Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 7:24 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: ./SbS2NF6.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 81 51 14 3140 1529 233 Max 82 52 15 3146 1550 237 Sum 2947 1841 529 113159 55607 8447 bravais-lattice index = 14 lattice parameter (alat) = 11.1402 a.u. unit-cell volume = 1164.6243 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 4 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.140185 celldm(2)= 1.000000 celldm(3)= 0.904814 celldm(4)= 0.008362 celldm(5)= 0.008362 celldm(6)= 0.364900 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.364900 0.931047 0.000000 ) a(3) = ( 0.007566 0.005161 0.904768 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.391924 -0.006127 ) b(2) = ( 0.000000 1.074060 -0.006127 ) b(3) = ( 0.000000 0.000000 1.105256 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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. # 3 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) F 7.00 18.99840 F( 1.00) Sb 5.00 121.76000 Sb( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0151515 0.0103354 -0.0001857), wk = 0.0036765 k( 3) = ( 0.0303030 0.0206708 -0.0003713), wk = 0.0036765 k( 4) = ( 0.0454546 0.0310062 -0.0005570), wk = 0.0036765 k( 5) = ( 0.0606061 0.0413415 -0.0007427), wk = 0.0036765 k( 6) = ( 0.0757576 0.0516769 -0.0009283), wk = 0.0036765 k( 7) = ( 0.0909091 0.0620123 -0.0011140), wk = 0.0036765 k( 8) = ( 0.1060606 0.0723477 -0.0012997), wk = 0.0036765 k( 9) = ( 0.1212121 0.0826831 -0.0014854), wk = 0.0036765 k( 10) = ( 0.1363636 0.0930185 -0.0016710), wk = 0.0036765 k( 11) = ( 0.1515151 0.1033539 -0.0018567), wk = 0.0036765 k( 12) = ( 0.1666667 0.1136893 -0.0020424), wk = 0.0036765 k( 13) = ( 0.1818182 0.1240246 -0.0022280), wk = 0.0036765 k( 14) = ( 0.1969697 0.1343600 -0.0024137), wk = 0.0036765 k( 15) = ( 0.2121212 0.1446954 -0.0025994), wk = 0.0036765 k( 16) = ( 0.2272727 0.1550308 -0.0027850), wk = 0.0036765 k( 17) = ( 0.2424242 0.1653662 -0.0029707), wk = 0.0036765 k( 18) = ( 0.2575758 0.1757016 -0.0031564), wk = 0.0036765 k( 19) = ( 0.2727273 0.1860370 -0.0033421), wk = 0.0036765 k( 20) = ( 0.2878788 0.1963723 -0.0035277), wk = 0.0036765 k( 21) = ( 0.3030303 0.2067077 -0.0037134), wk = 0.0036765 k( 22) = ( 0.3181818 0.2170431 -0.0038991), wk = 0.0036765 k( 23) = ( 0.3333333 0.2273785 -0.0040847), wk = 0.0036765 k( 24) = ( 0.3484849 0.2377139 -0.0042704), wk = 0.0036765 k( 25) = ( 0.3636364 0.2480493 -0.0044561), wk = 0.0036765 k( 26) = ( 0.3787879 0.2583847 -0.0046417), wk = 0.0036765 k( 27) = ( 0.3939394 0.2687201 -0.0048274), wk = 0.0036765 k( 28) = ( 0.4090909 0.2790554 -0.0050131), wk = 0.0036765 k( 29) = ( 0.4242424 0.2893908 -0.0051987), wk = 0.0036765 k( 30) = ( 0.4393939 0.2997262 -0.0053844), wk = 0.0036765 k( 31) = ( 0.4545455 0.3100616 -0.0055701), wk = 0.0036765 k( 32) = ( 0.4696970 0.3203970 -0.0057558), wk = 0.0036765 k( 33) = ( 0.4848485 0.3307324 -0.0059414), wk = 0.0036765 k( 34) = ( 0.5000000 0.3410678 -0.0061271), wk = 0.0036765 k( 35) = ( 0.5000000 0.3410678 -0.0061271), wk = 0.0036765 k( 36) = ( 0.5001523 0.3411717 0.0120896), wk = 0.0036765 k( 37) = ( 0.5003047 0.3412756 0.0303063), wk = 0.0036765 k( 38) = ( 0.5004570 0.3413795 0.0485230), wk = 0.0036765 k( 39) = ( 0.5006094 0.3414834 0.0667397), wk = 0.0036765 k( 40) = ( 0.5007617 0.3415874 0.0849564), wk = 0.0036765 k( 41) = ( 0.5009141 0.3416913 0.1031731), wk = 0.0036765 k( 42) = ( 0.5010664 0.3417952 0.1213897), wk = 0.0036765 k( 43) = ( 0.5012188 0.3418991 0.1396064), wk = 0.0036765 k( 44) = ( 0.5013711 0.3420030 0.1578231), wk = 0.0036765 k( 45) = ( 0.5015234 0.3421070 0.1760398), wk = 0.0036765 k( 46) = ( 0.5016758 0.3422109 0.1942565), wk = 0.0036765 k( 47) = ( 0.5018281 0.3423148 0.2124732), wk = 0.0036765 k( 48) = ( 0.5019805 0.3424187 0.2306899), wk = 0.0036765 k( 49) = ( 0.5021328 0.3425226 0.2489066), wk = 0.0036765 k( 50) = ( 0.5022852 0.3426266 0.2671233), wk = 0.0036765 k( 51) = ( 0.5024375 0.3427305 0.2853400), wk = 0.0036765 k( 52) = ( 0.5025899 0.3428344 0.3035567), wk = 0.0036765 k( 53) = ( 0.5027422 0.3429383 0.3217734), wk = 0.0036765 k( 54) = ( 0.5028945 0.3430422 0.3399901), wk = 0.0036765 k( 55) = ( 0.5030469 0.3431461 0.3582068), wk = 0.0036765 k( 56) = ( 0.5031992 0.3432501 0.3764235), wk = 0.0036765 k( 57) = ( 0.5033516 0.3433540 0.3946401), wk = 0.0036765 k( 58) = ( 0.5035039 0.3434579 0.4128568), wk = 0.0036765 k( 59) = ( 0.5036563 0.3435618 0.4310735), wk = 0.0036765 k( 60) = ( 0.5038086 0.3436657 0.4492902), wk = 0.0036765 k( 61) = ( 0.5039609 0.3437697 0.4675069), wk = 0.0036765 k( 62) = ( 0.5041133 0.3438736 0.4857236), wk = 0.0036765 k( 63) = ( 0.5042656 0.3439775 0.5039403), wk = 0.0036765 k( 64) = ( 0.5044180 0.3440814 0.5221570), wk = 0.0036765 k( 65) = ( 0.5045703 0.3441853 0.5403737), wk = 0.0036765 k( 66) = ( 0.5045703 0.3441853 0.5403737), wk = 0.0036765 k( 67) = ( 0.5000000 0.3410678 0.5465008), wk = 0.0036765 k( 68) = ( 0.5000000 0.3410678 0.5465008), wk = 0.0036765 k( 69) = ( 0.5104470 0.3257526 0.5465008), wk = 0.0036765 k( 70) = ( 0.5208940 0.3104374 0.5465008), wk = 0.0036765 k( 71) = ( 0.5313411 0.2951222 0.5465008), wk = 0.0036765 k( 72) = ( 0.5417881 0.2798071 0.5465008), wk = 0.0036765 k( 73) = ( 0.5522351 0.2644919 0.5465008), wk = 0.0036765 k( 74) = ( 0.5626821 0.2491767 0.5465008), wk = 0.0036765 k( 75) = ( 0.5731292 0.2338615 0.5465008), wk = 0.0036765 k( 76) = ( 0.5835762 0.2185464 0.5465008), wk = 0.0036765 k( 77) = ( 0.5940232 0.2032312 0.5465008), wk = 0.0036765 k( 78) = ( 0.6044702 0.1879160 0.5465008), wk = 0.0036765 k( 79) = ( 0.6149173 0.1726009 0.5465008), wk = 0.0036765 k( 80) = ( 0.6253643 0.1572857 0.5465008), wk = 0.0036765 k( 81) = ( 0.6358113 0.1419705 0.5465008), wk = 0.0036765 k( 82) = ( 0.3641887 -0.5338949 0.5526279), wk = 0.0036765 k( 83) = ( 0.3537833 -0.5186408 0.5526279), wk = 0.0036765 k( 84) = ( 0.3433779 -0.5033866 0.5526279), wk = 0.0036765 k( 85) = ( 0.3329725 -0.4881325 0.5526279), wk = 0.0036765 k( 86) = ( 0.3225671 -0.4728783 0.5526279), wk = 0.0036765 k( 87) = ( 0.3121617 -0.4576242 0.5526279), wk = 0.0036765 k( 88) = ( 0.3017563 -0.4423701 0.5526279), wk = 0.0036765 k( 89) = ( 0.2913509 -0.4271159 0.5526279), wk = 0.0036765 k( 90) = ( 0.2809456 -0.4118618 0.5526279), wk = 0.0036765 k( 91) = ( 0.2705402 -0.3966077 0.5526279), wk = 0.0036765 k( 92) = ( 0.2601348 -0.3813535 0.5526279), wk = 0.0036765 k( 93) = ( 0.2497294 -0.3660994 0.5526279), wk = 0.0036765 k( 94) = ( 0.2393240 -0.3508452 0.5526279), wk = 0.0036765 k( 95) = ( 0.2289186 -0.3355911 0.5526279), wk = 0.0036765 k( 96) = ( 0.2185132 -0.3203369 0.5526279), wk = 0.0036765 k( 97) = ( 0.2081078 -0.3050828 0.5526279), wk = 0.0036765 k( 98) = ( 0.1977024 -0.2898287 0.5526279), wk = 0.0036765 k( 99) = ( 0.1872970 -0.2745745 0.5526279), wk = 0.0036765 k( 100) = ( 0.1768917 -0.2593204 0.5526279), wk = 0.0036765 k( 101) = ( 0.1664863 -0.2440663 0.5526279), wk = 0.0036765 k( 102) = ( 0.1560809 -0.2288121 0.5526279), wk = 0.0036765 k( 103) = ( 0.1456755 -0.2135580 0.5526279), wk = 0.0036765 k( 104) = ( 0.1352701 -0.1983038 0.5526279), wk = 0.0036765 k( 105) = ( 0.1248647 -0.1830497 0.5526279), wk = 0.0036765 k( 106) = ( 0.1144593 -0.1677955 0.5526279), wk = 0.0036765 k( 107) = ( 0.1040539 -0.1525414 0.5526279), wk = 0.0036765 k( 108) = ( 0.0936485 -0.1372873 0.5526279), wk = 0.0036765 k( 109) = ( 0.0832431 -0.1220331 0.5526279), wk = 0.0036765 k( 110) = ( 0.0728377 -0.1067790 0.5526279), wk = 0.0036765 k( 111) = ( 0.0624323 -0.0915248 0.5526279), wk = 0.0036765 k( 112) = ( 0.0520270 -0.0762707 0.5526279), wk = 0.0036765 k( 113) = ( 0.0416216 -0.0610166 0.5526279), wk = 0.0036765 k( 114) = ( 0.0312162 -0.0457624 0.5526279), wk = 0.0036765 k( 115) = ( 0.0208108 -0.0305083 0.5526279), wk = 0.0036765 k( 116) = ( 0.0104054 -0.0152541 0.5526279), wk = 0.0036765 k( 117) = ( 0.0000000 0.0000000 0.5526279), wk = 0.0036765 k( 118) = ( 0.0000000 0.0000000 0.5526279), wk = 0.0036765 k( 119) = ( 0.0154822 0.0105609 0.5526279), wk = 0.0036765 k( 120) = ( 0.0309644 0.0211219 0.5526279), wk = 0.0036765 k( 121) = ( 0.0464465 0.0316828 0.5526279), wk = 0.0036765 k( 122) = ( 0.0619287 0.0422438 0.5526279), wk = 0.0036765 k( 123) = ( 0.0774109 0.0528047 0.5526279), wk = 0.0036765 k( 124) = ( 0.0928931 0.0633657 0.5526279), wk = 0.0036765 k( 125) = ( 0.1083752 0.0739266 0.5526279), wk = 0.0036765 k( 126) = ( 0.1238574 0.0844875 0.5526279), wk = 0.0036765 k( 127) = ( 0.1393396 0.0950485 0.5526279), wk = 0.0036765 k( 128) = ( 0.1548218 0.1056094 0.5526279), wk = 0.0036765 k( 129) = ( 0.1703040 0.1161704 0.5526279), wk = 0.0036765 k( 130) = ( 0.1857861 0.1267313 0.5526279), wk = 0.0036765 k( 131) = ( 0.2012683 0.1372923 0.5526279), wk = 0.0036765 k( 132) = ( 0.2167505 0.1478532 0.5526279), wk = 0.0036765 k( 133) = ( 0.2322327 0.1584141 0.5526279), wk = 0.0036765 k( 134) = ( 0.2477148 0.1689751 0.5526279), wk = 0.0036765 k( 135) = ( 0.2631970 0.1795360 0.5526279), wk = 0.0036765 k( 136) = ( 0.2786792 0.1900970 0.5526279), wk = 0.0036765 k( 137) = ( 0.2941614 0.2006579 0.5526279), wk = 0.0036765 k( 138) = ( 0.3096435 0.2112189 0.5526279), wk = 0.0036765 k( 139) = ( 0.3251257 0.2217798 0.5526279), wk = 0.0036765 k( 140) = ( 0.3406079 0.2323408 0.5526279), wk = 0.0036765 k( 141) = ( 0.3560901 0.2429017 0.5526279), wk = 0.0036765 k( 142) = ( 0.3715723 0.2534626 0.5526279), wk = 0.0036765 k( 143) = ( 0.3870544 0.2640236 0.5526279), wk = 0.0036765 k( 144) = ( 0.4025366 0.2745845 0.5526279), wk = 0.0036765 k( 145) = ( 0.4180188 0.2851455 0.5526279), wk = 0.0036765 k( 146) = ( 0.4335010 0.2957064 0.5526279), wk = 0.0036765 k( 147) = ( 0.4489831 0.3062674 0.5526279), wk = 0.0036765 k( 148) = ( 0.4644653 0.3168283 0.5526279), wk = 0.0036765 k( 149) = ( 0.4799475 0.3273892 0.5526279), wk = 0.0036765 k( 150) = ( 0.4954297 0.3379502 0.5526279), wk = 0.0036765 k( 151) = ( 0.5000000 0.3410678 -0.0061271), wk = 0.0036765 k( 152) = ( 0.5102816 0.3259951 -0.0061271), wk = 0.0036765 k( 153) = ( 0.5205632 0.3109224 -0.0061271), wk = 0.0036765 k( 154) = ( 0.5308448 0.2958498 -0.0061271), wk = 0.0036765 k( 155) = ( 0.5411264 0.2807771 -0.0061271), wk = 0.0036765 k( 156) = ( 0.5514080 0.2657044 -0.0061271), wk = 0.0036765 k( 157) = ( 0.5616896 0.2506317 -0.0061271), wk = 0.0036765 k( 158) = ( 0.5719712 0.2355591 -0.0061271), wk = 0.0036765 k( 159) = ( 0.5822528 0.2204864 -0.0061271), wk = 0.0036765 k( 160) = ( 0.5925344 0.2054137 -0.0061271), wk = 0.0036765 k( 161) = ( 0.6028161 0.1903410 -0.0061271), wk = 0.0036765 k( 162) = ( 0.6130977 0.1752684 -0.0061271), wk = 0.0036765 k( 163) = ( 0.6233793 0.1601957 -0.0061271), wk = 0.0036765 k( 164) = ( 0.6336609 0.1451230 -0.0061271), wk = 0.0036765 k( 165) = ( 0.3663391 -0.5370474 -0.0000000), wk = 0.0036765 k( 166) = ( 0.3558723 -0.5217032 -0.0000000), wk = 0.0036765 k( 167) = ( 0.3454055 -0.5063590 -0.0000000), wk = 0.0036765 k( 168) = ( 0.3349386 -0.4910148 -0.0000000), wk = 0.0036765 k( 169) = ( 0.3244718 -0.4756706 -0.0000000), wk = 0.0036765 k( 170) = ( 0.3140050 -0.4603264 -0.0000000), wk = 0.0036765 k( 171) = ( 0.3035381 -0.4449822 -0.0000000), wk = 0.0036765 k( 172) = ( 0.2930713 -0.4296380 -0.0000000), wk = 0.0036765 k( 173) = ( 0.2826045 -0.4142937 -0.0000000), wk = 0.0036765 k( 174) = ( 0.2721377 -0.3989495 -0.0000000), wk = 0.0036765 k( 175) = ( 0.2616708 -0.3836053 -0.0000000), wk = 0.0036765 k( 176) = ( 0.2512040 -0.3682611 -0.0000000), wk = 0.0036765 k( 177) = ( 0.2407372 -0.3529169 -0.0000000), wk = 0.0036765 k( 178) = ( 0.2302703 -0.3375727 -0.0000000), wk = 0.0036765 k( 179) = ( 0.2198035 -0.3222285 -0.0000000), wk = 0.0036765 k( 180) = ( 0.2093367 -0.3068843 -0.0000000), wk = 0.0036765 k( 181) = ( 0.1988698 -0.2915400 -0.0000000), wk = 0.0036765 k( 182) = ( 0.1884030 -0.2761958 -0.0000000), wk = 0.0036765 k( 183) = ( 0.1779361 -0.2608516 -0.0000000), wk = 0.0036765 k( 184) = ( 0.1674693 -0.2455074 -0.0000000), wk = 0.0036765 k( 185) = ( 0.1570025 -0.2301632 -0.0000000), wk = 0.0036765 k( 186) = ( 0.1465357 -0.2148190 -0.0000000), wk = 0.0036765 k( 187) = ( 0.1360688 -0.1994748 -0.0000000), wk = 0.0036765 k( 188) = ( 0.1256020 -0.1841306 -0.0000000), wk = 0.0036765 k( 189) = ( 0.1151352 -0.1687863 -0.0000000), wk = 0.0036765 k( 190) = ( 0.1046683 -0.1534421 -0.0000000), wk = 0.0036765 k( 191) = ( 0.0942015 -0.1380979 -0.0000000), wk = 0.0036765 k( 192) = ( 0.0837347 -0.1227537 -0.0000000), wk = 0.0036765 k( 193) = ( 0.0732678 -0.1074095 -0.0000000), wk = 0.0036765 k( 194) = ( 0.0628010 -0.0920653 -0.0000000), wk = 0.0036765 k( 195) = ( 0.0523342 -0.0767211 -0.0000000), wk = 0.0036765 k( 196) = ( 0.0418673 -0.0613769 -0.0000000), wk = 0.0036765 k( 197) = ( 0.0314005 -0.0460326 -0.0000000), wk = 0.0036765 k( 198) = ( 0.0209337 -0.0306884 -0.0000000), wk = 0.0036765 k( 199) = ( 0.0104668 -0.0153442 -0.0000000), wk = 0.0036765 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 202) = ( 0.0172414 -0.0067573 -0.0001056), wk = 0.0036765 k( 203) = ( 0.0344828 -0.0135146 -0.0002113), wk = 0.0036765 k( 204) = ( 0.0517241 -0.0202720 -0.0003169), wk = 0.0036765 k( 205) = ( 0.0689655 -0.0270293 -0.0004226), wk = 0.0036765 k( 206) = ( 0.0862069 -0.0337866 -0.0005282), wk = 0.0036765 k( 207) = ( 0.1034483 -0.0405439 -0.0006338), wk = 0.0036765 k( 208) = ( 0.1206897 -0.0473012 -0.0007395), wk = 0.0036765 k( 209) = ( 0.1379310 -0.0540585 -0.0008451), wk = 0.0036765 k( 210) = ( 0.1551724 -0.0608159 -0.0009508), wk = 0.0036765 k( 211) = ( 0.1724138 -0.0675732 -0.0010564), wk = 0.0036765 k( 212) = ( 0.1896552 -0.0743305 -0.0011620), wk = 0.0036765 k( 213) = ( 0.2068966 -0.0810878 -0.0012677), wk = 0.0036765 k( 214) = ( 0.2241379 -0.0878451 -0.0013733), wk = 0.0036765 k( 215) = ( 0.2413793 -0.0946024 -0.0014790), wk = 0.0036765 k( 216) = ( 0.2586207 -0.1013598 -0.0015846), wk = 0.0036765 k( 217) = ( 0.2758621 -0.1081171 -0.0016902), wk = 0.0036765 k( 218) = ( 0.2931034 -0.1148744 -0.0017959), wk = 0.0036765 k( 219) = ( 0.3103448 -0.1216317 -0.0019015), wk = 0.0036765 k( 220) = ( 0.3275862 -0.1283890 -0.0020072), wk = 0.0036765 k( 221) = ( 0.3448276 -0.1351464 -0.0021128), wk = 0.0036765 k( 222) = ( 0.3620690 -0.1419037 -0.0022184), wk = 0.0036765 k( 223) = ( 0.3793103 -0.1486610 -0.0023241), wk = 0.0036765 k( 224) = ( 0.3965517 -0.1554183 -0.0024297), wk = 0.0036765 k( 225) = ( 0.4137931 -0.1621756 -0.0025354), wk = 0.0036765 k( 226) = ( 0.4310345 -0.1689329 -0.0026410), wk = 0.0036765 k( 227) = ( 0.4482759 -0.1756903 -0.0027466), wk = 0.0036765 k( 228) = ( 0.4655172 -0.1824476 -0.0028523), wk = 0.0036765 k( 229) = ( 0.4827586 -0.1892049 -0.0029579), wk = 0.0036765 k( 230) = ( 0.5000000 -0.1959622 -0.0030635), wk = 0.0036765 k( 231) = ( 0.5000000 -0.1959622 0.5495643), wk = 0.0036765 k( 232) = ( 0.4878049 -0.1911826 0.5361603), wk = 0.0036765 k( 233) = ( 0.4756098 -0.1864031 0.5227563), wk = 0.0036765 k( 234) = ( 0.4634146 -0.1816235 0.5093523), wk = 0.0036765 k( 235) = ( 0.4512195 -0.1768439 0.4959483), wk = 0.0036765 k( 236) = ( 0.4390244 -0.1720644 0.4825443), wk = 0.0036765 k( 237) = ( 0.4268293 -0.1672848 0.4691403), wk = 0.0036765 k( 238) = ( 0.4146341 -0.1625052 0.4557363), wk = 0.0036765 k( 239) = ( 0.4024390 -0.1577257 0.4423323), wk = 0.0036765 k( 240) = ( 0.3902439 -0.1529461 0.4289283), wk = 0.0036765 k( 241) = ( 0.3780488 -0.1481665 0.4155243), wk = 0.0036765 k( 242) = ( 0.3658537 -0.1433870 0.4021202), wk = 0.0036765 k( 243) = ( 0.3536585 -0.1386074 0.3887162), wk = 0.0036765 k( 244) = ( 0.3414634 -0.1338278 0.3753122), wk = 0.0036765 k( 245) = ( 0.3292683 -0.1290483 0.3619082), wk = 0.0036765 k( 246) = ( 0.3170732 -0.1242687 0.3485042), wk = 0.0036765 k( 247) = ( 0.3048781 -0.1194892 0.3351002), wk = 0.0036765 k( 248) = ( 0.2926829 -0.1147096 0.3216962), wk = 0.0036765 k( 249) = ( 0.2804878 -0.1099300 0.3082922), wk = 0.0036765 k( 250) = ( 0.2682927 -0.1051505 0.2948882), wk = 0.0036765 k( 251) = ( 0.2560976 -0.1003709 0.2814842), wk = 0.0036765 k( 252) = ( 0.2439024 -0.0955913 0.2680802), wk = 0.0036765 k( 253) = ( 0.2317073 -0.0908118 0.2546762), wk = 0.0036765 k( 254) = ( 0.2195122 -0.0860322 0.2412722), wk = 0.0036765 k( 255) = ( 0.2073171 -0.0812526 0.2278681), wk = 0.0036765 k( 256) = ( 0.1951219 -0.0764731 0.2144641), wk = 0.0036765 k( 257) = ( 0.1829268 -0.0716935 0.2010601), wk = 0.0036765 k( 258) = ( 0.1707317 -0.0669139 0.1876561), wk = 0.0036765 k( 259) = ( 0.1585366 -0.0621344 0.1742521), wk = 0.0036765 k( 260) = ( 0.1463415 -0.0573548 0.1608481), wk = 0.0036765 k( 261) = ( 0.1341463 -0.0525752 0.1474441), wk = 0.0036765 k( 262) = ( 0.1219512 -0.0477957 0.1340401), wk = 0.0036765 k( 263) = ( 0.1097561 -0.0430161 0.1206361), wk = 0.0036765 k( 264) = ( 0.0975610 -0.0382365 0.1072321), wk = 0.0036765 k( 265) = ( 0.0853658 -0.0334570 0.0938281), wk = 0.0036765 k( 266) = ( 0.0731707 -0.0286774 0.0804240), wk = 0.0036765 k( 267) = ( 0.0609756 -0.0238978 0.0670200), wk = 0.0036765 k( 268) = ( 0.0487805 -0.0191183 0.0536160), wk = 0.0036765 k( 269) = ( 0.0365854 -0.0143387 0.0402120), wk = 0.0036765 k( 270) = ( 0.0243902 -0.0095591 0.0268080), wk = 0.0036765 k( 271) = ( 0.0121951 -0.0047796 0.0134040), wk = 0.0036765 k( 272) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0036765 k( 3) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0036765 k( 4) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0036765 k( 5) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0036765 k( 6) = ( 0.0757576 0.0757576 0.0000000), wk = 0.0036765 k( 7) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0036765 k( 8) = ( 0.1060606 0.1060606 0.0000000), wk = 0.0036765 k( 9) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0036765 k( 10) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0036765 k( 11) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0036765 k( 12) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0036765 k( 13) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0036765 k( 14) = ( 0.1969697 0.1969697 0.0000000), wk = 0.0036765 k( 15) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0036765 k( 16) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0036765 k( 17) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0036765 k( 18) = ( 0.2575758 0.2575758 0.0000000), wk = 0.0036765 k( 19) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0036765 k( 20) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0036765 k( 21) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0036765 k( 22) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0036765 k( 23) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036765 k( 24) = ( 0.3484849 0.3484849 0.0000000), wk = 0.0036765 k( 25) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0036765 k( 26) = ( 0.3787879 0.3787879 0.0000000), wk = 0.0036765 k( 27) = ( 0.3939394 0.3939394 0.0000000), wk = 0.0036765 k( 28) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0036765 k( 29) = ( 0.4242424 0.4242424 0.0000000), wk = 0.0036765 k( 30) = ( 0.4393939 0.4393939 0.0000000), wk = 0.0036765 k( 31) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0036765 k( 32) = ( 0.4696970 0.4696970 0.0000000), wk = 0.0036765 k( 33) = ( 0.4848485 0.4848485 0.0000000), wk = 0.0036765 k( 34) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036765 k( 35) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036765 k( 36) = ( 0.5001523 0.5001523 0.0164836), wk = 0.0036765 k( 37) = ( 0.5003047 0.5003047 0.0329671), wk = 0.0036765 k( 38) = ( 0.5004570 0.5004570 0.0494507), wk = 0.0036765 k( 39) = ( 0.5006094 0.5006094 0.0659343), wk = 0.0036765 k( 40) = ( 0.5007617 0.5007617 0.0824179), wk = 0.0036765 k( 41) = ( 0.5009141 0.5009141 0.0989014), wk = 0.0036765 k( 42) = ( 0.5010664 0.5010664 0.1153850), wk = 0.0036765 k( 43) = ( 0.5012188 0.5012188 0.1318685), wk = 0.0036765 k( 44) = ( 0.5013711 0.5013711 0.1483521), wk = 0.0036765 k( 45) = ( 0.5015234 0.5015234 0.1648357), wk = 0.0036765 k( 46) = ( 0.5016758 0.5016758 0.1813193), wk = 0.0036765 k( 47) = ( 0.5018281 0.5018281 0.1978028), wk = 0.0036765 k( 48) = ( 0.5019805 0.5019805 0.2142864), wk = 0.0036765 k( 49) = ( 0.5021328 0.5021328 0.2307700), wk = 0.0036765 k( 50) = ( 0.5022852 0.5022852 0.2472535), wk = 0.0036765 k( 51) = ( 0.5024375 0.5024375 0.2637371), wk = 0.0036765 k( 52) = ( 0.5025899 0.5025899 0.2802207), wk = 0.0036765 k( 53) = ( 0.5027422 0.5027422 0.2967042), wk = 0.0036765 k( 54) = ( 0.5028945 0.5028945 0.3131878), wk = 0.0036765 k( 55) = ( 0.5030469 0.5030469 0.3296714), wk = 0.0036765 k( 56) = ( 0.5031992 0.5031992 0.3461549), wk = 0.0036765 k( 57) = ( 0.5033516 0.5033516 0.3626385), wk = 0.0036765 k( 58) = ( 0.5035039 0.5035039 0.3791221), wk = 0.0036765 k( 59) = ( 0.5036563 0.5036563 0.3956057), wk = 0.0036765 k( 60) = ( 0.5038086 0.5038086 0.4120892), wk = 0.0036765 k( 61) = ( 0.5039609 0.5039609 0.4285728), wk = 0.0036765 k( 62) = ( 0.5041133 0.5041133 0.4450564), wk = 0.0036765 k( 63) = ( 0.5042656 0.5042656 0.4615399), wk = 0.0036765 k( 64) = ( 0.5044180 0.5044180 0.4780235), wk = 0.0036765 k( 65) = ( 0.5045703 0.5045703 0.4945071), wk = 0.0036765 k( 66) = ( 0.5045703 0.5045703 0.4945071), wk = 0.0036765 k( 67) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 68) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 69) = ( 0.5104470 0.4895530 0.5000000), wk = 0.0036765 k( 70) = ( 0.5208940 0.4791060 0.5000000), wk = 0.0036765 k( 71) = ( 0.5313411 0.4686589 0.5000000), wk = 0.0036765 k( 72) = ( 0.5417881 0.4582119 0.5000000), wk = 0.0036765 k( 73) = ( 0.5522351 0.4477649 0.5000000), wk = 0.0036765 k( 74) = ( 0.5626821 0.4373179 0.5000000), wk = 0.0036765 k( 75) = ( 0.5731292 0.4268708 0.5000000), wk = 0.0036765 k( 76) = ( 0.5835762 0.4164238 0.5000000), wk = 0.0036765 k( 77) = ( 0.5940232 0.4059768 0.5000000), wk = 0.0036765 k( 78) = ( 0.6044702 0.3955298 0.5000000), wk = 0.0036765 k( 79) = ( 0.6149173 0.3850827 0.5000000), wk = 0.0036765 k( 80) = ( 0.6253643 0.3746357 0.5000000), wk = 0.0036765 k( 81) = ( 0.6358113 0.3641887 0.5000000), wk = 0.0036765 k( 82) = ( 0.3641887 -0.3641887 0.5000000), wk = 0.0036765 k( 83) = ( 0.3537833 -0.3537833 0.5000000), wk = 0.0036765 k( 84) = ( 0.3433779 -0.3433779 0.5000000), wk = 0.0036765 k( 85) = ( 0.3329725 -0.3329725 0.5000000), wk = 0.0036765 k( 86) = ( 0.3225671 -0.3225671 0.5000000), wk = 0.0036765 k( 87) = ( 0.3121617 -0.3121617 0.5000000), wk = 0.0036765 k( 88) = ( 0.3017563 -0.3017563 0.5000000), wk = 0.0036765 k( 89) = ( 0.2913509 -0.2913509 0.5000000), wk = 0.0036765 k( 90) = ( 0.2809456 -0.2809456 0.5000000), wk = 0.0036765 k( 91) = ( 0.2705402 -0.2705402 0.5000000), wk = 0.0036765 k( 92) = ( 0.2601348 -0.2601348 0.5000000), wk = 0.0036765 k( 93) = ( 0.2497294 -0.2497294 0.5000000), wk = 0.0036765 k( 94) = ( 0.2393240 -0.2393240 0.5000000), wk = 0.0036765 k( 95) = ( 0.2289186 -0.2289186 0.5000000), wk = 0.0036765 k( 96) = ( 0.2185132 -0.2185132 0.5000000), wk = 0.0036765 k( 97) = ( 0.2081078 -0.2081078 0.5000000), wk = 0.0036765 k( 98) = ( 0.1977024 -0.1977024 0.5000000), wk = 0.0036765 k( 99) = ( 0.1872970 -0.1872970 0.5000000), wk = 0.0036765 k( 100) = ( 0.1768917 -0.1768917 0.5000000), wk = 0.0036765 k( 101) = ( 0.1664863 -0.1664863 0.5000000), wk = 0.0036765 k( 102) = ( 0.1560809 -0.1560809 0.5000000), wk = 0.0036765 k( 103) = ( 0.1456755 -0.1456755 0.5000000), wk = 0.0036765 k( 104) = ( 0.1352701 -0.1352701 0.5000000), wk = 0.0036765 k( 105) = ( 0.1248647 -0.1248647 0.5000000), wk = 0.0036765 k( 106) = ( 0.1144593 -0.1144593 0.5000000), wk = 0.0036765 k( 107) = ( 0.1040539 -0.1040539 0.5000000), wk = 0.0036765 k( 108) = ( 0.0936485 -0.0936485 0.5000000), wk = 0.0036765 k( 109) = ( 0.0832431 -0.0832431 0.5000000), wk = 0.0036765 k( 110) = ( 0.0728377 -0.0728377 0.5000000), wk = 0.0036765 k( 111) = ( 0.0624323 -0.0624323 0.5000000), wk = 0.0036765 k( 112) = ( 0.0520270 -0.0520270 0.5000000), wk = 0.0036765 k( 113) = ( 0.0416216 -0.0416216 0.5000000), wk = 0.0036765 k( 114) = ( 0.0312162 -0.0312162 0.5000000), wk = 0.0036765 k( 115) = ( 0.0208108 -0.0208108 0.5000000), wk = 0.0036765 k( 116) = ( 0.0104054 -0.0104054 0.5000000), wk = 0.0036765 k( 117) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 118) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 119) = ( 0.0154822 0.0154822 0.5001716), wk = 0.0036765 k( 120) = ( 0.0309644 0.0309644 0.5003433), wk = 0.0036765 k( 121) = ( 0.0464465 0.0464465 0.5005150), wk = 0.0036765 k( 122) = ( 0.0619287 0.0619287 0.5006866), wk = 0.0036765 k( 123) = ( 0.0774109 0.0774109 0.5008583), wk = 0.0036765 k( 124) = ( 0.0928931 0.0928931 0.5010299), wk = 0.0036765 k( 125) = ( 0.1083752 0.1083752 0.5012016), wk = 0.0036765 k( 126) = ( 0.1238574 0.1238574 0.5013732), wk = 0.0036765 k( 127) = ( 0.1393396 0.1393396 0.5015449), wk = 0.0036765 k( 128) = ( 0.1548218 0.1548218 0.5017165), wk = 0.0036765 k( 129) = ( 0.1703040 0.1703040 0.5018882), wk = 0.0036765 k( 130) = ( 0.1857861 0.1857861 0.5020598), wk = 0.0036765 k( 131) = ( 0.2012683 0.2012683 0.5022315), wk = 0.0036765 k( 132) = ( 0.2167505 0.2167505 0.5024032), wk = 0.0036765 k( 133) = ( 0.2322327 0.2322327 0.5025748), wk = 0.0036765 k( 134) = ( 0.2477148 0.2477148 0.5027465), wk = 0.0036765 k( 135) = ( 0.2631970 0.2631970 0.5029181), wk = 0.0036765 k( 136) = ( 0.2786792 0.2786792 0.5030898), wk = 0.0036765 k( 137) = ( 0.2941614 0.2941614 0.5032614), wk = 0.0036765 k( 138) = ( 0.3096435 0.3096435 0.5034331), wk = 0.0036765 k( 139) = ( 0.3251257 0.3251257 0.5036047), wk = 0.0036765 k( 140) = ( 0.3406079 0.3406079 0.5037764), wk = 0.0036765 k( 141) = ( 0.3560901 0.3560901 0.5039480), wk = 0.0036765 k( 142) = ( 0.3715723 0.3715723 0.5041197), wk = 0.0036765 k( 143) = ( 0.3870544 0.3870544 0.5042913), wk = 0.0036765 k( 144) = ( 0.4025366 0.4025366 0.5044630), wk = 0.0036765 k( 145) = ( 0.4180188 0.4180188 0.5046347), wk = 0.0036765 k( 146) = ( 0.4335010 0.4335010 0.5048063), wk = 0.0036765 k( 147) = ( 0.4489831 0.4489832 0.5049780), wk = 0.0036765 k( 148) = ( 0.4644653 0.4644653 0.5051496), wk = 0.0036765 k( 149) = ( 0.4799475 0.4799475 0.5053213), wk = 0.0036765 k( 150) = ( 0.4954297 0.4954297 0.5054929), wk = 0.0036765 k( 151) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036765 k( 152) = ( 0.5102816 0.4897184 0.0000000), wk = 0.0036765 k( 153) = ( 0.5205632 0.4794368 0.0000000), wk = 0.0036765 k( 154) = ( 0.5308448 0.4691552 0.0000000), wk = 0.0036765 k( 155) = ( 0.5411264 0.4588736 0.0000000), wk = 0.0036765 k( 156) = ( 0.5514080 0.4485920 0.0000000), wk = 0.0036765 k( 157) = ( 0.5616896 0.4383104 0.0000000), wk = 0.0036765 k( 158) = ( 0.5719712 0.4280288 0.0000000), wk = 0.0036765 k( 159) = ( 0.5822528 0.4177472 0.0000000), wk = 0.0036765 k( 160) = ( 0.5925344 0.4074656 0.0000000), wk = 0.0036765 k( 161) = ( 0.6028161 0.3971840 0.0000000), wk = 0.0036765 k( 162) = ( 0.6130977 0.3869024 0.0000000), wk = 0.0036765 k( 163) = ( 0.6233793 0.3766207 0.0000000), wk = 0.0036765 k( 164) = ( 0.6336609 0.3663391 0.0000000), wk = 0.0036765 k( 165) = ( 0.3663391 -0.3663391 -0.0000000), wk = 0.0036765 k( 166) = ( 0.3558723 -0.3558723 -0.0000000), wk = 0.0036765 k( 167) = ( 0.3454055 -0.3454055 0.0000000), wk = 0.0036765 k( 168) = ( 0.3349386 -0.3349386 0.0000000), wk = 0.0036765 k( 169) = ( 0.3244718 -0.3244718 -0.0000000), wk = 0.0036765 k( 170) = ( 0.3140050 -0.3140050 -0.0000000), wk = 0.0036765 k( 171) = ( 0.3035381 -0.3035381 -0.0000000), wk = 0.0036765 k( 172) = ( 0.2930713 -0.2930713 0.0000000), wk = 0.0036765 k( 173) = ( 0.2826045 -0.2826045 -0.0000000), wk = 0.0036765 k( 174) = ( 0.2721377 -0.2721376 0.0000000), wk = 0.0036765 k( 175) = ( 0.2616708 -0.2616708 -0.0000000), wk = 0.0036765 k( 176) = ( 0.2512040 -0.2512040 -0.0000000), wk = 0.0036765 k( 177) = ( 0.2407372 -0.2407372 -0.0000000), wk = 0.0036765 k( 178) = ( 0.2302703 -0.2302703 -0.0000000), wk = 0.0036765 k( 179) = ( 0.2198035 -0.2198035 -0.0000000), wk = 0.0036765 k( 180) = ( 0.2093367 -0.2093367 -0.0000000), wk = 0.0036765 k( 181) = ( 0.1988698 -0.1988698 -0.0000000), wk = 0.0036765 k( 182) = ( 0.1884030 -0.1884030 0.0000000), wk = 0.0036765 k( 183) = ( 0.1779361 -0.1779361 -0.0000000), wk = 0.0036765 k( 184) = ( 0.1674693 -0.1674693 0.0000000), wk = 0.0036765 k( 185) = ( 0.1570025 -0.1570025 -0.0000000), wk = 0.0036765 k( 186) = ( 0.1465357 -0.1465357 0.0000000), wk = 0.0036765 k( 187) = ( 0.1360688 -0.1360688 -0.0000000), wk = 0.0036765 k( 188) = ( 0.1256020 -0.1256020 -0.0000000), wk = 0.0036765 k( 189) = ( 0.1151352 -0.1151352 -0.0000000), wk = 0.0036765 k( 190) = ( 0.1046683 -0.1046683 -0.0000000), wk = 0.0036765 k( 191) = ( 0.0942015 -0.0942015 0.0000000), wk = 0.0036765 k( 192) = ( 0.0837347 -0.0837347 0.0000000), wk = 0.0036765 k( 193) = ( 0.0732678 -0.0732678 0.0000000), wk = 0.0036765 k( 194) = ( 0.0628010 -0.0628010 -0.0000000), wk = 0.0036765 k( 195) = ( 0.0523342 -0.0523342 0.0000000), wk = 0.0036765 k( 196) = ( 0.0418673 -0.0418673 0.0000000), wk = 0.0036765 k( 197) = ( 0.0314005 -0.0314005 -0.0000000), wk = 0.0036765 k( 198) = ( 0.0209337 -0.0209337 0.0000000), wk = 0.0036765 k( 199) = ( 0.0104668 -0.0104668 -0.0000000), wk = 0.0036765 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 202) = ( 0.0172414 0.0000000 0.0000000), wk = 0.0036765 k( 203) = ( 0.0344828 0.0000000 0.0000000), wk = 0.0036765 k( 204) = ( 0.0517241 0.0000000 0.0000000), wk = 0.0036765 k( 205) = ( 0.0689655 0.0000000 0.0000000), wk = 0.0036765 k( 206) = ( 0.0862069 -0.0000000 0.0000000), wk = 0.0036765 k( 207) = ( 0.1034483 0.0000000 0.0000000), wk = 0.0036765 k( 208) = ( 0.1206897 0.0000000 0.0000000), wk = 0.0036765 k( 209) = ( 0.1379310 -0.0000000 0.0000000), wk = 0.0036765 k( 210) = ( 0.1551724 -0.0000000 0.0000000), wk = 0.0036765 k( 211) = ( 0.1724138 -0.0000000 0.0000000), wk = 0.0036765 k( 212) = ( 0.1896552 -0.0000000 0.0000000), wk = 0.0036765 k( 213) = ( 0.2068966 -0.0000000 0.0000000), wk = 0.0036765 k( 214) = ( 0.2241379 -0.0000000 0.0000000), wk = 0.0036765 k( 215) = ( 0.2413793 -0.0000000 0.0000000), wk = 0.0036765 k( 216) = ( 0.2586207 -0.0000000 0.0000000), wk = 0.0036765 k( 217) = ( 0.2758621 0.0000000 0.0000000), wk = 0.0036765 k( 218) = ( 0.2931034 0.0000000 0.0000000), wk = 0.0036765 k( 219) = ( 0.3103448 -0.0000000 0.0000000), wk = 0.0036765 k( 220) = ( 0.3275862 0.0000000 0.0000000), wk = 0.0036765 k( 221) = ( 0.3448276 -0.0000000 0.0000000), wk = 0.0036765 k( 222) = ( 0.3620690 -0.0000000 0.0000000), wk = 0.0036765 k( 223) = ( 0.3793103 -0.0000000 0.0000000), wk = 0.0036765 k( 224) = ( 0.3965517 0.0000000 0.0000000), wk = 0.0036765 k( 225) = ( 0.4137931 -0.0000000 0.0000000), wk = 0.0036765 k( 226) = ( 0.4310345 0.0000000 0.0000000), wk = 0.0036765 k( 227) = ( 0.4482759 -0.0000000 0.0000000), wk = 0.0036765 k( 228) = ( 0.4655172 0.0000000 0.0000000), wk = 0.0036765 k( 229) = ( 0.4827586 -0.0000000 0.0000000), wk = 0.0036765 k( 230) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036765 k( 231) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036765 k( 232) = ( 0.4878049 0.0000000 0.4878049), wk = 0.0036765 k( 233) = ( 0.4756098 0.0000000 0.4756098), wk = 0.0036765 k( 234) = ( 0.4634146 -0.0000000 0.4634146), wk = 0.0036765 k( 235) = ( 0.4512195 0.0000000 0.4512195), wk = 0.0036765 k( 236) = ( 0.4390244 0.0000000 0.4390244), wk = 0.0036765 k( 237) = ( 0.4268293 0.0000000 0.4268293), wk = 0.0036765 k( 238) = ( 0.4146341 0.0000000 0.4146341), wk = 0.0036765 k( 239) = ( 0.4024390 0.0000000 0.4024390), wk = 0.0036765 k( 240) = ( 0.3902439 0.0000000 0.3902439), wk = 0.0036765 k( 241) = ( 0.3780488 0.0000000 0.3780488), wk = 0.0036765 k( 242) = ( 0.3658537 0.0000000 0.3658537), wk = 0.0036765 k( 243) = ( 0.3536585 0.0000000 0.3536585), wk = 0.0036765 k( 244) = ( 0.3414634 -0.0000000 0.3414634), wk = 0.0036765 k( 245) = ( 0.3292683 -0.0000000 0.3292683), wk = 0.0036765 k( 246) = ( 0.3170732 -0.0000000 0.3170732), wk = 0.0036765 k( 247) = ( 0.3048781 -0.0000000 0.3048780), wk = 0.0036765 k( 248) = ( 0.2926829 -0.0000000 0.2926829), wk = 0.0036765 k( 249) = ( 0.2804878 0.0000000 0.2804878), wk = 0.0036765 k( 250) = ( 0.2682927 -0.0000000 0.2682927), wk = 0.0036765 k( 251) = ( 0.2560976 -0.0000000 0.2560976), wk = 0.0036765 k( 252) = ( 0.2439024 0.0000000 0.2439024), wk = 0.0036765 k( 253) = ( 0.2317073 0.0000000 0.2317073), wk = 0.0036765 k( 254) = ( 0.2195122 -0.0000000 0.2195122), wk = 0.0036765 k( 255) = ( 0.2073171 0.0000000 0.2073171), wk = 0.0036765 k( 256) = ( 0.1951219 0.0000000 0.1951219), wk = 0.0036765 k( 257) = ( 0.1829268 0.0000000 0.1829268), wk = 0.0036765 k( 258) = ( 0.1707317 -0.0000000 0.1707317), wk = 0.0036765 k( 259) = ( 0.1585366 -0.0000000 0.1585366), wk = 0.0036765 k( 260) = ( 0.1463415 -0.0000000 0.1463415), wk = 0.0036765 k( 261) = ( 0.1341463 -0.0000000 0.1341463), wk = 0.0036765 k( 262) = ( 0.1219512 0.0000000 0.1219512), wk = 0.0036765 k( 263) = ( 0.1097561 -0.0000000 0.1097561), wk = 0.0036765 k( 264) = ( 0.0975610 0.0000000 0.0975610), wk = 0.0036765 k( 265) = ( 0.0853658 -0.0000000 0.0853658), wk = 0.0036765 k( 266) = ( 0.0731707 -0.0000000 0.0731707), wk = 0.0036765 k( 267) = ( 0.0609756 0.0000000 0.0609756), wk = 0.0036765 k( 268) = ( 0.0487805 0.0000000 0.0487805), wk = 0.0036765 k( 269) = ( 0.0365854 0.0000000 0.0365854), wk = 0.0036765 k( 270) = ( 0.0243902 0.0000000 0.0243902), wk = 0.0036765 k( 271) = ( 0.0121951 0.0000000 0.0121951), wk = 0.0036765 k( 272) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 Dense grid: 113159 G-vectors FFT dimensions: ( 64, 64, 60) Smooth grid: 55607 G-vectors FFT dimensions: ( 54, 54, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.49 Mb ( 420, 76) NL pseudopotentials 0.64 Mb ( 210, 200) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 3141) G-vector shells 0.02 Mb ( 3016) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.95 Mb ( 420, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.46 Mb ( 200, 2, 76) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SbS2NF6.save/charge-density.dat Starting wfc are 80 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 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.9 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 7.8 secs Computing kpt #: 6 total cpu time spent up to now is 8.7 secs Computing kpt #: 7 total cpu time spent up to now is 9.7 secs Computing kpt #: 8 total cpu time spent up to now is 10.7 secs Computing kpt #: 9 total cpu time spent up to now is 11.7 secs Computing kpt #: 10 total cpu time spent up to now is 12.6 secs Computing kpt #: 11 total cpu time spent up to now is 13.6 secs Computing kpt #: 12 total cpu time spent up to now is 14.6 secs Computing kpt #: 13 total cpu time spent up to now is 15.6 secs Computing kpt #: 14 total cpu time spent up to now is 16.6 secs Computing kpt #: 15 total cpu time spent up to now is 17.6 secs Computing kpt #: 16 total cpu time spent up to now is 18.5 secs Computing kpt #: 17 total cpu time spent up to now is 19.5 secs Computing kpt #: 18 total cpu time spent up to now is 20.5 secs Computing kpt #: 19 total cpu time spent up to now is 21.5 secs Computing kpt #: 20 total cpu time spent up to now is 22.5 secs Computing kpt #: 21 total cpu time spent up to now is 23.5 secs Computing kpt #: 22 total cpu time spent up to now is 24.5 secs Computing kpt #: 23 total cpu time spent up to now is 25.6 secs Computing kpt #: 24 total cpu time spent up to now is 26.7 secs Computing kpt #: 25 total cpu time spent up to now is 27.9 secs Computing kpt #: 26 total cpu time spent up to now is 29.0 secs Computing kpt #: 27 total cpu time spent up to now is 30.2 secs Computing kpt #: 28 total cpu time spent up to now is 31.3 secs Computing kpt #: 29 total cpu time spent up to now is 32.4 secs Computing kpt #: 30 total cpu time spent up to now is 33.6 secs Computing kpt #: 31 total cpu time spent up to now is 34.7 secs Computing kpt #: 32 total cpu time spent up to now is 35.8 secs Computing kpt #: 33 total cpu time spent up to now is 36.8 secs Computing kpt #: 34 total cpu time spent up to now is 37.8 secs Computing kpt #: 35 total cpu time spent up to now is 38.8 secs Computing kpt #: 36 total cpu time spent up to now is 39.8 secs Computing kpt #: 37 total cpu time spent up to now is 40.8 secs Computing kpt #: 38 total cpu time spent up to now is 41.9 secs Computing kpt #: 39 total cpu time spent up to now is 43.0 secs Computing kpt #: 40 total cpu time spent up to now is 44.2 secs Computing kpt #: 41 total cpu time spent up to now is 45.3 secs Computing kpt #: 42 total cpu time spent up to now is 46.4 secs Computing kpt #: 43 total cpu time spent up to now is 47.6 secs Computing kpt #: 44 total cpu time spent up to now is 48.6 secs Computing kpt #: 45 total cpu time spent up to now is 49.6 secs Computing kpt #: 46 total cpu time spent up to now is 50.6 secs Computing kpt #: 47 total cpu time spent up to now is 51.6 secs Computing kpt #: 48 total cpu time spent up to now is 52.6 secs Computing kpt #: 49 total cpu time spent up to now is 53.6 secs Computing kpt #: 50 total cpu time spent up to now is 54.6 secs Computing kpt #: 51 total cpu time spent up to now is 55.6 secs Computing kpt #: 52 total cpu time spent up to now is 56.6 secs Computing kpt #: 53 total cpu time spent up to now is 57.7 secs Computing kpt #: 54 total cpu time spent up to now is 58.9 secs Computing kpt #: 55 total cpu time spent up to now is 60.0 secs Computing kpt #: 56 total cpu time spent up to now is 61.1 secs Computing kpt #: 57 total cpu time spent up to now is 62.3 secs Computing kpt #: 58 total cpu time spent up to now is 63.4 secs Computing kpt #: 59 total cpu time spent up to now is 64.6 secs Computing kpt #: 60 total cpu time spent up to now is 65.7 secs Computing kpt #: 61 total cpu time spent up to now is 66.8 secs Computing kpt #: 62 total cpu time spent up to now is 67.8 secs Computing kpt #: 63 total cpu time spent up to now is 68.8 secs Computing kpt #: 64 total cpu time spent up to now is 69.9 secs Computing kpt #: 65 total cpu time spent up to now is 70.9 secs Computing kpt #: 66 total cpu time spent up to now is 71.9 secs Computing kpt #: 67 total cpu time spent up to now is 72.9 secs Computing kpt #: 68 total cpu time spent up to now is 74.0 secs Computing kpt #: 69 total cpu time spent up to now is 75.0 secs Computing kpt #: 70 total cpu time spent up to now is 76.0 secs Computing kpt #: 71 total cpu time spent up to now is 77.2 secs Computing kpt #: 72 total cpu time spent up to now is 78.3 secs Computing kpt #: 73 total cpu time spent up to now is 79.3 secs Computing kpt #: 74 total cpu time spent up to now is 80.4 secs Computing kpt #: 75 total cpu time spent up to now is 81.4 secs Computing kpt #: 76 total cpu time spent up to now is 82.4 secs Computing kpt #: 77 total cpu time spent up to now is 83.4 secs Computing kpt #: 78 total cpu time spent up to now is 84.4 secs Computing kpt #: 79 total cpu time spent up to now is 85.4 secs Computing kpt #: 80 total cpu time spent up to now is 86.4 secs Computing kpt #: 81 total cpu time spent up to now is 87.5 secs Computing kpt #: 82 total cpu time spent up to now is 88.8 secs Computing kpt #: 83 total cpu time spent up to now is 89.8 secs Computing kpt #: 84 total cpu time spent up to now is 90.8 secs Computing kpt #: 85 total cpu time spent up to now is 91.8 secs Computing kpt #: 86 total cpu time spent up to now is 93.0 secs Computing kpt #: 87 total cpu time spent up to now is 94.0 secs Computing kpt #: 88 total cpu time spent up to now is 95.1 secs Computing kpt #: 89 total cpu time spent up to now is 96.1 secs Computing kpt #: 90 total cpu time spent up to now is 97.2 secs Computing kpt #: 91 total cpu time spent up to now is 98.4 secs Computing kpt #: 92 total cpu time spent up to now is 99.5 secs Computing kpt #: 93 total cpu time spent up to now is 100.7 secs Computing kpt #: 94 total cpu time spent up to now is 101.8 secs Computing kpt #: 95 total cpu time spent up to now is 102.9 secs Computing kpt #: 96 total cpu time spent up to now is 103.8 secs Computing kpt #: 97 total cpu time spent up to now is 104.9 secs Computing kpt #: 98 total cpu time spent up to now is 105.9 secs Computing kpt #: 99 total cpu time spent up to now is 106.9 secs Computing kpt #: 100 total cpu time spent up to now is 107.9 secs Computing kpt #: 101 total cpu time spent up to now is 108.9 secs Computing kpt #: 102 total cpu time spent up to now is 109.9 secs Computing kpt #: 103 total cpu time spent up to now is 110.9 secs Computing kpt #: 104 total cpu time spent up to now is 112.1 secs Computing kpt #: 105 total cpu time spent up to now is 113.1 secs Computing kpt #: 106 total cpu time spent up to now is 114.2 secs Computing kpt #: 107 total cpu time spent up to now is 115.4 secs Computing kpt #: 108 total cpu time spent up to now is 116.4 secs Computing kpt #: 109 total cpu time spent up to now is 117.5 secs Computing kpt #: 110 total cpu time spent up to now is 118.7 secs Computing kpt #: 111 total cpu time spent up to now is 119.8 secs Computing kpt #: 112 total cpu time spent up to now is 121.0 secs Computing kpt #: 113 total cpu time spent up to now is 122.1 secs Computing kpt #: 114 total cpu time spent up to now is 123.2 secs Computing kpt #: 115 total cpu time spent up to now is 124.4 secs Computing kpt #: 116 total cpu time spent up to now is 125.5 secs Computing kpt #: 117 total cpu time spent up to now is 126.7 secs Computing kpt #: 118 total cpu time spent up to now is 127.8 secs Computing kpt #: 119 total cpu time spent up to now is 129.0 secs Computing kpt #: 120 total cpu time spent up to now is 130.1 secs Computing kpt #: 121 total cpu time spent up to now is 131.1 secs Computing kpt #: 122 total cpu time spent up to now is 132.1 secs Computing kpt #: 123 total cpu time spent up to now is 133.3 secs Computing kpt #: 124 total cpu time spent up to now is 134.3 secs Computing kpt #: 125 total cpu time spent up to now is 135.5 secs Computing kpt #: 126 total cpu time spent up to now is 136.5 secs Computing kpt #: 127 total cpu time spent up to now is 137.5 secs Computing kpt #: 128 total cpu time spent up to now is 138.5 secs Computing kpt #: 129 total cpu time spent up to now is 139.5 secs Computing kpt #: 130 total cpu time spent up to now is 140.5 secs Computing kpt #: 131 total cpu time spent up to now is 141.5 secs Computing kpt #: 132 total cpu time spent up to now is 142.5 secs Computing kpt #: 133 total cpu time spent up to now is 143.7 secs Computing kpt #: 134 total cpu time spent up to now is 144.7 secs Computing kpt #: 135 total cpu time spent up to now is 145.8 secs Computing kpt #: 136 total cpu time spent up to now is 147.0 secs Computing kpt #: 137 total cpu time spent up to now is 148.1 secs Computing kpt #: 138 total cpu time spent up to now is 149.2 secs Computing kpt #: 139 total cpu time spent up to now is 150.4 secs Computing kpt #: 140 total cpu time spent up to now is 151.5 secs Computing kpt #: 141 total cpu time spent up to now is 152.7 secs Computing kpt #: 142 total cpu time spent up to now is 153.8 secs Computing kpt #: 143 total cpu time spent up to now is 155.0 secs Computing kpt #: 144 total cpu time spent up to now is 156.2 secs Computing kpt #: 145 total cpu time spent up to now is 157.3 secs Computing kpt #: 146 total cpu time spent up to now is 158.5 secs Computing kpt #: 147 total cpu time spent up to now is 159.6 secs Computing kpt #: 148 total cpu time spent up to now is 160.8 secs Computing kpt #: 149 total cpu time spent up to now is 161.9 secs Computing kpt #: 150 total cpu time spent up to now is 163.1 secs Computing kpt #: 151 total cpu time spent up to now is 164.0 secs Computing kpt #: 152 total cpu time spent up to now is 165.2 secs Computing kpt #: 153 total cpu time spent up to now is 166.2 secs Computing kpt #: 154 total cpu time spent up to now is 167.3 secs Computing kpt #: 155 total cpu time spent up to now is 168.4 secs Computing kpt #: 156 total cpu time spent up to now is 169.6 secs Computing kpt #: 157 total cpu time spent up to now is 170.7 secs Computing kpt #: 158 total cpu time spent up to now is 171.8 secs Computing kpt #: 159 total cpu time spent up to now is 173.0 secs Computing kpt #: 160 total cpu time spent up to now is 174.1 secs Computing kpt #: 161 total cpu time spent up to now is 175.2 secs Computing kpt #: 162 total cpu time spent up to now is 176.4 secs Computing kpt #: 163 total cpu time spent up to now is 177.5 secs Computing kpt #: 164 total cpu time spent up to now is 178.7 secs Computing kpt #: 165 total cpu time spent up to now is 179.8 secs Computing kpt #: 166 total cpu time spent up to now is 180.9 secs Computing kpt #: 167 total cpu time spent up to now is 182.1 secs Computing kpt #: 168 total cpu time spent up to now is 183.2 secs Computing kpt #: 169 total cpu time spent up to now is 184.4 secs Computing kpt #: 170 total cpu time spent up to now is 185.5 secs Computing kpt #: 171 total cpu time spent up to now is 186.5 secs Computing kpt #: 172 total cpu time spent up to now is 187.5 secs Computing kpt #: 173 total cpu time spent up to now is 188.4 secs Computing kpt #: 174 total cpu time spent up to now is 189.4 secs Computing kpt #: 175 total cpu time spent up to now is 190.4 secs Computing kpt #: 176 total cpu time spent up to now is 191.3 secs Computing kpt #: 177 total cpu time spent up to now is 192.3 secs Computing kpt #: 178 total cpu time spent up to now is 193.3 secs Computing kpt #: 179 total cpu time spent up to now is 194.2 secs Computing kpt #: 180 total cpu time spent up to now is 195.2 secs Computing kpt #: 181 total cpu time spent up to now is 196.2 secs Computing kpt #: 182 total cpu time spent up to now is 197.1 secs Computing kpt #: 183 total cpu time spent up to now is 198.1 secs Computing kpt #: 184 total cpu time spent up to now is 199.1 secs Computing kpt #: 185 total cpu time spent up to now is 200.0 secs Computing kpt #: 186 total cpu time spent up to now is 201.0 secs Computing kpt #: 187 total cpu time spent up to now is 202.0 secs Computing kpt #: 188 total cpu time spent up to now is 202.9 secs Computing kpt #: 189 total cpu time spent up to now is 203.9 secs Computing kpt #: 190 total cpu time spent up to now is 204.9 secs Computing kpt #: 191 total cpu time spent up to now is 205.8 secs Computing kpt #: 192 total cpu time spent up to now is 206.8 secs Computing kpt #: 193 total cpu time spent up to now is 207.7 secs Computing kpt #: 194 total cpu time spent up to now is 208.7 secs Computing kpt #: 195 total cpu time spent up to now is 209.7 secs Computing kpt #: 196 total cpu time spent up to now is 210.6 secs Computing kpt #: 197 total cpu time spent up to now is 211.6 secs Computing kpt #: 198 total cpu time spent up to now is 212.6 secs Computing kpt #: 199 total cpu time spent up to now is 213.5 secs Computing kpt #: 200 total cpu time spent up to now is 214.5 secs Computing kpt #: 201 total cpu time spent up to now is 215.4 secs Computing kpt #: 202 total cpu time spent up to now is 216.4 secs Computing kpt #: 203 total cpu time spent up to now is 217.3 secs Computing kpt #: 204 total cpu time spent up to now is 218.3 secs Computing kpt #: 205 total cpu time spent up to now is 219.3 secs Computing kpt #: 206 total cpu time spent up to now is 220.2 secs Computing kpt #: 207 total cpu time spent up to now is 221.2 secs Computing kpt #: 208 total cpu time spent up to now is 222.2 secs Computing kpt #: 209 total cpu time spent up to now is 223.1 secs Computing kpt #: 210 total cpu time spent up to now is 224.1 secs Computing kpt #: 211 total cpu time spent up to now is 225.1 secs Computing kpt #: 212 total cpu time spent up to now is 226.0 secs Computing kpt #: 213 total cpu time spent up to now is 227.0 secs Computing kpt #: 214 total cpu time spent up to now is 228.0 secs Computing kpt #: 215 total cpu time spent up to now is 228.9 secs Computing kpt #: 216 total cpu time spent up to now is 229.9 secs Computing kpt #: 217 total cpu time spent up to now is 230.9 secs Computing kpt #: 218 total cpu time spent up to now is 231.9 secs Computing kpt #: 219 total cpu time spent up to now is 232.9 secs Computing kpt #: 220 total cpu time spent up to now is 233.8 secs Computing kpt #: 221 total cpu time spent up to now is 234.8 secs Computing kpt #: 222 total cpu time spent up to now is 235.8 secs Computing kpt #: 223 total cpu time spent up to now is 236.8 secs Computing kpt #: 224 total cpu time spent up to now is 237.8 secs Computing kpt #: 225 total cpu time spent up to now is 238.7 secs Computing kpt #: 226 total cpu time spent up to now is 239.7 secs Computing kpt #: 227 total cpu time spent up to now is 240.7 secs Computing kpt #: 228 total cpu time spent up to now is 241.7 secs Computing kpt #: 229 total cpu time spent up to now is 242.6 secs Computing kpt #: 230 total cpu time spent up to now is 243.5 secs Computing kpt #: 231 total cpu time spent up to now is 244.7 secs Computing kpt #: 232 total cpu time spent up to now is 245.9 secs Computing kpt #: 233 total cpu time spent up to now is 247.0 secs Computing kpt #: 234 total cpu time spent up to now is 248.2 secs Computing kpt #: 235 total cpu time spent up to now is 249.4 secs Computing kpt #: 236 total cpu time spent up to now is 250.5 secs Computing kpt #: 237 total cpu time spent up to now is 251.7 secs Computing kpt #: 238 total cpu time spent up to now is 252.9 secs Computing kpt #: 239 total cpu time spent up to now is 254.0 secs Computing kpt #: 240 total cpu time spent up to now is 255.0 secs Computing kpt #: 241 total cpu time spent up to now is 256.0 secs Computing kpt #: 242 total cpu time spent up to now is 257.1 secs Computing kpt #: 243 total cpu time spent up to now is 258.1 secs Computing kpt #: 244 total cpu time spent up to now is 259.1 secs Computing kpt #: 245 total cpu time spent up to now is 260.1 secs Computing kpt #: 246 total cpu time spent up to now is 261.0 secs Computing kpt #: 247 total cpu time spent up to now is 262.0 secs Computing kpt #: 248 total cpu time spent up to now is 263.0 secs Computing kpt #: 249 total cpu time spent up to now is 264.0 secs Computing kpt #: 250 total cpu time spent up to now is 265.0 secs Computing kpt #: 251 total cpu time spent up to now is 265.9 secs Computing kpt #: 252 total cpu time spent up to now is 266.9 secs Computing kpt #: 253 total cpu time spent up to now is 267.8 secs Computing kpt #: 254 total cpu time spent up to now is 268.8 secs Computing kpt #: 255 total cpu time spent up to now is 269.8 secs Computing kpt #: 256 total cpu time spent up to now is 270.7 secs Computing kpt #: 257 total cpu time spent up to now is 271.7 secs Computing kpt #: 258 total cpu time spent up to now is 272.7 secs Computing kpt #: 259 total cpu time spent up to now is 273.6 secs Computing kpt #: 260 total cpu time spent up to now is 274.6 secs Computing kpt #: 261 total cpu time spent up to now is 275.5 secs Computing kpt #: 262 total cpu time spent up to now is 276.5 secs Computing kpt #: 263 total cpu time spent up to now is 277.5 secs Computing kpt #: 264 total cpu time spent up to now is 278.4 secs Computing kpt #: 265 total cpu time spent up to now is 279.4 secs Computing kpt #: 266 total cpu time spent up to now is 280.3 secs Computing kpt #: 267 total cpu time spent up to now is 281.3 secs Computing kpt #: 268 total cpu time spent up to now is 282.2 secs Computing kpt #: 269 total cpu time spent up to now is 283.2 secs Computing kpt #: 270 total cpu time spent up to now is 284.1 secs Computing kpt #: 271 total cpu time spent up to now is 285.1 secs Computing kpt #: 272 total cpu time spent up to now is 286.0 secs ethr = 1.56E-08, avg # of iterations = 19.9 total cpu time spent up to now is 286.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6959 PWs) bands (ev): -22.1770 -22.1770 -21.2027 -21.2027 -21.1652 -21.1652 -21.0880 -21.0880 -20.5141 -20.5141 -20.4311 -20.4311 -18.8094 -18.8094 -14.0936 -14.0936 -7.7092 -7.7092 -7.0627 -7.0627 -5.1068 -5.1068 -4.8013 -4.8013 -4.6143 -4.6143 -4.3850 -4.3850 -4.2252 -4.2252 -4.0539 -4.0539 -2.7406 -2.7406 -2.6392 -2.6392 -2.5943 -2.5943 -2.1101 -2.1101 -1.9398 -1.9398 -1.7366 -1.7366 -1.6904 -1.6904 -1.6288 -1.6288 -1.5231 -1.5231 -1.4325 -1.4325 -1.3464 -1.3464 -1.2249 -1.2249 -1.1105 -1.1105 -1.0649 -1.0649 0.0446 0.0446 0.1291 0.1291 3.1872 3.1872 3.3845 3.3845 5.2278 5.2278 6.8069 6.8069 8.4920 8.4920 9.3602 9.3602 k = 0.0152 0.0103-0.0002 ( 6959 PWs) bands (ev): -22.1769 -22.1769 -21.2028 -21.2028 -21.1653 -21.1653 -21.0880 -21.0880 -20.5140 -20.5140 -20.4312 -20.4312 -18.8094 -18.8094 -14.0936 -14.0936 -7.7082 -7.7082 -7.0637 -7.0637 -5.1064 -5.1064 -4.8013 -4.8013 -4.6145 -4.6145 -4.3852 -4.3852 -4.2256 -4.2256 -4.0539 -4.0539 -2.7401 -2.7401 -2.6385 -2.6385 -2.5937 -2.5937 -2.1102 -2.1102 -1.9400 -1.9400 -1.7369 -1.7369 -1.6904 -1.6904 -1.6289 -1.6289 -1.5237 -1.5237 -1.4331 -1.4331 -1.3466 -1.3466 -1.2244 -1.2244 -1.1100 -1.1100 -1.0648 -1.0648 0.0446 0.0446 0.1292 0.1292 3.1869 3.1869 3.3835 3.3835 5.2293 5.2293 6.8054 6.8054 8.4937 8.4937 9.3600 9.3600 k = 0.0303 0.0207-0.0004 ( 6959 PWs) bands (ev): -22.1767 -22.1767 -21.2030 -21.2030 -21.1655 -21.1655 -21.0880 -21.0880 -20.5138 -20.5138 -20.4312 -20.4312 -18.8093 -18.8093 -14.0938 -14.0938 -7.7053 -7.7053 -7.0666 -7.0666 -5.1053 -5.1053 -4.8012 -4.8012 -4.6149 -4.6149 -4.3858 -4.3858 -4.2268 -4.2268 -4.0539 -4.0539 -2.7387 -2.7387 -2.6363 -2.6363 -2.5917 -2.5917 -2.1105 -2.1105 -1.9408 -1.9408 -1.7377 -1.7377 -1.6906 -1.6906 -1.6292 -1.6292 -1.5257 -1.5257 -1.4348 -1.4348 -1.3473 -1.3473 -1.2230 -1.2230 -1.1086 -1.1086 -1.0647 -1.0647 0.0444 0.0444 0.1294 0.1294 3.1860 3.1860 3.3806 3.3806 5.2338 5.2338 6.8010 6.8010 8.4986 8.4986 9.3592 9.3592 k = 0.0455 0.0310-0.0006 ( 6958 PWs) bands (ev): -22.1764 -22.1764 -21.2033 -21.2033 -21.1658 -21.1658 -21.0880 -21.0880 -20.5135 -20.5135 -20.4313 -20.4313 -18.8093 -18.8093 -14.0940 -14.0940 -7.7004 -7.7004 -7.0713 -7.0713 -5.1036 -5.1036 -4.8012 -4.8012 -4.6156 -4.6156 -4.3867 -4.3867 -4.2288 -4.2288 -4.0539 -4.0539 -2.7363 -2.7363 -2.6327 -2.6327 -2.5885 -2.5885 -2.1111 -2.1111 -1.9420 -1.9420 -1.7392 -1.7392 -1.6909 -1.6909 -1.6297 -1.6297 -1.5290 -1.5290 -1.4377 -1.4377 -1.3483 -1.3483 -1.2208 -1.2208 -1.1063 -1.1063 -1.0645 -1.0645 0.0441 0.0441 0.1297 0.1297 3.1845 3.1845 3.3757 3.3757 5.2412 5.2412 6.7939 6.7939 8.5068 8.5068 9.3580 9.3580 k = 0.0606 0.0413-0.0007 ( 6960 PWs) bands (ev): -22.1759 -22.1759 -21.2037 -21.2037 -21.1662 -21.1662 -21.0880 -21.0880 -20.5130 -20.5130 -20.4314 -20.4314 -18.8093 -18.8093 -14.0943 -14.0943 -7.6936 -7.6936 -7.0779 -7.0779 -5.1013 -5.1013 -4.8013 -4.8013 -4.6166 -4.6166 -4.3880 -4.3880 -4.2315 -4.2315 -4.0539 -4.0539 -2.7330 -2.7330 -2.6277 -2.6277 -2.5841 -2.5841 -2.1118 -2.1118 -1.9438 -1.9438 -1.7412 -1.7412 -1.6913 -1.6913 -1.6304 -1.6304 -1.5334 -1.5334 -1.4416 -1.4416 -1.3497 -1.3497 -1.2177 -1.2177 -1.1031 -1.1031 -1.0643 -1.0643 0.0438 0.0438 0.1301 0.1301 3.1824 3.1824 3.3689 3.3689 5.2512 5.2512 6.7843 6.7843 8.5178 8.5178 9.3564 9.3564 k = 0.0758 0.0517-0.0009 ( 6960 PWs) bands (ev): -22.1754 -22.1754 -21.2042 -21.2042 -21.1667 -21.1667 -21.0880 -21.0880 -20.5125 -20.5125 -20.4316 -20.4316 -18.8093 -18.8093 -14.0947 -14.0947 -7.6849 -7.6849 -7.0861 -7.0861 -5.0986 -5.0986 -4.8013 -4.8013 -4.6179 -4.6179 -4.3897 -4.3897 -4.2347 -4.2347 -4.0536 -4.0536 -2.7289 -2.7289 -2.6214 -2.6214 -2.5786 -2.5786 -2.1127 -2.1127 -1.9461 -1.9461 -1.7437 -1.7437 -1.6918 -1.6918 -1.6313 -1.6313 -1.5390 -1.5390 -1.4465 -1.4465 -1.3513 -1.3513 -1.2138 -1.2138 -1.0992 -1.0992 -1.0640 -1.0640 0.0434 0.0434 0.1308 0.1308 3.1798 3.1798 3.3603 3.3603 5.2637 5.2637 6.7726 6.7726 8.5316 8.5316 9.3542 9.3542 k = 0.0909 0.0620-0.0011 ( 6953 PWs) bands (ev): -22.1747 -22.1747 -21.2049 -21.2049 -21.1673 -21.1673 -21.0880 -21.0880 -20.5118 -20.5118 -20.4318 -20.4318 -18.8092 -18.8092 -14.0952 -14.0952 -7.6745 -7.6745 -7.0959 -7.0959 -5.0956 -5.0956 -4.8015 -4.8015 -4.6196 -4.6196 -4.3916 -4.3916 -4.2383 -4.2383 -4.0531 -4.0531 -2.7241 -2.7241 -2.6138 -2.6138 -2.5722 -2.5722 -2.1138 -2.1138 -1.9490 -1.9490 -1.7466 -1.7466 -1.6924 -1.6924 -1.6323 -1.6323 -1.5457 -1.5457 -1.4524 -1.4524 -1.3531 -1.3531 -1.2092 -1.2092 -1.0947 -1.0947 -1.0636 -1.0636 0.0430 0.0430 0.1317 0.1317 3.1767 3.1767 3.3498 3.3498 5.2782 5.2782 6.7594 6.7594 8.5477 8.5477 9.3517 9.3517 k = 0.1061 0.0723-0.0013 ( 6955 PWs) bands (ev): -22.1739 -22.1739 -21.2056 -21.2056 -21.1681 -21.1681 -21.0880 -21.0880 -20.5110 -20.5110 -20.4320 -20.4320 -18.8092 -18.8092 -14.0958 -14.0958 -7.6624 -7.6624 -7.1071 -7.1071 -5.0926 -5.0926 -4.8017 -4.8017 -4.6216 -4.6216 -4.3937 -4.3937 -4.2422 -4.2422 -4.0523 -4.0523 -2.7186 -2.7186 -2.6051 -2.6051 -2.5649 -2.5649 -2.1150 -2.1150 -1.9526 -1.9526 -1.7500 -1.7500 -1.6930 -1.6930 -1.6336 -1.6336 -1.5531 -1.5531 -1.4591 -1.4591 -1.3551 -1.3551 -1.2040 -1.2040 -1.0899 -1.0899 -1.0630 -1.0630 0.0427 0.0427 0.1330 0.1330 3.1731 3.1731 3.3376 3.3376 5.2944 5.2944 6.7451 6.7451 8.5657 8.5657 9.3489 9.3489 k = 0.1212 0.0827-0.0015 ( 6951 PWs) bands (ev): -22.1730 -22.1730 -21.2065 -21.2065 -21.1689 -21.1689 -21.0880 -21.0880 -20.5102 -20.5102 -20.4323 -20.4323 -18.8091 -18.8091 -14.0964 -14.0964 -7.6486 -7.6486 -7.1195 -7.1195 -5.0897 -5.0897 -4.8021 -4.8021 -4.6240 -4.6240 -4.3961 -4.3961 -4.2462 -4.2462 -4.0511 -4.0511 -2.7126 -2.7126 -2.5955 -2.5955 -2.5570 -2.5570 -2.1163 -2.1163 -1.9568 -1.9568 -1.7537 -1.7537 -1.6936 -1.6936 -1.6351 -1.6351 -1.5613 -1.5613 -1.4667 -1.4667 -1.3571 -1.3571 -1.1982 -1.1982 -1.0850 -1.0850 -1.0620 -1.0620 0.0426 0.0426 0.1346 0.1346 3.1691 3.1691 3.3237 3.3237 5.3117 5.3117 6.7303 6.7303 8.5854 8.5854 9.3457 9.3457 k = 0.1364 0.0930-0.0017 ( 6945 PWs) bands (ev): -22.1720 -22.1720 -21.2074 -21.2074 -21.1698 -21.1698 -21.0880 -21.0880 -20.5092 -20.5092 -20.4326 -20.4326 -18.8091 -18.8091 -14.0971 -14.0971 -7.6334 -7.6334 -7.1330 -7.1330 -5.0872 -5.0872 -4.8028 -4.8028 -4.6268 -4.6268 -4.3985 -4.3985 -4.2499 -4.2499 -4.0494 -4.0494 -2.7061 -2.7061 -2.5850 -2.5850 -2.5486 -2.5486 -2.1175 -2.1175 -1.9618 -1.9618 -1.7577 -1.7577 -1.6941 -1.6941 -1.6367 -1.6367 -1.5700 -1.5700 -1.4751 -1.4751 -1.3591 -1.3591 -1.1919 -1.1919 -1.0808 -1.0808 -1.0601 -1.0601 0.0426 0.0426 0.1367 0.1367 3.1648 3.1648 3.3083 3.3083 5.3297 5.3297 6.7157 6.7157 8.6063 8.6063 9.3423 9.3423 k = 0.1515 0.1034-0.0019 ( 6945 PWs) bands (ev): -22.1709 -22.1709 -21.2085 -21.2085 -21.1708 -21.1708 -21.0880 -21.0880 -20.5081 -20.5081 -20.4329 -20.4329 -18.8090 -18.8090 -14.0979 -14.0979 -7.6168 -7.6168 -7.1473 -7.1473 -5.0853 -5.0853 -4.8037 -4.8037 -4.6300 -4.6300 -4.4009 -4.4009 -4.2534 -4.2534 -4.0472 -4.0472 -2.6992 -2.6992 -2.5738 -2.5738 -2.5399 -2.5399 -2.1188 -2.1188 -1.9674 -1.9674 -1.7619 -1.7619 -1.6947 -1.6947 -1.6386 -1.6386 -1.5790 -1.5790 -1.4842 -1.4842 -1.3611 -1.3611 -1.1852 -1.1852 -1.0779 -1.0779 -1.0567 -1.0567 0.0428 0.0428 0.1392 0.1392 3.1601 3.1601 3.2914 3.2914 5.3478 5.3478 6.7019 6.7019 8.6281 8.6281 9.3388 9.3388 k = 0.1667 0.1137-0.0020 ( 6948 PWs) bands (ev): -22.1697 -22.1697 -21.2096 -21.2096 -21.1719 -21.1719 -21.0880 -21.0880 -20.5070 -20.5070 -20.4332 -20.4332 -18.8090 -18.8090 -14.0987 -14.0987 -7.5991 -7.5991 -7.1621 -7.1621 -5.0841 -5.0841 -4.8049 -4.8049 -4.6336 -4.6336 -4.4033 -4.4033 -4.2563 -4.2563 -4.0445 -4.0445 -2.6920 -2.6920 -2.5622 -2.5622 -2.5311 -2.5311 -2.1199 -2.1199 -1.9738 -1.9738 -1.7662 -1.7662 -1.6952 -1.6952 -1.6407 -1.6407 -1.5881 -1.5881 -1.4939 -1.4939 -1.3630 -1.3630 -1.1783 -1.1783 -1.0767 -1.0767 -1.0516 -1.0516 0.0435 0.0435 0.1423 0.1423 3.1550 3.1550 3.2733 3.2733 5.3654 5.3654 6.6895 6.6895 8.6504 8.6504 9.3351 9.3351 k = 0.1818 0.1240-0.0022 ( 6951 PWs) bands (ev): -22.1685 -22.1685 -21.2108 -21.2108 -21.1730 -21.1730 -21.0879 -21.0879 -20.5059 -20.5059 -20.4336 -20.4336 -18.8089 -18.8089 -14.0995 -14.0995 -7.5804 -7.5804 -7.1772 -7.1772 -5.0840 -5.0840 -4.8065 -4.8065 -4.6375 -4.6375 -4.4054 -4.4054 -4.2585 -4.2585 -4.0413 -4.0413 -2.6846 -2.6846 -2.5505 -2.5505 -2.5222 -2.5222 -2.1209 -2.1209 -1.9807 -1.9807 -1.7703 -1.7703 -1.6956 -1.6956 -1.6431 -1.6431 -1.5971 -1.5971 -1.5041 -1.5041 -1.3649 -1.3649 -1.1712 -1.1712 -1.0769 -1.0769 -1.0454 -1.0454 0.0445 0.0445 0.1461 0.1461 3.1496 3.1496 3.2540 3.2540 5.3820 5.3820 6.6792 6.6792 8.6728 8.6728 9.3315 9.3315 k = 0.1970 0.1344-0.0024 ( 6957 PWs) bands (ev): -22.1672 -22.1672 -21.2121 -21.2121 -21.1742 -21.1742 -21.0879 -21.0879 -20.5046 -20.5046 -20.4340 -20.4340 -18.8089 -18.8089 -14.1004 -14.1004 -7.5609 -7.5609 -7.1924 -7.1924 -5.0852 -5.0852 -4.8083 -4.8083 -4.6418 -4.6418 -4.4071 -4.4071 -4.2600 -4.2600 -4.0375 -4.0375 -2.6771 -2.6771 -2.5392 -2.5392 -2.5131 -2.5131 -2.1215 -2.1215 -1.9884 -1.9884 -1.7742 -1.7742 -1.6959 -1.6959 -1.6458 -1.6458 -1.6058 -1.6058 -1.5149 -1.5149 -1.3666 -1.3666 -1.1640 -1.1640 -1.0780 -1.0780 -1.0384 -1.0384 0.0460 0.0460 0.1505 0.1505 3.1437 3.1437 3.2338 3.2338 5.3969 5.3969 6.6715 6.6715 8.6950 8.6950 9.3281 9.3281 k = 0.2121 0.1447-0.0026 ( 6958 PWs) bands (ev): -22.1658 -22.1658 -21.2134 -21.2134 -21.1754 -21.1754 -21.0878 -21.0878 -20.5034 -20.5034 -20.4344 -20.4344 -18.8088 -18.8088 -14.1013 -14.1013 -7.5411 -7.5411 -7.2072 -7.2072 -5.0877 -5.0877 -4.8106 -4.8106 -4.6464 -4.6464 -4.4083 -4.4083 -4.2607 -4.2607 -4.0332 -4.0332 -2.6697 -2.6697 -2.5288 -2.5288 -2.5037 -2.5037 -2.1218 -2.1218 -1.9966 -1.9966 -1.7777 -1.7777 -1.6961 -1.6961 -1.6489 -1.6489 -1.6140 -1.6140 -1.5261 -1.5261 -1.3682 -1.3682 -1.1568 -1.1568 -1.0798 -1.0798 -1.0313 -1.0313 0.0481 0.0481 0.1555 0.1555 3.1372 3.1372 3.2132 3.2132 5.4097 5.4097 6.6669 6.6669 8.7169 8.7169 9.3249 9.3249 k = 0.2273 0.1550-0.0028 ( 6951 PWs) bands (ev): -22.1644 -22.1644 -21.2147 -21.2147 -21.1767 -21.1767 -21.0877 -21.0877 -20.5021 -20.5021 -20.4348 -20.4348 -18.8088 -18.8088 -14.1022 -14.1022 -7.5213 -7.5213 -7.2212 -7.2212 -5.0917 -5.0917 -4.8131 -4.8131 -4.6513 -4.6513 -4.4089 -4.4089 -4.2606 -4.2606 -4.0283 -4.0283 -2.6623 -2.6623 -2.5200 -2.5200 -2.4936 -2.4936 -2.1216 -2.1216 -2.0054 -2.0054 -1.7806 -1.7806 -1.6961 -1.6961 -1.6525 -1.6525 -1.6216 -1.6216 -1.5376 -1.5376 -1.3698 -1.3698 -1.1498 -1.1498 -1.0820 -1.0820 -1.0241 -1.0241 0.0508 0.0508 0.1613 0.1613 3.1299 3.1299 3.1925 3.1925 5.4199 5.4199 6.6658 6.6658 8.7380 8.7380 9.3221 9.3221 k = 0.2424 0.1654-0.0030 ( 6949 PWs) bands (ev): -22.1630 -22.1630 -21.2161 -21.2161 -21.1780 -21.1780 -21.0876 -21.0876 -20.5008 -20.5008 -20.4352 -20.4352 -18.8087 -18.8087 -14.1031 -14.1031 -7.5021 -7.5021 -7.2340 -7.2340 -5.0974 -5.0974 -4.8158 -4.8158 -4.6563 -4.6563 -4.4089 -4.4089 -4.2597 -4.2597 -4.0230 -4.0230 -2.6553 -2.6553 -2.5130 -2.5130 -2.4829 -2.4829 -2.1208 -2.1208 -2.0146 -2.0146 -1.7828 -1.7828 -1.6960 -1.6960 -1.6567 -1.6567 -1.6285 -1.6285 -1.5494 -1.5494 -1.3712 -1.3712 -1.1431 -1.1431 -1.0845 -1.0845 -1.0171 -1.0171 0.0541 0.0541 0.1677 0.1677 3.1209 3.1209 3.1727 3.1727 5.4273 5.4273 6.6684 6.6684 8.7582 8.7582 9.3199 9.3199 k = 0.2576 0.1757-0.0032 ( 6950 PWs) bands (ev): -22.1616 -22.1616 -21.2175 -21.2175 -21.1792 -21.1792 -21.0875 -21.0875 -20.4995 -20.4995 -20.4356 -20.4356 -18.8087 -18.8087 -14.1040 -14.1040 -7.4840 -7.4840 -7.2448 -7.2448 -5.1046 -5.1046 -4.8187 -4.8187 -4.6615 -4.6615 -4.4081 -4.4081 -4.2581 -4.2581 -4.0172 -4.0172 -2.6485 -2.6485 -2.5077 -2.5077 -2.4717 -2.4717 -2.1192 -2.1192 -2.0242 -2.0242 -1.7842 -1.7842 -1.6958 -1.6958 -1.6613 -1.6613 -1.6348 -1.6348 -1.5614 -1.5614 -1.3725 -1.3725 -1.1369 -1.1369 -1.0870 -1.0870 -1.0104 -1.0104 0.0580 0.0580 0.1748 0.1748 3.1092 3.1092 3.1552 3.1552 5.4318 5.4318 6.6747 6.6747 8.7774 8.7774 9.3184 9.3184 k = 0.2727 0.1860-0.0033 ( 6945 PWs) bands (ev): -22.1602 -22.1602 -21.2189 -21.2189 -21.1805 -21.1805 -21.0874 -21.0874 -20.4982 -20.4982 -20.4360 -20.4360 -18.8086 -18.8086 -14.1049 -14.1049 -7.4681 -7.4681 -7.2528 -7.2528 -5.1134 -5.1134 -4.8216 -4.8216 -4.6668 -4.6668 -4.4067 -4.4067 -4.2559 -4.2559 -4.0110 -4.0110 -2.6423 -2.6423 -2.5040 -2.5040 -2.4606 -2.4606 -2.1166 -2.1166 -2.0341 -2.0341 -1.7848 -1.7848 -1.6955 -1.6955 -1.6662 -1.6662 -1.6405 -1.6405 -1.5732 -1.5732 -1.3737 -1.3737 -1.1315 -1.1315 -1.0893 -1.0893 -1.0041 -1.0041 0.0626 0.0626 0.1824 0.1824 3.0937 3.0937 3.1413 3.1413 5.4333 5.4333 6.6848 6.6848 8.7953 8.7953 9.3177 9.3177 k = 0.2879 0.1964-0.0035 ( 6953 PWs) bands (ev): -22.1588 -22.1588 -21.2203 -21.2203 -21.1817 -21.1817 -21.0873 -21.0873 -20.4969 -20.4969 -20.4364 -20.4364 -18.8086 -18.8086 -14.1057 -14.1057 -7.4553 -7.4553 -7.2571 -7.2571 -5.1237 -5.1237 -4.8245 -4.8245 -4.6720 -4.6720 -4.4047 -4.4047 -4.2532 -4.2532 -4.0046 -4.0046 -2.6368 -2.6368 -2.5015 -2.5015 -2.4500 -2.4500 -2.1131 -2.1131 -2.0440 -2.0440 -1.7848 -1.7848 -1.6952 -1.6952 -1.6710 -1.6710 -1.6461 -1.6461 -1.5847 -1.5847 -1.3749 -1.3749 -1.1275 -1.1275 -1.0909 -1.0909 -0.9983 -0.9983 0.0678 0.0678 0.1906 0.1906 3.0747 3.0747 3.1308 3.1308 5.4319 5.4319 6.6982 6.6982 8.8117 8.8117 9.3181 9.3181 k = 0.3030 0.2067-0.0037 ( 6949 PWs) bands (ev): -22.1574 -22.1574 -21.2216 -21.2216 -21.1829 -21.1829 -21.0872 -21.0872 -20.4957 -20.4957 -20.4368 -20.4368 -18.8085 -18.8085 -14.1066 -14.1066 -7.4465 -7.4465 -7.2570 -7.2570 -5.1352 -5.1352 -4.8273 -4.8273 -4.6773 -4.6773 -4.4022 -4.4022 -4.2501 -4.2501 -3.9978 -3.9978 -2.6321 -2.6321 -2.4998 -2.4998 -2.4401 -2.4401 -2.1085 -2.1085 -2.0539 -2.0539 -1.7844 -1.7844 -1.6950 -1.6950 -1.6754 -1.6754 -1.6520 -1.6520 -1.5956 -1.5956 -1.3759 -1.3759 -1.1252 -1.1252 -1.0913 -1.0913 -0.9930 -0.9930 0.0735 0.0735 0.1992 0.1992 3.0537 3.0537 3.1226 3.1226 5.4281 5.4281 6.7146 6.7146 8.8267 8.8267 9.3198 9.3198 k = 0.3182 0.2170-0.0039 ( 6946 PWs) bands (ev): -22.1561 -22.1561 -21.2230 -21.2230 -21.1841 -21.1841 -21.0871 -21.0871 -20.4945 -20.4945 -20.4372 -20.4372 -18.8085 -18.8085 -14.1074 -14.1074 -7.4420 -7.4420 -7.2522 -7.2522 -5.1478 -5.1478 -4.8300 -4.8300 -4.6823 -4.6823 -4.3992 -4.3992 -4.2467 -4.2467 -3.9910 -3.9910 -2.6282 -2.6282 -2.4988 -2.4988 -2.4311 -2.4311 -2.1026 -2.1026 -2.0635 -2.0635 -1.7839 -1.7839 -1.6951 -1.6951 -1.6788 -1.6788 -1.6588 -1.6588 -1.6053 -1.6053 -1.3769 -1.3769 -1.1251 -1.1251 -1.0901 -1.0901 -0.9883 -0.9883 0.0796 0.0796 0.2081 0.2081 3.0319 3.0319 3.1158 3.1158 5.4220 5.4220 6.7335 6.7335 8.8401 8.8401 9.3228 9.3228 k = 0.3333 0.2274-0.0041 ( 6951 PWs) bands (ev): -22.1548 -22.1548 -21.2242 -21.2242 -21.1852 -21.1852 -21.0869 -21.0869 -20.4934 -20.4934 -20.4375 -20.4375 -18.8085 -18.8085 -14.1081 -14.1081 -7.4415 -7.4415 -7.2430 -7.2430 -5.1611 -5.1611 -4.8324 -4.8324 -4.6873 -4.6873 -4.3960 -4.3960 -4.2432 -4.2432 -3.9841 -3.9841 -2.6254 -2.6254 -2.4982 -2.4982 -2.4231 -2.4231 -2.0956 -2.0956 -2.0725 -2.0725 -1.7837 -1.7837 -1.6956 -1.6956 -1.6810 -1.6810 -1.6666 -1.6666 -1.6135 -1.6135 -1.3779 -1.3779 -1.1267 -1.1267 -1.0876 -1.0876 -0.9841 -0.9841 0.0861 0.0861 0.2171 0.2171 3.0102 3.0102 3.1097 3.1097 5.4143 5.4143 6.7541 6.7541 8.8519 8.8519 9.3274 9.3274 k = 0.3485 0.2377-0.0043 ( 6951 PWs) bands (ev): -22.1536 -22.1536 -21.2255 -21.2255 -21.1863 -21.1863 -21.0868 -21.0868 -20.4923 -20.4923 -20.4379 -20.4379 -18.8084 -18.8084 -14.1088 -14.1088 -7.4441 -7.4441 -7.2307 -7.2307 -5.1749 -5.1749 -4.8346 -4.8346 -4.6919 -4.6919 -4.3926 -4.3926 -4.2395 -4.2395 -3.9773 -3.9773 -2.6236 -2.6236 -2.4978 -2.4978 -2.4163 -2.4163 -2.0875 -2.0875 -2.0809 -2.0809 -1.7841 -1.7841 -1.6965 -1.6965 -1.6820 -1.6820 -1.6753 -1.6753 -1.6201 -1.6201 -1.3787 -1.3787 -1.1296 -1.1296 -1.0843 -1.0843 -0.9804 -0.9804 0.0927 0.0927 0.2262 0.2262 2.9890 2.9890 3.1042 3.1042 5.4052 5.4052 6.7760 6.7760 8.8620 8.8620 9.3336 9.3336 k = 0.3636 0.2480-0.0045 ( 6952 PWs) bands (ev): -22.1525 -22.1525 -21.2266 -21.2266 -21.1873 -21.1873 -21.0867 -21.0867 -20.4913 -20.4913 -20.4382 -20.4382 -18.8084 -18.8084 -14.1095 -14.1095 -7.4488 -7.4488 -7.2165 -7.2165 -5.1888 -5.1888 -4.8366 -4.8366 -4.6963 -4.6963 -4.3892 -4.3892 -4.2359 -4.2359 -3.9706 -3.9706 -2.6228 -2.6228 -2.4975 -2.4975 -2.4106 -2.4106 -2.0886 -2.0886 -2.0782 -2.0782 -1.7855 -1.7855 -1.6985 -1.6985 -1.6855 -1.6855 -1.6803 -1.6803 -1.6251 -1.6251 -1.3795 -1.3795 -1.1331 -1.1331 -1.0807 -1.0807 -0.9773 -0.9773 0.0994 0.0994 0.2351 0.2351 2.9687 2.9687 3.0992 3.0992 5.3955 5.3955 6.7984 6.7984 8.8706 8.8706 9.3416 9.3416 k = 0.3788 0.2584-0.0046 ( 6951 PWs) bands (ev): -22.1514 -22.1514 -21.2277 -21.2277 -21.1882 -21.1882 -21.0866 -21.0866 -20.4904 -20.4904 -20.4385 -20.4385 -18.8084 -18.8084 -14.1101 -14.1101 -7.4546 -7.4546 -7.2014 -7.2014 -5.2024 -5.2024 -4.8384 -4.8384 -4.7004 -4.7004 -4.3858 -4.3858 -4.2323 -4.2323 -3.9642 -3.9642 -2.6228 -2.6228 -2.4972 -2.4972 -2.4059 -2.4059 -2.0953 -2.0953 -2.0683 -2.0683 -1.7879 -1.7879 -1.7045 -1.7045 -1.6901 -1.6901 -1.6798 -1.6798 -1.6287 -1.6287 -1.3802 -1.3802 -1.1368 -1.1368 -1.0771 -1.0771 -0.9747 -0.9747 0.1060 0.1060 0.2436 0.2436 2.9497 2.9497 3.0946 3.0946 5.3853 5.3853 6.8205 6.8205 8.8776 8.8776 9.3513 9.3513 k = 0.3939 0.2687-0.0048 ( 6954 PWs) bands (ev): -22.1505 -22.1505 -21.2286 -21.2286 -21.1890 -21.1890 -21.0865 -21.0865 -20.4896 -20.4896 -20.4388 -20.4388 -18.8084 -18.8084 -14.1106 -14.1106 -7.4607 -7.4607 -7.1864 -7.1864 -5.2154 -5.2154 -4.8399 -4.8399 -4.7041 -4.7041 -4.3825 -4.3825 -4.2290 -4.2290 -3.9583 -3.9583 -2.6235 -2.6235 -2.4969 -2.4969 -2.4022 -2.4022 -2.1010 -2.1010 -2.0578 -2.0578 -1.7911 -1.7911 -1.7148 -1.7148 -1.6906 -1.6906 -1.6786 -1.6786 -1.6314 -1.6314 -1.3808 -1.3808 -1.1406 -1.1406 -1.0738 -1.0738 -0.9725 -0.9725 0.1123 0.1123 0.2517 0.2517 2.9322 2.9322 3.0905 3.0905 5.3754 5.3754 6.8418 6.8418 8.8833 8.8833 9.3627 9.3627 k = 0.4091 0.2791-0.0050 ( 6956 PWs) bands (ev): -22.1496 -22.1496 -21.2295 -21.2295 -21.1897 -21.1897 -21.0864 -21.0864 -20.4888 -20.4888 -20.4390 -20.4390 -18.8083 -18.8083 -14.1111 -14.1111 -7.4668 -7.4668 -7.1721 -7.1721 -5.2275 -5.2275 -4.8412 -4.8412 -4.7073 -4.7073 -4.3795 -4.3795 -4.2260 -4.2260 -3.9528 -3.9528 -2.6247 -2.6247 -2.4967 -2.4967 -2.3993 -2.3993 -2.1057 -2.1057 -2.0471 -2.0471 -1.7949 -1.7949 -1.7263 -1.7263 -1.6895 -1.6895 -1.6771 -1.6771 -1.6334 -1.6334 -1.3814 -1.3814 -1.1442 -1.1442 -1.0708 -1.0708 -0.9708 -0.9708 0.1181 0.1181 0.2591 0.2591 2.9166 2.9166 3.0869 3.0869 5.3659 5.3659 6.8617 6.8617 8.8877 8.8877 9.3755 9.3755 k = 0.4242 0.2894-0.0052 ( 6957 PWs) bands (ev): -22.1489 -22.1489 -21.2302 -21.2302 -21.1903 -21.1903 -21.0863 -21.0863 -20.4882 -20.4882 -20.4392 -20.4392 -18.8083 -18.8083 -14.1115 -14.1115 -7.4723 -7.4723 -7.1592 -7.1592 -5.2384 -5.2384 -4.8422 -4.8422 -4.7101 -4.7101 -4.3769 -4.3769 -4.2233 -4.2233 -3.9480 -3.9480 -2.6261 -2.6261 -2.4964 -2.4964 -2.3972 -2.3972 -2.1094 -2.1094 -2.0366 -2.0366 -1.7989 -1.7989 -1.7375 -1.7375 -1.6879 -1.6879 -1.6755 -1.6755 -1.6347 -1.6347 -1.3819 -1.3819 -1.1475 -1.1475 -1.0681 -1.0681 -0.9694 -0.9694 0.1234 0.1234 0.2657 0.2657 2.9029 2.9029 3.0837 3.0837 5.3573 5.3573 6.8795 6.8795 8.8910 8.8910 9.3896 9.3896 k = 0.4394 0.2997-0.0054 ( 6950 PWs) bands (ev): -22.1483 -22.1483 -21.2308 -21.2308 -21.1908 -21.1908 -21.0862 -21.0862 -20.4877 -20.4877 -20.4394 -20.4394 -18.8083 -18.8083 -14.1118 -14.1118 -7.4771 -7.4771 -7.1481 -7.1481 -5.2477 -5.2477 -4.8431 -4.8431 -4.7125 -4.7125 -4.3746 -4.3746 -4.2210 -4.2210 -3.9439 -3.9439 -2.6277 -2.6277 -2.4962 -2.4962 -2.3956 -2.3956 -2.1122 -2.1122 -2.0268 -2.0268 -1.8028 -1.8028 -1.7479 -1.7479 -1.6863 -1.6863 -1.6739 -1.6739 -1.6356 -1.6356 -1.3822 -1.3822 -1.1503 -1.1503 -1.0659 -1.0659 -0.9683 -0.9683 0.1279 0.1279 0.2713 0.2713 2.8914 2.8914 3.0811 3.0811 5.3499 5.3499 6.8949 6.8949 8.8934 8.8934 9.4044 9.4044 k = 0.4545 0.3101-0.0056 ( 6952 PWs) bands (ev): -22.1478 -22.1478 -21.2313 -21.2313 -21.1913 -21.1913 -21.0861 -21.0861 -20.4873 -20.4873 -20.4395 -20.4395 -18.8083 -18.8083 -14.1121 -14.1121 -7.4810 -7.4810 -7.1391 -7.1391 -5.2552 -5.2552 -4.8438 -4.8438 -4.7143 -4.7143 -4.3728 -4.3728 -4.2192 -4.2192 -3.9406 -3.9406 -2.6290 -2.6290 -2.4961 -2.4961 -2.3945 -2.3945 -2.1142 -2.1142 -2.0183 -2.0183 -1.8062 -1.8062 -1.7568 -1.7568 -1.6849 -1.6849 -1.6725 -1.6725 -1.6362 -1.6362 -1.3826 -1.3826 -1.1526 -1.1526 -1.0642 -1.0642 -0.9675 -0.9675 0.1315 0.1315 0.2759 0.2759 2.8823 2.8823 3.0790 3.0790 5.3438 5.3438 6.9072 6.9072 8.8951 8.8951 9.4189 9.4189 k = 0.4697 0.3204-0.0058 ( 6952 PWs) bands (ev): -22.1475 -22.1475 -21.2317 -21.2317 -21.1915 -21.1915 -21.0861 -21.0861 -20.4870 -20.4870 -20.4396 -20.4396 -18.8083 -18.8083 -14.1122 -14.1122 -7.4839 -7.4839 -7.1325 -7.1325 -5.2607 -5.2607 -4.8442 -4.8442 -4.7157 -4.7157 -4.3715 -4.3715 -4.2179 -4.2179 -3.9382 -3.9382 -2.6301 -2.6301 -2.4960 -2.4960 -2.3938 -2.3938 -2.1155 -2.1155 -2.0115 -2.0115 -1.8090 -1.8090 -1.7637 -1.7637 -1.6839 -1.6839 -1.6714 -1.6714 -1.6365 -1.6365 -1.3828 -1.3828 -1.1543 -1.1543 -1.0629 -1.0629 -0.9669 -0.9669 0.1342 0.1342 0.2792 0.2792 2.8757 2.8757 3.0775 3.0775 5.3394 5.3394 6.9163 6.9163 8.8962 8.8962 9.4319 9.4319 k = 0.4848 0.3307-0.0059 ( 6950 PWs) bands (ev): -22.1472 -22.1472 -21.2319 -21.2319 -21.1917 -21.1917 -21.0861 -21.0861 -20.4868 -20.4868 -20.4397 -20.4397 -18.8083 -18.8083 -14.1124 -14.1124 -7.4856 -7.4856 -7.1285 -7.1285 -5.2641 -5.2641 -4.8445 -4.8445 -4.7165 -4.7165 -4.3707 -4.3707 -4.2171 -4.2171 -3.9368 -3.9368 -2.6308 -2.6308 -2.4960 -2.4960 -2.3934 -2.3934 -2.1163 -2.1163 -2.0072 -2.0072 -1.8107 -1.8107 -1.7681 -1.7681 -1.6833 -1.6833 -1.6708 -1.6708 -1.6367 -1.6367 -1.3829 -1.3829 -1.1553 -1.1553 -1.0622 -1.0622 -0.9666 -0.9666 0.1358 0.1358 0.2812 0.2812 2.8717 2.8717 3.0765 3.0765 5.3366 5.3366 6.9219 6.9219 8.8968 8.8968 9.4413 9.4413 k = 0.5000 0.3411-0.0061 ( 6936 PWs) bands (ev): -22.1472 -22.1472 -21.2319 -21.2319 -21.1918 -21.1918 -21.0861 -21.0861 -20.4867 -20.4867 -20.4397 -20.4397 -18.8083 -18.8083 -14.1124 -14.1124 -7.4862 -7.4862 -7.1271 -7.1271 -5.2652 -5.2652 -4.8446 -4.8446 -4.7167 -4.7167 -4.3705 -4.3705 -4.2168 -4.2168 -3.9363 -3.9363 -2.6311 -2.6311 -2.4959 -2.4959 -2.3932 -2.3932 -2.1165 -2.1165 -2.0057 -2.0057 -1.8113 -1.8113 -1.7696 -1.7696 -1.6830 -1.6830 -1.6705 -1.6705 -1.6368 -1.6368 -1.3829 -1.3829 -1.1556 -1.1556 -1.0619 -1.0619 -0.9665 -0.9665 0.1364 0.1364 0.2818 0.2818 2.8704 2.8704 3.0762 3.0762 5.3357 5.3357 6.9237 6.9237 8.8970 8.8970 9.4448 9.4448 k = 0.5000 0.3411-0.0061 ( 6936 PWs) bands (ev): -22.1472 -22.1472 -21.2319 -21.2319 -21.1918 -21.1918 -21.0861 -21.0861 -20.4867 -20.4867 -20.4397 -20.4397 -18.8083 -18.8083 -14.1124 -14.1124 -7.4862 -7.4862 -7.1271 -7.1271 -5.2652 -5.2652 -4.8446 -4.8446 -4.7167 -4.7167 -4.3705 -4.3705 -4.2168 -4.2168 -3.9363 -3.9363 -2.6311 -2.6311 -2.4959 -2.4959 -2.3932 -2.3932 -2.1165 -2.1165 -2.0057 -2.0057 -1.8113 -1.8113 -1.7696 -1.7696 -1.6830 -1.6830 -1.6705 -1.6705 -1.6368 -1.6368 -1.3829 -1.3829 -1.1556 -1.1556 -1.0619 -1.0619 -0.9665 -0.9665 0.1364 0.1364 0.2818 0.2818 2.8704 2.8704 3.0762 3.0762 5.3357 5.3357 6.9237 6.9237 8.8970 8.8970 9.4448 9.4448 k = 0.5002 0.3412 0.0121 ( 6946 PWs) bands (ev): -22.1471 -22.1471 -21.2319 -21.2319 -21.1918 -21.1918 -21.0862 -21.0862 -20.4867 -20.4867 -20.4397 -20.4397 -18.8083 -18.8083 -14.1124 -14.1124 -7.4860 -7.4860 -7.1273 -7.1273 -5.2651 -5.2651 -4.8445 -4.8445 -4.7168 -4.7168 -4.3704 -4.3704 -4.2168 -4.2168 -3.9371 -3.9371 -2.6305 -2.6305 -2.4955 -2.4955 -2.3931 -2.3931 -2.1165 -2.1165 -2.0057 -2.0057 -1.8117 -1.8117 -1.7699 -1.7699 -1.6829 -1.6829 -1.6705 -1.6705 -1.6369 -1.6369 -1.3838 -1.3838 -1.1556 -1.1556 -1.0616 -1.0616 -0.9664 -0.9664 0.1365 0.1365 0.2818 0.2818 2.8705 2.8705 3.0761 3.0761 5.3370 5.3370 6.9229 6.9229 8.8960 8.8960 9.4450 9.4450 k = 0.5003 0.3413 0.0303 ( 6945 PWs) bands (ev): -22.1468 -22.1468 -21.2319 -21.2319 -21.1918 -21.1918 -21.0865 -21.0865 -20.4867 -20.4867 -20.4397 -20.4397 -18.8083 -18.8083 -14.1124 -14.1124 -7.4854 -7.4854 -7.1278 -7.1278 -5.2648 -5.2648 -4.8440 -4.8440 -4.7169 -4.7169 -4.3701 -4.3701 -4.2169 -4.2169 -3.9394 -3.9394 -2.6287 -2.6287 -2.4942 -2.4942 -2.3927 -2.3927 -2.1165 -2.1165 -2.0056 -2.0056 -1.8127 -1.8127 -1.7707 -1.7707 -1.6827 -1.6827 -1.6702 -1.6702 -1.6372 -1.6372 -1.3864 -1.3864 -1.1557 -1.1557 -1.0604 -1.0604 -0.9661 -0.9661 0.1366 0.1366 0.2816 0.2816 2.8711 2.8711 3.0758 3.0758 5.3408 5.3408 6.9206 6.9206 8.8930 8.8930 9.4459 9.4459 k = 0.5005 0.3414 0.0485 ( 6948 PWs) bands (ev): -22.1465 -22.1465 -21.2318 -21.2318 -21.1917 -21.1917 -21.0871 -21.0871 -20.4868 -20.4868 -20.4398 -20.4398 -18.8083 -18.8083 -14.1125 -14.1125 -7.4843 -7.4843 -7.1285 -7.1285 -5.2642 -5.2642 -4.8433 -4.8433 -4.7172 -4.7172 -4.3696 -4.3696 -4.2170 -4.2170 -3.9432 -3.9432 -2.6257 -2.6257 -2.4921 -2.4921 -2.3920 -2.3920 -2.1164 -2.1164 -2.0055 -2.0055 -1.8145 -1.8145 -1.7722 -1.7722 -1.6824 -1.6824 -1.6697 -1.6697 -1.6378 -1.6378 -1.3907 -1.3907 -1.1557 -1.1557 -1.0585 -1.0585 -0.9655 -0.9655 0.1369 0.1369 0.2814 0.2814 2.8719 2.8719 3.0753 3.0753 5.3471 5.3471 6.9166 6.9166 8.8881 8.8881 9.4479 9.4479 k = 0.5006 0.3415 0.0667 ( 6942 PWs) bands (ev): -22.1459 -22.1459 -21.2317 -21.2317 -21.1917 -21.1917 -21.0878 -21.0878 -20.4868 -20.4868 -20.4398 -20.4398 -18.8083 -18.8083 -14.1125 -14.1125 -7.4828 -7.4828 -7.1296 -7.1296 -5.2634 -5.2634 -4.8423 -4.8423 -4.7176 -4.7176 -4.3691 -4.3691 -4.2172 -4.2172 -3.9484 -3.9484 -2.6215 -2.6215 -2.4892 -2.4892 -2.3910 -2.3910 -2.1163 -2.1163 -2.0053 -2.0053 -1.8169 -1.8169 -1.7742 -1.7742 -1.6823 -1.6823 -1.6689 -1.6689 -1.6384 -1.6384 -1.3966 -1.3966 -1.1557 -1.1557 -1.0559 -1.0559 -0.9648 -0.9648 0.1373 0.1373 0.2810 0.2810 2.8731 2.8731 3.0745 3.0745 5.3558 5.3558 6.9111 6.9111 8.8815 8.8815 9.4513 9.4513 k = 0.5008 0.3416 0.0850 ( 6934 PWs) bands (ev): -22.1452 -22.1452 -21.2316 -21.2316 -21.1916 -21.1916 -21.0888 -21.0888 -20.4868 -20.4868 -20.4399 -20.4399 -18.8083 -18.8083 -14.1126 -14.1126 -7.4809 -7.4809 -7.1310 -7.1310 -5.2625 -5.2625 -4.8409 -4.8409 -4.7180 -4.7180 -4.3684 -4.3684 -4.2173 -4.2173 -3.9551 -3.9551 -2.6162 -2.6162 -2.4854 -2.4854 -2.3897 -2.3897 -2.1162 -2.1162 -2.0050 -2.0050 -1.8201 -1.8201 -1.7767 -1.7767 -1.6826 -1.6826 -1.6677 -1.6677 -1.6391 -1.6391 -1.4041 -1.4041 -1.1557 -1.1557 -1.0525 -1.0525 -0.9639 -0.9639 0.1379 0.1379 0.2805 0.2805 2.8747 2.8747 3.0736 3.0736 5.3670 5.3670 6.9041 6.9041 8.8733 8.8733 9.4566 9.4566 k = 0.5009 0.3417 0.1032 ( 6930 PWs) bands (ev): -22.1444 -22.1444 -21.2315 -21.2315 -21.1915 -21.1915 -21.0899 -21.0899 -20.4869 -20.4869 -20.4400 -20.4400 -18.8083 -18.8083 -14.1126 -14.1126 -7.4786 -7.4786 -7.1327 -7.1327 -5.2614 -5.2614 -4.8392 -4.8392 -4.7186 -4.7186 -4.3676 -4.3676 -4.2174 -4.2174 -3.9631 -3.9631 -2.6099 -2.6099 -2.4808 -2.4808 -2.3882 -2.3882 -2.1159 -2.1159 -2.0047 -2.0047 -1.8239 -1.8239 -1.7798 -1.7798 -1.6834 -1.6834 -1.6661 -1.6661 -1.6396 -1.6396 -1.4130 -1.4130 -1.1558 -1.1558 -1.0486 -1.0486 -0.9628 -0.9628 0.1385 0.1385 0.2800 0.2800 2.8765 2.8765 3.0726 3.0726 5.3805 5.3805 6.8955 6.8955 8.8636 8.8636 9.4640 9.4640 k = 0.5011 0.3418 0.1214 ( 6936 PWs) bands (ev): -22.1434 -22.1434 -21.2314 -21.2314 -21.1914 -21.1914 -21.0912 -21.0912 -20.4869 -20.4869 -20.4401 -20.4401 -18.8082 -18.8082 -14.1127 -14.1127 -7.4760 -7.4760 -7.1346 -7.1346 -5.2601 -5.2601 -4.8371 -4.8371 -4.7192 -4.7192 -4.3669 -4.3669 -4.2174 -4.2174 -3.9723 -3.9723 -2.6026 -2.6026 -2.4754 -2.4754 -2.3864 -2.3864 -2.1156 -2.1156 -2.0043 -2.0043 -1.8284 -1.8284 -1.7834 -1.7834 -1.6846 -1.6846 -1.6646 -1.6646 -1.6396 -1.6396 -1.4233 -1.4233 -1.1559 -1.1559 -1.0440 -1.0440 -0.9616 -0.9616 0.1392 0.1392 0.2794 0.2794 2.8786 2.8786 3.0713 3.0713 5.3963 5.3963 6.8855 6.8855 8.8526 8.8526 9.4734 9.4734 k = 0.5012 0.3419 0.1396 ( 6930 PWs) bands (ev): -22.1423 -22.1423 -21.2312 -21.2312 -21.1913 -21.1913 -21.0927 -21.0927 -20.4870 -20.4870 -20.4402 -20.4402 -18.8082 -18.8082 -14.1128 -14.1128 -7.4730 -7.4730 -7.1368 -7.1368 -5.2588 -5.2588 -4.8345 -4.8345 -4.7199 -4.7199 -4.3663 -4.3663 -4.2174 -4.2174 -3.9826 -3.9826 -2.5943 -2.5943 -2.4692 -2.4692 -2.3844 -2.3844 -2.1151 -2.1151 -2.0038 -2.0038 -1.8336 -1.8336 -1.7875 -1.7875 -1.6864 -1.6864 -1.6636 -1.6636 -1.6388 -1.6388 -1.4349 -1.4349 -1.1560 -1.1560 -1.0390 -1.0390 -0.9602 -0.9602 0.1401 0.1401 0.2787 0.2787 2.8810 2.8810 3.0700 3.0700 5.4143 5.4143 6.8739 6.8739 8.8406 8.8406 9.4848 9.4848 k = 0.5014 0.3420 0.1578 ( 6926 PWs) bands (ev): -22.1411 -22.1411 -21.2310 -21.2310 -21.1912 -21.1912 -21.0943 -21.0943 -20.4871 -20.4871 -20.4403 -20.4403 -18.8082 -18.8082 -14.1129 -14.1129 -7.4696 -7.4696 -7.1393 -7.1393 -5.2574 -5.2574 -4.8315 -4.8315 -4.7207 -4.7207 -4.3657 -4.3657 -4.2172 -4.2172 -3.9940 -3.9940 -2.5852 -2.5852 -2.4622 -2.4622 -2.3821 -2.3821 -2.1144 -2.1144 -2.0033 -2.0033 -1.8395 -1.8395 -1.7920 -1.7920 -1.6887 -1.6887 -1.6635 -1.6635 -1.6367 -1.6367 -1.4476 -1.4476 -1.1561 -1.1561 -1.0335 -1.0335 -0.9587 -0.9587 0.1410 0.1410 0.2779 0.2779 2.8836 2.8836 3.0685 3.0685 5.4344 5.4344 6.8610 6.8610 8.8277 8.8277 9.4980 9.4980 k = 0.5015 0.3421 0.1760 ( 6930 PWs) bands (ev): -22.1398 -22.1398 -21.2309 -21.2309 -21.1911 -21.1911 -21.0960 -21.0960 -20.4871 -20.4871 -20.4405 -20.4405 -18.8082 -18.8082 -14.1130 -14.1130 -7.4660 -7.4660 -7.1419 -7.1419 -5.2560 -5.2560 -4.8280 -4.8280 -4.7215 -4.7215 -4.3654 -4.3654 -4.2169 -4.2169 -4.0062 -4.0062 -2.5753 -2.5753 -2.4545 -2.4545 -2.3795 -2.3795 -2.1134 -2.1134 -2.0026 -2.0026 -1.8461 -1.8461 -1.7969 -1.7969 -1.6916 -1.6916 -1.6645 -1.6645 -1.6333 -1.6333 -1.4611 -1.4611 -1.1563 -1.1563 -1.0276 -1.0276 -0.9572 -0.9572 0.1421 0.1421 0.2771 0.2771 2.8865 2.8865 3.0670 3.0670 5.4565 5.4565 6.8467 6.8467 8.8141 8.8141 9.5126 9.5126 k = 0.5017 0.3422 0.1943 ( 6933 PWs) bands (ev): -22.1384 -22.1384 -21.2307 -21.2307 -21.1910 -21.1910 -21.0978 -21.0978 -20.4872 -20.4872 -20.4406 -20.4406 -18.8082 -18.8082 -14.1131 -14.1131 -7.4621 -7.4621 -7.1448 -7.1448 -5.2546 -5.2546 -4.8239 -4.8239 -4.7224 -4.7224 -4.3654 -4.3654 -4.2164 -4.2164 -4.0191 -4.0191 -2.5648 -2.5648 -2.4461 -2.4461 -2.3768 -2.3768 -2.1123 -2.1123 -2.0019 -2.0019 -1.8533 -1.8533 -1.8022 -1.8022 -1.6951 -1.6951 -1.6666 -1.6666 -1.6288 -1.6288 -1.4754 -1.4754 -1.1566 -1.1566 -1.0215 -1.0215 -0.9555 -0.9555 0.1432 0.1432 0.2762 0.2762 2.8895 2.8895 3.0654 3.0654 5.4804 5.4804 6.8310 6.8310 8.8000 8.8000 9.5285 9.5285 k = 0.5018 0.3423 0.2125 ( 6935 PWs) bands (ev): -22.1370 -22.1370 -21.2306 -21.2306 -21.1909 -21.1909 -21.0997 -21.0997 -20.4873 -20.4873 -20.4408 -20.4408 -18.8082 -18.8082 -14.1132 -14.1132 -7.4579 -7.4579 -7.1479 -7.1479 -5.2533 -5.2533 -4.8193 -4.8193 -4.7233 -4.7233 -4.3657 -4.3657 -4.2157 -4.2157 -4.0327 -4.0327 -2.5537 -2.5537 -2.4370 -2.4370 -2.3738 -2.3738 -2.1109 -2.1109 -2.0010 -2.0010 -1.8611 -1.8611 -1.8077 -1.8077 -1.6992 -1.6992 -1.6694 -1.6694 -1.6235 -1.6235 -1.4901 -1.4901 -1.1568 -1.1568 -1.0151 -1.0151 -0.9539 -0.9539 0.1443 0.1443 0.2753 0.2753 2.8927 2.8927 3.0637 3.0637 5.5061 5.5061 6.8140 6.8140 8.7855 8.7855 9.5451 9.5451 k = 0.5020 0.3424 0.2307 ( 6932 PWs) bands (ev): -22.1354 -22.1354 -21.2304 -21.2304 -21.1907 -21.1907 -21.1017 -21.1017 -20.4874 -20.4874 -20.4410 -20.4410 -18.8081 -18.8081 -14.1133 -14.1133 -7.4535 -7.4535 -7.1512 -7.1512 -5.2520 -5.2520 -4.8141 -4.8141 -4.7242 -4.7242 -4.3664 -4.3664 -4.2150 -4.2150 -4.0465 -4.0465 -2.5421 -2.5421 -2.4273 -2.4273 -2.3706 -2.3706 -2.1092 -2.1092 -2.0000 -2.0000 -1.8694 -1.8694 -1.8135 -1.8135 -1.7041 -1.7041 -1.6729 -1.6729 -1.6177 -1.6177 -1.5051 -1.5051 -1.1572 -1.1572 -1.0086 -1.0086 -0.9521 -0.9521 0.1456 0.1456 0.2744 0.2744 2.8960 2.8960 3.0621 3.0621 5.5335 5.5335 6.7957 6.7957 8.7709 8.7709 9.5619 9.5619 k = 0.5021 0.3425 0.2489 ( 6930 PWs) bands (ev): -22.1339 -22.1339 -21.2303 -21.2303 -21.1906 -21.1906 -21.1036 -21.1036 -20.4875 -20.4875 -20.4412 -20.4412 -18.8081 -18.8081 -14.1135 -14.1135 -7.4489 -7.4489 -7.1546 -7.1546 -5.2509 -5.2509 -4.8083 -4.8083 -4.7252 -4.7252 -4.3676 -4.3676 -4.2141 -4.2141 -4.0606 -4.0606 -2.5302 -2.5302 -2.4169 -2.4169 -2.3671 -2.3671 -2.1072 -2.1072 -1.9990 -1.9990 -1.8783 -1.8783 -1.8195 -1.8195 -1.7099 -1.7099 -1.6770 -1.6770 -1.6115 -1.6115 -1.5199 -1.5199 -1.1575 -1.1575 -1.0020 -1.0020 -0.9503 -0.9503 0.1468 0.1468 0.2734 0.2734 2.8994 2.8994 3.0604 3.0604 5.5623 5.5623 6.7762 6.7762 8.7562 8.7562 9.5786 9.5786 k = 0.5023 0.3426 0.2671 ( 6928 PWs) bands (ev): -22.1323 -22.1323 -21.2302 -21.2302 -21.1905 -21.1905 -21.1056 -21.1056 -20.4876 -20.4876 -20.4414 -20.4414 -18.8081 -18.8081 -14.1136 -14.1136 -7.4441 -7.4441 -7.1581 -7.1581 -5.2499 -5.2499 -4.8019 -4.8019 -4.7261 -4.7261 -4.3693 -4.3693 -4.2133 -4.2133 -4.0746 -4.0746 -2.5180 -2.5180 -2.4060 -2.4060 -2.3633 -2.3633 -2.1050 -2.1050 -1.9978 -1.9978 -1.8877 -1.8877 -1.8256 -1.8256 -1.7168 -1.7168 -1.6815 -1.6815 -1.6052 -1.6052 -1.5342 -1.5342 -1.1580 -1.1580 -0.9954 -0.9954 -0.9485 -0.9485 0.1482 0.1482 0.2725 0.2725 2.9029 2.9029 3.0588 3.0588 5.5924 5.5924 6.7556 6.7556 8.7416 8.7416 9.5944 9.5944 k = 0.5024 0.3427 0.2853 ( 6929 PWs) bands (ev): -22.1306 -22.1306 -21.2301 -21.2301 -21.1904 -21.1904 -21.1075 -21.1075 -20.4877 -20.4877 -20.4415 -20.4415 -18.8081 -18.8081 -14.1137 -14.1137 -7.4393 -7.4393 -7.1617 -7.1617 -5.2490 -5.2490 -4.7949 -4.7949 -4.7269 -4.7269 -4.3715 -4.3715 -4.2127 -4.2127 -4.0883 -4.0883 -2.5057 -2.5057 -2.3948 -2.3948 -2.3591 -2.3591 -2.1024 -2.1024 -1.9966 -1.9966 -1.8975 -1.8975 -1.8317 -1.8317 -1.7251 -1.7251 -1.6863 -1.6863 -1.5990 -1.5990 -1.5476 -1.5476 -1.1584 -1.1584 -0.9890 -0.9890 -0.9467 -0.9467 0.1495 0.1495 0.2715 0.2715 2.9064 2.9064 3.0572 3.0572 5.6236 5.6236 6.7338 6.7338 8.7272 8.7272 9.6089 9.6089 k = 0.5026 0.3428 0.3036 ( 6914 PWs) bands (ev): -22.1290 -22.1290 -21.2301 -21.2301 -21.1903 -21.1903 -21.1094 -21.1094 -20.4878 -20.4878 -20.4417 -20.4417 -18.8081 -18.8081 -14.1138 -14.1138 -7.4344 -7.4344 -7.1653 -7.1653 -5.2483 -5.2483 -4.7874 -4.7874 -4.7277 -4.7277 -4.3743 -4.3743 -4.2124 -4.2124 -4.1013 -4.1013 -2.4934 -2.4934 -2.3836 -2.3836 -2.3541 -2.3541 -2.0995 -2.0995 -1.9953 -1.9953 -1.9076 -1.9076 -1.8378 -1.8378 -1.7349 -1.7349 -1.6913 -1.6913 -1.5935 -1.5935 -1.5593 -1.5593 -1.1589 -1.1589 -0.9828 -0.9828 -0.9448 -0.9448 0.1508 0.1508 0.2706 0.2706 2.9099 2.9099 3.0557 3.0557 5.6559 5.6559 6.7110 6.7110 8.7131 8.7131 9.6213 9.6213 k = 0.5027 0.3429 0.3218 ( 6915 PWs) bands (ev): -22.1275 -22.1275 -21.2301 -21.2301 -21.1902 -21.1902 -21.1112 -21.1112 -20.4878 -20.4878 -20.4419 -20.4419 -18.8080 -18.8080 -14.1140 -14.1140 -7.4295 -7.4295 -7.1690 -7.1690 -5.2477 -5.2477 -4.7795 -4.7795 -4.7284 -4.7284 -4.3776 -4.3776 -4.2127 -4.2127 -4.1132 -4.1132 -2.4813 -2.4813 -2.3731 -2.3731 -2.3479 -2.3479 -2.0963 -2.0963 -1.9939 -1.9939 -1.9179 -1.9179 -1.8439 -1.8439 -1.7465 -1.7465 -1.6963 -1.6963 -1.5901 -1.5901 -1.5677 -1.5677 -1.1594 -1.1594 -0.9769 -0.9769 -0.9429 -0.9429 0.1522 0.1522 0.2697 0.2697 2.9133 2.9133 3.0542 3.0542 5.6889 5.6889 6.6872 6.6872 8.6996 8.6996 9.6314 9.6314 k = 0.5029 0.3430 0.3400 ( 6919 PWs) bands (ev): -22.1259 -22.1259 -21.2301 -21.2301 -21.1902 -21.1902 -21.1129 -21.1129 -20.4879 -20.4879 -20.4421 -20.4421 -18.8080 -18.8080 -14.1141 -14.1141 -7.4247 -7.4247 -7.1727 -7.1727 -5.2473 -5.2473 -4.7713 -4.7713 -4.7289 -4.7289 -4.3816 -4.3816 -4.2139 -4.2139 -4.1237 -4.1237 -2.4694 -2.4694 -2.3642 -2.3642 -2.3394 -2.3394 -2.0928 -2.0928 -1.9925 -1.9925 -1.9285 -1.9285 -1.8498 -1.8498 -1.7599 -1.7599 -1.7011 -1.7011 -1.5921 -1.5921 -1.5696 -1.5696 -1.1600 -1.1600 -0.9713 -0.9713 -0.9409 -0.9409 0.1535 0.1535 0.2689 0.2689 2.9166 2.9166 3.0528 3.0528 5.7225 5.7225 6.6626 6.6626 8.6866 8.6866 9.6385 9.6385 k = 0.5030 0.3431 0.3582 ( 6911 PWs) bands (ev): -22.1245 -22.1245 -21.2301 -21.2301 -21.1901 -21.1901 -21.1145 -21.1145 -20.4880 -20.4880 -20.4423 -20.4423 -18.8080 -18.8080 -14.1142 -14.1142 -7.4199 -7.4199 -7.1763 -7.1763 -5.2471 -5.2471 -4.7629 -4.7629 -4.7291 -4.7291 -4.3861 -4.3861 -4.2162 -4.2162 -4.1324 -4.1324 -2.4579 -2.4579 -2.3575 -2.3575 -2.3284 -2.3284 -2.0891 -2.0891 -1.9910 -1.9910 -1.9390 -1.9390 -1.8555 -1.8555 -1.7749 -1.7749 -1.7057 -1.7057 -1.5982 -1.5982 -1.5662 -1.5662 -1.1606 -1.1606 -0.9661 -0.9661 -0.9389 -0.9389 0.1547 0.1547 0.2681 0.2681 2.9198 2.9198 3.0515 3.0515 5.7565 5.7565 6.6373 6.6373 8.6743 8.6743 9.6426 9.6426 k = 0.5032 0.3433 0.3764 ( 6912 PWs) bands (ev): -22.1231 -22.1231 -21.2302 -21.2302 -21.1900 -21.1900 -21.1161 -21.1161 -20.4881 -20.4881 -20.4425 -20.4425 -18.8080 -18.8080 -14.1143 -14.1143 -7.4153 -7.4153 -7.1798 -7.1798 -5.2470 -5.2470 -4.7549 -4.7549 -4.7286 -4.7286 -4.3911 -4.3911 -4.2198 -4.2198 -4.1390 -4.1390 -2.4469 -2.4469 -2.3524 -2.3524 -2.3154 -2.3154 -2.0852 -2.0852 -1.9895 -1.9895 -1.9494 -1.9494 -1.8610 -1.8610 -1.7912 -1.7912 -1.7101 -1.7101 -1.6049 -1.6049 -1.5613 -1.5613 -1.1611 -1.1611 -0.9615 -0.9615 -0.9368 -0.9368 0.1560 0.1560 0.2673 0.2673 2.9228 2.9228 3.0504 3.0504 5.7905 5.7905 6.6115 6.6115 8.6628 8.6628 9.6438 9.6438 k = 0.5034 0.3434 0.3946 ( 6908 PWs) bands (ev): -22.1217 -22.1217 -21.2302 -21.2302 -21.1900 -21.1900 -21.1174 -21.1174 -20.4882 -20.4882 -20.4426 -20.4426 -18.8080 -18.8080 -14.1144 -14.1144 -7.4109 -7.4109 -7.1831 -7.1831 -5.2469 -5.2469 -4.7480 -4.7480 -4.7268 -4.7268 -4.3967 -4.3967 -4.2245 -4.2245 -4.1437 -4.1437 -2.4365 -2.4365 -2.3483 -2.3483 -2.3014 -2.3014 -2.0812 -2.0812 -1.9881 -1.9881 -1.9595 -1.9595 -1.8662 -1.8662 -1.8086 -1.8086 -1.7141 -1.7141 -1.6111 -1.6111 -1.5561 -1.5561 -1.1617 -1.1617 -0.9575 -0.9575 -0.9347 -0.9347 0.1571 0.1571 0.2666 0.2666 2.9256 2.9256 3.0493 3.0493 5.8243 5.8243 6.5853 6.5853 8.6522 8.6522 9.6422 9.6422 k = 0.5035 0.3435 0.4129 ( 6906 PWs) bands (ev): -22.1205 -22.1205 -21.2303 -21.2303 -21.1899 -21.1899 -21.1187 -21.1187 -20.4882 -20.4882 -20.4428 -20.4428 -18.8080 -18.8080 -14.1145 -14.1145 -7.4068 -7.4068 -7.1863 -7.1863 -5.2470 -5.2470 -4.7432 -4.7432 -4.7228 -4.7228 -4.4026 -4.4026 -4.2299 -4.2299 -4.1465 -4.1465 -2.4268 -2.4268 -2.3448 -2.3448 -2.2870 -2.2870 -2.0771 -2.0771 -1.9868 -1.9868 -1.9691 -1.9691 -1.8711 -1.8711 -1.8265 -1.8265 -1.7177 -1.7177 -1.6164 -1.6164 -1.5511 -1.5511 -1.1622 -1.1622 -0.9540 -0.9540 -0.9325 -0.9325 0.1582 0.1582 0.2660 0.2660 2.9282 2.9282 3.0483 3.0483 5.8575 5.8575 6.5591 6.5591 8.6425 8.6425 9.6386 9.6386 k = 0.5037 0.3436 0.4311 ( 6909 PWs) bands (ev): -22.1195 -22.1195 -21.2304 -21.2304 -21.1899 -21.1899 -21.1198 -21.1198 -20.4883 -20.4883 -20.4429 -20.4429 -18.8079 -18.8079 -14.1146 -14.1146 -7.4030 -7.4030 -7.1891 -7.1891 -5.2472 -5.2472 -4.7408 -4.7408 -4.7166 -4.7166 -4.4087 -4.4087 -4.2355 -4.2355 -4.1481 -4.1481 -2.4180 -2.4180 -2.3418 -2.3418 -2.2726 -2.2726 -2.0731 -2.0731 -1.9856 -1.9856 -1.9778 -1.9778 -1.8758 -1.8758 -1.8443 -1.8443 -1.7210 -1.7210 -1.6210 -1.6210 -1.5466 -1.5466 -1.1627 -1.1627 -0.9512 -0.9512 -0.9303 -0.9303 0.1591 0.1591 0.2654 0.2654 2.9306 2.9306 3.0474 3.0474 5.8897 5.8897 6.5332 6.5332 8.6339 8.6339 9.6335 9.6335 k = 0.5038 0.3437 0.4493 ( 6909 PWs) bands (ev): -22.1185 -22.1185 -21.2305 -21.2305 -21.1899 -21.1899 -21.1207 -21.1207 -20.4884 -20.4884 -20.4431 -20.4431 -18.8079 -18.8079 -14.1146 -14.1146 -7.3996 -7.3996 -7.1917 -7.1917 -5.2474 -5.2474 -4.7398 -4.7398 -4.7095 -4.7095 -4.4148 -4.4148 -4.2410 -4.2410 -4.1487 -4.1487 -2.4101 -2.4101 -2.3392 -2.3392 -2.2587 -2.2587 -2.0693 -2.0693 -1.9861 -1.9861 -1.9838 -1.9838 -1.8806 -1.8806 -1.8612 -1.8612 -1.7239 -1.7239 -1.6248 -1.6248 -1.5426 -1.5426 -1.1632 -1.1632 -0.9489 -0.9489 -0.9282 -0.9282 0.1600 0.1600 0.2649 0.2649 2.9327 2.9327 3.0467 3.0467 5.9201 5.9201 6.5082 6.5082 8.6264 8.6264 9.6277 9.6277 k = 0.5040 0.3438 0.4675 ( 6905 PWs) bands (ev): -22.1177 -22.1177 -21.2306 -21.2306 -21.1899 -21.1899 -21.1215 -21.1215 -20.4884 -20.4884 -20.4432 -20.4432 -18.8079 -18.8079 -14.1147 -14.1147 -7.3967 -7.3967 -7.1940 -7.1940 -5.2477 -5.2477 -4.7394 -4.7394 -4.7024 -4.7024 -4.4207 -4.4207 -4.2458 -4.2458 -4.1488 -4.1488 -2.4033 -2.4033 -2.3370 -2.3370 -2.2458 -2.2458 -2.0662 -2.0662 -1.9916 -1.9916 -1.9833 -1.9833 -1.8876 -1.8876 -1.8745 -1.8745 -1.7263 -1.7263 -1.6279 -1.6279 -1.5391 -1.5391 -1.1636 -1.1636 -0.9471 -0.9471 -0.9264 -0.9264 0.1607 0.1607 0.2645 0.2645 2.9345 2.9345 3.0461 3.0461 5.9482 5.9482 6.4847 6.4847 8.6201 8.6201 9.6219 9.6219 k = 0.5041 0.3439 0.4857 ( 6919 PWs) bands (ev): -22.1171 -22.1171 -21.2307 -21.2307 -21.1899 -21.1899 -21.1221 -21.1221 -20.4884 -20.4884 -20.4433 -20.4433 -18.8079 -18.8079 -14.1148 -14.1148 -7.3943 -7.3943 -7.1958 -7.1958 -5.2479 -5.2479 -4.7392 -4.7392 -4.6960 -4.6960 -4.4259 -4.4259 -4.2499 -4.2499 -4.1486 -4.1486 -2.3977 -2.3977 -2.3353 -2.3353 -2.2345 -2.2345 -2.0639 -2.0639 -1.9954 -1.9954 -1.9826 -1.9826 -1.8994 -1.8994 -1.8810 -1.8810 -1.7282 -1.7282 -1.6303 -1.6303 -1.5363 -1.5363 -1.1639 -1.1639 -0.9458 -0.9458 -0.9248 -0.9248 0.1613 0.1613 0.2641 0.2641 2.9359 2.9359 3.0456 3.0456 5.9730 5.9730 6.4637 6.4637 8.6150 8.6150 9.6166 9.6166 k = 0.5043 0.3440 0.5039 ( 6924 PWs) bands (ev): -22.1166 -22.1166 -21.2307 -21.2307 -21.1899 -21.1899 -21.1226 -21.1226 -20.4885 -20.4885 -20.4433 -20.4433 -18.8079 -18.8079 -14.1148 -14.1148 -7.3925 -7.3925 -7.1972 -7.1972 -5.2482 -5.2482 -4.7392 -4.7392 -4.6909 -4.6909 -4.4302 -4.4302 -4.2530 -4.2530 -4.1483 -4.1483 -2.3934 -2.3934 -2.3339 -2.3339 -2.2254 -2.2254 -2.0626 -2.0626 -1.9973 -1.9973 -1.9821 -1.9821 -1.9116 -1.9116 -1.8839 -1.8839 -1.7296 -1.7296 -1.6321 -1.6321 -1.5342 -1.5342 -1.1641 -1.1641 -0.9448 -0.9448 -0.9235 -0.9235 0.1618 0.1618 0.2639 0.2639 2.9371 2.9371 3.0452 3.0452 5.9932 5.9932 6.4462 6.4462 8.6111 8.6111 9.6123 9.6123 k = 0.5044 0.3441 0.5222 ( 6920 PWs) bands (ev): -22.1163 -22.1163 -21.2308 -21.2308 -21.1899 -21.1899 -21.1229 -21.1229 -20.4885 -20.4885 -20.4434 -20.4434 -18.8079 -18.8079 -14.1148 -14.1148 -7.3914 -7.3914 -7.1981 -7.1981 -5.2484 -5.2484 -4.7392 -4.7392 -4.6875 -4.6875 -4.4331 -4.4331 -4.2550 -4.2550 -4.1480 -4.1480 -2.3904 -2.3904 -2.3330 -2.3330 -2.2192 -2.2192 -2.0620 -2.0620 -1.9976 -1.9976 -1.9819 -1.9819 -1.9209 -1.9209 -1.8854 -1.8854 -1.7306 -1.7306 -1.6332 -1.6332 -1.5329 -1.5329 -1.1643 -1.1643 -0.9442 -0.9442 -0.9227 -0.9227 0.1621 0.1621 0.2636 0.2636 2.9379 2.9379 3.0449 3.0449 6.0076 6.0076 6.4336 6.4336 8.6085 8.6085 9.6093 9.6093 k = 0.5046 0.3442 0.5404 ( 6918 PWs) bands (ev): -22.1161 -22.1161 -21.2308 -21.2308 -21.1899 -21.1899 -21.1230 -21.1230 -20.4885 -20.4885 -20.4434 -20.4434 -18.8079 -18.8079 -14.1148 -14.1148 -7.3908 -7.3908 -7.1984 -7.1984 -5.2487 -5.2487 -4.7391 -4.7391 -4.6859 -4.6859 -4.4345 -4.4345 -4.2560 -4.2560 -4.1477 -4.1477 -2.3889 -2.3889 -2.3326 -2.3326 -2.2164 -2.2164 -2.0617 -2.0617 -1.9977 -1.9977 -1.9819 -1.9819 -1.9255 -1.9255 -1.8859 -1.8859 -1.7309 -1.7309 -1.6337 -1.6337 -1.5323 -1.5323 -1.1643 -1.1643 -0.9440 -0.9440 -0.9223 -0.9223 0.1623 0.1623 0.2635 0.2635 2.9383 2.9383 3.0447 3.0447 6.0151 6.0151 6.4270 6.4270 8.6073 8.6073 9.6078 9.6078 k = 0.5046 0.3442 0.5404 ( 6918 PWs) bands (ev): -22.1161 -22.1161 -21.2308 -21.2308 -21.1899 -21.1899 -21.1230 -21.1230 -20.4885 -20.4885 -20.4434 -20.4434 -18.8079 -18.8079 -14.1148 -14.1148 -7.3908 -7.3908 -7.1984 -7.1984 -5.2487 -5.2487 -4.7391 -4.7391 -4.6859 -4.6859 -4.4345 -4.4345 -4.2560 -4.2560 -4.1477 -4.1477 -2.3889 -2.3889 -2.3326 -2.3326 -2.2164 -2.2164 -2.0617 -2.0617 -1.9977 -1.9977 -1.9819 -1.9819 -1.9255 -1.9255 -1.8859 -1.8859 -1.7309 -1.7309 -1.6337 -1.6337 -1.5323 -1.5323 -1.1643 -1.1643 -0.9440 -0.9440 -0.9223 -0.9223 0.1623 0.1623 0.2635 0.2635 2.9383 2.9383 3.0447 3.0447 6.0151 6.0151 6.4270 6.4270 8.6073 8.6073 9.6078 9.6078 k = 0.5000 0.3411 0.5465 ( 6920 PWs) bands (ev): -22.1161 -22.1161 -21.2308 -21.2308 -21.1899 -21.1899 -21.1230 -21.1230 -20.4885 -20.4885 -20.4434 -20.4434 -18.8079 -18.8079 -14.1148 -14.1148 -7.3908 -7.3908 -7.1984 -7.1984 -5.2488 -5.2488 -4.7391 -4.7391 -4.6858 -4.6858 -4.4346 -4.4346 -4.2560 -4.2560 -4.1477 -4.1477 -2.3886 -2.3886 -2.3325 -2.3325 -2.2162 -2.2162 -2.0618 -2.0618 -1.9979 -1.9979 -1.9817 -1.9817 -1.9258 -1.9258 -1.8861 -1.8861 -1.7310 -1.7310 -1.6338 -1.6338 -1.5322 -1.5322 -1.1643 -1.1643 -0.9439 -0.9439 -0.9223 -0.9223 0.1623 0.1623 0.2635 0.2635 2.9383 2.9383 3.0447 3.0447 6.0160 6.0160 6.4261 6.4261 8.6071 8.6071 9.6076 9.6076 k = 0.5000 0.3411 0.5465 ( 6920 PWs) bands (ev): -22.1161 -22.1161 -21.2308 -21.2308 -21.1899 -21.1899 -21.1230 -21.1230 -20.4885 -20.4885 -20.4434 -20.4434 -18.8079 -18.8079 -14.1148 -14.1148 -7.3908 -7.3908 -7.1984 -7.1984 -5.2488 -5.2488 -4.7391 -4.7391 -4.6858 -4.6858 -4.4346 -4.4346 -4.2560 -4.2560 -4.1477 -4.1477 -2.3886 -2.3886 -2.3325 -2.3325 -2.2162 -2.2162 -2.0618 -2.0618 -1.9979 -1.9979 -1.9817 -1.9817 -1.9258 -1.9258 -1.8861 -1.8861 -1.7310 -1.7310 -1.6338 -1.6338 -1.5322 -1.5322 -1.1643 -1.1643 -0.9439 -0.9439 -0.9223 -0.9223 0.1623 0.1623 0.2635 0.2635 2.9383 2.9383 3.0447 3.0447 6.0160 6.0160 6.4261 6.4261 8.6071 8.6071 9.6076 9.6076 k = 0.5104 0.3258 0.5465 ( 6924 PWs) bands (ev): -22.1161 -22.1161 -21.2308 -21.2308 -21.1898 -21.1898 -21.1230 -21.1230 -20.4885 -20.4885 -20.4434 -20.4434 -18.8079 -18.8079 -14.1148 -14.1148 -7.3908 -7.3908 -7.1986 -7.1986 -5.2486 -5.2486 -4.7393 -4.7393 -4.6861 -4.6861 -4.4340 -4.4340 -4.2556 -4.2556 -4.1476 -4.1476 -2.3890 -2.3890 -2.3340 -2.3340 -2.2169 -2.2169 -2.0620 -2.0620 -2.0013 -2.0013 -1.9770 -1.9770 -1.9261 -1.9261 -1.8852 -1.8852 -1.7305 -1.7305 -1.6336 -1.6336 -1.5323 -1.5323 -1.1644 -1.1644 -0.9440 -0.9440 -0.9223 -0.9223 0.1622 0.1622 0.2629 0.2629 2.9386 2.9386 3.0448 3.0448 6.0156 6.0156 6.4266 6.4266 8.6075 8.6075 9.6085 9.6085 k = 0.5209 0.3104 0.5465 ( 6932 PWs) bands (ev): -22.1162 -22.1162 -21.2307 -21.2307 -21.1898 -21.1898 -21.1230 -21.1230 -20.4887 -20.4887 -20.4433 -20.4433 -18.8079 -18.8079 -14.1148 -14.1148 -7.3907 -7.3907 -7.1992 -7.1992 -5.2481 -5.2481 -4.7399 -4.7399 -4.6873 -4.6873 -4.4322 -4.4322 -4.2542 -4.2542 -4.1474 -4.1474 -2.3901 -2.3901 -2.3382 -2.3382 -2.2189 -2.2189 -2.0632 -2.0632 -2.0062 -2.0062 -1.9678 -1.9678 -1.9269 -1.9269 -1.8824 -1.8824 -1.7290 -1.7290 -1.6331 -1.6331 -1.5323 -1.5323 -1.1645 -1.1645 -0.9442 -0.9442 -0.9226 -0.9226 0.1618 0.1618 0.2611 0.2611 2.9394 2.9394 3.0452 3.0452 6.0146 6.0146 6.4280 6.4280 8.6086 8.6086 9.6114 9.6114 k = 0.5313 0.2951 0.5465 ( 6932 PWs) bands (ev): -22.1163 -22.1163 -21.2305 -21.2305 -21.1897 -21.1897 -21.1230 -21.1230 -20.4890 -20.4890 -20.4433 -20.4433 -18.8078 -18.8078 -14.1147 -14.1147 -7.3907 -7.3907 -7.2001 -7.2001 -5.2474 -5.2474 -4.7408 -4.7408 -4.6890 -4.6890 -4.4292 -4.4292 -4.2520 -4.2520 -4.1471 -4.1471 -2.3921 -2.3921 -2.3450 -2.3450 -2.2223 -2.2223 -2.0664 -2.0664 -2.0086 -2.0086 -1.9573 -1.9573 -1.9281 -1.9281 -1.8779 -1.8779 -1.7265 -1.7265 -1.6323 -1.6323 -1.5324 -1.5324 -1.1648 -1.1648 -0.9446 -0.9446 -0.9229 -0.9229 0.1612 0.1612 0.2581 0.2581 2.9408 2.9408 3.0459 3.0459 6.0130 6.0130 6.4304 6.4304 8.6105 8.6105 9.6161 9.6161 k = 0.5418 0.2798 0.5465 ( 6928 PWs) bands (ev): -22.1165 -22.1165 -21.2303 -21.2303 -21.1896 -21.1896 -21.1230 -21.1230 -20.4893 -20.4893 -20.4432 -20.4432 -18.8078 -18.8078 -14.1145 -14.1145 -7.3906 -7.3906 -7.2014 -7.2014 -5.2463 -5.2463 -4.7421 -4.7421 -4.6914 -4.6914 -4.4252 -4.4252 -4.2490 -4.2490 -4.1466 -4.1466 -2.3948 -2.3948 -2.3538 -2.3538 -2.2268 -2.2268 -2.0722 -2.0722 -2.0076 -2.0076 -1.9463 -1.9463 -1.9295 -1.9295 -1.8720 -1.8720 -1.7232 -1.7232 -1.6312 -1.6312 -1.5325 -1.5325 -1.1652 -1.1652 -0.9452 -0.9452 -0.9234 -0.9234 0.1603 0.1603 0.2540 0.2540 2.9427 2.9427 3.0468 3.0468 6.0107 6.0107 6.4337 6.4337 8.6130 8.6130 9.6226 9.6226 k = 0.5522 0.2645 0.5465 ( 6930 PWs) bands (ev): -22.1167 -22.1167 -21.2300 -21.2300 -21.1894 -21.1894 -21.1230 -21.1230 -20.4898 -20.4898 -20.4430 -20.4430 -18.8077 -18.8077 -14.1144 -14.1144 -7.3905 -7.3905 -7.2031 -7.2031 -5.2448 -5.2448 -4.7436 -4.7436 -4.6943 -4.6943 -4.4204 -4.4204 -4.2453 -4.2453 -4.1460 -4.1460 -2.3984 -2.3984 -2.3642 -2.3642 -2.2324 -2.2324 -2.0804 -2.0804 -2.0035 -2.0035 -1.9358 -1.9358 -1.9303 -1.9303 -1.8649 -1.8649 -1.7191 -1.7191 -1.6298 -1.6298 -1.5326 -1.5326 -1.1657 -1.1657 -0.9458 -0.9458 -0.9240 -0.9240 0.1590 0.1590 0.2488 0.2488 2.9451 2.9451 3.0480 3.0480 6.0079 6.0079 6.4378 6.4378 8.6162 8.6162 9.6310 9.6310 k = 0.5627 0.2492 0.5465 ( 6928 PWs) bands (ev): -22.1169 -22.1169 -21.2296 -21.2296 -21.1892 -21.1892 -21.1229 -21.1229 -20.4904 -20.4904 -20.4428 -20.4428 -18.8077 -18.8077 -14.1142 -14.1142 -7.3905 -7.3905 -7.2051 -7.2051 -5.2431 -5.2431 -4.7454 -4.7454 -4.6976 -4.6976 -4.4147 -4.4147 -4.2409 -4.2409 -4.1452 -4.1452 -2.4029 -2.4029 -2.3755 -2.3755 -2.2389 -2.2389 -2.0901 -2.0901 -1.9973 -1.9973 -1.9341 -1.9341 -1.9220 -1.9220 -1.8568 -1.8568 -1.7143 -1.7143 -1.6282 -1.6282 -1.5326 -1.5326 -1.1663 -1.1663 -0.9467 -0.9467 -0.9248 -0.9248 0.1574 0.1574 0.2427 0.2427 2.9481 2.9481 3.0494 3.0494 6.0044 6.0044 6.4428 6.4428 8.6200 8.6200 9.6412 9.6412 k = 0.5731 0.2339 0.5465 ( 6932 PWs) bands (ev): -22.1172 -22.1172 -21.2292 -21.2292 -21.1889 -21.1889 -21.1229 -21.1229 -20.4910 -20.4910 -20.4426 -20.4426 -18.8076 -18.8076 -14.1139 -14.1139 -7.3904 -7.3904 -7.2075 -7.2075 -5.2411 -5.2411 -4.7474 -4.7474 -4.7011 -4.7011 -4.4085 -4.4085 -4.2359 -4.2359 -4.1444 -4.1444 -2.4090 -2.4090 -2.3869 -2.3869 -2.2461 -2.2461 -2.1008 -2.1008 -1.9900 -1.9900 -1.9359 -1.9359 -1.9100 -1.9100 -1.8478 -1.8478 -1.7090 -1.7090 -1.6264 -1.6264 -1.5326 -1.5326 -1.1669 -1.1669 -0.9476 -0.9476 -0.9257 -0.9257 0.1554 0.1554 0.2359 0.2359 2.9517 2.9517 3.0511 3.0511 6.0004 6.0004 6.4486 6.4486 8.6245 8.6245 9.6531 9.6531 k = 0.5836 0.2185 0.5465 ( 6934 PWs) bands (ev): -22.1176 -22.1176 -21.2288 -21.2288 -21.1886 -21.1886 -21.1229 -21.1229 -20.4917 -20.4917 -20.4424 -20.4424 -18.8075 -18.8075 -14.1137 -14.1137 -7.3904 -7.3904 -7.2102 -7.2102 -5.2388 -5.2388 -4.7496 -4.7496 -4.7048 -4.7048 -4.4019 -4.4019 -4.2305 -4.2305 -4.1434 -4.1434 -2.4174 -2.4174 -2.3971 -2.3971 -2.2538 -2.2538 -2.1120 -2.1120 -1.9822 -1.9822 -1.9380 -1.9380 -1.8975 -1.8975 -1.8381 -1.8381 -1.7033 -1.7033 -1.6244 -1.6244 -1.5324 -1.5324 -1.1674 -1.1674 -0.9487 -0.9487 -0.9267 -0.9267 0.1528 0.1528 0.2283 0.2283 2.9558 2.9558 3.0529 3.0529 5.9958 5.9958 6.4553 6.4553 8.6294 8.6294 9.6666 9.6666 k = 0.5940 0.2032 0.5465 ( 6932 PWs) bands (ev): -22.1180 -22.1180 -21.2283 -21.2283 -21.1883 -21.1883 -21.1228 -21.1228 -20.4925 -20.4925 -20.4422 -20.4422 -18.8074 -18.8074 -14.1134 -14.1134 -7.3905 -7.3905 -7.2132 -7.2132 -5.2361 -5.2361 -4.7518 -4.7518 -4.7085 -4.7085 -4.3950 -4.3950 -4.2247 -4.2247 -4.1422 -4.1422 -2.4283 -2.4283 -2.4054 -2.4054 -2.2619 -2.2619 -2.1233 -2.1233 -1.9742 -1.9742 -1.9404 -1.9404 -1.8846 -1.8846 -1.8279 -1.8279 -1.6972 -1.6972 -1.6224 -1.6224 -1.5321 -1.5321 -1.1680 -1.1680 -0.9499 -0.9499 -0.9279 -0.9279 0.1496 0.1496 0.2204 0.2204 2.9604 2.9604 3.0549 3.0549 5.9908 5.9908 6.4626 6.4626 8.6349 8.6349 9.6818 9.6818 k = 0.6045 0.1879 0.5465 ( 6932 PWs) bands (ev): -22.1184 -22.1184 -21.2277 -21.2277 -21.1880 -21.1880 -21.1228 -21.1228 -20.4934 -20.4934 -20.4419 -20.4419 -18.8073 -18.8073 -14.1130 -14.1130 -7.3906 -7.3906 -7.2164 -7.2164 -5.2332 -5.2332 -4.7540 -4.7540 -4.7121 -4.7121 -4.3881 -4.3881 -4.2187 -4.2187 -4.1410 -4.1410 -2.4411 -2.4411 -2.4123 -2.4123 -2.2703 -2.2703 -2.1347 -2.1347 -1.9665 -1.9665 -1.9429 -1.9429 -1.8716 -1.8716 -1.8173 -1.8173 -1.6909 -1.6909 -1.6203 -1.6203 -1.5316 -1.5316 -1.1685 -1.1685 -0.9512 -0.9512 -0.9291 -0.9291 0.1457 0.1457 0.2122 0.2122 2.9656 2.9656 3.0571 3.0571 5.9853 5.9853 6.4706 6.4706 8.6407 8.6407 9.6984 9.6984 k = 0.6149 0.1726 0.5465 ( 6934 PWs) bands (ev): -22.1189 -22.1189 -21.2271 -21.2271 -21.1876 -21.1876 -21.1227 -21.1227 -20.4943 -20.4943 -20.4416 -20.4416 -18.8072 -18.8072 -14.1126 -14.1126 -7.3908 -7.3908 -7.2200 -7.2200 -5.2300 -5.2300 -4.7563 -4.7563 -4.7155 -4.7155 -4.3812 -4.3812 -4.2126 -4.2126 -4.1395 -4.1395 -2.4547 -2.4547 -2.4186 -2.4186 -2.2789 -2.2789 -2.1458 -2.1458 -1.9591 -1.9591 -1.9455 -1.9455 -1.8584 -1.8584 -1.8065 -1.8065 -1.6845 -1.6845 -1.6182 -1.6182 -1.5308 -1.5308 -1.1689 -1.1689 -0.9527 -0.9527 -0.9304 -0.9304 0.1409 0.1409 0.2040 0.2040 2.9714 2.9714 3.0594 3.0594 5.9795 5.9795 6.4792 6.4792 8.6469 8.6469 9.7165 9.7165 k = 0.6254 0.1573 0.5465 ( 6938 PWs) bands (ev): -22.1194 -22.1194 -21.2265 -21.2265 -21.1871 -21.1871 -21.1226 -21.1226 -20.4953 -20.4953 -20.4413 -20.4413 -18.8071 -18.8071 -14.1122 -14.1122 -7.3911 -7.3911 -7.2238 -7.2238 -5.2265 -5.2265 -4.7585 -4.7585 -4.7187 -4.7187 -4.3745 -4.3745 -4.2067 -4.2067 -4.1380 -4.1380 -2.4684 -2.4684 -2.4247 -2.4247 -2.2874 -2.2874 -2.1566 -2.1566 -1.9523 -1.9523 -1.9480 -1.9480 -1.8451 -1.8451 -1.7956 -1.7956 -1.6781 -1.6781 -1.6161 -1.6161 -1.5298 -1.5298 -1.1692 -1.1692 -0.9542 -0.9542 -0.9318 -0.9318 0.1351 0.1351 0.1961 0.1961 2.9777 2.9777 3.0619 3.0619 5.9733 5.9733 6.4884 6.4884 8.6533 8.6533 9.7358 9.7358 k = 0.6358 0.1420 0.5465 ( 6938 PWs) bands (ev): -22.1200 -22.1200 -21.2259 -21.2259 -21.1866 -21.1866 -21.1225 -21.1225 -20.4963 -20.4963 -20.4410 -20.4410 -18.8070 -18.8070 -14.1118 -14.1118 -7.3915 -7.3915 -7.2278 -7.2278 -5.2226 -5.2226 -4.7605 -4.7605 -4.7215 -4.7215 -4.3681 -4.3681 -4.2009 -4.2009 -4.1363 -4.1363 -2.4820 -2.4820 -2.4306 -2.4306 -2.2959 -2.2959 -2.1670 -2.1670 -1.9515 -1.9515 -1.9452 -1.9452 -1.8320 -1.8320 -1.7848 -1.7848 -1.6717 -1.6717 -1.6140 -1.6140 -1.5286 -1.5286 -1.1693 -1.1693 -0.9558 -0.9558 -0.9333 -0.9333 0.1282 0.1282 0.1887 0.1887 2.9844 2.9844 3.0644 3.0644 5.9668 5.9668 6.4980 6.4980 8.6600 8.6600 9.7561 9.7561 k = 0.3642-0.5339 0.5526 ( 6938 PWs) bands (ev): -22.1200 -22.1200 -21.2259 -21.2259 -21.1866 -21.1866 -21.1225 -21.1225 -20.4963 -20.4963 -20.4410 -20.4410 -18.8070 -18.8070 -14.1118 -14.1118 -7.3915 -7.3915 -7.2278 -7.2278 -5.2226 -5.2226 -4.7605 -4.7605 -4.7215 -4.7215 -4.3681 -4.3681 -4.2009 -4.2009 -4.1363 -4.1363 -2.4820 -2.4820 -2.4306 -2.4306 -2.2959 -2.2959 -2.1670 -2.1670 -1.9515 -1.9515 -1.9452 -1.9452 -1.8320 -1.8320 -1.7848 -1.7848 -1.6717 -1.6717 -1.6140 -1.6140 -1.5286 -1.5286 -1.1693 -1.1693 -0.9558 -0.9558 -0.9333 -0.9333 0.1282 0.1282 0.1887 0.1887 2.9844 2.9844 3.0644 3.0644 5.9668 5.9668 6.4980 6.4980 8.6600 8.6600 9.7561 9.7561 k = 0.3538-0.5186 0.5526 ( 6940 PWs) bands (ev): -22.1206 -22.1206 -21.2252 -21.2252 -21.1861 -21.1861 -21.1224 -21.1224 -20.4974 -20.4974 -20.4406 -20.4406 -18.8069 -18.8069 -14.1113 -14.1113 -7.3921 -7.3921 -7.2319 -7.2319 -5.2186 -5.2186 -4.7624 -4.7624 -4.7240 -4.7240 -4.3622 -4.3622 -4.1956 -4.1956 -4.1344 -4.1344 -2.4950 -2.4950 -2.4364 -2.4364 -2.3042 -2.3042 -2.1767 -2.1767 -1.9543 -1.9543 -1.9393 -1.9393 -1.8191 -1.8191 -1.7743 -1.7743 -1.6653 -1.6653 -1.6121 -1.6121 -1.5271 -1.5271 -1.1692 -1.1692 -0.9574 -0.9574 -0.9349 -0.9349 0.1202 0.1202 0.1818 0.1818 2.9917 2.9917 3.0671 3.0671 5.9602 5.9602 6.5081 6.5081 8.6667 8.6667 9.7773 9.7773 k = 0.3434-0.5034 0.5526 ( 6952 PWs) bands (ev): -22.1212 -22.1212 -21.2245 -21.2245 -21.1856 -21.1856 -21.1223 -21.1223 -20.4984 -20.4984 -20.4403 -20.4403 -18.8068 -18.8068 -14.1108 -14.1108 -7.3928 -7.3928 -7.2363 -7.2363 -5.2142 -5.2142 -4.7641 -4.7641 -4.7260 -4.7260 -4.3568 -4.3568 -4.1909 -4.1909 -4.1323 -4.1323 -2.5074 -2.5074 -2.4421 -2.4421 -2.3123 -2.3123 -2.1858 -2.1858 -1.9574 -1.9574 -1.9338 -1.9338 -1.8064 -1.8064 -1.7643 -1.7643 -1.6589 -1.6589 -1.6102 -1.6102 -1.5253 -1.5253 -1.1689 -1.1689 -0.9591 -0.9591 -0.9365 -0.9365 0.1114 0.1114 0.1755 0.1755 2.9994 2.9994 3.0698 3.0698 5.9534 5.9534 6.5185 6.5185 8.6735 8.6735 9.7991 9.7991 k = 0.3330-0.4881 0.5526 ( 6958 PWs) bands (ev): -22.1219 -22.1219 -21.2238 -21.2238 -21.1850 -21.1850 -21.1222 -21.1222 -20.4995 -20.4995 -20.4399 -20.4399 -18.8067 -18.8067 -14.1103 -14.1103 -7.3937 -7.3937 -7.2408 -7.2408 -5.2096 -5.2096 -4.7655 -4.7655 -4.7276 -4.7276 -4.3520 -4.3520 -4.1869 -4.1869 -4.1302 -4.1302 -2.5190 -2.5190 -2.4478 -2.4478 -2.3200 -2.3200 -2.1941 -2.1941 -1.9605 -1.9605 -1.9287 -1.9287 -1.7943 -1.7943 -1.7548 -1.7548 -1.6525 -1.6525 -1.6083 -1.6083 -1.5233 -1.5233 -1.1684 -1.1684 -0.9608 -0.9608 -0.9382 -0.9382 0.1019 0.1019 0.1696 0.1696 3.0075 3.0075 3.0726 3.0726 5.9465 5.9465 6.5292 6.5292 8.6803 8.6803 9.8212 9.8212 k = 0.3226-0.4729 0.5526 ( 6950 PWs) bands (ev): -22.1226 -22.1226 -21.2231 -21.2231 -21.1844 -21.1844 -21.1221 -21.1221 -20.5006 -20.5006 -20.4396 -20.4396 -18.8066 -18.8066 -14.1097 -14.1097 -7.3948 -7.3948 -7.2454 -7.2454 -5.2047 -5.2047 -4.7666 -4.7666 -4.7287 -4.7287 -4.3479 -4.3479 -4.1836 -4.1836 -4.1279 -4.1279 -2.5298 -2.5298 -2.4532 -2.4532 -2.3274 -2.3274 -2.2015 -2.2015 -1.9637 -1.9637 -1.9241 -1.9241 -1.7827 -1.7827 -1.7461 -1.7461 -1.6460 -1.6460 -1.6065 -1.6065 -1.5212 -1.5212 -1.1676 -1.1676 -0.9625 -0.9625 -0.9398 -0.9398 0.0919 0.0919 0.1641 0.1641 3.0159 3.0159 3.0757 3.0757 5.9396 5.9396 6.5402 6.5402 8.6870 8.6870 9.8433 9.8433 k = 0.3122-0.4576 0.5526 ( 6948 PWs) bands (ev): -22.1234 -22.1234 -21.2224 -21.2224 -21.1838 -21.1838 -21.1219 -21.1219 -20.5017 -20.5017 -20.4392 -20.4392 -18.8066 -18.8066 -14.1091 -14.1091 -7.3961 -7.3961 -7.2501 -7.2501 -5.1996 -5.1996 -4.7674 -4.7674 -4.7293 -4.7293 -4.3444 -4.3444 -4.1812 -4.1812 -4.1256 -4.1256 -2.5396 -2.5396 -2.4585 -2.4585 -2.3345 -2.3345 -2.2079 -2.2079 -1.9670 -1.9670 -1.9199 -1.9199 -1.7719 -1.7719 -1.7381 -1.7381 -1.6394 -1.6394 -1.6048 -1.6048 -1.5189 -1.5189 -1.1666 -1.1666 -0.9642 -0.9642 -0.9415 -0.9415 0.0817 0.0817 0.1587 0.1587 3.0245 3.0245 3.0789 3.0789 5.9327 5.9327 6.5514 6.5514 8.6935 8.6935 9.8649 9.8649 k = 0.3018-0.4424 0.5526 ( 6944 PWs) bands (ev): -22.1241 -22.1241 -21.2217 -21.2217 -21.1831 -21.1831 -21.1218 -21.1218 -20.5027 -20.5027 -20.4388 -20.4388 -18.8065 -18.8065 -14.1085 -14.1085 -7.3975 -7.3975 -7.2549 -7.2549 -5.1942 -5.1942 -4.7678 -4.7678 -4.7295 -4.7295 -4.3418 -4.3418 -4.1797 -4.1797 -4.1234 -4.1234 -2.5483 -2.5483 -2.4636 -2.4636 -2.3411 -2.3411 -2.2132 -2.2132 -1.9702 -1.9702 -1.9161 -1.9161 -1.7621 -1.7621 -1.7308 -1.7308 -1.6327 -1.6327 -1.6029 -1.6029 -1.5166 -1.5166 -1.1653 -1.1653 -0.9659 -0.9659 -0.9432 -0.9432 0.0716 0.0716 0.1534 0.1534 3.0331 3.0331 3.0826 3.0826 5.9260 5.9260 6.5627 6.5627 8.6998 8.6998 9.8855 9.8855 k = 0.2914-0.4271 0.5526 ( 6944 PWs) bands (ev): -22.1250 -22.1250 -21.2211 -21.2211 -21.1825 -21.1825 -21.1216 -21.1216 -20.5038 -20.5038 -20.4385 -20.4385 -18.8064 -18.8064 -14.1079 -14.1079 -7.3992 -7.3992 -7.2597 -7.2597 -5.1886 -5.1886 -4.7678 -4.7678 -4.7292 -4.7292 -4.3399 -4.3399 -4.1791 -4.1791 -4.1214 -4.1214 -2.5560 -2.5560 -2.4684 -2.4684 -2.3474 -2.3474 -2.2175 -2.2175 -1.9734 -1.9734 -1.9128 -1.9128 -1.7536 -1.7536 -1.7242 -1.7242 -1.6260 -1.6260 -1.6010 -1.6010 -1.5143 -1.5143 -1.1637 -1.1637 -0.9676 -0.9676 -0.9449 -0.9449 0.0617 0.0617 0.1481 0.1481 3.0414 3.0414 3.0870 3.0870 5.9194 5.9194 6.5740 6.5740 8.7059 8.7059 9.9043 9.9043 k = 0.2809-0.4119 0.5526 ( 6954 PWs) bands (ev): -22.1258 -22.1258 -21.2204 -21.2204 -21.1818 -21.1818 -21.1214 -21.1214 -20.5048 -20.5048 -20.4381 -20.4381 -18.8064 -18.8064 -14.1072 -14.1072 -7.4011 -7.4011 -7.2646 -7.2646 -5.1828 -5.1828 -4.7673 -4.7673 -4.7283 -4.7283 -4.3388 -4.3388 -4.1794 -4.1794 -4.1197 -4.1197 -2.5625 -2.5625 -2.4730 -2.4730 -2.3532 -2.3532 -2.2206 -2.2206 -1.9765 -1.9765 -1.9099 -1.9099 -1.7466 -1.7466 -1.7180 -1.7180 -1.6195 -1.6195 -1.5987 -1.5987 -1.5121 -1.5121 -1.1618 -1.1618 -0.9692 -0.9692 -0.9465 -0.9465 0.0522 0.0522 0.1428 0.1428 3.0489 3.0489 3.0924 3.0924 5.9129 5.9129 6.5854 6.5854 8.7116 8.7116 9.9202 9.9202 k = 0.2705-0.3966 0.5526 ( 6956 PWs) bands (ev): -22.1267 -22.1267 -21.2197 -21.2197 -21.1811 -21.1811 -21.1212 -21.1212 -20.5058 -20.5058 -20.4377 -20.4377 -18.8063 -18.8063 -14.1066 -14.1066 -7.4032 -7.4032 -7.2695 -7.2695 -5.1767 -5.1767 -4.7664 -4.7664 -4.7271 -4.7271 -4.3385 -4.3385 -4.1806 -4.1806 -4.1185 -4.1185 -2.5679 -2.5679 -2.4772 -2.4772 -2.3585 -2.3585 -2.2224 -2.2224 -1.9795 -1.9795 -1.9073 -1.9073 -1.7413 -1.7413 -1.7121 -1.7121 -1.6134 -1.6134 -1.5958 -1.5958 -1.5099 -1.5099 -1.1596 -1.1596 -0.9708 -0.9708 -0.9480 -0.9480 0.0432 0.0432 0.1373 0.1373 3.0552 3.0552 3.0992 3.0992 5.9068 5.9068 6.5967 6.5967 8.7170 8.7170 9.9319 9.9319 k = 0.2601-0.3814 0.5526 ( 6960 PWs) bands (ev): -22.1275 -22.1275 -21.2191 -21.2191 -21.1804 -21.1804 -21.1210 -21.1210 -20.5067 -20.5067 -20.4374 -20.4374 -18.8063 -18.8063 -14.1059 -14.1059 -7.4054 -7.4054 -7.2744 -7.2744 -5.1705 -5.1705 -4.7650 -4.7650 -4.7253 -4.7253 -4.3390 -4.3390 -4.1825 -4.1825 -4.1178 -4.1178 -2.5721 -2.5721 -2.4811 -2.4811 -2.3634 -2.3634 -2.2230 -2.2230 -1.9824 -1.9824 -1.9052 -1.9052 -1.7378 -1.7378 -1.7065 -1.7065 -1.6081 -1.6081 -1.5920 -1.5920 -1.5079 -1.5079 -1.1572 -1.1572 -0.9724 -0.9724 -0.9495 -0.9495 0.0348 0.0348 0.1317 0.1317 3.0602 3.0602 3.1076 3.1076 5.9010 5.9010 6.6079 6.6079 8.7220 8.7220 9.9373 9.9373 k = 0.2497-0.3661 0.5526 ( 6964 PWs) bands (ev): -22.1284 -22.1284 -21.2185 -21.2185 -21.1796 -21.1796 -21.1208 -21.1208 -20.5076 -20.5076 -20.4370 -20.4370 -18.8063 -18.8063 -14.1052 -14.1052 -7.4079 -7.4079 -7.2792 -7.2792 -5.1640 -5.1640 -4.7632 -4.7632 -4.7231 -4.7231 -4.3404 -4.3404 -4.1853 -4.1853 -4.1176 -4.1176 -2.5752 -2.5752 -2.4846 -2.4846 -2.3680 -2.3680 -2.2224 -2.2224 -1.9850 -1.9850 -1.9035 -1.9035 -1.7360 -1.7360 -1.7013 -1.7013 -1.6038 -1.6038 -1.5873 -1.5873 -1.5060 -1.5060 -1.1545 -1.1545 -0.9738 -0.9738 -0.9509 -0.9509 0.0272 0.0272 0.1260 0.1260 3.0637 3.0637 3.1176 3.1176 5.8955 5.8955 6.6191 6.6191 8.7265 8.7265 9.9339 9.9339 k = 0.2393-0.3508 0.5526 ( 6954 PWs) bands (ev): -22.1293 -22.1293 -21.2179 -21.2179 -21.1789 -21.1789 -21.1205 -21.1205 -20.5084 -20.5084 -20.4367 -20.4367 -18.8063 -18.8063 -14.1045 -14.1045 -7.4106 -7.4106 -7.2840 -7.2840 -5.1574 -5.1574 -4.7609 -4.7609 -4.7203 -4.7203 -4.3425 -4.3425 -4.1888 -4.1888 -4.1181 -4.1181 -2.5771 -2.5771 -2.4878 -2.4878 -2.3721 -2.3721 -2.2204 -2.2204 -1.9874 -1.9874 -1.9022 -1.9022 -1.7356 -1.7356 -1.6966 -1.6966 -1.6001 -1.6001 -1.5819 -1.5819 -1.5043 -1.5043 -1.1515 -1.1515 -0.9752 -0.9752 -0.9522 -0.9522 0.0203 0.0203 0.1202 0.1202 3.0660 3.0660 3.1289 3.1289 5.8905 5.8905 6.6300 6.6300 8.7306 8.7306 9.9188 9.9188 k = 0.2289-0.3356 0.5526 ( 6948 PWs) bands (ev): -22.1303 -22.1303 -21.2174 -21.2174 -21.1782 -21.1782 -21.1203 -21.1203 -20.5092 -20.5092 -20.4364 -20.4364 -18.8063 -18.8063 -14.1038 -14.1038 -7.4134 -7.4134 -7.2887 -7.2887 -5.1506 -5.1506 -4.7582 -4.7582 -4.7172 -4.7172 -4.3455 -4.3455 -4.1931 -4.1931 -4.1191 -4.1191 -2.5780 -2.5780 -2.4905 -2.4905 -2.3758 -2.3758 -2.2172 -2.2172 -1.9896 -1.9896 -1.9013 -1.9013 -1.7365 -1.7365 -1.6926 -1.6926 -1.5968 -1.5968 -1.5763 -1.5763 -1.5027 -1.5027 -1.1483 -1.1483 -0.9766 -0.9766 -0.9533 -0.9533 0.0143 0.0143 0.1142 0.1142 3.0674 3.0674 3.1412 3.1412 5.8859 5.8859 6.6407 6.6407 8.7342 8.7342 9.8907 9.8907 k = 0.2185-0.3203 0.5526 ( 6950 PWs) bands (ev): -22.1312 -22.1312 -21.2169 -21.2169 -21.1774 -21.1774 -21.1200 -21.1200 -20.5099 -20.5099 -20.4360 -20.4360 -18.8063 -18.8063 -14.1031 -14.1031 -7.4164 -7.4164 -7.2933 -7.2933 -5.1437 -5.1437 -4.7552 -4.7552 -4.7135 -4.7135 -4.3493 -4.3493 -4.1981 -4.1981 -4.1207 -4.1207 -2.5779 -2.5779 -2.4929 -2.4929 -2.3791 -2.3791 -2.2128 -2.2128 -1.9915 -1.9915 -1.9008 -1.9008 -1.7385 -1.7385 -1.6895 -1.6895 -1.5936 -1.5936 -1.5708 -1.5708 -1.5013 -1.5013 -1.1449 -1.1449 -0.9778 -0.9778 -0.9542 -0.9542 0.0090 0.0090 0.1082 0.1082 3.0681 3.0681 3.1542 3.1542 5.8817 5.8817 6.6511 6.6511 8.7373 8.7373 9.8504 9.8504 k = 0.2081-0.3051 0.5526 ( 6940 PWs) bands (ev): -22.1321 -22.1321 -21.2164 -21.2164 -21.1767 -21.1767 -21.1197 -21.1197 -20.5105 -20.5105 -20.4357 -20.4357 -18.8063 -18.8063 -14.1024 -14.1024 -7.4195 -7.4195 -7.2978 -7.2978 -5.1366 -5.1366 -4.7517 -4.7517 -4.7094 -4.7094 -4.3539 -4.3539 -4.2039 -4.2039 -4.1228 -4.1228 -2.5769 -2.5769 -2.4948 -2.4948 -2.3821 -2.3821 -2.2073 -2.2073 -1.9931 -1.9931 -1.9007 -1.9007 -1.7415 -1.7415 -1.6871 -1.6871 -1.5904 -1.5904 -1.5657 -1.5657 -1.4999 -1.4999 -1.1413 -1.1413 -0.9790 -0.9790 -0.9550 -0.9550 0.0046 0.0046 0.1021 0.1021 3.0681 3.0681 3.1677 3.1677 5.8781 5.8781 6.6613 6.6613 8.7399 8.7399 9.8011 9.8011 k = 0.1977-0.2898 0.5526 ( 6942 PWs) bands (ev): -22.1330 -22.1330 -21.2160 -21.2160 -21.1760 -21.1760 -21.1194 -21.1194 -20.5112 -20.5112 -20.4354 -20.4354 -18.8063 -18.8063 -14.1017 -14.1017 -7.4227 -7.4227 -7.3022 -7.3022 -5.1295 -5.1295 -4.7479 -4.7479 -4.7049 -4.7049 -4.3592 -4.3592 -4.2104 -4.2104 -4.1253 -4.1253 -2.5750 -2.5750 -2.4963 -2.4963 -2.3848 -2.3848 -2.2006 -2.2006 -1.9943 -1.9943 -1.9010 -1.9010 -1.7454 -1.7454 -1.6856 -1.6856 -1.5871 -1.5871 -1.5610 -1.5610 -1.4986 -1.4986 -1.1375 -1.1375 -0.9802 -0.9802 -0.9556 -0.9556 0.0010 0.0010 0.0960 0.0960 3.0677 3.0677 3.1816 3.1816 5.8749 5.8749 6.6711 6.6711 8.7420 8.7420 9.7460 9.7460 k = 0.1873-0.2746 0.5526 ( 6946 PWs) bands (ev): -22.1339 -22.1339 -21.2156 -21.2156 -21.1753 -21.1753 -21.1191 -21.1191 -20.5117 -20.5117 -20.4352 -20.4352 -18.8064 -18.8064 -14.1010 -14.1010 -7.4260 -7.4260 -7.3064 -7.3064 -5.1223 -5.1223 -4.7438 -4.7438 -4.6999 -4.6999 -4.3653 -4.3653 -4.2175 -4.2175 -4.1282 -4.1282 -2.5723 -2.5723 -2.4974 -2.4974 -2.3872 -2.3872 -2.1930 -2.1930 -1.9951 -1.9951 -1.9017 -1.9017 -1.7500 -1.7500 -1.6849 -1.6849 -1.5837 -1.5837 -1.5569 -1.5569 -1.4974 -1.4974 -1.1336 -1.1336 -0.9813 -0.9813 -0.9560 -0.9560 -0.0019 -0.0019 0.0899 0.0899 3.0668 3.0668 3.1958 3.1958 5.8722 5.8722 6.6806 6.6806 8.7436 8.7436 9.6878 9.6878 k = 0.1769-0.2593 0.5526 ( 6952 PWs) bands (ev): -22.1348 -22.1348 -21.2152 -21.2152 -21.1746 -21.1746 -21.1188 -21.1188 -20.5122 -20.5122 -20.4349 -20.4349 -18.8064 -18.8064 -14.1003 -14.1003 -7.4294 -7.4294 -7.3105 -7.3105 -5.1151 -5.1151 -4.7393 -4.7393 -4.6945 -4.6945 -4.3721 -4.3721 -4.2253 -4.2253 -4.1312 -4.1312 -2.5690 -2.5690 -2.4981 -2.4981 -2.3894 -2.3894 -2.1844 -2.1844 -1.9956 -1.9956 -1.9027 -1.9027 -1.7554 -1.7554 -1.6848 -1.6848 -1.5804 -1.5804 -1.5534 -1.5534 -1.4962 -1.4962 -1.1296 -1.1296 -0.9823 -0.9823 -0.9562 -0.9562 -0.0041 -0.0041 0.0838 0.0838 3.0655 3.0655 3.2101 3.2101 5.8699 5.8699 6.6897 6.6897 8.7448 8.7448 9.6283 9.6283 k = 0.1665-0.2441 0.5526 ( 6960 PWs) bands (ev): -22.1357 -22.1357 -21.2149 -21.2149 -21.1739 -21.1739 -21.1185 -21.1185 -20.5126 -20.5126 -20.4347 -20.4347 -18.8065 -18.8065 -14.0997 -14.0997 -7.4328 -7.4328 -7.3144 -7.3144 -5.1079 -5.1079 -4.7346 -4.7346 -4.6887 -4.6887 -4.3796 -4.3796 -4.2336 -4.2336 -4.1345 -4.1345 -2.5650 -2.5650 -2.4984 -2.4984 -2.3913 -2.3913 -2.1750 -2.1750 -1.9957 -1.9957 -1.9042 -1.9042 -1.7614 -1.7614 -1.6853 -1.6853 -1.5771 -1.5771 -1.5504 -1.5504 -1.4950 -1.4950 -1.1255 -1.1255 -0.9833 -0.9833 -0.9562 -0.9562 -0.0058 -0.0058 0.0780 0.0780 3.0639 3.0639 3.2244 3.2244 5.8682 5.8682 6.6983 6.6983 8.7456 8.7456 9.5688 9.5688 k = 0.1561-0.2288 0.5526 ( 6958 PWs) bands (ev): -22.1365 -22.1365 -21.2147 -21.2147 -21.1732 -21.1732 -21.1182 -21.1182 -20.5130 -20.5130 -20.4345 -20.4345 -18.8066 -18.8066 -14.0990 -14.0990 -7.4362 -7.4362 -7.3181 -7.3181 -5.1007 -5.1007 -4.7297 -4.7297 -4.6826 -4.6826 -4.3877 -4.3877 -4.2424 -4.2424 -4.1379 -4.1379 -2.5606 -2.5606 -2.4984 -2.4984 -2.3930 -2.3930 -2.1649 -2.1649 -1.9955 -1.9955 -1.9060 -1.9060 -1.7680 -1.7680 -1.6863 -1.6863 -1.5740 -1.5740 -1.5480 -1.5480 -1.4939 -1.4939 -1.1214 -1.1214 -0.9843 -0.9843 -0.9560 -0.9560 -0.0070 -0.0070 0.0724 0.0724 3.0620 3.0620 3.2386 3.2386 5.8669 5.8669 6.7066 6.7066 8.7460 8.7460 9.5104 9.5104 k = 0.1457-0.2136 0.5526 ( 6958 PWs) bands (ev): -22.1374 -22.1374 -21.2144 -21.2144 -21.1725 -21.1725 -21.1179 -21.1179 -20.5133 -20.5133 -20.4342 -20.4342 -18.8066 -18.8066 -14.0984 -14.0984 -7.4395 -7.4395 -7.3216 -7.3216 -5.0937 -5.0937 -4.7245 -4.7245 -4.6762 -4.6762 -4.3964 -4.3964 -4.2516 -4.2516 -4.1412 -4.1412 -2.5558 -2.5558 -2.4979 -2.4979 -2.3945 -2.3945 -2.1542 -2.1542 -1.9949 -1.9949 -1.9082 -1.9082 -1.7750 -1.7750 -1.6877 -1.6877 -1.5711 -1.5711 -1.5461 -1.5461 -1.4927 -1.4927 -1.1173 -1.1173 -0.9852 -0.9852 -0.9557 -0.9557 -0.0078 -0.0078 0.0671 0.0671 3.0599 3.0599 3.2527 3.2527 5.8659 5.8659 6.7143 6.7143 8.7460 8.7460 9.4537 9.4537 k = 0.1353-0.1983 0.5526 ( 6968 PWs) bands (ev): -22.1382 -22.1382 -21.2142 -21.2142 -21.1719 -21.1719 -21.1177 -21.1177 -20.5136 -20.5136 -20.4340 -20.4340 -18.8067 -18.8067 -14.0978 -14.0978 -7.4428 -7.4428 -7.3250 -7.3250 -5.0868 -5.0868 -4.7190 -4.7190 -4.6695 -4.6695 -4.4055 -4.4055 -4.2611 -4.2611 -4.1446 -4.1446 -2.5508 -2.5508 -2.4972 -2.4972 -2.3958 -2.3958 -2.1432 -2.1432 -1.9939 -1.9939 -1.9107 -1.9107 -1.7823 -1.7823 -1.6893 -1.6893 -1.5684 -1.5684 -1.5446 -1.5446 -1.4916 -1.4916 -1.1133 -1.1133 -0.9860 -0.9860 -0.9552 -0.9552 -0.0084 -0.0084 0.0622 0.0622 3.0577 3.0577 3.2664 3.2664 5.8654 5.8654 6.7216 6.7216 8.7456 8.7456 9.3993 9.3993 k = 0.1249-0.1830 0.5526 ( 6974 PWs) bands (ev): -22.1389 -22.1389 -21.2141 -21.2141 -21.1713 -21.1713 -21.1174 -21.1174 -20.5138 -20.5138 -20.4339 -20.4339 -18.8068 -18.8068 -14.0973 -14.0973 -7.4460 -7.4460 -7.3281 -7.3281 -5.0800 -5.0800 -4.7135 -4.7135 -4.6625 -4.6625 -4.4152 -4.4152 -4.2708 -4.2708 -4.1478 -4.1478 -2.5455 -2.5455 -2.4961 -2.4961 -2.3970 -2.3970 -2.1318 -2.1318 -1.9927 -1.9927 -1.9136 -1.9136 -1.7899 -1.7899 -1.6912 -1.6912 -1.5659 -1.5659 -1.5436 -1.5436 -1.4905 -1.4905 -1.1094 -1.1094 -0.9868 -0.9868 -0.9546 -0.9546 -0.0090 -0.0090 0.0579 0.0579 3.0553 3.0553 3.2797 3.2797 5.8652 5.8652 6.7284 6.7284 8.7451 8.7451 9.3475 9.3475 k = 0.1145-0.1678 0.5526 ( 6968 PWs) bands (ev): -22.1396 -22.1396 -21.2140 -21.2140 -21.1707 -21.1707 -21.1171 -21.1171 -20.5140 -20.5140 -20.4337 -20.4337 -18.8069 -18.8069 -14.0967 -14.0967 -7.4491 -7.4491 -7.3310 -7.3310 -5.0736 -5.0736 -4.7077 -4.7077 -4.6554 -4.6554 -4.4251 -4.4251 -4.2806 -4.2806 -4.1508 -4.1508 -2.5403 -2.5403 -2.4949 -2.4949 -2.3980 -2.3980 -2.1202 -2.1202 -1.9913 -1.9913 -1.9167 -1.9167 -1.7975 -1.7975 -1.6932 -1.6932 -1.5637 -1.5637 -1.5429 -1.5429 -1.4894 -1.4894 -1.1055 -1.1055 -0.9875 -0.9875 -0.9539 -0.9539 -0.0096 -0.0096 0.0542 0.0542 3.0529 3.0529 3.2924 3.2924 5.8653 5.8653 6.7347 6.7347 8.7443 8.7443 9.2988 9.2988 k = 0.1041-0.1525 0.5526 ( 6972 PWs) bands (ev): -22.1403 -22.1403 -21.2139 -21.2139 -21.1702 -21.1702 -21.1169 -21.1169 -20.5142 -20.5142 -20.4336 -20.4336 -18.8069 -18.8069 -14.0962 -14.0962 -7.4520 -7.4520 -7.3337 -7.3337 -5.0674 -5.0674 -4.7019 -4.7019 -4.6482 -4.6482 -4.4353 -4.4353 -4.2903 -4.2903 -4.1537 -4.1537 -2.5350 -2.5350 -2.4934 -2.4934 -2.3989 -2.3989 -2.1087 -2.1087 -1.9897 -1.9897 -1.9202 -1.9202 -1.8052 -1.8052 -1.6953 -1.6953 -1.5618 -1.5618 -1.5424 -1.5424 -1.4884 -1.4884 -1.1019 -1.1019 -0.9882 -0.9882 -0.9531 -0.9531 -0.0103 -0.0103 0.0512 0.0512 3.0504 3.0504 3.3045 3.3045 5.8656 5.8656 6.7405 6.7405 8.7433 8.7433 9.2534 9.2534 k = 0.0936-0.1373 0.5526 ( 6974 PWs) bands (ev): -22.1409 -22.1409 -21.2138 -21.2138 -21.1697 -21.1697 -21.1166 -21.1166 -20.5143 -20.5143 -20.4334 -20.4334 -18.8070 -18.8070 -14.0957 -14.0957 -7.4547 -7.4547 -7.3361 -7.3361 -5.0616 -5.0616 -4.6960 -4.6960 -4.6409 -4.6409 -4.4457 -4.4457 -4.2998 -4.2998 -4.1564 -4.1564 -2.5300 -2.5300 -2.4918 -2.4918 -2.3997 -2.3997 -2.0972 -2.0972 -1.9879 -1.9879 -1.9240 -1.9240 -1.8126 -1.8126 -1.6974 -1.6974 -1.5603 -1.5603 -1.5422 -1.5422 -1.4875 -1.4875 -1.0984 -1.0984 -0.9888 -0.9888 -0.9523 -0.9523 -0.0113 -0.0113 0.0489 0.0489 3.0480 3.0480 3.3159 3.3159 5.8660 5.8660 6.7457 6.7457 8.7422 8.7422 9.2115 9.2115 k = 0.0832-0.1220 0.5526 ( 6972 PWs) bands (ev): -22.1415 -22.1415 -21.2137 -21.2137 -21.1692 -21.1692 -21.1164 -21.1164 -20.5144 -20.5144 -20.4333 -20.4333 -18.8071 -18.8071 -14.0953 -14.0953 -7.4573 -7.4573 -7.3383 -7.3383 -5.0561 -5.0561 -4.6902 -4.6902 -4.6337 -4.6337 -4.4561 -4.4561 -4.3090 -4.3090 -4.1588 -4.1588 -2.5251 -2.5251 -2.4902 -2.4902 -2.4003 -2.4003 -2.0861 -2.0861 -1.9861 -1.9861 -1.9279 -1.9279 -1.8198 -1.8198 -1.6995 -1.6995 -1.5590 -1.5590 -1.5421 -1.5421 -1.4866 -1.4866 -1.0952 -1.0952 -0.9893 -0.9893 -0.9515 -0.9515 -0.0125 -0.0125 0.0472 0.0472 3.0457 3.0457 3.3264 3.3264 5.8667 5.8667 6.7504 6.7504 8.7411 8.7411 9.1735 9.1735 k = 0.0728-0.1068 0.5526 ( 6972 PWs) bands (ev): -22.1420 -22.1420 -21.2137 -21.2137 -21.1688 -21.1688 -21.1162 -21.1162 -20.5144 -20.5144 -20.4332 -20.4332 -18.8072 -18.8072 -14.0949 -14.0949 -7.4596 -7.4596 -7.3403 -7.3403 -5.0512 -5.0512 -4.6845 -4.6845 -4.6265 -4.6265 -4.4664 -4.4664 -4.3177 -4.3177 -4.1610 -4.1610 -2.5207 -2.5207 -2.4885 -2.4885 -2.4008 -2.4008 -2.0753 -2.0753 -1.9843 -1.9843 -1.9320 -1.9320 -1.8266 -1.8266 -1.7015 -1.7015 -1.5580 -1.5580 -1.5421 -1.5421 -1.4858 -1.4858 -1.0923 -1.0923 -0.9897 -0.9897 -0.9508 -0.9508 -0.0139 -0.0139 0.0462 0.0462 3.0435 3.0435 3.3359 3.3359 5.8673 5.8673 6.7546 6.7546 8.7400 8.7400 9.1395 9.1395 k = 0.0624-0.0915 0.5526 ( 6966 PWs) bands (ev): -22.1424 -22.1424 -21.2136 -21.2136 -21.1685 -21.1685 -21.1160 -21.1160 -20.5145 -20.5145 -20.4331 -20.4331 -18.8072 -18.8072 -14.0946 -14.0946 -7.4616 -7.4616 -7.3420 -7.3420 -5.0468 -5.0468 -4.6791 -4.6791 -4.6194 -4.6194 -4.4764 -4.4764 -4.3257 -4.3257 -4.1629 -4.1629 -2.5166 -2.5166 -2.4868 -2.4868 -2.4013 -2.4013 -2.0652 -2.0652 -1.9826 -1.9826 -1.9362 -1.9362 -1.8328 -1.8328 -1.7033 -1.7033 -1.5573 -1.5573 -1.5422 -1.5422 -1.4850 -1.4850 -1.0897 -1.0897 -0.9901 -0.9901 -0.9500 -0.9500 -0.0154 -0.0154 0.0457 0.0457 3.0415 3.0415 3.3443 3.3443 5.8680 5.8680 6.7582 6.7582 8.7389 8.7389 9.1097 9.1097 k = 0.0520-0.0763 0.5526 ( 6972 PWs) bands (ev): -22.1428 -22.1428 -21.2136 -21.2136 -21.1681 -21.1681 -21.1159 -21.1159 -20.5145 -20.5145 -20.4330 -20.4330 -18.8073 -18.8073 -14.0943 -14.0943 -7.4633 -7.4633 -7.3434 -7.3434 -5.0430 -5.0430 -4.6740 -4.6740 -4.6126 -4.6126 -4.4860 -4.4860 -4.3328 -4.3328 -4.1645 -4.1645 -2.5131 -2.5131 -2.4853 -2.4853 -2.4016 -2.4016 -2.0558 -2.0558 -1.9810 -1.9810 -1.9404 -1.9404 -1.8383 -1.8383 -1.7049 -1.7049 -1.5568 -1.5568 -1.5422 -1.5422 -1.4844 -1.4844 -1.0875 -1.0875 -0.9904 -0.9904 -0.9494 -0.9494 -0.0169 -0.0169 0.0455 0.0455 3.0397 3.0397 3.3517 3.3517 5.8687 5.8687 6.7613 6.7613 8.7379 8.7379 9.0842 9.0842 k = 0.0416-0.0610 0.5526 ( 6972 PWs) bands (ev): -22.1431 -22.1431 -21.2136 -21.2136 -21.1679 -21.1679 -21.1157 -21.1157 -20.5146 -20.5146 -20.4330 -20.4330 -18.8073 -18.8073 -14.0941 -14.0941 -7.4648 -7.4648 -7.3446 -7.3446 -5.0398 -5.0398 -4.6696 -4.6696 -4.6063 -4.6063 -4.4948 -4.4948 -4.3390 -4.3390 -4.1659 -4.1659 -2.5101 -2.5101 -2.4840 -2.4840 -2.4018 -2.4018 -2.0474 -2.0474 -1.9796 -1.9796 -1.9444 -1.9444 -1.8430 -1.8430 -1.7063 -1.7063 -1.5565 -1.5565 -1.5423 -1.5423 -1.4839 -1.4839 -1.0856 -1.0856 -0.9907 -0.9907 -0.9488 -0.9488 -0.0183 -0.0183 0.0455 0.0455 3.0382 3.0382 3.3578 3.3578 5.8693 5.8693 6.7638 6.7638 8.7370 8.7370 9.0632 9.0632 k = 0.0312-0.0458 0.5526 ( 6966 PWs) bands (ev): -22.1433 -22.1433 -21.2136 -21.2136 -21.1677 -21.1677 -21.1156 -21.1156 -20.5146 -20.5146 -20.4329 -20.4329 -18.8073 -18.8073 -14.0939 -14.0939 -7.4659 -7.4659 -7.3455 -7.3455 -5.0372 -5.0372 -4.6658 -4.6658 -4.6006 -4.6006 -4.5025 -4.5025 -4.3440 -4.3440 -4.1669 -4.1669 -2.5077 -2.5077 -2.4829 -2.4829 -2.4020 -2.4020 -2.0403 -2.0403 -1.9784 -1.9784 -1.9481 -1.9481 -1.8467 -1.8467 -1.7075 -1.7075 -1.5564 -1.5564 -1.5423 -1.5423 -1.4834 -1.4834 -1.0842 -1.0842 -0.9909 -0.9909 -0.9484 -0.9484 -0.0195 -0.0195 0.0457 0.0457 3.0370 3.0370 3.3626 3.3626 5.8699 5.8699 6.7657 6.7657 8.7363 8.7363 9.0467 9.0467 k = 0.0208-0.0305 0.5526 ( 6960 PWs) bands (ev): -22.1435 -22.1435 -21.2136 -21.2136 -21.1675 -21.1675 -21.1156 -21.1156 -20.5146 -20.5146 -20.4329 -20.4329 -18.8074 -18.8074 -14.0938 -14.0938 -7.4668 -7.4668 -7.3462 -7.3462 -5.0354 -5.0354 -4.6630 -4.6630 -4.5960 -4.5960 -4.5087 -4.5087 -4.3476 -4.3476 -4.1677 -4.1677 -2.5060 -2.5060 -2.4820 -2.4820 -2.4021 -2.4021 -2.0348 -2.0348 -1.9775 -1.9775 -1.9511 -1.9511 -1.8495 -1.8495 -1.7083 -1.7083 -1.5563 -1.5563 -1.5423 -1.5423 -1.4831 -1.4831 -1.0831 -1.0831 -0.9910 -0.9910 -0.9480 -0.9480 -0.0204 -0.0204 0.0459 0.0459 3.0362 3.0362 3.3660 3.3660 5.8703 5.8703 6.7671 6.7671 8.7358 8.7358 9.0349 9.0349 k = 0.0104-0.0153 0.5526 ( 6962 PWs) bands (ev): -22.1436 -22.1436 -21.2136 -21.2136 -21.1674 -21.1674 -21.1155 -21.1155 -20.5146 -20.5146 -20.4329 -20.4329 -18.8074 -18.8074 -14.0937 -14.0937 -7.4673 -7.4673 -7.3466 -7.3466 -5.0343 -5.0343 -4.6612 -4.6612 -4.5929 -4.5929 -4.5128 -4.5128 -4.3499 -4.3499 -4.1681 -4.1681 -2.5050 -2.5050 -2.4815 -2.4815 -2.4022 -2.4022 -2.0313 -2.0313 -1.9769 -1.9769 -1.9531 -1.9531 -1.8512 -1.8512 -1.7088 -1.7088 -1.5563 -1.5563 -1.5423 -1.5423 -1.4829 -1.4829 -1.0824 -1.0824 -0.9911 -0.9911 -0.9478 -0.9478 -0.0210 -0.0210 0.0460 0.0460 3.0356 3.0356 3.3681 3.3681 5.8705 5.8705 6.7680 6.7680 8.7355 8.7355 9.0278 9.0278 k = 0.0000 0.0000 0.5526 ( 6960 PWs) bands (ev): -22.1436 -22.1436 -21.2136 -21.2136 -21.1674 -21.1674 -21.1155 -21.1155 -20.5146 -20.5146 -20.4329 -20.4329 -18.8074 -18.8074 -14.0937 -14.0937 -7.4674 -7.4674 -7.3467 -7.3467 -5.0339 -5.0339 -4.6606 -4.6606 -4.5918 -4.5918 -4.5143 -4.5143 -4.3507 -4.3507 -4.1683 -4.1683 -2.5046 -2.5046 -2.4814 -2.4814 -2.4022 -2.4022 -2.0301 -2.0301 -1.9767 -1.9767 -1.9538 -1.9538 -1.8517 -1.8517 -1.7090 -1.7090 -1.5563 -1.5563 -1.5424 -1.5424 -1.4829 -1.4829 -1.0822 -1.0822 -0.9911 -0.9911 -0.9478 -0.9478 -0.0212 -0.0212 0.0461 0.0461 3.0354 3.0354 3.3689 3.3689 5.8706 5.8706 6.7682 6.7682 8.7354 8.7354 9.0254 9.0254 k = 0.0000 0.0000 0.5526 ( 6960 PWs) bands (ev): -22.1436 -22.1436 -21.2136 -21.2136 -21.1674 -21.1674 -21.1155 -21.1155 -20.5146 -20.5146 -20.4329 -20.4329 -18.8074 -18.8074 -14.0937 -14.0937 -7.4674 -7.4674 -7.3467 -7.3467 -5.0339 -5.0339 -4.6606 -4.6606 -4.5918 -4.5918 -4.5143 -4.5143 -4.3507 -4.3507 -4.1683 -4.1683 -2.5046 -2.5046 -2.4814 -2.4814 -2.4022 -2.4022 -2.0301 -2.0301 -1.9767 -1.9767 -1.9538 -1.9538 -1.8517 -1.8517 -1.7090 -1.7090 -1.5563 -1.5563 -1.5424 -1.5424 -1.4829 -1.4829 -1.0822 -1.0822 -0.9911 -0.9911 -0.9478 -0.9478 -0.0212 -0.0212 0.0461 0.0461 3.0354 3.0354 3.3689 3.3689 5.8706 5.8706 6.7682 6.7682 8.7354 8.7354 9.0254 9.0254 k = 0.0155 0.0106 0.5526 ( 6961 PWs) bands (ev): -22.1436 -22.1436 -21.2136 -21.2136 -21.1675 -21.1675 -21.1155 -21.1155 -20.5146 -20.5146 -20.4329 -20.4329 -18.8074 -18.8074 -14.0937 -14.0937 -7.4672 -7.4672 -7.3463 -7.3463 -5.0348 -5.0348 -4.6613 -4.6613 -4.5924 -4.5924 -4.5134 -4.5134 -4.3502 -4.3502 -4.1674 -4.1674 -2.5044 -2.5044 -2.4817 -2.4817 -2.4020 -2.4020 -2.0307 -2.0307 -1.9776 -1.9776 -1.9534 -1.9534 -1.8514 -1.8514 -1.7086 -1.7086 -1.5565 -1.5565 -1.5426 -1.5426 -1.4831 -1.4831 -1.0825 -1.0825 -0.9910 -0.9910 -0.9478 -0.9478 -0.0207 -0.0207 0.0468 0.0468 3.0356 3.0356 3.3676 3.3676 5.8703 5.8703 6.7677 6.7677 8.7344 8.7344 9.0278 9.0278 k = 0.0310 0.0211 0.5526 ( 6958 PWs) bands (ev): -22.1434 -22.1434 -21.2137 -21.2137 -21.1676 -21.1676 -21.1156 -21.1156 -20.5144 -20.5144 -20.4330 -20.4330 -18.8074 -18.8074 -14.0939 -14.0939 -7.4667 -7.4667 -7.3452 -7.3452 -5.0375 -5.0375 -4.6634 -4.6634 -4.5942 -4.5942 -4.5110 -4.5110 -4.3489 -4.3489 -4.1646 -4.1646 -2.5038 -2.5038 -2.4826 -2.4826 -2.4015 -2.4015 -2.0325 -2.0325 -1.9799 -1.9799 -1.9525 -1.9525 -1.8504 -1.8504 -1.7076 -1.7076 -1.5573 -1.5573 -1.5434 -1.5434 -1.4837 -1.4837 -1.0834 -1.0834 -0.9905 -0.9905 -0.9478 -0.9478 -0.0192 -0.0192 0.0490 0.0490 3.0363 3.0363 3.3638 3.3638 5.8696 5.8696 6.7660 6.7660 8.7316 8.7316 9.0349 9.0349 k = 0.0464 0.0317 0.5526 ( 6960 PWs) bands (ev): -22.1431 -22.1431 -21.2138 -21.2138 -21.1679 -21.1679 -21.1158 -21.1158 -20.5140 -20.5140 -20.4331 -20.4331 -18.8074 -18.8074 -14.0941 -14.0941 -7.4658 -7.4658 -7.3434 -7.3434 -5.0420 -5.0420 -4.6666 -4.6666 -4.5970 -4.5970 -4.5073 -4.5073 -4.3467 -4.3467 -4.1602 -4.1602 -2.5030 -2.5030 -2.4837 -2.4837 -2.4005 -2.4005 -2.0353 -2.0353 -1.9834 -1.9834 -1.9512 -1.9512 -1.8487 -1.8487 -1.7059 -1.7059 -1.5586 -1.5586 -1.5448 -1.5448 -1.4847 -1.4847 -1.0849 -1.0849 -0.9897 -0.9897 -0.9478 -0.9478 -0.0168 -0.0168 0.0526 0.0526 3.0372 3.0372 3.3576 3.3576 5.8684 5.8684 6.7632 6.7632 8.7272 8.7272 9.0464 9.0464 k = 0.0619 0.0422 0.5526 ( 6966 PWs) bands (ev): -22.1427 -22.1427 -21.2141 -21.2141 -21.1682 -21.1682 -21.1160 -21.1160 -20.5136 -20.5136 -20.4333 -20.4333 -18.8074 -18.8074 -14.0945 -14.0945 -7.4646 -7.4646 -7.3409 -7.3409 -5.0481 -5.0481 -4.6708 -4.6708 -4.6006 -4.6006 -4.5025 -4.5025 -4.3438 -4.3438 -4.1544 -4.1544 -2.5024 -2.5024 -2.4846 -2.4846 -2.3993 -2.3993 -2.0391 -2.0391 -1.9877 -1.9877 -1.9500 -1.9500 -1.8465 -1.8465 -1.7037 -1.7037 -1.5605 -1.5605 -1.5467 -1.5467 -1.4860 -1.4860 -1.0869 -1.0869 -0.9886 -0.9886 -0.9478 -0.9478 -0.0135 -0.0135 0.0576 0.0576 3.0386 3.0386 3.3489 3.3489 5.8668 5.8668 6.7593 6.7593 8.7217 8.7217 9.0619 9.0619 k = 0.0774 0.0528 0.5526 ( 6967 PWs) bands (ev): -22.1421 -22.1421 -21.2143 -21.2143 -21.1687 -21.1687 -21.1162 -21.1162 -20.5131 -20.5131 -20.4335 -20.4335 -18.8074 -18.8074 -14.0949 -14.0949 -7.4631 -7.4631 -7.3377 -7.3377 -5.0556 -5.0556 -4.6757 -4.6757 -4.6049 -4.6049 -4.4970 -4.4970 -4.3402 -4.3402 -4.1473 -4.1473 -2.5028 -2.5028 -2.4844 -2.4844 -2.3976 -2.3976 -2.0438 -2.0438 -1.9924 -1.9924 -1.9490 -1.9490 -1.8438 -1.8438 -1.7012 -1.7012 -1.5630 -1.5630 -1.5492 -1.5492 -1.4876 -1.4876 -1.0895 -1.0895 -0.9873 -0.9873 -0.9478 -0.9478 -0.0094 -0.0094 0.0640 0.0640 3.0402 3.0402 3.3381 3.3381 5.8650 5.8650 6.7544 6.7544 8.7156 8.7156 9.0808 9.0808 k = 0.0929 0.0634 0.5526 ( 6970 PWs) bands (ev): -22.1414 -22.1414 -21.2146 -21.2146 -21.1693 -21.1693 -21.1165 -21.1165 -20.5124 -20.5124 -20.4338 -20.4338 -18.8074 -18.8074 -14.0955 -14.0955 -7.4612 -7.4612 -7.3338 -7.3338 -5.0643 -5.0643 -4.6811 -4.6811 -4.6097 -4.6097 -4.4910 -4.4910 -4.3360 -4.3360 -4.1393 -4.1393 -2.5046 -2.5046 -2.4825 -2.4825 -2.3955 -2.3955 -2.0491 -2.0491 -1.9974 -1.9974 -1.9482 -1.9482 -1.8407 -1.8407 -1.6986 -1.6986 -1.5662 -1.5662 -1.5522 -1.5522 -1.4894 -1.4894 -1.0925 -1.0925 -0.9857 -0.9857 -0.9477 -0.9477 -0.0046 -0.0046 0.0716 0.0716 3.0420 3.0420 3.3252 3.3252 5.8629 5.8629 6.7484 6.7484 8.7092 8.7092 9.1027 9.1027 k = 0.1084 0.0739 0.5526 ( 6969 PWs) bands (ev): -22.1407 -22.1407 -21.2150 -21.2150 -21.1699 -21.1699 -21.1169 -21.1169 -20.5116 -20.5116 -20.4341 -20.4341 -18.8074 -18.8074 -14.0961 -14.0961 -7.4590 -7.4590 -7.3294 -7.3294 -5.0741 -5.0741 -4.6868 -4.6868 -4.6149 -4.6149 -4.4849 -4.4849 -4.3314 -4.3314 -4.1307 -4.1307 -2.5075 -2.5075 -2.4790 -2.4790 -2.3931 -2.3931 -2.0548 -2.0548 -2.0025 -2.0025 -1.9478 -1.9478 -1.8373 -1.8373 -1.6961 -1.6961 -1.5702 -1.5702 -1.5557 -1.5557 -1.4914 -1.4914 -1.0959 -1.0959 -0.9839 -0.9839 -0.9477 -0.9477 0.0009 0.0009 0.0805 0.0805 3.0440 3.0440 3.3104 3.3104 5.8609 5.8609 6.7413 6.7413 8.7027 8.7027 9.1274 9.1274 k = 0.1239 0.0845 0.5526 ( 6976 PWs) bands (ev): -22.1398 -22.1398 -21.2154 -21.2154 -21.1706 -21.1706 -21.1173 -21.1173 -20.5108 -20.5108 -20.4344 -20.4344 -18.8074 -18.8074 -14.0968 -14.0968 -7.4566 -7.4566 -7.3244 -7.3244 -5.0847 -5.0847 -4.6925 -4.6925 -4.6204 -4.6204 -4.4787 -4.4787 -4.3264 -4.3264 -4.1220 -4.1220 -2.5108 -2.5108 -2.4742 -2.4742 -2.3902 -2.3902 -2.0609 -2.0609 -2.0075 -2.0075 -1.9477 -1.9477 -1.8337 -1.8337 -1.6941 -1.6941 -1.5749 -1.5749 -1.5596 -1.5596 -1.4934 -1.4934 -1.0997 -1.0997 -0.9819 -0.9819 -0.9475 -0.9475 0.0070 0.0070 0.0904 0.0904 3.0461 3.0461 3.2940 3.2940 5.8589 5.8589 6.7333 6.7333 8.6964 8.6964 9.1545 9.1545 k = 0.1393 0.0950 0.5526 ( 6969 PWs) bands (ev): -22.1388 -22.1388 -21.2159 -21.2159 -21.1714 -21.1714 -21.1177 -21.1177 -20.5098 -20.5098 -20.4348 -20.4348 -18.8074 -18.8074 -14.0976 -14.0976 -7.4538 -7.4538 -7.3189 -7.3189 -5.0958 -5.0958 -4.6982 -4.6982 -4.6260 -4.6260 -4.4727 -4.4727 -4.3210 -4.3210 -4.1133 -4.1133 -2.5141 -2.5141 -2.4685 -2.4685 -2.3870 -2.3870 -2.0672 -2.0672 -2.0121 -2.0121 -1.9481 -1.9481 -1.8299 -1.8299 -1.6929 -1.6929 -1.5805 -1.5805 -1.5637 -1.5637 -1.4955 -1.4955 -1.1038 -1.1038 -0.9798 -0.9798 -0.9473 -0.9473 0.0136 0.0136 0.1011 0.1011 3.0481 3.0481 3.2761 3.2761 5.8572 5.8572 6.7242 6.7242 8.6904 8.6904 9.1839 9.1839 k = 0.1548 0.1056 0.5526 ( 6977 PWs) bands (ev): -22.1378 -22.1378 -21.2165 -21.2165 -21.1723 -21.1723 -21.1181 -21.1181 -20.5088 -20.5088 -20.4353 -20.4353 -18.8074 -18.8074 -14.0985 -14.0985 -7.4509 -7.4509 -7.3130 -7.3130 -5.1073 -5.1073 -4.7038 -4.7038 -4.6316 -4.6316 -4.4668 -4.4668 -4.3156 -4.3156 -4.1051 -4.1051 -2.5171 -2.5171 -2.4621 -2.4621 -2.3834 -2.3834 -2.0734 -2.0734 -2.0163 -2.0163 -1.9487 -1.9487 -1.8261 -1.8261 -1.6929 -1.6929 -1.5868 -1.5868 -1.5679 -1.5679 -1.4976 -1.4976 -1.1081 -1.1081 -0.9776 -0.9776 -0.9470 -0.9470 0.0208 0.0208 0.1125 0.1125 3.0500 3.0500 3.2571 3.2571 5.8559 5.8559 6.7143 6.7143 8.6848 8.6848 9.2154 9.2154 k = 0.1703 0.1162 0.5526 ( 6980 PWs) bands (ev): -22.1367 -22.1367 -21.2171 -21.2171 -21.1732 -21.1732 -21.1185 -21.1185 -20.5077 -20.5077 -20.4357 -20.4357 -18.8074 -18.8074 -14.0994 -14.0994 -7.4477 -7.4477 -7.3066 -7.3066 -5.1190 -5.1190 -4.7091 -4.7091 -4.6373 -4.6373 -4.4613 -4.4613 -4.3100 -4.3100 -4.0976 -4.0976 -2.5194 -2.5194 -2.4549 -2.4549 -2.3794 -2.3794 -2.0794 -2.0794 -2.0200 -2.0200 -1.9498 -1.9498 -1.8223 -1.8223 -1.6944 -1.6944 -1.5939 -1.5939 -1.5721 -1.5721 -1.4997 -1.4997 -1.1126 -1.1126 -0.9753 -0.9753 -0.9466 -0.9466 0.0284 0.0284 0.1243 0.1243 3.0517 3.0517 3.2372 3.2372 5.8552 5.8552 6.7035 6.7035 8.6794 8.6794 9.2489 9.2489 k = 0.1858 0.1267 0.5526 ( 6976 PWs) bands (ev): -22.1355 -22.1355 -21.2177 -21.2177 -21.1742 -21.1742 -21.1190 -21.1190 -20.5065 -20.5065 -20.4362 -20.4362 -18.8074 -18.8074 -14.1003 -14.1003 -7.4444 -7.4444 -7.3000 -7.3000 -5.1307 -5.1307 -4.7141 -4.7141 -4.6428 -4.6428 -4.4561 -4.4561 -4.3045 -4.3045 -4.0910 -4.0910 -2.5208 -2.5208 -2.4472 -2.4472 -2.3750 -2.3750 -2.0851 -2.0851 -2.0229 -2.0229 -1.9512 -1.9512 -1.8186 -1.8186 -1.6977 -1.6977 -1.6016 -1.6016 -1.5759 -1.5759 -1.5017 -1.5017 -1.1172 -1.1172 -0.9730 -0.9730 -0.9460 -0.9460 0.0364 0.0364 0.1365 0.1365 3.0531 3.0531 3.2167 3.2167 5.8552 5.8552 6.6919 6.6919 8.6744 8.6744 9.2842 9.2842 k = 0.2013 0.1373 0.5526 ( 6966 PWs) bands (ev): -22.1343 -22.1343 -21.2184 -21.2184 -21.1752 -21.1752 -21.1194 -21.1194 -20.5053 -20.5053 -20.4367 -20.4367 -18.8074 -18.8074 -14.1013 -14.1013 -7.4409 -7.4409 -7.2931 -7.2931 -5.1422 -5.1422 -4.7187 -4.7187 -4.6482 -4.6482 -4.4513 -4.4513 -4.2991 -4.2991 -4.0857 -4.0857 -2.5212 -2.5212 -2.4389 -2.4389 -2.3702 -2.3702 -2.0902 -2.0902 -2.0251 -2.0251 -1.9530 -1.9530 -1.8151 -1.8151 -1.7032 -1.7032 -1.6101 -1.6101 -1.5794 -1.5794 -1.5038 -1.5038 -1.1218 -1.1218 -0.9708 -0.9708 -0.9452 -0.9452 0.0447 0.0447 0.1486 0.1486 3.0541 3.0541 3.1959 3.1959 5.8560 5.8560 6.6796 6.6796 8.6695 8.6695 9.3212 9.3212 k = 0.2168 0.1479 0.5526 ( 6960 PWs) bands (ev): -22.1330 -22.1330 -21.2192 -21.2192 -21.1762 -21.1762 -21.1198 -21.1198 -20.5040 -20.5040 -20.4372 -20.4372 -18.8074 -18.8074 -14.1023 -14.1023 -7.4373 -7.4373 -7.2861 -7.2861 -5.1534 -5.1534 -4.7230 -4.7230 -4.6533 -4.6533 -4.4470 -4.4470 -4.2939 -4.2939 -4.0818 -4.0818 -2.5203 -2.5203 -2.4304 -2.4304 -2.3650 -2.3650 -2.0946 -2.0946 -2.0265 -2.0265 -1.9550 -1.9550 -1.8118 -1.8118 -1.7108 -1.7108 -1.6191 -1.6191 -1.5824 -1.5824 -1.5059 -1.5059 -1.1263 -1.1263 -0.9685 -0.9685 -0.9443 -0.9443 0.0534 0.0534 0.1607 0.1607 3.0546 3.0546 3.1752 3.1752 5.8579 5.8579 6.6665 6.6665 8.6649 8.6649 9.3596 9.3596 k = 0.2322 0.1584 0.5526 ( 6965 PWs) bands (ev): -22.1317 -22.1317 -21.2200 -21.2200 -21.1773 -21.1773 -21.1202 -21.1202 -20.5028 -20.5028 -20.4377 -20.4377 -18.8075 -18.8075 -14.1033 -14.1033 -7.4336 -7.4336 -7.2789 -7.2789 -5.1641 -5.1641 -4.7267 -4.7267 -4.6582 -4.6582 -4.4430 -4.4430 -4.2890 -4.2890 -4.0793 -4.0793 -2.5181 -2.5181 -2.4215 -2.4215 -2.3593 -2.3593 -2.0981 -2.0981 -2.0271 -2.0271 -1.9574 -1.9574 -1.8089 -1.8089 -1.7205 -1.7205 -1.6286 -1.6286 -1.5851 -1.5851 -1.5079 -1.5079 -1.1307 -1.1307 -0.9664 -0.9664 -0.9431 -0.9431 0.0622 0.0622 0.1724 0.1724 3.0544 3.0544 3.1547 3.1547 5.8609 5.8609 6.6528 6.6528 8.6604 8.6604 9.3992 9.3992 k = 0.2477 0.1690 0.5526 ( 6963 PWs) bands (ev): -22.1303 -22.1303 -21.2208 -21.2208 -21.1784 -21.1784 -21.1206 -21.1206 -20.5015 -20.5015 -20.4382 -20.4382 -18.8075 -18.8075 -14.1043 -14.1043 -7.4299 -7.4299 -7.2717 -7.2717 -5.1743 -5.1743 -4.7301 -4.7301 -4.6628 -4.6628 -4.4396 -4.4396 -4.2843 -4.2843 -4.0783 -4.0783 -2.5146 -2.5146 -2.4125 -2.4125 -2.3531 -2.3531 -2.1007 -2.1007 -2.0269 -2.0269 -1.9601 -1.9601 -1.8065 -1.8065 -1.7320 -1.7320 -1.6386 -1.6386 -1.5875 -1.5875 -1.5100 -1.5100 -1.1349 -1.1349 -0.9643 -0.9643 -0.9419 -0.9419 0.0711 0.0711 0.1837 0.1837 3.0534 3.0534 3.1351 3.1351 5.8650 5.8650 6.6385 6.6385 8.6559 8.6559 9.4394 9.4394 k = 0.2632 0.1795 0.5526 ( 6959 PWs) bands (ev): -22.1290 -22.1290 -21.2217 -21.2217 -21.1795 -21.1795 -21.1209 -21.1209 -20.5003 -20.5003 -20.4387 -20.4387 -18.8075 -18.8075 -14.1054 -14.1054 -7.4261 -7.4261 -7.2645 -7.2645 -5.1838 -5.1838 -4.7329 -4.7329 -4.6670 -4.6670 -4.4366 -4.4366 -4.2800 -4.2800 -4.0788 -4.0788 -2.5097 -2.5097 -2.4036 -2.4036 -2.3465 -2.3465 -2.1020 -2.1020 -2.0260 -2.0260 -1.9630 -1.9630 -1.8049 -1.8049 -1.7449 -1.7449 -1.6489 -1.6489 -1.5898 -1.5898 -1.5120 -1.5120 -1.1390 -1.1390 -0.9623 -0.9623 -0.9404 -0.9404 0.0800 0.0800 0.1944 0.1944 3.0512 3.0512 3.1167 3.1167 5.8704 5.8704 6.6237 6.6237 8.6515 8.6515 9.4795 9.4795 k = 0.2787 0.1901 0.5526 ( 6957 PWs) bands (ev): -22.1277 -22.1277 -21.2225 -21.2225 -21.1806 -21.1806 -21.1213 -21.1213 -20.4990 -20.4990 -20.4392 -20.4392 -18.8075 -18.8075 -14.1064 -14.1064 -7.4224 -7.4224 -7.2574 -7.2574 -5.1927 -5.1927 -4.7354 -4.7354 -4.6708 -4.6708 -4.4341 -4.4341 -4.2761 -4.2761 -4.0808 -4.0808 -2.5034 -2.5034 -2.3947 -2.3947 -2.3392 -2.3392 -2.1020 -2.1020 -2.0246 -2.0246 -1.9662 -1.9662 -1.8045 -1.8045 -1.7586 -1.7586 -1.6594 -1.6594 -1.5922 -1.5922 -1.5141 -1.5141 -1.1427 -1.1427 -0.9603 -0.9603 -0.9389 -0.9389 0.0889 0.0889 0.2044 0.2044 3.0473 3.0473 3.1004 3.1004 5.8771 5.8771 6.6085 6.6085 8.6472 8.6472 9.5187 9.5187 k = 0.2942 0.2007 0.5526 ( 6952 PWs) bands (ev): -22.1263 -22.1263 -21.2234 -21.2234 -21.1816 -21.1816 -21.1216 -21.1216 -20.4978 -20.4978 -20.4397 -20.4397 -18.8076 -18.8076 -14.1074 -14.1074 -7.4188 -7.4188 -7.2505 -7.2505 -5.2009 -5.2009 -4.7373 -4.7373 -4.6742 -4.6742 -4.4320 -4.4320 -4.2726 -4.2726 -4.0841 -4.0841 -2.4960 -2.4960 -2.3862 -2.3862 -2.3315 -2.3315 -2.1005 -2.1005 -2.0227 -2.0227 -1.9695 -1.9695 -1.8064 -1.8064 -1.7719 -1.7719 -1.6700 -1.6700 -1.5948 -1.5948 -1.5160 -1.5160 -1.1462 -1.1462 -0.9585 -0.9585 -0.9372 -0.9372 0.0975 0.0975 0.2136 0.2136 3.0409 3.0409 3.0870 3.0870 5.8849 5.8849 6.5929 6.5929 8.6429 8.6429 9.5555 9.5555 k = 0.3096 0.2112 0.5526 ( 6943 PWs) bands (ev): -22.1250 -22.1250 -21.2243 -21.2243 -21.1827 -21.1827 -21.1218 -21.1218 -20.4966 -20.4966 -20.4402 -20.4402 -18.8076 -18.8076 -14.1083 -14.1083 -7.4152 -7.4152 -7.2438 -7.2438 -5.2084 -5.2084 -4.7389 -4.7389 -4.6771 -4.6771 -4.4305 -4.4305 -4.2695 -4.2695 -4.0885 -4.0885 -2.4875 -2.4875 -2.3780 -2.3780 -2.3232 -2.3232 -2.0974 -2.0974 -2.0206 -2.0206 -1.9730 -1.9730 -1.8126 -1.8126 -1.7826 -1.7826 -1.6804 -1.6804 -1.5977 -1.5977 -1.5180 -1.5180 -1.1494 -1.1494 -0.9567 -0.9567 -0.9355 -0.9355 0.1059 0.1059 0.2220 0.2220 3.0316 3.0316 3.0772 3.0772 5.8939 5.8939 6.5770 6.5770 8.6387 8.6387 9.5882 9.5882 k = 0.3251 0.2218 0.5526 ( 6939 PWs) bands (ev): -22.1238 -22.1238 -21.2251 -21.2251 -21.1837 -21.1837 -21.1220 -21.1220 -20.4954 -20.4954 -20.4406 -20.4406 -18.8076 -18.8076 -14.1092 -14.1092 -7.4118 -7.4118 -7.2374 -7.2374 -5.2151 -5.2151 -4.7400 -4.7400 -4.6796 -4.6796 -4.4294 -4.4294 -4.2668 -4.2668 -4.0939 -4.0939 -2.4781 -2.4781 -2.3704 -2.3704 -2.3143 -2.3143 -2.0928 -2.0928 -2.0186 -2.0186 -1.9765 -1.9765 -1.8241 -1.8241 -1.7896 -1.7896 -1.6903 -1.6903 -1.6009 -1.6009 -1.5199 -1.5199 -1.1522 -1.1522 -0.9550 -0.9550 -0.9338 -0.9338 0.1140 0.1140 0.2296 0.2296 3.0202 3.0202 3.0704 3.0704 5.9041 5.9041 6.5610 6.5610 8.6345 8.6345 9.6148 9.6148 k = 0.3406 0.2323 0.5526 ( 6925 PWs) bands (ev): -22.1226 -22.1226 -21.2260 -21.2260 -21.1846 -21.1846 -21.1222 -21.1222 -20.4943 -20.4943 -20.4411 -20.4411 -18.8077 -18.8077 -14.1101 -14.1101 -7.4085 -7.4085 -7.2313 -7.2313 -5.2211 -5.2211 -4.7408 -4.7408 -4.6816 -4.6816 -4.4288 -4.4288 -4.2645 -4.2645 -4.1000 -4.1000 -2.4680 -2.4680 -2.3635 -2.3635 -2.3049 -2.3049 -2.0864 -2.0864 -2.0171 -2.0171 -1.9799 -1.9799 -1.8389 -1.8389 -1.7948 -1.7948 -1.6996 -1.6996 -1.6043 -1.6043 -1.5217 -1.5217 -1.1547 -1.1547 -0.9534 -0.9534 -0.9321 -0.9321 0.1216 0.1216 0.2362 0.2362 3.0079 3.0079 3.0655 3.0655 5.9151 5.9151 6.5448 6.5448 8.6305 8.6305 9.6335 9.6335 k = 0.3561 0.2429 0.5526 ( 6925 PWs) bands (ev): -22.1215 -22.1215 -21.2268 -21.2268 -21.1855 -21.1855 -21.1224 -21.1224 -20.4933 -20.4933 -20.4415 -20.4415 -18.8077 -18.8077 -14.1109 -14.1109 -7.4055 -7.4055 -7.2256 -7.2256 -5.2264 -5.2264 -4.7412 -4.7412 -4.6832 -4.6832 -4.4287 -4.4287 -4.2625 -4.2625 -4.1066 -4.1066 -2.4574 -2.4574 -2.3573 -2.3573 -2.2950 -2.2950 -2.0785 -2.0785 -2.0165 -2.0165 -1.9828 -1.9828 -1.8547 -1.8547 -1.8003 -1.8003 -1.7077 -1.7077 -1.6080 -1.6080 -1.5234 -1.5234 -1.1568 -1.1568 -0.9518 -0.9518 -0.9305 -0.9305 0.1287 0.1287 0.2421 0.2421 2.9958 2.9958 3.0617 3.0617 5.9269 5.9269 6.5288 6.5288 8.6267 8.6267 9.6439 9.6439 k = 0.3716 0.2535 0.5526 ( 6925 PWs) bands (ev): -22.1205 -22.1205 -21.2275 -21.2275 -21.1863 -21.1863 -21.1226 -21.1226 -20.4924 -20.4924 -20.4418 -20.4418 -18.8077 -18.8077 -14.1117 -14.1117 -7.4026 -7.4026 -7.2204 -7.2204 -5.2311 -5.2311 -4.7414 -4.7414 -4.6844 -4.6844 -4.4289 -4.4289 -4.2609 -4.2609 -4.1134 -4.1134 -2.4467 -2.4467 -2.3518 -2.3518 -2.2846 -2.2846 -2.0692 -2.0692 -2.0174 -2.0174 -1.9851 -1.9851 -1.8702 -1.8702 -1.8072 -1.8072 -1.7145 -1.7145 -1.6119 -1.6119 -1.5251 -1.5251 -1.1587 -1.1587 -0.9504 -0.9504 -0.9290 -0.9290 0.1353 0.1353 0.2470 0.2470 2.9844 2.9844 3.0585 3.0585 5.9393 5.9393 6.5129 6.5129 8.6231 8.6231 9.6471 9.6471 k = 0.3871 0.2640 0.5526 ( 6923 PWs) bands (ev): -22.1195 -22.1195 -21.2282 -21.2282 -21.1871 -21.1871 -21.1227 -21.1227 -20.4915 -20.4915 -20.4422 -20.4422 -18.8078 -18.8078 -14.1124 -14.1124 -7.4001 -7.4001 -7.2157 -7.2157 -5.2351 -5.2351 -4.7413 -4.7413 -4.6852 -4.6852 -4.4294 -4.4294 -4.2595 -4.2595 -4.1201 -4.1201 -2.4361 -2.4361 -2.3471 -2.3471 -2.2739 -2.2739 -2.0586 -2.0586 -2.0202 -2.0202 -1.9867 -1.9867 -1.8845 -1.8845 -1.8157 -1.8157 -1.7198 -1.7198 -1.6158 -1.6158 -1.5266 -1.5266 -1.1602 -1.1602 -0.9490 -0.9490 -0.9275 -0.9275 0.1412 0.1412 0.2512 0.2512 2.9740 2.9740 3.0556 3.0556 5.9519 5.9519 6.4975 6.4975 8.6198 8.6198 9.6450 9.6450 k = 0.4025 0.2746 0.5526 ( 6925 PWs) bands (ev): -22.1187 -22.1187 -21.2288 -21.2288 -21.1878 -21.1878 -21.1228 -21.1228 -20.4908 -20.4908 -20.4425 -20.4425 -18.8078 -18.8078 -14.1130 -14.1130 -7.3978 -7.3978 -7.2114 -7.2114 -5.2385 -5.2385 -4.7411 -4.7411 -4.6856 -4.6856 -4.4302 -4.4302 -4.2585 -4.2585 -4.1266 -4.1266 -2.4259 -2.4259 -2.3432 -2.3432 -2.2630 -2.2630 -2.0474 -2.0474 -2.0244 -2.0244 -1.9879 -1.9879 -1.8971 -1.8971 -1.8259 -1.8259 -1.7237 -1.7237 -1.6197 -1.6197 -1.5279 -1.5279 -1.1614 -1.1614 -0.9478 -0.9478 -0.9263 -0.9263 0.1465 0.1465 0.2547 0.2547 2.9648 2.9648 3.0530 3.0530 5.9645 5.9645 6.4827 6.4827 8.6169 8.6169 9.6397 9.6397 k = 0.4180 0.2851 0.5526 ( 6917 PWs) bands (ev): -22.1180 -22.1180 -21.2294 -21.2294 -21.1884 -21.1884 -21.1229 -21.1229 -20.4901 -20.4901 -20.4427 -20.4427 -18.8078 -18.8078 -14.1135 -14.1135 -7.3958 -7.3958 -7.2077 -7.2077 -5.2414 -5.2414 -4.7407 -4.7407 -4.6859 -4.6859 -4.4311 -4.4311 -4.2576 -4.2576 -4.1325 -4.1325 -2.4163 -2.4163 -2.3400 -2.3400 -2.2522 -2.2522 -2.0385 -2.0385 -2.0270 -2.0270 -1.9891 -1.9891 -1.9073 -1.9073 -1.8372 -1.8372 -1.7265 -1.7265 -1.6233 -1.6233 -1.5291 -1.5291 -1.1624 -1.1624 -0.9467 -0.9467 -0.9251 -0.9251 0.1510 0.1510 0.2575 0.2575 2.9569 2.9569 3.0508 3.0508 5.9766 5.9766 6.4689 6.4689 8.6142 8.6142 9.6328 9.6328 k = 0.4335 0.2957 0.5526 ( 6918 PWs) bands (ev): -22.1173 -22.1173 -21.2299 -21.2299 -21.1889 -21.1889 -21.1229 -21.1229 -20.4896 -20.4896 -20.4430 -20.4430 -18.8079 -18.8079 -14.1140 -14.1140 -7.3941 -7.3941 -7.2046 -7.2046 -5.2438 -5.2438 -4.7403 -4.7403 -4.6860 -4.6860 -4.4321 -4.4321 -4.2570 -4.2570 -4.1376 -4.1376 -2.4078 -2.4078 -2.3374 -2.3374 -2.2418 -2.2418 -2.0412 -2.0412 -2.0187 -2.0187 -1.9906 -1.9906 -1.9150 -1.9150 -1.8494 -1.8494 -1.7284 -1.7284 -1.6266 -1.6266 -1.5302 -1.5302 -1.1632 -1.1632 -0.9458 -0.9458 -0.9242 -0.9242 0.1548 0.1548 0.2597 0.2597 2.9504 2.9504 3.0488 3.0488 5.9878 5.9878 6.4564 6.4564 8.6120 8.6120 9.6255 9.6255 k = 0.4490 0.3063 0.5526 ( 6915 PWs) bands (ev): -22.1168 -22.1168 -21.2302 -21.2302 -21.1893 -21.1893 -21.1230 -21.1230 -20.4891 -20.4891 -20.4431 -20.4431 -18.8079 -18.8079 -14.1143 -14.1143 -7.3927 -7.3927 -7.2021 -7.2021 -5.2457 -5.2457 -4.7399 -4.7399 -4.6859 -4.6859 -4.4330 -4.4330 -4.2565 -4.2565 -4.1418 -4.1418 -2.4005 -2.4005 -2.3354 -2.3354 -2.2323 -2.2323 -2.0480 -2.0480 -2.0069 -2.0069 -1.9923 -1.9923 -1.9202 -1.9202 -1.8615 -1.8615 -1.7296 -1.7296 -1.6294 -1.6294 -1.5310 -1.5310 -1.1637 -1.1637 -0.9450 -0.9450 -0.9234 -0.9234 0.1578 0.1578 0.2614 0.2614 2.9453 2.9453 3.0472 3.0472 5.9977 5.9977 6.4455 6.4455 8.6102 8.6102 9.6189 9.6189 k = 0.4645 0.3168 0.5526 ( 6923 PWs) bands (ev): -22.1165 -22.1165 -21.2305 -21.2305 -21.1896 -21.1896 -21.1230 -21.1230 -20.4888 -20.4888 -20.4433 -20.4433 -18.8079 -18.8079 -14.1146 -14.1146 -7.3917 -7.3917 -7.2003 -7.2003 -5.2471 -5.2471 -4.7396 -4.7396 -4.6859 -4.6859 -4.4338 -4.4338 -4.2562 -4.2562 -4.1449 -4.1449 -2.3948 -2.3948 -2.3339 -2.3339 -2.2244 -2.2244 -2.0546 -2.0546 -1.9970 -1.9970 -1.9928 -1.9928 -1.9234 -1.9234 -1.8727 -1.8727 -1.7304 -1.7304 -1.6316 -1.6316 -1.5316 -1.5316 -1.1641 -1.1641 -0.9445 -0.9445 -0.9228 -0.9228 0.1601 0.1601 0.2626 0.2626 2.9416 2.9416 3.0460 3.0460 6.0059 6.0059 6.4368 6.4368 8.6088 8.6088 9.6134 9.6134 k = 0.4799 0.3274 0.5526 ( 6920 PWs) bands (ev): -22.1162 -22.1162 -21.2307 -21.2307 -21.1898 -21.1898 -21.1230 -21.1230 -20.4886 -20.4886 -20.4434 -20.4434 -18.8079 -18.8079 -14.1148 -14.1148 -7.3911 -7.3911 -7.1990 -7.1990 -5.2481 -5.2481 -4.7393 -4.7393 -4.6858 -4.6858 -4.4343 -4.4343 -4.2560 -4.2560 -4.1469 -4.1469 -2.3909 -2.3909 -2.3330 -2.3330 -2.2188 -2.2188 -2.0595 -2.0595 -1.9966 -1.9966 -1.9861 -1.9861 -1.9250 -1.9250 -1.8815 -1.8815 -1.7308 -1.7308 -1.6331 -1.6331 -1.5321 -1.5321 -1.1643 -1.1643 -0.9441 -0.9441 -0.9225 -0.9225 0.1616 0.1616 0.2632 0.2632 2.9392 2.9392 3.0452 3.0452 6.0118 6.0118 6.4305 6.4305 8.6078 8.6078 9.6097 9.6097 k = 0.4954 0.3380 0.5526 ( 6918 PWs) bands (ev): -22.1161 -22.1161 -21.2308 -21.2308 -21.1899 -21.1899 -21.1230 -21.1230 -20.4885 -20.4885 -20.4434 -20.4434 -18.8079 -18.8079 -14.1148 -14.1148 -7.3908 -7.3908 -7.1984 -7.1984 -5.2487 -5.2487 -4.7391 -4.7391 -4.6859 -4.6859 -4.4345 -4.4345 -4.2560 -4.2560 -4.1477 -4.1477 -2.3889 -2.3889 -2.3326 -2.3326 -2.2164 -2.2164 -2.0617 -2.0617 -1.9977 -1.9977 -1.9819 -1.9819 -1.9255 -1.9255 -1.8859 -1.8859 -1.7309 -1.7309 -1.6337 -1.6337 -1.5323 -1.5323 -1.1643 -1.1643 -0.9440 -0.9440 -0.9223 -0.9223 0.1623 0.1623 0.2635 0.2635 2.9383 2.9383 3.0447 3.0447 6.0151 6.0151 6.4270 6.4270 8.6073 8.6073 9.6078 9.6078 k = 0.5000 0.3411-0.0061 ( 6936 PWs) bands (ev): -22.1472 -22.1472 -21.2319 -21.2319 -21.1918 -21.1918 -21.0861 -21.0861 -20.4867 -20.4867 -20.4397 -20.4397 -18.8083 -18.8083 -14.1124 -14.1124 -7.4862 -7.4862 -7.1271 -7.1271 -5.2652 -5.2652 -4.8446 -4.8446 -4.7167 -4.7167 -4.3705 -4.3705 -4.2168 -4.2168 -3.9363 -3.9363 -2.6311 -2.6311 -2.4959 -2.4959 -2.3932 -2.3932 -2.1165 -2.1165 -2.0057 -2.0057 -1.8113 -1.8113 -1.7696 -1.7696 -1.6830 -1.6830 -1.6705 -1.6705 -1.6368 -1.6368 -1.3829 -1.3829 -1.1556 -1.1556 -1.0619 -1.0619 -0.9665 -0.9665 0.1364 0.1364 0.2818 0.2818 2.8704 2.8704 3.0762 3.0762 5.3357 5.3357 6.9237 6.9237 8.8970 8.8970 9.4448 9.4448 k = 0.5103 0.3260-0.0061 ( 6950 PWs) bands (ev): -22.1472 -22.1472 -21.2319 -21.2319 -21.1918 -21.1918 -21.0861 -21.0861 -20.4868 -20.4868 -20.4397 -20.4397 -18.8083 -18.8083 -14.1124 -14.1124 -7.4865 -7.4865 -7.1271 -7.1271 -5.2650 -5.2650 -4.8442 -4.8442 -4.7164 -4.7164 -4.3705 -4.3705 -4.2170 -4.2170 -3.9372 -3.9372 -2.6309 -2.6309 -2.4958 -2.4958 -2.3927 -2.3927 -2.1164 -2.1164 -2.0063 -2.0063 -1.8109 -1.8109 -1.7691 -1.7691 -1.6833 -1.6833 -1.6707 -1.6707 -1.6373 -1.6373 -1.3830 -1.3830 -1.1556 -1.1556 -1.0619 -1.0619 -0.9665 -0.9665 0.1363 0.1363 0.2811 0.2811 2.8705 2.8705 3.0764 3.0764 5.3368 5.3368 6.9234 6.9234 8.8971 8.8971 9.4461 9.4461 k = 0.5206 0.3109-0.0061 ( 6958 PWs) bands (ev): -22.1473 -22.1473 -21.2318 -21.2318 -21.1918 -21.1918 -21.0861 -21.0861 -20.4869 -20.4869 -20.4396 -20.4396 -18.8083 -18.8083 -14.1123 -14.1123 -7.4872 -7.4872 -7.1270 -7.1270 -5.2644 -5.2644 -4.8430 -4.8430 -4.7155 -4.7155 -4.3706 -4.3706 -4.2173 -4.2173 -3.9397 -3.9397 -2.6302 -2.6302 -2.4954 -2.4954 -2.3912 -2.3912 -2.1161 -2.1161 -2.0079 -2.0079 -1.8097 -1.8097 -1.7676 -1.7676 -1.6839 -1.6839 -1.6712 -1.6712 -1.6389 -1.6389 -1.3833 -1.3833 -1.1557 -1.1557 -1.0616 -1.0616 -0.9665 -0.9665 0.1360 0.1360 0.2788 0.2788 2.8710 2.8710 3.0770 3.0770 5.3399 5.3399 6.9225 6.9225 8.8975 8.8975 9.4500 9.4500 k = 0.5308 0.2958-0.0061 ( 6958 PWs) bands (ev): -22.1474 -22.1474 -21.2317 -21.2317 -21.1917 -21.1917 -21.0861 -21.0861 -20.4871 -20.4871 -20.4395 -20.4395 -18.8083 -18.8083 -14.1122 -14.1122 -7.4884 -7.4884 -7.1268 -7.1268 -5.2634 -5.2634 -4.8409 -4.8409 -4.7139 -4.7139 -4.3707 -4.3707 -4.2180 -4.2180 -3.9440 -3.9440 -2.6291 -2.6291 -2.4948 -2.4948 -2.3886 -2.3886 -2.1156 -2.1156 -2.0105 -2.0105 -1.8078 -1.8078 -1.7652 -1.7652 -1.6852 -1.6852 -1.6720 -1.6720 -1.6414 -1.6414 -1.3837 -1.3837 -1.1557 -1.1557 -1.0611 -1.0611 -0.9665 -0.9665 0.1356 0.1356 0.2750 0.2750 2.8719 2.8719 3.0779 3.0779 5.3452 5.3452 6.9210 6.9210 8.8980 8.8980 9.4563 9.4563 k = 0.5411 0.2808-0.0061 ( 6966 PWs) bands (ev): -22.1475 -22.1475 -21.2314 -21.2314 -21.1916 -21.1916 -21.0861 -21.0861 -20.4873 -20.4873 -20.4394 -20.4394 -18.8082 -18.8082 -14.1121 -14.1121 -7.4901 -7.4901 -7.1265 -7.1265 -5.2620 -5.2620 -4.8381 -4.8381 -4.7117 -4.7117 -4.3709 -4.3709 -4.2189 -4.2189 -3.9499 -3.9499 -2.6277 -2.6277 -2.4939 -2.4939 -2.3850 -2.3850 -2.1148 -2.1148 -2.0140 -2.0140 -1.8052 -1.8052 -1.7618 -1.7618 -1.6871 -1.6871 -1.6731 -1.6731 -1.6447 -1.6447 -1.3842 -1.3842 -1.1557 -1.1557 -1.0604 -1.0604 -0.9664 -0.9664 0.1349 0.1349 0.2697 0.2697 2.8731 2.8731 3.0791 3.0791 5.3524 5.3524 6.9189 6.9189 8.8987 8.8987 9.4643 9.4643 k = 0.5514 0.2657-0.0061 ( 6966 PWs) bands (ev): -22.1477 -22.1477 -21.2311 -21.2311 -21.1916 -21.1916 -21.0862 -21.0862 -20.4877 -20.4877 -20.4393 -20.4393 -18.8082 -18.8082 -14.1120 -14.1120 -7.4922 -7.4922 -7.1261 -7.1261 -5.2602 -5.2602 -4.8345 -4.8345 -4.7089 -4.7089 -4.3711 -4.3711 -4.2199 -4.2199 -3.9574 -3.9574 -2.6259 -2.6259 -2.4928 -2.4928 -2.3806 -2.3806 -2.1138 -2.1138 -2.0183 -2.0183 -1.8020 -1.8020 -1.7577 -1.7577 -1.6898 -1.6898 -1.6746 -1.6746 -1.6484 -1.6484 -1.3849 -1.3849 -1.1559 -1.1559 -1.0595 -1.0595 -0.9664 -0.9664 0.1340 0.1340 0.2631 0.2631 2.8747 2.8747 3.0807 3.0807 5.3616 5.3616 6.9162 6.9162 8.8994 8.8994 9.4718 9.4718 k = 0.5617 0.2506-0.0061 ( 6962 PWs) bands (ev): -22.1479 -22.1479 -21.2308 -21.2308 -21.1914 -21.1914 -21.0862 -21.0862 -20.4881 -20.4881 -20.4391 -20.4391 -18.8081 -18.8081 -14.1118 -14.1118 -7.4949 -7.4949 -7.1256 -7.1256 -5.2581 -5.2581 -4.8300 -4.8300 -4.7055 -4.7055 -4.3715 -4.3715 -4.2212 -4.2212 -3.9664 -3.9664 -2.6238 -2.6238 -2.4914 -2.4914 -2.3753 -2.3753 -2.1125 -2.1125 -2.0233 -2.0233 -1.7985 -1.7985 -1.7527 -1.7527 -1.6934 -1.6934 -1.6766 -1.6766 -1.6521 -1.6521 -1.3856 -1.3856 -1.1561 -1.1561 -1.0584 -1.0584 -0.9664 -0.9664 0.1329 0.1329 0.2553 0.2553 2.8767 2.8767 3.0827 3.0827 5.3726 5.3726 6.9129 6.9129 8.9001 8.9001 9.4734 9.4734 k = 0.5720 0.2356-0.0061 ( 6960 PWs) bands (ev): -22.1481 -22.1481 -21.2304 -21.2304 -21.1913 -21.1913 -21.0863 -21.0863 -20.4886 -20.4886 -20.4389 -20.4389 -18.8081 -18.8081 -14.1116 -14.1116 -7.4979 -7.4979 -7.1251 -7.1251 -5.2556 -5.2556 -4.8248 -4.8248 -4.7017 -4.7017 -4.3720 -4.3720 -4.2226 -4.2226 -3.9767 -3.9767 -2.6214 -2.6214 -2.4898 -2.4898 -2.3694 -2.3694 -2.1109 -2.1109 -2.0289 -2.0289 -1.7946 -1.7946 -1.7472 -1.7472 -1.6980 -1.6980 -1.6795 -1.6795 -1.6553 -1.6553 -1.3865 -1.3865 -1.1564 -1.1564 -1.0570 -1.0570 -0.9665 -0.9665 0.1315 0.1315 0.2464 0.2464 2.8792 2.8792 3.0849 3.0849 5.3852 5.3852 6.9089 6.9089 8.9006 8.9006 9.4612 9.4612 k = 0.5823 0.2205-0.0061 ( 6958 PWs) bands (ev): -22.1484 -22.1484 -21.2299 -21.2299 -21.1911 -21.1911 -21.0863 -21.0863 -20.4891 -20.4891 -20.4387 -20.4387 -18.8080 -18.8080 -14.1113 -14.1113 -7.5014 -7.5014 -7.1244 -7.1244 -5.2528 -5.2528 -4.8188 -4.8188 -4.6974 -4.6974 -4.3726 -4.3726 -4.2241 -4.2241 -3.9883 -3.9883 -2.6189 -2.6189 -2.4879 -2.4879 -2.3629 -2.3629 -2.1090 -2.1090 -2.0349 -2.0349 -1.7907 -1.7907 -1.7412 -1.7412 -1.7034 -1.7034 -1.6832 -1.6832 -1.6575 -1.6575 -1.3873 -1.3873 -1.1570 -1.1570 -1.0554 -1.0554 -0.9666 -0.9666 0.1298 0.1298 0.2365 0.2365 2.8821 2.8821 3.0875 3.0875 5.3994 5.3994 6.9042 6.9042 8.9007 8.9007 9.4368 9.4368 k = 0.5925 0.2054-0.0061 ( 6960 PWs) bands (ev): -22.1487 -22.1487 -21.2294 -21.2294 -21.1909 -21.1909 -21.0864 -21.0864 -20.4897 -20.4897 -20.4385 -20.4385 -18.8080 -18.8080 -14.1110 -14.1110 -7.5054 -7.5054 -7.1237 -7.1237 -5.2497 -5.2497 -4.8121 -4.8121 -4.6926 -4.6926 -4.3734 -4.3734 -4.2257 -4.2257 -4.0011 -4.0011 -2.6163 -2.6163 -2.4858 -2.4858 -2.3560 -2.3560 -2.1067 -2.1067 -2.0412 -2.0412 -1.7868 -1.7868 -1.7355 -1.7355 -1.7092 -1.7092 -1.6875 -1.6875 -1.6588 -1.6588 -1.3882 -1.3882 -1.1577 -1.1577 -1.0536 -1.0536 -0.9668 -0.9668 0.1278 0.1278 0.2259 0.2259 2.8855 2.8855 3.0903 3.0903 5.4149 5.4149 6.8990 6.8990 8.9005 8.9005 9.4062 9.4062 k = 0.6028 0.1903-0.0061 ( 6964 PWs) bands (ev): -22.1491 -22.1491 -21.2288 -21.2288 -21.1907 -21.1907 -21.0864 -21.0864 -20.4903 -20.4903 -20.4382 -20.4382 -18.8079 -18.8079 -14.1107 -14.1107 -7.5097 -7.5097 -7.1228 -7.1228 -5.2464 -5.2464 -4.8047 -4.8047 -4.6875 -4.6875 -4.3744 -4.3744 -4.2272 -4.2272 -4.0149 -4.0149 -2.6137 -2.6137 -2.4834 -2.4834 -2.3490 -2.3490 -2.1040 -2.1040 -2.0476 -2.0476 -1.7832 -1.7832 -1.7317 -1.7317 -1.7138 -1.7138 -1.6919 -1.6919 -1.6594 -1.6594 -1.3890 -1.3890 -1.1586 -1.1586 -1.0515 -1.0515 -0.9672 -0.9672 0.1253 0.1253 0.2147 0.2147 2.8894 2.8894 3.0934 3.0934 5.4316 5.4316 6.8930 6.8930 8.8997 8.8997 9.3726 9.3726 k = 0.6131 0.1753-0.0061 ( 6968 PWs) bands (ev): -22.1495 -22.1495 -21.2282 -21.2282 -21.1904 -21.1904 -21.0865 -21.0865 -20.4910 -20.4910 -20.4379 -20.4379 -18.8078 -18.8078 -14.1104 -14.1104 -7.5144 -7.5144 -7.1219 -7.1219 -5.2427 -5.2427 -4.7966 -4.7966 -4.6822 -4.6822 -4.3757 -4.3757 -4.2288 -4.2288 -4.0295 -4.0295 -2.6112 -2.6112 -2.4808 -2.4808 -2.3419 -2.3419 -2.1010 -2.1010 -2.0540 -2.0540 -1.7802 -1.7802 -1.7337 -1.7337 -1.7137 -1.7137 -1.6952 -1.6952 -1.6595 -1.6595 -1.3897 -1.3897 -1.1597 -1.1597 -1.0492 -1.0492 -0.9676 -0.9676 0.1223 0.1223 0.2034 0.2034 2.8939 2.8939 3.0968 3.0968 5.4492 5.4492 6.8864 6.8864 8.8983 8.8983 9.3374 9.3374 k = 0.6234 0.1602-0.0061 ( 6968 PWs) bands (ev): -22.1500 -22.1500 -21.2275 -21.2275 -21.1901 -21.1901 -21.0866 -21.0866 -20.4918 -20.4918 -20.4376 -20.4376 -18.8077 -18.8077 -14.1100 -14.1100 -7.5195 -7.5195 -7.1208 -7.1208 -5.2388 -5.2388 -4.7878 -4.7878 -4.6765 -4.6765 -4.3772 -4.3772 -4.2303 -4.2303 -4.0448 -4.0448 -2.6088 -2.6088 -2.4780 -2.4780 -2.3350 -2.3350 -2.0975 -2.0975 -2.0602 -2.0602 -1.7787 -1.7787 -1.7394 -1.7394 -1.7122 -1.7122 -1.6952 -1.6952 -1.6593 -1.6593 -1.3904 -1.3904 -1.1611 -1.1611 -1.0468 -1.0468 -0.9682 -0.9682 0.1186 0.1186 0.1921 0.1921 2.8989 2.8989 3.1003 3.1003 5.4674 5.4674 6.8792 6.8792 8.8961 8.8961 9.3016 9.3016 k = 0.6337 0.1451-0.0061 ( 6970 PWs) bands (ev): -22.1505 -22.1505 -21.2268 -21.2268 -21.1897 -21.1897 -21.0867 -21.0867 -20.4926 -20.4926 -20.4373 -20.4373 -18.8077 -18.8077 -14.1096 -14.1096 -7.5249 -7.5249 -7.1196 -7.1196 -5.2348 -5.2348 -4.7785 -4.7785 -4.6708 -4.6708 -4.3790 -4.3790 -4.2317 -4.2317 -4.0606 -4.0606 -2.6068 -2.6068 -2.4750 -2.4750 -2.3287 -2.3287 -2.0936 -2.0936 -2.0660 -2.0660 -1.7797 -1.7797 -1.7445 -1.7445 -1.7140 -1.7140 -1.6902 -1.6902 -1.6589 -1.6589 -1.3909 -1.3909 -1.1626 -1.1626 -1.0443 -1.0443 -0.9689 -0.9689 0.1141 0.1141 0.1812 0.1812 2.9046 2.9046 3.1041 3.1041 5.4861 5.4861 6.8714 6.8714 8.8931 8.8931 9.2660 9.2660 k = 0.3663-0.5370-0.0000 ( 6970 PWs) bands (ev): -22.1505 -22.1505 -21.2268 -21.2268 -21.1897 -21.1897 -21.0867 -21.0867 -20.4926 -20.4926 -20.4373 -20.4373 -18.8077 -18.8077 -14.1096 -14.1096 -7.5249 -7.5249 -7.1196 -7.1196 -5.2348 -5.2348 -4.7785 -4.7785 -4.6708 -4.6708 -4.3790 -4.3790 -4.2317 -4.2317 -4.0606 -4.0606 -2.6068 -2.6068 -2.4750 -2.4750 -2.3287 -2.3287 -2.0936 -2.0936 -2.0660 -2.0660 -1.7797 -1.7797 -1.7445 -1.7445 -1.7140 -1.7140 -1.6902 -1.6902 -1.6589 -1.6589 -1.3909 -1.3909 -1.1626 -1.1626 -1.0443 -1.0443 -0.9689 -0.9689 0.1141 0.1141 0.1812 0.1812 2.9046 2.9046 3.1041 3.1041 5.4861 5.4861 6.8714 6.8714 8.8931 8.8931 9.2660 9.2660 k = 0.3559-0.5217-0.0000 ( 6976 PWs) bands (ev): -22.1510 -22.1510 -21.2261 -21.2261 -21.1893 -21.1893 -21.0868 -21.0868 -20.4934 -20.4934 -20.4370 -20.4370 -18.8076 -18.8076 -14.1092 -14.1092 -7.5307 -7.5307 -7.1183 -7.1183 -5.2304 -5.2304 -4.7685 -4.7685 -4.6648 -4.6648 -4.3811 -4.3811 -4.2329 -4.2329 -4.0770 -4.0770 -2.6050 -2.6050 -2.4718 -2.4718 -2.3230 -2.3230 -2.0893 -2.0893 -2.0714 -2.0714 -1.7845 -1.7845 -1.7469 -1.7469 -1.7178 -1.7178 -1.6823 -1.6823 -1.6584 -1.6584 -1.3912 -1.3912 -1.1643 -1.1643 -1.0417 -1.0417 -0.9699 -0.9699 0.1084 0.1084 0.1709 0.1709 2.9111 2.9111 3.1081 3.1081 5.5053 5.5053 6.8629 6.8629 8.8892 8.8892 9.2303 9.2303 k = 0.3454-0.5064-0.0000 ( 6972 PWs) bands (ev): -22.1516 -22.1516 -21.2253 -21.2253 -21.1889 -21.1889 -21.0868 -21.0868 -20.4943 -20.4943 -20.4367 -20.4367 -18.8075 -18.8075 -14.1087 -14.1087 -7.5368 -7.5368 -7.1169 -7.1169 -5.2259 -5.2259 -4.7580 -4.7580 -4.6587 -4.6587 -4.3836 -4.3836 -4.2340 -4.2340 -4.0935 -4.0935 -2.6037 -2.6037 -2.4686 -2.4686 -2.3185 -2.3185 -2.0845 -2.0845 -2.0761 -2.0761 -1.7924 -1.7924 -1.7465 -1.7465 -1.7219 -1.7219 -1.6734 -1.6734 -1.6576 -1.6576 -1.3913 -1.3913 -1.1662 -1.1662 -1.0391 -1.0391 -0.9711 -0.9711 0.1016 0.1016 0.1617 0.1617 2.9183 2.9183 3.1122 3.1122 5.5243 5.5243 6.8538 6.8538 8.8843 8.8843 9.1959 9.1959 k = 0.3349-0.4910-0.0000 ( 6968 PWs) bands (ev): -22.1523 -22.1523 -21.2245 -21.2245 -21.1883 -21.1883 -21.0869 -21.0869 -20.4952 -20.4952 -20.4363 -20.4363 -18.8075 -18.8075 -14.1082 -14.1082 -7.5432 -7.5432 -7.1154 -7.1154 -5.2213 -5.2213 -4.7473 -4.7473 -4.6527 -4.6527 -4.3865 -4.3865 -4.2350 -4.2350 -4.1098 -4.1098 -2.6030 -2.6030 -2.4654 -2.4654 -2.3154 -2.3154 -2.0800 -2.0800 -2.0791 -2.0791 -1.8020 -1.8020 -1.7445 -1.7445 -1.7259 -1.7259 -1.6648 -1.6648 -1.6560 -1.6560 -1.3913 -1.3913 -1.1683 -1.1683 -1.0366 -1.0366 -0.9724 -0.9724 0.0937 0.0937 0.1538 0.1538 2.9263 2.9263 3.1164 3.1164 5.5428 5.5428 6.8443 6.8443 8.8783 8.8783 9.1631 9.1631 k = 0.3245-0.4757-0.0000 ( 6972 PWs) bands (ev): -22.1530 -22.1530 -21.2236 -21.2236 -21.1878 -21.1878 -21.0870 -21.0870 -20.4961 -20.4961 -20.4360 -20.4360 -18.8074 -18.8074 -14.1077 -14.1077 -7.5498 -7.5498 -7.1138 -7.1138 -5.2165 -5.2165 -4.7363 -4.7363 -4.6468 -4.6468 -4.3897 -4.3897 -4.2357 -4.2357 -4.1258 -4.1258 -2.6028 -2.6028 -2.4624 -2.4624 -2.3141 -2.3141 -2.0823 -2.0823 -2.0740 -2.0740 -1.8119 -1.8119 -1.7419 -1.7419 -1.7295 -1.7295 -1.6598 -1.6598 -1.6506 -1.6506 -1.3910 -1.3910 -1.1704 -1.1704 -1.0343 -1.0343 -0.9741 -0.9741 0.0850 0.0850 0.1471 0.1471 2.9350 2.9350 3.1208 3.1208 5.5604 5.5604 6.8346 6.8346 8.8713 8.8713 9.1322 9.1322 k = 0.3140-0.4603-0.0000 ( 6970 PWs) bands (ev): -22.1537 -22.1537 -21.2227 -21.2227 -21.1871 -21.1871 -21.0871 -21.0871 -20.4971 -20.4971 -20.4357 -20.4357 -18.8074 -18.8074 -14.1072 -14.1072 -7.5567 -7.5567 -7.1121 -7.1121 -5.2117 -5.2117 -4.7253 -4.7253 -4.6411 -4.6411 -4.3933 -4.3933 -4.2364 -4.2364 -4.1410 -4.1410 -2.6032 -2.6032 -2.4596 -2.4596 -2.3146 -2.3146 -2.0837 -2.0837 -2.0683 -2.0683 -1.8215 -1.8215 -1.7397 -1.7397 -1.7319 -1.7319 -1.6584 -1.6584 -1.6415 -1.6415 -1.3904 -1.3904 -1.1727 -1.1727 -1.0322 -1.0322 -0.9759 -0.9759 0.0758 0.0758 0.1415 0.1415 2.9445 2.9445 3.1252 3.1252 5.5769 5.5769 6.8246 6.8246 8.8633 8.8633 9.1038 9.1038 k = 0.3035-0.4450-0.0000 ( 6966 PWs) bands (ev): -22.1545 -22.1545 -21.2219 -21.2219 -21.1865 -21.1865 -21.0872 -21.0872 -20.4980 -20.4980 -20.4353 -20.4353 -18.8074 -18.8074 -14.1067 -14.1067 -7.5636 -7.5636 -7.1103 -7.1103 -5.2067 -5.2067 -4.7145 -4.7145 -4.6356 -4.6356 -4.3972 -4.3972 -4.2370 -4.2370 -4.1552 -4.1552 -2.6043 -2.6043 -2.4573 -2.4573 -2.3172 -2.3172 -2.0839 -2.0839 -2.0625 -2.0625 -1.8304 -1.8304 -1.7395 -1.7395 -1.7317 -1.7317 -1.6577 -1.6577 -1.6315 -1.6315 -1.3897 -1.3897 -1.1749 -1.1749 -1.0304 -1.0304 -0.9781 -0.9781 0.0665 0.0665 0.1366 0.1366 2.9548 2.9548 3.1296 3.1296 5.5919 5.5919 6.8146 6.8146 8.8542 8.8542 9.0779 9.0779 k = 0.2931-0.4296-0.0000 ( 6968 PWs) bands (ev): -22.1554 -22.1554 -21.2209 -21.2209 -21.1858 -21.1858 -21.0873 -21.0873 -20.4990 -20.4990 -20.4350 -20.4350 -18.8073 -18.8073 -14.1061 -14.1061 -7.5708 -7.5708 -7.1084 -7.1084 -5.2017 -5.2017 -4.7040 -4.7040 -4.6303 -4.6303 -4.4013 -4.4013 -4.2376 -4.2376 -4.1680 -4.1680 -2.6061 -2.6061 -2.4555 -2.4555 -2.3217 -2.3217 -2.0830 -2.0830 -2.0565 -2.0565 -1.8381 -1.8381 -1.7409 -1.7409 -1.7292 -1.7292 -1.6572 -1.6572 -1.6214 -1.6214 -1.3887 -1.3887 -1.1772 -1.1772 -1.0291 -1.0291 -0.9805 -0.9805 0.0576 0.0576 0.1322 0.1322 2.9659 2.9659 3.1340 3.1340 5.6049 5.6049 6.8047 6.8047 8.8440 8.8440 9.0550 9.0550 k = 0.2826-0.4143-0.0000 ( 6970 PWs) bands (ev): -22.1562 -22.1562 -21.2200 -21.2200 -21.1850 -21.1850 -21.0874 -21.0874 -20.4999 -20.4999 -20.4347 -20.4347 -18.8073 -18.8073 -14.1055 -14.1055 -7.5780 -7.5780 -7.1064 -7.1064 -5.1967 -5.1967 -4.6942 -4.6942 -4.6254 -4.6254 -4.4056 -4.4056 -4.2385 -4.2385 -4.1790 -4.1790 -2.6085 -2.6085 -2.4545 -2.4545 -2.3282 -2.3282 -2.0813 -2.0813 -2.0504 -2.0504 -1.8443 -1.8443 -1.7425 -1.7425 -1.7260 -1.7260 -1.6567 -1.6567 -1.6112 -1.6112 -1.3874 -1.3874 -1.1795 -1.1795 -1.0282 -1.0282 -0.9831 -0.9831 0.0493 0.0493 0.1282 0.1282 2.9778 2.9778 3.1385 3.1385 5.6157 5.6157 6.7952 6.7952 8.8328 8.8328 9.0351 9.0351 k = 0.2721-0.3989-0.0000 ( 6968 PWs) bands (ev): -22.1571 -22.1571 -21.2191 -21.2191 -21.1842 -21.1842 -21.0875 -21.0875 -20.5009 -20.5009 -20.4344 -20.4344 -18.8073 -18.8073 -14.1049 -14.1049 -7.5853 -7.5853 -7.1043 -7.1043 -5.1916 -5.1916 -4.6853 -4.6853 -4.6209 -4.6209 -4.4099 -4.4099 -4.2398 -4.2398 -4.1879 -4.1879 -2.6116 -2.6116 -2.4544 -2.4544 -2.3365 -2.3365 -2.0789 -2.0789 -2.0444 -2.0444 -1.8488 -1.8488 -1.7436 -1.7436 -1.7227 -1.7227 -1.6560 -1.6560 -1.6012 -1.6012 -1.3860 -1.3860 -1.1818 -1.1818 -1.0277 -1.0277 -0.9861 -0.9861 0.0419 0.0419 0.1245 0.1245 2.9906 2.9906 3.1429 3.1429 5.6239 5.6239 6.7863 6.7863 8.8207 8.8207 9.0185 9.0185 k = 0.2617-0.3836-0.0000 ( 6960 PWs) bands (ev): -22.1581 -22.1581 -21.2181 -21.2181 -21.1833 -21.1833 -21.0875 -21.0875 -20.5018 -20.5018 -20.4341 -20.4341 -18.8074 -18.8074 -14.1043 -14.1043 -7.5927 -7.5927 -7.1022 -7.1022 -5.1865 -5.1865 -4.6777 -4.6777 -4.6167 -4.6167 -4.4140 -4.4140 -4.2416 -4.2416 -4.1943 -4.1943 -2.6153 -2.6153 -2.4553 -2.4553 -2.3464 -2.3464 -2.0761 -2.0761 -2.0384 -2.0384 -1.8515 -1.8515 -1.7440 -1.7440 -1.7195 -1.7195 -1.6549 -1.6549 -1.5912 -1.5912 -1.3844 -1.3844 -1.1840 -1.1840 -1.0278 -1.0278 -0.9893 -0.9893 0.0356 0.0356 0.1210 0.1210 3.0041 3.0041 3.1472 3.1472 5.6293 5.6293 6.7781 6.7781 8.8077 8.8077 9.0052 9.0052 k = 0.2512-0.3683-0.0000 ( 6964 PWs) bands (ev): -22.1590 -22.1590 -21.2172 -21.2172 -21.1824 -21.1824 -21.0876 -21.0876 -20.5027 -20.5027 -20.4338 -20.4338 -18.8074 -18.8074 -14.1037 -14.1037 -7.6000 -7.6000 -7.1001 -7.1001 -5.1815 -5.1815 -4.6717 -4.6717 -4.6129 -4.6129 -4.4177 -4.4177 -4.2439 -4.2439 -4.1981 -4.1981 -2.6196 -2.6196 -2.4573 -2.4573 -2.3577 -2.3577 -2.0733 -2.0733 -2.0326 -2.0326 -1.8523 -1.8523 -1.7438 -1.7438 -1.7165 -1.7165 -1.6534 -1.6534 -1.5815 -1.5815 -1.3827 -1.3827 -1.1862 -1.1862 -1.0284 -1.0284 -0.9927 -0.9927 0.0304 0.0304 0.1177 0.1177 3.0184 3.0184 3.1515 3.1515 5.6315 5.6315 6.7709 6.7709 8.7938 8.7938 8.9954 8.9954 k = 0.2407-0.3529-0.0000 ( 6962 PWs) bands (ev): -22.1600 -22.1600 -21.2162 -21.2162 -21.1815 -21.1815 -21.0877 -21.0877 -20.5036 -20.5036 -20.4335 -20.4335 -18.8074 -18.8074 -14.1031 -14.1031 -7.6074 -7.6074 -7.0979 -7.0979 -5.1764 -5.1764 -4.6677 -4.6677 -4.6095 -4.6095 -4.4208 -4.4208 -4.2464 -4.2464 -4.1996 -4.1996 -2.6245 -2.6245 -2.4604 -2.4604 -2.3701 -2.3701 -2.0706 -2.0706 -2.0268 -2.0268 -1.8511 -1.8511 -1.7428 -1.7428 -1.7139 -1.7139 -1.6512 -1.6512 -1.5719 -1.5719 -1.3808 -1.3808 -1.1883 -1.1883 -1.0295 -1.0295 -0.9965 -0.9965 0.0264 0.0264 0.1144 0.1144 3.0334 3.0334 3.1558 3.1558 5.6306 5.6306 6.7647 6.7647 8.7792 8.7792 8.9890 8.9890 k = 0.2303-0.3376-0.0000 ( 6966 PWs) bands (ev): -22.1610 -22.1610 -21.2153 -21.2153 -21.1806 -21.1806 -21.0878 -21.0878 -20.5045 -20.5045 -20.4332 -20.4332 -18.8075 -18.8075 -14.1024 -14.1024 -7.6146 -7.6146 -7.0957 -7.0957 -5.1715 -5.1715 -4.6658 -4.6658 -4.6065 -4.6065 -4.4229 -4.4229 -4.2487 -4.2487 -4.1992 -4.1992 -2.6298 -2.6298 -2.4647 -2.4647 -2.3834 -2.3834 -2.0682 -2.0682 -2.0212 -2.0212 -1.8480 -1.8480 -1.7412 -1.7412 -1.7118 -1.7118 -1.6483 -1.6483 -1.5625 -1.5625 -1.3788 -1.3788 -1.1904 -1.1904 -1.0311 -1.0311 -1.0004 -1.0004 0.0237 0.0237 0.1114 0.1114 3.0490 3.0490 3.1600 3.1600 5.6262 5.6262 6.7599 6.7599 8.7638 8.7638 8.9862 8.9862 k = 0.2198-0.3222-0.0000 ( 6964 PWs) bands (ev): -22.1621 -22.1621 -21.2143 -21.2143 -21.1796 -21.1796 -21.0878 -21.0878 -20.5053 -20.5053 -20.4330 -20.4330 -18.8075 -18.8075 -14.1018 -14.1018 -7.6218 -7.6218 -7.0934 -7.0934 -5.1665 -5.1665 -4.6661 -4.6661 -4.6041 -4.6041 -4.4240 -4.4240 -4.2504 -4.2504 -4.1972 -4.1972 -2.6356 -2.6356 -2.4701 -2.4701 -2.3975 -2.3975 -2.0663 -2.0663 -2.0157 -2.0157 -1.8432 -1.8432 -1.7388 -1.7388 -1.7103 -1.7103 -1.6444 -1.6444 -1.5534 -1.5534 -1.3768 -1.3768 -1.1924 -1.1924 -1.0332 -1.0332 -1.0046 -1.0046 0.0221 0.0221 0.1084 0.1084 3.0652 3.0652 3.1642 3.1642 5.6185 5.6185 6.7563 6.7563 8.7479 8.7479 8.9868 8.9868 k = 0.2093-0.3069-0.0000 ( 6962 PWs) bands (ev): -22.1631 -22.1631 -21.2134 -21.2134 -21.1786 -21.1786 -21.0879 -21.0879 -20.5061 -20.5061 -20.4328 -20.4328 -18.8076 -18.8076 -14.1012 -14.1012 -7.6289 -7.6289 -7.0912 -7.0912 -5.1617 -5.1617 -4.6686 -4.6686 -4.6021 -4.6021 -4.4240 -4.4240 -4.2513 -4.2513 -4.1938 -4.1938 -2.6418 -2.6418 -2.4765 -2.4765 -2.4122 -2.4122 -2.0651 -2.0651 -2.0102 -2.0102 -1.8369 -1.8369 -1.7357 -1.7357 -1.7093 -1.7093 -1.6397 -1.6397 -1.5445 -1.5445 -1.3746 -1.3746 -1.1944 -1.1944 -1.0357 -1.0357 -1.0090 -1.0090 0.0218 0.0218 0.1057 0.1057 3.0819 3.0819 3.1684 3.1684 5.6075 5.6075 6.7540 6.7540 8.7315 8.7315 8.9908 8.9908 k = 0.1989-0.2915-0.0000 ( 6970 PWs) bands (ev): -22.1642 -22.1642 -21.2125 -21.2125 -21.1776 -21.1776 -21.0879 -21.0879 -20.5069 -20.5069 -20.4325 -20.4325 -18.8077 -18.8077 -14.1006 -14.1006 -7.6358 -7.6358 -7.0890 -7.0890 -5.1570 -5.1570 -4.6731 -4.6731 -4.6007 -4.6007 -4.4231 -4.4231 -4.2515 -4.2515 -4.1894 -4.1894 -2.6482 -2.6482 -2.4838 -2.4838 -2.4272 -2.4272 -2.0644 -2.0644 -2.0047 -2.0047 -1.8294 -1.8294 -1.7320 -1.7320 -1.7088 -1.7088 -1.6340 -1.6340 -1.5358 -1.5358 -1.3725 -1.3725 -1.1963 -1.1963 -1.0387 -1.0387 -1.0136 -1.0136 0.0225 0.0225 0.1031 0.1031 3.0987 3.0987 3.1728 3.1728 5.5934 5.5934 6.7530 6.7530 8.7147 8.7147 8.9981 8.9981 k = 0.1884-0.2762-0.0000 ( 6966 PWs) bands (ev): -22.1652 -22.1652 -21.2116 -21.2116 -21.1767 -21.1767 -21.0880 -21.0880 -20.5077 -20.5077 -20.4324 -20.4324 -18.8078 -18.8078 -14.1000 -14.1000 -7.6425 -7.6425 -7.0867 -7.0867 -5.1523 -5.1523 -4.6793 -4.6793 -4.5997 -4.5997 -4.4213 -4.4213 -4.2509 -4.2509 -4.1838 -4.1838 -2.6549 -2.6549 -2.4919 -2.4919 -2.4425 -2.4425 -2.0645 -2.0645 -1.9993 -1.9993 -1.8208 -1.8208 -1.7277 -1.7277 -1.7087 -1.7087 -1.6276 -1.6276 -1.5274 -1.5274 -1.3703 -1.3703 -1.1981 -1.1981 -1.0419 -1.0419 -1.0183 -1.0183 0.0241 0.0241 0.1007 0.1007 3.1154 3.1154 3.1777 3.1777 5.5763 5.5763 6.7532 6.7532 8.6976 8.6976 9.0086 9.0086 k = 0.1779-0.2609-0.0000 ( 6958 PWs) bands (ev): -22.1663 -22.1663 -21.2107 -21.2107 -21.1757 -21.1757 -21.0880 -21.0880 -20.5084 -20.5084 -20.4322 -20.4322 -18.8079 -18.8079 -14.0994 -14.0994 -7.6491 -7.6491 -7.0845 -7.0845 -5.1478 -5.1478 -4.6869 -4.6869 -4.5993 -4.5993 -4.4189 -4.4189 -4.2497 -4.2497 -4.1773 -4.1773 -2.6618 -2.6618 -2.5007 -2.5007 -2.4577 -2.4577 -2.0653 -2.0653 -1.9940 -1.9940 -1.8114 -1.8114 -1.7231 -1.7231 -1.7085 -1.7085 -1.6206 -1.6206 -1.5193 -1.5193 -1.3682 -1.3682 -1.2000 -1.2000 -1.0455 -1.0455 -1.0230 -1.0230 0.0264 0.0264 0.0987 0.0987 3.1313 3.1313 3.1836 3.1836 5.5567 5.5567 6.7546 6.7546 8.6804 8.6804 9.0221 9.0221 k = 0.1675-0.2455-0.0000 ( 6958 PWs) bands (ev): -22.1673 -22.1673 -21.2099 -21.2099 -21.1747 -21.1747 -21.0880 -21.0880 -20.5090 -20.5090 -20.4320 -20.4320 -18.8080 -18.8080 -14.0988 -14.0988 -7.6554 -7.6554 -7.0824 -7.0824 -5.1435 -5.1435 -4.6956 -4.6956 -4.5993 -4.5993 -4.4161 -4.4161 -4.2480 -4.2480 -4.1698 -4.1698 -2.6688 -2.6688 -2.5102 -2.5102 -2.4728 -2.4728 -2.0667 -2.0667 -1.9887 -1.9887 -1.8016 -1.8016 -1.7189 -1.7189 -1.7078 -1.7078 -1.6131 -1.6131 -1.5114 -1.5114 -1.3660 -1.3660 -1.2018 -1.2018 -1.0494 -1.0494 -1.0278 -1.0278 0.0294 0.0294 0.0971 0.0971 3.1455 3.1455 3.1913 3.1913 5.5348 5.5348 6.7568 6.7568 8.6632 8.6632 9.0384 9.0384 k = 0.1570-0.2302-0.0000 ( 6956 PWs) bands (ev): -22.1683 -22.1683 -21.2090 -21.2090 -21.1737 -21.1737 -21.0880 -21.0880 -20.5096 -20.5096 -20.4319 -20.4319 -18.8081 -18.8081 -14.0982 -14.0982 -7.6614 -7.6614 -7.0803 -7.0803 -5.1393 -5.1393 -4.7050 -4.7050 -4.5996 -4.5996 -4.4130 -4.4130 -4.2460 -4.2460 -4.1615 -4.1615 -2.6758 -2.6758 -2.5201 -2.5201 -2.4875 -2.4875 -2.0688 -2.0688 -1.9835 -1.9835 -1.7916 -1.7916 -1.7164 -1.7164 -1.7050 -1.7050 -1.6052 -1.6052 -1.5037 -1.5037 -1.3640 -1.3640 -1.2037 -1.2037 -1.0536 -1.0536 -1.0324 -1.0324 0.0326 0.0326 0.0960 0.0960 3.1568 3.1568 3.2019 3.2019 5.5111 5.5111 6.7599 6.7599 8.6461 8.6461 9.0573 9.0573 k = 0.1465-0.2148-0.0000 ( 6958 PWs) bands (ev): -22.1693 -22.1693 -21.2083 -21.2083 -21.1728 -21.1728 -21.0881 -21.0881 -20.5102 -20.5102 -20.4318 -20.4318 -18.8082 -18.8082 -14.0977 -14.0977 -7.6672 -7.6672 -7.0783 -7.0783 -5.1354 -5.1354 -4.7148 -4.7148 -4.6003 -4.6003 -4.4099 -4.4099 -4.2439 -4.2439 -4.1525 -4.1525 -2.6828 -2.6828 -2.5305 -2.5305 -2.5016 -2.5016 -2.0714 -2.0714 -1.9785 -1.9785 -1.7816 -1.7816 -1.7158 -1.7158 -1.6999 -1.6999 -1.5971 -1.5971 -1.4963 -1.4963 -1.3620 -1.3620 -1.2055 -1.2055 -1.0580 -1.0580 -1.0369 -1.0369 0.0359 0.0359 0.0955 0.0955 3.1649 3.1649 3.2155 3.2155 5.4860 5.4860 6.7635 6.7635 8.6292 8.6292 9.0784 9.0784 k = 0.1361-0.1995-0.0000 ( 6964 PWs) bands (ev): -22.1702 -22.1702 -21.2075 -21.2075 -21.1719 -21.1719 -21.0881 -21.0881 -20.5108 -20.5108 -20.4316 -20.4316 -18.8084 -18.8084 -14.0972 -14.0972 -7.6727 -7.6727 -7.0763 -7.0763 -5.1316 -5.1316 -4.7247 -4.7247 -4.6012 -4.6012 -4.4068 -4.4068 -4.2417 -4.2417 -4.1430 -4.1430 -2.6896 -2.6896 -2.5413 -2.5413 -2.5148 -2.5148 -2.0744 -2.0744 -1.9736 -1.9736 -1.7720 -1.7720 -1.7161 -1.7161 -1.6934 -1.6934 -1.5890 -1.5890 -1.4892 -1.4892 -1.3600 -1.3600 -1.2074 -1.2074 -1.0627 -1.0627 -1.0411 -1.0411 0.0390 0.0390 0.0958 0.0958 3.1704 3.1704 3.2315 3.2315 5.4599 5.4599 6.7676 6.7676 8.6128 8.6128 9.1014 9.1014 k = 0.1256-0.1841-0.0000 ( 6956 PWs) bands (ev): -22.1711 -22.1711 -21.2068 -21.2068 -21.1710 -21.1710 -21.0881 -21.0881 -20.5113 -20.5113 -20.4315 -20.4315 -18.8085 -18.8085 -14.0967 -14.0967 -7.6778 -7.6778 -7.0745 -7.0745 -5.1280 -5.1280 -4.7346 -4.7346 -4.6024 -4.6024 -4.4038 -4.4038 -4.2395 -4.2395 -4.1331 -4.1331 -2.6962 -2.6962 -2.5524 -2.5524 -2.5269 -2.5269 -2.0778 -2.0778 -1.9689 -1.9689 -1.7628 -1.7628 -1.7166 -1.7166 -1.6865 -1.6865 -1.5809 -1.5809 -1.4822 -1.4822 -1.3582 -1.3582 -1.2092 -1.2092 -1.0675 -1.0675 -1.0450 -1.0450 0.0417 0.0417 0.0969 0.0969 3.1743 3.1743 3.2486 3.2486 5.4333 5.4333 6.7720 6.7720 8.5969 8.5969 9.1260 9.1260 k = 0.1151-0.1688-0.0000 ( 6952 PWs) bands (ev): -22.1720 -22.1720 -21.2062 -21.2062 -21.1702 -21.1702 -21.0881 -21.0881 -20.5117 -20.5117 -20.4315 -20.4315 -18.8086 -18.8086 -14.0962 -14.0962 -7.6827 -7.6827 -7.0727 -7.0727 -5.1247 -5.1247 -4.7442 -4.7442 -4.6036 -4.6036 -4.4009 -4.4009 -4.2374 -4.2374 -4.1230 -4.1230 -2.7026 -2.7026 -2.5637 -2.5637 -2.5379 -2.5379 -2.0814 -2.0814 -1.9645 -1.9645 -1.7546 -1.7546 -1.7168 -1.7168 -1.6792 -1.6792 -1.5730 -1.5730 -1.4756 -1.4756 -1.3565 -1.3565 -1.2111 -1.2111 -1.0725 -1.0725 -1.0486 -1.0486 0.0437 0.0437 0.0989 0.0989 3.1772 3.1772 3.2660 3.2660 5.4067 5.4067 6.7765 6.7765 8.5817 8.5817 9.1518 9.1518 k = 0.1047-0.1534-0.0000 ( 6950 PWs) bands (ev): -22.1728 -22.1728 -21.2056 -21.2056 -21.1694 -21.1694 -21.0881 -21.0881 -20.5121 -20.5121 -20.4314 -20.4314 -18.8087 -18.8087 -14.0958 -14.0958 -7.6871 -7.6871 -7.0711 -7.0711 -5.1217 -5.1217 -4.7533 -4.7533 -4.6050 -4.6050 -4.3982 -4.3982 -4.2354 -4.2354 -4.1130 -4.1130 -2.7087 -2.7087 -2.5750 -2.5750 -2.5478 -2.5478 -2.0852 -2.0852 -1.9604 -1.9604 -1.7476 -1.7476 -1.7163 -1.7163 -1.6720 -1.6720 -1.5653 -1.5653 -1.4692 -1.4692 -1.3548 -1.3548 -1.2129 -1.2129 -1.0776 -1.0776 -1.0517 -1.0517 0.0452 0.0452 0.1017 0.1017 3.1795 3.1795 3.2833 3.2833 5.3805 5.3805 6.7810 6.7810 8.5673 8.5673 9.1784 9.1784 k = 0.0942-0.1381-0.0000 ( 6954 PWs) bands (ev): -22.1736 -22.1736 -21.2051 -21.2051 -21.1686 -21.1686 -21.0881 -21.0881 -20.5125 -20.5125 -20.4313 -20.4313 -18.8088 -18.8088 -14.0954 -14.0954 -7.6912 -7.6912 -7.0696 -7.0696 -5.1189 -5.1189 -4.7619 -4.7619 -4.6064 -4.6064 -4.3958 -4.3958 -4.2335 -4.2335 -4.1032 -4.1032 -2.7143 -2.7143 -2.5859 -2.5859 -2.5566 -2.5566 -2.0890 -2.0890 -1.9566 -1.9566 -1.7422 -1.7422 -1.7148 -1.7148 -1.6649 -1.6649 -1.5580 -1.5580 -1.4632 -1.4632 -1.3533 -1.3533 -1.2148 -1.2148 -1.0827 -1.0827 -1.0545 -1.0545 0.0460 0.0460 0.1051 0.1051 3.1813 3.1813 3.3001 3.3001 5.3551 5.3551 6.7853 6.7853 8.5539 8.5539 9.2052 9.2052 k = 0.0837-0.1228-0.0000 ( 6950 PWs) bands (ev): -22.1742 -22.1742 -21.2046 -21.2046 -21.1679 -21.1679 -21.0881 -21.0881 -20.5128 -20.5128 -20.4313 -20.4313 -18.8089 -18.8089 -14.0950 -14.0950 -7.6949 -7.6949 -7.0682 -7.0682 -5.1163 -5.1163 -4.7698 -4.7698 -4.6078 -4.6078 -4.3936 -4.3936 -4.2318 -4.2318 -4.0939 -4.0939 -2.7196 -2.7196 -2.5962 -2.5962 -2.5645 -2.5645 -2.0928 -2.0928 -1.9532 -1.9532 -1.7388 -1.7388 -1.7120 -1.7120 -1.6581 -1.6581 -1.5512 -1.5512 -1.4574 -1.4574 -1.3519 -1.3519 -1.2166 -1.2166 -1.0876 -1.0876 -1.0568 -1.0568 0.0463 0.0463 0.1089 0.1089 3.1827 3.1827 3.3160 3.3160 5.3311 5.3311 6.7895 6.7895 8.5415 8.5415 9.2317 9.2317 k = 0.0733-0.1074-0.0000 ( 6938 PWs) bands (ev): -22.1749 -22.1749 -21.2041 -21.2041 -21.1673 -21.1673 -21.0881 -21.0881 -20.5131 -20.5131 -20.4312 -20.4312 -18.8090 -18.8090 -14.0947 -14.0947 -7.6982 -7.6982 -7.0669 -7.0669 -5.1141 -5.1141 -4.7769 -4.7769 -4.6092 -4.6092 -4.3916 -4.3916 -4.2303 -4.2303 -4.0852 -4.0852 -2.7243 -2.7243 -2.6057 -2.6057 -2.5714 -2.5714 -2.0964 -2.0964 -1.9501 -1.9501 -1.7369 -1.7369 -1.7083 -1.7083 -1.6517 -1.6517 -1.5450 -1.5450 -1.4521 -1.4521 -1.3507 -1.3507 -1.2183 -1.2183 -1.0923 -1.0923 -1.0588 -1.0588 0.0463 0.0463 0.1128 0.1128 3.1839 3.1839 3.3308 3.3308 5.3087 5.3087 6.7933 6.7933 8.5304 8.5304 9.2574 9.2574 k = 0.0628-0.0921-0.0000 ( 6945 PWs) bands (ev): -22.1754 -22.1754 -21.2038 -21.2038 -21.1668 -21.1668 -21.0881 -21.0881 -20.5134 -20.5134 -20.4312 -20.4312 -18.8091 -18.8091 -14.0944 -14.0944 -7.7011 -7.7011 -7.0658 -7.0658 -5.1122 -5.1122 -4.7833 -4.7833 -4.6104 -4.6104 -4.3899 -4.3899 -4.2290 -4.2290 -4.0774 -4.0774 -2.7285 -2.7285 -2.6143 -2.6143 -2.5775 -2.5775 -2.0997 -2.0997 -1.9474 -1.9474 -1.7362 -1.7362 -1.7043 -1.7043 -1.6460 -1.6460 -1.5394 -1.5394 -1.4473 -1.4473 -1.3496 -1.3496 -1.2198 -1.2198 -1.0967 -1.0967 -1.0605 -1.0605 0.0461 0.0461 0.1166 0.1166 3.1849 3.1849 3.3442 3.3442 5.2885 5.2885 6.7968 6.7968 8.5205 8.5205 9.2816 9.2816 k = 0.0523-0.0767-0.0000 ( 6949 PWs) bands (ev): -22.1759 -22.1759 -21.2035 -21.2035 -21.1663 -21.1663 -21.0880 -21.0880 -20.5136 -20.5136 -20.4312 -20.4312 -18.8092 -18.8092 -14.0941 -14.0941 -7.7035 -7.7035 -7.0649 -7.0649 -5.1105 -5.1105 -4.7887 -4.7887 -4.6116 -4.6116 -4.3884 -4.3884 -4.2278 -4.2278 -4.0704 -4.0704 -2.7321 -2.7321 -2.6217 -2.6217 -2.5826 -2.5826 -2.1027 -2.1027 -1.9451 -1.9451 -1.7360 -1.7360 -1.7004 -1.7004 -1.6409 -1.6409 -1.5346 -1.5346 -1.4431 -1.4431 -1.3486 -1.3486 -1.2213 -1.2213 -1.1007 -1.1007 -1.0619 -1.0619 0.0458 0.0458 0.1201 0.1201 3.1856 3.1856 3.3560 3.3560 5.2707 5.2707 6.7998 6.7998 8.5119 8.5119 9.3037 9.3037 k = 0.0419-0.0614-0.0000 ( 6947 PWs) bands (ev): -22.1763 -22.1763 -21.2032 -21.2032 -21.1659 -21.1659 -21.0880 -21.0880 -20.5137 -20.5137 -20.4312 -20.4312 -18.8092 -18.8092 -14.0939 -14.0939 -7.7056 -7.7056 -7.0641 -7.0641 -5.1092 -5.1092 -4.7932 -4.7932 -4.6125 -4.6125 -4.3872 -4.3872 -4.2269 -4.2269 -4.0646 -4.0646 -2.7351 -2.7351 -2.6279 -2.6279 -2.5868 -2.5868 -2.1053 -2.1053 -1.9432 -1.9432 -1.7360 -1.7360 -1.6969 -1.6969 -1.6366 -1.6366 -1.5305 -1.5305 -1.4394 -1.4394 -1.3479 -1.3479 -1.2225 -1.2225 -1.1041 -1.1041 -1.0630 -1.0630 0.0454 0.0454 0.1232 0.1232 3.1862 3.1862 3.3660 3.3660 5.2556 5.2556 6.8023 6.8023 8.5049 8.5049 9.3229 9.3229 k = 0.0314-0.0460-0.0000 ( 6953 PWs) bands (ev): -22.1766 -22.1766 -21.2030 -21.2030 -21.1656 -21.1656 -21.0880 -21.0880 -20.5139 -20.5139 -20.4311 -20.4311 -18.8093 -18.8093 -14.0938 -14.0938 -7.7071 -7.7071 -7.0635 -7.0635 -5.1081 -5.1081 -4.7967 -4.7967 -4.6133 -4.6133 -4.3862 -4.3862 -4.2262 -4.2262 -4.0600 -4.0600 -2.7375 -2.7375 -2.6328 -2.6328 -2.5901 -2.5901 -2.1074 -2.1074 -1.9417 -1.9417 -1.7362 -1.7362 -1.6941 -1.6941 -1.6333 -1.6333 -1.5273 -1.5273 -1.4365 -1.4365 -1.3472 -1.3472 -1.2235 -1.2235 -1.1068 -1.1068 -1.0638 -1.0638 0.0451 0.0451 0.1257 0.1257 3.1867 3.1867 3.3739 3.3739 5.2436 5.2436 6.8043 6.8043 8.4993 8.4993 9.3387 9.3387 k = 0.0209-0.0307-0.0000 ( 6949 PWs) bands (ev): -22.1768 -22.1768 -21.2028 -21.2028 -21.1654 -21.1654 -21.0880 -21.0880 -20.5140 -20.5140 -20.4311 -20.4311 -18.8093 -18.8093 -14.0937 -14.0937 -7.7083 -7.7083 -7.0631 -7.0631 -5.1074 -5.1074 -4.7992 -4.7992 -4.6139 -4.6139 -4.3855 -4.3855 -4.2256 -4.2256 -4.0566 -4.0566 -2.7392 -2.7392 -2.6363 -2.6363 -2.5924 -2.5924 -2.1089 -2.1089 -1.9407 -1.9407 -1.7364 -1.7364 -1.6920 -1.6920 -1.6308 -1.6308 -1.5250 -1.5250 -1.4343 -1.4343 -1.3468 -1.3468 -1.2243 -1.2243 -1.1088 -1.1088 -1.0644 -1.0644 0.0448 0.0448 0.1276 0.1276 3.1870 3.1870 3.3798 3.3798 5.2349 5.2349 6.8057 6.8057 8.4953 8.4953 9.3505 9.3505 k = 0.0105-0.0153-0.0000 ( 6955 PWs) bands (ev): -22.1769 -22.1769 -21.2028 -21.2028 -21.1653 -21.1653 -21.0880 -21.0880 -20.5140 -20.5140 -20.4311 -20.4311 -18.8094 -18.8094 -14.0936 -14.0936 -7.7090 -7.7090 -7.0628 -7.0628 -5.1069 -5.1069 -4.8008 -4.8008 -4.6142 -4.6142 -4.3851 -4.3851 -4.2253 -4.2253 -4.0546 -4.0546 -2.7403 -2.7403 -2.6385 -2.6385 -2.5939 -2.5939 -2.1098 -2.1098 -1.9400 -1.9400 -1.7365 -1.7365 -1.6908 -1.6908 -1.6293 -1.6293 -1.5235 -1.5235 -1.4330 -1.4330 -1.3465 -1.3465 -1.2247 -1.2247 -1.1101 -1.1101 -1.0647 -1.0647 0.0447 0.0447 0.1288 0.1288 3.1871 3.1871 3.3833 3.3833 5.2295 5.2295 6.8066 6.8066 8.4928 8.4928 9.3578 9.3578 k = 0.0000 0.0000 0.0000 ( 6959 PWs) bands (ev): -22.1770 -22.1770 -21.2027 -21.2027 -21.1652 -21.1652 -21.0880 -21.0880 -20.5141 -20.5141 -20.4311 -20.4311 -18.8094 -18.8094 -14.0936 -14.0936 -7.7092 -7.7092 -7.0627 -7.0627 -5.1068 -5.1068 -4.8013 -4.8013 -4.6143 -4.6143 -4.3850 -4.3850 -4.2252 -4.2252 -4.0539 -4.0539 -2.7406 -2.7406 -2.6392 -2.6392 -2.5943 -2.5943 -2.1101 -2.1101 -1.9398 -1.9398 -1.7366 -1.7366 -1.6904 -1.6904 -1.6288 -1.6288 -1.5231 -1.5231 -1.4325 -1.4325 -1.3464 -1.3464 -1.2249 -1.2249 -1.1105 -1.1105 -1.0649 -1.0649 0.0446 0.0446 0.1291 0.1291 3.1872 3.1872 3.3845 3.3845 5.2278 5.2278 6.8069 6.8069 8.4920 8.4920 9.3602 9.3602 k = 0.0000 0.0000 0.0000 ( 6959 PWs) bands (ev): -22.1770 -22.1770 -21.2027 -21.2027 -21.1652 -21.1652 -21.0880 -21.0880 -20.5141 -20.5141 -20.4311 -20.4311 -18.8094 -18.8094 -14.0936 -14.0936 -7.7092 -7.7092 -7.0627 -7.0627 -5.1068 -5.1068 -4.8013 -4.8013 -4.6143 -4.6143 -4.3850 -4.3850 -4.2252 -4.2252 -4.0539 -4.0539 -2.7406 -2.7406 -2.6392 -2.6392 -2.5943 -2.5943 -2.1101 -2.1101 -1.9398 -1.9398 -1.7366 -1.7366 -1.6904 -1.6904 -1.6288 -1.6288 -1.5231 -1.5231 -1.4325 -1.4325 -1.3464 -1.3464 -1.2249 -1.2249 -1.1105 -1.1105 -1.0649 -1.0649 0.0446 0.0446 0.1291 0.1291 3.1872 3.1872 3.3845 3.3845 5.2278 5.2278 6.8069 6.8069 8.4920 8.4920 9.3602 9.3602 k = 0.0172-0.0068-0.0001 ( 6954 PWs) bands (ev): -22.1769 -22.1769 -21.2028 -21.2028 -21.1653 -21.1653 -21.0880 -21.0880 -20.5140 -20.5140 -20.4311 -20.4311 -18.8094 -18.8094 -14.0936 -14.0936 -7.7087 -7.7087 -7.0631 -7.0631 -5.1068 -5.1068 -4.8009 -4.8009 -4.6143 -4.6143 -4.3852 -4.3852 -4.2254 -4.2254 -4.0543 -4.0543 -2.7402 -2.7402 -2.6385 -2.6385 -2.5938 -2.5938 -2.1099 -2.1099 -1.9400 -1.9400 -1.7366 -1.7366 -1.6907 -1.6907 -1.6292 -1.6292 -1.5236 -1.5236 -1.4330 -1.4330 -1.3466 -1.3466 -1.2246 -1.2246 -1.1101 -1.1101 -1.0648 -1.0648 0.0446 0.0446 0.1289 0.1289 3.1871 3.1871 3.3834 3.3834 5.2295 5.2295 6.8062 6.8062 8.4931 8.4931 9.3585 9.3585 k = 0.0345-0.0135-0.0002 ( 6950 PWs) bands (ev): -22.1768 -22.1768 -21.2029 -21.2029 -21.1654 -21.1654 -21.0880 -21.0880 -20.5139 -20.5139 -20.4312 -20.4312 -18.8093 -18.8093 -14.0937 -14.0937 -7.7073 -7.7073 -7.0642 -7.0642 -5.1067 -5.1067 -4.7999 -4.7999 -4.6142 -4.6142 -4.3856 -4.3856 -4.2260 -4.2260 -4.0558 -4.0558 -2.7390 -2.7390 -2.6363 -2.6363 -2.5922 -2.5922 -2.1094 -2.1094 -1.9407 -1.9407 -1.7368 -1.7368 -1.6916 -1.6916 -1.6303 -1.6303 -1.5252 -1.5252 -1.4345 -1.4345 -1.3470 -1.3470 -1.2239 -1.2239 -1.1088 -1.1088 -1.0645 -1.0645 0.0447 0.0447 0.1282 0.1282 3.1866 3.1866 3.3800 3.3800 5.2345 5.2345 6.8042 6.8042 8.4964 8.4964 9.3533 9.3533 k = 0.0517-0.0203-0.0003 ( 6951 PWs) bands (ev): -22.1765 -22.1765 -21.2031 -21.2031 -21.1657 -21.1657 -21.0880 -21.0880 -20.5138 -20.5138 -20.4312 -20.4312 -18.8093 -18.8093 -14.0938 -14.0938 -7.7049 -7.7049 -7.0661 -7.0661 -5.1066 -5.1066 -4.7981 -4.7981 -4.6140 -4.6140 -4.3864 -4.3864 -4.2270 -4.2270 -4.0581 -4.0581 -2.7372 -2.7372 -2.6327 -2.6327 -2.5895 -2.5895 -2.1086 -2.1086 -1.9418 -1.9418 -1.7372 -1.7372 -1.6931 -1.6931 -1.6321 -1.6321 -1.5279 -1.5279 -1.4368 -1.4368 -1.3476 -1.3476 -1.2226 -1.2226 -1.1067 -1.1067 -1.0640 -1.0640 0.0448 0.0448 0.1270 0.1270 3.1858 3.1858 3.3747 3.3747 5.2429 5.2429 6.8008 6.8008 8.5018 8.5018 9.3447 9.3447 k = 0.0690-0.0270-0.0004 ( 6950 PWs) bands (ev): -22.1762 -22.1762 -21.2034 -21.2034 -21.1660 -21.1660 -21.0880 -21.0880 -20.5135 -20.5135 -20.4312 -20.4312 -18.8093 -18.8093 -14.0941 -14.0941 -7.7017 -7.7017 -7.0687 -7.0687 -5.1065 -5.1065 -4.7957 -4.7957 -4.6138 -4.6138 -4.3875 -4.3875 -4.2284 -4.2284 -4.0613 -4.0613 -2.7347 -2.7347 -2.6276 -2.6276 -2.5858 -2.5858 -2.1074 -2.1074 -1.9432 -1.9432 -1.7377 -1.7377 -1.6952 -1.6952 -1.6347 -1.6347 -1.5317 -1.5317 -1.4398 -1.4398 -1.3485 -1.3485 -1.2209 -1.2209 -1.1038 -1.1038 -1.0634 -1.0634 0.0448 0.0448 0.1254 0.1254 3.1846 3.1846 3.3674 3.3674 5.2544 5.2544 6.7962 6.7962 8.5092 8.5092 9.3329 9.3329 k = 0.0862-0.0338-0.0005 ( 6952 PWs) bands (ev): -22.1757 -22.1757 -21.2037 -21.2037 -21.1664 -21.1664 -21.0880 -21.0880 -20.5132 -20.5132 -20.4313 -20.4313 -18.8092 -18.8092 -14.0943 -14.0943 -7.6975 -7.6975 -7.0720 -7.0720 -5.1063 -5.1063 -4.7926 -4.7926 -4.6135 -4.6135 -4.3889 -4.3889 -4.2301 -4.2301 -4.0654 -4.0654 -2.7316 -2.7316 -2.6210 -2.6210 -2.5811 -2.5811 -2.1059 -2.1059 -1.9450 -1.9450 -1.7385 -1.7385 -1.6979 -1.6979 -1.6379 -1.6379 -1.5366 -1.5366 -1.4435 -1.4435 -1.3496 -1.3496 -1.2188 -1.2188 -1.1004 -1.1004 -1.0624 -1.0624 0.0447 0.0447 0.1236 0.1236 3.1827 3.1827 3.3586 3.3586 5.2690 5.2690 6.7904 6.7904 8.5186 8.5186 9.3181 9.3181 k = 0.1034-0.0405-0.0006 ( 6949 PWs) bands (ev): -22.1752 -22.1752 -21.2042 -21.2042 -21.1669 -21.1669 -21.0880 -21.0880 -20.5129 -20.5129 -20.4314 -20.4314 -18.8091 -18.8091 -14.0946 -14.0946 -7.6924 -7.6924 -7.0761 -7.0761 -5.1061 -5.1061 -4.7888 -4.7888 -4.6131 -4.6131 -4.3906 -4.3906 -4.2321 -4.2321 -4.0704 -4.0704 -2.7281 -2.7281 -2.6130 -2.6130 -2.5754 -2.5754 -2.1041 -2.1041 -1.9471 -1.9471 -1.7395 -1.7395 -1.7011 -1.7011 -1.6418 -1.6418 -1.5426 -1.5426 -1.4476 -1.4476 -1.3510 -1.3510 -1.2163 -1.2163 -1.0965 -1.0965 -1.0612 -1.0612 0.0444 0.0444 0.1215 0.1215 3.1800 3.1800 3.3487 3.3487 5.2863 5.2863 6.7836 6.7836 8.5300 8.5300 9.3006 9.3006 k = 0.1207-0.0473-0.0007 ( 6946 PWs) bands (ev): -22.1746 -22.1746 -21.2047 -21.2047 -21.1675 -21.1675 -21.0880 -21.0880 -20.5125 -20.5125 -20.4315 -20.4315 -18.8091 -18.8091 -14.0950 -14.0950 -7.6864 -7.6864 -7.0809 -7.0809 -5.1059 -5.1059 -4.7844 -4.7844 -4.6126 -4.6126 -4.3926 -4.3926 -4.2344 -4.2344 -4.0762 -4.0762 -2.7242 -2.7242 -2.6037 -2.6037 -2.5686 -2.5686 -2.1021 -2.1021 -1.9494 -1.9494 -1.7408 -1.7408 -1.7047 -1.7047 -1.6464 -1.6464 -1.5497 -1.5497 -1.4519 -1.4519 -1.3525 -1.3525 -1.2135 -1.2135 -1.0924 -1.0924 -1.0596 -1.0596 0.0439 0.0439 0.1193 0.1193 3.1762 3.1762 3.3380 3.3380 5.3061 5.3061 6.7757 6.7757 8.5430 8.5430 9.2806 9.2806 k = 0.1379-0.0541-0.0008 ( 6949 PWs) bands (ev): -22.1739 -22.1739 -21.2053 -21.2053 -21.1681 -21.1681 -21.0880 -21.0880 -20.5121 -20.5121 -20.4316 -20.4316 -18.8090 -18.8090 -14.0954 -14.0954 -7.6796 -7.6796 -7.0865 -7.0865 -5.1057 -5.1057 -4.7793 -4.7793 -4.6121 -4.6121 -4.3948 -4.3948 -4.2370 -4.2370 -4.0826 -4.0826 -2.7201 -2.7201 -2.5932 -2.5932 -2.5608 -2.5608 -2.0999 -2.0999 -1.9518 -1.9518 -1.7426 -1.7426 -1.7088 -1.7088 -1.6515 -1.6515 -1.5579 -1.5579 -1.4565 -1.4565 -1.3543 -1.3543 -1.2104 -1.2104 -1.0882 -1.0882 -1.0574 -1.0574 0.0430 0.0430 0.1171 0.1171 3.1710 3.1710 3.3273 3.3273 5.3282 5.3282 6.7670 6.7670 8.5576 8.5576 9.2585 9.2585 k = 0.1552-0.0608-0.0010 ( 6951 PWs) bands (ev): -22.1731 -22.1731 -21.2060 -21.2060 -21.1687 -21.1687 -21.0880 -21.0880 -20.5116 -20.5116 -20.4317 -20.4317 -18.8089 -18.8089 -14.0959 -14.0959 -7.6719 -7.6719 -7.0927 -7.0927 -5.1054 -5.1054 -4.7736 -4.7736 -4.6116 -4.6116 -4.3974 -4.3974 -4.2397 -4.2397 -4.0898 -4.0898 -2.7158 -2.7158 -2.5816 -2.5816 -2.5519 -2.5519 -2.0975 -2.0975 -1.9543 -1.9543 -1.7449 -1.7449 -1.7131 -1.7131 -1.6571 -1.6571 -1.5671 -1.5671 -1.4611 -1.4611 -1.3561 -1.3561 -1.2070 -1.2070 -1.0842 -1.0842 -1.0546 -1.0546 0.0415 0.0415 0.1152 0.1152 3.1641 3.1641 3.3169 3.3169 5.3523 5.3523 6.7575 6.7575 8.5737 8.5737 9.2345 9.2345 k = 0.1724-0.0676-0.0011 ( 6952 PWs) bands (ev): -22.1723 -22.1723 -21.2068 -21.2068 -21.1694 -21.1694 -21.0880 -21.0880 -20.5111 -20.5111 -20.4318 -20.4318 -18.8088 -18.8088 -14.0964 -14.0964 -7.6635 -7.6635 -7.0997 -7.0997 -5.1050 -5.1050 -4.7674 -4.7674 -4.6109 -4.6109 -4.4002 -4.4002 -4.2425 -4.2425 -4.0976 -4.0976 -2.7114 -2.7114 -2.5692 -2.5692 -2.5419 -2.5419 -2.0950 -2.0950 -1.9568 -1.9568 -1.7478 -1.7478 -1.7176 -1.7176 -1.6632 -1.6632 -1.5771 -1.5771 -1.4656 -1.4656 -1.3582 -1.3582 -1.2034 -1.2034 -1.0805 -1.0805 -1.0511 -1.0511 0.0394 0.0394 0.1136 0.1136 3.1551 3.1551 3.3076 3.3076 5.3780 5.3780 6.7474 6.7474 8.5910 8.5910 9.2091 9.2091 k = 0.1897-0.0743-0.0012 ( 6955 PWs) bands (ev): -22.1714 -22.1714 -21.2076 -21.2076 -21.1701 -21.1701 -21.0880 -21.0880 -20.5105 -20.5105 -20.4319 -20.4319 -18.8087 -18.8087 -14.0969 -14.0969 -7.6543 -7.6543 -7.1073 -7.1073 -5.1047 -5.1047 -4.7605 -4.7605 -4.6102 -4.6102 -4.4034 -4.4034 -4.2454 -4.2454 -4.1059 -4.1059 -2.7069 -2.7069 -2.5564 -2.5564 -2.5305 -2.5305 -2.0924 -2.0924 -1.9592 -1.9592 -1.7516 -1.7516 -1.7222 -1.7222 -1.6696 -1.6696 -1.5879 -1.5879 -1.4700 -1.4700 -1.3603 -1.3603 -1.1996 -1.1996 -1.0774 -1.0774 -1.0468 -1.0468 0.0365 0.0365 0.1125 0.1125 3.1439 3.1439 3.2996 3.2996 5.4051 5.4051 6.7369 6.7369 8.6094 8.6094 9.1825 9.1825 k = 0.2069-0.0811-0.0013 ( 6953 PWs) bands (ev): -22.1705 -22.1705 -21.2085 -21.2085 -21.1708 -21.1708 -21.0879 -21.0879 -20.5099 -20.5099 -20.4321 -20.4321 -18.8086 -18.8086 -14.0975 -14.0975 -7.6444 -7.6444 -7.1156 -7.1156 -5.1043 -5.1043 -4.7531 -4.7531 -4.6095 -4.6095 -4.4067 -4.4067 -4.2484 -4.2484 -4.1147 -4.1147 -2.7025 -2.7025 -2.5436 -2.5436 -2.5176 -2.5176 -2.0896 -2.0896 -1.9613 -1.9613 -1.7562 -1.7562 -1.7269 -1.7269 -1.6763 -1.6763 -1.5993 -1.5993 -1.4744 -1.4744 -1.3626 -1.3626 -1.1957 -1.1957 -1.0748 -1.0748 -1.0417 -1.0417 0.0329 0.0329 0.1119 0.1119 3.1306 3.1306 3.2932 3.2932 5.4333 5.4333 6.7260 6.7260 8.6286 8.6286 9.1550 9.1550 k = 0.2241-0.0878-0.0014 ( 6949 PWs) bands (ev): -22.1696 -22.1696 -21.2095 -21.2095 -21.1715 -21.1715 -21.0879 -21.0879 -20.5094 -20.5094 -20.4322 -20.4322 -18.8085 -18.8085 -14.0980 -14.0980 -7.6338 -7.6338 -7.1245 -7.1245 -5.1038 -5.1038 -4.7452 -4.7452 -4.6087 -4.6087 -4.4104 -4.4104 -4.2514 -4.2514 -4.1239 -4.1239 -2.6981 -2.6981 -2.5311 -2.5311 -2.5033 -2.5033 -2.0868 -2.0868 -1.9633 -1.9633 -1.7617 -1.7617 -1.7316 -1.7316 -1.6832 -1.6832 -1.6111 -1.6111 -1.4785 -1.4785 -1.3649 -1.3649 -1.1917 -1.1917 -1.0725 -1.0725 -1.0362 -1.0362 0.0285 0.0285 0.1120 0.1120 3.1154 3.1154 3.2883 3.2883 5.4621 5.4621 6.7149 6.7149 8.6485 8.6485 9.1270 9.1270 k = 0.2414-0.0946-0.0015 ( 6947 PWs) bands (ev): -22.1686 -22.1686 -21.2105 -21.2105 -21.1722 -21.1722 -21.0878 -21.0878 -20.5088 -20.5088 -20.4323 -20.4323 -18.8084 -18.8084 -14.0986 -14.0986 -7.6226 -7.6226 -7.1341 -7.1341 -5.1034 -5.1034 -4.7369 -4.7369 -4.6078 -4.6078 -4.4143 -4.4143 -4.2543 -4.2543 -4.1333 -4.1333 -2.6938 -2.6938 -2.5190 -2.5190 -2.4876 -2.4876 -2.0839 -2.0839 -1.9649 -1.9649 -1.7682 -1.7682 -1.7364 -1.7364 -1.6903 -1.6903 -1.6232 -1.6232 -1.4825 -1.4825 -1.3673 -1.3673 -1.1876 -1.1876 -1.0705 -1.0705 -1.0303 -1.0303 0.0235 0.0235 0.1125 0.1125 3.0987 3.0987 3.2848 3.2848 5.4914 5.4914 6.7037 6.7037 8.6687 8.6687 9.0988 9.0988 k = 0.2586-0.1014-0.0016 ( 6947 PWs) bands (ev): -22.1676 -22.1676 -21.2116 -21.2116 -21.1729 -21.1729 -21.0878 -21.0878 -20.5082 -20.5082 -20.4325 -20.4325 -18.8082 -18.8082 -14.0992 -14.0992 -7.6108 -7.6108 -7.1442 -7.1442 -5.1029 -5.1029 -4.7282 -4.7282 -4.6069 -4.6069 -4.4184 -4.4184 -4.2572 -4.2572 -4.1430 -4.1430 -2.6896 -2.6896 -2.5071 -2.5071 -2.4710 -2.4710 -2.0810 -2.0810 -1.9662 -1.9662 -1.7754 -1.7754 -1.7416 -1.7416 -1.6973 -1.6973 -1.6351 -1.6351 -1.4864 -1.4864 -1.3697 -1.3697 -1.1836 -1.1836 -1.0686 -1.0686 -1.0242 -1.0242 0.0179 0.0179 0.1136 0.1136 3.0809 3.0809 3.2825 3.2825 5.5207 5.5207 6.6926 6.6926 8.6892 8.6892 9.0707 9.0707 k = 0.2759-0.1081-0.0017 ( 6947 PWs) bands (ev): -22.1667 -22.1667 -21.2127 -21.2127 -21.1735 -21.1735 -21.0877 -21.0877 -20.5076 -20.5076 -20.4326 -20.4326 -18.8081 -18.8081 -14.0997 -14.0997 -7.5985 -7.5985 -7.1548 -7.1548 -5.1024 -5.1024 -4.7191 -4.7191 -4.6059 -4.6059 -4.4227 -4.4227 -4.2600 -4.2600 -4.1527 -4.1527 -2.6855 -2.6855 -2.4956 -2.4956 -2.4537 -2.4537 -2.0779 -2.0779 -1.9671 -1.9671 -1.7832 -1.7832 -1.7473 -1.7473 -1.7042 -1.7042 -1.6468 -1.6468 -1.4901 -1.4901 -1.3721 -1.3721 -1.1797 -1.1797 -1.0669 -1.0669 -1.0181 -1.0181 0.0118 0.0118 0.1150 0.1150 3.0626 3.0626 3.2811 3.2811 5.5499 5.5499 6.6817 6.6817 8.7095 8.7095 9.0431 9.0431 k = 0.2931-0.1149-0.0018 ( 6951 PWs) bands (ev): -22.1657 -22.1657 -21.2138 -21.2138 -21.1741 -21.1741 -21.0876 -21.0876 -20.5070 -20.5070 -20.4328 -20.4328 -18.8080 -18.8080 -14.1003 -14.1003 -7.5858 -7.5858 -7.1659 -7.1659 -5.1019 -5.1019 -4.7099 -4.7099 -4.6049 -4.6049 -4.4272 -4.4272 -4.2627 -4.2627 -4.1624 -4.1624 -2.6816 -2.6816 -2.4844 -2.4844 -2.4361 -2.4361 -2.0746 -2.0746 -1.9676 -1.9676 -1.7915 -1.7915 -1.7538 -1.7538 -1.7110 -1.7110 -1.6579 -1.6579 -1.4936 -1.4936 -1.3744 -1.3744 -1.1760 -1.1760 -1.0651 -1.0651 -1.0121 -1.0121 0.0055 0.0055 0.1167 0.1167 3.0442 3.0442 3.2804 3.2804 5.5784 5.5784 6.6712 6.6712 8.7295 8.7295 9.0163 9.0163 k = 0.3103-0.1216-0.0019 ( 6955 PWs) bands (ev): -22.1648 -22.1648 -21.2150 -21.2150 -21.1746 -21.1746 -21.0875 -21.0875 -20.5065 -20.5065 -20.4329 -20.4329 -18.8079 -18.8079 -14.1008 -14.1008 -7.5728 -7.5728 -7.1774 -7.1774 -5.1013 -5.1013 -4.7005 -4.7005 -4.6038 -4.6038 -4.4318 -4.4318 -4.2653 -4.2653 -4.1720 -4.1720 -2.6779 -2.6779 -2.4735 -2.4735 -2.4185 -2.4185 -2.0711 -2.0711 -1.9676 -1.9676 -1.8002 -1.8002 -1.7613 -1.7613 -1.7174 -1.7174 -1.6681 -1.6681 -1.4969 -1.4969 -1.3767 -1.3767 -1.1725 -1.1725 -1.0633 -1.0633 -1.0062 -1.0062 -0.0009 -0.0009 0.1187 0.1187 3.0260 3.0260 3.2802 3.2802 5.6061 5.6061 6.6610 6.6610 8.7488 8.7488 8.9906 8.9906 k = 0.3276-0.1284-0.0020 ( 6958 PWs) bands (ev): -22.1639 -22.1639 -21.2161 -21.2161 -21.1751 -21.1751 -21.0875 -21.0875 -20.5059 -20.5059 -20.4330 -20.4330 -18.8078 -18.8078 -14.1013 -14.1013 -7.5595 -7.5595 -7.1892 -7.1892 -5.1008 -5.1008 -4.6910 -4.6910 -4.6026 -4.6026 -4.4366 -4.4366 -4.2677 -4.2677 -4.1812 -4.1812 -2.6744 -2.6744 -2.4631 -2.4631 -2.4013 -2.4013 -2.0673 -2.0673 -1.9673 -1.9673 -1.8092 -1.8092 -1.7700 -1.7700 -1.7235 -1.7235 -1.6772 -1.6772 -1.5000 -1.5000 -1.3789 -1.3789 -1.1692 -1.1692 -1.0615 -1.0615 -1.0005 -1.0005 -0.0074 -0.0074 0.1207 0.1207 3.0083 3.0083 3.2803 3.2803 5.6327 5.6327 6.6513 6.6513 8.7671 8.7671 8.9664 8.9664 k = 0.3448-0.1351-0.0021 ( 6964 PWs) bands (ev): -22.1630 -22.1630 -21.2171 -21.2171 -21.1756 -21.1756 -21.0874 -21.0874 -20.5054 -20.5054 -20.4331 -20.4331 -18.8077 -18.8077 -14.1018 -14.1018 -7.5461 -7.5461 -7.2012 -7.2012 -5.1003 -5.1003 -4.6817 -4.6817 -4.6014 -4.6014 -4.4415 -4.4415 -4.2701 -4.2701 -4.1901 -4.1901 -2.6712 -2.6712 -2.4532 -2.4532 -2.3847 -2.3847 -2.0632 -2.0632 -1.9666 -1.9666 -1.8182 -1.8182 -1.7796 -1.7796 -1.7293 -1.7293 -1.6851 -1.6851 -1.5030 -1.5030 -1.3809 -1.3809 -1.1662 -1.1662 -1.0596 -1.0596 -0.9952 -0.9952 -0.0137 -0.0137 0.1228 0.1228 2.9915 2.9915 3.2807 3.2807 5.6577 5.6577 6.6423 6.6423 8.7840 8.7840 8.9442 8.9442 k = 0.3621-0.1419-0.0022 ( 6957 PWs) bands (ev): -22.1623 -22.1623 -21.2182 -21.2182 -21.1760 -21.1760 -21.0873 -21.0873 -20.5050 -20.5050 -20.4333 -20.4333 -18.8076 -18.8076 -14.1023 -14.1023 -7.5328 -7.5328 -7.2134 -7.2134 -5.0998 -5.0998 -4.6726 -4.6726 -4.6000 -4.6000 -4.4465 -4.4465 -4.2723 -4.2723 -4.1984 -4.1984 -2.6682 -2.6682 -2.4438 -2.4438 -2.3689 -2.3689 -2.0586 -2.0586 -1.9656 -1.9656 -1.8273 -1.8273 -1.7900 -1.7900 -1.7345 -1.7345 -1.6917 -1.6917 -1.5057 -1.5057 -1.3828 -1.3828 -1.1636 -1.1636 -1.0578 -1.0578 -0.9903 -0.9903 -0.0197 -0.0197 0.1249 0.1249 2.9759 2.9759 3.2813 3.2813 5.6811 5.6811 6.6340 6.6340 8.7988 8.7988 8.9246 8.9246 k = 0.3793-0.1487-0.0023 ( 6966 PWs) bands (ev): -22.1615 -22.1615 -21.2191 -21.2191 -21.1764 -21.1764 -21.0872 -21.0872 -20.5046 -20.5046 -20.4334 -20.4334 -18.8075 -18.8075 -14.1027 -14.1027 -7.5196 -7.5196 -7.2254 -7.2254 -5.0993 -5.0993 -4.6640 -4.6640 -4.5986 -4.5986 -4.4514 -4.4514 -4.2745 -4.2745 -4.2061 -4.2061 -2.6656 -2.6656 -2.4352 -2.4352 -2.3543 -2.3543 -2.0535 -2.0535 -1.9644 -1.9644 -1.8363 -1.8363 -1.8009 -1.8009 -1.7393 -1.7393 -1.6971 -1.6971 -1.5082 -1.5082 -1.3846 -1.3846 -1.1613 -1.1613 -1.0559 -1.0559 -0.9858 -0.9858 -0.0253 -0.0253 0.1269 0.1269 2.9615 2.9615 3.2819 3.2819 5.7024 5.7024 6.6265 6.6265 8.8107 8.8107 8.9085 8.9085 k = 0.3966-0.1554-0.0024 ( 6965 PWs) bands (ev): -22.1609 -22.1609 -21.2199 -21.2199 -21.1767 -21.1767 -21.0871 -21.0871 -20.5042 -20.5042 -20.4335 -20.4335 -18.8075 -18.8075 -14.1031 -14.1031 -7.5068 -7.5068 -7.2372 -7.2372 -5.0989 -5.0989 -4.6560 -4.6560 -4.5969 -4.5969 -4.4562 -4.4562 -4.2765 -4.2765 -4.2129 -4.2129 -2.6632 -2.6632 -2.4275 -2.4275 -2.3410 -2.3410 -2.0481 -2.0481 -1.9630 -1.9630 -1.8451 -1.8451 -1.8118 -1.8118 -1.7436 -1.7436 -1.7016 -1.7016 -1.5104 -1.5104 -1.3861 -1.3861 -1.1593 -1.1593 -1.0542 -1.0542 -0.9818 -0.9818 -0.0304 -0.0304 0.1287 0.1287 2.9487 2.9487 3.2825 3.2825 5.7214 5.7214 6.6198 6.6198 8.8185 8.8185 8.8970 8.8970 k = 0.4138-0.1622-0.0025 ( 6966 PWs) bands (ev): -22.1603 -22.1603 -21.2207 -21.2207 -21.1769 -21.1769 -21.0871 -21.0871 -20.5039 -20.5039 -20.4335 -20.4335 -18.8074 -18.8074 -14.1034 -14.1034 -7.4947 -7.4947 -7.2484 -7.2484 -5.0985 -5.0985 -4.6489 -4.6489 -4.5952 -4.5952 -4.4608 -4.4608 -4.2783 -4.2783 -4.2188 -4.2188 -2.6612 -2.6612 -2.4207 -2.4207 -2.3294 -2.3294 -2.0424 -2.0424 -1.9616 -1.9616 -1.8537 -1.8537 -1.8221 -1.8221 -1.7473 -1.7473 -1.7051 -1.7051 -1.5123 -1.5123 -1.3874 -1.3874 -1.1577 -1.1577 -1.0525 -1.0525 -0.9783 -0.9783 -0.0349 -0.0349 0.1303 0.1303 2.9376 2.9376 3.2831 3.2831 5.7379 5.7379 6.6141 6.6141 8.8212 8.8212 8.8913 8.8913 k = 0.4310-0.1689-0.0026 ( 6967 PWs) bands (ev): -22.1599 -22.1599 -21.2213 -21.2213 -21.1771 -21.1771 -21.0870 -21.0870 -20.5036 -20.5036 -20.4336 -20.4336 -18.8073 -18.8073 -14.1037 -14.1037 -7.4837 -7.4837 -7.2588 -7.2588 -5.0981 -5.0981 -4.6429 -4.6429 -4.5934 -4.5934 -4.4650 -4.4650 -4.2800 -4.2800 -4.2236 -4.2236 -2.6596 -2.6596 -2.4150 -2.4150 -2.3196 -2.3196 -2.0366 -2.0366 -1.9601 -1.9601 -1.8619 -1.8619 -1.8311 -1.8311 -1.7504 -1.7504 -1.7078 -1.7078 -1.5138 -1.5138 -1.3885 -1.3885 -1.1564 -1.1564 -1.0511 -1.0511 -0.9754 -0.9754 -0.0388 -0.0388 0.1317 0.1317 2.9284 2.9284 3.2837 3.2837 5.7518 5.7518 6.6093 6.6093 8.8193 8.8193 8.8907 8.8907 k = 0.4483-0.1757-0.0027 ( 6971 PWs) bands (ev): -22.1595 -22.1595 -21.2218 -21.2218 -21.1773 -21.1773 -21.0870 -21.0870 -20.5034 -20.5034 -20.4337 -20.4337 -18.8073 -18.8073 -14.1039 -14.1039 -7.4742 -7.4742 -7.2677 -7.2677 -5.0979 -5.0979 -4.6382 -4.6382 -4.5916 -4.5916 -4.4686 -4.4686 -4.2814 -4.2814 -4.2275 -4.2275 -2.6583 -2.6583 -2.4105 -2.4105 -2.3118 -2.3118 -2.0312 -2.0312 -1.9588 -1.9588 -1.8694 -1.8694 -1.8386 -1.8386 -1.7528 -1.7528 -1.7099 -1.7099 -1.5151 -1.5151 -1.3894 -1.3894 -1.1554 -1.1554 -1.0499 -1.0499 -0.9731 -0.9731 -0.0418 -0.0418 0.1329 0.1329 2.9210 2.9210 3.2841 3.2841 5.7627 5.7627 6.6055 6.6055 8.8152 8.8152 8.8929 8.8929 k = 0.4655-0.1824-0.0029 ( 6969 PWs) bands (ev): -22.1592 -22.1592 -21.2222 -21.2222 -21.1774 -21.1774 -21.0870 -21.0870 -20.5032 -20.5032 -20.4337 -20.4337 -18.8073 -18.8073 -14.1040 -14.1040 -7.4667 -7.4667 -7.2747 -7.2747 -5.0977 -5.0977 -4.6347 -4.6347 -4.5900 -4.5900 -4.4714 -4.4714 -4.2824 -4.2824 -4.2302 -4.2302 -2.6573 -2.6573 -2.4072 -2.4072 -2.3062 -2.3062 -2.0266 -2.0266 -1.9577 -1.9577 -1.8755 -1.8755 -1.8441 -1.8441 -1.7546 -1.7546 -1.7113 -1.7113 -1.5160 -1.5160 -1.3900 -1.3900 -1.1547 -1.1547 -1.0491 -1.0491 -0.9714 -0.9714 -0.0441 -0.0441 0.1337 0.1337 2.9157 2.9157 3.2845 3.2845 5.7706 5.7706 6.6028 6.6028 8.8111 8.8111 8.8956 8.8956 k = 0.4828-0.1892-0.0030 ( 6971 PWs) bands (ev): -22.1591 -22.1591 -21.2224 -21.2224 -21.1775 -21.1775 -21.0869 -21.0869 -20.5032 -20.5032 -20.4337 -20.4337 -18.8073 -18.8073 -14.1041 -14.1041 -7.4620 -7.4620 -7.2792 -7.2792 -5.0976 -5.0976 -4.6327 -4.6327 -4.5889 -4.5889 -4.4732 -4.4732 -4.2831 -4.2831 -4.2318 -4.2318 -2.6568 -2.6568 -2.4052 -2.4052 -2.3027 -2.3027 -2.0236 -2.0236 -1.9569 -1.9569 -1.8797 -1.8797 -1.8474 -1.8474 -1.7556 -1.7556 -1.7121 -1.7121 -1.5166 -1.5166 -1.3904 -1.3904 -1.1543 -1.1543 -1.0485 -1.0485 -0.9704 -0.9704 -0.0454 -0.0454 0.1342 0.1342 2.9125 2.9125 3.2847 3.2847 5.7754 5.7754 6.6012 6.6012 8.8082 8.8082 8.8976 8.8976 k = 0.5000-0.1960-0.0031 ( 6974 PWs) bands (ev): -22.1590 -22.1590 -21.2225 -21.2225 -21.1775 -21.1775 -21.0869 -21.0869 -20.5031 -20.5031 -20.4337 -20.4337 -18.8073 -18.8073 -14.1042 -14.1042 -7.4603 -7.4603 -7.2808 -7.2808 -5.0975 -5.0975 -4.6320 -4.6320 -4.5885 -4.5885 -4.4738 -4.4738 -4.2833 -4.2833 -4.2324 -4.2324 -2.6566 -2.6566 -2.4045 -2.4045 -2.3016 -2.3016 -2.0225 -2.0225 -1.9567 -1.9567 -1.8811 -1.8811 -1.8485 -1.8485 -1.7560 -1.7560 -1.7124 -1.7124 -1.5168 -1.5168 -1.3906 -1.3906 -1.1541 -1.1541 -1.0483 -1.0483 -0.9701 -0.9701 -0.0459 -0.0459 0.1343 0.1343 2.9114 2.9114 3.2848 3.2848 5.7770 5.7770 6.6007 6.6007 8.8072 8.8072 8.8984 8.8984 k = 0.5000-0.1960 0.5496 ( 6942 PWs) bands (ev): -22.1283 -22.1283 -21.2215 -21.2215 -21.1785 -21.1785 -21.1187 -21.1187 -20.5079 -20.5079 -20.4372 -20.4372 -18.8061 -18.8061 -14.1055 -14.1055 -7.4075 -7.4075 -7.2745 -7.2745 -5.1998 -5.1998 -4.7948 -4.7948 -4.7089 -4.7089 -4.3298 -4.3298 -4.1729 -4.1729 -4.0377 -4.0377 -2.6031 -2.6031 -2.5582 -2.5582 -2.4634 -2.4634 -2.0448 -2.0448 -1.9948 -1.9948 -1.8962 -1.8962 -1.8618 -1.8618 -1.6924 -1.6924 -1.5943 -1.5943 -1.5228 -1.5228 -1.4793 -1.4793 -1.1943 -1.1943 -0.9893 -0.9893 -0.9401 -0.9401 0.0254 0.0254 0.1831 0.1831 2.8911 2.8911 3.2736 3.2736 5.8229 5.8229 6.6692 6.6692 8.6994 8.6994 9.9906 9.9906 k = 0.4878-0.1912 0.5362 ( 6942 PWs) bands (ev): -22.1284 -22.1284 -21.2214 -21.2214 -21.1785 -21.1785 -21.1186 -21.1186 -20.5079 -20.5079 -20.4372 -20.4372 -18.8061 -18.8061 -14.1054 -14.1054 -7.4077 -7.4077 -7.2747 -7.2747 -5.1993 -5.1993 -4.7943 -4.7943 -4.7088 -4.7088 -4.3300 -4.3300 -4.1733 -4.1733 -4.0384 -4.0384 -2.6025 -2.6025 -2.5581 -2.5581 -2.4631 -2.4631 -2.0459 -2.0459 -1.9968 -1.9968 -1.8943 -1.8943 -1.8602 -1.8602 -1.6925 -1.6925 -1.5944 -1.5944 -1.5231 -1.5231 -1.4796 -1.4796 -1.1940 -1.1940 -0.9893 -0.9893 -0.9402 -0.9402 0.0254 0.0254 0.1828 0.1828 2.8914 2.8914 3.2735 3.2735 5.8229 5.8229 6.6694 6.6694 8.6993 8.6993 9.9890 9.9890 k = 0.4756-0.1864 0.5228 ( 6940 PWs) bands (ev): -22.1286 -22.1286 -21.2213 -21.2213 -21.1784 -21.1784 -21.1185 -21.1185 -20.5079 -20.5079 -20.4371 -20.4371 -18.8061 -18.8061 -14.1054 -14.1054 -7.4082 -7.4082 -7.2751 -7.2751 -5.1978 -5.1978 -4.7930 -4.7930 -4.7085 -4.7085 -4.3306 -4.3306 -4.1743 -4.1743 -4.0405 -4.0405 -2.6009 -2.6009 -2.5578 -2.5578 -2.4623 -2.4623 -2.0491 -2.0491 -2.0022 -2.0022 -1.8892 -1.8892 -1.8556 -1.8556 -1.6929 -1.6929 -1.5945 -1.5945 -1.5239 -1.5239 -1.4805 -1.4805 -1.1931 -1.1931 -0.9893 -0.9893 -0.9405 -0.9405 0.0253 0.0253 0.1819 0.1819 2.8923 2.8923 3.2734 3.2734 5.8230 5.8230 6.6698 6.6698 8.6991 8.6991 9.9840 9.9840 k = 0.4634-0.1816 0.5094 ( 6936 PWs) bands (ev): -22.1289 -22.1289 -21.2212 -21.2212 -21.1784 -21.1784 -21.1184 -21.1184 -20.5079 -20.5079 -20.4371 -20.4371 -18.8061 -18.8061 -14.1053 -14.1053 -7.4091 -7.4091 -7.2757 -7.2757 -5.1954 -5.1954 -4.7908 -4.7908 -4.7081 -4.7081 -4.3316 -4.3316 -4.1761 -4.1761 -4.0441 -4.0441 -2.5983 -2.5983 -2.5572 -2.5572 -2.4611 -2.4611 -2.0544 -2.0544 -2.0095 -2.0095 -1.8821 -1.8821 -1.8482 -1.8482 -1.6934 -1.6934 -1.5946 -1.5946 -1.5251 -1.5251 -1.4818 -1.4818 -1.1917 -1.1917 -0.9892 -0.9892 -0.9411 -0.9411 0.0252 0.0252 0.1805 0.1805 2.8939 2.8939 3.2733 3.2733 5.8230 5.8230 6.6705 6.6705 8.6986 8.6986 9.9747 9.9747 k = 0.4512-0.1768 0.4959 ( 6939 PWs) bands (ev): -22.1294 -22.1294 -21.2209 -21.2209 -21.1782 -21.1782 -21.1181 -21.1181 -20.5079 -20.5079 -20.4370 -20.4370 -18.8061 -18.8061 -14.1052 -14.1052 -7.4104 -7.4104 -7.2763 -7.2763 -5.1921 -5.1921 -4.7877 -4.7877 -4.7075 -4.7075 -4.3330 -4.3330 -4.1785 -4.1785 -4.0489 -4.0489 -2.5948 -2.5948 -2.5565 -2.5565 -2.4595 -2.4595 -2.0617 -2.0617 -2.0175 -2.0175 -1.8739 -1.8739 -1.8385 -1.8385 -1.6942 -1.6942 -1.5948 -1.5948 -1.5268 -1.5268 -1.4837 -1.4837 -1.1897 -1.1897 -0.9892 -0.9892 -0.9418 -0.9418 0.0251 0.0251 0.1785 0.1785 2.8961 2.8961 3.2731 3.2731 5.8231 5.8231 6.6715 6.6715 8.6980 8.6980 9.9601 9.9601 k = 0.4390-0.1721 0.4825 ( 6937 PWs) bands (ev): -22.1301 -22.1301 -21.2207 -21.2207 -21.1781 -21.1781 -21.1178 -21.1178 -20.5079 -20.5079 -20.4369 -20.4369 -18.8062 -18.8062 -14.1050 -14.1050 -7.4124 -7.4124 -7.2769 -7.2769 -5.1879 -5.1879 -4.7838 -4.7838 -4.7067 -4.7067 -4.3348 -4.3348 -4.1815 -4.1815 -4.0550 -4.0550 -2.5907 -2.5907 -2.5554 -2.5554 -2.4575 -2.4575 -2.0706 -2.0706 -2.0250 -2.0250 -1.8653 -1.8653 -1.8271 -1.8271 -1.6951 -1.6951 -1.5950 -1.5950 -1.5289 -1.5289 -1.4859 -1.4859 -1.1873 -1.1873 -0.9892 -0.9892 -0.9427 -0.9427 0.0249 0.0249 0.1760 0.1760 2.8989 2.8989 3.2728 3.2728 5.8230 5.8230 6.6727 6.6727 8.6972 8.6972 9.9388 9.9388 k = 0.4268-0.1673 0.4691 ( 6936 PWs) bands (ev): -22.1308 -22.1308 -21.2203 -21.2203 -21.1779 -21.1779 -21.1175 -21.1175 -20.5080 -20.5080 -20.4368 -20.4368 -18.8062 -18.8062 -14.1048 -14.1048 -7.4151 -7.4151 -7.2772 -7.2772 -5.1829 -5.1829 -4.7792 -4.7792 -4.7057 -4.7057 -4.3371 -4.3371 -4.1850 -4.1850 -4.0621 -4.0621 -2.5861 -2.5861 -2.5539 -2.5539 -2.4554 -2.4554 -2.0809 -2.0809 -2.0317 -2.0317 -1.8564 -1.8564 -1.8148 -1.8148 -1.6960 -1.6960 -1.5951 -1.5951 -1.5315 -1.5315 -1.4885 -1.4885 -1.1845 -1.1845 -0.9894 -0.9894 -0.9439 -0.9439 0.0247 0.0247 0.1731 0.1731 2.9024 2.9024 3.2726 3.2726 5.8227 5.8227 6.6742 6.6742 8.6962 8.6962 9.9101 9.9101 k = 0.4146-0.1625 0.4557 ( 6946 PWs) bands (ev): -22.1317 -22.1317 -21.2199 -21.2199 -21.1777 -21.1777 -21.1171 -21.1171 -20.5080 -20.5080 -20.4367 -20.4367 -18.8062 -18.8062 -14.1046 -14.1046 -7.4187 -7.4187 -7.2771 -7.2771 -5.1773 -5.1773 -4.7739 -4.7739 -4.7045 -4.7045 -4.3398 -4.3398 -4.1890 -4.1890 -4.0701 -4.0701 -2.5815 -2.5815 -2.5519 -2.5519 -2.4532 -2.4532 -2.0920 -2.0920 -2.0372 -2.0372 -1.8475 -1.8475 -1.8022 -1.8022 -1.6970 -1.6970 -1.5951 -1.5951 -1.5343 -1.5343 -1.4913 -1.4913 -1.1814 -1.1814 -0.9897 -0.9897 -0.9452 -0.9452 0.0246 0.0246 0.1697 0.1697 2.9064 2.9064 3.2724 3.2724 5.8221 5.8221 6.6760 6.6760 8.6949 8.6949 9.8742 9.8742 k = 0.4024-0.1577 0.4423 ( 6944 PWs) bands (ev): -22.1327 -22.1327 -21.2195 -21.2195 -21.1775 -21.1775 -21.1166 -21.1166 -20.5081 -20.5081 -20.4365 -20.4365 -18.8063 -18.8063 -14.1044 -14.1044 -7.4232 -7.4232 -7.2764 -7.2764 -5.1710 -5.1710 -4.7680 -4.7680 -4.7031 -4.7031 -4.3431 -4.3431 -4.1934 -4.1934 -4.0788 -4.0788 -2.5772 -2.5772 -2.5492 -2.5492 -2.4511 -2.4511 -2.1034 -2.1034 -2.0415 -2.0415 -1.8387 -1.8387 -1.7896 -1.7896 -1.6977 -1.6977 -1.5949 -1.5949 -1.5374 -1.5374 -1.4943 -1.4943 -1.1780 -1.1780 -0.9903 -0.9903 -0.9466 -0.9466 0.0244 0.0244 0.1659 0.1659 2.9110 2.9110 3.2723 3.2723 5.8210 5.8210 6.6781 6.6781 8.6934 8.6934 9.8325 9.8325 k = 0.3902-0.1529 0.4289 ( 6949 PWs) bands (ev): -22.1338 -22.1338 -21.2190 -21.2190 -21.1772 -21.1772 -21.1160 -21.1160 -20.5081 -20.5081 -20.4363 -20.4363 -18.8063 -18.8063 -14.1041 -14.1041 -7.4289 -7.4289 -7.2750 -7.2750 -5.1642 -5.1642 -4.7616 -4.7616 -4.7014 -4.7014 -4.3469 -4.3469 -4.1980 -4.1980 -4.0881 -4.0881 -2.5737 -2.5737 -2.5456 -2.5456 -2.4493 -2.4493 -2.1145 -2.1145 -2.0447 -2.0447 -1.8303 -1.8303 -1.7775 -1.7775 -1.6981 -1.6981 -1.5944 -1.5944 -1.5408 -1.5408 -1.4972 -1.4972 -1.1745 -1.1745 -0.9912 -0.9912 -0.9482 -0.9482 0.0243 0.0243 0.1618 0.1618 2.9162 2.9162 3.2722 3.2722 5.8194 5.8194 6.6803 6.6803 8.6916 8.6916 9.7864 9.7864 k = 0.3780-0.1482 0.4155 ( 6953 PWs) bands (ev): -22.1351 -22.1351 -21.2185 -21.2185 -21.1769 -21.1769 -21.1154 -21.1154 -20.5082 -20.5082 -20.4361 -20.4361 -18.8064 -18.8064 -14.1038 -14.1038 -7.4355 -7.4355 -7.2727 -7.2727 -5.1570 -5.1570 -4.7549 -4.7549 -4.6994 -4.6994 -4.3512 -4.3512 -4.2027 -4.2027 -4.0977 -4.0977 -2.5712 -2.5712 -2.5413 -2.5413 -2.4479 -2.4479 -2.1251 -2.1251 -2.0466 -2.0466 -1.8224 -1.8224 -1.7662 -1.7662 -1.6980 -1.6980 -1.5934 -1.5934 -1.5443 -1.5443 -1.5000 -1.5000 -1.1708 -1.1708 -0.9925 -0.9925 -0.9499 -0.9499 0.0242 0.0242 0.1574 0.1574 2.9219 2.9219 3.2723 3.2723 5.8171 5.8171 6.6829 6.6829 8.6894 8.6894 9.7378 9.7378 k = 0.3659-0.1434 0.4021 ( 6956 PWs) bands (ev): -22.1364 -22.1364 -21.2179 -21.2179 -21.1766 -21.1766 -21.1147 -21.1147 -20.5083 -20.5083 -20.4359 -20.4359 -18.8064 -18.8064 -14.1035 -14.1035 -7.4433 -7.4433 -7.2695 -7.2695 -5.1495 -5.1495 -4.7480 -4.7480 -4.6971 -4.6971 -4.3560 -4.3560 -4.2075 -4.2075 -4.1074 -4.1074 -2.5696 -2.5696 -2.5365 -2.5365 -2.4471 -2.4471 -2.1346 -2.1346 -2.0473 -2.0473 -1.8153 -1.8153 -1.7559 -1.7559 -1.6971 -1.6971 -1.5921 -1.5921 -1.5478 -1.5478 -1.5025 -1.5025 -1.1671 -1.1671 -0.9943 -0.9943 -0.9516 -0.9516 0.0243 0.0243 0.1529 0.1529 2.9282 2.9282 3.2726 3.2726 5.8138 5.8138 6.6856 6.6856 8.6870 8.6870 9.6877 9.6877 k = 0.3537-0.1386 0.3887 ( 6962 PWs) bands (ev): -22.1378 -22.1378 -21.2173 -21.2173 -21.1762 -21.1762 -21.1139 -21.1139 -20.5084 -20.5084 -20.4357 -20.4357 -18.8065 -18.8065 -14.1031 -14.1031 -7.4521 -7.4521 -7.2654 -7.2654 -5.1419 -5.1419 -4.7413 -4.7413 -4.6943 -4.6943 -4.3614 -4.3614 -4.2123 -4.2123 -4.1170 -4.1170 -2.5689 -2.5689 -2.5318 -2.5318 -2.4470 -2.4470 -2.1429 -2.1429 -2.0467 -2.0467 -1.8091 -1.8091 -1.7469 -1.7469 -1.6952 -1.6952 -1.5904 -1.5904 -1.5512 -1.5512 -1.5047 -1.5047 -1.1633 -1.1633 -0.9967 -0.9967 -0.9535 -0.9535 0.0244 0.0244 0.1482 0.1482 2.9350 2.9350 3.2730 3.2730 5.8095 5.8095 6.6886 6.6886 8.6841 8.6841 9.6375 9.6375 k = 0.3415-0.1338 0.3753 ( 6957 PWs) bands (ev): -22.1393 -22.1393 -21.2166 -21.2166 -21.1758 -21.1758 -21.1131 -21.1131 -20.5085 -20.5085 -20.4355 -20.4355 -18.8066 -18.8066 -14.1027 -14.1027 -7.4618 -7.4618 -7.2605 -7.2605 -5.1342 -5.1342 -4.7350 -4.7350 -4.6909 -4.6909 -4.3672 -4.3672 -4.2170 -4.2170 -4.1262 -4.1262 -2.5689 -2.5689 -2.5275 -2.5275 -2.4478 -2.4478 -2.1496 -2.1496 -2.0449 -2.0449 -1.8041 -1.8041 -1.7391 -1.7391 -1.6924 -1.6924 -1.5885 -1.5885 -1.5541 -1.5541 -1.5063 -1.5063 -1.1597 -1.1597 -0.9997 -0.9997 -0.9554 -0.9554 0.0246 0.0246 0.1435 0.1435 2.9423 2.9423 3.2737 3.2737 5.8040 5.8040 6.6918 6.6918 8.6809 8.6809 9.5879 9.5879 k = 0.3293-0.1290 0.3619 ( 6956 PWs) bands (ev): -22.1409 -22.1409 -21.2159 -21.2159 -21.1754 -21.1754 -21.1122 -21.1122 -20.5087 -20.5087 -20.4353 -20.4353 -18.8067 -18.8067 -14.1024 -14.1024 -7.4723 -7.4723 -7.2548 -7.2548 -5.1265 -5.1265 -4.7294 -4.7294 -4.6867 -4.6867 -4.3734 -4.3734 -4.2215 -4.2215 -4.1349 -4.1349 -2.5695 -2.5695 -2.5242 -2.5242 -2.4495 -2.4495 -2.1547 -2.1547 -2.0419 -2.0419 -1.8002 -1.8002 -1.7324 -1.7324 -1.6887 -1.6887 -1.5868 -1.5868 -1.5560 -1.5560 -1.5074 -1.5074 -1.1562 -1.1562 -1.0032 -1.0032 -0.9574 -0.9574 0.0249 0.0249 0.1389 0.1389 2.9501 2.9501 3.2747 3.2747 5.7969 5.7969 6.6953 6.6953 8.6772 8.6772 9.5397 9.5397 k = 0.3171-0.1243 0.3485 ( 6961 PWs) bands (ev): -22.1426 -22.1426 -21.2152 -21.2152 -21.1750 -21.1750 -21.1113 -21.1113 -20.5088 -20.5088 -20.4351 -20.4351 -18.8068 -18.8068 -14.1020 -14.1020 -7.4834 -7.4834 -7.2483 -7.2483 -5.1191 -5.1191 -4.7247 -4.7247 -4.6819 -4.6819 -4.3797 -4.3797 -4.2259 -4.2259 -4.1427 -4.1427 -2.5706 -2.5706 -2.5220 -2.5220 -2.4521 -2.4521 -2.1579 -2.1579 -2.0380 -2.0380 -1.7974 -1.7974 -1.7266 -1.7266 -1.6845 -1.6845 -1.5861 -1.5861 -1.5561 -1.5561 -1.5077 -1.5077 -1.1529 -1.1529 -1.0074 -1.0074 -0.9597 -0.9597 0.0253 0.0253 0.1344 0.1344 2.9584 2.9584 3.2760 3.2760 5.7883 5.7883 6.6990 6.6990 8.6730 8.6730 9.4936 9.4936 k = 0.3049-0.1195 0.3351 ( 6963 PWs) bands (ev): -22.1443 -22.1443 -21.2145 -21.2145 -21.1746 -21.1746 -21.1103 -21.1103 -20.5090 -20.5090 -20.4348 -20.4348 -18.8068 -18.8068 -14.1015 -14.1015 -7.4952 -7.4952 -7.2411 -7.2411 -5.1120 -5.1120 -4.7211 -4.7211 -4.6763 -4.6763 -4.3861 -4.3861 -4.2300 -4.2300 -4.1495 -4.1495 -2.5724 -2.5724 -2.5213 -2.5213 -2.4555 -2.4555 -2.1594 -2.1594 -2.0331 -2.0331 -1.7955 -1.7955 -1.7216 -1.7216 -1.6798 -1.6798 -1.5869 -1.5869 -1.5540 -1.5540 -1.5072 -1.5072 -1.1498 -1.1498 -1.0121 -1.0121 -0.9621 -0.9621 0.0258 0.0258 0.1301 0.1301 2.9671 2.9671 3.2775 3.2775 5.7779 5.7779 6.7029 6.7029 8.6684 8.6684 9.4502 9.4502 k = 0.2927-0.1147 0.3217 ( 6965 PWs) bands (ev): -22.1461 -22.1461 -21.2138 -21.2138 -21.1742 -21.1742 -21.1093 -21.1093 -20.5092 -20.5092 -20.4346 -20.4346 -18.8069 -18.8069 -14.1011 -14.1011 -7.5073 -7.5073 -7.2333 -7.2333 -5.1053 -5.1053 -4.7185 -4.7185 -4.6704 -4.6704 -4.3924 -4.3924 -4.2339 -4.2339 -4.1551 -4.1551 -2.5747 -2.5747 -2.5223 -2.5223 -2.4596 -2.4596 -2.1590 -2.1590 -2.0276 -2.0276 -1.7941 -1.7941 -1.7173 -1.7173 -1.6749 -1.6749 -1.5891 -1.5891 -1.5499 -1.5499 -1.5057 -1.5057 -1.1471 -1.1471 -1.0173 -1.0173 -0.9649 -0.9649 0.0264 0.0264 0.1261 0.1261 2.9763 2.9763 3.2794 3.2794 5.7656 5.7656 6.7070 6.7070 8.6632 8.6632 9.4098 9.4098 k = 0.2805-0.1099 0.3083 ( 6971 PWs) bands (ev): -22.1479 -22.1479 -21.2131 -21.2131 -21.1737 -21.1737 -21.1082 -21.1082 -20.5094 -20.5094 -20.4343 -20.4343 -18.8071 -18.8071 -14.1007 -14.1007 -7.5198 -7.5198 -7.2251 -7.2251 -5.0991 -5.0991 -4.7171 -4.7171 -4.6642 -4.6642 -4.3982 -4.3982 -4.2376 -4.2376 -4.1593 -4.1593 -2.5778 -2.5778 -2.5248 -2.5248 -2.4643 -2.4643 -2.1571 -2.1571 -2.0217 -2.0217 -1.7929 -1.7929 -1.7139 -1.7139 -1.6696 -1.6696 -1.5921 -1.5921 -1.5445 -1.5445 -1.5032 -1.5032 -1.1447 -1.1447 -1.0228 -1.0228 -0.9681 -0.9681 0.0271 0.0271 0.1224 0.1224 2.9860 2.9860 3.2817 3.2817 5.7513 5.7513 6.7114 6.7114 8.6574 8.6574 9.3730 9.3730 k = 0.2683-0.1052 0.2949 ( 6971 PWs) bands (ev): -22.1497 -22.1497 -21.2123 -21.2123 -21.1732 -21.1732 -21.1071 -21.1071 -20.5096 -20.5096 -20.4341 -20.4341 -18.8072 -18.8072 -14.1002 -14.1002 -7.5324 -7.5324 -7.2163 -7.2163 -5.0935 -5.0935 -4.7166 -4.7166 -4.6581 -4.6581 -4.4035 -4.4035 -4.2410 -4.2410 -4.1622 -4.1622 -2.5815 -2.5815 -2.5289 -2.5289 -2.4695 -2.4695 -2.1539 -2.1539 -2.0155 -2.0155 -1.7914 -1.7914 -1.7112 -1.7112 -1.6641 -1.6641 -1.5955 -1.5955 -1.5386 -1.5386 -1.4995 -1.4995 -1.1428 -1.1428 -1.0285 -1.0285 -0.9717 -0.9717 0.0279 0.0279 0.1192 0.1192 2.9960 2.9960 3.2843 3.2843 5.7348 5.7348 6.7159 6.7159 8.6511 8.6511 9.3400 9.3400 k = 0.2561-0.1004 0.2815 ( 6967 PWs) bands (ev): -22.1516 -22.1516 -21.2116 -21.2116 -21.1727 -21.1727 -21.1059 -21.1059 -20.5098 -20.5098 -20.4339 -20.4339 -18.8073 -18.8073 -14.0998 -14.0998 -7.5452 -7.5452 -7.2073 -7.2073 -5.0887 -5.0887 -4.7170 -4.7170 -4.6524 -4.6524 -4.4080 -4.4080 -4.2440 -4.2440 -4.1635 -4.1635 -2.5860 -2.5860 -2.5341 -2.5341 -2.4752 -2.4752 -2.1496 -2.1496 -2.0093 -2.0093 -1.7895 -1.7895 -1.7095 -1.7095 -1.6585 -1.6585 -1.5987 -1.5987 -1.5324 -1.5324 -1.4945 -1.4945 -1.1415 -1.1415 -1.0343 -1.0343 -0.9757 -0.9757 0.0287 0.0287 0.1165 0.1165 3.0065 3.0065 3.2873 3.2873 5.7162 5.7162 6.7207 6.7207 8.6442 8.6442 9.3111 9.3111 k = 0.2439-0.0956 0.2681 ( 6964 PWs) bands (ev): -22.1535 -22.1535 -21.2109 -21.2109 -21.1722 -21.1722 -21.1047 -21.1047 -20.5100 -20.5100 -20.4336 -20.4336 -18.8074 -18.8074 -14.0993 -14.0993 -7.5579 -7.5579 -7.1979 -7.1979 -5.0846 -5.0846 -4.7184 -4.7184 -4.6472 -4.6472 -4.4116 -4.4116 -4.2465 -4.2465 -4.1634 -4.1634 -2.5915 -2.5915 -2.5403 -2.5403 -2.4813 -2.4813 -2.1445 -2.1445 -2.0034 -2.0034 -1.7868 -1.7868 -1.7084 -1.7084 -1.6529 -1.6529 -1.6016 -1.6016 -1.5264 -1.5264 -1.4884 -1.4884 -1.1409 -1.1409 -1.0400 -1.0400 -0.9803 -0.9803 0.0296 0.0296 0.1142 0.1142 3.0173 3.0173 3.2906 3.2906 5.6954 5.6954 6.7257 6.7257 8.6368 8.6368 9.2864 9.2864 k = 0.2317-0.0908 0.2547 ( 6963 PWs) bands (ev): -22.1553 -22.1553 -21.2102 -21.2102 -21.1717 -21.1717 -21.1035 -21.1035 -20.5103 -20.5103 -20.4334 -20.4334 -18.8075 -18.8075 -14.0988 -14.0988 -7.5705 -7.5705 -7.1883 -7.1883 -5.0812 -5.0812 -4.7207 -4.7207 -4.6425 -4.6425 -4.4142 -4.4142 -4.2486 -4.2486 -4.1620 -4.1620 -2.5979 -2.5979 -2.5469 -2.5469 -2.4880 -2.4880 -2.1390 -2.1390 -1.9978 -1.9978 -1.7833 -1.7833 -1.7080 -1.7080 -1.6477 -1.6477 -1.6037 -1.6037 -1.5205 -1.5205 -1.4812 -1.4812 -1.1412 -1.1412 -1.0455 -1.0455 -0.9854 -0.9854 0.0305 0.0305 0.1126 0.1126 3.0284 3.0284 3.2943 3.2943 5.6725 5.6725 6.7309 6.7309 8.6287 8.6287 9.2662 9.2662 k = 0.2195-0.0860 0.2413 ( 6956 PWs) bands (ev): -22.1572 -22.1572 -21.2095 -21.2095 -21.1712 -21.1712 -21.1023 -21.1023 -20.5105 -20.5105 -20.4332 -20.4332 -18.8077 -18.8077 -14.0984 -14.0984 -7.5829 -7.5829 -7.1786 -7.1786 -5.0788 -5.0788 -4.7238 -4.7238 -4.6384 -4.6384 -4.4157 -4.4157 -4.2502 -4.2502 -4.1592 -4.1592 -2.6053 -2.6053 -2.5537 -2.5537 -2.4951 -2.4951 -2.1333 -2.1333 -1.9927 -1.9927 -1.7788 -1.7788 -1.7080 -1.7080 -1.6432 -1.6432 -1.6046 -1.6046 -1.5147 -1.5147 -1.4732 -1.4732 -1.1423 -1.1423 -1.0506 -1.0506 -0.9910 -0.9910 0.0314 0.0314 0.1115 0.1115 3.0398 3.0398 3.2984 3.2984 5.6477 5.6477 6.7362 6.7362 8.6202 8.6202 9.2504 9.2504 k = 0.2073-0.0813 0.2279 ( 6954 PWs) bands (ev): -22.1590 -22.1590 -21.2088 -21.2088 -21.1707 -21.1707 -21.1011 -21.1011 -20.5108 -20.5108 -20.4330 -20.4330 -18.8078 -18.8078 -14.0979 -14.0979 -7.5950 -7.5950 -7.1688 -7.1688 -5.0772 -5.0772 -4.7278 -4.7278 -4.6349 -4.6349 -4.4163 -4.4163 -4.2511 -4.2511 -4.1552 -4.1552 -2.6137 -2.6137 -2.5605 -2.5605 -2.5026 -2.5026 -2.1278 -2.1278 -1.9879 -1.9879 -1.7734 -1.7734 -1.7084 -1.7084 -1.6401 -1.6401 -1.6038 -1.6038 -1.5089 -1.5089 -1.4646 -1.4646 -1.1444 -1.1444 -1.0550 -1.0550 -0.9971 -0.9971 0.0323 0.0323 0.1109 0.1109 3.0515 3.0515 3.3028 3.3028 5.6210 5.6210 6.7416 6.7416 8.6112 8.6112 9.2389 9.2389 k = 0.1951-0.0765 0.2145 ( 6964 PWs) bands (ev): -22.1608 -22.1608 -21.2082 -21.2082 -21.1702 -21.1702 -21.0999 -21.0999 -20.5111 -20.5111 -20.4328 -20.4328 -18.8079 -18.8079 -14.0975 -14.0975 -7.6068 -7.6068 -7.1591 -7.1591 -5.0764 -5.0764 -4.7324 -4.7324 -4.6319 -4.6319 -4.4159 -4.4159 -4.2514 -4.2514 -4.1501 -4.1501 -2.6230 -2.6230 -2.5671 -2.5671 -2.5105 -2.5105 -2.1227 -2.1227 -1.9836 -1.9836 -1.7674 -1.7674 -1.7090 -1.7090 -1.6384 -1.6384 -1.6012 -1.6012 -1.5030 -1.5030 -1.4557 -1.4557 -1.1476 -1.1476 -1.0589 -1.0589 -1.0037 -1.0037 0.0332 0.0332 0.1108 0.1108 3.0633 3.0633 3.3075 3.3075 5.5927 5.5927 6.7471 6.7471 8.6017 8.6017 9.2316 9.2316 k = 0.1829-0.0717 0.2011 ( 6965 PWs) bands (ev): -22.1625 -22.1625 -21.2075 -21.2075 -21.1697 -21.1697 -21.0987 -21.0987 -20.5114 -20.5114 -20.4326 -20.4326 -18.8081 -18.8081 -14.0971 -14.0971 -7.6182 -7.6182 -7.1494 -7.1494 -5.0763 -5.0763 -4.7377 -4.7377 -4.6293 -4.6293 -4.4148 -4.4148 -4.2512 -4.2512 -4.1440 -4.1440 -2.6329 -2.6329 -2.5734 -2.5734 -2.5186 -2.5186 -2.1182 -2.1182 -1.9795 -1.9795 -1.7610 -1.7610 -1.7096 -1.7096 -1.6379 -1.6379 -1.5969 -1.5969 -1.4970 -1.4970 -1.4465 -1.4465 -1.1518 -1.1518 -1.0620 -1.0620 -1.0108 -1.0108 0.0341 0.0341 0.1112 0.1112 3.0751 3.0751 3.3126 3.3126 5.5631 5.5631 6.7527 6.7527 8.5920 8.5920 9.2283 9.2283 k = 0.1707-0.0669 0.1877 ( 6960 PWs) bands (ev): -22.1642 -22.1642 -21.2069 -21.2069 -21.1692 -21.1692 -21.0975 -21.0975 -20.5116 -20.5116 -20.4324 -20.4324 -18.8082 -18.8082 -14.0967 -14.0967 -7.6291 -7.6291 -7.1399 -7.1399 -5.0771 -5.0771 -4.7434 -4.7434 -4.6270 -4.6270 -4.4130 -4.4130 -4.2504 -4.2504 -4.1371 -4.1371 -2.6432 -2.6432 -2.5796 -2.5796 -2.5268 -2.5268 -2.1144 -2.1144 -1.9755 -1.9755 -1.7545 -1.7545 -1.7101 -1.7101 -1.6382 -1.6382 -1.5915 -1.5915 -1.4909 -1.4909 -1.4372 -1.4372 -1.1569 -1.1569 -1.0646 -1.0646 -1.0181 -1.0181 0.0350 0.0350 0.1120 0.1120 3.0869 3.0869 3.3179 3.3179 5.5325 5.5325 6.7583 6.7583 8.5821 8.5821 9.2287 9.2287 k = 0.1585-0.0621 0.1743 ( 6962 PWs) bands (ev): -22.1658 -22.1658 -21.2064 -21.2064 -21.1688 -21.1688 -21.0963 -21.0963 -20.5119 -20.5119 -20.4322 -20.4322 -18.8083 -18.8083 -14.0963 -14.0963 -7.6395 -7.6395 -7.1307 -7.1307 -5.0784 -5.0784 -4.7494 -4.7494 -4.6250 -4.6250 -4.4108 -4.4108 -4.2491 -4.2491 -4.1296 -4.1296 -2.6537 -2.6537 -2.5856 -2.5856 -2.5351 -2.5351 -2.1113 -2.1113 -1.9717 -1.9717 -1.7483 -1.7483 -1.7103 -1.7103 -1.6388 -1.6388 -1.5853 -1.5853 -1.4847 -1.4847 -1.4279 -1.4279 -1.1627 -1.1627 -1.0667 -1.0667 -1.0256 -1.0256 0.0359 0.0359 0.1132 0.1132 3.0986 3.0986 3.3236 3.3236 5.5012 5.5012 6.7638 6.7638 8.5722 8.5722 9.2325 9.2325 k = 0.1463-0.0574 0.1608 ( 6965 PWs) bands (ev): -22.1673 -22.1673 -21.2059 -21.2059 -21.1683 -21.1683 -21.0952 -21.0952 -20.5122 -20.5122 -20.4321 -20.4321 -18.8085 -18.8085 -14.0959 -14.0959 -7.6493 -7.6493 -7.1218 -7.1218 -5.0804 -5.0804 -4.7555 -4.7555 -4.6233 -4.6233 -4.4082 -4.4082 -4.2474 -4.2474 -4.1216 -4.1216 -2.6642 -2.6642 -2.5915 -2.5915 -2.5432 -2.5432 -2.1091 -2.1091 -1.9679 -1.9679 -1.7429 -1.7429 -1.7099 -1.7099 -1.6393 -1.6393 -1.5788 -1.5788 -1.4785 -1.4785 -1.4186 -1.4186 -1.1691 -1.1691 -1.0685 -1.0685 -1.0332 -1.0332 0.0368 0.0368 0.1145 0.1145 3.1100 3.1100 3.3294 3.3294 5.4697 5.4697 6.7692 6.7692 8.5623 8.5623 9.2392 9.2392 k = 0.1341-0.0526 0.1474 ( 6965 PWs) bands (ev): -22.1688 -22.1688 -21.2054 -21.2054 -21.1678 -21.1678 -21.0942 -21.0942 -20.5124 -20.5124 -20.4319 -20.4319 -18.8086 -18.8086 -14.0956 -14.0956 -7.6585 -7.6585 -7.1132 -7.1132 -5.0828 -5.0828 -4.7617 -4.7617 -4.6218 -4.6218 -4.4055 -4.4055 -4.2454 -4.2454 -4.1133 -4.1133 -2.6746 -2.6746 -2.5974 -2.5974 -2.5509 -2.5509 -2.1076 -2.1076 -1.9641 -1.9641 -1.7387 -1.7387 -1.7086 -1.7086 -1.6396 -1.6396 -1.5721 -1.5721 -1.4725 -1.4725 -1.4094 -1.4094 -1.1757 -1.1757 -1.0702 -1.0702 -1.0406 -1.0406 0.0377 0.0377 0.1161 0.1161 3.1211 3.1211 3.3355 3.3355 5.4383 5.4383 6.7744 6.7744 8.5527 8.5527 9.2485 9.2485 k = 0.1220-0.0478 0.1340 ( 6960 PWs) bands (ev): -22.1701 -22.1701 -21.2049 -21.2049 -21.1674 -21.1674 -21.0932 -21.0932 -20.5127 -20.5127 -20.4318 -20.4318 -18.8087 -18.8087 -14.0952 -14.0952 -7.6670 -7.6670 -7.1052 -7.1052 -5.0855 -5.0855 -4.7677 -4.7677 -4.6204 -4.6204 -4.4026 -4.4026 -4.2431 -4.2431 -4.1050 -4.1050 -2.6847 -2.6847 -2.6031 -2.6031 -2.5583 -2.5583 -2.1067 -2.1067 -1.9605 -1.9605 -1.7360 -1.7360 -1.7065 -1.7065 -1.6395 -1.6395 -1.5653 -1.5653 -1.4665 -1.4665 -1.4005 -1.4005 -1.1825 -1.1825 -1.0723 -1.0723 -1.0475 -1.0475 0.0387 0.0387 0.1178 0.1178 3.1316 3.1316 3.3417 3.3417 5.4075 5.4075 6.7795 6.7795 8.5433 8.5433 9.2597 9.2597 k = 0.1098-0.0430 0.1206 ( 6954 PWs) bands (ev): -22.1714 -22.1714 -21.2045 -21.2045 -21.1670 -21.1670 -21.0923 -21.0923 -20.5129 -20.5129 -20.4317 -20.4317 -18.8088 -18.8088 -14.0949 -14.0949 -7.6748 -7.6748 -7.0976 -7.0976 -5.0885 -5.0885 -4.7735 -4.7735 -4.6193 -4.6193 -4.3997 -4.3997 -4.2406 -4.2406 -4.0968 -4.0968 -2.6942 -2.6942 -2.6088 -2.6088 -2.5651 -2.5651 -2.1064 -2.1064 -1.9570 -1.9570 -1.7346 -1.7346 -1.7038 -1.7038 -1.6390 -1.6390 -1.5587 -1.5587 -1.4609 -1.4609 -1.3918 -1.3918 -1.1892 -1.1892 -1.0752 -1.0752 -1.0533 -1.0533 0.0396 0.0396 0.1195 0.1195 3.1416 3.1416 3.3479 3.3479 5.3777 5.3777 6.7842 6.7842 8.5345 8.5345 9.2724 9.2724 k = 0.0976-0.0382 0.1072 ( 6946 PWs) bands (ev): -22.1725 -22.1725 -21.2041 -21.2041 -21.1667 -21.1667 -21.0914 -21.0914 -20.5131 -20.5131 -20.4315 -20.4315 -18.8089 -18.8089 -14.0947 -14.0947 -7.6818 -7.6818 -7.0906 -7.0906 -5.0916 -5.0916 -4.7789 -4.7789 -4.6182 -4.6182 -4.3970 -4.3970 -4.2381 -4.2381 -4.0888 -4.0888 -2.7032 -2.7032 -2.6142 -2.6142 -2.5712 -2.5712 -2.1065 -2.1065 -1.9536 -1.9536 -1.7341 -1.7341 -1.7009 -1.7009 -1.6381 -1.6381 -1.5522 -1.5522 -1.4555 -1.4555 -1.3836 -1.3836 -1.1957 -1.1957 -1.0793 -1.0793 -1.0575 -1.0575 0.0405 0.0405 0.1213 0.1213 3.1507 3.1507 3.3541 3.3541 5.3495 5.3495 6.7886 6.7886 8.5262 8.5262 9.2860 9.2860 k = 0.0854-0.0335 0.0938 ( 6943 PWs) bands (ev): -22.1735 -22.1735 -21.2038 -21.2038 -21.1663 -21.1663 -21.0906 -21.0906 -20.5133 -20.5133 -20.4314 -20.4314 -18.8090 -18.8090 -14.0944 -14.0944 -7.6881 -7.6881 -7.0844 -7.0844 -5.0946 -5.0946 -4.7839 -4.7839 -4.6173 -4.6173 -4.3944 -4.3944 -4.2355 -4.2355 -4.0814 -4.0814 -2.7114 -2.7114 -2.6194 -2.6194 -2.5767 -2.5767 -2.1069 -2.1069 -1.9506 -1.9506 -1.7342 -1.7342 -1.6982 -1.6982 -1.6369 -1.6369 -1.5461 -1.5461 -1.4505 -1.4505 -1.3758 -1.3758 -1.2019 -1.2019 -1.0844 -1.0844 -1.0603 -1.0603 0.0413 0.0413 0.1229 0.1229 3.1590 3.1590 3.3602 3.3602 5.3232 5.3232 6.7927 6.7927 8.5186 8.5186 9.2999 9.2999 k = 0.0732-0.0287 0.0804 ( 6948 PWs) bands (ev): -22.1744 -22.1744 -21.2035 -21.2035 -21.1660 -21.1660 -21.0900 -21.0900 -20.5135 -20.5135 -20.4314 -20.4314 -18.8091 -18.8091 -14.0942 -14.0942 -7.6937 -7.6937 -7.0788 -7.0788 -5.0975 -5.0975 -4.7883 -4.7883 -4.6165 -4.6165 -4.3920 -4.3920 -4.2331 -4.2331 -4.0745 -4.0745 -2.7188 -2.7188 -2.6242 -2.6242 -2.5814 -2.5814 -2.1074 -2.1074 -1.9478 -1.9478 -1.7345 -1.7345 -1.6959 -1.6959 -1.6353 -1.6353 -1.5405 -1.5405 -1.4460 -1.4460 -1.3687 -1.3687 -1.2075 -1.2075 -1.0900 -1.0900 -1.0621 -1.0621 0.0421 0.0421 0.1244 0.1244 3.1663 3.1663 3.3659 3.3659 5.2994 5.2994 6.7963 6.7963 8.5119 8.5119 9.3135 9.3135 k = 0.0610-0.0239 0.0670 ( 6958 PWs) bands (ev): -22.1752 -22.1752 -21.2033 -21.2033 -21.1658 -21.1658 -21.0894 -21.0894 -20.5137 -20.5137 -20.4313 -20.4313 -18.8092 -18.8092 -14.0940 -14.0940 -7.6984 -7.6984 -7.0740 -7.0740 -5.1001 -5.1001 -4.7922 -4.7922 -4.6158 -4.6158 -4.3900 -4.3900 -4.2309 -4.2309 -4.0685 -4.0685 -2.7253 -2.7253 -2.6285 -2.6285 -2.5854 -2.5854 -2.1081 -2.1081 -1.9454 -1.9454 -1.7350 -1.7350 -1.6940 -1.6940 -1.6337 -1.6337 -1.5355 -1.5355 -1.4421 -1.4421 -1.3623 -1.3623 -1.2126 -1.2126 -1.0955 -1.0955 -1.0631 -1.0631 0.0428 0.0428 0.1258 0.1258 3.1726 3.1726 3.3711 3.3711 5.2784 5.2784 6.7994 6.7994 8.5060 8.5060 9.3263 9.3263 k = 0.0488-0.0191 0.0536 ( 6959 PWs) bands (ev): -22.1758 -22.1758 -21.2031 -21.2031 -21.1656 -21.1656 -21.0889 -21.0889 -20.5138 -20.5138 -20.4312 -20.4312 -18.8092 -18.8092 -14.0938 -14.0938 -7.7022 -7.7022 -7.0700 -7.0700 -5.1024 -5.1024 -4.7954 -4.7954 -4.6153 -4.6153 -4.3882 -4.3882 -4.2290 -4.2290 -4.0634 -4.0634 -2.7307 -2.7307 -2.6322 -2.6322 -2.5886 -2.5886 -2.1087 -2.1087 -1.9434 -1.9434 -1.7355 -1.7355 -1.6926 -1.6926 -1.6322 -1.6322 -1.5312 -1.5312 -1.4388 -1.4388 -1.3568 -1.3568 -1.2168 -1.2168 -1.1005 -1.1005 -1.0639 -1.0639 0.0435 0.0435 0.1270 0.1270 3.1778 3.1778 3.3756 3.3756 5.2607 5.2607 6.8021 6.8021 8.5010 8.5010 9.3377 9.3377 k = 0.0366-0.0143 0.0402 ( 6957 PWs) bands (ev): -22.1763 -22.1763 -21.2029 -21.2029 -21.1654 -21.1654 -21.0885 -21.0885 -20.5139 -20.5139 -20.4312 -20.4312 -18.8093 -18.8093 -14.0937 -14.0937 -7.7053 -7.7053 -7.0668 -7.0668 -5.1043 -5.1043 -4.7979 -4.7979 -4.6149 -4.6149 -4.3868 -4.3868 -4.2274 -4.2274 -4.0593 -4.0593 -2.7350 -2.7350 -2.6352 -2.6352 -2.5911 -2.5911 -2.1093 -2.1093 -1.9419 -1.9419 -1.7359 -1.7359 -1.6916 -1.6916 -1.6308 -1.6308 -1.5277 -1.5277 -1.4361 -1.4361 -1.3524 -1.3524 -1.2203 -1.2203 -1.1047 -1.1047 -1.0643 -1.0643 0.0440 0.0440 0.1279 0.1279 3.1819 3.1819 3.3794 3.3794 5.2465 5.2465 6.8042 6.8042 8.4971 8.4971 9.3472 9.3472 k = 0.0244-0.0096 0.0268 ( 6956 PWs) bands (ev): -22.1767 -22.1767 -21.2028 -21.2028 -21.1653 -21.1653 -21.0882 -21.0882 -20.5140 -20.5140 -20.4312 -20.4312 -18.8093 -18.8093 -14.0936 -14.0936 -7.7074 -7.7074 -7.0645 -7.0645 -5.1056 -5.1056 -4.7998 -4.7998 -4.6146 -4.6146 -4.3858 -4.3858 -4.2262 -4.2262 -4.0563 -4.0563 -2.7381 -2.7381 -2.6374 -2.6374 -2.5929 -2.5929 -2.1097 -2.1097 -1.9407 -1.9407 -1.7363 -1.7363 -1.6909 -1.6909 -1.6297 -1.6297 -1.5252 -1.5252 -1.4341 -1.4341 -1.3491 -1.3491 -1.2228 -1.2228 -1.1079 -1.1079 -1.0646 -1.0646 0.0443 0.0443 0.1286 0.1286 3.1848 3.1848 3.3822 3.3822 5.2362 5.2362 6.8057 6.8057 8.4943 8.4943 9.3543 9.3543 k = 0.0122-0.0048 0.0134 ( 6955 PWs) bands (ev): -22.1769 -22.1769 -21.2027 -21.2027 -21.1652 -21.1652 -21.0881 -21.0881 -20.5140 -20.5140 -20.4311 -20.4311 -18.8094 -18.8094 -14.0936 -14.0936 -7.7087 -7.7087 -7.0632 -7.0632 -5.1065 -5.1065 -4.8009 -4.8009 -4.6144 -4.6144 -4.3852 -4.3852 -4.2255 -4.2255 -4.0545 -4.0545 -2.7400 -2.7400 -2.6387 -2.6387 -2.5940 -2.5940 -2.1100 -2.1100 -1.9400 -1.9400 -1.7365 -1.7365 -1.6905 -1.6905 -1.6290 -1.6290 -1.5236 -1.5236 -1.4329 -1.4329 -1.3471 -1.3471 -1.2244 -1.2244 -1.1098 -1.1098 -1.0648 -1.0648 0.0445 0.0445 0.1290 0.1290 3.1866 3.1866 3.3839 3.3839 5.2299 5.2299 6.8066 6.8066 8.4926 8.4926 9.3587 9.3587 k = 0.0000 0.0000 0.0000 ( 6959 PWs) bands (ev): -22.1770 -22.1770 -21.2027 -21.2027 -21.1652 -21.1652 -21.0880 -21.0880 -20.5141 -20.5141 -20.4311 -20.4311 -18.8094 -18.8094 -14.0936 -14.0936 -7.7092 -7.7092 -7.0627 -7.0627 -5.1068 -5.1068 -4.8013 -4.8013 -4.6143 -4.6143 -4.3850 -4.3850 -4.2252 -4.2252 -4.0539 -4.0539 -2.7406 -2.7406 -2.6392 -2.6392 -2.5943 -2.5943 -2.1101 -2.1101 -1.9398 -1.9398 -1.7366 -1.7366 -1.6904 -1.6904 -1.6288 -1.6288 -1.5231 -1.5231 -1.4325 -1.4325 -1.3464 -1.3464 -1.2249 -1.2249 -1.1105 -1.1105 -1.0649 -1.0649 0.0446 0.0446 0.1291 0.1291 3.1872 3.1872 3.3845 3.3845 5.2278 5.2278 6.8069 6.8069 8.4920 8.4920 9.3602 9.3602 Writing output data file SbS2NF6.save init_run : 0.58s CPU 0.75s WALL ( 1 calls) electrons : 279.78s CPU 283.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 279.77s CPU 283.10s WALL ( 1 calls) v_of_rho : 0.00s 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 : 0.13s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.13s WALL ( 272 calls) cegterg : 258.71s CPU 261.03s WALL ( 369 calls) Called by sum_band: Called by *egterg: h_psi : 155.22s CPU 157.01s WALL ( 6043 calls) s_psi : 10.24s CPU 10.31s WALL ( 6043 calls) g_psi : 0.51s CPU 0.44s WALL ( 5402 calls) cdiaghg : 75.36s CPU 76.09s WALL ( 5674 calls) cegterg:over : 13.28s CPU 13.33s WALL ( 5402 calls) cegterg:upda : 11.34s CPU 11.41s WALL ( 5402 calls) cegterg:last : 5.85s CPU 5.88s WALL ( 913 calls) cdiaghg:chol : 4.51s CPU 4.42s WALL ( 5674 calls) cdiaghg:inve : 3.31s CPU 3.23s WALL ( 5674 calls) cdiaghg:para : 5.63s CPU 5.67s WALL ( 11348 calls) Called by h_psi: h_psi:vloc : 134.40s CPU 135.79s WALL ( 6043 calls) h_psi:vnl : 20.42s CPU 20.76s WALL ( 6043 calls) add_vuspsi : 10.28s CPU 10.53s WALL ( 6043 calls) General routines calbec : 10.11s CPU 10.21s WALL ( 6043 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 126.44s CPU 128.00s WALL ( 882908 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.38s WALL ( 544 calls) Parallel routines fft_scatter : 39.02s CPU 39.59s WALL ( 882931 calls) PWSCF : 5m 6.60s CPU 5m24.56s WALL This run was terminated on: 18:12:49 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=