425 -3.5452 -3.5452 3.0990 3.0990 4.0590 4.0590 4.8372 4.8372 4.8795 4.8795 5.3686 5.3686 5.6202 5.6202 5.9933 5.9933 6.3601 6.3601 7.3848 7.3848 7.5769 7.5769 7.8805 7.8805 12.0783 12.0783 13.7698 13.7698 17.1124 17.1124 17.7009 17.7009 k = 0.6899-0.2157-0.5747 ( 2142 PWs) bands (ev): -9.2403 -9.2403 -9.1164 -9.1164 -4.8549 -4.8549 -4.5932 -4.5932 -4.0338 -4.0338 -3.9478 -3.9478 -3.5624 -3.5624 3.1291 3.1291 4.0816 4.0816 4.8468 4.8468 4.8934 4.8934 5.3864 5.3864 5.6326 5.6326 6.0197 6.0197 6.3518 6.3518 7.3890 7.3890 7.5894 7.5894 7.8032 7.8032 12.0693 12.0693 13.6799 13.6799 17.1380 17.1380 17.6209 17.6209 k = 0.6848-0.2063-0.5571 ( 2142 PWs) bands (ev): -9.2605 -9.2605 -9.1066 -9.1066 -4.8602 -4.8602 -4.5999 -4.5999 -4.0419 -4.0419 -3.9527 -3.9527 -3.5803 -3.5803 3.1602 3.1602 4.1024 4.1024 4.8565 4.8565 4.9097 4.9097 5.4037 5.4037 5.6452 5.6452 6.0485 6.0485 6.3438 6.3438 7.3912 7.3912 7.6009 7.6009 7.7279 7.7279 12.0631 12.0631 13.5878 13.5878 17.1623 17.1623 17.5401 17.5401 k = 0.6797-0.1970-0.5395 ( 2140 PWs) bands (ev): -9.2813 -9.2813 -9.0962 -9.0962 -4.8654 -4.8654 -4.6071 -4.6071 -4.0499 -4.0499 -3.9573 -3.9573 -3.5988 -3.5988 3.1920 3.1920 4.1211 4.1211 4.8661 4.8661 4.9285 4.9285 5.4206 5.4206 5.6577 5.6577 6.0792 6.0792 6.3366 6.3366 7.3897 7.3897 7.6090 7.6090 7.6593 7.6593 12.0592 12.0592 13.4936 13.4936 17.1795 17.1795 17.4657 17.4657 k = 0.6745-0.1877-0.5218 ( 2146 PWs) bands (ev): -9.3025 -9.3025 -9.0855 -9.0855 -4.8704 -4.8704 -4.6149 -4.6149 -4.0577 -4.0577 -3.9617 -3.9617 -3.6179 -3.6179 3.2245 3.2245 4.1376 4.1376 4.8758 4.8758 4.9499 4.9499 5.4369 5.4369 5.6702 5.6702 6.1109 6.1109 6.3307 6.3307 7.3809 7.3809 7.5834 7.5834 7.6320 7.6320 12.0574 12.0574 13.3975 13.3975 17.1750 17.1750 17.4132 17.4132 k = 0.6694-0.1784-0.5042 ( 2144 PWs) bands (ev): -9.3241 -9.3241 -9.0744 -9.0744 -4.8753 -4.8753 -4.6232 -4.6232 -4.0654 -4.0654 -3.9658 -3.9658 -3.6373 -3.6373 3.2575 3.2575 4.1519 4.1519 4.8858 4.8858 4.9739 4.9739 5.4528 5.4528 5.6825 5.6825 6.1429 6.1429 6.3270 6.3270 7.3579 7.3579 7.5379 7.5379 7.6391 7.6391 12.0572 12.0572 13.2998 13.2998 17.1313 17.1313 17.4006 17.4006 k = 0.6643-0.1691-0.4866 ( 2150 PWs) bands (ev): -9.3460 -9.3460 -9.0629 -9.0629 -4.8801 -4.8801 -4.6321 -4.6321 -4.0731 -4.0731 -3.9696 -3.9696 -3.6571 -3.6571 3.2909 3.2909 4.1639 4.1639 4.8961 4.8961 5.0000 5.0000 5.4681 5.4681 5.6945 5.6945 6.1734 6.1734 6.3269 6.3269 7.3159 7.3159 7.5103 7.5103 7.6483 7.6483 12.0583 12.0583 13.2004 13.2004 17.0556 17.0556 17.4214 17.4214 k = 0.6591-0.1598-0.4690 ( 2152 PWs) bands (ev): -9.3682 -9.3682 -9.0510 -9.0510 -4.8848 -4.8848 -4.6415 -4.6415 -4.0806 -4.0806 -3.9731 -3.9731 -3.6770 -3.6770 3.3244 3.3244 4.1738 4.1738 4.9070 4.9070 5.0280 5.0280 5.4828 5.4828 5.7063 5.7063 6.1999 6.1999 6.3331 6.3331 7.2596 7.2596 7.4989 7.4989 7.6575 7.6575 12.0606 12.0606 13.0998 13.0998 16.9647 16.9647 17.4590 17.4590 k = 0.6540-0.1505-0.4513 ( 2148 PWs) bands (ev): -9.3905 -9.3905 -9.0389 -9.0389 -4.8894 -4.8894 -4.6512 -4.6512 -4.0879 -4.0879 -3.9763 -3.9763 -3.6968 -3.6968 3.3580 3.3580 4.1815 4.1815 4.9187 4.9187 5.0574 5.0574 5.4970 5.4970 5.7177 5.7177 6.2193 6.2193 6.3482 6.3482 7.1969 7.1969 7.4964 7.4964 7.6662 7.6662 12.0638 12.0638 12.9981 12.9981 16.8671 16.8671 17.5050 17.5050 k = 0.6489-0.1412-0.4337 ( 2148 PWs) bands (ev): -9.4129 -9.4129 -9.0265 -9.0265 -4.8940 -4.8940 -4.6614 -4.6614 -4.0953 -4.0953 -3.9793 -3.9793 -3.7165 -3.7165 3.3913 3.3913 4.1873 4.1873 4.9314 4.9314 5.0875 5.0875 5.5106 5.5106 5.7287 5.7287 6.2310 6.2310 6.3731 6.3731 7.1330 7.1330 7.4981 7.4981 7.6743 7.6743 12.0676 12.0676 12.8953 12.8953 16.7662 16.7662 17.5561 17.5561 k = 0.6437-0.1319-0.4161 ( 2152 PWs) bands (ev): -9.4353 -9.4353 -9.0139 -9.0139 -4.8985 -4.8985 -4.6720 -4.6720 -4.1027 -4.1027 -3.9820 -3.9820 -3.7361 -3.7361 3.4244 3.4244 4.1914 4.1914 4.9452 4.9452 5.1178 5.1178 5.5234 5.5234 5.7390 5.7390 6.2370 6.2370 6.4054 6.4054 7.0707 7.0707 7.5021 7.5021 7.6819 7.6819 12.0719 12.0719 12.7919 12.7919 16.6638 16.6638 17.6105 17.6105 k = 0.6386-0.1226-0.3984 ( 2152 PWs) bands (ev): -9.4577 -9.4577 -9.0011 -9.0011 -4.9031 -4.9031 -4.6829 -4.6829 -4.1101 -4.1101 -3.9843 -3.9843 -3.7552 -3.7552 3.4568 3.4568 4.1940 4.1940 4.9603 4.9603 5.1478 5.1478 5.5353 5.5353 5.7487 5.7487 6.2403 6.2403 6.4422 6.4422 7.0117 7.0117 7.5073 7.5073 7.6888 7.6888 12.0765 12.0765 12.6878 12.6878 16.5608 16.5608 17.6672 17.6672 k = 0.6335-0.1133-0.3808 ( 2150 PWs) bands (ev): -9.4799 -9.4799 -8.9882 -8.9882 -4.9076 -4.9076 -4.6941 -4.6941 -4.1175 -4.1175 -3.9864 -3.9864 -3.7738 -3.7738 3.4886 3.4886 4.1951 4.1951 4.9767 4.9767 5.1768 5.1768 5.5462 5.5462 5.7575 5.7575 6.2425 6.2425 6.4815 6.4815 6.9573 6.9573 7.5132 7.5132 7.6952 7.6952 12.0813 12.0813 12.5835 12.5835 16.4578 16.4578 17.7252 17.7252 k = 0.6283-0.1040-0.3632 ( 2148 PWs) bands (ev): -9.5019 -9.5019 -8.9752 -8.9752 -4.9122 -4.9122 -4.7055 -4.7055 -4.1251 -4.1251 -3.9883 -3.9883 -3.7918 -3.7918 3.5195 3.5195 4.1950 4.1950 4.9945 4.9945 5.2045 5.2045 5.5559 5.5559 5.7653 5.7653 6.2447 6.2447 6.5220 6.5220 6.9086 6.9086 7.5195 7.5195 7.7009 7.7009 12.0861 12.0861 12.4789 12.4789 16.3553 16.3553 17.7837 17.7837 k = 0.6232-0.0946-0.3455 ( 2142 PWs) bands (ev): -9.5236 -9.5236 -8.9621 -8.9621 -4.9168 -4.9168 -4.7171 -4.7171 -4.1327 -4.1327 -3.9898 -3.9898 -3.8090 -3.8090 3.5493 3.5493 4.1940 4.1940 5.0138 5.0138 5.2304 5.2304 5.5641 5.5641 5.7720 5.7720 6.2471 6.2471 6.5629 6.5629 6.8669 6.8669 7.5260 7.5260 7.7061 7.7061 12.0910 12.0910 12.3745 12.3745 16.2536 16.2536 17.8420 17.8420 k = 0.6181-0.0853-0.3279 ( 2140 PWs) bands (ev): -9.5450 -9.5450 -8.9490 -8.9490 -4.9214 -4.9214 -4.7287 -4.7287 -4.1406 -4.1406 -3.9911 -3.9911 -3.8255 -3.8255 3.5780 3.5780 4.1920 4.1920 5.0344 5.0344 5.2542 5.2542 5.5705 5.5705 5.7776 5.7776 6.2494 6.2494 6.6034 6.6034 6.8337 6.8337 7.5325 7.5325 7.7106 7.7106 12.0957 12.0957 12.2704 12.2704 16.1531 16.1531 17.8991 17.8991 k = 0.6129-0.0760-0.3103 ( 2148 PWs) bands (ev): -9.5660 -9.5660 -8.9359 -8.9359 -4.9263 -4.9263 -4.7404 -4.7404 -4.1487 -4.1487 -3.9923 -3.9923 -3.8411 -3.8411 3.6054 3.6054 4.1893 4.1893 5.0563 5.0563 5.2756 5.2756 5.5749 5.5749 5.7820 5.7820 6.2512 6.2512 6.6427 6.6427 6.8106 6.8106 7.5388 7.5388 7.7145 7.7145 12.1001 12.1001 12.1669 12.1669 16.0540 16.0540 17.9543 17.9543 k = 0.6078-0.0667-0.2926 ( 2146 PWs) bands (ev): -9.5865 -9.5865 -8.9230 -8.9230 -4.9313 -4.9313 -4.7519 -4.7519 -4.1569 -4.1569 -3.9931 -3.9931 -3.8558 -3.8558 3.6313 3.6313 4.1859 4.1859 5.0793 5.0793 5.2946 5.2946 5.5770 5.5770 5.7856 5.7856 6.2520 6.2520 6.6791 6.6791 6.7997 6.7997 7.5450 7.5450 7.7178 7.7178 12.0635 12.0635 12.1050 12.1050 15.9567 15.9567 18.0067 18.0067 k = 0.6027-0.0574-0.2750 ( 2146 PWs) bands (ev): -9.6065 -9.6065 -8.9102 -8.9102 -4.9364 -4.9364 -4.7633 -4.7633 -4.1654 -4.1654 -3.9938 -3.9938 -3.8694 -3.8694 3.6559 3.6559 4.1821 4.1821 5.1034 5.1034 5.3111 5.3111 5.5768 5.5768 5.7886 5.7886 6.2510 6.2510 6.7106 6.7106 6.8037 6.8037 7.5510 7.5510 7.7205 7.7205 11.9620 11.9620 12.1088 12.1088 15.8614 15.8614 18.0556 18.0556 k = 0.5975-0.0481-0.2574 ( 2140 PWs) bands (ev): -9.6259 -9.6259 -8.8975 -8.8975 -4.9416 -4.9416 -4.7743 -4.7743 -4.1739 -4.1739 -3.9943 -3.9943 -3.8819 -3.8819 3.6789 3.6789 4.1779 4.1779 5.1283 5.1283 5.3251 5.3251 5.5743 5.5743 5.7913 5.7913 6.2481 6.2481 6.7365 6.7365 6.8228 6.8228 7.5567 7.5567 7.7227 7.7227 11.8616 11.8616 12.1125 12.1125 15.7684 15.7684 18.1003 18.1003 k = 0.5924-0.0388-0.2397 ( 2138 PWs) bands (ev): -9.6447 -9.6447 -8.8851 -8.8851 -4.9471 -4.9471 -4.7850 -4.7850 -4.1826 -4.1826 -3.9946 -3.9946 -3.8934 -3.8934 3.7004 3.7004 4.1735 4.1735 5.1534 5.1534 5.3366 5.3366 5.5697 5.5697 5.7938 5.7938 6.2433 6.2433 6.7603 6.7603 6.8528 6.8528 7.5620 7.5620 7.7242 7.7242 11.7627 11.7627 12.1159 12.1159 15.6780 15.6780 18.1403 18.1403 k = 0.5873-0.0295-0.2221 ( 2140 PWs) bands (ev): -9.6627 -9.6627 -8.8731 -8.8731 -4.9527 -4.9527 -4.7953 -4.7953 -4.1914 -4.1914 -3.9949 -3.9949 -3.9039 -3.9039 3.7203 3.7203 4.1688 4.1688 5.1784 5.1784 5.3458 5.3458 5.5636 5.5636 5.7964 5.7964 6.2370 6.2370 6.7865 6.7865 6.8881 6.8881 7.5668 7.5668 7.7251 7.7251 11.6658 11.6658 12.1189 12.1189 15.5904 15.5904 18.1755 18.1755 k = 0.5821-0.0202-0.2045 ( 2136 PWs) bands (ev): -9.6800 -9.6800 -8.8613 -8.8613 -4.9585 -4.9585 -4.8051 -4.8051 -4.2001 -4.2001 -3.9950 -3.9950 -3.9132 -3.9132 3.7387 3.7387 4.1639 4.1639 5.2026 5.2026 5.3530 5.3530 5.5565 5.5565 5.7993 5.7993 6.2299 6.2299 6.8167 6.8167 6.9255 6.9255 7.5711 7.5711 7.7254 7.7254 11.5711 11.5711 12.1216 12.1216 15.5058 15.5058 18.2057 18.2057 k = 0.5770-0.0109-0.1869 ( 2138 PWs) bands (ev): -9.6965 -9.6965 -8.8499 -8.8499 -4.9645 -4.9645 -4.8144 -4.8144 -4.2089 -4.2089 -3.9951 -3.9951 -3.9216 -3.9216 3.7556 3.7556 4.1590 4.1590 5.2250 5.2250 5.3590 5.3590 5.5492 5.5492 5.8023 5.8023 6.2223 6.2223 6.8509 6.8509 6.9636 6.9636 7.5747 7.5747 7.7251 7.7251 11.4790 11.4790 12.1239 12.1239 15.4246 15.4246 18.2311 18.2311 k = 0.5719-0.0016-0.1692 ( 2136 PWs) bands (ev): -9.7121 -9.7121 -8.8390 -8.8390 -4.9706 -4.9706 -4.8230 -4.8230 -4.2175 -4.2175 -3.9952 -3.9952 -3.9290 -3.9290 3.7710 3.7710 4.1541 4.1541 5.2441 5.2441 5.3649 5.3649 5.5423 5.5423 5.8056 5.8056 6.2149 6.2149 6.8884 6.8884 7.0016 7.0016 7.5776 7.5776 7.7243 7.7243 11.3898 11.3898 12.1259 12.1259 15.3470 15.3470 18.2522 18.2522 k = 0.5667 0.0077-0.1516 ( 2138 PWs) bands (ev): -9.7269 -9.7269 -8.8286 -8.8286 -4.9768 -4.9768 -4.8309 -4.8309 -4.2258 -4.2258 -3.9953 -3.9953 -3.9356 -3.9356 3.7849 3.7849 4.1493 4.1493 5.2580 5.2580 5.3725 5.3725 5.5363 5.5363 5.8090 5.8090 6.2080 6.2080 6.9282 6.9282 7.0392 7.0392 7.5797 7.5797 7.7229 7.7229 11.3039 11.3039 12.1275 12.1275 15.2733 15.2733 18.2692 18.2692 k = 0.5616 0.0170-0.1340 ( 2142 PWs) bands (ev): -9.7407 -9.7407 -8.8188 -8.8188 -4.9831 -4.9831 -4.8382 -4.8382 -4.2339 -4.2339 -3.9954 -3.9954 -3.9412 -3.9412 3.7975 3.7975 4.1446 4.1446 5.2653 5.2653 5.3833 5.3833 5.5313 5.5313 5.8126 5.8126 6.2016 6.2016 6.9695 6.9695 7.0759 7.0759 7.5809 7.5809 7.7209 7.7209 11.2218 11.2218 12.1289 12.1289 15.2037 15.2037 18.2827 18.2827 k = 0.5565 0.0264-0.1163 ( 2142 PWs) bands (ev): -9.7536 -9.7536 -8.8095 -8.8095 -4.9893 -4.9893 -4.8448 -4.8448 -4.2416 -4.2416 -3.9955 -3.9955 -3.9461 -3.9461 3.8089 3.8089 4.1402 4.1402 5.2662 5.2662 5.3974 5.3974 5.5276 5.5276 5.8163 5.8163 6.1960 6.1960 7.0115 7.0115 7.1116 7.1116 7.5811 7.5811 7.7185 7.7185 11.1438 11.1438 12.1299 12.1299 15.1385 15.1385 18.2932 18.2932 k = 0.5513 0.0357-0.0987 ( 2142 PWs) bands (ev): -9.7654 -9.7654 -8.8008 -8.8008 -4.9953 -4.9953 -4.8507 -4.8507 -4.2489 -4.2489 -3.9957 -3.9957 -3.9502 -3.9502 3.8189 3.8189 4.1359 4.1359 5.2620 5.2620 5.4138 5.4138 5.5250 5.5250 5.8201 5.8201 6.1911 6.1911 7.0535 7.0535 7.1461 7.1461 7.5803 7.5803 7.7156 7.7156 11.0705 11.0705 12.1307 12.1307 15.0779 15.0779 18.3012 18.3012 k = 0.5462 0.0450-0.0811 ( 2142 PWs) bands (ev): -9.7762 -9.7762 -8.7929 -8.7929 -5.0011 -5.0011 -4.8559 -4.8559 -4.2556 -4.2556 -3.9960 -3.9960 -3.9536 -3.9536 3.8278 3.8278 4.1319 4.1319 5.2546 5.2546 5.4308 5.4308 5.5233 5.5233 5.8239 5.8239 6.1870 6.1870 7.0948 7.0948 7.1789 7.1789 7.5783 7.5783 7.7123 7.7123 11.0021 11.0021 12.1313 12.1313 15.0223 15.0223 18.3072 18.3072 k = 0.5411 0.0543-0.0634 ( 2142 PWs) bands (ev): -9.7860 -9.7860 -8.7857 -8.7857 -5.0066 -5.0066 -4.8605 -4.8605 -4.2618 -4.2618 -3.9962 -3.9962 -3.9564 -3.9564 3.8356 3.8356 4.1282 4.1282 5.2455 5.2455 5.4475 5.4475 5.5224 5.5224 5.8276 5.8276 6.1835 6.1835 7.1349 7.1349 7.2100 7.2100 7.5750 7.5750 7.7087 7.7087 10.9393 10.9393 12.1316 12.1316 14.9717 14.9717 18.3116 18.3116 k = 0.5359 0.0636-0.0458 ( 2140 PWs) bands (ev): -9.7946 -9.7946 -8.7792 -8.7792 -5.0117 -5.0117 -4.8645 -4.8645 -4.2673 -4.2673 -3.9965 -3.9965 -3.9586 -3.9586 3.8423 3.8423 4.1249 4.1249 5.2358 5.2358 5.4628 5.4628 5.5223 5.5223 5.8313 5.8313 6.1807 6.1807 7.1732 7.1732 7.2388 7.2388 7.5706 7.5706 7.7049 7.7049 10.8825 10.8825 12.1318 12.1318 14.9266 14.9266 18.3146 18.3146 k = 0.5308 0.0729-0.0282 ( 2136 PWs) bands (ev): -9.8022 -9.8022 -8.7735 -8.7735 -5.0163 -5.0163 -4.8678 -4.8678 -4.2722 -4.2722 -3.9968 -3.9968 -3.9604 -3.9604 3.8481 3.8481 4.1220 4.1220 5.2263 5.2263 5.4761 5.4761 5.5229 5.5229 5.8347 5.8347 6.1785 6.1785 7.2090 7.2090 7.2652 7.2652 7.5650 7.5650 7.7009 7.7009 10.8322 10.8322 12.1319 12.1319 14.8870 14.8870 18.3168 18.3168 k = 0.5257 0.0822-0.0105 ( 2136 PWs) bands (ev): -9.8086 -9.8086 -8.7686 -8.7686 -5.0203 -5.0203 -4.8707 -4.8707 -4.2764 -4.2764 -3.9972 -3.9972 -3.9618 -3.9618 3.8528 3.8528 4.1195 4.1195 5.2175 5.2175 5.4870 5.4870 5.5242 5.5242 5.8379 5.8379 6.1767 6.1767 7.2419 7.2419 7.2886 7.2886 7.5583 7.5583 7.6971 7.6971 10.7887 10.7887 12.1319 12.1319 14.8531 14.8531 18.3182 18.3182 k = 0.5205 0.0915 0.0071 ( 2140 PWs) bands (ev): -9.8139 -9.8139 -8.7646 -8.7646 -5.0237 -5.0237 -4.8730 -4.8730 -4.2799 -4.2799 -3.9976 -3.9976 -3.9629 -3.9629 3.8567 3.8567 4.1173 4.1173 5.2099 5.2099 5.4951 5.4951 5.5263 5.5263 5.8407 5.8407 6.1753 6.1753 7.2711 7.2711 7.3087 7.3087 7.5509 7.5509 7.6934 7.6934 10.7525 10.7525 12.1318 12.1318 14.8252 14.8252 18.3190 18.3190 k = 0.5154 0.1008 0.0247 ( 2136 PWs) bands (ev): -9.8180 -9.8180 -8.7614 -8.7614 -5.0263 -5.0263 -4.8747 -4.8747 -4.2826 -4.2826 -3.9979 -3.9979 -3.9636 -3.9636 3.8596 3.8596 4.1157 4.1157 5.2037 5.2037 5.5006 5.5006 5.5290 5.5290 5.8430 5.8430 6.1743 6.1743 7.2958 7.2958 7.3252 7.3252 7.5434 7.5434 7.6902 7.6902 10.7239 10.7239 12.1318 12.1318 14.8033 14.8033 18.3195 18.3195 k = 0.5103 0.1101 0.0424 ( 2138 PWs) bands (ev): -9.8210 -9.8210 -8.7592 -8.7592 -5.0283 -5.0283 -4.8760 -4.8760 -4.2846 -4.2846 -3.9981 -3.9981 -3.9641 -3.9641 3.8617 3.8617 4.1145 4.1145 5.1992 5.1992 5.5038 5.5038 5.5316 5.5316 5.8447 5.8447 6.1736 6.1736 7.3147 7.3147 7.3375 7.3375 7.5367 7.5367 7.6877 7.6877 10.7033 10.7033 12.1317 12.1317 14.7876 14.7876 18.3198 18.3198 k = 0.5051 0.1194 0.0600 ( 2138 PWs) bands (ev): -9.8228 -9.8228 -8.7578 -8.7578 -5.0295 -5.0295 -4.8767 -4.8767 -4.2858 -4.2858 -3.9982 -3.9982 -3.9644 -3.9644 3.8630 3.8630 4.1137 4.1137 5.1964 5.1964 5.5054 5.5054 5.5335 5.5335 5.8458 5.8458 6.1732 6.1732 7.3266 7.3266 7.3453 7.3453 7.5318 7.5318 7.6862 7.6862 10.6908 10.6908 12.1316 12.1316 14.7782 14.7782 18.3200 18.3200 k = 0.5000 0.1287 0.0776 ( 2138 PWs) bands (ev): -9.8233 -9.8233 -8.7574 -8.7574 -5.0299 -5.0299 -4.8769 -4.8769 -4.2862 -4.2862 -3.9983 -3.9983 -3.9645 -3.9645 3.8634 3.8634 4.1135 4.1135 5.1954 5.1954 5.5059 5.5059 5.5342 5.5342 5.8461 5.8461 6.1731 6.1731 7.3307 7.3307 7.3480 7.3480 7.5300 7.5300 7.6856 7.6856 10.6866 10.6866 12.1316 12.1316 14.7750 14.7750 18.3200 18.3200 k = 0.5000 0.1287 0.0776 ( 2138 PWs) bands (ev): -9.8233 -9.8233 -8.7574 -8.7574 -5.0299 -5.0299 -4.8769 -4.8769 -4.2862 -4.2862 -3.9983 -3.9983 -3.9645 -3.9645 3.8634 3.8634 4.1135 4.1135 5.1954 5.1954 5.5059 5.5059 5.5342 5.5342 5.8461 5.8461 6.1731 6.1731 7.3307 7.3307 7.3480 7.3480 7.5300 7.5300 7.6856 7.6856 10.6866 10.6866 12.1316 12.1316 14.7750 14.7750 18.3200 18.3200 k = 0.4800 0.1236 0.0745 ( 2138 PWs) bands (ev): -9.8238 -9.8238 -8.7567 -8.7567 -5.0299 -5.0299 -4.8770 -4.8770 -4.2862 -4.2862 -3.9983 -3.9983 -3.9645 -3.9645 3.8299 3.8299 4.1488 4.1488 5.1959 5.1959 5.5063 5.5063 5.5348 5.5348 5.8464 5.8464 6.1731 6.1731 7.3262 7.3262 7.3393 7.3393 7.5380 7.5380 7.6894 7.6894 10.6776 10.6776 12.1399 12.1399 14.7718 14.7718 18.3242 18.3242 k = 0.4600 0.1184 0.0714 ( 2135 PWs) bands (ev): -9.8252 -9.8252 -8.7547 -8.7547 -5.0299 -5.0299 -4.8771 -4.8771 -4.2863 -4.2863 -3.9984 -3.9984 -3.9645 -3.9645 3.7583 3.7583 4.2258 4.2258 5.1973 5.1973 5.5075 5.5075 5.5369 5.5369 5.8474 5.8474 6.1731 6.1731 7.3133 7.3133 7.3167 7.3167 7.5586 7.5586 7.7002 7.7002 10.6513 10.6513 12.1642 12.1642 14.7624 14.7624 18.3366 18.3366 k = 0.4400 0.1133 0.0683 ( 2138 PWs) bands (ev): -9.8274 -9.8274 -8.7515 -8.7515 -5.0299 -5.0299 -4.8773 -4.8773 -4.2864 -4.2864 -3.9986 -3.9986 -3.9645 -3.9645 3.6755 3.6755 4.3174 4.3174 5.1996 5.1996 5.5096 5.5096 5.5402 5.5402 5.8489 5.8489 6.1731 6.1731 7.2860 7.2860 7.2934 7.2934 7.5859 7.5859 7.7166 7.7166 10.6094 10.6094 12.2025 12.2025 14.7469 14.7469 18.3571 18.3571 k = 0.4200 0.1081 0.0652 ( 2138 PWs) bands (ev): -9.8304 -9.8304 -8.7470 -8.7470 -5.0300 -5.0300 -4.8776 -4.8776 -4.2865 -4.2865 -3.9989 -3.9989 -3.9645 -3.9645 3.5904 3.5904 4.4146 4.4146 5.2030 5.2030 5.5123 5.5123 5.5449 5.5449 5.8512 5.8512 6.1731 6.1731 7.2508 7.2508 7.2681 7.2681 7.6162 7.6162 7.7371 7.7371 10.5544 10.5544 12.2526 12.2526 14.7258 14.7258 18.3851 18.3851 k = 0.4000 0.1030 0.0621 ( 2141 PWs) bands (ev): -9.8343 -9.8343 -8.7414 -8.7414 -5.0300 -5.0300 -4.8780 -4.8780 -4.2868 -4.2868 -3.9992 -3.9992 -3.9646 -3.9646 3.5058 3.5058 4.5144 4.5144 5.2076 5.2076 5.5158 5.5158 5.5508 5.5508 5.8540 5.8540 6.1731 6.1731 7.2132 7.2132 7.2388 7.2388 7.6477 7.6477 7.7601 7.7601 10.4889 10.4889 12.3118 12.3118 14.6996 14.6996 18.4203 18.4203 k = 0.3800 0.0978 0.0590 ( 2147 PWs) bands (ev): -9.8387 -9.8387 -8.7348 -8.7348 -5.0300 -5.0300 -4.8786 -4.8786 -4.2870 -4.2870 -3.9997 -3.9997 -3.9646 -3.9646 3.4230 3.4230 4.6148 4.6148 5.2137 5.2137 5.5200 5.5200 5.5580 5.5580 5.8576 5.8576 6.1732 6.1732 7.1743 7.1743 7.2068 7.2068 7.6792 7.6792 7.7846 7.7846 10.4152 10.4152 12.3776 12.3776 14.6688 14.6688 18.4618 18.4618 k = 0.3600 0.0927 0.0559 ( 2147 PWs) bands (ev): -9.8438 -9.8438 -8.7273 -8.7273 -5.0301 -5.0301 -4.8791 -4.8791 -4.2873 -4.2873 -4.0001 -4.0001 -3.9647 -3.9647 3.3427 3.3427 4.7147 4.7147 5.2219 5.2219 5.5247 5.5247 5.5664 5.5664 5.8619 5.8619 6.1732 6.1732 7.1345 7.1345 7.1728 7.1728 7.7103 7.7103 7.8098 7.8098 10.3354 10.3354 12.4480 12.4480 14.6342 14.6342 18.5092 18.5092 k = 0.3400 0.0875 0.0528 ( 2141 PWs) bands (ev): -9.8494 -9.8494 -8.7191 -8.7191 -5.0300 -5.0300 -4.8796 -4.8796 -4.2875 -4.2875 -4.0005 -4.0005 -3.9646 -3.9646 3.2652 3.2652 4.8124 4.8124 5.2331 5.2331 5.5299 5.5299 5.5760 5.5760 5.8669 5.8669 6.1733 6.1733 7.0944 7.0944 7.1375 7.1375 7.7406 7.7406 7.8351 7.8351 10.2512 10.2512 12.5213 12.5213 14.5964 14.5964 18.5615 18.5615 k = 0.3200 0.0824 0.0497 ( 2153 PWs) bands (ev): -9.8553 -9.8553 -8.7102 -8.7102 -5.0302 -5.0302 -4.8803 -4.8803 -4.2879 -4.2879 -4.0012 -4.0012 -3.9648 -3.9648 3.1910 3.1910 4.9054 4.9054 5.2492 5.2492 5.5354 5.5354 5.5866 5.5866 5.8727 5.8727 6.1733 6.1733 7.0542 7.0542 7.1013 7.1013 7.7698 7.7698 7.8601 7.8601 10.1639 10.1639 12.5959 12.5959 14.5562 14.5562 18.6178 18.6178 k = 0.3000 0.0772 0.0466 ( 2153 PWs) bands (ev): -9.8615 -9.8615 -8.7009 -8.7009 -5.0302 -5.0302 -4.8810 -4.8810 -4.2882 -4.2882 -4.0017 -4.0017 -3.9648 -3.9648 3.1203 3.1203 4.9895 4.9895 5.2737 5.2737 5.5412 5.5412 5.5984 5.5984 5.8793 5.8793 6.1733 6.1733 7.0143 7.0143 7.0648 7.0648 7.7978 7.7978 7.8845 7.8845 10.0750 10.0750 12.6707 12.6707 14.5143 14.5143 18.6775 18.6775 k = 0.2800 0.0721 0.0435 ( 2153 PWs) bands (ev): -9.8679 -9.8679 -8.6913 -8.6913 -5.0302 -5.0302 -4.8817 -4.8817 -4.2885 -4.2885 -4.0023 -4.0023 -3.9648 -3.9648 3.0533 3.0533 5.0587 5.0587 5.3121 5.3121 5.5472 5.5472 5.6110 5.6110 5.8866 5.8866 6.1733 6.1733 6.9748 6.9748 7.0281 7.0281 7.8244 7.8244 7.9081 7.9081 9.9852 9.9852 12.7447 12.7447 14.4714 14.4714 18.7397 18.7397 k = 0.2600 0.0669 0.0404 ( 2153 PWs) bands (ev): -9.8743 -9.8743 -8.6816 -8.6816 -5.0303 -5.0303 -4.8824 -4.8824 -4.2889 -4.2889 -4.0029 -4.0029 -3.9649 -3.9649 2.9902 2.9902 5.1084 5.1084 5.3684 5.3684 5.5533 5.5533 5.6245 5.6245 5.8948 5.8948 6.1734 6.1734 6.9360 6.9360 6.9918 6.9918 7.8496 7.8496 7.9305 7.9305 9.8957 9.8957 12.8170 12.8170 14.4283 14.4283 18.8033 18.8033 k = 0.2400 0.0618 0.0373 ( 2153 PWs) bands (ev): -9.8806 -9.8806 -8.6719 -8.6719 -5.0303 -5.0303 -4.8831 -4.8831 -4.2892 -4.2892 -4.0036 -4.0036 -3.9649 -3.9649 2.9311 2.9311 5.1405 5.1405 5.4398 5.4398 5.5593 5.5593 5.6389 5.6389 5.9037 5.9037 6.1734 6.1734 6.8982 6.8982 6.9559 6.9559 7.8731 7.8731 7.9518 7.9518 9.8072 9.8072 12.8869 12.8869 14.3855 14.3855 18.8676 18.8676 k = 0.2200 0.0566 0.0341 ( 2159 PWs) bands (ev): -9.8869 -9.8869 -8.6623 -8.6623 -5.0304 -5.0304 -4.8839 -4.8839 -4.2896 -4.2896 -4.0043 -4.0043 -3.9650 -3.9650 2.8762 2.8762 5.1611 5.1611 5.5191 5.5191 5.5651 5.5651 5.6543 5.6543 5.9132 5.9132 6.1735 6.1735 6.8616 6.8616 6.9209 6.9209 7.8949 7.8949 7.9717 7.9717 9.7206 9.7206 12.9536 12.9536 14.3436 14.3436 18.9316 18.9316 k = 0.2000 0.0515 0.0310 ( 2165 PWs) bands (ev): -9.8929 -9.8929 -8.6530 -8.6530 -5.0305 -5.0305 -4.8847 -4.8847 -4.2900 -4.2900 -4.0049 -4.0049 -3.9651 -3.9651 2.8256 2.8256 5.1753 5.1753 5.5706 5.5706 5.5989 5.5989 5.6722 5.6722 5.9234 5.9234 6.1735 6.1735 6.8264 6.8264 6.8870 6.8870 7.9150 7.9150 7.9901 7.9901 9.6366 9.6366 13.0167 13.0167 14.3033 14.3033 18.9944 18.9944 k = 0.1800 0.0463 0.0279 ( 2162 PWs) bands (ev): -9.8985 -9.8985 -8.6442 -8.6442 -5.0305 -5.0305 -4.8853 -4.8853 -4.2903 -4.2903 -4.0054 -4.0054 -3.9651 -3.9651 2.7795 2.7795 5.1857 5.1857 5.5758 5.5758 5.6623 5.6623 5.7059 5.7059 5.9340 5.9340 6.1736 6.1736 6.7930 6.7930 6.8545 6.8545 7.9333 7.9333 8.0070 8.0070 9.5563 9.5563 13.0756 13.0756 14.2651 14.2651 19.0551 19.0551 k = 0.1600 0.0412 0.0248 ( 2162 PWs) bands (ev): -9.9038 -9.9038 -8.6359 -8.6359 -5.0305 -5.0305 -4.8859 -4.8859 -4.2906 -4.2906 -4.0060 -4.0060 -3.9651 -3.9651 2.7380 2.7380 5.1937 5.1937 5.5806 5.5806 5.6885 5.6885 5.7733 5.7733 5.9448 5.9448 6.1736 6.1736 6.7617 6.7617 6.8239 6.8239 7.9497 7.9497 8.0224 8.0224 9.4804 9.4804 13.1299 13.1299 14.2294 14.2294 19.1128 19.1128 k = 0.1400 0.0360 0.0217 ( 2159 PWs) bands (ev): -9.9087 -9.9087 -8.6284 -8.6284 -5.0305 -5.0305 -4.8865 -4.8865 -4.2909 -4.2909 -4.0064 -4.0064 -3.9651 -3.9651 2.7011 2.7011 5.2002 5.2002 5.5850 5.5850 5.7048 5.7048 5.8453 5.8453 5.9556 5.9556 6.1737 6.1737 6.7327 6.7327 6.7953 6.7953 7.9642 7.9642 8.0360 8.0360 9.4100 9.4100 13.1790 13.1790 14.1966 14.1966 19.1664 19.1664 k = 0.1200 0.0309 0.0186 ( 2162 PWs) bands (ev): -9.9130 -9.9130 -8.6216 -8.6216 -5.0305 -5.0305 -4.8871 -4.8871 -4.2912 -4.2912 -4.0069 -4.0069 -3.9652 -3.9652 2.6690 2.6690 5.2054 5.2054 5.5888 5.5888 5.7187 5.7187 5.9124 5.9124 5.9661 5.9661 6.1738 6.1738 6.7065 6.7065 6.7693 6.7693 7.9768 7.9768 8.0479 8.0479 9.3459 9.3459 13.2225 13.2225 14.1673 14.1673 19.2152 19.2152 k = 0.1000 0.0257 0.0155 ( 2159 PWs) bands (ev): -9.9167 -9.9167 -8.6157 -8.6157 -5.0305 -5.0305 -4.8876 -4.8876 -4.2914 -4.2914 -4.0073 -4.0073 -3.9652 -3.9652 2.6417 2.6417 5.2097 5.2097 5.5921 5.5921 5.7310 5.7310 5.9723 5.9723 5.9759 5.9759 6.1739 6.1739 6.6835 6.6835 6.7462 6.7462 7.9874 7.9874 8.0581 8.0581 9.2893 9.2893 13.2602 13.2602 14.1417 14.1417 19.2582 19.2582 k = 0.0800 0.0206 0.0124 ( 2153 PWs) bands (ev): -9.9198 -9.9198 -8.6107 -8.6107 -5.0305 -5.0305 -4.8879 -4.8879 -4.2915 -4.2915 -4.0076 -4.0076 -3.9651 -3.9651 2.6193 2.6193 5.2131 5.2131 5.5949 5.5949 5.7417 5.7417 5.9847 5.9847 6.0235 6.0235 6.1739 6.1739 6.6640 6.6640 6.7265 6.7265 7.9960 7.9960 8.0665 8.0665 9.2413 9.2413 13.2916 13.2916 14.1202 14.1202 19.2946 19.2946 k = 0.0600 0.0154 0.0093 ( 2168 PWs) bands (ev): -9.9223 -9.9223 -8.6068 -8.6068 -5.0306 -5.0306 -4.8883 -4.8883 -4.2918 -4.2918 -4.0080 -4.0080 -3.9654 -3.9654 2.6017 2.6017 5.2156 5.2156 5.5969 5.5969 5.7501 5.7501 5.9920 5.9920 6.0647 6.0647 6.1739 6.1739 6.6483 6.6483 6.7106 6.7106 8.0027 8.0027 8.0730 8.0730 9.2027 9.2027 13.3163 13.3163 14.1031 14.1031 19.3237 19.3237 k = 0.0400 0.0103 0.0062 ( 2168 PWs) bands (ev): -9.9240 -9.9240 -8.6040 -8.6040 -5.0307 -5.0307 -4.8885 -4.8885 -4.2919 -4.2919 -4.0082 -4.0082 -3.9654 -3.9654 2.5892 2.5892 5.2175 5.2175 5.5984 5.5984 5.7565 5.7565 5.9976 5.9976 6.0950 6.0950 6.1739 6.1739 6.6369 6.6369 6.6990 6.6990 8.0074 8.0074 8.0777 8.0777 9.1744 9.1744 13.3343 13.3343 14.0907 14.0907 19.3450 19.3450 k = 0.0200 0.0051 0.0031 ( 2161 PWs) bands (ev): -9.9251 -9.9251 -8.6023 -8.6023 -5.0306 -5.0306 -4.8886 -4.8886 -4.2919 -4.2919 -4.0083 -4.0083 -3.9653 -3.9653 2.5817 2.5817 5.2186 5.2186 5.5993 5.5993 5.7605 5.7605 6.0011 6.0011 6.1135 6.1135 6.1740 6.1740 6.6299 6.6299 6.6918 6.6918 8.0103 8.0103 8.0805 8.0805 9.1571 9.1571 13.3451 13.3451 14.0832 14.0832 19.3579 19.3579 k = 0.0000 0.0000 0.0000 ( 2155 PWs) bands (ev): -9.9255 -9.9255 -8.6017 -8.6017 -5.0306 -5.0306 -4.8886 -4.8886 -4.2919 -4.2919 -4.0083 -4.0083 -3.9652 -3.9652 2.5792 2.5792 5.2190 5.2190 5.5997 5.5997 5.7619 5.7619 6.0023 6.0023 6.1197 6.1197 6.1740 6.1740 6.6276 6.6276 6.6894 6.6894 8.0113 8.0113 8.0815 8.0815 9.1513 9.1513 13.3487 13.3487 14.0807 14.0807 19.3622 19.3622 k = 0.0000 0.0000 0.0000 ( 2155 PWs) bands (ev): -9.9255 -9.9255 -8.6017 -8.6017 -5.0306 -5.0306 -4.8886 -4.8886 -4.2919 -4.2919 -4.0083 -4.0083 -3.9652 -3.9652 2.5792 2.5792 5.2190 5.2190 5.5997 5.5997 5.7619 5.7619 6.0023 6.0023 6.1197 6.1197 6.1740 6.1740 6.6276 6.6276 6.6894 6.6894 8.0113 8.0113 8.0815 8.0815 9.1513 9.1513 13.3487 13.3487 14.0807 14.0807 19.3622 19.3622 k = 0.0052-0.0094-0.0177 ( 2161 PWs) bands (ev): -9.9249 -9.9249 -8.6022 -8.6022 -5.0302 -5.0302 -4.8884 -4.8884 -4.2915 -4.2915 -4.0083 -4.0083 -3.9652 -3.9652 2.5792 2.5792 5.2200 5.2200 5.5994 5.5994 5.7605 5.7605 6.0004 6.0004 6.1215 6.1215 6.1741 6.1741 6.6256 6.6256 6.6873 6.6873 8.0102 8.0102 8.0804 8.0804 9.1558 9.1558 13.3520 13.3520 14.0809 14.0809 19.3640 19.3640 k = 0.0103-0.0187-0.0355 ( 2167 PWs) bands (ev): -9.9231 -9.9231 -8.6038 -8.6038 -5.0289 -5.0289 -4.8876 -4.8876 -4.2902 -4.2902 -4.0082 -4.0082 -3.9649 -3.9649 2.5791 2.5791 5.2232 5.2232 5.5984 5.5984 5.7566 5.7566 5.9950 5.9950 6.1266 6.1266 6.1744 6.1744 6.6190 6.6190 6.6817 6.6817 8.0071 8.0071 8.0775 8.0775 9.1692 9.1692 13.3617 13.3617 14.0816 14.0816 19.3691 19.3691 k = 0.0155-0.0281-0.0532 ( 2161 PWs) bands (ev): -9.9202 -9.9202 -8.6064 -8.6064 -5.0268 -5.0268 -4.8862 -4.8862 -4.2880 -4.2880 -4.0079 -4.0079 -3.9643 -3.9643 2.5791 2.5791 5.2285 5.2285 5.5968 5.5968 5.7502 5.7502 5.9869 5.9869 6.1342 6.1342 6.1751 6.1751 6.6060 6.6060 6.6747 6.6747 8.0016 8.0016 8.0730 8.0730 9.1912 9.1912 13.3777 13.3777 14.0827 14.0827 19.3776 19.3776 k = 0.0207-0.0375-0.0710 ( 2159 PWs) bands (ev): -9.9161 -9.9161 -8.6100 -8.6100 -5.0238 -5.0238 -4.8842 -4.8842 -4.2849 -4.2849 -4.0075 -4.0075 -3.9634 -3.9634 2.5789 2.5789 5.2358 5.2358 5.5943 5.5943 5.7414 5.7414 5.9769 5.9769 6.1437 6.1437 6.1760 6.1760 6.5853 6.5853 6.6686 6.6686 7.9934 7.9934 8.0670 8.0670 9.2213 9.2213 13.4000 13.4000 14.0843 14.0843 19.3894 19.3894 k = 0.0258-0.0468-0.0887 ( 2159 PWs) bands (ev): -9.9108 -9.9108 -8.6145 -8.6145 -5.0202 -5.0202 -4.8817 -4.8817 -4.2811 -4.2811 -4.0072 -4.0072 -3.9622 -3.9622 2.5788 2.5788 5.2450 5.2450 5.5905 5.5905 5.7305 5.7305 5.9654 5.9654 6.1543 6.1543 6.1773 6.1773 6.5569 6.5569 6.6638 6.6638 7.9823 7.9823 8.0601 8.0601 9.2590 9.2590 13.4284 13.4284 14.0863 14.0863 19.4045 19.4045 k = 0.0310-0.0562-0.1064 ( 2157 PWs) bands (ev): -9.9045 -9.9045 -8.6201 -8.6201 -5.0158 -5.0158 -4.8785 -4.8785 -4.2764 -4.2764 -4.0068 -4.0068 -3.9606 -3.9606 2.5786 2.5786 5.2559 5.2559 5.5850 5.5850 5.7179 5.7179 5.9529 5.9529 6.1655 6.1655 6.1792 6.1792 6.5221 6.5221 6.6602 6.6602 7.9680 7.9680 8.0525 8.0525 9.3037 9.3037 13.4627 13.4627 14.0887 14.0887 19.4226 19.4226 k = 0.0362-0.0656-0.1242 ( 2157 PWs) bands (ev): -9.8970 -9.8970 -8.6266 -8.6266 -5.0109 -5.0109 -4.8747 -4.8747 -4.2709 -4.2709 -4.0063 -4.0063 -3.9586 -3.9586 2.5784 2.5784 5.2682 5.2682 5.5771 5.5771 5.7043 5.7043 5.9396 5.9396 6.1761 6.1761 6.1826 6.1826 6.4828 6.4828 6.6573 6.6573 7.9506 7.9506 8.0442 8.0442 9.3547 9.3547 13.5027 13.5027 14.0915 14.0915 19.4434 19.4434 k = 0.0413-0.0749-0.1419 ( 2159 PWs) bands (ev): -9.8884 -9.8884 -8.6340 -8.6340 -5.0055 -5.0055 -4.8702 -4.8702 -4.2648 -4.2648 -4.0059 -4.0059 -3.9561 -3.9561 2.5781 2.5781 5.2817 5.2817 5.5658 5.5658 5.6906 5.6906 5.9254 5.9254 6.1817 6.1817 6.1915 6.1915 6.4404 6.4404 6.6546 6.6546 7.9302 7.9302 8.0352 8.0352 9.4111 9.4111 13.5481 13.5481 14.0946 14.0946 19.4668 19.4668 k = 0.0465-0.0843-0.1596 ( 2157 PWs) bands (ev): -9.8787 -9.8787 -8.6422 -8.6422 -4.9998 -4.9998 -4.8650 -4.8650 -4.2579 -4.2579 -4.0054 -4.0054 -3.9529 -3.9529 2.5778 2.5778 5.2957 5.2957 5.5505 5.5505 5.6776 5.6776 5.9105 5.9105 6.1849 6.1849 6.2030 6.2030 6.3969 6.3969 6.6521 6.6521 7.9073 7.9073 8.0256 8.0256 9.4724 9.4724 13.5987 13.5987 14.0981 14.0981 19.4920 19.4920 k = 0.0516-0.0936-0.1774 ( 2161 PWs) bands (ev): -9.8679 -9.8679 -8.6513 -8.6513 -4.9938 -4.9938 -4.8591 -4.8591 -4.2505 -4.2505 -4.0051 -4.0051 -3.9492 -3.9492 2.5775 2.5775 5.3097 5.3097 5.5307 5.5307 5.6659 5.6659 5.8947 5.8947 6.1877 6.1877 6.2143 6.2143 6.3544 6.3544 6.6495 6.6495 7.8821 7.8821 8.0151 8.0151 9.5379 9.5379 13.6541 13.6541 14.1018 14.1018 19.5180 19.5180 k = 0.0568-0.1030-0.1951 ( 2161 PWs) bands (ev): -9.8562 -9.8562 -8.6611 -8.6611 -4.9876 -4.9876 -4.8524 -4.8524 -4.2426 -4.2426 -4.0047 -4.0047 -3.9446 -3.9446 2.5770 2.5770 5.3224 5.3224 5.5067 5.5067 5.6554 5.6554 5.8784 5.8784 6.1892 6.1892 6.2238 6.2238 6.3167 6.3167 6.6469 6.6469 7.8549 7.8549 8.0038 8.0038 9.6069 9.6069 13.7141 13.7141 14.1059 14.1059 19.5430 19.5430 k = 0.0620-0.1124-0.2129 ( 2161 PWs) bands (ev): -9.8434 -9.8434 -8.6716 -8.6716 -4.9814 -4.9814 -4.8448 -4.8448 -4.2342 -4.2342 -4.0043 -4.0043 -3.9392 -3.9392 2.5766 2.5766 5.3322 5.3322 5.4799 5.4799 5.6457 5.6457 5.8617 5.8617 6.1859 6.1859 6.2289 6.2289 6.2913 6.2913 6.6442 6.6442 7.8261 7.8261 7.9915 7.9915 9.6789 9.6789 13.7783 13.7783 14.1101 14.1101 19.5628 19.5628 k = 0.0671-0.1217-0.2306 ( 2163 PWs) bands (ev): -9.8297 -9.8297 -8.6828 -8.6828 -4.9752 -4.9752 -4.8365 -4.8365 -4.2255 -4.2255 -4.0040 -4.0040 -3.9328 -3.9328 2.5761 2.5761 5.3358 5.3358 5.4524 5.4524 5.6360 5.6360 5.8455 5.8455 6.1712 6.1712 6.2305 6.2305 6.2850 6.2850 6.6416 6.6416 7.7960 7.7960 7.9782 7.9782 9.7533 9.7533 13.8466 13.8466 14.1146 14.1146 19.5687 19.5687 k = 0.0723-0.1311-0.2483 ( 2153 PWs) bands (ev): -9.8151 -9.8151 -8.6946 -8.6946 -4.9690 -4.9690 -4.8274 -4.8274 -4.2164 -4.2164 -4.0035 -4.0035 -3.9254 -3.9254 2.5756 2.5756 5.3287 5.3287 5.4278 5.4278 5.6261 5.6261 5.8310 5.8310 6.1464 6.1464 6.2349 6.2349 6.2914 6.2914 6.6391 6.6391 7.7649 7.7649 7.9639 7.9639 9.8298 9.8298 13.9185 13.9185 14.1193 14.1193 19.5466 19.5466 k = 0.0775-0.1405-0.2661 ( 2151 PWs) bands (ev): -9.7995 -9.7995 -8.7069 -8.7069 -4.9630 -4.9630 -4.8176 -4.8176 -4.2072 -4.2072 -4.0032 -4.0032 -3.9169 -3.9169 2.5750 2.5750 5.3071 5.3071 5.4077 5.4077 5.6160 5.6160 5.8194 5.8194 6.1189 6.1189 6.2428 6.2428 6.3025 6.3025 6.6367 6.6367 7.7330 7.7330 7.9486 7.9486 9.9079 9.9079 13.9936 13.9936 14.1241 14.1241 19.4910 19.4910 k = 0.0826-0.1498-0.2838 ( 2153 PWs) bands (ev): -9.7832 -9.7832 -8.7197 -8.7197 -4.9573 -4.9573 -4.8071 -4.8071 -4.1980 -4.1980 -4.0028 -4.0028 -3.9073 -3.9073 2.5744 2.5744 5.2732 5.2732 5.3880 5.3880 5.6068 5.6068 5.8120 5.8120 6.0931 6.0931 6.2530 6.2530 6.3157 6.3157 6.6348 6.6348 7.7006 7.7006 7.9323 7.9323 9.9872 9.9872 14.0715 14.0715 14.1295 14.1295 19.4130 19.4130 k = 0.0878-0.1592-0.3016 ( 2153 PWs) bands (ev): -9.7660 -9.7660 -8.7329 -8.7329 -4.9517 -4.9517 -4.7960 -4.7960 -4.1888 -4.1888 -4.0024 -4.0024 -3.8965 -3.8965 2.5737 2.5737 5.2317 5.2317 5.3625 5.3625 5.5995 5.5995 5.8091 5.8091 6.0705 6.0705 6.2646 6.2646 6.3302 6.3302 6.6335 6.6335 7.6678 7.6678 7.9150 7.9150 10.0676 10.0676 14.1303 14.1303 14.1569 14.1569 19.3243 19.3243 k = 0.0930-0.1686-0.3193 ( 2153 PWs) bands (ev): -9.7482 -9.7482 -8.7465 -8.7465 -4.9464 -4.9464 -4.7845 -4.7845 -4.1797 -4.1797 -4.0018 -4.0018 -3.8844 -3.8844 2.5730 2.5730 5.1854 5.1854 5.3285 5.3285 5.5947 5.5947 5.8104 5.8104 6.0516 6.0516 6.2768 6.2768 6.3465 6.3465 6.6331 6.6331 7.6350 7.6350 7.8968 7.8968 10.1486 10.1486 14.1372 14.1372 14.2387 14.2387 19.2312 19.2312 k = 0.0981-0.1779-0.3370 ( 2151 PWs) bands (ev): -9.7296 -9.7296 -8.7604 -8.7604 -4.9412 -4.9412 -4.7725 -4.7725 -4.1707 -4.1707 -4.0011 -4.0011 -3.8711 -3.8711 2.5723 2.5723 5.1359 5.1359 5.2862 5.2862 5.5917 5.5917 5.8149 5.8149 6.0365 6.0365 6.2884 6.2884 6.3652 6.3652 6.6338 6.6338 7.6021 7.6021 7.8777 7.8777 10.2300 10.2300 14.1423 14.1423 14.3249 14.3249 19.1368 19.1368 k = 0.1033-0.1873-0.3548 ( 2151 PWs) bands (ev): -9.7104 -9.7104 -8.7745 -8.7745 -4.9362 -4.9362 -4.7602 -4.7602 -4.1620 -4.1620 -4.0003 -4.0003 -3.8566 -3.8566 2.5716 2.5716 5.0842 5.0842 5.2371 5.2371 5.5897 5.5897 5.8208 5.8208 6.0256 6.0256 6.2982 6.2982 6.3873 6.3873 6.6361 6.6361 7.5695 7.5695 7.8578 7.8578 10.3117 10.3117 14.1471 14.1471 14.4133 14.4133 19.0426 19.0426 k = 0.1085-0.1967-0.3725 ( 2151 PWs) bands (ev): -9.6906 -9.6906 -8.7889 -8.7889 -4.9314 -4.9314 -4.7477 -4.7477 -4.1536 -4.1536 -3.9993 -3.9993 -3.8408 -3.8408 2.5709 2.5709 5.0307 5.0307 5.1829 5.1829 5.5878 5.5878 5.8265 5.8265 6.0191 6.0191 6.3053 6.3053 6.4137 6.4137 6.6400 6.6400 7.5371 7.5371 7.8370 7.8370 10.3935 10.3935 14.1517 14.1517 14.5038 14.5038 18.9497 18.9497 k = 0.1136-0.2060-0.3903 ( 2157 PWs) bands (ev): -9.6703 -9.6703 -8.8033 -8.8033 -4.9267 -4.9267 -4.7352 -4.7352 -4.1454 -4.1454 -3.9981 -3.9981 -3.8240 -3.8240 2.5702 2.5702 4.9758 4.9758 5.1252 5.1252 5.5857 5.5857 5.8303 5.8303 6.0174 6.0174 6.3092 6.3092 6.4445 6.4445 6.6459 6.6459 7.5052 7.5052 7.8154 7.8154 10.4752 10.4752 14.1563 14.1563 14.5961 14.5961 18.8587 18.8587 k = 0.1188-0.2154-0.4080 ( 2153 PWs) bands (ev): -9.6495 -9.6495 -8.8179 -8.8179 -4.9221 -4.9221 -4.7226 -4.7226 -4.1375 -4.1375 -3.9966 -3.9966 -3.8059 -3.8059 2.5696 2.5696 4.9200 4.9200 5.0650 5.0650 5.5831 5.5831 5.8314 5.8314 6.0203 6.0203 6.3099 6.3099 6.4798 6.4798 6.6540 6.6540 7.4738 7.4738 7.7931 7.7931 10.5568 10.5568 14.1607 14.1607 14.6900 14.6900 18.7700 18.7700 k = 0.1240-0.2247-0.4257 ( 2149 PWs) bands (ev): -9.6283 -9.6283 -8.8324 -8.8324 -4.9176 -4.9176 -4.7100 -4.7100 -4.1298 -4.1298 -3.9949 -3.9949 -3.7869 -3.7869 2.5690 2.5690 4.8635 4.8635 5.0033 5.0033 5.5798 5.5798 5.8294 5.8294 6.0274 6.0274 6.3075 6.3075 6.5192 6.5192 6.6645 6.6645 7.4430 7.4430 7.7702 7.7702 10.6381 10.6381 14.1651 14.1651 14.7853 14.7853 18.6838 18.6838 k = 0.1291-0.2341-0.4435 ( 2151 PWs) bands (ev): -9.6068 -9.6068 -8.8469 -8.8469 -4.9131 -4.9131 -4.6977 -4.6977 -4.1223 -4.1223 -3.9929 -3.9929 -3.7670 -3.7670 2.5685 2.5685 4.8066 4.8066 4.9407 4.9407 5.5760 5.5760 5.8244 5.8244 6.0375 6.0375 6.3021 6.3021 6.5618 6.5618 6.6775 6.6775 7.4131 7.4131 7.7466 7.7466 10.7191 10.7191 14.1694 14.1694 14.8818 14.8818 18.6003 18.6003 k = 0.1343-0.2435-0.4612 ( 2149 PWs) bands (ev): -9.5851 -9.5851 -8.8614 -8.8614 -4.9087 -4.9087 -4.6856 -4.6856 -4.1151 -4.1151 -3.9907 -3.9907 -3.7464 -3.7464 2.5681 2.5681 4.7495 4.7495 4.8777 4.8777 5.5716 5.5716 5.8171 5.8171 6.0498 6.0498 6.2943 6.2943 6.6065 6.6065 6.6940 6.6940 7.3841 7.3841 7.7226 7.7226 10.7996 10.7996 14.1737 14.1737 14.9794 14.9794 18.5195 18.5195 k = 0.1394-0.2528-0.4789 ( 2151 PWs) bands (ev): -9.5631 -9.5631 -8.8757 -8.8757 -4.9043 -4.9043 -4.6738 -4.6738 -4.1080 -4.1080 -3.9882 -3.9882 -3.7251 -3.7251 2.5679 2.5679 4.6925 4.6925 4.8147 4.8147 5.5666 5.5666 5.8081 5.8081 6.0633 6.0633 6.2843 6.2843 6.6497 6.6497 6.7163 6.7163 7.3562 7.3562 7.6981 7.6981 10.8798 10.8798 14.1780 14.1780 15.0779 15.0779 18.4414 18.4414 k = 0.1446-0.2622-0.4967 ( 2151 PWs) bands (ev): -9.5411 -9.5411 -8.8898 -8.8898 -4.8999 -4.8999 -4.6624 -4.6624 -4.1010 -4.1010 -3.9854 -3.9854 -3.7034 -3.7034 2.5679 2.5679 4.6357 4.6357 4.7520 4.7520 5.5611 5.5611 5.7977 5.7977 6.0771 6.0771 6.2725 6.2725 6.6859 6.6859 6.7495 6.7495 7.3299 7.3299 7.6732 7.6732 10.9595 10.9595 14.1823 14.1823 15.1772 15.1772 18.3659 18.3659 k = 0.1498-0.2716-0.5144 ( 2151 PWs) bands (ev): -9.5189 -9.5189 -8.9037 -8.9037 -4.8955 -4.8955 -4.6514 -4.6514 -4.0940 -4.0940 -3.9823 -3.9823 -3.6813 -3.6813 2.5681 2.5681 4.5794 4.5794 4.6899 4.6899 5.5552 5.5552 5.7865 5.7865 6.0906 6.0906 6.2595 6.2595 6.7126 6.7126 6.7948 6.7948 7.3055 7.3055 7.6481 7.6481 11.0387 11.0387 14.1868 14.1868 15.2771 15.2771 18.2927 18.2927 k = 0.1549-0.2809-0.5322 ( 2151 PWs) bands (ev): -9.4968 -9.4968 -8.9174 -8.9174 -4.8910 -4.8910 -4.6408 -4.6408 -4.0871 -4.0871 -3.9789 -3.9789 -3.6590 -3.6590 2.5686 2.5686 4.5238 4.5238 4.6287 4.6287 5.5488 5.5488 5.7746 5.7746 6.1030 6.1030 6.2459 6.2459 6.7343 6.7343 6.8460 6.8460 7.2840 7.2840 7.6228 7.6228 11.1175 11.1175 14.1915 14.1915 15.3775 15.3775 18.2215 18.2215 k = 0.1601-0.2903-0.5499 ( 2153 PWs) bands (ev): -9.4748 -9.4748 -8.9307 -8.9307 -4.8865 -4.8865 -4.6308 -4.6308 -4.0801 -4.0801 -3.9753 -3.9753 -3.6366 -3.6366 2.5694 2.5694 4.4689 4.4689 4.5685 4.5685 5.5420 5.5420 5.7622 5.7622 6.1131 6.1131 6.2330 6.2330 6.7543 6.7543 6.8979 6.8979 7.2668 7.2668 7.5975 7.5975 11.1960 11.1960 14.1966 14.1966 15.4781 15.4781 18.1519 18.1519 k = 0.1653-0.2997-0.5676 ( 2155 PWs) bands (ev): -9.4530 -9.4530 -8.9437 -8.9437 -4.8819 -4.8819 -4.6213 -4.6213 -4.0731 -4.0731 -3.9713 -3.9713 -3.6144 -3.6144 2.5705 2.5705 4.4149 4.4149 4.5095 4.5095 5.5348 5.5348 5.7494 5.7494 6.1192 6.1192 6.2225 6.2225 6.7738 6.7738 6.9458 6.9458 7.2569 7.2569 7.5725 7.5725 11.2740 11.2740 14.2020 14.2020 15.5788 15.5788 18.0835 18.0835 k = 0.1704-0.3090-0.5854 ( 2157 PWs) bands (ev): -9.4314 -9.4314 -8.9563 -8.9563 -4.8772 -4.8772 -4.6123 -4.6123 -4.0659 -4.0659 -3.9671 -3.9671 -3.5924 -3.5924 2.5721 2.5721 4.3619 4.3619 4.4521 4.4521 5.5272 5.5272 5.7363 5.7363 6.1191 6.1191 6.2168 6.2168 6.7931 6.7931 6.9842 6.9842 7.2585 7.2585 7.5480 7.5480 11.3519 11.3519 14.2080 14.2080 15.6794 15.6794 18.0157 18.0157 k = 0.1756-0.3184-0.6031 ( 2147 PWs) bands (ev): -9.4101 -9.4101 -8.9684 -8.9684 -4.8723 -4.8723 -4.6038 -4.6038 -4.0586 -4.0586 -3.9626 -3.9626 -3.5707 -3.5707 2.5741 2.5741 4.3098 4.3098 4.3966 4.3966 5.5193 5.5193 5.7231 5.7231 6.1114 6.1114 6.2173 6.2173 6.8122 6.8122 7.0077 7.0077 7.2759 7.2759 7.5250 7.5250 11.4296 11.4296 14.2147 14.2147 15.7796 15.7796 17.9478 17.9478 k = 0.1808-0.3278-0.6209 ( 2147 PWs) bands (ev): -9.3893 -9.3893 -8.9802 -8.9802 -4.8673 -4.8673 -4.5960 -4.5960 -4.0511 -4.0511 -3.9579 -3.9579 -3.5496 -3.5496 2.5766 2.5766 4.2585 4.2585 4.3432 4.3432 5.5109 5.5109 5.7096 5.7096 6.0973 6.0973 6.2230 6.2230 6.8312 6.8312 7.0150 7.0150 7.3081 7.3081 7.5051 7.5051 11.5072 11.5072 14.2221 14.2221 15.8791 15.8791 17.8793 17.8793 k = 0.1859-0.3371-0.6386 ( 2147 PWs) bands (ev): -9.3688 -9.3688 -8.9914 -8.9914 -4.8623 -4.8623 -4.5887 -4.5887 -4.0436 -4.0436 -3.9529 -3.9529 -3.5291 -3.5291 2.5796 2.5796 4.2079 4.2079 4.2923 4.2923 5.5021 5.5021 5.6959 5.6959 6.0791 6.0791 6.2317 6.2317 6.8501 6.8501 7.0099 7.0099 7.3457 7.3457 7.4935 7.4935 11.5848 11.5848 14.2305 14.2305 15.9775 15.9775 17.8093 17.8093 k = 0.1911-0.3465-0.6563 ( 2151 PWs) bands (ev): -9.3489 -9.3489 -9.0021 -9.0021 -4.8570 -4.8570 -4.5821 -4.5821 -4.0359 -4.0359 -3.9477 -3.9477 -3.5095 -3.5095 2.5833 2.5833 4.1578 4.1578 4.2444 4.2444 5.4929 5.4929 5.6820 5.6820 6.0583 6.0583 6.2419 6.2419 6.8687 6.8687 6.9975 6.9975 7.3708 7.3708 7.5029 7.5029 11.6627 11.6627 14.2399 14.2399 16.0743 16.0743 17.7374 17.7374 k = 0.1963-0.3559-0.6741 ( 2149 PWs) bands (ev): -9.3296 -9.3296 -9.0123 -9.0123 -4.8516 -4.8516 -4.5760 -4.5760 -4.0280 -4.0280 -3.9422 -3.9422 -3.4907 -3.4907 2.5876 2.5876 4.1082 4.1082 4.1997 4.1997 5.4833 5.4833 5.6679 5.6679 6.0361 6.0361 6.2528 6.2528 6.8867 6.8867 6.9812 6.9812 7.3710 7.3710 7.5423 7.5423 11.7409 11.7409 14.2505 14.2505 16.1688 16.1688 17.6630 17.6630 k = 0.2014-0.3652-0.6918 ( 2151 PWs) bands (ev): -9.3110 -9.3110 -9.0220 -9.0220 -4.8460 -4.8460 -4.5704 -4.5704 -4.0200 -4.0200 -3.9365 -3.9365 -3.4730 -3.4730 2.5926 2.5926 4.0589 4.0589 4.1586 4.1586 5.4733 5.4733 5.6534 5.6534 6.0132 6.0132 6.2637 6.2637 6.9037 6.9037 6.9633 6.9633 7.3562 7.3562 7.5995 7.5995 11.8196 11.8196 14.2625 14.2625 16.2599 16.2599 17.5857 17.5857 k = 0.2066-0.3746-0.7095 ( 2149 PWs) bands (ev): -9.2931 -9.2931 -9.0310 -9.0310 -4.8402 -4.8402 -4.5655 -4.5655 -4.0120 -4.0120 -3.9305 -3.9305 -3.4563 -3.4563 2.5984 2.5984 4.0100 4.0100 4.1210 4.1210 5.4628 5.4628 5.6385 5.6385 5.9900 5.9900 6.2745 6.2745 6.9162 6.9162 6.9484 6.9484 7.3359 7.3359 7.6638 7.6638 11.8991 11.8991 14.2760 14.2760 16.3462 16.3462 17.5055 17.5055 k = 0.2117-0.3839-0.7273 ( 2149 PWs) bands (ev): -9.2760 -9.2760 -9.0395 -9.0395 -4.8342 -4.8342 -4.5611 -4.5611 -4.0040 -4.0040 -3.9242 -3.9242 -3.4410 -3.4410 2.6050 2.6050 3.9616 3.9616 4.0870 4.0870 5.4518 5.4518 5.6229 5.6229 5.9671 5.9671 6.2849 6.2849 6.9107 6.9107 6.9502 6.9502 7.3137 7.3137 7.7308 7.7308 11.9794 11.9794 14.2910 14.2910 16.4253 16.4253 17.4223 17.4223 k = 0.2169-0.3933-0.7450 ( 2145 PWs) bands (ev): -9.2597 -9.2597 -9.0473 -9.0473 -4.8280 -4.8280 -4.5571 -4.5571 -3.9960 -3.9960 -3.9174 -3.9174 -3.4269 -3.4269 2.6124 2.6124 3.9140 3.9140 4.0567 4.0567 5.4403 5.4403 5.6064 5.6064 5.9449 5.9449 6.2947 6.2947 6.8924 6.8924 6.9641 6.9641 7.2909 7.2909 7.7987 7.7987 12.0609 12.0609 14.3077 14.3077 16.4939 16.4939 17.3367 17.3367 k = 0.2221-0.4027-0.7628 ( 2143 PWs) bands (ev): -9.2443 -9.2443 -9.0545 -9.0545 -4.8216 -4.8216 -4.5538 -4.5538 -3.9882 -3.9882 -3.9102 -3.9102 -3.4143 -3.4143 2.6207 2.6207 3.8672 3.8672 4.0300 4.0300 5.4283 5.4283 5.5889 5.5889 5.9236 5.9236 6.3038 6.3038 6.8716 6.8716 6.9798 6.9798 7.2681 7.2681 7.8662 7.8662 12.1437 12.1437 14.3263 14.3263 16.5467 16.5467 17.2488 17.2488 k = 0.2272-0.4120-0.7805 ( 2143 PWs) bands (ev): -9.2298 -9.2298 -9.0610 -9.0610 -4.8150 -4.8150 -4.5509 -4.5509 -3.9806 -3.9806 -3.9025 -3.9025 -3.4032 -3.4032 2.6299 2.6299 3.8214 3.8214 4.0069 4.0069 5.4157 5.4157 5.5702 5.5702 5.9039 5.9039 6.3122 6.3122 6.8502 6.8502 6.9952 6.9952 7.2459 7.2459 7.9327 7.9327 12.2280 12.2280 14.3467 14.3467 16.5770 16.5770 17.1590 17.1590 k = 0.2324-0.4214-0.7982 ( 2145 PWs) bands (ev): -9.2163 -9.2163 -9.0669 -9.0669 -4.8083 -4.8083 -4.5486 -4.5486 -3.9735 -3.9735 -3.8942 -3.8942 -3.3938 -3.3938 2.6400 2.6400 3.7767 3.7767 3.9873 3.9873 5.4025 5.4025 5.5501 5.5501 5.8859 5.8859 6.3196 6.3196 6.8286 6.8286 7.0098 7.0098 7.2247 7.2247 7.9978 7.9978 12.3140 12.3140 14.3692 14.3692 16.5779 16.5779 17.0675 17.0675 k = 0.2376-0.4308-0.8160 ( 2145 PWs) bands (ev): -9.2038 -9.2038 -9.0722 -9.0722 -4.8013 -4.8013 -4.5467 -4.5467 -3.9667 -3.9667 -3.8853 -3.8853 -3.3859 -3.3859 2.6510 2.6510 3.7333 3.7333 3.9714 3.9714 5.3885 5.3885 5.5285 5.5285 5.8699 5.8699 6.3261 6.3261 6.8071 6.8071 7.0230 7.0230 7.2052 7.2052 8.0610 8.0610 12.4021 12.4021 14.3936 14.3936 16.5464 16.5464 16.9748 16.9748 k = 0.2427-0.4401-0.8337 ( 2145 PWs) bands (ev): -9.1924 -9.1924 -9.0767 -9.0767 -4.7942 -4.7942 -4.5453 -4.5453 -3.9605 -3.9605 -3.8756 -3.8756 -3.3796 -3.3796 2.6630 2.6630 3.6912 3.6912 3.9590 3.9590 5.3735 5.3735 5.5056 5.5056 5.8562 5.8562 6.3316 6.3316 6.7857 6.7857 7.0337 7.0337 7.1884 7.1884 8.1219 8.1219 12.4923 12.4923 14.4201 14.4201 16.4856 16.4856 16.8818 16.8818 k = 0.2479-0.4495-0.8515 ( 2151 PWs) bands (ev): -9.1820 -9.1820 -9.0806 -9.0806 -4.7869 -4.7869 -4.5445 -4.5445 -3.9549 -3.9549 -3.8653 -3.8653 -3.3752 -3.3752 2.6758 2.6758 3.6506 3.6506 3.9502 3.9502 5.3573 5.3573 5.4817 5.4817 5.8447 5.8447 6.3358 6.3358 6.7645 6.7645 7.0406 7.0406 7.1756 7.1756 8.1803 8.1803 12.5849 12.5849 14.4486 14.4486 16.4026 16.4026 16.7895 16.7895 k = 0.2531-0.4589-0.8692 ( 2155 PWs) bands (ev): -9.1727 -9.1727 -9.0838 -9.0838 -4.7795 -4.7795 -4.5441 -4.5441 -3.9499 -3.9499 -3.8543 -3.8543 -3.3724 -3.3724 2.6895 2.6895 3.6116 3.6116 3.9449 3.9449 5.3395 5.3395 5.4572 5.4572 5.8354 5.8354 6.3390 6.3390 6.7435 6.7435 7.0420 7.0420 7.1687 7.1687 8.2360 8.2360 12.6800 12.6800 14.4791 14.4791 16.3042 16.3042 16.6988 16.6988 k = 0.2582-0.4682-0.8869 ( 2149 PWs) bands (ev): -9.1645 -9.1645 -9.0863 -9.0863 -4.7719 -4.7719 -4.5440 -4.5440 -3.9454 -3.9454 -3.8424 -3.8424 -3.3712 -3.3712 2.7039 2.7039 3.5743 3.5743 3.9432 3.9432 5.3195 5.3195 5.4330 5.4330 5.8284 5.8284 6.3409 6.3409 6.7229 6.7229 7.0372 7.0372 7.1685 7.1685 8.2889 8.2889 12.7778 12.7778 14.5116 14.5116 16.1959 16.1959 16.6103 16.6103 k = 0.2634-0.4776-0.9047 ( 2149 PWs) bands (ev): -9.1574 -9.1574 -9.0881 -9.0881 -4.7642 -4.7642 -4.5444 -4.5444 -3.9414 -3.9414 -3.8300 -3.8300 -3.3718 -3.3718 2.7190 2.7190 3.5390 3.5390 3.9448 3.9448 5.2968 5.2968 5.4099 5.4099 5.8234 5.8234 6.3416 6.3416 6.7025 6.7025 7.0268 7.0268 7.1743 7.1743 8.3387 8.3387 12.8782 12.8782 14.5460 14.5460 16.0811 16.0811 16.5246 16.5246 k = 0.2686-0.4870-0.9224 ( 2149 PWs) bands (ev): -9.1514 -9.1514 -9.0893 -9.0893 -4.7564 -4.7564 -4.5453 -4.5453 -3.9380 -3.9380 -3.8170 -3.8170 -3.3740 -3.3740 2.7347 2.7347 3.5058 3.5058 3.9499 3.9499 5.2708 5.2708 5.3884 5.3884 5.8201 5.8201 6.3408 6.3408 6.6826 6.6826 7.0127 7.0127 7.1844 7.1844 8.3853 8.3853 12.9815 12.9815 14.5822 14.5822 15.9622 15.9622 16.4420 16.4420 k = 0.2737-0.4963-0.9401 ( 2147 PWs) bands (ev): -9.1465 -9.1465 -9.0898 -9.0898 -4.7485 -4.7485 -4.5465 -4.5465 -3.9351 -3.9351 -3.8035 -3.8035 -3.3779 -3.3779 2.7506 2.7506 3.4749 3.4749 3.9582 3.9582 5.2416 5.2416 5.3690 5.3690 5.8185 5.8185 6.3387 6.3387 6.6630 6.6630 6.9964 6.9964 7.1972 7.1972 8.4288 8.4288 13.0875 13.0875 14.6200 14.6200 15.8407 15.8407 16.3630 16.3630 k = 0.2789-0.5057-0.9579 ( 2145 PWs) bands (ev): -9.1427 -9.1427 -9.0896 -9.0896 -4.7407 -4.7407 -4.5483 -4.5483 -3.9325 -3.9325 -3.7896 -3.7896 -3.3833 -3.3833 2.7665 2.7665 3.4468 3.4468 3.9698 3.9698 5.2095 5.2095 5.3515 5.3515 5.8182 5.8182 6.3352 6.3352 6.6440 6.6440 6.9790 6.9790 7.2118 7.2118 8.4690 8.4690 13.1962 13.1962 14.6591 14.6591 15.7176 15.7176 16.2881 16.2881 k = 0.2841-0.5150-0.9756 ( 2147 PWs) bands (ev): -9.1400 -9.1400 -9.0887 -9.0887 -4.7329 -4.7329 -4.5504 -4.5504 -3.9304 -3.9304 -3.7753 -3.7753 -3.3901 -3.3901 2.7822 2.7822 3.4217 3.4217 3.9843 3.9843 5.1750 5.1750 5.3359 5.3359 5.8191 5.8191 6.3303 6.3303 6.6253 6.6253 6.9610 6.9610 7.2277 7.2277 8.5060 8.5060 13.3075 13.3075 14.6992 14.6992 15.5937 15.5937 16.2177 16.2177 k = 0.2892-0.5244-0.9934 ( 2143 PWs) bands (ev): -9.1383 -9.1383 -9.0872 -9.0872 -4.7252 -4.7252 -4.5529 -4.5529 -3.9286 -3.9286 -3.7608 -3.7608 -3.3983 -3.3983 2.7971 2.7971 3.4001 3.4001 4.0018 4.0018 5.1386 5.1386 5.3216 5.3216 5.8208 5.8208 6.3240 6.3240 6.6073 6.6073 6.9428 6.9428 7.2445 7.2445 8.5401 8.5401 13.4210 13.4210 14.7399 14.7399 15.4695 15.4695 16.1524 16.1524 k = 0.2944-0.5338-1.0111 ( 2151 PWs) bands (ev): -9.1377 -9.1377 -9.0851 -9.0851 -4.7177 -4.7177 -4.5558 -4.5558 -3.9272 -3.9272 -3.7463 -3.7463 -3.4079 -3.4079 2.8107 2.8107 3.3826 3.3826 4.0219 4.0219 5.1010 5.1010 5.3084 5.3084 5.8233 5.8233 6.3162 6.3162 6.5898 6.5898 6.9247 6.9247 7.2620 7.2620 8.5710 8.5710 13.5366 13.5366 14.7806 14.7806 15.3455 15.3455 16.0930 16.0930 k = 0.2995-0.5431-1.0288 ( 2151 PWs) bands (ev): -9.1380 -9.1380 -9.0824 -9.0824 -4.7104 -4.7104 -4.5589 -4.5589 -3.9260 -3.9260 -3.7317 -3.7317 -3.4184 -3.4184 2.8226 2.8226 3.3696 3.3696 4.0445 4.0445 5.0626 5.0626 5.2962 5.2962 5.8262 5.8262 6.3071 6.3071 6.5732 6.5732 6.9066 6.9066 7.2802 7.2802 8.5990 8.5990 13.6537 13.6537 14.8206 14.8206 15.2219 15.2219 16.0404 16.0404 k = 0.3047-0.5525-1.0466 ( 2149 PWs) bands (ev): -9.1393 -9.1393 -9.0791 -9.0791 -4.7034 -4.7034 -4.5622 -4.5622 -3.9250 -3.9250 -3.7173 -3.7173 -3.4298 -3.4298 2.8320 2.8320 3.3618 3.3618 4.0693 4.0693 5.0239 5.0239 5.2847 5.2847 5.8295 5.8295 6.2968 6.2968 6.5573 6.5573 6.8888 6.8888 7.2990 7.2990 8.6243 8.6243 13.7718 13.7718 14.8589 14.8589 15.0991 15.0991 15.9960 15.9960 k = 0.3099-0.5619-1.0643 ( 2149 PWs) bands (ev): -9.1415 -9.1415 -9.0752 -9.0752 -4.6970 -4.6970 -4.5657 -4.5657 -3.9242 -3.9242 -3.7034 -3.7034 -3.4416 -3.4416 2.8386 2.8386 3.3596 3.3596 4.0960 4.0960 4.9853 4.9853 5.2740 5.2740 5.8327 5.8327 6.2852 6.2852 6.5424 6.5424 6.8712 6.8712 7.3185 7.3185 8.6470 8.6470 13.8902 13.8902 14.8940 14.8940 14.9775 14.9775 15.9612 15.9612 k = 0.3150-0.5712-1.0821 ( 2149 PWs) bands (ev): -9.1446 -9.1446 -9.0707 -9.0707 -4.6912 -4.6912 -4.5690 -4.5690 -3.9237 -3.9237 -3.6902 -3.6902 -3.4536 -3.4536 2.8420 2.8420 3.3635 3.3635 4.1241 4.1241 4.9472 4.9472 5.2638 5.2638 5.8357 5.8357 6.2725 6.2725 6.5286 6.5286 6.8539 6.8539 7.3385 7.3385 8.6673 8.6673 14.0078 14.0078 14.8571 14.8571 14.9251 14.9251 15.9381 15.9381 k = 0.3202-0.5806-1.0998 ( 2147 PWs) bands (ev): -9.1485 -9.1485 -9.0657 -9.0657 -4.6862 -4.6862 -4.5722 -4.5722 -3.9233 -3.9233 -3.6783 -3.6783 -3.4653 -3.4653 2.8421 2.8421 3.3733 3.3733 4.1532 4.1532 4.9102 4.9102 5.2543 5.2543 5.8381 5.8381 6.2587 6.2587 6.5160 6.5160 6.8369 6.8369 7.3592 7.3592 8.6853 8.6853 14.1231 14.1231 14.7393 14.7393 14.9497 14.9497 15.9288 15.9288 k = 0.3254-0.5900-1.1175 ( 2145 PWs) bands (ev): -9.1531 -9.1531 -9.0602 -9.0602 -4.6824 -4.6824 -4.5748 -4.5748 -3.9230 -3.9230 -3.6682 -3.6682 -3.4760 -3.4760 2.8389 2.8389 3.3891 3.3891 4.1825 4.1825 4.8749 4.8749 5.2452 5.2452 5.8398 5.8398 6.2441 6.2441 6.5048 6.5048 6.8202 6.8202 7.3804 7.3804 8.7012 8.7012 14.2331 14.2331 14.6257 14.6257 14.9671 14.9671 15.9351 15.9351 k = 0.3305-0.5993-1.1353 ( 2147 PWs) bands (ev): -9.1585 -9.1585 -9.0541 -9.0541 -4.6800 -4.6800 -4.5767 -4.5767 -3.9230 -3.9230 -3.6608 -3.6608 -3.4847 -3.4847 2.8329 2.8329 3.4103 3.4103 4.2113 4.2113 4.8421 4.8421 5.2367 5.2367 5.8404 5.8404 6.2286 6.2286 6.4952 6.4952 6.8036 6.8036 7.4024 7.4024 8.7153 8.7153 14.3261 14.3261 14.5268 14.5268 14.9766 14.9766 15.9589 15.9589 k = 0.3357-0.6087-1.1530 ( 2147 PWs) bands (ev): -9.1645 -9.1645 -9.0477 -9.0477 -4.6792 -4.6792 -4.5776 -4.5776 -3.9230 -3.9230 -3.6570 -3.6570 -3.4904 -3.4904 2.8244 2.8244 3.4365 3.4365 4.2384 4.2384 4.8129 4.8129 5.2286 5.2286 5.8398 5.8398 6.2126 6.2126 6.4873 6.4873 6.7874 6.7874 7.4249 7.4249 8.7277 8.7277 14.3338 14.3338 14.5094 14.5094 14.9789 14.9789 16.0006 16.0006 k = 0.3409-0.6181-1.1708 ( 2149 PWs) bands (ev): -9.1712 -9.1712 -9.0408 -9.0408 -4.6804 -4.6804 -4.5773 -4.5773 -3.9233 -3.9233 -3.6575 -3.6575 -3.4923 -3.4923 2.8140 2.8140 3.4671 3.4671 4.2624 4.2624 4.7885 4.7885 5.2211 5.2211 5.8376 5.8376 6.1960 6.1960 6.4812 6.4812 6.7713 6.7713 7.4482 7.4482 8.7385 8.7385 14.2441 14.2441 14.5825 14.5825 14.9766 14.9766 16.0602 16.0602 k = 0.6591-0.4893-1.0931 ( 2149 PWs) bands (ev): -9.1712 -9.1712 -9.0408 -9.0408 -4.6804 -4.6804 -4.5773 -4.5773 -3.9233 -3.9233 -3.6575 -3.6575 -3.4923 -3.4923 2.8140 2.8140 3.4671 3.4671 4.2624 4.2624 4.7885 4.7885 5.2211 5.2211 5.8376 5.8376 6.1960 6.1960 6.4812 6.4812 6.7713 6.7713 7.4482 7.4482 8.7385 8.7385 14.2441 14.2441 14.5825 14.5825 14.9766 14.9766 16.0602 16.0602 k = 0.6540-0.4694-1.0931 ( 2153 PWs) bands (ev): -9.1783 -9.1783 -9.0335 -9.0335 -4.6834 -4.6834 -4.5758 -4.5758 -3.9237 -3.9237 -3.6626 -3.6626 -3.4902 -3.4902 2.8022 2.8022 3.5014 3.5014 4.2816 4.2816 4.7706 4.7706 5.2141 5.2141 5.8337 5.8337 6.1791 6.1791 6.4770 6.4770 6.7556 6.7556 7.4719 7.4719 8.7479 8.7479 14.1385 14.1385 14.6602 14.6602 14.9749 14.9749 16.1363 16.1363 k = 0.6489-0.4494-1.0931 ( 2155 PWs) bands (ev): -9.1860 -9.1860 -9.0259 -9.0259 -4.6881 -4.6881 -4.5732 -4.5732 -3.9243 -3.9243 -3.6716 -3.6716 -3.4844 -3.4844 2.7894 2.7894 3.5388 3.5388 4.2943 4.2943 4.7608 4.7608 5.2077 5.2077 5.8280 5.8280 6.1619 6.1619 6.4748 6.4748 6.7401 6.7401 7.4964 7.4964 8.7560 8.7560 14.0309 14.0309 14.7197 14.7197 14.9838 14.9838 16.2278 16.2278 k = 0.6437-0.4295-1.0931 ( 2159 PWs) bands (ev): -9.1940 -9.1940 -9.0180 -9.0180 -4.6944 -4.6944 -4.5696 -4.5696 -3.9252 -3.9252 -3.6836 -3.6836 -3.4758 -3.4758 2.7760 2.7760 3.5791 3.5791 4.2992 4.2992 4.7601 4.7601 5.2018 5.2018 5.8204 5.8204 6.1445 6.1445 6.4745 6.4745 6.7249 6.7249 7.5216 7.5216 8.7631 8.7631 13.9241 13.9241 14.7482 14.7482 15.0144 15.0144 16.3333 16.3333 k = 0.6386-0.4096-1.0931 ( 2165 PWs) bands (ev): -9.2024 -9.2024 -9.0098 -9.0098 -4.7020 -4.7020 -4.5654 -4.5654 -3.9264 -3.9264 -3.6977 -3.6977 -3.4653 -3.4653 2.7621 2.7621 3.6218 3.6218 4.2958 4.2958 4.7690 4.7690 5.1965 5.1965 5.8109 5.8109 6.1270 6.1270 6.4760 6.4760 6.7102 6.7102 7.5474 7.5474 8.7692 8.7692 13.8187 13.8187 14.7466 14.7466 15.0663 15.0663 16.4512 16.4512 k = 0.6335-0.3896-1.0931 ( 2163 PWs) bands (ev): -9.2111 -9.2111 -9.0013 -9.0013 -4.7107 -4.7107 -4.5605 -4.5605 -3.9280 -3.9280 -3.7129 -3.7129 -3.4532 -3.4532 2.7481 2.7481 3.6665 3.6665 4.2848 4.2848 4.7866 4.7866 5.1918 5.1918 5.7998 5.7998 6.1094 6.1094 6.4791 6.4791 6.6959 6.6959 7.5739 7.5739 8.7745 8.7745 13.7152 13.7152 14.7263 14.7263 15.1291 15.1291 16.5799 16.5799 k = 0.6283-0.3697-1.0931 ( 2157 PWs) bands (ev): -9.2200 -9.2200 -8.9926 -8.9926 -4.7201 -4.7201 -4.5553 -4.5553 -3.9300 -3.9300 -3.7286 -3.7286 -3.4404 -3.4404 2.7341 2.7341 3.7129 3.7129 4.2675 4.2675 4.8114 4.8114 5.1879 5.1879 5.7870 5.7870 6.0920 6.0920 6.4835 6.4835 6.6824 6.6824 7.6010 7.6010 8.7790 8.7790 13.6137 13.6137 14.6960 14.6960 15.1946 15.1946 16.7177 16.7177 k = 0.6232-0.3498-1.0931 ( 2157 PWs) bands (ev): -9.2292 -9.2292 -8.9838 -8.9838 -4.7303 -4.7303 -4.5500 -4.5500 -3.9329 -3.9329 -3.7443 -3.7443 -3.4271 -3.4271 2.7203 2.7203 3.7606 3.7606 4.2456 4.2456 4.8416 4.8416 5.1848 5.1848 5.7727 5.7727 6.0745 6.0745 6.4885 6.4885 6.6699 6.6699 7.6288 7.6288 8.7829 8.7829 13.5146 13.5146 14.6603 14.6603 15.2592 15.2592 16.8624 16.8624 k = 0.6181-0.3298-1.0931 ( 2156 PWs) bands (ev): -9.2384 -9.2384 -8.9748 -8.9748 -4.7410 -4.7410 -4.5446 -4.5446 -3.9366 -3.9366 -3.7595 -3.7595 -3.4136 -3.4136 2.7067 2.7067 3.8094 3.8094 4.2204 4.2204 4.8754 4.8754 5.1827 5.1827 5.7572 5.7572 6.0571 6.0571 6.4935 6.4935 6.6591 6.6591 7.6571 7.6571 8.7862 8.7862 13.4180 13.4180 14.6214 14.6214 15.3214 15.3214 16.9995 16.9995 k = 0.6129-0.3099-1.0931 ( 2154 PWs) bands (ev): -9.2477 -9.2477 -8.9658 -8.9658 -4.7522 -4.7522 -4.5391 -4.5391 -3.9413 -3.9413 -3.7736 -3.7736 -3.4001 -3.4001 2.6935 2.6935 3.8589 3.8589 4.1933 4.1933 4.9114 4.9114 5.1818 5.1818 5.7408 5.7408 6.0398 6.0398 6.4974 6.4974 6.6507 6.6507 7.6859 7.6859 8.7889 8.7889 13.3239 13.3239 14.5808 14.5808 15.3807 15.3807 16.9627 16.9627 k = 0.6078-0.2899-1.0931 ( 2150 PWs) bands (ev): -9.2570 -9.2570 -8.9567 -8.9567 -4.7636 -4.7636 -4.5338 -4.5338 -3.9473 -3.9473 -3.7863 -3.7863 -3.3867 -3.3867 2.6807 2.6807 3.9088 3.9088 4.1650 4.1650 4.9483 4.9483 5.1825 5.1825 5.7236 5.7236 6.0226 6.0226 6.4992 6.4992 6.6457 6.6457 7.7152 7.7152 8.7913 8.7913 13.2326 13.2326 14.5391 14.5391 15.4367 15.4367 16.8618 16.8618 k = 0.6027-0.2700-1.0931 ( 2150 PWs) bands (ev): -9.2663 -9.2663 -8.9476 -8.9476 -4.7752 -4.7752 -4.5285 -4.5285 -3.9546 -3.9546 -3.7974 -3.7974 -3.3736 -3.3736 2.6684 2.6684 3.9585 3.9585 4.1365 4.1365 4.9848 4.9848 5.1854 5.1854 5.7059 5.7059 6.0056 6.0056 6.4977 6.4977 6.6448 6.6448 7.7448 7.7448 8.7932 8.7932 13.1442 13.1442 14.4970 14.4970 15.4896 15.4896 16.7589 16.7589 k = 0.5975-0.2501-1.0931 ( 2150 PWs) bands (ev): -9.2755 -9.2755 -8.9386 -8.9386 -4.7869 -4.7869 -4.5235 -4.5235 -3.9633 -3.9633 -3.8068 -3.8068 -3.3608 -3.3608 2.6566 2.6566 4.0072 4.0072 4.1089 4.1089 5.0194 5.0194 5.1913 5.1913 5.6879 5.6879 5.9887 5.9887 6.4924 6.4924 6.6482 6.6482 7.7747 7.7747 8.7948 8.7948 13.0588 13.0588 14.4548 14.4548 15.5393 15.5393 16.6570 16.6570 k = 0.5924-0.2301-1.0931 ( 2158 PWs) bands (ev): -9.2845 -9.2845 -8.9297 -8.9297 -4.7987 -4.7987 -4.5187 -4.5187 -3.9733 -3.9733 -3.8145 -3.8145 -3.3484 -3.3484 2.6453 2.6453 4.0477 4.0477 4.0894 4.0894 5.0505 5.0505 5.2013 5.2013 5.6699 5.6699 5.9721 5.9721 6.4836 6.4836 6.6556 6.6556 7.8047 7.8047 8.7961 8.7961 12.9766 12.9766 14.4129 14.4129 15.5859 15.5859 16.5567 16.5567 k = 0.5873-0.2102-1.0931 ( 2162 PWs) bands (ev): -9.2933 -9.2933 -8.9209 -8.9209 -4.8104 -4.8104 -4.5141 -4.5141 -3.9843 -3.9843 -3.8205 -3.8205 -3.3365 -3.3365 2.6346 2.6346 4.0422 4.0422 4.1157 4.1157 5.0767 5.0767 5.2167 5.2167 5.6522 5.6522 5.9556 5.9556 6.4719 6.4719 6.6661 6.6661 7.8348 7.8348 8.7971 8.7971 12.8976 12.8976 14.3716 14.3716 15.6295 15.6295 16.4587 16.4587 k = 0.5821-0.1903-1.0931 ( 2160 PWs) bands (ev): -9.3019 -9.3019 -8.9123 -8.9123 -4.8218 -4.8218 -4.5097 -4.5097 -3.9960 -3.9960 -3.8250 -3.8250 -3.3250 -3.3250 2.6245 2.6245 4.0176 4.0176 4.1609 4.1609 5.0974 5.0974 5.2379 5.2379 5.6349 5.6349 5.9394 5.9394 6.4582 6.4582 6.6789 6.6789 7.8647 7.8647 8.7979 8.7979 12.8222 12.8222 14.3312 14.3312 15.6703 15.6703 16.3634 16.3634 k = 0.5770-0.1703-1.0931 ( 2158 PWs) bands (ev): -9.3102 -9.3102 -8.9040 -8.9040 -4.8331 -4.8331 -4.5055 -4.5055 -4.0082 -4.0082 -3.8283 -3.8283 -3.3140 -3.3140 2.6150 2.6150 3.9920 3.9920 4.2068 4.2068 5.1132 5.1132 5.2638 5.2638 5.6183 5.6183 5.9234 5.9234 6.4429 6.4429 6.6931 6.6931 7.8944 7.8944 8.7985 8.7985 12.7503 12.7503 14.2918 14.2918 15.7081 15.7081 16.2713 16.2713 k = 0.5719-0.1504-1.0931 ( 2156 PWs) bands (ev): -9.3182 -9.3182 -8.8959 -8.8959 -4.8440 -4.8440 -4.5016 -4.5016 -4.0205 -4.0205 -3.8305 -3.8305 -3.3037 -3.3037 2.6061 2.6061 3.9671 3.9671 4.2513 4.2513 5.1258 5.1258 5.2926 5.2926 5.6026 5.6026 5.9076 5.9076 6.4265 6.4265 6.7082 6.7082 7.9236 7.9236 8.7989 8.7989 12.6822 12.6822 14.2538 14.2538 15.7432 15.7432 16.1827 16.1827 k = 0.5667-0.1304-1.0931 ( 2156 PWs) bands (ev): -9.3257 -9.3257 -8.8882 -8.8882 -4.8545 -4.8545 -4.4980 -4.4980 -4.0327 -4.0327 -3.8321 -3.8321 -3.2940 -3.2940 2.5978 2.5978 3.9434 3.9434 4.2940 4.2940 5.1367 5.1367 5.3224 5.3224 5.5881 5.5881 5.8920 5.8920 6.4095 6.4095 6.7237 6.7237 7.9521 7.9521 8.7991 8.7991 12.6180 12.6180 14.2173 14.2173 15.7755 15.7755 16.0982 16.0982 k = 0.5616-0.1105-1.0931 ( 2154 PWs) bands (ev): -9.3329 -9.3329 -8.8808 -8.8808 -4.8645 -4.8645 -4.4947 -4.4947 -4.0446 -4.0446 -3.8330 -3.8330 -3.2848 -3.2848 2.5901 2.5901 3.9209 3.9209 4.3343 4.3343 5.1472 5.1472 5.3517 5.3517 5.5752 5.5752 5.8766 5.8766 6.3921 6.3921 6.7391 6.7391 7.9799 7.9799 8.7993 8.7993 12.5578 12.5578 14.1825 14.1825 15.8049 15.8049 16.0182 16.0182 k = 0.5565-0.0906-1.0931 ( 2156 PWs) bands (ev): -9.3397 -9.3397 -8.8738 -8.8738 -4.8741 -4.8741 -4.4917 -4.4917 -4.0560 -4.0560 -3.8335 -3.8335 -3.2764 -3.2764 2.5830 2.5830 3.8999 3.8999 4.3719 4.3719 5.1579 5.1579 5.3792 5.3792 5.5644 5.5644 5.8614 5.8614 6.3745 6.3745 6.7543 6.7543 8.0065 8.0065 8.7993 8.7993 12.5018 12.5018 14.1496 14.1496 15.8309 15.8309 15.9438 15.9438 k = 0.5513-0.0706-1.0931 ( 2150 PWs) bands (ev): -9.3459 -9.3459 -8.8673 -8.8673 -4.8830 -4.8830 -4.4889 -4.4889 -4.0667 -4.0667 -3.8336 -3.8336 -3.2686 -3.2686 2.5765 2.5765 3.8805 3.8805 4.4065 4.4065 5.1691 5.1691 5.4036 5.4036 5.5568 5.5568 5.8464 5.8464 6.3572 6.3572 6.7689 6.7689 8.0318 8.0318 8.7993 8.7993 12.4501 12.4501 14.1189 14.1189 15.8463 15.8463 15.8826 15.8826 k = 0.5462-0.0507-1.0931 ( 2146 PWs) bands (ev): -9.3517 -9.3517 -8.8613 -8.8613 -4.8913 -4.8913 -4.4864 -4.4864 -4.0766 -4.0766 -3.8335 -3.8335 -3.2615 -3.2615 2.5707 2.5707 3.8627 3.8627 4.4380 4.4380 5.1810 5.1810 5.4231 5.4231 5.5537 5.5537 5.8315 5.8315 6.3402 6.3402 6.7827 6.7827 8.0556 8.0556 8.7992 8.7992 12.4029 12.4029 14.0905 14.0905 15.8016 15.8016 15.8844 15.8844 k = 0.5411-0.0308-1.0931 ( 2142 PWs) bands (ev): -9.3569 -9.3569 -8.8559 -8.8559 -4.8988 -4.8988 -4.4842 -4.4842 -4.0857 -4.0857 -3.8332 -3.8332 -3.2550 -3.2550 2.5655 2.5655 3.8466 3.8466 4.4660 4.4660 5.1936 5.1936 5.4360 5.4360 5.5566 5.5566 5.8166 5.8166 6.3239 6.3239 6.7956 6.7956 8.0776 8.0776 8.7991 8.7991 12.3602 12.3602 14.0646 14.0646 15.7440 15.7440 15.9024 15.9024 k = 0.5359-0.0108-1.0931 ( 2144 PWs) bands (ev): -9.3616 -9.3616 -8.8510 -8.8510 -4.9056 -4.9056 -4.4823 -4.4823 -4.0939 -4.0939 -3.8329 -3.8329 -3.2494 -3.2494 2.5609 2.5609 3.8322 3.8322 4.4905 4.4905 5.2068 5.2068 5.4419 5.4419 5.5661 5.5661 5.8017 5.8017 6.3084 6.3084 6.8074 6.8074 8.0977 8.0977 8.7989 8.7989 12.3222 12.3222 14.0413 14.0413 15.6914 15.6914 15.9192 15.9192 k = 0.5308 0.0091-1.0931 ( 2144 PWs) bands (ev): -9.3657 -9.3657 -8.8466 -8.8466 -4.9116 -4.9116 -4.4807 -4.4807 -4.1011 -4.1011 -3.8325 -3.8325 -3.2445 -3.2445 2.5569 2.5569 3.8197 3.8197 4.5114 4.5114 5.2201 5.2201 5.4422 5.4422 5.5805 5.5805 5.7868 5.7868 6.2942 6.2942 6.8179 6.8179 8.1156 8.1156 8.7987 8.7987 12.2891 12.2891 14.0208 14.0208 15.6448 15.6448 15.9339 15.9339 k = 0.5257 0.0291-1.0931 ( 2138 PWs) bands (ev): -9.3691 -9.3691 -8.8429 -8.8429 -4.9167 -4.9167 -4.4793 -4.4793 -4.1072 -4.1072 -3.8321 -3.8321 -3.2403 -3.2403 2.5536 2.5536 3.8090 3.8090 4.5290 4.5290 5.2332 5.2332 5.4391 5.4391 5.5978 5.5978 5.7717 5.7717 6.2816 6.2816 6.8270 6.8270 8.1312 8.1312 8.7985 8.7985 12.2608 12.2608 14.0033 14.0033 15.6049 15.6049 15.9464 15.9464 k = 0.5205 0.0490-1.0931 ( 2146 PWs) bands (ev): -9.3720 -9.3720 -8.8399 -8.8399 -4.9211 -4.9211 -4.4783 -4.4783 -4.1123 -4.1123 -3.8318 -3.8318 -3.2370 -3.2370 2.5508 2.5508 3.8003 3.8003 4.5431 4.5431 5.2453 5.2453 5.4346 5.4346 5.6162 5.6162 5.7565 5.7565 6.2707 6.2707 6.8346 6.8346 8.1440 8.1440 8.7983 8.7983 12.2376 12.2376 13.9887 13.9887 15.5718 15.5718 15.9566 15.9566 k = 0.5154 0.0689-1.0931 ( 2144 PWs) bands (ev): -9.3743 -9.3743 -8.8375 -8.8375 -4.9244 -4.9244 -4.4774 -4.4774 -4.1163 -4.1163 -3.8315 -3.8315 -3.2343 -3.2343 2.5487 2.5487 3.7934 3.7934 4.5539 4.5539 5.2560 5.2560 5.4298 5.4298 5.6348 5.6348 5.7410 5.7410 6.2619 6.2619 6.8406 6.8406 8.1543 8.1543 8.7982 8.7982 12.2195 12.2195 13.9773 13.9773 15.5459 15.5459 15.9645 15.9645 k = 0.5103 0.0889-1.0931 ( 2148 PWs) bands (ev): -9.3759 -9.3759 -8.8357 -8.8357 -4.9268 -4.9268 -4.4768 -4.4768 -4.1192 -4.1192 -3.8313 -3.8313 -3.2324 -3.2324 2.5471 2.5471 3.7885 3.7885 4.5615 4.5615 5.2645 5.2645 5.4257 5.4257 5.6529 5.6529 5.7254 5.7254 6.2554 6.2554 6.8448 6.8448 8.1617 8.1617 8.7981 8.7981 12.2065 12.2065 13.9691 13.9691 15.5272 15.5272 15.9702 15.9702 k = 0.5051 0.1088-1.0931 ( 2144 PWs) bands (ev): -9.3769 -9.3769 -8.8347 -8.8347 -4.9282 -4.9282 -4.4764 -4.4764 -4.1208 -4.1208 -3.8311 -3.8311 -3.2312 -3.2312 2.5462 2.5462 3.7856 3.7856 4.5660 4.5660 5.2700 5.2700 5.4228 5.4228 5.6697 5.6697 5.7102 5.7102 6.2515 6.2515 6.8475 6.8475 8.1661 8.1661 8.7980 8.7980 12.1986 12.1986 13.9642 13.9642 15.5160 15.5160 15.9736 15.9736 k = 0.5000 0.1287-1.0931 ( 2142 PWs) bands (ev): -9.3772 -9.3772 -8.8343 -8.8343 -4.9287 -4.9287 -4.4763 -4.4763 -4.1214 -4.1214 -3.8311 -3.8311 -3.2308 -3.2308 2.5459 2.5459 3.7846 3.7846 4.5676 4.5676 5.2719 5.2719 5.4218 5.4218 5.6797 5.6797 5.7007 5.7007 6.2502 6.2502 6.8484 6.8484 8.1676 8.1676 8.7980 8.7980 12.1960 12.1960 13.9625 13.9625 15.5122 15.5122 15.9747 15.9747 k = 0.5000 0.1287-1.0931 ( 2142 PWs) bands (ev): -9.3772 -9.3772 -8.8343 -8.8343 -4.9287 -4.9287 -4.4763 -4.4763 -4.1214 -4.1214 -3.8311 -3.8311 -3.2308 -3.2308 2.5459 2.5459 3.7846 3.7846 4.5676 4.5676 5.2719 5.2719 5.4218 5.4218 5.6797 5.6797 5.7007 5.7007 6.2502 6.2502 6.8484 6.8484 8.1676 8.1676 8.7980 8.7980 12.1960 12.1960 13.9625 13.9625 15.5122 15.5122 15.9747 15.9747 k = 0.5177 0.1333-1.0845 ( 2142 PWs) bands (ev): -9.3769 -9.3769 -8.8348 -8.8348 -4.9287 -4.9287 -4.4763 -4.4763 -4.1214 -4.1214 -3.8311 -3.8311 -3.2307 -3.2307 2.5470 2.5470 3.7794 3.7794 4.5719 4.5719 5.2708 5.2708 5.4149 5.4149 5.6805 5.6805 5.7012 5.7012 6.2598 6.2598 6.8485 6.8485 8.1660 8.1660 8.7970 8.7970 12.1936 12.1936 13.9646 13.9646 15.4929 15.4929 15.9957 15.9957 k = 0.5354 0.1378-1.0759 ( 2148 PWs) bands (ev): -9.3759 -9.3759 -8.8362 -8.8362 -4.9287 -4.9287 -4.4763 -4.4763 -4.1214 -4.1214 -3.8312 -3.8312 -3.2303 -3.2303 2.5504 2.5504 3.7643 3.7643 4.5844 4.5844 5.2671 5.2671 5.3971 5.3971 5.6630 5.6630 5.7221 5.7221 6.2869 6.2869 6.8488 6.8488 8.1611 8.1611 8.7941 8.7941 12.1865 12.1865 13.9708 13.9708 15.4429 15.4429 16.0507 16.0507 k = 0.5530 0.1424-1.0673 ( 2153 PWs) bands (ev): -9.3743 -9.3743 -8.8384 -8.8384 -4.9287 -4.9287 -4.4762 -4.4762 -4.1213 -4.1213 -3.8313 -3.8313 -3.2297 -3.2297 2.5561 2.5561 3.7406 3.7406 4.6032 4.6032 5.2598 5.2598 5.3743 5.3743 5.6326 5.6326 5.7576 5.7576 6.3270 6.3270 6.8494 6.8494 8.1530 8.1530 8.7892 8.7892 12.1749 12.1749 13.9809 13.9809 15.3757 15.3757 16.1262 16.1262 k = 0.5707 0.1469-1.0586 ( 2153 PWs) bands (ev): -9.3721 -9.3721 -8.8415 -8.8415 -4.9285 -4.9285 -4.4761 -4.4761 -4.1212 -4.1212 -3.8314 -3.8314 -3.2287 -3.2287 2.5640 2.5640 3.7098 3.7098 4.6258 4.6258 5.2474 5.2474 5.3519 5.3519 5.5979 5.5979 5.8008 5.8008 6.3757 6.3757 6.8504 6.8504 8.1418 8.1418 8.7825 8.7825 12.1592 12.1592 13.9948 13.9948 15.3003 15.3003 16.2133 16.2133 k = 0.5884 0.1515-1.0500 ( 2155 PWs) bands (ev): -9.3692 -9.3692 -8.8455 -8.8455 -4.9284 -4.9284 -4.4760 -4.4760 -4.1211 -4.1211 -3.8315 -3.8315 -3.2274 -3.2274 2.5740 2.5740 3.6736 3.6736 4.6491 4.6491 5.2286 5.2286 5.3339 5.3339 5.5643 5.5643 5.8488 5.8488 6.4293 6.4293 6.8518 6.8518 8.1273 8.1273 8.7739 8.7739 12.1398 12.1398 14.0120 14.0120 15.2212 15.2212 16.3072 16.3072 k = 0.6061 0.1561-1.0414 ( 2155 PWs) bands (ev): -9.3657 -9.3657 -8.8503 -8.8503 -4.9282 -4.9282 -4.4758 -4.4758 -4.1209 -4.1209 -3.8317 -3.8317 -3.2260 -3.2260 2.5863 2.5863 3.6335 3.6335 4.6698 4.6698 5.2036 5.2036 5.3213 5.3213 5.5359 5.5359 5.9000 5.9000 6.4849 6.4849 6.8539 6.8539 8.1098 8.1098 8.7635 8.7635 12.1171 12.1171 14.0322 14.0322 15.1409 15.1409 16.4055 16.4055 k = 0.6238 0.1606-1.0328 ( 2157 PWs) bands (ev): -9.3617 -9.3617 -8.8558 -8.8558 -4.9280 -4.9280 -4.4756 -4.4756 -4.1208 -4.1208 -3.8319 -3.8319 -3.2244 -3.2244 2.6005 2.6005 3.5908 3.5908 4.6844 4.6844 5.1747 5.1747 5.3132 5.3132 5.5161 5.5161 5.9537 5.9537 6.5403 6.5403 6.8570 6.8570 8.0892 8.0892 8.7514 8.7514 12.0919 12.0919 14.0550 14.0550 15.0608 15.0608 16.5066 16.5066 k = 0.6415 0.1652-1.0241 ( 2157 PWs) bands (ev): -9.3572 -9.3572 -8.8621 -8.8621 -4.9278 -4.9278 -4.4754 -4.4754 -4.1206 -4.1206 -3.8321 -3.8321 -3.2225 -3.2225 2.6168 2.6168 3.5465 3.5465 4.6901 4.6901 5.1440 5.1440 5.3085 5.3085 5.5076 5.5076 6.0092 6.0092 6.5936 6.5936 6.8617 6.8617 8.0657 8.0657 8.7376 8.7376 12.0648 12.0648 14.0798 14.0798 14.9816 14.9816 16.6098 16.6098 k = 0.6591 0.1697-1.0155 ( 2157 PWs) bands (ev): -9.3521 -9.3521 -8.8690 -8.8690 -4.9276 -4.9276 -4.4752 -4.4752 -4.1204 -4.1204 -3.8324 -3.8324 -3.2206 -3.2206 2.6349 2.6349 3.5014 3.5014 4.6850 4.6850 5.1132 5.1132 5.3065 5.3065 5.5117 5.5117 6.0662 6.0662 6.6430 6.6430 6.8686 6.8686 8.0394 8.0394 8.7221 8.7221 12.0363 12.0363 14.1062 14.1062 14.9041 14.9041 16.7143 16.7143 k = 0.6591 0.1697-1.0155 ( 2157 PWs) bands (ev): -9.3521 -9.3521 -8.8690 -8.8690 -4.9276 -4.9276 -4.4752 -4.4752 -4.1204 -4.1204 -3.8324 -3.8324 -3.2206 -3.2206 2.6349 2.6349 3.5014 3.5014 4.6850 4.6850 5.1132 5.1132 5.3065 5.3065 5.5117 5.5117 6.0662 6.0662 6.6430 6.6430 6.8686 6.8686 8.0394 8.0394 8.7221 8.7221 12.0363 12.0363 14.1062 14.1062 14.9041 14.9041 16.7143 16.7143 k = 0.6561 0.1689-0.9949 ( 2157 PWs) bands (ev): -9.3497 -9.3497 -8.8741 -8.8741 -4.9272 -4.9272 -4.4763 -4.4763 -4.1209 -4.1209 -3.8337 -3.8337 -3.2272 -3.2272 2.6481 2.6481 3.5226 3.5226 4.6744 4.6744 5.1131 5.1131 5.3061 5.3061 5.4900 5.4900 6.0748 6.0748 6.6543 6.6543 6.8681 6.8681 8.0363 8.0363 8.7117 8.7117 12.0034 12.0034 14.1421 14.1421 14.9257 14.9257 16.7315 16.7315 k = 0.6531 0.1682-0.9743 ( 2155 PWs) bands (ev): -9.3470 -9.3470 -8.8805 -8.8805 -4.9267 -4.9267 -4.4777 -4.4777 -4.1216 -4.1216 -3.8355 -3.8355 -3.2355 -3.2355 2.6630 2.6630 3.5467 3.5467 4.6649 4.6649 5.1141 5.1141 5.3055 5.3055 5.4702 5.4702 6.0841 6.0841 6.6651 6.6651 6.8672 6.8672 8.0330 8.0330 8.6923 8.6923 11.9741 11.9741 14.1655 14.1655 14.9652 14.9652 16.7519 16.7519 k = 0.6501 0.1674-0.9536 ( 2148 PWs) bands (ev): -9.3439 -9.3439 -8.8879 -8.8879 -4.9261 -4.9261 -4.4793 -4.4793 -4.1224 -4.1224 -3.8376 -3.8376 -3.2455 -3.2455 2.6797 2.6797 3.5734 3.5734 4.6565 4.6565 5.1162 5.1162 5.3044 5.3044 5.4527 5.4527 6.0942 6.0942 6.6750 6.6750 6.8662 6.8662 8.0296 8.0296 8.6641 8.6641 11.9487 11.9487 14.1752 14.1752 15.0228 15.0228 16.7758 16.7758 k = 0.6471 0.1666-0.9330 ( 2148 PWs) bands (ev): -9.3405 -9.3405 -8.8964 -8.8964 -4.9254 -4.9254 -4.4815 -4.4815 -4.1234 -4.1234 -3.8402 -3.8402 -3.2572 -3.2572 2.6982 2.6982 3.6026 3.6026 4.6492 4.6492 5.1194 5.1194 5.3021 5.3021 5.4381 5.4381 6.1051 6.1051 6.6836 6.6836 6.8656 6.8656 8.0259 8.0259 8.6275 8.6275 11.9276 11.9276 14.1717 14.1717 15.0970 15.0970 16.8035 16.8035 k = 0.6441 0.1658-0.9124 ( 2150 PWs) bands (ev): -9.3369 -9.3369 -8.9060 -8.9060 -4.9246 -4.9246 -4.4841 -4.4841 -4.1245 -4.1245 -3.8433 -3.8433 -3.2705 -3.2705 2.7185 2.7185 3.6341 3.6341 4.6431 4.6431 5.1237 5.1237 5.2983 5.2983 5.4270 5.4270 6.1168 6.1168 6.6903 6.6903 6.8659 6.8659 8.0220 8.0220 8.5829 8.5829 11.9109 11.9109 14.1566 14.1566 15.1849 15.1849 16.8353 16.8353 k = 0.6411 0.1651-0.8918 ( 2151 PWs) bands (ev): -9.3331 -9.3331 -8.9164 -8.9164 -4.9239 -4.9239 -4.4871 -4.4871 -4.1258 -4.1258 -3.8467 -3.8467 -3.2853 -3.2853 2.7405 2.7405 3.6676 3.6676 4.6382 4.6382 5.1288 5.1288 5.2925 5.2925 5.4198 5.4198 6.1293 6.1293 6.6948 6.6948 6.8677 6.8677 8.0179 8.0179 8.5310 8.5310 11.8984 11.8984 14.1320 14.1320 15.2834 15.2834 16.8718 16.8718 k = 0.6381 0.1643-0.8711 ( 2145 PWs) bands (ev): -9.3292 -9.3292 -8.9276 -8.9276 -4.9230 -4.9230 -4.4904 -4.4904 -4.1270 -4.1270 -3.8504 -3.8504 -3.3014 -3.3014 2.7642 2.7642 3.7028 3.7028 4.6345 4.6345 5.1349 5.1349 5.2849 5.2849 5.4167 5.4167 6.1427 6.1427 6.6965 6.6965 6.8713 6.8713 8.0135 8.0135 8.4727 8.4727 11.8900 11.8900 14.0995 14.0995 15.3895 15.3895 16.9135 16.9135 k = 0.6351 0.1635-0.8505 ( 2145 PWs) bands (ev): -9.3252 -9.3252 -8.9395 -8.9395 -4.9222 -4.9222 -4.4944 -4.4944 -4.1284 -4.1284 -3.8545 -3.8545 -3.3190 -3.3190 2.7897 2.7897 3.7395 3.7395 4.6322 4.6322 5.1417 5.1417 5.2759 5.2759 5.4171 5.4171 6.1568 6.1568 6.6952 6.6952 6.8771 6.8771 8.0087 8.0087 8.4087 8.4087 11.8853 11.8853 14.0605 14.0605 15.5005 15.5005 16.9609 16.9609 k = 0.6321 0.1628-0.8299 ( 2148 PWs) bands (ev): -9.3214 -9.3214 -8.9518 -8.9518 -4.9213 -4.9213 -4.4989 -4.4989 -4.1297 -4.1297 -3.8590 -3.8590 -3.3377 -3.3377 2.8168 2.8168 3.7772 3.7772 4.6312 4.6312 5.1493 5.1493 5.2663 5.2663 5.4204 5.4204 6.1719 6.1719 6.6910 6.6910 6.8851 6.8851 8.0035 8.0035 8.3398 8.3398 11.8839 11.8839 14.0159 14.0159 15.6140 15.6140 17.0147 17.0147 k = 0.6291 0.1620-0.8093 ( 2142 PWs) bands (ev): -9.3178 -9.3178 -8.9644 -8.9644 -4.9204 -4.9204 -4.5039 -4.5039 -4.1309 -4.1309 -3.8636 -3.8636 -3.3576 -3.3576 2.8455 2.8455 3.8156 3.8156 4.6319 4.6319 5.1574 5.1574 5.2568 5.2568 5.4262 5.4262 6.1878 6.1878 6.6840 6.6840 6.8951 6.8951 7.9977 7.9977 8.2672 8.2672 11.8855 11.8855 13.9663 13.9663 15.7279 15.7279 17.0754 17.0754 k = 0.6261 0.1612-0.7886 ( 2142 PWs) bands (ev): -9.3147 -9.3147 -8.9770 -8.9770 -4.9196 -4.9196 -4.5095 -4.5095 -4.1322 -4.1322 -3.8686 -3.8686 -3.3786 -3.3786 2.8757 2.8757 3.8542 3.8542 4.6342 4.6342 5.1660 5.1660 5.2481 5.2481 5.4339 5.4339 6.2045 6.2045 6.6746 6.6746 6.9067 6.9067 7.9906 7.9906 8.1921 8.1921 11.8895 11.8895 13.9122 13.9122 15.8401 15.8401 17.1433 17.1433 k = 0.6231 0.1604-0.7680 ( 2144 PWs) bands (ev): -9.3123 -9.3123 -8.9894 -8.9894 -4.9188 -4.9188 -4.5157 -4.5157 -4.1333 -4.1333 -3.8739 -3.8739 -3.4005 -3.4005 2.9073 2.9073 3.8925 3.8925 4.6383 4.6383 5.1749 5.1749 5.2409 5.2409 5.4431 5.4431 6.2220 6.2220 6.6633 6.6633 6.9196 6.9196 7.9808 7.9808 8.1169 8.1169 11.8956 11.8956 13.8539 13.8539 15.9487 15.9487 17.2180 17.2180 k = 0.6201 0.1597-0.7474 ( 2144 PWs) bands (ev): -9.3108 -9.3108 -9.0011 -9.0011 -4.9181 -4.9181 -4.5225 -4.5225 -4.1344 -4.1344 -3.8793 -3.8793 -3.4232 -3.4232 2.9403 2.9403 3.9301 3.9301 4.6444 4.6444 5.1837 5.1837 5.2359 5.2359 5.4536 5.4536 6.2403 6.2403 6.6503 6.6503 6.9336 6.9336 7.9616 7.9616 8.0490 8.0490 11.9035 11.9035 13.7916 13.7916 16.0522 16.0522 17.2985 17.2985 k = 0.6171 0.1589-0.7268 ( 2142 PWs) bands (ev): -9.3106 -9.3106 -9.0119 -9.0119 -4.9174 -4.9174 -4.5299 -4.5299 -4.1354 -4.1354 -3.8849 -3.8849 -3.4466 -3.4466 2.9745 2.9745 3.9664 3.9664 4.6525 4.6525 5.1921 5.1921 5.2336 5.2336 5.4652 5.4652 6.2592 6.2592 6.6362 6.6362 6.9481 6.9481 7.9147 7.9147 8.0075 8.0075 11.9127 11.9127 13.7254 13.7254 16.1493 16.1493 17.3821 17.3821 k = 0.6141 0.1581-0.7061 ( 2144 PWs) bands (ev): -9.3121 -9.3121 -9.0213 -9.0213 -4.9169 -4.9169 -4.5379 -4.5379 -4.1363 -4.1363 -3.8907 -3.8907 -3.4707 -3.4707 3.0098 3.0098 4.0008 4.0008 4.6629 4.6629 5.1996 5.1996 5.2349 5.2349 5.4778 5.4778 6.2788 6.2788 6.6212 6.6212 6.9629 6.9629 7.8429 7.8429 7.9903 7.9903 11.9230 11.9230 13.6556 13.6556 16.2388 16.2388 17.4641 17.4641 k = 0.6111 0.1573-0.6855 ( 2143 PWs) bands (ev): -9.3154 -9.3154 -9.0290 -9.0290 -4.9164 -4.9164 -4.5466 -4.5466 -4.1371 -4.1371 -3.8966 -3.8966 -3.4951 -3.4951 3.0461 3.0461 4.0329 4.0329 4.6755 4.6755 5.2063 5.2063 5.2400 5.2400 5.4914 5.4914 6.2987 6.2987 6.6057 6.6057 6.9776 6.9776 7.7641 7.7641 7.9803 7.9803 11.9340 11.9340 13.5823 13.5823 16.3200 16.3200 17.5371 17.5371 k = 0.6081 0.1566-0.6649 ( 2145 PWs) bands (ev): -9.3209 -9.3209 -9.0347 -9.0347 -4.9161 -4.9161 -4.5559 -4.5559 -4.1377 -4.1377 -3.9026 -3.9026 -3.5200 -3.5200 3.0832 3.0832 4.0622 4.0622 4.6902 4.6902 5.2130 5.2130 5.2482 5.2482 5.5057 5.5057 6.3187 6.3187 6.5902 6.5902 6.9918 6.9918 7.6844 7.6844 7.9723 7.9723 11.9456 11.9456 13.5056 13.5056 16.3921 16.3921 17.5919 17.5919 k = 0.6051 0.1558-0.6443 ( 2139 PWs) bands (ev): -9.3287 -9.3287 -9.0381 -9.0381 -4.9159 -4.9159 -4.5657 -4.5657 -4.1383 -4.1383 -3.9086 -3.9086 -3.5450 -3.5450 3.1210 3.1210 4.0885 4.0885 4.7070 4.7070 5.2208 5.2208 5.2587 5.2587 5.5208 5.5208 6.3384 6.3384 6.5755 6.5755 7.0049 7.0049 7.6062 7.6062 7.9649 7.9649 11.9575 11.9575 13.4256 13.4256 16.4544 16.4544 17.6226 17.6226 k = 0.6021 0.1550-0.6236 ( 2141 PWs) bands (ev): -9.3388 -9.3388 -9.0392 -9.0392 -4.9158 -4.9158 -4.5761 -4.5761 -4.1388 -4.1388 -3.9147 -3.9147 -3.5703 -3.5703 3.1593 3.1593 4.1115 4.1115 4.7255 4.7255 5.2305 5.2305 5.2709 5.2709 5.5366 5.5366 6.3569 6.3569 6.5623 6.5623 7.0160 7.0160 7.5312 7.5312 7.9578 7.9578 11.9695 11.9695 13.3427 13.3427 16.5056 16.5056 17.6307 17.6307 k = 0.5991 0.1542-0.6030 ( 2139 PWs) bands (ev): -9.3512 -9.3512 -9.0381 -9.0381 -4.9160 -4.9160 -4.5871 -4.5871 -4.1393 -4.1393 -3.9208 -3.9208 -3.5954 -3.5954 3.1980 3.1980 4.1312 4.1312 4.7455 4.7455 5.2421 5.2421 5.2847 5.2847 5.5531 5.5531 6.3729 6.3729 6.5521 6.5521 7.0238 7.0238 7.4613 7.4613 7.9506 7.9506 11.9815 11.9815 13.2568 13.2568 16.5441 16.5441 17.6246 17.6246 k = 0.5961 0.1535-0.5824 ( 2139 PWs) bands (ev): -9.3656 -9.3656 -9.0349 -9.0349 -4.9163 -4.9163 -4.5986 -4.5986 -4.1399 -4.1399 -3.9269 -3.9269 -3.6205 -3.6205 3.2368 3.2368 4.1477 4.1477 4.7665 4.7665 5.2552 5.2552 5.3003 5.3003 5.5703 5.5703 6.3846 6.3846 6.5468 6.5468 7.0262 7.0262 7.3993 7.3993 7.9434 7.9434 11.9934 11.9934 13.1683 13.1683 16.5680 16.5680 17.6139 17.6139 k = 0.5931 0.1527-0.5618 ( 2146 PWs) bands (ev): -9.3817 -9.3817 -9.0298 -9.0298 -4.9170 -4.9170 -4.6106 -4.6106 -4.1406 -4.1406 -3.9329 -3.9329 -3.6453 -3.6453 3.2756 3.2756 4.1612 4.1612 4.7882 4.7882 5.2690 5.2690 5.3183 5.3183 5.5882 5.5882 6.3898 6.3898 6.5487 6.5487 7.0203 7.0203 7.3485 7.3485 7.9360 7.9360 12.0049 12.0049 13.0773 13.0773 16.5754 16.5754 17.6068 17.6068 k = 0.5901 0.1519-0.5411 ( 2144 PWs) bands (ev): -9.3993 -9.3993 -9.0231 -9.0231 -4.9177 -4.9177 -4.6229 -4.6229 -4.1413 -4.1413 -3.9388 -3.9388 -3.6697 -3.6697 3.3141 3.3141 4.1718 4.1718 4.8105 4.8105 5.2827 5.2827 5.3389 5.3389 5.6068 5.6068 6.3880 6.3880 6.5584 6.5584 7.0031 7.0031 7.3125 7.3125 7.9285 7.9285 12.0161 12.0161 12.9841 12.9841 16.5653 16.5653 17.6087 17.6087 k = 0.5871 0.1512-0.5205 ( 2148 PWs) bands (ev): -9.4180 -9.4180 -9.0151 -9.0151 -4.9187 -4.9187 -4.6357 -4.6357 -4.1423 -4.1423 -3.9446 -3.9446 -3.6936 -3.6936 3.3522 3.3522 4.1799 4.1799 4.8331 4.8331 5.2957 5.2957 5.3621 5.3621 5.6262 5.6262 6.3802 6.3802 6.5748 6.5748 6.9741 6.9741 7.2922 7.2922 7.9208 7.9208 12.0268 12.0268 12.8889 12.8889 16.5377 16.5377 17.6220 17.6220 k = 0.5841 0.1504-0.4999 ( 2138 PWs) bands (ev): -9.4376 -9.4376 -9.0059 -9.0059 -4.9199 -4.9199 -4.6486 -4.6486 -4.1435 -4.1435 -3.9501 -3.9501 -3.7167 -3.7167 3.3897 3.3897 4.1859 4.1859 4.8560 4.8560 5.3078 5.3078 5.3871 5.3871 5.6463 5.6463 6.3686 6.3686 6.5961 6.5961 6.9364 6.9364 7.2855 7.2855 7.9129 7.9129 12.0370 12.0370 12.7920 12.7920 16.4944 16.4944 17.6470 17.6470 k = 0.5811 0.1496-0.4793 ( 2138 PWs) bands (ev): -9.4578 -9.4578 -8.9958 -8.9958 -4.9214 -4.9214 -4.6619 -4.6619 -4.1451 -4.1451 -3.9555 -3.9555 -3.7392 -3.7392 3.4263 3.4263 4.1899 4.1899 4.8793 4.8793 5.3190 5.3190 5.4129 5.4129 5.6670 5.6670 6.3547 6.3547 6.6204 6.6204 6.8946 6.8946 7.2883 7.2883 7.9048 7.9048 12.0465 12.0465 12.6936 12.6936 16.4377 16.4377 17.6822 17.6822 k = 0.5781 0.1488-0.4586 ( 2136 PWs) bands (ev): -9.4784 -9.4784 -8.9849 -8.9849 -4.9232 -4.9232 -4.6753 -4.6753 -4.1471 -4.1471 -3.9606 -3.9606 -3.7607 -3.7607 3.4619 3.4619 4.1922 4.1922 4.9030 4.9030 5.3294 5.3294 5.4383 5.4383 5.6878 5.6878 6.3399 6.3399 6.6464 6.6464 6.8532 6.8532 7.2973 7.2973 7.8964 7.8964 12.0554 12.0554 12.5941 12.5941 16.3704 16.3704 17.7256 17.7256 k = 0.5751 0.1481-0.4380 ( 2141 PWs) bands (ev): -9.4993 -9.4993 -8.9735 -8.9735 -4.9254 -4.9254 -4.6888 -4.6888 -4.1497 -4.1497 -3.9654 -3.9654 -3.7814 -3.7814 3.4963 3.4963 4.1931 4.1931 4.9274 4.9274 5.3390 5.3390 5.4623 5.4623 5.7085 5.7085 6.3251 6.3251 6.6726 6.6726 6.8159 6.8159 7.3101 7.3101 7.8878 7.8878 12.0634 12.0634 12.4939 12.4939 16.2951 16.2951 17.7748 17.7748 k = 0.5721 0.1473-0.4174 ( 2143 PWs) bands (ev): -9.5203 -9.5203 -8.9617 -8.9617 -4.9278 -4.9278 -4.7024 -4.7024 -4.1528 -4.1528 -3.9699 -3.9699 -3.8010 -3.8010 3.5293 3.5293 4.1927 4.1927 4.9526 4.9526 5.3478 5.3478 5.4842 5.4842 5.7283 5.7283 6.3109 6.3109 6.6958 6.6958 6.7878 6.7878 7.3253 7.3253 7.8789 7.8789 12.0704 12.0704 12.3935 12.3935 16.2141 16.2141 17.8277 17.8277 k = 0.5691 0.1465-0.3968 ( 2143 PWs) bands (ev): -9.5412 -9.5412 -8.9495 -8.9495 -4.9305 -4.9305 -4.7159 -4.7159 -4.1566 -4.1566 -3.9741 -3.9741 -3.8193 -3.8193 3.5609 3.5609 4.1913 4.1913 4.9786 4.9786 5.3558 5.3558 5.5034 5.5034 5.7464 5.7464 6.2977 6.2977 6.7076 6.7076 6.7784 6.7784 7.3421 7.3421 7.8698 7.8698 12.0757 12.0757 12.2937 12.2937 16.1291 16.1291 17.8823 17.8823 k = 0.5661 0.1457-0.3761 ( 2145 PWs) bands (ev): -9.5619 -9.5619 -8.9371 -8.9371 -4.9335 -4.9335 -4.7293 -4.7293 -4.1610 -4.1610 -3.9778 -3.9778 -3.8365 -3.8365 3.5908 3.5908 4.1891 4.1891 5.0054 5.0054 5.3630 5.3630 5.5195 5.5195 5.7621 5.7621 6.2858 6.2858 6.7040 6.7040 6.7931 6.7931 7.3600 7.3600 7.8604 7.8604 12.0764 12.0764 12.1978 12.1978 16.0417 16.0417 17.9369 17.9369 k = 0.5631 0.1450-0.3555 ( 2143 PWs) bands (ev): -9.5824 -9.5824 -8.9246 -8.9246 -4.9369 -4.9369 -4.7423 -4.7423 -4.1661 -4.1661 -3.9811 -3.9811 -3.8524 -3.8524 3.6190 3.6190 4.1862 4.1862 5.0330 5.0330 5.3693 5.3693 5.5322 5.5322 5.7747 5.7747 6.2750 6.2750 6.6982 6.6982 6.8194 6.8194 7.3784 7.3784 7.8508 7.8508 12.0518 12.0518 12.1269 12.1269 15.9529 15.9529 17.9901 17.9901 k = 0.5601 0.1442-0.3349 ( 2142 PWs) bands (ev): -9.6024 -9.6024 -8.9121 -8.9121 -4.9407 -4.9407 -4.7551 -4.7551 -4.1719 -4.1719 -3.9839 -3.9839 -3.8669 -3.8669 3.6456 3.6456 4.1826 4.1826 5.0614 5.0614 5.3746 5.3746 5.5414 5.5414 5.7842 5.7842 6.2653 6.2653 6.6984 6.6984 6.8494 6.8494 7.3972 7.3972 7.8409 7.8409 11.9716 11.9716 12.1116 12.1116 15.8637 15.8637 18.0406 18.0406 k = 0.5570 0.1434-0.3143 ( 2142 PWs) bands (ev): -9.6219 -9.6219 -8.8996 -8.8996 -4.9448 -4.9448 -4.7675 -4.7675 -4.1784 -4.1784 -3.9864 -3.9864 -3.8802 -3.8802 3.6703 3.6703 4.1786 4.1786 5.0902 5.0902 5.3788 5.3788 5.5471 5.5471 5.7909 5.7909 6.2562 6.2562 6.7068 6.7068 6.8809 6.8809 7.4160 7.4160 7.8308 7.8308 11.8759 11.8759 12.1120 12.1120 15.7749 15.7749 18.0873 18.0873 k = 0.5540 0.1427-0.2936 ( 2140 PWs) bands (ev): -9.6408 -9.6408 -8.8873 -8.8873 -4.9493 -4.9493 -4.7794 -4.7794 -4.1854 -4.1854 -3.9884 -3.9884 -3.8921 -3.8921 3.6932 3.6932 4.1742 4.1742 5.1192 5.1192 5.3819 5.3819 5.5496 5.5496 5.7954 5.7954 6.2474 6.2474 6.7237 6.7237 6.9130 6.9130 7.4348 7.4348 7.8204 7.8204 11.7786 11.7786 12.1147 12.1147 15.6872 15.6872 18.1295 18.1295 k = 0.5510 0.1419-0.2730 ( 2136 PWs) bands (ev): -9.6591 -9.6591 -8.8752 -8.8752 -4.9541 -4.9541 -4.7906 -4.7906 -4.1929 -4.1929 -3.9901 -3.9901 -3.9029 -3.9029 3.7144 3.7144 4.1696 4.1696 5.1480 5.1480 5.3838 5.3838 5.5493 5.5493 5.7986 5.7986 6.2389 6.2389 6.7484 6.7484 6.9454 6.9454 7.4533 7.4533 7.8098 7.8098 11.6820 11.6820 12.1177 12.1177 15.6012 15.6012 18.1667 18.1667 k = 0.5480 0.1411-0.2524 ( 2135 PWs) bands (ev): -9.6767 -9.6767 -8.8634 -8.8634 -4.9592 -4.9592 -4.8013 -4.8013 -4.2007 -4.2007 -3.9914 -3.9914 -3.9125 -3.9125 3.7338 3.7338 4.1648 4.1648 5.1759 5.1759 5.3847 5.3847 5.5468 5.5468 5.8012 5.8012 6.2306 6.2306 6.7795 6.7795 6.9777 6.9777 7.4712 7.4712 7.7991 7.7991 11.5871 11.5871 12.1205 12.1205 15.5174 15.5174 18.1988 18.1988 k = 0.5450 0.1403-0.2318 ( 2135 PWs) bands (ev): -9.6935 -9.6935 -8.8519 -8.8519 -4.9647 -4.9647 -4.8113 -4.8113 -4.2088 -4.2088 -3.9925 -3.9925 -3.9210 -3.9210 3.7516 3.7516 4.1599 4.1599 5.2021 5.2021 5.3848 5.3848 5.5428 5.5428 5.8037 5.8037 6.2227 6.2227 6.8160 6.8160 7.0099 7.0099 7.4884 7.4884 7.7882 7.7882 11.4943 11.4943 12.1231 12.1231 15.4363 15.4363 18.2259 18.2259 k = 0.5420 0.1396-0.2111 ( 2135 PWs) bands (ev): -9.7094 -9.7094 -8.8408 -8.8408 -4.9705 -4.9705 -4.8205 -4.8205 -4.2170 -4.2170 -3.9933 -3.9933 -3.9285 -3.9285 3.7677 3.7677 4.1550 4.1550 5.2254 5.2254 5.3850 5.3850 5.5383 5.5383 5.8063 5.8063 6.2152 6.2152 6.8563 6.8563 7.0417 7.0417 7.5045 7.5045 7.7772 7.7772 11.4041 11.4041 12.1252 12.1252 15.3583 15.3583 18.2482 18.2482 k = 0.5390 0.1388-0.1905 ( 2138 PWs) bands (ev): -9.7245 -9.7245 -8.8303 -8.8303 -4.9764 -4.9764 -4.8290 -4.8290 -4.2251 -4.2251 -3.9940 -3.9940 -3.9351 -3.9351 3.7823 3.7823 4.1501 4.1501 5.2442 5.2442 5.3868 5.3868 5.5339 5.5339 5.8093 5.8093 6.2082 6.2082 6.8995 6.8995 7.0731 7.0731 7.5194 7.5194 7.7662 7.7662 11.3171 11.3171 12.1271 12.1271 15.2839 15.2839 18.2663 18.2663 k = 0.5360 0.1380-0.1699 ( 2138 PWs) bands (ev): -9.7386 -9.7386 -8.8202 -8.8202 -4.9825 -4.9825 -4.8367 -4.8367 -4.2331 -4.2331 -3.9945 -3.9945 -3.9408 -3.9408 3.7954 3.7954 4.1454 4.1454 5.2566 5.2566 5.3919 5.3919 5.5300 5.5300 5.8125 5.8125 6.2019 6.2019 6.9443 6.9443 7.1039 7.1039 7.5327 7.5327 7.7553 7.7553 11.2337 11.2337 12.1285 12.1285 15.2133 15.2133 18.2806 18.2806 k = 0.5330 0.1372-0.1493 ( 2144 PWs) bands (ev): -9.7518 -9.7518 -8.8107 -8.8107 -4.9887 -4.9887 -4.8437 -4.8437 -4.2408 -4.2408 -3.9950 -3.9950 -3.9458 -3.9458 3.8072 3.8072 4.1408 4.1408 5.2617 5.2617 5.4014 5.4014 5.5268 5.5268 5.8160 5.8160 6.1963 6.1963 6.9899 6.9899 7.1340 7.1340 7.5440 7.5440 7.7448 7.7448 11.1543 11.1543 12.1297 12.1297 15.1470 15.1470 18.2918 18.2918 k = 0.5300 0.1365-0.1286 ( 2142 PWs) bands (ev): -9.7639 -9.7639 -8.8019 -8.8019 -4.9947 -4.9947 -4.8498 -4.8498 -4.2481 -4.2481 -3.9953 -3.9953 -3.9499 -3.9499 3.8176 3.8176 4.1365 4.1365 5.2603 5.2603 5.4149 5.4149 5.5246 5.5246 5.8197 5.8197 6.1914 6.1914 7.0354 7.0354 7.1632 7.1632 7.5532 7.5532 7.7347 7.7347 11.0795 11.0795 12.1306 12.1306 15.0852 15.0852 18.3003 18.3003 k = 0.5270 0.1357-0.1080 ( 2140 PWs) bands (ev): -9.7750 -9.7750 -8.7938 -8.7938 -5.0005 -5.0005 -4.8553 -4.8553 -4.2549 -4.2549 -3.9957 -3.9957 -3.9533 -3.9533 3.8268 3.8268 4.1324 4.1324 5.2544 5.2544 5.4305 5.4305 5.5231 5.5231 5.8235 5.8235 6.1873 6.1873 7.0802 7.0802 7.1914 7.1914 7.5597 7.5597 7.7253 7.7253 11.0098 11.0098 12.1312 12.1312 15.0284 15.0284 18.3066 18.3066 k = 0.5240 0.1349-0.0874 ( 2138 PWs) bands (ev): -9.7850 -9.7850 -8.7864 -8.7864 -5.0061 -5.0061 -4.8600 -4.8600 -4.2612 -4.2612 -3.9960 -3.9960 -3.9562 -3.9562 3.8348 3.8348 4.1286 4.1286 5.2460 5.2460 5.4465 5.4465 5.5223 5.5223 5.8273 5.8273 6.1838 6.1838 7.1235 7.1235 7.2184 7.2184 7.5634 7.5634 7.7169 7.7169 10.9456 10.9456 12.1316 12.1316 14.9767 14.9767 18.3112 18.3112 k = 0.5210 0.1341-0.0668 ( 2138 PWs) bands (ev): -9.7939 -9.7939 -8.7797 -8.7797 -5.0112 -5.0112 -4.8641 -4.8641 -4.2669 -4.2669 -3.9964 -3.9964 -3.9585 -3.9585 3.8418 3.8418 4.1252 4.1252 5.2365 5.2365 5.4618 5.4618 5.5222 5.5222 5.8310 5.8310 6.1810 6.1810 7.1647 7.1647 7.2439 7.2439 7.5641 7.5641 7.7096 7.7096 10.8874 10.8874 12.1318 12.1318 14.9304 14.9304 18.3144 18.3144 k = 0.5180 0.1334-0.0461 ( 2140 PWs) bands (ev): -9.8017 -9.8017 -8.7739 -8.7739 -5.0160 -5.0160 -4.8676 -4.8676 -4.2719 -4.2719 -3.9968 -3.9968 -3.9603 -3.9603 3.8476 3.8476 4.1222 4.1222 5.2270 5.2270 5.4752 5.4752 5.5228 5.5228 5.8345 5.8345 6.1786 6.1786 7.2032 7.2032 7.2678 7.2678 7.5619 7.5619 7.7033 7.7033 10.8359 10.8359 12.1319 12.1319 14.8899 14.8899 18.3166 18.3166 k = 0.5150 0.1326-0.0255 ( 2138 PWs) bands (ev): -9.8082 -9.8082 -8.7689 -8.7689 -5.0201 -5.0201 -4.8705 -4.8705 -4.2762 -4.2762 -3.9972 -3.9972 -3.9617 -3.9617 3.8525 3.8525 4.1196 4.1196 5.2181 5.2181 5.4864 5.4864 5.5241 5.5241 5.8377 5.8377 6.1768 6.1768 7.2382 7.2382 7.2895 7.2895 7.5573 7.5573 7.6981 7.6981 10.7913 10.7913 12.1319 12.1319 14.8552 14.8552 18.3181 18.3181 k = 0.5120 0.1318-0.0049 ( 2138 PWs) bands (ev): -9.8137 -9.8137 -8.7648 -8.7648 -5.0235 -5.0235 -4.8729 -4.8729 -4.2798 -4.2798 -3.9976 -3.9976 -3.9628 -3.9628 3.8565 3.8565 4.1174 4.1174 5.2103 5.2103 5.4948 5.4948 5.5261 5.5261 5.8406 5.8406 6.1754 6.1754 7.2690 7.2690 7.3087 7.3087 7.5508 7.5508 7.6938 7.6938 10.7542 10.7542 12.1318 12.1318 14.8265 14.8265 18.3190 18.3190 k = 0.5090 0.1311 0.0157 ( 2139 PWs) bands (ev): -9.8179 -9.8179 -8.7615 -8.7615 -5.0263 -5.0263 -4.8747 -4.8747 -4.2826 -4.2826 -3.9979 -3.9979 -3.9636 -3.9636 3.8595 3.8595 4.1157 4.1157 5.2039 5.2039 5.5004 5.5004 5.5288 5.5288 5.8429 5.8429 6.1743 6.1743 7.2947 7.2947 7.3249 7.3249 7.5436 7.5436 7.6904 7.6904 10.7249 10.7249 12.1318 12.1318 14.8041 14.8041 18.3195 18.3195 k = 0.5060 0.1303 0.0364 ( 2138 PWs) bands (ev): -9.8209 -9.8209 -8.7592 -8.7592 -5.0283 -5.0283 -4.8759 -4.8759 -4.2846 -4.2846 -3.9981 -3.9981 -3.9641 -3.9641 3.8617 3.8617 4.1145 4.1145 5.1993 5.1993 5.5037 5.5037 5.5315 5.5315 5.8447 5.8447 6.1736 6.1736 7.3143 7.3143 7.3373 7.3373 7.5368 7.5368 7.6878 7.6878 10.7037 10.7037 12.1317 12.1317 14.7880 14.7880 18.3198 18.3198 k = 0.5030 0.1295 0.0570 ( 2138 PWs) bands (ev): -9.8227 -9.8227 -8.7578 -8.7578 -5.0295 -5.0295 -4.8767 -4.8767 -4.2858 -4.2858 -3.9982 -3.9982 -3.9644 -3.9644 3.8629 3.8629 4.1138 4.1138 5.1964 5.1964 5.5054 5.5054 5.5335 5.5335 5.8458 5.8458 6.1732 6.1732 7.3265 7.3265 7.3452 7.3452 7.5319 7.5319 7.6862 7.6862 10.6909 10.6909 12.1316 12.1316 14.7783 14.7783 18.3200 18.3200 k = 0.5000 0.1287 0.0776 ( 2138 PWs) bands (ev): -9.8233 -9.8233 -8.7574 -8.7574 -5.0299 -5.0299 -4.8769 -4.8769 -4.2862 -4.2862 -3.9983 -3.9983 -3.9645 -3.9645 3.8634 3.8634 4.1135 4.1135 5.1954 5.1954 5.5059 5.5059 5.5342 5.5342 5.8461 5.8461 6.1731 6.1731 7.3307 7.3307 7.3480 7.3480 7.5300 7.5300 7.6856 7.6856 10.6866 10.6866 12.1316 12.1316 14.7750 14.7750 18.3200 18.3200 k = 0.5000-0.9066-0.5466 ( 2170 PWs) bands (ev): -9.2755 -9.2755 -8.9618 -8.9618 -4.9260 -4.9260 -4.4669 -4.4669 -4.1158 -4.1158 -3.8305 -3.8305 -3.1538 -3.1538 2.9006 2.9006 2.9101 2.9101 4.1649 4.1649 4.8209 4.8209 5.3065 5.3065 6.6422 6.6422 6.7381 6.7381 6.8024 6.8024 7.0504 7.0504 7.3945 7.3945 8.4405 8.4405 11.9768 11.9768 13.8786 13.8786 14.2825 14.2825 17.9388 17.9388 k = 0.5187-0.8990-0.5420 ( 2170 PWs) bands (ev): -9.2760 -9.2760 -8.9612 -8.9612 -4.9260 -4.9260 -4.4670 -4.4670 -4.1159 -4.1159 -3.8305 -3.8305 -3.1541 -3.1541 2.8955 2.8955 2.9157 2.9157 4.1682 4.1682 4.8220 4.8220 5.3066 5.3066 6.6151 6.6151 6.7536 6.7536 6.8045 6.8045 7.0440 7.0440 7.4036 7.4036 8.4420 8.4420 11.9764 11.9764 13.8823 13.8823 14.2827 14.2827 17.9331 17.9331 k = 0.5374-0.8915-0.5374 ( 2158 PWs) bands (ev): -9.2775 -9.2775 -8.9595 -8.9595 -4.9259 -4.9259 -4.4670 -4.4670 -4.1158 -4.1158 -3.8304 -3.8304 -3.1550 -3.1550 2.8869 2.8869 2.9262 2.9262 4.1781 4.1781 4.8252 4.8252 5.3067 5.3067 6.5595 6.5595 6.7703 6.7703 6.8141 6.8141 7.0288 7.0288 7.4283 7.4283 8.4464 8.4464 11.9754 11.9754 13.8934 13.8934 14.2834 14.2834 17.9159 17.9159 k = 0.5562-0.8839-0.5329 ( 2156 PWs) bands (ev): -9.2798 -9.2798 -8.9567 -8.9567 -4.9260 -4.9260 -4.4672 -4.4672 -4.1159 -4.1159 -3.8304 -3.8304 -3.1567 -3.1567 2.8765 2.8765 2.9399 2.9399 4.1943 4.1943 4.8306 4.8306 5.3068 5.3068 6.4932 6.4932 6.7705 6.7705 6.8268 6.8268 7.0131 7.0131 7.4638 7.4638 8.4538 8.4538 11.9738 11.9738 13.9115 13.9115 14.2847 14.2847 17.8872 17.8872 k = 0.5749-0.8763-0.5283 ( 2158 PWs) bands (ev): -9.2830 -9.2830 -8.9530 -8.9530 -4.9260 -4.9260 -4.4675 -4.4675 -4.1160 -4.1160 -3.8305 -3.8305 -3.1591 -3.1591 2.8642 2.8642 2.9572 2.9572 4.2163 4.2163 4.8380 4.8380 5.3069 5.3069 6.4209 6.4209 6.7584 6.7584 6.8305 6.8305 7.0054 7.0054 7.5055 7.5055 8.4640 8.4640 11.9718 11.9718 13.9358 13.9358 14.2869 14.2869 17.8472 17.8472 k = 0.5936-0.8687-0.5237 ( 2157 PWs) bands (ev): -9.2869 -9.2869 -8.9483 -8.9483 -4.9261 -4.9261 -4.4678 -4.4678 -4.1162 -4.1162 -3.8306 -3.8306 -3.1620 -3.1620 2.8499 2.8499 2.9783 2.9783 4.2438 4.2438 4.8475 4.8475 5.3070 5.3070 6.3443 6.3443 6.7335 6.7335 6.8260 6.8260 7.0066 7.0066 7.5506 7.5506 8.4771 8.4771 11.9698 11.9698 13.9654 13.9654 14.2909 14.2909 17.7966 17.7966 k = 0.6123-0.8612-0.5192 ( 2158 PWs) bands (ev): -9.2915 -9.2915 -8.9429 -8.9429 -4.9262 -4.9262 -4.4683 -4.4683 -4.1165 -4.1165 -3.8307 -3.8307 -3.1655 -3.1655 2.8340 2.8340 3.0034 3.0034 4.2762 4.2762 4.8591 4.8591 5.3072 5.3072 6.2648 6.2648 6.6959 6.6959 6.8196 6.8196 7.0111 7.0111 7.5973 7.5973 8.4928 8.4928 11.9681 11.9681 13.9986 13.9986 14.2976 14.2976 17.7362 17.7362 k = 0.6311-0.8536-0.5146 ( 2158 PWs) bands (ev): -9.2965 -9.2965 -8.9369 -8.9369 -4.9263 -4.9263 -4.4687 -4.4687 -4.1167 -4.1167 -3.8307 -3.8307 -3.1696 -3.1696 2.8167 2.8167 3.0324 3.0324 4.3128 4.3128 4.8728 4.8728 5.3073 5.3073 6.1833 6.1833 6.6490 6.6490 6.8140 6.8140 7.0140 7.0140 7.6445 7.6445 8.5110 8.5110 11.9670 11.9670 14.0332 14.0332 14.3089 14.3089 17.6671 17.6671 k = 0.6498-0.8460-0.5100 ( 2158 PWs) bands (ev): -9.3019 -9.3019 -8.9304 -8.9304 -4.9264 -4.9264 -4.4692 -4.4692 -4.1170 -4.1170 -3.8308 -3.8308 -3.1741 -3.1741 2.7983 2.7983 3.0654 3.0654 4.3529 4.3529 4.8885 4.8885 5.3075 5.3075 6.1006 6.1006 6.5963 6.5963 6.8090 6.8090 7.0125 7.0125 7.6913 7.6913 8.5313 8.5313 11.9668 11.9668 14.0661 14.0661 14.3274 14.3274 17.5903 17.5903 k = 0.6685-0.8384-0.5055 ( 2159 PWs) bands (ev): -9.3077 -9.3077 -8.9235 -8.9235 -4.9265 -4.9265 -4.4698 -4.4698 -4.1173 -4.1173 -3.8309 -3.8309 -3.1789 -3.1789 2.7792 2.7792 3.1021 3.1021 4.3957 4.3957 4.9062 4.9062 5.3077 5.3077 6.0177 6.0177 6.5401 6.5401 6.8038 6.8038 7.0055 7.0055 7.7373 7.7373 8.5532 8.5532 11.9678 11.9678 14.0937 14.0937 14.3558 14.3558 17.5071 17.5071 k = 0.6872-0.8309-0.5009 ( 2158 PWs) bands (ev): -9.3135 -9.3135 -8.9164 -8.9164 -4.9267 -4.9267 -4.4704 -4.4704 -4.1177 -4.1177 -3.8311 -3.8311 -3.1839 -3.1839 2.7598 2.7598 3.1425 3.1425 4.4405 4.4405 4.9258 4.9258 5.3078 5.3078 5.9355 5.9355 6.4819 6.4819 6.7980 6.7980 6.9932 6.9932 7.7820 7.7820 8.5762 8.5762 11.9702 11.9702 14.1138 14.1138 14.3962 14.3962 17.4184 17.4184 k = 0.7059-0.8233-0.4963 ( 2158 PWs) bands (ev): -9.3194 -9.3194 -8.9092 -8.9092 -4.9268 -4.9268 -4.4711 -4.4711 -4.1181 -4.1181 -3.8312 -3.8312 -3.1892 -3.1892 2.7403 2.7403 3.1861 3.1861 4.4861 4.4861 4.9474 4.9474 5.3079 5.3079 5.8552 5.8552 6.4225 6.4225 6.7905 6.7905 6.9761 6.9761 7.8252 7.8252 8.5997 8.5997 11.9743 11.9743 14.1259 14.1259 14.4482 14.4482 17.3251 17.3251 k = 0.7247-0.8157-0.4918 ( 2156 PWs) bands (ev): -9.3254 -9.3254 -8.9020 -8.9020 -4.9269 -4.9269 -4.4717 -4.4717 -4.1184 -4.1184 -3.8314 -3.8314 -3.1946 -3.1946 2.7210 2.7210 3.2330 3.2330 4.5314 4.5314 4.9708 4.9708 5.3079 5.3079 5.7780 5.7780 6.3626 6.3626 6.7805 6.7805 6.9556 6.9556 7.8666 7.8666 8.6232 8.6232 11.9801 11.9801 14.1315 14.1315 14.5100 14.5100 17.2282 17.2282 k = 0.7434-0.8082-0.4872 ( 2158 PWs) bands (ev): -9.3312 -9.3312 -8.8948 -8.8948 -4.9271 -4.9271 -4.4724 -4.4724 -4.1188 -4.1188 -3.8316 -3.8316 -3.2001 -3.2001 2.7021 2.7021 3.2827 3.2827 4.5748 4.5748 4.9960 4.9960 5.3078 5.3078 5.7056 5.7056 6.3024 6.3024 6.7665 6.7665 6.9335 6.9335 7.9060 7.9060 8.6461 8.6461 11.9877 11.9877 14.1321 14.1321 14.5796 14.5796 17.1284 17.1284 k = 0.7621-0.8006-0.4827 ( 2153 PWs) bands (ev): -9.3368 -9.3368 -8.8879 -8.8879 -4.9271 -4.9271 -4.4731 -4.4731 -4.1192 -4.1192 -3.8317 -3.8317 -3.2054 -3.2054 2.6839 2.6839 3.3348 3.3348 4.6144 4.6144 5.0229 5.0229 5.3075 5.3075 5.6402 5.6402 6.2425 6.2425 6.7466 6.7466 6.9122 6.9122 7.9431 7.9431 8.6679 8.6679 11.9973 11.9973 14.1292 14.1292 14.6549 14.6549 17.0264 17.0264 k = 0.7808-0.7930-0.4781 ( 2157 PWs) bands (ev): -9.3422 -9.3422 -8.8812 -8.8812 -4.9273 -4.9273 -4.4739 -4.4739 -4.1196 -4.1196 -3.8320 -3.8320 -3.2107 -3.2107 2.6666 2.6666 3.3890 3.3890 4.6478 4.6478 5.0515 5.0515 5.3069 5.3069 5.5843 5.5843 6.1830 6.1830 6.7195 6.7195 6.8938 6.8938 7.9778 7.9778 8.6881 8.6881 12.0086 12.0086 14.1235 14.1235 14.7348 14.7348 16.9230 16.9230 k = 0.7995-0.7854-0.4735 ( 2157 PWs) bands (ev): -9.3474 -9.3474 -8.8749 -8.8749 -4.9274 -4.9274 -4.4745 -4.4745 -4.1200 -4.1200 -3.8322 -3.8322 -3.2158 -3.2158 2.6502 2.6502 3.4448 3.4448 4.6722 4.6722 5.0817 5.0817 5.3064 5.3064 5.5407 5.5407 6.1241 6.1241 6.6846 6.6846 6.8794 6.8794 8.0100 8.0100 8.7063 8.7063 12.0217 12.0217 14.1157 14.1157 14.8182 14.8182 16.8187 16.8187 k = 0.8183-0.7779-0.4690 ( 2157 PWs) bands (ev): -9.3521 -9.3521 -8.8690 -8.8690 -4.9276 -4.9276 -4.4752 -4.4752 -4.1204 -4.1204 -3.8324 -3.8324 -3.2206 -3.2206 2.6349 2.6349 3.5014 3.5014 4.6850 4.6850 5.1132 5.1132 5.3065 5.3065 5.5117 5.5117 6.0662 6.0662 6.6430 6.6430 6.8686 6.8686 8.0394 8.0394 8.7221 8.7221 12.0363 12.0363 14.1062 14.1062 14.9041 14.9041 16.7143 16.7143 Writing output data file InAgO2.save init_run : 0.31s CPU 0.44s WALL ( 1 calls) electrons : 156.06s CPU 158.07s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 156.05s CPU 158.06s 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 : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 363 calls) cegterg : 141.51s CPU 142.92s WALL ( 464 calls) Called by sum_band: Called by *egterg: h_psi : 106.59s CPU 107.65s WALL ( 7922 calls) s_psi : 3.19s CPU 3.37s WALL ( 7922 calls) g_psi : 0.08s CPU 0.10s WALL ( 7095 calls) cdiaghg : 37.32s CPU 37.81s WALL ( 7458 calls) cegterg:over : 2.82s CPU 2.81s WALL ( 7095 calls) cegterg:upda : 1.74s CPU 1.84s WALL ( 7095 calls) cegterg:last : 1.30s CPU 1.22s WALL ( 1190 calls) cdiaghg:chol : 1.92s CPU 1.96s WALL ( 7458 calls) cdiaghg:inve : 1.11s CPU 1.13s WALL ( 7458 calls) cdiaghg:para : 2.15s CPU 2.18s WALL ( 14916 calls) Called by h_psi: h_psi:vloc : 101.72s CPU 102.72s WALL ( 7922 calls) h_psi:vnl : 4.80s CPU 4.86s WALL ( 7922 calls) add_vuspsi : 2.55s CPU 2.54s WALL ( 7922 calls) General routines calbec : 2.22s CPU 2.30s WALL ( 7922 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 95.28s CPU 96.17s WALL ( 659008 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.20s WALL ( 726 calls) Parallel routines fft_scatter : 22.10s CPU 22.28s WALL ( 659031 calls) PWSCF : 2m49.18s CPU 3m14.90s WALL This run was terminated on: 18:32:31 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=