Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13: 8:49 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: ./AsS2NF6.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 79 49 14 3039 1484 226 Max 80 50 15 3044 1509 229 Sum 2877 1789 507 109531 53799 8173 bravais-lattice index = 14 lattice parameter (alat) = 10.9702 a.u. unit-cell volume = 1127.2541 (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)= 10.970201 celldm(2)= 1.000000 celldm(3)= 0.913270 celldm(4)= 0.016516 celldm(5)= 0.016516 celldm(6)= 0.354338 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.354338 0.935117 0.000000 ) a(3) = ( 0.015083 0.010414 0.913086 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.378924 -0.012197 ) b(2) = ( 0.000000 1.069385 -0.012197 ) b(3) = ( 0.000000 0.000000 1.095187 ) 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 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 PseudoPot. # 4 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 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) N 5.00 14.00670 N( 1.00) As 5.00 74.92160 As( 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= 274 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0151515 0.0104615 -0.0003696), wk = 0.0036496 k( 3) = ( 0.0303030 0.0209231 -0.0007392), wk = 0.0036496 k( 4) = ( 0.0454546 0.0313846 -0.0011088), wk = 0.0036496 k( 5) = ( 0.0606061 0.0418461 -0.0014784), wk = 0.0036496 k( 6) = ( 0.0757576 0.0523076 -0.0018480), wk = 0.0036496 k( 7) = ( 0.0909091 0.0627692 -0.0022176), wk = 0.0036496 k( 8) = ( 0.1060606 0.0732307 -0.0025873), wk = 0.0036496 k( 9) = ( 0.1212121 0.0836922 -0.0029569), wk = 0.0036496 k( 10) = ( 0.1363636 0.0941537 -0.0033265), wk = 0.0036496 k( 11) = ( 0.1515151 0.1046153 -0.0036961), wk = 0.0036496 k( 12) = ( 0.1666667 0.1150768 -0.0040657), wk = 0.0036496 k( 13) = ( 0.1818182 0.1255383 -0.0044353), wk = 0.0036496 k( 14) = ( 0.1969697 0.1359998 -0.0048049), wk = 0.0036496 k( 15) = ( 0.2121212 0.1464614 -0.0051745), wk = 0.0036496 k( 16) = ( 0.2272727 0.1569229 -0.0055441), wk = 0.0036496 k( 17) = ( 0.2424242 0.1673844 -0.0059137), wk = 0.0036496 k( 18) = ( 0.2575758 0.1778459 -0.0062833), wk = 0.0036496 k( 19) = ( 0.2727273 0.1883075 -0.0066529), wk = 0.0036496 k( 20) = ( 0.2878788 0.1987690 -0.0070225), wk = 0.0036496 k( 21) = ( 0.3030303 0.2092305 -0.0073922), wk = 0.0036496 k( 22) = ( 0.3181818 0.2196921 -0.0077618), wk = 0.0036496 k( 23) = ( 0.3333333 0.2301536 -0.0081314), wk = 0.0036496 k( 24) = ( 0.3484849 0.2406151 -0.0085010), wk = 0.0036496 k( 25) = ( 0.3636364 0.2510766 -0.0088706), wk = 0.0036496 k( 26) = ( 0.3787879 0.2615382 -0.0092402), wk = 0.0036496 k( 27) = ( 0.3939394 0.2719997 -0.0096098), wk = 0.0036496 k( 28) = ( 0.4090909 0.2824612 -0.0099794), wk = 0.0036496 k( 29) = ( 0.4242424 0.2929227 -0.0103490), wk = 0.0036496 k( 30) = ( 0.4393939 0.3033843 -0.0107186), wk = 0.0036496 k( 31) = ( 0.4545455 0.3138458 -0.0110882), wk = 0.0036496 k( 32) = ( 0.4696970 0.3243073 -0.0114578), wk = 0.0036496 k( 33) = ( 0.4848485 0.3347688 -0.0118274), wk = 0.0036496 k( 34) = ( 0.5000000 0.3452304 -0.0121971), wk = 0.0036496 k( 35) = ( 0.5000000 0.3452304 -0.0121971), wk = 0.0036496 k( 36) = ( 0.5003050 0.3454409 0.0062649), wk = 0.0036496 k( 37) = ( 0.5006099 0.3456515 0.0247268), wk = 0.0036496 k( 38) = ( 0.5009149 0.3458621 0.0431888), wk = 0.0036496 k( 39) = ( 0.5012199 0.3460727 0.0616507), wk = 0.0036496 k( 40) = ( 0.5015249 0.3462832 0.0801126), wk = 0.0036496 k( 41) = ( 0.5018298 0.3464938 0.0985746), wk = 0.0036496 k( 42) = ( 0.5021348 0.3467044 0.1170365), wk = 0.0036496 k( 43) = ( 0.5024398 0.3469149 0.1354985), wk = 0.0036496 k( 44) = ( 0.5027447 0.3471255 0.1539604), wk = 0.0036496 k( 45) = ( 0.5030497 0.3473361 0.1724223), wk = 0.0036496 k( 46) = ( 0.5033547 0.3475467 0.1908843), wk = 0.0036496 k( 47) = ( 0.5036597 0.3477572 0.2093462), wk = 0.0036496 k( 48) = ( 0.5039646 0.3479678 0.2278082), wk = 0.0036496 k( 49) = ( 0.5042696 0.3481784 0.2462701), wk = 0.0036496 k( 50) = ( 0.5045746 0.3483889 0.2647320), wk = 0.0036496 k( 51) = ( 0.5048795 0.3485995 0.2831940), wk = 0.0036496 k( 52) = ( 0.5051845 0.3488101 0.3016559), wk = 0.0036496 k( 53) = ( 0.5054895 0.3490206 0.3201178), wk = 0.0036496 k( 54) = ( 0.5057945 0.3492312 0.3385798), wk = 0.0036496 k( 55) = ( 0.5060994 0.3494418 0.3570417), wk = 0.0036496 k( 56) = ( 0.5064044 0.3496524 0.3755037), wk = 0.0036496 k( 57) = ( 0.5067094 0.3498629 0.3939656), wk = 0.0036496 k( 58) = ( 0.5070143 0.3500735 0.4124275), wk = 0.0036496 k( 59) = ( 0.5073193 0.3502841 0.4308895), wk = 0.0036496 k( 60) = ( 0.5076243 0.3504946 0.4493514), wk = 0.0036496 k( 61) = ( 0.5079293 0.3507052 0.4678134), wk = 0.0036496 k( 62) = ( 0.5082342 0.3509158 0.4862753), wk = 0.0036496 k( 63) = ( 0.5085392 0.3511264 0.5047372), wk = 0.0036496 k( 64) = ( 0.5088442 0.3513369 0.5231992), wk = 0.0036496 k( 65) = ( 0.5088442 0.3513369 0.5231992), wk = 0.0036496 k( 66) = ( 0.5000000 0.3452304 0.5353962), wk = 0.0036496 k( 67) = ( 0.5000000 0.3452304 0.5353962), wk = 0.0036496 k( 68) = ( 0.5103908 0.3301813 0.5353962), wk = 0.0036496 k( 69) = ( 0.5207816 0.3151322 0.5353962), wk = 0.0036496 k( 70) = ( 0.5311724 0.3000831 0.5353962), wk = 0.0036496 k( 71) = ( 0.5415632 0.2850341 0.5353962), wk = 0.0036496 k( 72) = ( 0.5519540 0.2699850 0.5353962), wk = 0.0036496 k( 73) = ( 0.5623448 0.2549359 0.5353962), wk = 0.0036496 k( 74) = ( 0.5727356 0.2398868 0.5353962), wk = 0.0036496 k( 75) = ( 0.5831264 0.2248378 0.5353962), wk = 0.0036496 k( 76) = ( 0.5935172 0.2097887 0.5353962), wk = 0.0036496 k( 77) = ( 0.6039080 0.1947396 0.5353962), wk = 0.0036496 k( 78) = ( 0.6142988 0.1796905 0.5353962), wk = 0.0036496 k( 79) = ( 0.6246896 0.1646414 0.5353962), wk = 0.0036496 k( 80) = ( 0.6350804 0.1495924 0.5353962), wk = 0.0036496 k( 81) = ( 0.3649196 -0.5285161 0.5475933), wk = 0.0036496 k( 82) = ( 0.3544934 -0.5134157 0.5475933), wk = 0.0036496 k( 83) = ( 0.3440671 -0.4983152 0.5475933), wk = 0.0036496 k( 84) = ( 0.3336408 -0.4832148 0.5475933), wk = 0.0036496 k( 85) = ( 0.3232145 -0.4681143 0.5475933), wk = 0.0036496 k( 86) = ( 0.3127883 -0.4530138 0.5475933), wk = 0.0036496 k( 87) = ( 0.3023620 -0.4379134 0.5475933), wk = 0.0036496 k( 88) = ( 0.2919357 -0.4228129 0.5475933), wk = 0.0036496 k( 89) = ( 0.2815094 -0.4077125 0.5475933), wk = 0.0036496 k( 90) = ( 0.2710832 -0.3926120 0.5475933), wk = 0.0036496 k( 91) = ( 0.2606569 -0.3775115 0.5475933), wk = 0.0036496 k( 92) = ( 0.2502306 -0.3624111 0.5475933), wk = 0.0036496 k( 93) = ( 0.2398043 -0.3473106 0.5475933), wk = 0.0036496 k( 94) = ( 0.2293781 -0.3322101 0.5475933), wk = 0.0036496 k( 95) = ( 0.2189518 -0.3171097 0.5475933), wk = 0.0036496 k( 96) = ( 0.2085255 -0.3020092 0.5475933), wk = 0.0036496 k( 97) = ( 0.1980992 -0.2869088 0.5475933), wk = 0.0036496 k( 98) = ( 0.1876730 -0.2718083 0.5475933), wk = 0.0036496 k( 99) = ( 0.1772467 -0.2567078 0.5475933), wk = 0.0036496 k( 100) = ( 0.1668204 -0.2416074 0.5475933), wk = 0.0036496 k( 101) = ( 0.1563941 -0.2265069 0.5475933), wk = 0.0036496 k( 102) = ( 0.1459679 -0.2114065 0.5475933), wk = 0.0036496 k( 103) = ( 0.1355416 -0.1963060 0.5475933), wk = 0.0036496 k( 104) = ( 0.1251153 -0.1812055 0.5475933), wk = 0.0036496 k( 105) = ( 0.1146890 -0.1661051 0.5475933), wk = 0.0036496 k( 106) = ( 0.1042628 -0.1510046 0.5475933), wk = 0.0036496 k( 107) = ( 0.0938365 -0.1359042 0.5475933), wk = 0.0036496 k( 108) = ( 0.0834102 -0.1208037 0.5475933), wk = 0.0036496 k( 109) = ( 0.0729839 -0.1057032 0.5475933), wk = 0.0036496 k( 110) = ( 0.0625577 -0.0906028 0.5475933), wk = 0.0036496 k( 111) = ( 0.0521314 -0.0755023 0.5475933), wk = 0.0036496 k( 112) = ( 0.0417051 -0.0604018 0.5475933), wk = 0.0036496 k( 113) = ( 0.0312788 -0.0453014 0.5475933), wk = 0.0036496 k( 114) = ( 0.0208526 -0.0302009 0.5475933), wk = 0.0036496 k( 115) = ( 0.0104263 -0.0151005 0.5475933), wk = 0.0036496 k( 116) = ( 0.0000000 0.0000000 0.5475933), wk = 0.0036496 k( 117) = ( 0.0000000 0.0000000 0.5475933), wk = 0.0036496 k( 118) = ( 0.0148835 0.0102765 0.5475933), wk = 0.0036496 k( 119) = ( 0.0297670 0.0205530 0.5475933), wk = 0.0036496 k( 120) = ( 0.0446505 0.0308294 0.5475933), wk = 0.0036496 k( 121) = ( 0.0595340 0.0411059 0.5475933), wk = 0.0036496 k( 122) = ( 0.0744175 0.0513824 0.5475933), wk = 0.0036496 k( 123) = ( 0.0893011 0.0616589 0.5475933), wk = 0.0036496 k( 124) = ( 0.1041846 0.0719354 0.5475933), wk = 0.0036496 k( 125) = ( 0.1190681 0.0822118 0.5475933), wk = 0.0036496 k( 126) = ( 0.1339516 0.0924883 0.5475933), wk = 0.0036496 k( 127) = ( 0.1488351 0.1027648 0.5475933), wk = 0.0036496 k( 128) = ( 0.1637186 0.1130413 0.5475933), wk = 0.0036496 k( 129) = ( 0.1786021 0.1233178 0.5475933), wk = 0.0036496 k( 130) = ( 0.1934856 0.1335942 0.5475933), wk = 0.0036496 k( 131) = ( 0.2083691 0.1438707 0.5475933), wk = 0.0036496 k( 132) = ( 0.2232526 0.1541472 0.5475933), wk = 0.0036496 k( 133) = ( 0.2381362 0.1644237 0.5475933), wk = 0.0036496 k( 134) = ( 0.2530197 0.1747001 0.5475933), wk = 0.0036496 k( 135) = ( 0.2679032 0.1849766 0.5475933), wk = 0.0036496 k( 136) = ( 0.2827867 0.1952531 0.5475933), wk = 0.0036496 k( 137) = ( 0.2976702 0.2055296 0.5475933), wk = 0.0036496 k( 138) = ( 0.3125537 0.2158061 0.5475933), wk = 0.0036496 k( 139) = ( 0.3274372 0.2260825 0.5475933), wk = 0.0036496 k( 140) = ( 0.3423207 0.2363590 0.5475933), wk = 0.0036496 k( 141) = ( 0.3572042 0.2466355 0.5475933), wk = 0.0036496 k( 142) = ( 0.3720877 0.2569120 0.5475933), wk = 0.0036496 k( 143) = ( 0.3869712 0.2671885 0.5475933), wk = 0.0036496 k( 144) = ( 0.4018548 0.2774649 0.5475933), wk = 0.0036496 k( 145) = ( 0.4167383 0.2877414 0.5475933), wk = 0.0036496 k( 146) = ( 0.4316218 0.2980179 0.5475933), wk = 0.0036496 k( 147) = ( 0.4465053 0.3082944 0.5475933), wk = 0.0036496 k( 148) = ( 0.4613888 0.3185709 0.5475933), wk = 0.0036496 k( 149) = ( 0.4762723 0.3288473 0.5475933), wk = 0.0036496 k( 150) = ( 0.4911558 0.3391238 0.5475933), wk = 0.0036496 k( 151) = ( 0.5000000 0.3452304 -0.0121971), wk = 0.0036496 k( 152) = ( 0.5100591 0.3306617 -0.0121971), wk = 0.0036496 k( 153) = ( 0.5201181 0.3160931 -0.0121971), wk = 0.0036496 k( 154) = ( 0.5301772 0.3015245 -0.0121971), wk = 0.0036496 k( 155) = ( 0.5402363 0.2869558 -0.0121971), wk = 0.0036496 k( 156) = ( 0.5502954 0.2723872 -0.0121971), wk = 0.0036496 k( 157) = ( 0.5603544 0.2578185 -0.0121971), wk = 0.0036496 k( 158) = ( 0.5704135 0.2432499 -0.0121971), wk = 0.0036496 k( 159) = ( 0.5804726 0.2286813 -0.0121971), wk = 0.0036496 k( 160) = ( 0.5905317 0.2141126 -0.0121971), wk = 0.0036496 k( 161) = ( 0.6005907 0.1995440 -0.0121971), wk = 0.0036496 k( 162) = ( 0.6106498 0.1849753 -0.0121971), wk = 0.0036496 k( 163) = ( 0.6207089 0.1704067 -0.0121971), wk = 0.0036496 k( 164) = ( 0.6307680 0.1558381 -0.0121971), wk = 0.0036496 k( 165) = ( 0.3692320 -0.5347618 0.0000000), wk = 0.0036496 k( 166) = ( 0.3589756 -0.5199073 0.0000000), wk = 0.0036496 k( 167) = ( 0.3487191 -0.5050528 0.0000000), wk = 0.0036496 k( 168) = ( 0.3384627 -0.4901983 0.0000000), wk = 0.0036496 k( 169) = ( 0.3282062 -0.4753438 0.0000000), wk = 0.0036496 k( 170) = ( 0.3179498 -0.4604893 0.0000000), wk = 0.0036496 k( 171) = ( 0.3076934 -0.4456348 0.0000000), wk = 0.0036496 k( 172) = ( 0.2974369 -0.4307804 0.0000000), wk = 0.0036496 k( 173) = ( 0.2871805 -0.4159258 0.0000000), wk = 0.0036496 k( 174) = ( 0.2769240 -0.4010714 0.0000000), wk = 0.0036496 k( 175) = ( 0.2666676 -0.3862169 0.0000000), wk = 0.0036496 k( 176) = ( 0.2564111 -0.3713624 0.0000000), wk = 0.0036496 k( 177) = ( 0.2461547 -0.3565079 0.0000000), wk = 0.0036496 k( 178) = ( 0.2358982 -0.3416534 0.0000000), wk = 0.0036496 k( 179) = ( 0.2256418 -0.3267989 0.0000000), wk = 0.0036496 k( 180) = ( 0.2153854 -0.3119444 0.0000000), wk = 0.0036496 k( 181) = ( 0.2051289 -0.2970899 0.0000000), wk = 0.0036496 k( 182) = ( 0.1948725 -0.2822354 0.0000000), wk = 0.0036496 k( 183) = ( 0.1846160 -0.2673809 0.0000000), wk = 0.0036496 k( 184) = ( 0.1743596 -0.2525264 0.0000000), wk = 0.0036496 k( 185) = ( 0.1641031 -0.2376719 0.0000000), wk = 0.0036496 k( 186) = ( 0.1538467 -0.2228174 0.0000000), wk = 0.0036496 k( 187) = ( 0.1435902 -0.2079629 0.0000000), wk = 0.0036496 k( 188) = ( 0.1333338 -0.1931084 0.0000000), wk = 0.0036496 k( 189) = ( 0.1230774 -0.1782539 0.0000000), wk = 0.0036496 k( 190) = ( 0.1128209 -0.1633994 0.0000000), wk = 0.0036496 k( 191) = ( 0.1025645 -0.1485449 0.0000000), wk = 0.0036496 k( 192) = ( 0.0923080 -0.1336905 0.0000000), wk = 0.0036496 k( 193) = ( 0.0820516 -0.1188360 0.0000000), wk = 0.0036496 k( 194) = ( 0.0717951 -0.1039815 0.0000000), wk = 0.0036496 k( 195) = ( 0.0615387 -0.0891270 0.0000000), wk = 0.0036496 k( 196) = ( 0.0512822 -0.0742725 0.0000000), wk = 0.0036496 k( 197) = ( 0.0410258 -0.0594180 0.0000000), wk = 0.0036496 k( 198) = ( 0.0307693 -0.0445635 0.0000000), wk = 0.0036496 k( 199) = ( 0.0205129 -0.0297090 0.0000000), wk = 0.0036496 k( 200) = ( 0.0102565 -0.0148545 0.0000000), wk = 0.0036496 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 203) = ( 0.0172414 -0.0065332 -0.0002103), wk = 0.0036496 k( 204) = ( 0.0344828 -0.0130663 -0.0004206), wk = 0.0036496 k( 205) = ( 0.0517241 -0.0195995 -0.0006309), wk = 0.0036496 k( 206) = ( 0.0689655 -0.0261327 -0.0008412), wk = 0.0036496 k( 207) = ( 0.0862069 -0.0326658 -0.0010515), wk = 0.0036496 k( 208) = ( 0.1034483 -0.0391990 -0.0012618), wk = 0.0036496 k( 209) = ( 0.1206897 -0.0457322 -0.0014721), wk = 0.0036496 k( 210) = ( 0.1379310 -0.0522653 -0.0016824), wk = 0.0036496 k( 211) = ( 0.1551724 -0.0587985 -0.0018926), wk = 0.0036496 k( 212) = ( 0.1724138 -0.0653317 -0.0021029), wk = 0.0036496 k( 213) = ( 0.1896552 -0.0718649 -0.0023132), wk = 0.0036496 k( 214) = ( 0.2068966 -0.0783980 -0.0025235), wk = 0.0036496 k( 215) = ( 0.2241379 -0.0849312 -0.0027338), wk = 0.0036496 k( 216) = ( 0.2413793 -0.0914644 -0.0029441), wk = 0.0036496 k( 217) = ( 0.2586207 -0.0979975 -0.0031544), wk = 0.0036496 k( 218) = ( 0.2758621 -0.1045307 -0.0033647), wk = 0.0036496 k( 219) = ( 0.2931034 -0.1110639 -0.0035750), wk = 0.0036496 k( 220) = ( 0.3103448 -0.1175970 -0.0037853), wk = 0.0036496 k( 221) = ( 0.3275862 -0.1241302 -0.0039956), wk = 0.0036496 k( 222) = ( 0.3448276 -0.1306634 -0.0042059), wk = 0.0036496 k( 223) = ( 0.3620690 -0.1371965 -0.0044162), wk = 0.0036496 k( 224) = ( 0.3793103 -0.1437297 -0.0046265), wk = 0.0036496 k( 225) = ( 0.3965517 -0.1502629 -0.0048368), wk = 0.0036496 k( 226) = ( 0.4137931 -0.1567960 -0.0050471), wk = 0.0036496 k( 227) = ( 0.4310345 -0.1633292 -0.0052574), wk = 0.0036496 k( 228) = ( 0.4482759 -0.1698624 -0.0054676), wk = 0.0036496 k( 229) = ( 0.4655172 -0.1763955 -0.0056779), wk = 0.0036496 k( 230) = ( 0.4827586 -0.1829287 -0.0058882), wk = 0.0036496 k( 231) = ( 0.5000000 -0.1894619 -0.0060985), wk = 0.0036496 k( 232) = ( 0.5000000 -0.1894619 0.5414948), wk = 0.0036496 k( 233) = ( 0.4880952 -0.1849509 0.5286020), wk = 0.0036496 k( 234) = ( 0.4761905 -0.1804399 0.5157093), wk = 0.0036496 k( 235) = ( 0.4642857 -0.1759289 0.5028165), wk = 0.0036496 k( 236) = ( 0.4523810 -0.1714179 0.4899238), wk = 0.0036496 k( 237) = ( 0.4404762 -0.1669069 0.4770311), wk = 0.0036496 k( 238) = ( 0.4285714 -0.1623959 0.4641384), wk = 0.0036496 k( 239) = ( 0.4166667 -0.1578849 0.4512456), wk = 0.0036496 k( 240) = ( 0.4047619 -0.1533739 0.4383529), wk = 0.0036496 k( 241) = ( 0.3928571 -0.1488629 0.4254602), wk = 0.0036496 k( 242) = ( 0.3809524 -0.1443519 0.4125674), wk = 0.0036496 k( 243) = ( 0.3690476 -0.1398409 0.3996747), wk = 0.0036496 k( 244) = ( 0.3571429 -0.1353299 0.3867820), wk = 0.0036496 k( 245) = ( 0.3452381 -0.1308189 0.3738892), wk = 0.0036496 k( 246) = ( 0.3333333 -0.1263079 0.3609965), wk = 0.0036496 k( 247) = ( 0.3214286 -0.1217969 0.3481038), wk = 0.0036496 k( 248) = ( 0.3095238 -0.1172859 0.3352110), wk = 0.0036496 k( 249) = ( 0.2976190 -0.1127749 0.3223183), wk = 0.0036496 k( 250) = ( 0.2857143 -0.1082639 0.3094256), wk = 0.0036496 k( 251) = ( 0.2738095 -0.1037529 0.2965328), wk = 0.0036496 k( 252) = ( 0.2619048 -0.0992419 0.2836401), wk = 0.0036496 k( 253) = ( 0.2500000 -0.0947309 0.2707474), wk = 0.0036496 k( 254) = ( 0.2380952 -0.0902199 0.2578546), wk = 0.0036496 k( 255) = ( 0.2261905 -0.0857089 0.2449619), wk = 0.0036496 k( 256) = ( 0.2142857 -0.0811979 0.2320692), wk = 0.0036496 k( 257) = ( 0.2023810 -0.0766870 0.2191764), wk = 0.0036496 k( 258) = ( 0.1904762 -0.0721760 0.2062837), wk = 0.0036496 k( 259) = ( 0.1785714 -0.0676650 0.1933910), wk = 0.0036496 k( 260) = ( 0.1666667 -0.0631540 0.1804983), wk = 0.0036496 k( 261) = ( 0.1547619 -0.0586430 0.1676055), wk = 0.0036496 k( 262) = ( 0.1428571 -0.0541320 0.1547128), wk = 0.0036496 k( 263) = ( 0.1309524 -0.0496210 0.1418201), wk = 0.0036496 k( 264) = ( 0.1190476 -0.0451100 0.1289273), wk = 0.0036496 k( 265) = ( 0.1071429 -0.0405990 0.1160346), wk = 0.0036496 k( 266) = ( 0.0952381 -0.0360880 0.1031419), wk = 0.0036496 k( 267) = ( 0.0833333 -0.0315770 0.0902491), wk = 0.0036496 k( 268) = ( 0.0714286 -0.0270660 0.0773564), wk = 0.0036496 k( 269) = ( 0.0595238 -0.0225550 0.0644637), wk = 0.0036496 k( 270) = ( 0.0476191 -0.0180440 0.0515709), wk = 0.0036496 k( 271) = ( 0.0357143 -0.0135330 0.0386782), wk = 0.0036496 k( 272) = ( 0.0238095 -0.0090220 0.0257855), wk = 0.0036496 k( 273) = ( 0.0119048 -0.0045110 0.0128927), wk = 0.0036496 k( 274) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0036496 k( 3) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0036496 k( 4) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0036496 k( 5) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0036496 k( 6) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0036496 k( 7) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0036496 k( 8) = ( 0.1060606 0.1060606 0.0000000), wk = 0.0036496 k( 9) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0036496 k( 10) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0036496 k( 11) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0036496 k( 12) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0036496 k( 13) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0036496 k( 14) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0036496 k( 15) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0036496 k( 16) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0036496 k( 17) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0036496 k( 18) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0036496 k( 19) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0036496 k( 20) = ( 0.2878788 0.2878788 -0.0000000), wk = 0.0036496 k( 21) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0036496 k( 22) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0036496 k( 23) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036496 k( 24) = ( 0.3484849 0.3484849 0.0000000), wk = 0.0036496 k( 25) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0036496 k( 26) = ( 0.3787879 0.3787879 0.0000000), wk = 0.0036496 k( 27) = ( 0.3939394 0.3939394 -0.0000000), wk = 0.0036496 k( 28) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0036496 k( 29) = ( 0.4242424 0.4242424 0.0000000), wk = 0.0036496 k( 30) = ( 0.4393939 0.4393939 -0.0000000), wk = 0.0036496 k( 31) = ( 0.4545455 0.4545455 -0.0000000), wk = 0.0036496 k( 32) = ( 0.4696970 0.4696970 -0.0000000), wk = 0.0036496 k( 33) = ( 0.4848485 0.4848485 -0.0000000), wk = 0.0036496 k( 34) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036496 k( 35) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036496 k( 36) = ( 0.5003050 0.5003050 0.0168641), wk = 0.0036496 k( 37) = ( 0.5006099 0.5006099 0.0337283), wk = 0.0036496 k( 38) = ( 0.5009149 0.5009149 0.0505924), wk = 0.0036496 k( 39) = ( 0.5012199 0.5012199 0.0674566), wk = 0.0036496 k( 40) = ( 0.5015249 0.5015249 0.0843207), wk = 0.0036496 k( 41) = ( 0.5018298 0.5018298 0.1011848), wk = 0.0036496 k( 42) = ( 0.5021348 0.5021348 0.1180490), wk = 0.0036496 k( 43) = ( 0.5024398 0.5024398 0.1349131), wk = 0.0036496 k( 44) = ( 0.5027447 0.5027447 0.1517773), wk = 0.0036496 k( 45) = ( 0.5030497 0.5030497 0.1686414), wk = 0.0036496 k( 46) = ( 0.5033547 0.5033547 0.1855055), wk = 0.0036496 k( 47) = ( 0.5036597 0.5036597 0.2023697), wk = 0.0036496 k( 48) = ( 0.5039646 0.5039646 0.2192338), wk = 0.0036496 k( 49) = ( 0.5042696 0.5042696 0.2360980), wk = 0.0036496 k( 50) = ( 0.5045746 0.5045746 0.2529621), wk = 0.0036496 k( 51) = ( 0.5048795 0.5048795 0.2698262), wk = 0.0036496 k( 52) = ( 0.5051845 0.5051845 0.2866904), wk = 0.0036496 k( 53) = ( 0.5054895 0.5054895 0.3035545), wk = 0.0036496 k( 54) = ( 0.5057945 0.5057945 0.3204186), wk = 0.0036496 k( 55) = ( 0.5060994 0.5060994 0.3372828), wk = 0.0036496 k( 56) = ( 0.5064044 0.5064044 0.3541469), wk = 0.0036496 k( 57) = ( 0.5067094 0.5067094 0.3710111), wk = 0.0036496 k( 58) = ( 0.5070143 0.5070143 0.3878752), wk = 0.0036496 k( 59) = ( 0.5073193 0.5073193 0.4047393), wk = 0.0036496 k( 60) = ( 0.5076243 0.5076243 0.4216035), wk = 0.0036496 k( 61) = ( 0.5079293 0.5079293 0.4384676), wk = 0.0036496 k( 62) = ( 0.5082342 0.5082342 0.4553318), wk = 0.0036496 k( 63) = ( 0.5085392 0.5085392 0.4721959), wk = 0.0036496 k( 64) = ( 0.5088442 0.5088442 0.4890600), wk = 0.0036496 k( 65) = ( 0.5088442 0.5088442 0.4890600), wk = 0.0036496 k( 66) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036496 k( 67) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036496 k( 68) = ( 0.5103908 0.4896092 0.5000000), wk = 0.0036496 k( 69) = ( 0.5207816 0.4792184 0.5000000), wk = 0.0036496 k( 70) = ( 0.5311724 0.4688276 0.5000000), wk = 0.0036496 k( 71) = ( 0.5415632 0.4584368 0.5000000), wk = 0.0036496 k( 72) = ( 0.5519540 0.4480460 0.5000000), wk = 0.0036496 k( 73) = ( 0.5623448 0.4376552 0.5000000), wk = 0.0036496 k( 74) = ( 0.5727356 0.4272644 0.5000000), wk = 0.0036496 k( 75) = ( 0.5831264 0.4168736 0.5000000), wk = 0.0036496 k( 76) = ( 0.5935172 0.4064828 0.5000000), wk = 0.0036496 k( 77) = ( 0.6039080 0.3960920 0.5000000), wk = 0.0036496 k( 78) = ( 0.6142988 0.3857012 0.5000000), wk = 0.0036496 k( 79) = ( 0.6246896 0.3753104 0.5000000), wk = 0.0036496 k( 80) = ( 0.6350804 0.3649196 0.5000000), wk = 0.0036496 k( 81) = ( 0.3649196 -0.3649196 0.5000000), wk = 0.0036496 k( 82) = ( 0.3544934 -0.3544934 0.5000000), wk = 0.0036496 k( 83) = ( 0.3440671 -0.3440671 0.5000000), wk = 0.0036496 k( 84) = ( 0.3336408 -0.3336408 0.5000000), wk = 0.0036496 k( 85) = ( 0.3232145 -0.3232145 0.5000000), wk = 0.0036496 k( 86) = ( 0.3127883 -0.3127883 0.5000000), wk = 0.0036496 k( 87) = ( 0.3023620 -0.3023620 0.5000000), wk = 0.0036496 k( 88) = ( 0.2919357 -0.2919357 0.5000000), wk = 0.0036496 k( 89) = ( 0.2815094 -0.2815094 0.5000000), wk = 0.0036496 k( 90) = ( 0.2710832 -0.2710832 0.5000000), wk = 0.0036496 k( 91) = ( 0.2606569 -0.2606569 0.5000000), wk = 0.0036496 k( 92) = ( 0.2502306 -0.2502306 0.5000000), wk = 0.0036496 k( 93) = ( 0.2398043 -0.2398043 0.5000000), wk = 0.0036496 k( 94) = ( 0.2293781 -0.2293781 0.5000000), wk = 0.0036496 k( 95) = ( 0.2189518 -0.2189518 0.5000000), wk = 0.0036496 k( 96) = ( 0.2085255 -0.2085255 0.5000000), wk = 0.0036496 k( 97) = ( 0.1980992 -0.1980992 0.5000000), wk = 0.0036496 k( 98) = ( 0.1876730 -0.1876730 0.5000000), wk = 0.0036496 k( 99) = ( 0.1772467 -0.1772467 0.5000000), wk = 0.0036496 k( 100) = ( 0.1668204 -0.1668204 0.5000000), wk = 0.0036496 k( 101) = ( 0.1563941 -0.1563941 0.5000000), wk = 0.0036496 k( 102) = ( 0.1459679 -0.1459679 0.5000000), wk = 0.0036496 k( 103) = ( 0.1355416 -0.1355416 0.5000000), wk = 0.0036496 k( 104) = ( 0.1251153 -0.1251153 0.5000000), wk = 0.0036496 k( 105) = ( 0.1146890 -0.1146890 0.5000000), wk = 0.0036496 k( 106) = ( 0.1042628 -0.1042628 0.5000000), wk = 0.0036496 k( 107) = ( 0.0938365 -0.0938365 0.5000000), wk = 0.0036496 k( 108) = ( 0.0834102 -0.0834102 0.5000000), wk = 0.0036496 k( 109) = ( 0.0729839 -0.0729839 0.5000000), wk = 0.0036496 k( 110) = ( 0.0625577 -0.0625577 0.5000000), wk = 0.0036496 k( 111) = ( 0.0521314 -0.0521314 0.5000000), wk = 0.0036496 k( 112) = ( 0.0417051 -0.0417051 0.5000000), wk = 0.0036496 k( 113) = ( 0.0312788 -0.0312788 0.5000000), wk = 0.0036496 k( 114) = ( 0.0208526 -0.0208526 0.5000000), wk = 0.0036496 k( 115) = ( 0.0104263 -0.0104263 0.5000000), wk = 0.0036496 k( 116) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 117) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 118) = ( 0.0148835 0.0148835 0.5003315), wk = 0.0036496 k( 119) = ( 0.0297670 0.0297670 0.5006630), wk = 0.0036496 k( 120) = ( 0.0446505 0.0446505 0.5009945), wk = 0.0036496 k( 121) = ( 0.0595340 0.0595340 0.5013261), wk = 0.0036496 k( 122) = ( 0.0744175 0.0744175 0.5016576), wk = 0.0036496 k( 123) = ( 0.0893011 0.0893011 0.5019891), wk = 0.0036496 k( 124) = ( 0.1041846 0.1041846 0.5023206), wk = 0.0036496 k( 125) = ( 0.1190681 0.1190681 0.5026521), wk = 0.0036496 k( 126) = ( 0.1339516 0.1339516 0.5029836), wk = 0.0036496 k( 127) = ( 0.1488351 0.1488351 0.5033151), wk = 0.0036496 k( 128) = ( 0.1637186 0.1637186 0.5036467), wk = 0.0036496 k( 129) = ( 0.1786021 0.1786021 0.5039782), wk = 0.0036496 k( 130) = ( 0.1934856 0.1934856 0.5043097), wk = 0.0036496 k( 131) = ( 0.2083691 0.2083691 0.5046412), wk = 0.0036496 k( 132) = ( 0.2232526 0.2232526 0.5049727), wk = 0.0036496 k( 133) = ( 0.2381362 0.2381362 0.5053042), wk = 0.0036496 k( 134) = ( 0.2530197 0.2530197 0.5056357), wk = 0.0036496 k( 135) = ( 0.2679032 0.2679032 0.5059673), wk = 0.0036496 k( 136) = ( 0.2827867 0.2827867 0.5062988), wk = 0.0036496 k( 137) = ( 0.2976702 0.2976702 0.5066303), wk = 0.0036496 k( 138) = ( 0.3125537 0.3125537 0.5069618), wk = 0.0036496 k( 139) = ( 0.3274372 0.3274372 0.5072933), wk = 0.0036496 k( 140) = ( 0.3423207 0.3423207 0.5076248), wk = 0.0036496 k( 141) = ( 0.3572042 0.3572042 0.5079563), wk = 0.0036496 k( 142) = ( 0.3720877 0.3720877 0.5082879), wk = 0.0036496 k( 143) = ( 0.3869712 0.3869712 0.5086194), wk = 0.0036496 k( 144) = ( 0.4018548 0.4018548 0.5089509), wk = 0.0036496 k( 145) = ( 0.4167383 0.4167383 0.5092824), wk = 0.0036496 k( 146) = ( 0.4316218 0.4316218 0.5096139), wk = 0.0036496 k( 147) = ( 0.4465053 0.4465053 0.5099454), wk = 0.0036496 k( 148) = ( 0.4613888 0.4613888 0.5102769), wk = 0.0036496 k( 149) = ( 0.4762723 0.4762723 0.5106085), wk = 0.0036496 k( 150) = ( 0.4911558 0.4911558 0.5109400), wk = 0.0036496 k( 151) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036496 k( 152) = ( 0.5100591 0.4899409 0.0000000), wk = 0.0036496 k( 153) = ( 0.5201181 0.4798818 0.0000000), wk = 0.0036496 k( 154) = ( 0.5301772 0.4698228 -0.0000000), wk = 0.0036496 k( 155) = ( 0.5402363 0.4597637 -0.0000000), wk = 0.0036496 k( 156) = ( 0.5502954 0.4497046 0.0000000), wk = 0.0036496 k( 157) = ( 0.5603544 0.4396455 -0.0000000), wk = 0.0036496 k( 158) = ( 0.5704135 0.4295865 -0.0000000), wk = 0.0036496 k( 159) = ( 0.5804726 0.4195274 -0.0000000), wk = 0.0036496 k( 160) = ( 0.5905317 0.4094683 -0.0000000), wk = 0.0036496 k( 161) = ( 0.6005907 0.3994093 0.0000000), wk = 0.0036496 k( 162) = ( 0.6106498 0.3893502 -0.0000000), wk = 0.0036496 k( 163) = ( 0.6207089 0.3792911 -0.0000000), wk = 0.0036496 k( 164) = ( 0.6307680 0.3692320 -0.0000000), wk = 0.0036496 k( 165) = ( 0.3692320 -0.3692320 0.0000000), wk = 0.0036496 k( 166) = ( 0.3589756 -0.3589756 -0.0000000), wk = 0.0036496 k( 167) = ( 0.3487191 -0.3487191 -0.0000000), wk = 0.0036496 k( 168) = ( 0.3384627 -0.3384627 -0.0000000), wk = 0.0036496 k( 169) = ( 0.3282062 -0.3282062 0.0000000), wk = 0.0036496 k( 170) = ( 0.3179498 -0.3179498 0.0000000), wk = 0.0036496 k( 171) = ( 0.3076934 -0.3076934 -0.0000000), wk = 0.0036496 k( 172) = ( 0.2974369 -0.2974369 0.0000000), wk = 0.0036496 k( 173) = ( 0.2871805 -0.2871805 0.0000000), wk = 0.0036496 k( 174) = ( 0.2769240 -0.2769240 0.0000000), wk = 0.0036496 k( 175) = ( 0.2666676 -0.2666676 0.0000000), wk = 0.0036496 k( 176) = ( 0.2564111 -0.2564111 0.0000000), wk = 0.0036496 k( 177) = ( 0.2461547 -0.2461547 -0.0000000), wk = 0.0036496 k( 178) = ( 0.2358982 -0.2358982 0.0000000), wk = 0.0036496 k( 179) = ( 0.2256418 -0.2256418 -0.0000000), wk = 0.0036496 k( 180) = ( 0.2153854 -0.2153853 -0.0000000), wk = 0.0036496 k( 181) = ( 0.2051289 -0.2051289 0.0000000), wk = 0.0036496 k( 182) = ( 0.1948725 -0.1948725 0.0000000), wk = 0.0036496 k( 183) = ( 0.1846160 -0.1846160 0.0000000), wk = 0.0036496 k( 184) = ( 0.1743596 -0.1743596 -0.0000000), wk = 0.0036496 k( 185) = ( 0.1641031 -0.1641031 -0.0000000), wk = 0.0036496 k( 186) = ( 0.1538467 -0.1538467 -0.0000000), wk = 0.0036496 k( 187) = ( 0.1435902 -0.1435902 0.0000000), wk = 0.0036496 k( 188) = ( 0.1333338 -0.1333338 0.0000000), wk = 0.0036496 k( 189) = ( 0.1230774 -0.1230773 0.0000000), wk = 0.0036496 k( 190) = ( 0.1128209 -0.1128209 -0.0000000), wk = 0.0036496 k( 191) = ( 0.1025645 -0.1025645 0.0000000), wk = 0.0036496 k( 192) = ( 0.0923080 -0.0923080 0.0000000), wk = 0.0036496 k( 193) = ( 0.0820516 -0.0820516 0.0000000), wk = 0.0036496 k( 194) = ( 0.0717951 -0.0717951 0.0000000), wk = 0.0036496 k( 195) = ( 0.0615387 -0.0615387 0.0000000), wk = 0.0036496 k( 196) = ( 0.0512822 -0.0512822 0.0000000), wk = 0.0036496 k( 197) = ( 0.0410258 -0.0410258 0.0000000), wk = 0.0036496 k( 198) = ( 0.0307693 -0.0307693 0.0000000), wk = 0.0036496 k( 199) = ( 0.0205129 -0.0205129 0.0000000), wk = 0.0036496 k( 200) = ( 0.0102565 -0.0102565 -0.0000000), wk = 0.0036496 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 203) = ( 0.0172414 0.0000000 0.0000000), wk = 0.0036496 k( 204) = ( 0.0344828 0.0000000 0.0000000), wk = 0.0036496 k( 205) = ( 0.0517241 0.0000000 0.0000000), wk = 0.0036496 k( 206) = ( 0.0689655 0.0000000 0.0000000), wk = 0.0036496 k( 207) = ( 0.0862069 0.0000000 0.0000000), wk = 0.0036496 k( 208) = ( 0.1034483 0.0000000 0.0000000), wk = 0.0036496 k( 209) = ( 0.1206897 0.0000000 -0.0000000), wk = 0.0036496 k( 210) = ( 0.1379310 -0.0000000 -0.0000000), wk = 0.0036496 k( 211) = ( 0.1551724 -0.0000000 -0.0000000), wk = 0.0036496 k( 212) = ( 0.1724138 -0.0000000 -0.0000000), wk = 0.0036496 k( 213) = ( 0.1896552 -0.0000000 0.0000000), wk = 0.0036496 k( 214) = ( 0.2068966 -0.0000000 0.0000000), wk = 0.0036496 k( 215) = ( 0.2241379 -0.0000000 -0.0000000), wk = 0.0036496 k( 216) = ( 0.2413793 -0.0000000 -0.0000000), wk = 0.0036496 k( 217) = ( 0.2586207 -0.0000000 -0.0000000), wk = 0.0036496 k( 218) = ( 0.2758621 0.0000000 0.0000000), wk = 0.0036496 k( 219) = ( 0.2931034 -0.0000000 -0.0000000), wk = 0.0036496 k( 220) = ( 0.3103448 -0.0000000 -0.0000000), wk = 0.0036496 k( 221) = ( 0.3275862 0.0000000 -0.0000000), wk = 0.0036496 k( 222) = ( 0.3448276 -0.0000000 -0.0000000), wk = 0.0036496 k( 223) = ( 0.3620690 -0.0000000 -0.0000000), wk = 0.0036496 k( 224) = ( 0.3793103 -0.0000000 0.0000000), wk = 0.0036496 k( 225) = ( 0.3965517 0.0000000 0.0000000), wk = 0.0036496 k( 226) = ( 0.4137931 -0.0000000 0.0000000), wk = 0.0036496 k( 227) = ( 0.4310345 0.0000000 -0.0000000), wk = 0.0036496 k( 228) = ( 0.4482759 -0.0000000 -0.0000000), wk = 0.0036496 k( 229) = ( 0.4655172 0.0000000 -0.0000000), wk = 0.0036496 k( 230) = ( 0.4827586 -0.0000000 -0.0000000), wk = 0.0036496 k( 231) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036496 k( 232) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036496 k( 233) = ( 0.4880952 -0.0000000 0.4880952), wk = 0.0036496 k( 234) = ( 0.4761905 0.0000000 0.4761905), wk = 0.0036496 k( 235) = ( 0.4642857 0.0000000 0.4642857), wk = 0.0036496 k( 236) = ( 0.4523810 -0.0000000 0.4523810), wk = 0.0036496 k( 237) = ( 0.4404762 -0.0000000 0.4404762), wk = 0.0036496 k( 238) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0036496 k( 239) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0036496 k( 240) = ( 0.4047619 -0.0000000 0.4047619), wk = 0.0036496 k( 241) = ( 0.3928571 0.0000000 0.3928571), wk = 0.0036496 k( 242) = ( 0.3809524 0.0000000 0.3809524), wk = 0.0036496 k( 243) = ( 0.3690476 -0.0000000 0.3690476), wk = 0.0036496 k( 244) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0036496 k( 245) = ( 0.3452381 0.0000000 0.3452381), wk = 0.0036496 k( 246) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0036496 k( 247) = ( 0.3214286 -0.0000000 0.3214286), wk = 0.0036496 k( 248) = ( 0.3095238 -0.0000000 0.3095238), wk = 0.0036496 k( 249) = ( 0.2976190 -0.0000000 0.2976191), wk = 0.0036496 k( 250) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0036496 k( 251) = ( 0.2738095 -0.0000000 0.2738095), wk = 0.0036496 k( 252) = ( 0.2619048 -0.0000000 0.2619048), wk = 0.0036496 k( 253) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0036496 k( 254) = ( 0.2380952 0.0000000 0.2380952), wk = 0.0036496 k( 255) = ( 0.2261905 -0.0000000 0.2261905), wk = 0.0036496 k( 256) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0036496 k( 257) = ( 0.2023810 -0.0000000 0.2023810), wk = 0.0036496 k( 258) = ( 0.1904762 0.0000000 0.1904762), wk = 0.0036496 k( 259) = ( 0.1785714 -0.0000000 0.1785714), wk = 0.0036496 k( 260) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0036496 k( 261) = ( 0.1547619 -0.0000000 0.1547619), wk = 0.0036496 k( 262) = ( 0.1428571 -0.0000000 0.1428571), wk = 0.0036496 k( 263) = ( 0.1309524 -0.0000000 0.1309524), wk = 0.0036496 k( 264) = ( 0.1190476 0.0000000 0.1190476), wk = 0.0036496 k( 265) = ( 0.1071429 0.0000000 0.1071429), wk = 0.0036496 k( 266) = ( 0.0952381 -0.0000000 0.0952381), wk = 0.0036496 k( 267) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0036496 k( 268) = ( 0.0714286 -0.0000000 0.0714286), wk = 0.0036496 k( 269) = ( 0.0595238 0.0000000 0.0595238), wk = 0.0036496 k( 270) = ( 0.0476191 -0.0000000 0.0476191), wk = 0.0036496 k( 271) = ( 0.0357143 0.0000000 0.0357143), wk = 0.0036496 k( 272) = ( 0.0238095 -0.0000000 0.0238095), wk = 0.0036496 k( 273) = ( 0.0119048 -0.0000000 0.0119048), wk = 0.0036496 k( 274) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 Dense grid: 109531 G-vectors FFT dimensions: ( 64, 64, 60) Smooth grid: 53799 G-vectors FFT dimensions: ( 50, 50, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.44 Mb ( 378, 76) NL pseudopotentials 0.52 Mb ( 189, 180) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 3043) G-vector shells 0.02 Mb ( 3002) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.75 Mb ( 378, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.42 Mb ( 180, 2, 76) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./AsS2NF6.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 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 5.8 secs Computing kpt #: 5 total cpu time spent up to now is 6.7 secs Computing kpt #: 6 total cpu time spent up to now is 7.5 secs Computing kpt #: 7 total cpu time spent up to now is 8.4 secs Computing kpt #: 8 total cpu time spent up to now is 9.2 secs Computing kpt #: 9 total cpu time spent up to now is 10.1 secs Computing kpt #: 10 total cpu time spent up to now is 11.0 secs Computing kpt #: 11 total cpu time spent up to now is 11.9 secs Computing kpt #: 12 total cpu time spent up to now is 12.8 secs Computing kpt #: 13 total cpu time spent up to now is 13.7 secs Computing kpt #: 14 total cpu time spent up to now is 14.6 secs Computing kpt #: 15 total cpu time spent up to now is 15.5 secs Computing kpt #: 16 total cpu time spent up to now is 16.4 secs Computing kpt #: 17 total cpu time spent up to now is 17.3 secs Computing kpt #: 18 total cpu time spent up to now is 18.2 secs Computing kpt #: 19 total cpu time spent up to now is 19.1 secs Computing kpt #: 20 total cpu time spent up to now is 20.1 secs Computing kpt #: 21 total cpu time spent up to now is 21.2 secs Computing kpt #: 22 total cpu time spent up to now is 22.2 secs Computing kpt #: 23 total cpu time spent up to now is 23.2 secs Computing kpt #: 24 total cpu time spent up to now is 24.3 secs Computing kpt #: 25 total cpu time spent up to now is 25.3 secs Computing kpt #: 26 total cpu time spent up to now is 26.3 secs Computing kpt #: 27 total cpu time spent up to now is 27.4 secs Computing kpt #: 28 total cpu time spent up to now is 28.4 secs Computing kpt #: 29 total cpu time spent up to now is 29.5 secs Computing kpt #: 30 total cpu time spent up to now is 30.5 secs Computing kpt #: 31 total cpu time spent up to now is 31.5 secs Computing kpt #: 32 total cpu time spent up to now is 32.6 secs Computing kpt #: 33 total cpu time spent up to now is 33.6 secs Computing kpt #: 34 total cpu time spent up to now is 34.7 secs Computing kpt #: 35 total cpu time spent up to now is 35.7 secs Computing kpt #: 36 total cpu time spent up to now is 36.7 secs Computing kpt #: 37 total cpu time spent up to now is 37.8 secs Computing kpt #: 38 total cpu time spent up to now is 38.8 secs Computing kpt #: 39 total cpu time spent up to now is 39.9 secs Computing kpt #: 40 total cpu time spent up to now is 40.9 secs Computing kpt #: 41 total cpu time spent up to now is 42.0 secs Computing kpt #: 42 total cpu time spent up to now is 43.0 secs Computing kpt #: 43 total cpu time spent up to now is 44.3 secs Computing kpt #: 44 total cpu time spent up to now is 45.6 secs Computing kpt #: 45 total cpu time spent up to now is 46.6 secs Computing kpt #: 46 total cpu time spent up to now is 47.7 secs Computing kpt #: 47 total cpu time spent up to now is 48.8 secs Computing kpt #: 48 total cpu time spent up to now is 49.8 secs Computing kpt #: 49 total cpu time spent up to now is 50.8 secs Computing kpt #: 50 total cpu time spent up to now is 51.9 secs Computing kpt #: 51 total cpu time spent up to now is 52.9 secs Computing kpt #: 52 total cpu time spent up to now is 54.0 secs Computing kpt #: 53 total cpu time spent up to now is 55.0 secs Computing kpt #: 54 total cpu time spent up to now is 56.0 secs Computing kpt #: 55 total cpu time spent up to now is 57.1 secs Computing kpt #: 56 total cpu time spent up to now is 58.1 secs Computing kpt #: 57 total cpu time spent up to now is 59.1 secs Computing kpt #: 58 total cpu time spent up to now is 60.2 secs Computing kpt #: 59 total cpu time spent up to now is 61.2 secs Computing kpt #: 60 total cpu time spent up to now is 62.3 secs Computing kpt #: 61 total cpu time spent up to now is 63.3 secs Computing kpt #: 62 total cpu time spent up to now is 64.4 secs Computing kpt #: 63 total cpu time spent up to now is 65.4 secs Computing kpt #: 64 total cpu time spent up to now is 66.4 secs Computing kpt #: 65 total cpu time spent up to now is 67.5 secs Computing kpt #: 66 total cpu time spent up to now is 68.5 secs Computing kpt #: 67 total cpu time spent up to now is 69.6 secs Computing kpt #: 68 total cpu time spent up to now is 70.6 secs Computing kpt #: 69 total cpu time spent up to now is 71.6 secs Computing kpt #: 70 total cpu time spent up to now is 72.7 secs Computing kpt #: 71 total cpu time spent up to now is 73.7 secs Computing kpt #: 72 total cpu time spent up to now is 74.8 secs Computing kpt #: 73 total cpu time spent up to now is 75.8 secs Computing kpt #: 74 total cpu time spent up to now is 76.9 secs Computing kpt #: 75 total cpu time spent up to now is 77.9 secs Computing kpt #: 76 total cpu time spent up to now is 79.0 secs Computing kpt #: 77 total cpu time spent up to now is 80.1 secs Computing kpt #: 78 total cpu time spent up to now is 81.1 secs Computing kpt #: 79 total cpu time spent up to now is 82.2 secs Computing kpt #: 80 total cpu time spent up to now is 83.3 secs Computing kpt #: 81 total cpu time spent up to now is 84.4 secs Computing kpt #: 82 total cpu time spent up to now is 85.5 secs Computing kpt #: 83 total cpu time spent up to now is 86.7 secs Computing kpt #: 84 total cpu time spent up to now is 87.8 secs Computing kpt #: 85 total cpu time spent up to now is 89.4 secs Computing kpt #: 86 total cpu time spent up to now is 91.6 secs Computing kpt #: 87 total cpu time spent up to now is 93.3 secs Computing kpt #: 88 total cpu time spent up to now is 94.6 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 97.3 secs Computing kpt #: 90 total cpu time spent up to now is 98.6 secs Computing kpt #: 91 total cpu time spent up to now is 99.7 secs Computing kpt #: 92 total cpu time spent up to now is 100.7 secs Computing kpt #: 93 total cpu time spent up to now is 101.7 secs Computing kpt #: 94 total cpu time spent up to now is 102.7 secs Computing kpt #: 95 total cpu time spent up to now is 103.6 secs Computing kpt #: 96 total cpu time spent up to now is 104.5 secs Computing kpt #: 97 total cpu time spent up to now is 105.4 secs Computing kpt #: 98 total cpu time spent up to now is 106.2 secs Computing kpt #: 99 total cpu time spent up to now is 107.1 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 110.6 secs Computing kpt #: 102 total cpu time spent up to now is 111.5 secs Computing kpt #: 103 total cpu time spent up to now is 112.3 secs Computing kpt #: 104 total cpu time spent up to now is 113.2 secs Computing kpt #: 105 total cpu time spent up to now is 114.0 secs Computing kpt #: 106 total cpu time spent up to now is 114.9 secs Computing kpt #: 107 total cpu time spent up to now is 115.7 secs Computing kpt #: 108 total cpu time spent up to now is 116.6 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 118.3 secs Computing kpt #: 111 total cpu time spent up to now is 119.2 secs Computing kpt #: 112 total cpu time spent up to now is 120.0 secs Computing kpt #: 113 total cpu time spent up to now is 120.8 secs Computing kpt #: 114 total cpu time spent up to now is 121.6 secs Computing kpt #: 115 total cpu time spent up to now is 122.5 secs Computing kpt #: 116 total cpu time spent up to now is 123.3 secs Computing kpt #: 117 total cpu time spent up to now is 124.1 secs Computing kpt #: 118 total cpu time spent up to now is 125.0 secs Computing kpt #: 119 total cpu time spent up to now is 125.8 secs Computing kpt #: 120 total cpu time spent up to now is 126.7 secs Computing kpt #: 121 total cpu time spent up to now is 127.5 secs Computing kpt #: 122 total cpu time spent up to now is 128.3 secs Computing kpt #: 123 total cpu time spent up to now is 129.2 secs Computing kpt #: 124 total cpu time spent up to now is 130.0 secs Computing kpt #: 125 total cpu time spent up to now is 130.9 secs Computing kpt #: 126 total cpu time spent up to now is 131.7 secs Computing kpt #: 127 total cpu time spent up to now is 132.6 secs Computing kpt #: 128 total cpu time spent up to now is 133.4 secs Computing kpt #: 129 total cpu time spent up to now is 134.3 secs Computing kpt #: 130 total cpu time spent up to now is 135.1 secs Computing kpt #: 131 total cpu time spent up to now is 136.0 secs Computing kpt #: 132 total cpu time spent up to now is 136.8 secs Computing kpt #: 133 total cpu time spent up to now is 137.7 secs Computing kpt #: 134 total cpu time spent up to now is 138.5 secs Computing kpt #: 135 total cpu time spent up to now is 139.4 secs Computing kpt #: 136 total cpu time spent up to now is 140.3 secs Computing kpt #: 137 total cpu time spent up to now is 141.2 secs Computing kpt #: 138 total cpu time spent up to now is 142.1 secs Computing kpt #: 139 total cpu time spent up to now is 143.4 secs Computing kpt #: 140 total cpu time spent up to now is 144.5 secs Computing kpt #: 141 total cpu time spent up to now is 145.5 secs Computing kpt #: 142 total cpu time spent up to now is 146.5 secs Computing kpt #: 143 total cpu time spent up to now is 147.6 secs Computing kpt #: 144 total cpu time spent up to now is 148.6 secs Computing kpt #: 145 total cpu time spent up to now is 149.7 secs Computing kpt #: 146 total cpu time spent up to now is 150.7 secs Computing kpt #: 147 total cpu time spent up to now is 151.8 secs Computing kpt #: 148 total cpu time spent up to now is 152.8 secs Computing kpt #: 149 total cpu time spent up to now is 153.9 secs Computing kpt #: 150 total cpu time spent up to now is 154.9 secs Computing kpt #: 151 total cpu time spent up to now is 155.9 secs Computing kpt #: 152 total cpu time spent up to now is 157.0 secs Computing kpt #: 153 total cpu time spent up to now is 158.0 secs Computing kpt #: 154 total cpu time spent up to now is 159.0 secs Computing kpt #: 155 total cpu time spent up to now is 160.0 secs Computing kpt #: 156 total cpu time spent up to now is 161.1 secs Computing kpt #: 157 total cpu time spent up to now is 162.1 secs Computing kpt #: 158 total cpu time spent up to now is 163.2 secs Computing kpt #: 159 total cpu time spent up to now is 164.2 secs Computing kpt #: 160 total cpu time spent up to now is 165.2 secs Computing kpt #: 161 total cpu time spent up to now is 166.3 secs Computing kpt #: 162 total cpu time spent up to now is 167.3 secs Computing kpt #: 163 total cpu time spent up to now is 168.3 secs Computing kpt #: 164 total cpu time spent up to now is 169.3 secs Computing kpt #: 165 total cpu time spent up to now is 170.4 secs Computing kpt #: 166 total cpu time spent up to now is 171.4 secs Computing kpt #: 167 total cpu time spent up to now is 172.3 secs Computing kpt #: 168 total cpu time spent up to now is 173.2 secs Computing kpt #: 169 total cpu time spent up to now is 174.0 secs Computing kpt #: 170 total cpu time spent up to now is 174.9 secs Computing kpt #: 171 total cpu time spent up to now is 175.8 secs Computing kpt #: 172 total cpu time spent up to now is 176.6 secs Computing kpt #: 173 total cpu time spent up to now is 177.5 secs Computing kpt #: 174 total cpu time spent up to now is 178.4 secs Computing kpt #: 175 total cpu time spent up to now is 179.3 secs Computing kpt #: 176 total cpu time spent up to now is 180.1 secs Computing kpt #: 177 total cpu time spent up to now is 181.0 secs Computing kpt #: 178 total cpu time spent up to now is 181.9 secs Computing kpt #: 179 total cpu time spent up to now is 182.8 secs Computing kpt #: 180 total cpu time spent up to now is 183.6 secs Computing kpt #: 181 total cpu time spent up to now is 184.5 secs Computing kpt #: 182 total cpu time spent up to now is 185.4 secs Computing kpt #: 183 total cpu time spent up to now is 186.2 secs Computing kpt #: 184 total cpu time spent up to now is 187.1 secs Computing kpt #: 185 total cpu time spent up to now is 188.0 secs Computing kpt #: 186 total cpu time spent up to now is 188.8 secs Computing kpt #: 187 total cpu time spent up to now is 189.7 secs Computing kpt #: 188 total cpu time spent up to now is 190.6 secs Computing kpt #: 189 total cpu time spent up to now is 191.4 secs Computing kpt #: 190 total cpu time spent up to now is 192.3 secs Computing kpt #: 191 total cpu time spent up to now is 193.2 secs Computing kpt #: 192 total cpu time spent up to now is 194.0 secs Computing kpt #: 193 total cpu time spent up to now is 194.9 secs Computing kpt #: 194 total cpu time spent up to now is 195.8 secs Computing kpt #: 195 total cpu time spent up to now is 196.6 secs Computing kpt #: 196 total cpu time spent up to now is 197.5 secs Computing kpt #: 197 total cpu time spent up to now is 198.3 secs Computing kpt #: 198 total cpu time spent up to now is 199.2 secs Computing kpt #: 199 total cpu time spent up to now is 200.1 secs Computing kpt #: 200 total cpu time spent up to now is 200.9 secs Computing kpt #: 201 total cpu time spent up to now is 201.7 secs Computing kpt #: 202 total cpu time spent up to now is 202.6 secs Computing kpt #: 203 total cpu time spent up to now is 203.5 secs Computing kpt #: 204 total cpu time spent up to now is 204.3 secs Computing kpt #: 205 total cpu time spent up to now is 205.2 secs Computing kpt #: 206 total cpu time spent up to now is 206.0 secs Computing kpt #: 207 total cpu time spent up to now is 206.9 secs Computing kpt #: 208 total cpu time spent up to now is 207.8 secs Computing kpt #: 209 total cpu time spent up to now is 208.6 secs Computing kpt #: 210 total cpu time spent up to now is 209.5 secs Computing kpt #: 211 total cpu time spent up to now is 210.4 secs Computing kpt #: 212 total cpu time spent up to now is 211.3 secs Computing kpt #: 213 total cpu time spent up to now is 212.1 secs Computing kpt #: 214 total cpu time spent up to now is 213.0 secs Computing kpt #: 215 total cpu time spent up to now is 213.9 secs Computing kpt #: 216 total cpu time spent up to now is 214.8 secs Computing kpt #: 217 total cpu time spent up to now is 215.7 secs Computing kpt #: 218 total cpu time spent up to now is 216.6 secs Computing kpt #: 219 total cpu time spent up to now is 217.5 secs Computing kpt #: 220 total cpu time spent up to now is 218.4 secs Computing kpt #: 221 total cpu time spent up to now is 219.3 secs Computing kpt #: 222 total cpu time spent up to now is 220.2 secs Computing kpt #: 223 total cpu time spent up to now is 221.1 secs Computing kpt #: 224 total cpu time spent up to now is 222.0 secs Computing kpt #: 225 total cpu time spent up to now is 222.8 secs Computing kpt #: 226 total cpu time spent up to now is 223.7 secs Computing kpt #: 227 total cpu time spent up to now is 224.6 secs Computing kpt #: 228 total cpu time spent up to now is 225.4 secs Computing kpt #: 229 total cpu time spent up to now is 226.3 secs Computing kpt #: 230 total cpu time spent up to now is 227.1 secs Computing kpt #: 231 total cpu time spent up to now is 227.9 secs Computing kpt #: 232 total cpu time spent up to now is 229.0 secs Computing kpt #: 233 total cpu time spent up to now is 230.1 secs Computing kpt #: 234 total cpu time spent up to now is 231.2 secs Computing kpt #: 235 total cpu time spent up to now is 232.2 secs Computing kpt #: 236 total cpu time spent up to now is 233.3 secs Computing kpt #: 237 total cpu time spent up to now is 234.4 secs Computing kpt #: 238 total cpu time spent up to now is 235.4 secs Computing kpt #: 239 total cpu time spent up to now is 236.5 secs Computing kpt #: 240 total cpu time spent up to now is 237.5 secs Computing kpt #: 241 total cpu time spent up to now is 238.6 secs Computing kpt #: 242 total cpu time spent up to now is 239.7 secs Computing kpt #: 243 total cpu time spent up to now is 240.6 secs Computing kpt #: 244 total cpu time spent up to now is 241.5 secs Computing kpt #: 245 total cpu time spent up to now is 242.4 secs Computing kpt #: 246 total cpu time spent up to now is 243.3 secs Computing kpt #: 247 total cpu time spent up to now is 244.2 secs Computing kpt #: 248 total cpu time spent up to now is 245.1 secs Computing kpt #: 249 total cpu time spent up to now is 246.0 secs Computing kpt #: 250 total cpu time spent up to now is 246.9 secs Computing kpt #: 251 total cpu time spent up to now is 247.8 secs Computing kpt #: 252 total cpu time spent up to now is 248.6 secs Computing kpt #: 253 total cpu time spent up to now is 249.5 secs Computing kpt #: 254 total cpu time spent up to now is 250.3 secs Computing kpt #: 255 total cpu time spent up to now is 251.2 secs Computing kpt #: 256 total cpu time spent up to now is 252.0 secs Computing kpt #: 257 total cpu time spent up to now is 252.9 secs Computing kpt #: 258 total cpu time spent up to now is 253.7 secs Computing kpt #: 259 total cpu time spent up to now is 254.6 secs Computing kpt #: 260 total cpu time spent up to now is 255.4 secs Computing kpt #: 261 total cpu time spent up to now is 256.3 secs Computing kpt #: 262 total cpu time spent up to now is 257.1 secs Computing kpt #: 263 total cpu time spent up to now is 258.0 secs Computing kpt #: 264 total cpu time spent up to now is 258.8 secs Computing kpt #: 265 total cpu time spent up to now is 259.7 secs Computing kpt #: 266 total cpu time spent up to now is 260.5 secs Computing kpt #: 267 total cpu time spent up to now is 261.4 secs Computing kpt #: 268 total cpu time spent up to now is 262.2 secs Computing kpt #: 269 total cpu time spent up to now is 263.1 secs Computing kpt #: 270 total cpu time spent up to now is 263.9 secs Computing kpt #: 271 total cpu time spent up to now is 264.8 secs Computing kpt #: 272 total cpu time spent up to now is 265.6 secs Computing kpt #: 273 total cpu time spent up to now is 266.5 secs Computing kpt #: 274 total cpu time spent up to now is 267.3 secs ethr = 1.56E-08, avg # of iterations = 20.8 total cpu time spent up to now is 267.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6711 PWs) bands (ev): -23.6297 -23.6297 -21.7918 -21.7918 -21.7715 -21.7715 -21.6806 -21.6806 -20.9629 -20.9629 -20.8898 -20.8898 -19.1266 -19.1266 -14.3765 -14.3765 -9.1224 -9.1224 -7.4322 -7.4322 -5.5326 -5.5326 -5.4622 -5.4622 -5.4078 -5.4078 -5.1389 -5.1389 -4.8654 -4.8654 -4.6991 -4.6991 -3.3834 -3.3834 -3.3483 -3.3483 -3.3253 -3.3253 -2.7237 -2.7237 -2.5546 -2.5546 -1.7981 -1.7981 -1.7265 -1.7265 -1.6517 -1.6517 -1.6199 -1.6199 -1.5713 -1.5713 -1.4234 -1.4234 -1.1084 -1.1084 -0.9420 -0.9420 -0.9173 -0.9173 -0.2077 -0.2077 -0.1208 -0.1208 2.9897 2.9897 3.2152 3.2152 5.9667 5.9667 6.7168 6.7168 8.5035 8.5035 9.1357 9.1357 k = 0.0152 0.0105-0.0004 ( 6713 PWs) bands (ev): -23.6297 -23.6297 -21.7918 -21.7918 -21.7715 -21.7715 -21.6806 -21.6806 -20.9629 -20.9629 -20.8898 -20.8898 -19.1266 -19.1266 -14.3765 -14.3765 -9.1220 -9.1220 -7.4324 -7.4324 -5.5325 -5.5325 -5.4619 -5.4619 -5.4078 -5.4078 -5.1398 -5.1398 -4.8656 -4.8656 -4.6992 -4.6992 -3.3830 -3.3830 -3.3477 -3.3477 -3.3246 -3.3246 -2.7236 -2.7236 -2.5547 -2.5547 -1.7982 -1.7982 -1.7269 -1.7269 -1.6521 -1.6521 -1.6204 -1.6204 -1.5717 -1.5717 -1.4235 -1.4235 -1.1078 -1.1078 -0.9417 -0.9417 -0.9172 -0.9172 -0.2078 -0.2078 -0.1208 -0.1208 2.9894 2.9894 3.2142 3.2142 5.9685 5.9685 6.7155 6.7155 8.5044 8.5044 9.1359 9.1359 k = 0.0303 0.0209-0.0007 ( 6719 PWs) bands (ev): -23.6296 -23.6296 -21.7919 -21.7919 -21.7717 -21.7717 -21.6806 -21.6806 -20.9628 -20.9628 -20.8898 -20.8898 -19.1266 -19.1266 -14.3767 -14.3767 -9.1207 -9.1207 -7.4333 -7.4333 -5.5320 -5.5320 -5.4608 -5.4608 -5.4078 -5.4078 -5.1426 -5.1426 -4.8661 -4.8661 -4.6996 -4.6996 -3.3819 -3.3819 -3.3458 -3.3458 -3.3226 -3.3226 -2.7234 -2.7234 -2.5551 -2.5551 -1.7984 -1.7984 -1.7281 -1.7281 -1.6531 -1.6531 -1.6220 -1.6220 -1.5729 -1.5729 -1.4238 -1.4238 -1.1059 -1.1059 -0.9408 -0.9408 -0.9169 -0.9169 -0.2081 -0.2081 -0.1206 -0.1206 2.9885 2.9885 3.2112 3.2112 5.9740 5.9740 6.7115 6.7115 8.5070 8.5070 9.1363 9.1363 k = 0.0455 0.0314-0.0011 ( 6719 PWs) bands (ev): -23.6294 -23.6294 -21.7922 -21.7922 -21.7720 -21.7720 -21.6805 -21.6805 -20.9626 -20.9626 -20.8899 -20.8899 -19.1265 -19.1265 -14.3770 -14.3770 -9.1187 -9.1187 -7.4346 -7.4346 -5.5314 -5.5314 -5.4590 -5.4590 -5.4077 -5.4077 -5.1471 -5.1471 -4.8669 -4.8669 -4.7001 -4.7001 -3.3800 -3.3800 -3.3428 -3.3428 -3.3191 -3.3191 -2.7229 -2.7229 -2.5557 -2.5557 -1.7987 -1.7987 -1.7301 -1.7301 -1.6549 -1.6549 -1.6246 -1.6246 -1.5749 -1.5749 -1.4243 -1.4243 -1.1028 -1.1028 -0.9395 -0.9395 -0.9163 -0.9163 -0.2087 -0.2087 -0.1204 -0.1204 2.9870 2.9870 3.2061 3.2061 5.9831 5.9831 6.7051 6.7051 8.5114 8.5114 9.1372 9.1372 k = 0.0606 0.0418-0.0015 ( 6721 PWs) bands (ev): -23.6291 -23.6291 -21.7924 -21.7924 -21.7723 -21.7723 -21.6804 -21.6804 -20.9623 -20.9623 -20.8900 -20.8900 -19.1265 -19.1265 -14.3774 -14.3774 -9.1158 -9.1158 -7.4365 -7.4365 -5.5306 -5.5306 -5.4565 -5.4565 -5.4075 -5.4075 -5.1533 -5.1533 -4.8679 -4.8679 -4.7008 -4.7008 -3.3774 -3.3774 -3.3387 -3.3387 -3.3143 -3.3143 -2.7223 -2.7223 -2.5565 -2.5565 -1.7991 -1.7991 -1.7328 -1.7328 -1.6575 -1.6575 -1.6281 -1.6281 -1.5777 -1.5777 -1.4250 -1.4250 -1.0986 -1.0986 -0.9379 -0.9379 -0.9154 -0.9154 -0.2095 -0.2095 -0.1199 -0.1199 2.9850 2.9850 3.1990 3.1990 5.9954 5.9954 6.6966 6.6966 8.5175 8.5175 9.1384 9.1384 k = 0.0758 0.0523-0.0018 ( 6731 PWs) bands (ev): -23.6288 -23.6288 -21.7928 -21.7928 -21.7728 -21.7728 -21.6803 -21.6803 -20.9619 -20.9619 -20.8902 -20.8902 -19.1264 -19.1264 -14.3779 -14.3779 -9.1122 -9.1122 -7.4387 -7.4387 -5.5297 -5.5297 -5.4534 -5.4534 -5.4073 -5.4073 -5.1611 -5.1611 -4.8693 -4.8693 -4.7016 -4.7016 -3.3743 -3.3743 -3.3336 -3.3336 -3.3083 -3.3083 -2.7215 -2.7215 -2.5577 -2.5577 -1.7997 -1.7997 -1.7362 -1.7362 -1.6610 -1.6610 -1.6323 -1.6323 -1.5811 -1.5811 -1.4258 -1.4258 -1.0933 -1.0933 -0.9362 -0.9362 -0.9140 -0.9140 -0.2104 -0.2104 -0.1193 -0.1193 2.9824 2.9824 3.1899 3.1899 6.0105 6.0105 6.6862 6.6862 8.5251 8.5251 9.1399 9.1399 k = 0.0909 0.0628-0.0022 ( 6724 PWs) bands (ev): -23.6285 -23.6285 -21.7932 -21.7932 -21.7733 -21.7733 -21.6802 -21.6802 -20.9615 -20.9615 -20.8903 -20.8903 -19.1263 -19.1263 -14.3785 -14.3785 -9.1079 -9.1079 -7.4411 -7.4411 -5.5288 -5.5288 -5.4497 -5.4497 -5.4070 -5.4070 -5.1703 -5.1703 -4.8708 -4.8708 -4.7024 -4.7024 -3.3705 -3.3705 -3.3279 -3.3279 -3.3011 -3.3011 -2.7204 -2.7204 -2.5592 -2.5592 -1.8004 -1.8004 -1.7402 -1.7402 -1.6653 -1.6653 -1.6371 -1.6371 -1.5850 -1.5850 -1.4267 -1.4267 -1.0870 -1.0870 -0.9346 -0.9346 -0.9118 -0.9118 -0.2113 -0.2113 -0.1183 -0.1183 2.9793 2.9793 3.1790 3.1790 6.0280 6.0280 6.6745 6.6745 8.5340 8.5340 9.1419 9.1419 k = 0.1061 0.0732-0.0026 ( 6731 PWs) bands (ev): -23.6280 -23.6280 -21.7937 -21.7937 -21.7740 -21.7740 -21.6800 -21.6800 -20.9610 -20.9610 -20.8905 -20.8905 -19.1262 -19.1262 -14.3792 -14.3792 -9.1030 -9.1030 -7.4438 -7.4438 -5.5281 -5.5281 -5.4456 -5.4456 -5.4064 -5.4064 -5.1808 -5.1808 -4.8725 -4.8725 -4.7031 -4.7031 -3.3663 -3.3663 -3.3214 -3.3214 -3.2929 -3.2929 -2.7191 -2.7191 -2.5610 -2.5610 -1.8011 -1.8011 -1.7446 -1.7446 -1.6706 -1.6706 -1.6423 -1.6423 -1.5893 -1.5893 -1.4278 -1.4278 -1.0799 -1.0799 -0.9335 -0.9335 -0.9089 -0.9089 -0.2123 -0.2123 -0.1169 -0.1169 2.9757 2.9757 3.1662 3.1662 6.0471 6.0471 6.6622 6.6622 8.5443 8.5443 9.1444 9.1444 k = 0.1212 0.0837-0.0030 ( 6719 PWs) bands (ev): -23.6275 -23.6275 -21.7943 -21.7943 -21.7747 -21.7747 -21.6798 -21.6798 -20.9604 -20.9604 -20.8907 -20.8907 -19.1261 -19.1261 -14.3800 -14.3800 -9.0976 -9.0976 -7.4465 -7.4465 -5.5275 -5.5275 -5.4414 -5.4414 -5.4054 -5.4054 -5.1923 -5.1923 -4.8743 -4.8743 -4.7038 -4.7038 -3.3616 -3.3616 -3.3145 -3.3145 -3.2841 -3.2841 -2.7176 -2.7176 -2.5633 -2.5633 -1.8020 -1.8020 -1.7494 -1.7494 -1.6766 -1.6766 -1.6481 -1.6481 -1.5939 -1.5939 -1.4289 -1.4289 -1.0720 -1.0720 -0.9329 -0.9329 -0.9050 -0.9050 -0.2133 -0.2133 -0.1151 -0.1151 2.9716 2.9716 3.1516 3.1516 6.0670 6.0670 6.6501 6.6501 8.5557 8.5557 9.1474 9.1474 k = 0.1364 0.0942-0.0033 ( 6719 PWs) bands (ev): -23.6270 -23.6270 -21.7950 -21.7950 -21.7755 -21.7755 -21.6796 -21.6796 -20.9598 -20.9598 -20.8909 -20.8909 -19.1260 -19.1260 -14.3809 -14.3809 -9.0918 -9.0918 -7.4492 -7.4492 -5.5274 -5.5274 -5.4373 -5.4373 -5.4038 -5.4038 -5.2048 -5.2048 -4.8761 -4.8761 -4.7043 -4.7043 -3.3565 -3.3565 -3.3071 -3.3071 -3.2749 -3.2749 -2.7157 -2.7157 -2.5660 -2.5660 -1.8030 -1.8030 -1.7544 -1.7544 -1.6834 -1.6834 -1.6543 -1.6543 -1.5987 -1.5987 -1.4301 -1.4301 -1.0636 -1.0636 -0.9330 -0.9330 -0.9003 -0.9003 -0.2140 -0.2140 -0.1127 -0.1127 2.9670 2.9670 3.1353 3.1353 6.0865 6.0865 6.6394 6.6394 8.5680 8.5680 9.1509 9.1509 k = 0.1515 0.1046-0.0037 ( 6723 PWs) bands (ev): -23.6264 -23.6264 -21.7956 -21.7956 -21.7763 -21.7763 -21.6794 -21.6794 -20.9591 -20.9591 -20.8912 -20.8912 -19.1258 -19.1258 -14.3818 -14.3818 -9.0857 -9.0857 -7.4516 -7.4516 -5.5278 -5.5278 -5.4339 -5.4339 -5.4012 -5.4012 -5.2177 -5.2177 -4.8780 -4.8780 -4.7045 -4.7045 -3.3510 -3.3510 -3.2994 -3.2994 -3.2656 -3.2656 -2.7135 -2.7135 -2.5692 -2.5692 -1.8041 -1.8041 -1.7593 -1.7593 -1.6907 -1.6907 -1.6610 -1.6610 -1.6034 -1.6034 -1.4312 -1.4312 -1.0548 -1.0548 -0.9336 -0.9336 -0.8950 -0.8950 -0.2146 -0.2146 -0.1096 -0.1096 2.9620 2.9620 3.1174 3.1174 6.1042 6.1042 6.6312 6.6312 8.5811 8.5811 9.1551 9.1551 k = 0.1667 0.1151-0.0041 ( 6722 PWs) bands (ev): -23.6258 -23.6258 -21.7964 -21.7964 -21.7772 -21.7772 -21.6792 -21.6792 -20.9584 -20.9584 -20.8914 -20.8914 -19.1257 -19.1257 -14.3828 -14.3828 -9.0794 -9.0794 -7.4537 -7.4537 -5.5287 -5.5287 -5.4314 -5.4314 -5.3974 -5.3974 -5.2310 -5.2310 -4.8798 -4.8798 -4.7044 -4.7044 -3.3453 -3.3453 -3.2915 -3.2915 -3.2565 -3.2565 -2.7110 -2.7110 -2.5728 -2.5728 -1.8053 -1.8053 -1.7641 -1.7641 -1.6982 -1.6982 -1.6684 -1.6684 -1.6080 -1.6080 -1.4324 -1.4324 -1.0457 -1.0457 -0.9347 -0.9347 -0.8893 -0.8893 -0.2148 -0.2148 -0.1057 -0.1057 2.9565 2.9565 3.0980 3.0980 6.1188 6.1188 6.6270 6.6270 8.5949 8.5949 9.1601 9.1601 k = 0.1818 0.1255-0.0044 ( 6726 PWs) bands (ev): -23.6251 -23.6251 -21.7972 -21.7972 -21.7782 -21.7782 -21.6789 -21.6789 -20.9576 -20.9576 -20.8917 -20.8917 -19.1255 -19.1255 -14.3838 -14.3838 -9.0729 -9.0729 -7.4553 -7.4553 -5.5305 -5.5305 -5.4301 -5.4301 -5.3924 -5.3924 -5.2442 -5.2442 -4.8815 -4.8815 -4.7039 -4.7039 -3.3393 -3.3393 -3.2835 -3.2835 -3.2481 -3.2481 -2.7082 -2.7082 -2.5770 -2.5770 -1.8066 -1.8066 -1.7685 -1.7685 -1.7059 -1.7059 -1.6765 -1.6765 -1.6122 -1.6122 -1.4336 -1.4336 -1.0365 -1.0365 -0.9362 -0.9362 -0.8833 -0.8833 -0.2146 -0.2146 -0.1009 -0.1009 2.9506 2.9506 3.0773 3.0773 6.1286 6.1286 6.6282 6.6282 8.6092 8.6092 9.1658 9.1658 k = 0.1970 0.1360-0.0048 ( 6729 PWs) bands (ev): -23.6244 -23.6244 -21.7980 -21.7980 -21.7792 -21.7792 -21.6786 -21.6786 -20.9568 -20.9568 -20.8920 -20.8920 -19.1254 -19.1254 -14.3849 -14.3849 -9.0664 -9.0664 -7.4563 -7.4563 -5.5333 -5.5333 -5.4298 -5.4298 -5.3865 -5.3865 -5.2571 -5.2571 -4.8831 -4.8831 -4.7030 -4.7030 -3.3332 -3.3332 -3.2755 -3.2755 -3.2405 -3.2405 -2.7049 -2.7049 -2.5817 -2.5817 -1.8081 -1.8081 -1.7723 -1.7723 -1.7135 -1.7135 -1.6853 -1.6853 -1.6162 -1.6162 -1.4348 -1.4348 -1.0273 -1.0273 -0.9381 -0.9381 -0.8773 -0.8773 -0.2139 -0.2139 -0.0952 -0.0952 2.9442 2.9442 3.0556 3.0556 6.1327 6.1327 6.6358 6.6358 8.6238 8.6238 9.1723 9.1723 k = 0.2121 0.1465-0.0052 ( 6719 PWs) bands (ev): -23.6237 -23.6237 -21.7988 -21.7988 -21.7802 -21.7802 -21.6784 -21.6784 -20.9560 -20.9560 -20.8923 -20.8923 -19.1252 -19.1252 -14.3860 -14.3860 -9.0600 -9.0600 -7.4567 -7.4567 -5.5372 -5.5372 -5.4304 -5.4304 -5.3798 -5.3798 -5.2692 -5.2692 -4.8846 -4.8846 -4.7017 -4.7017 -3.3270 -3.3270 -3.2676 -3.2676 -3.2339 -3.2339 -2.7012 -2.7012 -2.5868 -2.5868 -1.8098 -1.8098 -1.7755 -1.7755 -1.7207 -1.7207 -1.6947 -1.6947 -1.6198 -1.6198 -1.4360 -1.4360 -1.0185 -1.0185 -0.9403 -0.9403 -0.8712 -0.8712 -0.2126 -0.2126 -0.0885 -0.0885 2.9372 2.9372 3.0329 3.0329 6.1303 6.1303 6.6504 6.6504 8.6386 8.6386 9.1798 9.1798 k = 0.2273 0.1569-0.0055 ( 6713 PWs) bands (ev): -23.6229 -23.6229 -21.7997 -21.7997 -21.7813 -21.7813 -21.6781 -21.6781 -20.9551 -20.9551 -20.8926 -20.8926 -19.1251 -19.1251 -14.3871 -14.3871 -9.0538 -9.0538 -7.4563 -7.4563 -5.5423 -5.5423 -5.4317 -5.4317 -5.3729 -5.3729 -5.2801 -5.2801 -4.8858 -4.8858 -4.6999 -4.6999 -3.3207 -3.3207 -3.2600 -3.2600 -3.2285 -3.2285 -2.6971 -2.6971 -2.5924 -2.5924 -1.8115 -1.8115 -1.7780 -1.7780 -1.7274 -1.7274 -1.7047 -1.7047 -1.6230 -1.6230 -1.4371 -1.4371 -1.0101 -1.0101 -0.9426 -0.9426 -0.8654 -0.8654 -0.2106 -0.2106 -0.0808 -0.0808 2.9296 2.9296 3.0097 3.0097 6.1218 6.1218 6.6714 6.6714 8.6535 8.6535 9.1883 9.1883 k = 0.2424 0.1674-0.0059 ( 6723 PWs) bands (ev): -23.6222 -23.6222 -21.8006 -21.8006 -21.7823 -21.7823 -21.6778 -21.6778 -20.9543 -20.9543 -20.8929 -20.8929 -19.1249 -19.1249 -14.3881 -14.3881 -9.0479 -9.0479 -7.4550 -7.4550 -5.5489 -5.5489 -5.4334 -5.4334 -5.3661 -5.3661 -5.2897 -5.2897 -4.8868 -4.8868 -4.6976 -4.6976 -3.3145 -3.3145 -3.2528 -3.2528 -3.2245 -3.2245 -2.6926 -2.6926 -2.5985 -2.5985 -1.8133 -1.8133 -1.7800 -1.7800 -1.7334 -1.7334 -1.7152 -1.7152 -1.6259 -1.6259 -1.4382 -1.4382 -1.0025 -1.0025 -0.9448 -0.9448 -0.8598 -0.8598 -0.2079 -0.2079 -0.0721 -0.0721 2.9210 2.9210 2.9866 2.9866 6.1078 6.1078 6.6982 6.6982 8.6684 8.6684 9.1977 9.1977 k = 0.2576 0.1778-0.0063 ( 6721 PWs) bands (ev): -23.6214 -23.6214 -21.8015 -21.8015 -21.7834 -21.7834 -21.6775 -21.6775 -20.9534 -20.9534 -20.8932 -20.8932 -19.1248 -19.1248 -14.3892 -14.3892 -9.0422 -9.0422 -7.4529 -7.4529 -5.5571 -5.5571 -5.4355 -5.4355 -5.3596 -5.3596 -5.2974 -5.2974 -4.8877 -4.8877 -4.6949 -4.6949 -3.3084 -3.3084 -3.2461 -3.2461 -3.2216 -3.2216 -2.6876 -2.6876 -2.6048 -2.6048 -1.8152 -1.8152 -1.7816 -1.7816 -1.7383 -1.7383 -1.7258 -1.7258 -1.6285 -1.6285 -1.4392 -1.4392 -0.9960 -0.9960 -0.9466 -0.9466 -0.8547 -0.8547 -0.2045 -0.2045 -0.0625 -0.0625 2.9108 2.9108 2.9643 2.9643 6.0893 6.0893 6.7295 6.7295 8.6832 8.6832 9.2082 9.2082 k = 0.2727 0.1883-0.0067 ( 6722 PWs) bands (ev): -23.6207 -23.6207 -21.8024 -21.8024 -21.7844 -21.7844 -21.6772 -21.6772 -20.9525 -20.9525 -20.8936 -20.8936 -19.1246 -19.1246 -14.3903 -14.3903 -9.0370 -9.0370 -7.4500 -7.4500 -5.5666 -5.5666 -5.4377 -5.4377 -5.3539 -5.3539 -5.3031 -5.3031 -4.8882 -4.8882 -4.6917 -4.6917 -3.3026 -3.3026 -3.2404 -3.2404 -3.2197 -3.2197 -2.6822 -2.6822 -2.6115 -2.6115 -1.8174 -1.8174 -1.7828 -1.7828 -1.7429 -1.7429 -1.7357 -1.7357 -1.6308 -1.6308 -1.4402 -1.4402 -0.9912 -0.9912 -0.9475 -0.9475 -0.8499 -0.8499 -0.2003 -0.2003 -0.0520 -0.0520 2.8979 2.8979 2.9442 2.9442 6.0677 6.0677 6.7639 6.7639 8.6978 8.6978 9.2196 9.2196 k = 0.2879 0.1988-0.0070 ( 6723 PWs) bands (ev): -23.6199 -23.6199 -21.8033 -21.8033 -21.7855 -21.7855 -21.6770 -21.6770 -20.9517 -20.9517 -20.8939 -20.8939 -19.1245 -19.1245 -14.3913 -14.3913 -9.0322 -9.0322 -7.4463 -7.4463 -5.5776 -5.5776 -5.4401 -5.4401 -5.3492 -5.3492 -5.3064 -5.3064 -4.8886 -4.8886 -4.6882 -4.6882 -3.2971 -3.2971 -3.2362 -3.2362 -3.2181 -3.2181 -2.6765 -2.6765 -2.6183 -2.6183 -1.8199 -1.8199 -1.7839 -1.7839 -1.7507 -1.7507 -1.7406 -1.7406 -1.6328 -1.6328 -1.4411 -1.4411 -0.9886 -0.9886 -0.9470 -0.9470 -0.8457 -0.8457 -0.1955 -0.1955 -0.0407 -0.0407 2.8811 2.8811 2.9279 2.9279 6.0437 6.0437 6.8004 6.8004 8.7120 8.7120 9.2319 9.2319 k = 0.3030 0.2092-0.0074 ( 6719 PWs) bands (ev): -23.6192 -23.6192 -21.8042 -21.8042 -21.7865 -21.7865 -21.6767 -21.6767 -20.9509 -20.9509 -20.8942 -20.8942 -19.1244 -19.1244 -14.3922 -14.3922 -9.0278 -9.0278 -7.4418 -7.4418 -5.5897 -5.5897 -5.4425 -5.4425 -5.3460 -5.3460 -5.3073 -5.3073 -4.8887 -4.8887 -4.6843 -4.6843 -3.2922 -3.2922 -3.2340 -3.2340 -3.2159 -3.2159 -2.6705 -2.6705 -2.6252 -2.6252 -1.8230 -1.8230 -1.7849 -1.7849 -1.7613 -1.7613 -1.7410 -1.7410 -1.6347 -1.6347 -1.4420 -1.4420 -0.9884 -0.9884 -0.9448 -0.9448 -0.8420 -0.8420 -0.1901 -0.1901 -0.0287 -0.0287 2.8607 2.8607 2.9154 2.9154 6.0185 6.0185 6.8379 6.8379 8.7258 8.7258 9.2448 9.2448 k = 0.3182 0.2197-0.0078 ( 6709 PWs) bands (ev): -23.6185 -23.6185 -21.8050 -21.8050 -21.7874 -21.7874 -21.6764 -21.6764 -20.9501 -20.9501 -20.8945 -20.8945 -19.1242 -19.1242 -14.3932 -14.3932 -9.0239 -9.0239 -7.4366 -7.4366 -5.6027 -5.6027 -5.4448 -5.4448 -5.3442 -5.3442 -5.3059 -5.3059 -4.8887 -4.8887 -4.6802 -4.6802 -3.2881 -3.2881 -3.2341 -3.2341 -3.2129 -3.2129 -2.6642 -2.6642 -2.6321 -2.6321 -1.8266 -1.8266 -1.7858 -1.7858 -1.7719 -1.7719 -1.7392 -1.7392 -1.6363 -1.6363 -1.4428 -1.4428 -0.9901 -0.9901 -0.9414 -0.9414 -0.8388 -0.8388 -0.1841 -0.1841 -0.0163 -0.0163 2.8383 2.8383 2.9054 2.9054 5.9928 5.9928 6.8753 6.8753 8.7392 8.7392 9.2580 9.2580 k = 0.3333 0.2302-0.0081 ( 6709 PWs) bands (ev): -23.6178 -23.6178 -21.8058 -21.8058 -21.7883 -21.7883 -21.6761 -21.6761 -20.9493 -20.9493 -20.8947 -20.8947 -19.1241 -19.1241 -14.3941 -14.3941 -9.0205 -9.0205 -7.4309 -7.4309 -5.6162 -5.6162 -5.4471 -5.4471 -5.3433 -5.3433 -5.3031 -5.3031 -4.8885 -4.8885 -4.6759 -4.6759 -3.2850 -3.2850 -3.2355 -3.2355 -3.2093 -3.2093 -2.6578 -2.6578 -2.6388 -2.6388 -1.8309 -1.8309 -1.7882 -1.7882 -1.7805 -1.7805 -1.7359 -1.7359 -1.6377 -1.6377 -1.4435 -1.4435 -0.9931 -0.9931 -0.9374 -0.9374 -0.8362 -0.8362 -0.1778 -0.1778 -0.0037 -0.0037 2.8151 2.8151 2.8968 2.8968 5.9671 5.9671 6.9121 6.9121 8.7519 8.7519 9.2713 9.2713 k = 0.3485 0.2406-0.0085 ( 6709 PWs) bands (ev): -23.6172 -23.6172 -21.8066 -21.8066 -21.7892 -21.7892 -21.6759 -21.6759 -20.9486 -20.9486 -20.8950 -20.8950 -19.1240 -19.1240 -14.3949 -14.3949 -9.0176 -9.0176 -7.4248 -7.4248 -5.6299 -5.6299 -5.4492 -5.4492 -5.3429 -5.3429 -5.2993 -5.2993 -4.8881 -4.8881 -4.6715 -4.6715 -3.2833 -3.2833 -3.2373 -3.2373 -3.2057 -3.2057 -2.6516 -2.6516 -2.6451 -2.6451 -1.8356 -1.8356 -1.7958 -1.7958 -1.7832 -1.7832 -1.7315 -1.7315 -1.6389 -1.6389 -1.4442 -1.4442 -0.9969 -0.9969 -0.9331 -0.9331 -0.8340 -0.8340 -0.1712 -0.1712 0.0090 0.0090 2.7922 2.7922 2.8892 2.8892 5.9421 5.9421 6.9475 6.9475 8.7640 8.7640 9.2841 9.2841 k = 0.3636 0.2511-0.0089 ( 6707 PWs) bands (ev): -23.6166 -23.6166 -21.8073 -21.8073 -21.7900 -21.7900 -21.6757 -21.6757 -20.9479 -20.9479 -20.8953 -20.8953 -19.1239 -19.1239 -14.3956 -14.3956 -9.0151 -9.0151 -7.4185 -7.4185 -5.6435 -5.6435 -5.4512 -5.4512 -5.3427 -5.3427 -5.2953 -5.2953 -4.8877 -4.8877 -4.6671 -4.6671 -3.2832 -3.2832 -3.2386 -3.2386 -3.2023 -3.2023 -2.6522 -2.6522 -2.6443 -2.6443 -1.8407 -1.8407 -1.8053 -1.8053 -1.7832 -1.7832 -1.7263 -1.7263 -1.6400 -1.6400 -1.4449 -1.4449 -1.0010 -1.0010 -0.9289 -0.9289 -0.8323 -0.8323 -0.1645 -0.1645 0.0215 0.0215 2.7701 2.7701 2.8823 2.8823 5.9183 5.9183 6.9809 6.9809 8.7752 8.7752 9.2961 9.2961 k = 0.3788 0.2615-0.0092 ( 6711 PWs) bands (ev): -23.6160 -23.6160 -21.8080 -21.8080 -21.7908 -21.7908 -21.6755 -21.6755 -20.9473 -20.9473 -20.8955 -20.8955 -19.1238 -19.1238 -14.3963 -14.3963 -9.0130 -9.0130 -7.4121 -7.4121 -5.6566 -5.6566 -5.4530 -5.4530 -5.3424 -5.3424 -5.2913 -5.2913 -4.8871 -4.8871 -4.6629 -4.6629 -3.2849 -3.2849 -3.2391 -3.2391 -3.1993 -3.1993 -2.6578 -2.6578 -2.6382 -2.6382 -1.8458 -1.8458 -1.8144 -1.8144 -1.7826 -1.7826 -1.7206 -1.7206 -1.6409 -1.6409 -1.4454 -1.4454 -1.0052 -1.0052 -0.9249 -0.9249 -0.8310 -0.8310 -0.1579 -0.1579 0.0336 0.0336 2.7492 2.7492 2.8760 2.8760 5.8959 5.8959 7.0119 7.0119 8.7856 8.7856 9.3068 9.3068 k = 0.3939 0.2720-0.0096 ( 6715 PWs) bands (ev): -23.6155 -23.6155 -21.8086 -21.8086 -21.7914 -21.7914 -21.6753 -21.6753 -20.9468 -20.9468 -20.8957 -20.8957 -19.1237 -19.1237 -14.3969 -14.3969 -9.0113 -9.0113 -7.4059 -7.4059 -5.6689 -5.6689 -5.4547 -5.4547 -5.3422 -5.3422 -5.2875 -5.2875 -4.8866 -4.8866 -4.6588 -4.6588 -3.2880 -3.2880 -3.2387 -3.2387 -3.1967 -3.1967 -2.6632 -2.6632 -2.6323 -2.6323 -1.8510 -1.8510 -1.8227 -1.8227 -1.7818 -1.7818 -1.7149 -1.7149 -1.6416 -1.6416 -1.4459 -1.4459 -1.0094 -1.0094 -0.9213 -0.9213 -0.8300 -0.8300 -0.1516 -0.1516 0.0449 0.0449 2.7299 2.7299 2.8703 2.8703 5.8754 5.8754 7.0400 7.0400 8.7950 8.7950 9.3158 9.3158 k = 0.4091 0.2825-0.0100 ( 6721 PWs) bands (ev): -23.6151 -23.6151 -21.8091 -21.8091 -21.7920 -21.7920 -21.6751 -21.6751 -20.9463 -20.9463 -20.8959 -20.8959 -19.1237 -19.1237 -14.3974 -14.3974 -9.0099 -9.0099 -7.4000 -7.4000 -5.6802 -5.6802 -5.4562 -5.4562 -5.3418 -5.3418 -5.2840 -5.2840 -4.8860 -4.8860 -4.6551 -4.6551 -3.2919 -3.2919 -3.2378 -3.2378 -3.1945 -3.1945 -2.6679 -2.6679 -2.6267 -2.6267 -1.8559 -1.8559 -1.8301 -1.8301 -1.7810 -1.7810 -1.7093 -1.7093 -1.6422 -1.6422 -1.4463 -1.4463 -1.0133 -1.0133 -0.9182 -0.9182 -0.8293 -0.8293 -0.1456 -0.1456 0.0554 0.0554 2.7126 2.7126 2.8653 2.8653 5.8571 5.8571 7.0650 7.0650 8.8034 8.8034 9.3232 9.3232 k = 0.4242 0.2929-0.0103 ( 6717 PWs) bands (ev): -23.6147 -23.6147 -21.8096 -21.8096 -21.7925 -21.7925 -21.6750 -21.6750 -20.9459 -20.9459 -20.8960 -20.8960 -19.1236 -19.1236 -14.3979 -14.3979 -9.0088 -9.0088 -7.3946 -7.3946 -5.6902 -5.6902 -5.4574 -5.4574 -5.3414 -5.3414 -5.2810 -5.2810 -4.8854 -4.8854 -4.6517 -4.6517 -3.2960 -3.2960 -3.2366 -3.2366 -3.1926 -3.1926 -2.6721 -2.6721 -2.6217 -2.6217 -1.8606 -1.8606 -1.8364 -1.8364 -1.7802 -1.7802 -1.7041 -1.7041 -1.6427 -1.6427 -1.4467 -1.4467 -1.0167 -1.0167 -0.9155 -0.9155 -0.8288 -0.8288 -0.1403 -0.1403 0.0647 0.0647 2.6974 2.6974 2.8609 2.8609 5.8412 5.8412 7.0865 7.0865 8.8106 8.8106 9.3289 9.3289 k = 0.4394 0.3034-0.0107 ( 6714 PWs) bands (ev): -23.6144 -23.6144 -21.8100 -21.8100 -21.7929 -21.7929 -21.6748 -21.6748 -20.9455 -20.9455 -20.8962 -20.8962 -19.1236 -19.1236 -14.3983 -14.3983 -9.0079 -9.0079 -7.3899 -7.3899 -5.6987 -5.6987 -5.4585 -5.4585 -5.3411 -5.3411 -5.2785 -5.2785 -4.8849 -4.8849 -4.6489 -4.6489 -3.3000 -3.3000 -3.2353 -3.2353 -3.1912 -3.1912 -2.6756 -2.6756 -2.6175 -2.6175 -1.8647 -1.8647 -1.8416 -1.8416 -1.7794 -1.7794 -1.6996 -1.6996 -1.6431 -1.6431 -1.4470 -1.4470 -1.0197 -1.0197 -0.9133 -0.9133 -0.8285 -0.8285 -0.1358 -0.1358 0.0726 0.0726 2.6846 2.6846 2.8573 2.8573 5.8279 5.8279 7.1044 7.1044 8.8167 8.8167 9.3332 9.3332 k = 0.4545 0.3138-0.0111 ( 6718 PWs) bands (ev): -23.6141 -23.6141 -21.8103 -21.8103 -21.7933 -21.7933 -21.6748 -21.6748 -20.9452 -20.9452 -20.8963 -20.8963 -19.1235 -19.1235 -14.3986 -14.3986 -9.0073 -9.0073 -7.3861 -7.3861 -5.7055 -5.7055 -5.4593 -5.4593 -5.3408 -5.3408 -5.2765 -5.2765 -4.8845 -4.8845 -4.6466 -4.6466 -3.3034 -3.3034 -3.2342 -3.2342 -3.1901 -3.1901 -2.6783 -2.6783 -2.6140 -2.6140 -1.8681 -1.8681 -1.8456 -1.8456 -1.7788 -1.7788 -1.6959 -1.6959 -1.6433 -1.6433 -1.4472 -1.4472 -1.0221 -1.0221 -0.9116 -0.9116 -0.8282 -0.8282 -0.1321 -0.1321 0.0789 0.0789 2.6745 2.6745 2.8544 2.8544 5.8173 5.8173 7.1185 7.1185 8.8214 8.8214 9.3362 9.3362 k = 0.4697 0.3243-0.0115 ( 6722 PWs) bands (ev): -23.6140 -23.6140 -21.8105 -21.8105 -21.7935 -21.7935 -21.6747 -21.6747 -20.9450 -20.9450 -20.8964 -20.8964 -19.1235 -19.1235 -14.3988 -14.3988 -9.0069 -9.0069 -7.3832 -7.3832 -5.7104 -5.7104 -5.4600 -5.4600 -5.3405 -5.3405 -5.2751 -5.2751 -4.8842 -4.8842 -4.6449 -4.6449 -3.3060 -3.3060 -3.2334 -3.2334 -3.1893 -3.1893 -2.6803 -2.6803 -2.6115 -2.6115 -1.8707 -1.8707 -1.8484 -1.8484 -1.7783 -1.7783 -1.6932 -1.6932 -1.6435 -1.6435 -1.4474 -1.4474 -1.0239 -1.0239 -0.9104 -0.9104 -0.8281 -0.8281 -0.1294 -0.1294 0.0836 0.0836 2.6671 2.6671 2.8523 2.8523 5.8097 5.8097 7.1286 7.1286 8.8249 8.8249 9.3381 9.3381 k = 0.4848 0.3348-0.0118 ( 6716 PWs) bands (ev): -23.6138 -23.6138 -21.8106 -21.8106 -21.7937 -21.7937 -21.6746 -21.6746 -20.9449 -20.9449 -20.8964 -20.8964 -19.1235 -19.1235 -14.3989 -14.3989 -9.0067 -9.0067 -7.3815 -7.3815 -5.7135 -5.7135 -5.4603 -5.4603 -5.3404 -5.3404 -5.2742 -5.2742 -4.8840 -4.8840 -4.6438 -4.6438 -3.3077 -3.3077 -3.2329 -3.2329 -3.1888 -3.1888 -2.6815 -2.6815 -2.6099 -2.6099 -1.8723 -1.8723 -1.8501 -1.8501 -1.7780 -1.7780 -1.6915 -1.6915 -1.6436 -1.6436 -1.4474 -1.4474 -1.0250 -1.0250 -0.9096 -0.9096 -0.8281 -0.8281 -0.1277 -0.1277 0.0864 0.0864 2.6626 2.6626 2.8510 2.8510 5.8051 5.8051 7.1347 7.1347 8.8269 8.8269 9.3392 9.3392 k = 0.5000 0.3452-0.0122 ( 6722 PWs) bands (ev): -23.6138 -23.6138 -21.8107 -21.8107 -21.7937 -21.7937 -21.6746 -21.6746 -20.9449 -20.9449 -20.8964 -20.8964 -19.1235 -19.1235 -14.3990 -14.3990 -9.0066 -9.0066 -7.3809 -7.3809 -5.7145 -5.7145 -5.4605 -5.4605 -5.3403 -5.3403 -5.2739 -5.2739 -4.8840 -4.8840 -4.6435 -4.6435 -3.3082 -3.3082 -3.2327 -3.2327 -3.1887 -3.1887 -2.6819 -2.6819 -2.6094 -2.6094 -1.8728 -1.8728 -1.8506 -1.8506 -1.7779 -1.7779 -1.6909 -1.6909 -1.6436 -1.6436 -1.4475 -1.4475 -1.0253 -1.0253 -0.9094 -0.9094 -0.8280 -0.8280 -0.1271 -0.1271 0.0874 0.0874 2.6611 2.6611 2.8506 2.8506 5.8036 5.8036 7.1368 7.1368 8.8276 8.8276 9.3396 9.3396 k = 0.5000 0.3452-0.0122 ( 6722 PWs) bands (ev): -23.6138 -23.6138 -21.8107 -21.8107 -21.7937 -21.7937 -21.6746 -21.6746 -20.9449 -20.9449 -20.8964 -20.8964 -19.1235 -19.1235 -14.3990 -14.3990 -9.0066 -9.0066 -7.3809 -7.3809 -5.7145 -5.7145 -5.4605 -5.4605 -5.3403 -5.3403 -5.2739 -5.2739 -4.8840 -4.8840 -4.6435 -4.6435 -3.3082 -3.3082 -3.2327 -3.2327 -3.1887 -3.1887 -2.6819 -2.6819 -2.6094 -2.6094 -1.8728 -1.8728 -1.8506 -1.8506 -1.7779 -1.7779 -1.6909 -1.6909 -1.6436 -1.6436 -1.4475 -1.4475 -1.0253 -1.0253 -0.9094 -0.9094 -0.8280 -0.8280 -0.1271 -0.1271 0.0874 0.0874 2.6611 2.6611 2.8506 2.8506 5.8036 5.8036 7.1368 7.1368 8.8276 8.8276 9.3396 9.3396 k = 0.5003 0.3454 0.0063 ( 6722 PWs) bands (ev): -23.6138 -23.6138 -21.8107 -21.8107 -21.7937 -21.7937 -21.6747 -21.6747 -20.9449 -20.9449 -20.8964 -20.8964 -19.1235 -19.1235 -14.3990 -14.3990 -9.0065 -9.0065 -7.3809 -7.3809 -5.7140 -5.7140 -5.4604 -5.4604 -5.3402 -5.3402 -5.2742 -5.2742 -4.8844 -4.8844 -4.6443 -4.6443 -3.3076 -3.3076 -3.2322 -3.2322 -3.1883 -3.1883 -2.6817 -2.6817 -2.6093 -2.6093 -1.8732 -1.8732 -1.8510 -1.8510 -1.7779 -1.7779 -1.6911 -1.6911 -1.6436 -1.6436 -1.4484 -1.4484 -1.0253 -1.0253 -0.9091 -0.9091 -0.8280 -0.8280 -0.1269 -0.1269 0.0873 0.0873 2.6612 2.6612 2.8504 2.8504 5.8048 5.8048 7.1362 7.1362 8.8264 8.8264 9.3419 9.3419 k = 0.5006 0.3457 0.0247 ( 6723 PWs) bands (ev): -23.6136 -23.6136 -21.8106 -21.8106 -21.7936 -21.7936 -21.6750 -21.6750 -20.9449 -20.9449 -20.8965 -20.8965 -19.1235 -19.1235 -14.3990 -14.3990 -9.0061 -9.0061 -7.3809 -7.3809 -5.7126 -5.7126 -5.4602 -5.4602 -5.3400 -5.3400 -5.2748 -5.2748 -4.8855 -4.8855 -4.6466 -4.6466 -3.3059 -3.3059 -3.2306 -3.2306 -3.1873 -3.1873 -2.6810 -2.6810 -2.6091 -2.6091 -1.8744 -1.8744 -1.8521 -1.8521 -1.7779 -1.7779 -1.6916 -1.6916 -1.6435 -1.6435 -1.4513 -1.4513 -1.0253 -1.0253 -0.9083 -0.9083 -0.8278 -0.8278 -0.1262 -0.1262 0.0872 0.0872 2.6616 2.6616 2.8501 2.8501 5.8083 5.8083 7.1346 7.1346 8.8226 8.8226 9.3490 9.3490 k = 0.5009 0.3459 0.0432 ( 6723 PWs) bands (ev): -23.6134 -23.6134 -21.8106 -21.8106 -21.7936 -21.7936 -21.6754 -21.6754 -20.9449 -20.9449 -20.8965 -20.8965 -19.1234 -19.1234 -14.3990 -14.3990 -9.0056 -9.0056 -7.3810 -7.3810 -5.7103 -5.7103 -5.4598 -5.4598 -5.3397 -5.3397 -5.2759 -5.2759 -4.8874 -4.8874 -4.6506 -4.6506 -3.3030 -3.3030 -3.2280 -3.2280 -3.1857 -3.1857 -2.6798 -2.6798 -2.6087 -2.6087 -1.8763 -1.8763 -1.8538 -1.8538 -1.7780 -1.7780 -1.6926 -1.6926 -1.6434 -1.6434 -1.4559 -1.4559 -1.0254 -1.0254 -0.9069 -0.9069 -0.8275 -0.8275 -0.1250 -0.1250 0.0870 0.0870 2.6623 2.6623 2.8495 2.8495 5.8140 5.8140 7.1320 7.1320 8.8165 8.8165 9.3605 9.3605 k = 0.5012 0.3461 0.0617 ( 6713 PWs) bands (ev): -23.6132 -23.6132 -21.8105 -21.8105 -21.7934 -21.7934 -21.6760 -21.6760 -20.9449 -20.9449 -20.8965 -20.8965 -19.1234 -19.1234 -14.3990 -14.3990 -9.0048 -9.0048 -7.3810 -7.3810 -5.7071 -5.7071 -5.4594 -5.4594 -5.3392 -5.3392 -5.2774 -5.2774 -4.8899 -4.8899 -4.6560 -4.6560 -3.2990 -3.2990 -3.2244 -3.2244 -3.1834 -3.1834 -2.6781 -2.6781 -2.6081 -2.6081 -1.8790 -1.8790 -1.8561 -1.8561 -1.7781 -1.7781 -1.6939 -1.6939 -1.6432 -1.6432 -1.4624 -1.4624 -1.0254 -1.0254 -0.9051 -0.9051 -0.8271 -0.8271 -0.1234 -0.1234 0.0867 0.0867 2.6632 2.6632 2.8488 2.8488 5.8221 5.8221 7.1283 7.1283 8.8082 8.8082 9.3764 9.3764 k = 0.5015 0.3463 0.0801 ( 6711 PWs) bands (ev): -23.6128 -23.6128 -21.8104 -21.8104 -21.7933 -21.7933 -21.6767 -21.6767 -20.9450 -20.9450 -20.8966 -20.8966 -19.1234 -19.1234 -14.3991 -14.3991 -9.0038 -9.0038 -7.3811 -7.3811 -5.7029 -5.7029 -5.4588 -5.4588 -5.3387 -5.3387 -5.2792 -5.2792 -4.8932 -4.8932 -4.6630 -4.6630 -3.2940 -3.2940 -3.2198 -3.2198 -3.1805 -3.1805 -2.6761 -2.6761 -2.6075 -2.6075 -1.8826 -1.8826 -1.8590 -1.8590 -1.7782 -1.7782 -1.6957 -1.6957 -1.6430 -1.6430 -1.4705 -1.4705 -1.0254 -1.0254 -0.9028 -0.9028 -0.8266 -0.8266 -0.1213 -0.1213 0.0863 0.0863 2.6643 2.6643 2.8478 2.8478 5.8324 5.8324 7.1236 7.1236 8.7979 8.7979 9.3962 9.3962 k = 0.5018 0.3465 0.0986 ( 6709 PWs) bands (ev): -23.6124 -23.6124 -21.8102 -21.8102 -21.7931 -21.7931 -21.6776 -21.6776 -20.9450 -20.9450 -20.8967 -20.8967 -19.1233 -19.1233 -14.3992 -14.3992 -9.0026 -9.0026 -7.3811 -7.3811 -5.6979 -5.6979 -5.4580 -5.4580 -5.3383 -5.3383 -5.2812 -5.2812 -4.8971 -4.8971 -4.6713 -4.6713 -3.2879 -3.2879 -3.2142 -3.2142 -3.1770 -3.1770 -2.6735 -2.6735 -2.6066 -2.6066 -1.8872 -1.8872 -1.8624 -1.8624 -1.7785 -1.7785 -1.6979 -1.6979 -1.6425 -1.6425 -1.4801 -1.4801 -1.0254 -1.0254 -0.9000 -0.9000 -0.8260 -0.8260 -0.1189 -0.1189 0.0859 0.0859 2.6657 2.6657 2.8466 2.8466 5.8448 5.8448 7.1179 7.1179 8.7859 8.7859 9.4196 9.4196 k = 0.5021 0.3467 0.1170 ( 6720 PWs) bands (ev): -23.6119 -23.6119 -21.8101 -21.8101 -21.7929 -21.7929 -21.6786 -21.6786 -20.9451 -20.9451 -20.8968 -20.8968 -19.1233 -19.1233 -14.3992 -14.3992 -9.0012 -9.0012 -7.3812 -7.3812 -5.6921 -5.6921 -5.4572 -5.4572 -5.3379 -5.3379 -5.2833 -5.2833 -4.9017 -4.9017 -4.6810 -4.6810 -3.2810 -3.2810 -3.2077 -3.2077 -3.1730 -3.1730 -2.6706 -2.6706 -2.6057 -2.6057 -1.8926 -1.8926 -1.8661 -1.8661 -1.7789 -1.7789 -1.7006 -1.7006 -1.6420 -1.6420 -1.4911 -1.4911 -1.0255 -1.0255 -0.8968 -0.8968 -0.8253 -0.8253 -0.1161 -0.1161 0.0853 0.0853 2.6672 2.6672 2.8453 2.8453 5.8592 5.8592 7.1111 7.1111 8.7724 8.7724 9.4463 9.4463 k = 0.5024 0.3469 0.1355 ( 6721 PWs) bands (ev): -23.6113 -23.6113 -21.8099 -21.8099 -21.7927 -21.7927 -21.6798 -21.6798 -20.9451 -20.9451 -20.8969 -20.8969 -19.1233 -19.1233 -14.3993 -14.3993 -8.9996 -8.9996 -7.3813 -7.3813 -5.6854 -5.6854 -5.4562 -5.4562 -5.3378 -5.3378 -5.2854 -5.2854 -4.9068 -4.9068 -4.6919 -4.6919 -3.2732 -3.2732 -3.2004 -3.2004 -3.1684 -3.1684 -2.6672 -2.6672 -2.6046 -2.6046 -1.8991 -1.8991 -1.8701 -1.8701 -1.7794 -1.7794 -1.7039 -1.7039 -1.6412 -1.6412 -1.5032 -1.5032 -1.0256 -1.0256 -0.8932 -0.8932 -0.8246 -0.8246 -0.1129 -0.1129 0.0848 0.0848 2.6690 2.6690 2.8439 2.8439 5.8757 5.8757 7.1034 7.1034 8.7577 8.7577 9.4759 9.4759 k = 0.5027 0.3471 0.1540 ( 6719 PWs) bands (ev): -23.6107 -23.6107 -21.8097 -21.8097 -21.7925 -21.7925 -21.6810 -21.6810 -20.9452 -20.9452 -20.8971 -20.8971 -19.1232 -19.1232 -14.3994 -14.3994 -8.9979 -8.9979 -7.3813 -7.3813 -5.6780 -5.6780 -5.4551 -5.4551 -5.3381 -5.3381 -5.2873 -5.2873 -4.9124 -4.9124 -4.7040 -4.7040 -3.2647 -3.2647 -3.1922 -3.1922 -3.1633 -3.1633 -2.6634 -2.6634 -2.6033 -2.6033 -1.9064 -1.9064 -1.8744 -1.8744 -1.7801 -1.7801 -1.7079 -1.7079 -1.6402 -1.6402 -1.5162 -1.5162 -1.0257 -1.0257 -0.8893 -0.8893 -0.8238 -0.8238 -0.1095 -0.1095 0.0841 0.0841 2.6710 2.6710 2.8423 2.8423 5.8940 5.8940 7.0948 7.0948 8.7419 8.7419 9.5079 9.5079 k = 0.5030 0.3473 0.1724 ( 6711 PWs) bands (ev): -23.6100 -23.6100 -21.8095 -21.8095 -21.7922 -21.7922 -21.6824 -21.6824 -20.9452 -20.9452 -20.8972 -20.8972 -19.1231 -19.1231 -14.3995 -14.3995 -8.9960 -8.9960 -7.3814 -7.3814 -5.6697 -5.6697 -5.4539 -5.4539 -5.3389 -5.3389 -5.2888 -5.2888 -4.9184 -4.9184 -4.7171 -4.7171 -3.2556 -3.2556 -3.1834 -3.1834 -3.1576 -3.1576 -2.6591 -2.6591 -2.6020 -2.6020 -1.9146 -1.9146 -1.8789 -1.8789 -1.7811 -1.7811 -1.7127 -1.7127 -1.6389 -1.6389 -1.5298 -1.5298 -1.0258 -1.0258 -0.8851 -0.8851 -0.8229 -0.8229 -0.1059 -0.1059 0.0834 0.0834 2.6731 2.6731 2.8406 2.8406 5.9140 5.9140 7.0852 7.0852 8.7252 8.7252 9.5420 9.5420 k = 0.5034 0.3475 0.1909 ( 6712 PWs) bands (ev): -23.6093 -23.6093 -21.8093 -21.8093 -21.7919 -21.7919 -21.6838 -21.6838 -20.9453 -20.9453 -20.8973 -20.8973 -19.1231 -19.1231 -14.3996 -14.3996 -8.9941 -8.9941 -7.3814 -7.3814 -5.6608 -5.6608 -5.4526 -5.4526 -5.3403 -5.3403 -5.2897 -5.2897 -4.9249 -4.9249 -4.7312 -4.7312 -3.2460 -3.2460 -3.1741 -3.1741 -3.1514 -3.1514 -2.6546 -2.6546 -2.6006 -2.6006 -1.9236 -1.9236 -1.8836 -1.8836 -1.7822 -1.7822 -1.7185 -1.7185 -1.6374 -1.6374 -1.5437 -1.5437 -1.0259 -1.0259 -0.8807 -0.8807 -0.8220 -0.8220 -0.1021 -0.1021 0.0827 0.0827 2.6753 2.6753 2.8388 2.8388 5.9356 5.9356 7.0747 7.0747 8.7079 8.7079 9.5776 9.5776 k = 0.5037 0.3478 0.2093 ( 6712 PWs) bands (ev): -23.6086 -23.6086 -21.8091 -21.8091 -21.7916 -21.7916 -21.6854 -21.6854 -20.9454 -20.9454 -20.8975 -20.8975 -19.1230 -19.1230 -14.3997 -14.3997 -8.9920 -8.9920 -7.3815 -7.3815 -5.6513 -5.6513 -5.4513 -5.4513 -5.3425 -5.3425 -5.2900 -5.2900 -4.9316 -4.9316 -4.7461 -4.7461 -3.2359 -3.2359 -3.1646 -3.1646 -3.1443 -3.1443 -2.6496 -2.6496 -2.5991 -2.5991 -1.9333 -1.9333 -1.8885 -1.8885 -1.7837 -1.7837 -1.7254 -1.7254 -1.6357 -1.6357 -1.5574 -1.5574 -1.0260 -1.0260 -0.8761 -0.8761 -0.8211 -0.8211 -0.0981 -0.0981 0.0819 0.0819 2.6777 2.6777 2.8370 2.8370 5.9586 5.9586 7.0633 7.0633 8.6901 8.6901 9.6142 9.6142 k = 0.5040 0.3480 0.2278 ( 6711 PWs) bands (ev): -23.6078 -23.6078 -21.8089 -21.8089 -21.7912 -21.7912 -21.6869 -21.6869 -20.9454 -20.9454 -20.8977 -20.8977 -19.1230 -19.1230 -14.3998 -14.3998 -8.9899 -8.9899 -7.3815 -7.3815 -5.6412 -5.6412 -5.4499 -5.4499 -5.3453 -5.3453 -5.2896 -5.2896 -4.9386 -4.9386 -4.7618 -4.7618 -3.2256 -3.2256 -3.1553 -3.1553 -3.1363 -3.1363 -2.6444 -2.6444 -2.5975 -2.5975 -1.9436 -1.9436 -1.8934 -1.8934 -1.7855 -1.7855 -1.7336 -1.7336 -1.6337 -1.6337 -1.5705 -1.5705 -1.0262 -1.0262 -0.8715 -0.8715 -0.8201 -0.8201 -0.0941 -0.0941 0.0811 0.0811 2.6802 2.6802 2.8352 2.8352 5.9830 5.9830 7.0511 7.0511 8.6720 8.6720 9.6514 9.6514 k = 0.5043 0.3482 0.2463 ( 6715 PWs) bands (ev): -23.6070 -23.6070 -21.8087 -21.8087 -21.7909 -21.7909 -21.6885 -21.6885 -20.9455 -20.9455 -20.8978 -20.8978 -19.1229 -19.1229 -14.3999 -14.3999 -8.9877 -8.9877 -7.3815 -7.3815 -5.6306 -5.6306 -5.4485 -5.4485 -5.3487 -5.3487 -5.2886 -5.2886 -4.9458 -4.9458 -4.7780 -4.7780 -3.2150 -3.2150 -3.1466 -3.1466 -3.1270 -3.1270 -2.6388 -2.6388 -2.5959 -2.5959 -1.9544 -1.9544 -1.8985 -1.8985 -1.7878 -1.7878 -1.7431 -1.7431 -1.6317 -1.6317 -1.5828 -1.5828 -1.0264 -1.0264 -0.8667 -0.8667 -0.8192 -0.8192 -0.0900 -0.0900 0.0803 0.0803 2.6827 2.6827 2.8334 2.8334 6.0085 6.0085 7.0381 7.0381 8.6537 8.6537 9.6885 9.6885 k = 0.5046 0.3484 0.2647 ( 6712 PWs) bands (ev): -23.6062 -23.6062 -21.8085 -21.8085 -21.7906 -21.7906 -21.6901 -21.6901 -20.9456 -20.9456 -20.8980 -20.8980 -19.1228 -19.1228 -14.4000 -14.4000 -8.9856 -8.9856 -7.3815 -7.3815 -5.6195 -5.6195 -5.4471 -5.4471 -5.3526 -5.3526 -5.2870 -5.2870 -4.9530 -4.9530 -4.7947 -4.7947 -3.2044 -3.2044 -3.1386 -3.1386 -3.1164 -3.1164 -2.6330 -2.6330 -2.5942 -2.5942 -1.9656 -1.9656 -1.9036 -1.9036 -1.7907 -1.7907 -1.7537 -1.7537 -1.6298 -1.6298 -1.5935 -1.5935 -1.0265 -1.0265 -0.8620 -0.8620 -0.8182 -0.8182 -0.0859 -0.0859 0.0795 0.0795 2.6852 2.6852 2.8315 2.8315 6.0350 6.0350 7.0244 7.0244 8.6356 8.6356 9.7249 9.7249 k = 0.5049 0.3486 0.2832 ( 6708 PWs) bands (ev): -23.6054 -23.6054 -21.8083 -21.8083 -21.7902 -21.7902 -21.6917 -21.6917 -20.9457 -20.9457 -20.8982 -20.8982 -19.1228 -19.1228 -14.4002 -14.4002 -8.9834 -8.9834 -7.3815 -7.3815 -5.6081 -5.6081 -5.4457 -5.4457 -5.3567 -5.3567 -5.2850 -5.2850 -4.9603 -4.9603 -4.8117 -4.8117 -3.1939 -3.1939 -3.1314 -3.1314 -3.1047 -3.1047 -2.6269 -2.6269 -2.5925 -2.5925 -1.9771 -1.9771 -1.9087 -1.9087 -1.7947 -1.7947 -1.7649 -1.7649 -1.6284 -1.6284 -1.6023 -1.6023 -1.0267 -1.0267 -0.8574 -0.8574 -0.8172 -0.8172 -0.0819 -0.0819 0.0786 0.0786 2.6878 2.6878 2.8298 2.8298 6.0622 6.0622 7.0099 7.0099 8.6176 8.6176 9.7601 9.7601 k = 0.5052 0.3488 0.3017 ( 6705 PWs) bands (ev): -23.6047 -23.6047 -21.8081 -21.8081 -21.7899 -21.7899 -21.6933 -21.6933 -20.9457 -20.9457 -20.8984 -20.8984 -19.1227 -19.1227 -14.4003 -14.4003 -8.9812 -8.9812 -7.3815 -7.3815 -5.5964 -5.5964 -5.4444 -5.4444 -5.3610 -5.3610 -5.2826 -5.2826 -4.9675 -4.9675 -4.8288 -4.8288 -3.1835 -3.1835 -3.1247 -3.1247 -3.0923 -3.0923 -2.6207 -2.6207 -2.5908 -2.5908 -1.9887 -1.9887 -1.9137 -1.9137 -1.8011 -1.8011 -1.7752 -1.7752 -1.6284 -1.6284 -1.6082 -1.6082 -1.0269 -1.0269 -0.8529 -0.8529 -0.8161 -0.8161 -0.0779 -0.0779 0.0778 0.0778 2.6904 2.6904 2.8280 2.8280 6.0901 6.0901 6.9947 6.9947 8.6000 8.6000 9.7935 9.7935 k = 0.5055 0.3490 0.3201 ( 6709 PWs) bands (ev): -23.6039 -23.6039 -21.8079 -21.8079 -21.7895 -21.7895 -21.6948 -21.6948 -20.9458 -20.9458 -20.8985 -20.8985 -19.1226 -19.1226 -14.4004 -14.4004 -8.9791 -8.9791 -7.3815 -7.3815 -5.5846 -5.5846 -5.4433 -5.4433 -5.3652 -5.3652 -5.2800 -5.2800 -4.9746 -4.9746 -4.8459 -4.8459 -3.1733 -3.1733 -3.1185 -3.1185 -3.0797 -3.0797 -2.6143 -2.6143 -2.5891 -2.5891 -2.0003 -2.0003 -1.9187 -1.9187 -1.8113 -1.8113 -1.7829 -1.7829 -1.6307 -1.6307 -1.6105 -1.6105 -1.0272 -1.0272 -0.8487 -0.8487 -0.8151 -0.8151 -0.0741 -0.0741 0.0771 0.0771 2.6929 2.6929 2.8264 2.8264 6.1182 6.1182 6.9790 6.9790 8.5829 8.5829 9.8247 9.8247 k = 0.5058 0.3492 0.3386 ( 6717 PWs) bands (ev): -23.6032 -23.6032 -21.8077 -21.8077 -21.7892 -21.7892 -21.6963 -21.6963 -20.9459 -20.9459 -20.8987 -20.8987 -19.1226 -19.1226 -14.4005 -14.4005 -8.9771 -8.9771 -7.3814 -7.3814 -5.5728 -5.5728 -5.4424 -5.4424 -5.3693 -5.3693 -5.2771 -5.2771 -4.9816 -4.9816 -4.8629 -4.8629 -3.1635 -3.1635 -3.1127 -3.1127 -3.0669 -3.0669 -2.6079 -2.6079 -2.5874 -2.5874 -2.0118 -2.0118 -1.9235 -1.9235 -1.8249 -1.8249 -1.7880 -1.7880 -1.6346 -1.6346 -1.6100 -1.6100 -1.0274 -1.0274 -0.8447 -0.8447 -0.8140 -0.8140 -0.0705 -0.0705 0.0763 0.0763 2.6953 2.6953 2.8248 2.8248 6.1465 6.1465 6.9628 6.9628 8.5665 8.5665 9.8532 9.8532 k = 0.5061 0.3494 0.3570 ( 6716 PWs) bands (ev): -23.6025 -23.6025 -21.8076 -21.8076 -21.7889 -21.7889 -21.6977 -21.6977 -20.9459 -20.9459 -20.8989 -20.8989 -19.1225 -19.1225 -14.4006 -14.4006 -8.9752 -8.9752 -7.3813 -7.3813 -5.5611 -5.5611 -5.4418 -5.4418 -5.3731 -5.3731 -5.2742 -5.2742 -4.9882 -4.9882 -4.8794 -4.8794 -3.1542 -3.1542 -3.1072 -3.1072 -3.0543 -3.0543 -2.6014 -2.6014 -2.5858 -2.5858 -2.0231 -2.0231 -1.9282 -1.9282 -1.8403 -1.8403 -1.7915 -1.7915 -1.6388 -1.6388 -1.6082 -1.6082 -1.0275 -1.0275 -0.8410 -0.8410 -0.8129 -0.8129 -0.0671 -0.0671 0.0756 0.0756 2.6977 2.6977 2.8233 2.8233 6.1746 6.1746 6.9462 6.9462 8.5510 8.5510 9.8789 9.8789 k = 0.5064 0.3497 0.3755 ( 6717 PWs) bands (ev): -23.6018 -23.6018 -21.8074 -21.8074 -21.7886 -21.7886 -21.6990 -21.6990 -20.9460 -20.9460 -20.8990 -20.8990 -19.1224 -19.1224 -14.4007 -14.4007 -8.9734 -8.9734 -7.3812 -7.3812 -5.5497 -5.5497 -5.4415 -5.4415 -5.3764 -5.3764 -5.2711 -5.2711 -4.9945 -4.9945 -4.8954 -4.8954 -3.1454 -3.1454 -3.1021 -3.1021 -3.0421 -3.0421 -2.5951 -2.5951 -2.5843 -2.5843 -2.0339 -2.0339 -1.9328 -1.9328 -1.8562 -1.8562 -1.7943 -1.7943 -1.6427 -1.6427 -1.6059 -1.6059 -1.0277 -1.0277 -0.8377 -0.8377 -0.8117 -0.8117 -0.0639 -0.0639 0.0749 0.0749 2.6999 2.6999 2.8219 2.8219 6.2023 6.2023 6.9294 6.9294 8.5364 8.5364 9.9015 9.9015 k = 0.5067 0.3499 0.3940 ( 6722 PWs) bands (ev): -23.6012 -23.6012 -21.8073 -21.8073 -21.7883 -21.7883 -21.7003 -21.7003 -20.9461 -20.9461 -20.8992 -20.8992 -19.1224 -19.1224 -14.4008 -14.4008 -8.9717 -8.9717 -7.3811 -7.3811 -5.5388 -5.5388 -5.4418 -5.4418 -5.3792 -5.3792 -5.2680 -5.2680 -5.0004 -5.0004 -4.9105 -4.9105 -3.1373 -3.1373 -3.0975 -3.0975 -3.0305 -3.0305 -2.5889 -2.5889 -2.5829 -2.5829 -2.0442 -2.0442 -1.9371 -1.9371 -1.8718 -1.8718 -1.7967 -1.7967 -1.6461 -1.6461 -1.6035 -1.6035 -1.0279 -1.0279 -0.8347 -0.8347 -0.8105 -0.8105 -0.0610 -0.0610 0.0742 0.0742 2.7020 2.7020 2.8207 2.8207 6.2292 6.2292 6.9126 6.9126 8.5230 8.5230 9.9211 9.9211 k = 0.5070 0.3501 0.4124 ( 6722 PWs) bands (ev): -23.6006 -23.6006 -21.8072 -21.8072 -21.7881 -21.7881 -21.7014 -21.7014 -20.9461 -20.9461 -20.8993 -20.8993 -19.1223 -19.1223 -14.4009 -14.4009 -8.9702 -8.9702 -7.3810 -7.3810 -5.5284 -5.5284 -5.4425 -5.4425 -5.3813 -5.3813 -5.2650 -5.2650 -5.0059 -5.0059 -4.9246 -4.9246 -3.1299 -3.1299 -3.0933 -3.0933 -3.0197 -3.0197 -2.5831 -2.5831 -2.5815 -2.5815 -2.0537 -2.0537 -1.9412 -1.9412 -1.8865 -1.8865 -1.7987 -1.7987 -1.6490 -1.6490 -1.6012 -1.6012 -1.0280 -1.0280 -0.8322 -0.8322 -0.8093 -0.8093 -0.0584 -0.0584 0.0736 0.0736 2.7039 2.7039 2.8196 2.8196 6.2549 6.2549 6.8961 6.8961 8.5109 8.5109 9.9378 9.9378 k = 0.5073 0.3503 0.4309 ( 6723 PWs) bands (ev): -23.6002 -23.6002 -21.8070 -21.8070 -21.7878 -21.7878 -21.7023 -21.7023 -20.9462 -20.9462 -20.8994 -20.8994 -19.1223 -19.1223 -14.4009 -14.4009 -8.9689 -8.9689 -7.3809 -7.3809 -5.5188 -5.5188 -5.4438 -5.4438 -5.3829 -5.3829 -5.2621 -5.2621 -5.0108 -5.0108 -4.9374 -4.9374 -3.1233 -3.1233 -3.0896 -3.0896 -3.0100 -3.0100 -2.5805 -2.5805 -2.5776 -2.5776 -2.0623 -2.0623 -1.9450 -1.9450 -1.8999 -1.8999 -1.8004 -1.8004 -1.6515 -1.6515 -1.5990 -1.5990 -1.0281 -1.0281 -0.8302 -0.8302 -0.8082 -0.8082 -0.0561 -0.0561 0.0731 0.0731 2.7056 2.7056 2.8186 2.8186 6.2790 6.2790 6.8802 6.8802 8.5001 8.5001 9.9516 9.9516 k = 0.5076 0.3505 0.4494 ( 6721 PWs) bands (ev): -23.5997 -23.5997 -21.8069 -21.8069 -21.7876 -21.7876 -21.7032 -21.7032 -20.9462 -20.9462 -20.8995 -20.8995 -19.1223 -19.1223 -14.4010 -14.4010 -8.9678 -8.9678 -7.3808 -7.3808 -5.5102 -5.5102 -5.4455 -5.4455 -5.3838 -5.3838 -5.2593 -5.2593 -5.0151 -5.0151 -4.9485 -4.9485 -3.1176 -3.1176 -3.0864 -3.0864 -3.0016 -3.0016 -2.5795 -2.5795 -2.5727 -2.5727 -2.0699 -2.0699 -1.9487 -1.9487 -1.9113 -1.9113 -1.8019 -1.8019 -1.6535 -1.6535 -1.5971 -1.5971 -1.0282 -1.0282 -0.8285 -0.8285 -0.8070 -0.8070 -0.0542 -0.0542 0.0726 0.0726 2.7072 2.7072 2.8177 2.8177 6.3010 6.3010 6.8652 6.8652 8.4908 8.4908 9.9626 9.9626 k = 0.5079 0.3507 0.4678 ( 6721 PWs) bands (ev): -23.5994 -23.5994 -21.8069 -21.8069 -21.7875 -21.7875 -21.7039 -21.7039 -20.9462 -20.9462 -20.8996 -20.8996 -19.1222 -19.1222 -14.4010 -14.4010 -8.9669 -8.9669 -7.3807 -7.3807 -5.5029 -5.5029 -5.4475 -5.4475 -5.3842 -5.3842 -5.2569 -5.2569 -5.0188 -5.0188 -4.9578 -4.9578 -3.1128 -3.1128 -3.0838 -3.0838 -2.9945 -2.9945 -2.5787 -2.5787 -2.5686 -2.5686 -2.0763 -2.0763 -1.9523 -1.9523 -1.9205 -1.9205 -1.8030 -1.8030 -1.6552 -1.6552 -1.5956 -1.5956 -1.0282 -1.0282 -0.8272 -0.8272 -0.8061 -0.8061 -0.0526 -0.0526 0.0722 0.0722 2.7085 2.7085 2.8170 2.8170 6.3203 6.3203 6.8518 6.8518 8.4831 8.4831 9.9712 9.9712 k = 0.5082 0.3509 0.4863 ( 6726 PWs) bands (ev): -23.5991 -23.5991 -21.8068 -21.8068 -21.7874 -21.7874 -21.7044 -21.7044 -20.9463 -20.9463 -20.8996 -20.8996 -19.1222 -19.1222 -14.4011 -14.4011 -8.9661 -8.9661 -7.3805 -7.3805 -5.4971 -5.4971 -5.4494 -5.4494 -5.3842 -5.3842 -5.2549 -5.2549 -5.0218 -5.0218 -4.9650 -4.9650 -3.1090 -3.1090 -3.0817 -3.0817 -2.9890 -2.9890 -2.5780 -2.5780 -2.5654 -2.5654 -2.0814 -2.0814 -1.9555 -1.9555 -1.9273 -1.9273 -1.8039 -1.8039 -1.6564 -1.6564 -1.5943 -1.5943 -1.0282 -1.0282 -0.8263 -0.8263 -0.8053 -0.8053 -0.0514 -0.0514 0.0718 0.0718 2.7095 2.7095 2.8164 2.8164 6.3363 6.3363 6.8403 6.8403 8.4771 8.4771 9.9774 9.9774 k = 0.5085 0.3511 0.5047 ( 6722 PWs) bands (ev): -23.5990 -23.5990 -21.8068 -21.8068 -21.7873 -21.7873 -21.7047 -21.7047 -20.9463 -20.9463 -20.8997 -20.8997 -19.1222 -19.1222 -14.4011 -14.4011 -8.9656 -8.9656 -7.3804 -7.3804 -5.4933 -5.4933 -5.4509 -5.4509 -5.3841 -5.3841 -5.2534 -5.2534 -5.0239 -5.0239 -4.9698 -4.9698 -3.1062 -3.1062 -3.0803 -3.0803 -2.9852 -2.9852 -2.5776 -2.5776 -2.5632 -2.5632 -2.0849 -2.0849 -1.9581 -1.9581 -1.9318 -1.9318 -1.8045 -1.8045 -1.6573 -1.6573 -1.5935 -1.5935 -1.0281 -1.0281 -0.8256 -0.8256 -0.8047 -0.8047 -0.0506 -0.0506 0.0715 0.0715 2.7104 2.7104 2.8160 2.8160 6.3484 6.3484 6.8315 6.8315 8.4727 8.4727 9.9813 9.9813 k = 0.5088 0.3513 0.5232 ( 6716 PWs) bands (ev): -23.5989 -23.5989 -21.8067 -21.8067 -21.7872 -21.7872 -21.7049 -21.7049 -20.9463 -20.9463 -20.8997 -20.8997 -19.1222 -19.1222 -14.4011 -14.4011 -8.9654 -8.9654 -7.3803 -7.3803 -5.4920 -5.4920 -5.4515 -5.4515 -5.3838 -5.3838 -5.2524 -5.2524 -5.0251 -5.0251 -4.9722 -4.9722 -3.1045 -3.1045 -3.0795 -3.0795 -2.9832 -2.9832 -2.5774 -2.5774 -2.5621 -2.5621 -2.0868 -2.0868 -1.9596 -1.9596 -1.9341 -1.9341 -1.8048 -1.8048 -1.6579 -1.6579 -1.5931 -1.5931 -1.0280 -1.0280 -0.8253 -0.8253 -0.8043 -0.8043 -0.0501 -0.0501 0.0712 0.0712 2.7109 2.7109 2.8157 2.8157 6.3559 6.3559 6.8258 6.8258 8.4701 8.4701 9.9832 9.9832 k = 0.5088 0.3513 0.5232 ( 6716 PWs) bands (ev): -23.5989 -23.5989 -21.8067 -21.8067 -21.7872 -21.7872 -21.7049 -21.7049 -20.9463 -20.9463 -20.8997 -20.8997 -19.1222 -19.1222 -14.4011 -14.4011 -8.9654 -8.9654 -7.3803 -7.3803 -5.4920 -5.4920 -5.4515 -5.4515 -5.3838 -5.3838 -5.2524 -5.2524 -5.0251 -5.0251 -4.9722 -4.9722 -3.1045 -3.1045 -3.0795 -3.0795 -2.9832 -2.9832 -2.5774 -2.5774 -2.5621 -2.5621 -2.0868 -2.0868 -1.9596 -1.9596 -1.9341 -1.9341 -1.8048 -1.8048 -1.6579 -1.6579 -1.5931 -1.5931 -1.0280 -1.0280 -0.8253 -0.8253 -0.8043 -0.8043 -0.0501 -0.0501 0.0712 0.0712 2.7109 2.7109 2.8157 2.8157 6.3559 6.3559 6.8258 6.8258 8.4701 8.4701 9.9832 9.9832 k = 0.5000 0.3452 0.5354 ( 6708 PWs) bands (ev): -23.5988 -23.5988 -21.8068 -21.8068 -21.7872 -21.7872 -21.7050 -21.7050 -20.9463 -20.9463 -20.8997 -20.8997 -19.1222 -19.1222 -14.4012 -14.4012 -8.9652 -8.9652 -7.3801 -7.3801 -5.4921 -5.4921 -5.4514 -5.4514 -5.3835 -5.3835 -5.2525 -5.2525 -5.0256 -5.0256 -4.9726 -4.9726 -3.1036 -3.1036 -3.0793 -3.0793 -2.9827 -2.9827 -2.5772 -2.5772 -2.5618 -2.5618 -2.0876 -2.0876 -1.9602 -1.9602 -1.9348 -1.9348 -1.8049 -1.8049 -1.6581 -1.6581 -1.5931 -1.5931 -1.0279 -1.0279 -0.8252 -0.8252 -0.8042 -0.8042 -0.0498 -0.0498 0.0712 0.0712 2.7109 2.7109 2.8155 2.8155 6.3583 6.3583 6.8239 6.8239 8.4691 8.4691 9.9826 9.9826 k = 0.5000 0.3452 0.5354 ( 6708 PWs) bands (ev): -23.5988 -23.5988 -21.8068 -21.8068 -21.7872 -21.7872 -21.7050 -21.7050 -20.9463 -20.9463 -20.8997 -20.8997 -19.1222 -19.1222 -14.4012 -14.4012 -8.9652 -8.9652 -7.3801 -7.3801 -5.4921 -5.4921 -5.4514 -5.4514 -5.3835 -5.3835 -5.2525 -5.2525 -5.0256 -5.0256 -4.9726 -4.9726 -3.1036 -3.1036 -3.0793 -3.0793 -2.9827 -2.9827 -2.5772 -2.5772 -2.5618 -2.5618 -2.0876 -2.0876 -1.9602 -1.9602 -1.9348 -1.9348 -1.8049 -1.8049 -1.6581 -1.6581 -1.5931 -1.5931 -1.0279 -1.0279 -0.8252 -0.8252 -0.8042 -0.8042 -0.0498 -0.0498 0.0712 0.0712 2.7109 2.7109 2.8155 2.8155 6.3583 6.3583 6.8239 6.8239 8.4691 8.4691 9.9826 9.9826 k = 0.5104 0.3302 0.5354 ( 6718 PWs) bands (ev): -23.5988 -23.5988 -21.8067 -21.8067 -21.7872 -21.7872 -21.7050 -21.7050 -20.9463 -20.9463 -20.8997 -20.8997 -19.1222 -19.1222 -14.4011 -14.4011 -8.9653 -8.9653 -7.3803 -7.3803 -5.4922 -5.4922 -5.4514 -5.4514 -5.3838 -5.3838 -5.2526 -5.2526 -5.0247 -5.0247 -4.9721 -4.9721 -3.1040 -3.1040 -3.0801 -3.0801 -2.9830 -2.9830 -2.5778 -2.5778 -2.5619 -2.5619 -2.0867 -2.0867 -1.9597 -1.9597 -1.9344 -1.9344 -1.8046 -1.8046 -1.6580 -1.6580 -1.5930 -1.5930 -1.0279 -1.0279 -0.8252 -0.8252 -0.8043 -0.8043 -0.0500 -0.0500 0.0705 0.0705 2.7113 2.7113 2.8157 2.8157 6.3587 6.3587 6.8237 6.8237 8.4693 8.4693 9.9840 9.9840 k = 0.5208 0.3151 0.5354 ( 6718 PWs) bands (ev): -23.5989 -23.5989 -21.8067 -21.8067 -21.7871 -21.7871 -21.7050 -21.7050 -20.9464 -20.9464 -20.8997 -20.8997 -19.1222 -19.1222 -14.4011 -14.4011 -8.9653 -8.9653 -7.3809 -7.3809 -5.4927 -5.4927 -5.4514 -5.4514 -5.3848 -5.3848 -5.2527 -5.2527 -5.0221 -5.0221 -4.9707 -4.9707 -3.1054 -3.1054 -3.0827 -3.0827 -2.9839 -2.9839 -2.5798 -2.5798 -2.5622 -2.5622 -2.0841 -2.0841 -1.9583 -1.9583 -1.9332 -1.9332 -1.8039 -1.8039 -1.6578 -1.6578 -1.5928 -1.5928 -1.0278 -1.0278 -0.8254 -0.8254 -0.8045 -0.8045 -0.0506 -0.0506 0.0685 0.0685 2.7125 2.7125 2.8163 2.8163 6.3599 6.3599 6.8228 6.8228 8.4700 8.4700 9.9881 9.9881 k = 0.5312 0.3001 0.5354 ( 6716 PWs) bands (ev): -23.5989 -23.5989 -21.8066 -21.8066 -21.7870 -21.7870 -21.7050 -21.7050 -20.9466 -20.9466 -20.8996 -20.8996 -19.1222 -19.1222 -14.4009 -14.4009 -8.9655 -8.9655 -7.3819 -7.3819 -5.4936 -5.4936 -5.4513 -5.4513 -5.3862 -5.3862 -5.2529 -5.2529 -5.0178 -5.0178 -4.9684 -4.9684 -3.1076 -3.1076 -3.0868 -3.0868 -2.9853 -2.9853 -2.5830 -2.5830 -2.5626 -2.5626 -2.0797 -2.0797 -1.9559 -1.9559 -1.9311 -1.9311 -1.8027 -1.8027 -1.6575 -1.6575 -1.5924 -1.5924 -1.0277 -1.0277 -0.8257 -0.8257 -0.8048 -0.8048 -0.0516 -0.0516 0.0651 0.0651 2.7145 2.7145 2.8174 2.8174 6.3620 6.3620 6.8215 6.8215 8.4712 8.4712 9.9951 9.9951 k = 0.5416 0.2850 0.5354 ( 6720 PWs) bands (ev): -23.5990 -23.5990 -21.8065 -21.8065 -21.7869 -21.7869 -21.7050 -21.7050 -20.9468 -20.9468 -20.8995 -20.8995 -19.1222 -19.1222 -14.4008 -14.4008 -8.9656 -8.9656 -7.3833 -7.3833 -5.4948 -5.4948 -5.4511 -5.4511 -5.3881 -5.3881 -5.2532 -5.2532 -5.0119 -5.0119 -4.9651 -4.9651 -3.1109 -3.1109 -3.0923 -3.0923 -2.9873 -2.9873 -2.5874 -2.5874 -2.5633 -2.5633 -2.0737 -2.0737 -1.9527 -1.9527 -1.9282 -1.9282 -1.8012 -1.8012 -1.6570 -1.6570 -1.5918 -1.5918 -1.0276 -1.0276 -0.8262 -0.8262 -0.8052 -0.8052 -0.0531 -0.0531 0.0605 0.0605 2.7172 2.7172 2.8188 2.8188 6.3648 6.3648 6.8196 6.8196 8.4728 8.4728 10.0048 10.0048 k = 0.5520 0.2700 0.5354 ( 6714 PWs) bands (ev): -23.5991 -23.5991 -21.8064 -21.8064 -21.7866 -21.7866 -21.7050 -21.7050 -20.9471 -20.9471 -20.8994 -20.8994 -19.1221 -19.1221 -14.4006 -14.4006 -8.9658 -8.9658 -7.3850 -7.3850 -5.4965 -5.4965 -5.4508 -5.4508 -5.3904 -5.3904 -5.2535 -5.2535 -5.0046 -5.0046 -4.9610 -4.9610 -3.1152 -3.1152 -3.0989 -3.0989 -2.9898 -2.9898 -2.5929 -2.5929 -2.5641 -2.5641 -2.0663 -2.0663 -1.9487 -1.9487 -1.9246 -1.9246 -1.7992 -1.7992 -1.6564 -1.6564 -1.5911 -1.5911 -1.0275 -1.0275 -0.8267 -0.8267 -0.8057 -0.8057 -0.0550 -0.0550 0.0546 0.0546 2.7208 2.7208 2.8206 2.8206 6.3684 6.3684 6.8171 6.8171 8.4748 8.4748 10.0173 10.0173 k = 0.5623 0.2549 0.5354 ( 6722 PWs) bands (ev): -23.5993 -23.5993 -21.8063 -21.8063 -21.7864 -21.7864 -21.7051 -21.7051 -20.9474 -20.9474 -20.8993 -20.8993 -19.1221 -19.1221 -14.4003 -14.4003 -8.9661 -8.9661 -7.3872 -7.3872 -5.4985 -5.4985 -5.4503 -5.4503 -5.3929 -5.3929 -5.2539 -5.2539 -4.9962 -4.9962 -4.9562 -4.9562 -3.1210 -3.1210 -3.1061 -3.1061 -2.9927 -2.9927 -2.5994 -2.5994 -2.5651 -2.5651 -2.0575 -2.0575 -1.9440 -1.9440 -1.9201 -1.9201 -1.7970 -1.7970 -1.6556 -1.6556 -1.5902 -1.5902 -1.0273 -1.0273 -0.8274 -0.8274 -0.8064 -0.8064 -0.0574 -0.0574 0.0476 0.0476 2.7251 2.7251 2.8228 2.8228 6.3727 6.3727 6.8141 6.8141 8.4773 8.4773 10.0326 10.0326 k = 0.5727 0.2399 0.5354 ( 6728 PWs) bands (ev): -23.5995 -23.5995 -21.8061 -21.8061 -21.7861 -21.7861 -21.7051 -21.7051 -20.9479 -20.9479 -20.8992 -20.8992 -19.1221 -19.1221 -14.4000 -14.4000 -8.9665 -8.9665 -7.3896 -7.3896 -5.5010 -5.5010 -5.4496 -5.4496 -5.3955 -5.3955 -5.2543 -5.2543 -4.9867 -4.9867 -4.9506 -4.9506 -3.1286 -3.1286 -3.1133 -3.1133 -2.9962 -2.9962 -2.6067 -2.6067 -2.5662 -2.5662 -2.0475 -2.0475 -1.9388 -1.9388 -1.9149 -1.9149 -1.7945 -1.7945 -1.6548 -1.6548 -1.5891 -1.5891 -1.0271 -1.0271 -0.8282 -0.8282 -0.8071 -0.8071 -0.0602 -0.0602 0.0395 0.0395 2.7301 2.7301 2.8253 2.8253 6.3777 6.3777 6.8106 6.8106 8.4802 8.4802 10.0506 10.0506 k = 0.5831 0.2248 0.5354 ( 6732 PWs) bands (ev): -23.5997 -23.5997 -21.8059 -21.8059 -21.7857 -21.7857 -21.7052 -21.7052 -20.9483 -20.9483 -20.8990 -20.8990 -19.1221 -19.1221 -14.3997 -14.3997 -8.9669 -8.9669 -7.3924 -7.3924 -5.5038 -5.5038 -5.4488 -5.4488 -5.3980 -5.3980 -5.2548 -5.2548 -4.9764 -4.9764 -4.9443 -4.9443 -3.1380 -3.1380 -3.1202 -3.1202 -3.0000 -3.0000 -2.6148 -2.6148 -2.5674 -2.5674 -2.0366 -2.0366 -1.9331 -1.9331 -1.9089 -1.9089 -1.7918 -1.7918 -1.6538 -1.6538 -1.5877 -1.5877 -1.0268 -1.0268 -0.8291 -0.8291 -0.8079 -0.8079 -0.0636 -0.0636 0.0305 0.0305 2.7359 2.7359 2.8282 2.8282 6.3835 6.3835 6.8066 6.8066 8.4835 8.4835 10.0715 10.0715 k = 0.5935 0.2098 0.5354 ( 6732 PWs) bands (ev): -23.5999 -23.5999 -21.8056 -21.8056 -21.7853 -21.7853 -21.7053 -21.7053 -20.9488 -20.9488 -20.8988 -20.8988 -19.1221 -19.1221 -14.3993 -14.3993 -8.9675 -8.9675 -7.3955 -7.3955 -5.5070 -5.5070 -5.4479 -5.4479 -5.4002 -5.4002 -5.2553 -5.2553 -4.9658 -4.9658 -4.9372 -4.9372 -3.1490 -3.1490 -3.1268 -3.1268 -3.0042 -3.0042 -2.6234 -2.6234 -2.5688 -2.5688 -2.0248 -2.0248 -1.9272 -1.9272 -1.9021 -1.9021 -1.7890 -1.7890 -1.6528 -1.6528 -1.5861 -1.5861 -1.0264 -1.0264 -0.8301 -0.8301 -0.8089 -0.8089 -0.0675 -0.0675 0.0206 0.0206 2.7424 2.7424 2.8314 2.8314 6.3899 6.3899 6.8020 6.8020 8.4872 8.4872 10.0952 10.0952 k = 0.6039 0.1947 0.5354 ( 6732 PWs) bands (ev): -23.6001 -23.6001 -21.8054 -21.8054 -21.7849 -21.7849 -21.7053 -21.7053 -20.9494 -20.9494 -20.8986 -20.8986 -19.1220 -19.1220 -14.3989 -14.3989 -8.9681 -8.9681 -7.3989 -7.3989 -5.5104 -5.5104 -5.4471 -5.4471 -5.4019 -5.4019 -5.2558 -5.2558 -4.9550 -4.9550 -4.9293 -4.9293 -3.1610 -3.1610 -3.1334 -3.1334 -3.0086 -3.0086 -2.6325 -2.6325 -2.5703 -2.5703 -2.0124 -2.0124 -1.9210 -1.9210 -1.8946 -1.8946 -1.7862 -1.7862 -1.6518 -1.6518 -1.5842 -1.5842 -1.0260 -1.0260 -0.8312 -0.8312 -0.8099 -0.8099 -0.0720 -0.0720 0.0102 0.0102 2.7496 2.7496 2.8349 2.8349 6.3969 6.3969 6.7970 6.7970 8.4912 8.4912 10.1217 10.1217 k = 0.6143 0.1797 0.5354 ( 6740 PWs) bands (ev): -23.6004 -23.6004 -21.8051 -21.8051 -21.7844 -21.7844 -21.7054 -21.7054 -20.9499 -20.9499 -20.8984 -20.8984 -19.1220 -19.1220 -14.3984 -14.3984 -8.9688 -8.9688 -7.4026 -7.4026 -5.5139 -5.5139 -5.4465 -5.4465 -5.4029 -5.4029 -5.2563 -5.2563 -4.9445 -4.9445 -4.9206 -4.9206 -3.1736 -3.1736 -3.1400 -3.1400 -3.0134 -3.0134 -2.6418 -2.6418 -2.5719 -2.5719 -1.9996 -1.9996 -1.9148 -1.9148 -1.8865 -1.8865 -1.7835 -1.7835 -1.6507 -1.6507 -1.5821 -1.5821 -1.0254 -1.0254 -0.8324 -0.8324 -0.8109 -0.8109 -0.0771 -0.0771 -0.0007 -0.0007 2.7575 2.7575 2.8387 2.8387 6.4045 6.4045 6.7915 6.7915 8.4956 8.4956 10.1509 10.1509 k = 0.6247 0.1646 0.5354 ( 6742 PWs) bands (ev): -23.6007 -23.6007 -21.8048 -21.8048 -21.7839 -21.7839 -21.7055 -21.7055 -20.9506 -20.9506 -20.8982 -20.8982 -19.1220 -19.1220 -14.3979 -14.3979 -8.9696 -8.9696 -7.4065 -7.4065 -5.5175 -5.5175 -5.4462 -5.4462 -5.4030 -5.4030 -5.2569 -5.2569 -4.9347 -4.9347 -4.9109 -4.9109 -3.1866 -3.1866 -3.1467 -3.1467 -3.0184 -3.0184 -2.6513 -2.6513 -2.5735 -2.5735 -1.9865 -1.9865 -1.9085 -1.9085 -1.8779 -1.8779 -1.7807 -1.7807 -1.6495 -1.6495 -1.5798 -1.5798 -1.0248 -1.0248 -0.8337 -0.8337 -0.8120 -0.8120 -0.0830 -0.0830 -0.0119 -0.0119 2.7660 2.7660 2.8427 2.8427 6.4126 6.4126 6.7855 6.7855 8.5003 8.5003 10.1829 10.1829 k = 0.6351 0.1496 0.5354 ( 6742 PWs) bands (ev): -23.6010 -23.6010 -21.8045 -21.8045 -21.7833 -21.7833 -21.7057 -21.7057 -20.9512 -20.9512 -20.8980 -20.8980 -19.1220 -19.1220 -14.3974 -14.3974 -8.9706 -8.9706 -7.4107 -7.4107 -5.5211 -5.5211 -5.4464 -5.4464 -5.4021 -5.4021 -5.2575 -5.2575 -4.9257 -4.9257 -4.9003 -4.9003 -3.1997 -3.1997 -3.1535 -3.1535 -3.0235 -3.0235 -2.6609 -2.6609 -2.5752 -2.5752 -1.9733 -1.9733 -1.9021 -1.9021 -1.8689 -1.8689 -1.7780 -1.7780 -1.6484 -1.6484 -1.5773 -1.5773 -1.0241 -1.0241 -0.8351 -0.8351 -0.8132 -0.8132 -0.0897 -0.0897 -0.0231 -0.0231 2.7750 2.7750 2.8470 2.8470 6.4213 6.4213 6.7791 6.7791 8.5053 8.5053 10.2177 10.2177 k = 0.3649-0.5285 0.5476 ( 6742 PWs) bands (ev): -23.6010 -23.6010 -21.8045 -21.8045 -21.7833 -21.7833 -21.7057 -21.7057 -20.9512 -20.9512 -20.8980 -20.8980 -19.1220 -19.1220 -14.3974 -14.3974 -8.9706 -8.9706 -7.4107 -7.4107 -5.5211 -5.5211 -5.4464 -5.4464 -5.4021 -5.4021 -5.2575 -5.2575 -4.9257 -4.9257 -4.9003 -4.9003 -3.1997 -3.1997 -3.1535 -3.1535 -3.0235 -3.0235 -2.6609 -2.6609 -2.5752 -2.5752 -1.9733 -1.9733 -1.9021 -1.9021 -1.8689 -1.8689 -1.7780 -1.7780 -1.6484 -1.6484 -1.5773 -1.5773 -1.0241 -1.0241 -0.8351 -0.8351 -0.8132 -0.8132 -0.0897 -0.0897 -0.0231 -0.0231 2.7750 2.7750 2.8470 2.8470 6.4213 6.4213 6.7791 6.7791 8.5053 8.5053 10.2177 10.2177 k = 0.3545-0.5134 0.5476 ( 6738 PWs) bands (ev): -23.6013 -23.6013 -21.8041 -21.8041 -21.7827 -21.7827 -21.7058 -21.7058 -20.9519 -20.9519 -20.8978 -20.8978 -19.1220 -19.1220 -14.3968 -14.3968 -8.9717 -8.9717 -7.4151 -7.4151 -5.5247 -5.5247 -5.4469 -5.4469 -5.4002 -5.4002 -5.2581 -5.2581 -4.9175 -4.9175 -4.8892 -4.8892 -3.2126 -3.2126 -3.1603 -3.1603 -3.0288 -3.0288 -2.6704 -2.6704 -2.5768 -2.5768 -1.9602 -1.9602 -1.8957 -1.8957 -1.8597 -1.8597 -1.7754 -1.7754 -1.6473 -1.6473 -1.5746 -1.5746 -1.0232 -1.0232 -0.8365 -0.8365 -0.8145 -0.8145 -0.0974 -0.0974 -0.0342 -0.0342 2.7846 2.7846 2.8515 2.8515 6.4304 6.4304 6.7723 6.7723 8.5105 8.5105 10.2553 10.2553 k = 0.3441-0.4983 0.5476 ( 6736 PWs) bands (ev): -23.6016 -23.6016 -21.8038 -21.8038 -21.7821 -21.7821 -21.7059 -21.7059 -20.9525 -20.9525 -20.8975 -20.8975 -19.1219 -19.1219 -14.3962 -14.3962 -8.9730 -8.9730 -7.4196 -7.4196 -5.5281 -5.5281 -5.4478 -5.4478 -5.3975 -5.3975 -5.2588 -5.2588 -4.9099 -4.9099 -4.8779 -4.8779 -3.2252 -3.2252 -3.1671 -3.1671 -3.0342 -3.0342 -2.6797 -2.6797 -2.5785 -2.5785 -1.9474 -1.9474 -1.8891 -1.8891 -1.8504 -1.8504 -1.7727 -1.7727 -1.6462 -1.6462 -1.5717 -1.5717 -1.0222 -1.0222 -0.8380 -0.8380 -0.8157 -0.8157 -0.1060 -0.1060 -0.0448 -0.0448 2.7947 2.7947 2.8563 2.8563 6.4399 6.4399 6.7651 6.7651 8.5160 8.5160 10.2955 10.2955 k = 0.3336-0.4832 0.5476 ( 6734 PWs) bands (ev): -23.6020 -23.6020 -21.8034 -21.8034 -21.7815 -21.7815 -21.7061 -21.7061 -20.9532 -20.9532 -20.8972 -20.8972 -19.1219 -19.1219 -14.3955 -14.3955 -8.9743 -8.9743 -7.4243 -7.4243 -5.5314 -5.5314 -5.4489 -5.4489 -5.3939 -5.3939 -5.2595 -5.2595 -4.9030 -4.9030 -4.8667 -4.8667 -3.2372 -3.2372 -3.1738 -3.1738 -3.0397 -3.0397 -2.6887 -2.6887 -2.5802 -2.5802 -1.9351 -1.9351 -1.8823 -1.8823 -1.8414 -1.8414 -1.7699 -1.7699 -1.6453 -1.6453 -1.5688 -1.5688 -1.0211 -1.0211 -0.8395 -0.8395 -0.8170 -0.8170 -0.1155 -0.1155 -0.0550 -0.0550 2.8050 2.8050 2.8614 2.8614 6.4497 6.4497 6.7576 6.7576 8.5216 8.5216 10.3381 10.3381 k = 0.3232-0.4681 0.5476 ( 6736 PWs) bands (ev): -23.6024 -23.6024 -21.8030 -21.8030 -21.7808 -21.7808 -21.7062 -21.7062 -20.9539 -20.9539 -20.8970 -20.8970 -19.1219 -19.1219 -14.3949 -14.3949 -8.9759 -8.9759 -7.4291 -7.4291 -5.5343 -5.5343 -5.4500 -5.4500 -5.3896 -5.3896 -5.2602 -5.2602 -4.8965 -4.8965 -4.8560 -4.8560 -3.2485 -3.2485 -3.1802 -3.1802 -3.0451 -3.0451 -2.6973 -2.6973 -2.5818 -2.5818 -1.9238 -1.9238 -1.8752 -1.8752 -1.8329 -1.8329 -1.7668 -1.7668 -1.6444 -1.6444 -1.5659 -1.5659 -1.0199 -1.0199 -0.8411 -0.8411 -0.8183 -0.8183 -0.1259 -0.1259 -0.0646 -0.0646 2.8155 2.8155 2.8670 2.8670 6.4599 6.4599 6.7498 6.7498 8.5273 8.5273 10.3825 10.3825 k = 0.3128-0.4530 0.5476 ( 6736 PWs) bands (ev): -23.6028 -23.6028 -21.8025 -21.8025 -21.7801 -21.7801 -21.7064 -21.7064 -20.9546 -20.9546 -20.8967 -20.8967 -19.1219 -19.1219 -14.3942 -14.3942 -8.9776 -8.9776 -7.4341 -7.4341 -5.5370 -5.5370 -5.4511 -5.4511 -5.3848 -5.3848 -5.2610 -5.2610 -4.8906 -4.8906 -4.8459 -4.8459 -3.2589 -3.2589 -3.1865 -3.1865 -3.0505 -3.0505 -2.7053 -2.7053 -2.5834 -2.5834 -1.9135 -1.9135 -1.8675 -1.8675 -1.8251 -1.8251 -1.7633 -1.7633 -1.6436 -1.6436 -1.5631 -1.5631 -1.0185 -1.0185 -0.8426 -0.8426 -0.8196 -0.8196 -0.1370 -0.1370 -0.0737 -0.0737 2.8260 2.8260 2.8731 2.8731 6.4703 6.4703 6.7418 6.7418 8.5331 8.5331 10.4259 10.4259 k = 0.3024-0.4379 0.5476 ( 6730 PWs) bands (ev): -23.6032 -23.6032 -21.8020 -21.8020 -21.7794 -21.7794 -21.7066 -21.7066 -20.9553 -20.9553 -20.8964 -20.8964 -19.1219 -19.1219 -14.3934 -14.3934 -8.9795 -8.9795 -7.4391 -7.4391 -5.5394 -5.5394 -5.4520 -5.4520 -5.3795 -5.3795 -5.2618 -5.2618 -4.8852 -4.8852 -4.8368 -4.8368 -3.2683 -3.2683 -3.1924 -3.1924 -3.0559 -3.0559 -2.7128 -2.7128 -2.5849 -2.5849 -1.9046 -1.9046 -1.8592 -1.8592 -1.8185 -1.8185 -1.7590 -1.7590 -1.6430 -1.6430 -1.5605 -1.5605 -1.0169 -1.0169 -0.8441 -0.8441 -0.8209 -0.8209 -0.1485 -0.1485 -0.0824 -0.0824 2.8359 2.8359 2.8801 2.8801 6.4808 6.4808 6.7337 6.7337 8.5389 8.5389 10.4520 10.4520 k = 0.2919-0.4228 0.5476 ( 6734 PWs) bands (ev): -23.6037 -23.6037 -21.8016 -21.8016 -21.7787 -21.7787 -21.7068 -21.7068 -20.9559 -20.9559 -20.8962 -20.8962 -19.1220 -19.1220 -14.3927 -14.3927 -8.9815 -8.9815 -7.4441 -7.4441 -5.5413 -5.5413 -5.4528 -5.4528 -5.3739 -5.3739 -5.2627 -5.2627 -4.8804 -4.8804 -4.8286 -4.8286 -3.2765 -3.2765 -3.1980 -3.1980 -3.0612 -3.0612 -2.7195 -2.7195 -2.5863 -2.5863 -1.8970 -1.8970 -1.8503 -1.8503 -1.8130 -1.8130 -1.7540 -1.7540 -1.6425 -1.6425 -1.5580 -1.5580 -1.0152 -1.0152 -0.8457 -0.8457 -0.8222 -0.8222 -0.1601 -0.1601 -0.0907 -0.0907 2.8451 2.8451 2.8883 2.8883 6.4916 6.4916 6.7254 6.7254 8.5447 8.5447 10.4641 10.4641 k = 0.2815-0.4077 0.5476 ( 6732 PWs) bands (ev): -23.6041 -23.6041 -21.8011 -21.8011 -21.7780 -21.7780 -21.7070 -21.7070 -20.9566 -20.9566 -20.8959 -20.8959 -19.1220 -19.1220 -14.3919 -14.3919 -8.9837 -8.9837 -7.4492 -7.4492 -5.5429 -5.5429 -5.4534 -5.4534 -5.3680 -5.3680 -5.2635 -5.2635 -4.8760 -4.8760 -4.8216 -4.8216 -3.2835 -3.2835 -3.2032 -3.2032 -3.0664 -3.0664 -2.7255 -2.7255 -2.5875 -2.5875 -1.8909 -1.8909 -1.8412 -1.8412 -1.8089 -1.8089 -1.7481 -1.7481 -1.6421 -1.6421 -1.5557 -1.5557 -1.0134 -1.0134 -0.8471 -0.8471 -0.8234 -0.8234 -0.1717 -0.1717 -0.0988 -0.0988 2.8530 2.8530 2.8979 2.8979 6.5024 6.5024 6.7171 6.7171 8.5504 8.5504 10.4702 10.4702 k = 0.2711-0.3926 0.5476 ( 6728 PWs) bands (ev): -23.6046 -23.6046 -21.8006 -21.8006 -21.7773 -21.7773 -21.7072 -21.7072 -20.9572 -20.9572 -20.8956 -20.8956 -19.1220 -19.1220 -14.3912 -14.3912 -8.9860 -8.9860 -7.4543 -7.4543 -5.5441 -5.5441 -5.4537 -5.4537 -5.3618 -5.3618 -5.2644 -5.2644 -4.8723 -4.8723 -4.8158 -4.8158 -3.2893 -3.2893 -3.2080 -3.2080 -3.0715 -3.0715 -2.7307 -2.7307 -2.5886 -2.5886 -1.8859 -1.8859 -1.8323 -1.8323 -1.8056 -1.8056 -1.7415 -1.7415 -1.6418 -1.6418 -1.5538 -1.5538 -1.0114 -1.0114 -0.8485 -0.8485 -0.8247 -0.8247 -0.1830 -0.1830 -0.1068 -0.1068 2.8597 2.8597 2.9090 2.9090 6.5132 6.5132 6.7088 6.7088 8.5560 8.5560 10.4084 10.4084 k = 0.2607-0.3775 0.5476 ( 6714 PWs) bands (ev): -23.6051 -23.6051 -21.8000 -21.8000 -21.7765 -21.7765 -21.7075 -21.7075 -20.9578 -20.9578 -20.8954 -20.8954 -19.1220 -19.1220 -14.3904 -14.3904 -8.9885 -8.9885 -7.4594 -7.4594 -5.5448 -5.5448 -5.4537 -5.4537 -5.3555 -5.3555 -5.2653 -5.2653 -4.8691 -4.8691 -4.8114 -4.8114 -3.2936 -3.2936 -3.2124 -3.2124 -3.0764 -3.0764 -2.7350 -2.7350 -2.5895 -2.5895 -1.8819 -1.8819 -1.8244 -1.8244 -1.8026 -1.8026 -1.7344 -1.7344 -1.6417 -1.6417 -1.5522 -1.5522 -1.0092 -1.0092 -0.8498 -0.8498 -0.8258 -0.8258 -0.1939 -0.1939 -0.1146 -0.1146 2.8652 2.8652 2.9215 2.9215 6.5241 6.5241 6.7005 6.7005 8.5614 8.5614 10.3368 10.3368 k = 0.2502-0.3624 0.5476 ( 6722 PWs) bands (ev): -23.6055 -23.6055 -21.7995 -21.7995 -21.7758 -21.7758 -21.7077 -21.7077 -20.9584 -20.9584 -20.8951 -20.8951 -19.1221 -19.1221 -14.3896 -14.3896 -8.9911 -8.9911 -7.4645 -7.4645 -5.5451 -5.5451 -5.4535 -5.4535 -5.3492 -5.3492 -5.2662 -5.2662 -4.8665 -4.8665 -4.8083 -4.8083 -3.2967 -3.2967 -3.2162 -3.2162 -3.0812 -3.0812 -2.7384 -2.7384 -2.5903 -2.5903 -1.8789 -1.8789 -1.8187 -1.8187 -1.7986 -1.7986 -1.7272 -1.7272 -1.6417 -1.6417 -1.5510 -1.5510 -1.0069 -1.0069 -0.8509 -0.8509 -0.8270 -0.8270 -0.2042 -0.2042 -0.1224 -0.1224 2.8696 2.8696 2.9349 2.9349 6.5349 6.5349 6.6924 6.6924 8.5666 8.5666 10.2638 10.2638 k = 0.2398-0.3473 0.5476 ( 6728 PWs) bands (ev): -23.6060 -23.6060 -21.7990 -21.7990 -21.7751 -21.7751 -21.7080 -21.7080 -20.9590 -20.9590 -20.8949 -20.8949 -19.1221 -19.1221 -14.3888 -14.3888 -8.9939 -8.9939 -7.4695 -7.4695 -5.5449 -5.5449 -5.4530 -5.4530 -5.3427 -5.3427 -5.2671 -5.2671 -4.8645 -4.8645 -4.8066 -4.8066 -3.2983 -3.2983 -3.2196 -3.2196 -3.0857 -3.0857 -2.7409 -2.7409 -2.5908 -2.5908 -1.8766 -1.8766 -1.8162 -1.8162 -1.7927 -1.7927 -1.7199 -1.7199 -1.6418 -1.6418 -1.5501 -1.5501 -1.0045 -1.0045 -0.8520 -0.8520 -0.8281 -0.8281 -0.2139 -0.2139 -0.1302 -0.1302 2.8733 2.8733 2.9492 2.9492 6.5456 6.5456 6.6845 6.6845 8.5716 8.5716 10.1906 10.1906 k = 0.2294-0.3322 0.5476 ( 6736 PWs) bands (ev): -23.6065 -23.6065 -21.7984 -21.7984 -21.7744 -21.7744 -21.7082 -21.7082 -20.9595 -20.9595 -20.8946 -20.8946 -19.1222 -19.1222 -14.3880 -14.3880 -8.9967 -8.9967 -7.4744 -7.4744 -5.5443 -5.5443 -5.4522 -5.4522 -5.3363 -5.3363 -5.2680 -5.2680 -4.8631 -4.8631 -4.8062 -4.8062 -3.2987 -3.2987 -3.2224 -3.2224 -3.0901 -3.0901 -2.7424 -2.7424 -2.5911 -2.5911 -1.8751 -1.8751 -1.8162 -1.8162 -1.7855 -1.7855 -1.7129 -1.7129 -1.6419 -1.6419 -1.5495 -1.5495 -1.0019 -1.0019 -0.8529 -0.8529 -0.8291 -0.8291 -0.2228 -0.2228 -0.1379 -0.1379 2.8762 2.8762 2.9640 2.9640 6.5562 6.5562 6.6767 6.6767 8.5763 8.5763 10.1179 10.1179 k = 0.2190-0.3171 0.5476 ( 6736 PWs) bands (ev): -23.6070 -23.6070 -21.7978 -21.7978 -21.7737 -21.7737 -21.7085 -21.7085 -20.9600 -20.9600 -20.8944 -20.8944 -19.1222 -19.1222 -14.3872 -14.3872 -8.9997 -8.9997 -7.4792 -7.4792 -5.5433 -5.5433 -5.4511 -5.4511 -5.3300 -5.3300 -5.2688 -5.2688 -4.8622 -4.8622 -4.8072 -4.8072 -3.2979 -3.2979 -3.2248 -3.2248 -3.0943 -3.0943 -2.7429 -2.7429 -2.5912 -2.5912 -1.8743 -1.8743 -1.8177 -1.8177 -1.7779 -1.7779 -1.7062 -1.7062 -1.6420 -1.6420 -1.5492 -1.5492 -0.9993 -0.9993 -0.8537 -0.8537 -0.8300 -0.8300 -0.2309 -0.2309 -0.1455 -0.1455 2.8786 2.8786 2.9793 2.9793 6.5666 6.5666 6.6692 6.6692 8.5806 8.5806 10.0462 10.0462 k = 0.2085-0.3020 0.5476 ( 6730 PWs) bands (ev): -23.6075 -23.6075 -21.7973 -21.7973 -21.7730 -21.7730 -21.7088 -21.7088 -20.9604 -20.9604 -20.8941 -20.8941 -19.1223 -19.1223 -14.3864 -14.3864 -9.0027 -9.0027 -7.4839 -7.4839 -5.5419 -5.5419 -5.4497 -5.4497 -5.3238 -5.3238 -5.2696 -5.2696 -4.8619 -4.8619 -4.8095 -4.8095 -3.2959 -3.2959 -3.2266 -3.2266 -3.0983 -3.0983 -2.7424 -2.7424 -2.5910 -2.5910 -1.8741 -1.8741 -1.8203 -1.8203 -1.7706 -1.7706 -1.6999 -1.6999 -1.6420 -1.6420 -1.5492 -1.5492 -0.9965 -0.9965 -0.8543 -0.8543 -0.8308 -0.8308 -0.2383 -0.2383 -0.1531 -0.1531 2.8804 2.8804 2.9948 2.9948 6.5768 6.5768 6.6621 6.6621 8.5847 8.5847 9.9757 9.9757 k = 0.1981-0.2869 0.5476 ( 6726 PWs) bands (ev): -23.6080 -23.6080 -21.7967 -21.7967 -21.7723 -21.7723 -21.7091 -21.7091 -20.9609 -20.9609 -20.8939 -20.8939 -19.1224 -19.1224 -14.3856 -14.3856 -9.0058 -9.0058 -7.4884 -7.4884 -5.5400 -5.5400 -5.4481 -5.4481 -5.3177 -5.3177 -5.2704 -5.2704 -4.8621 -4.8621 -4.8129 -4.8129 -3.2929 -3.2929 -3.2280 -3.2280 -3.1020 -3.1020 -2.7411 -2.7411 -2.5906 -2.5906 -1.8747 -1.8747 -1.8235 -1.8235 -1.7637 -1.7637 -1.6942 -1.6942 -1.6420 -1.6420 -1.5493 -1.5493 -0.9937 -0.9937 -0.8548 -0.8548 -0.8315 -0.8315 -0.2448 -0.2448 -0.1605 -0.1605 2.8818 2.8818 3.0105 3.0105 6.5867 6.5867 6.6553 6.6553 8.5885 8.5885 9.9067 9.9067 k = 0.1877-0.2718 0.5476 ( 6728 PWs) bands (ev): -23.6085 -23.6085 -21.7962 -21.7962 -21.7717 -21.7717 -21.7093 -21.7093 -20.9612 -20.9612 -20.8937 -20.8937 -19.1225 -19.1225 -14.3848 -14.3848 -9.0090 -9.0090 -7.4929 -7.4929 -5.5379 -5.5379 -5.4463 -5.4463 -5.3120 -5.3120 -5.2710 -5.2710 -4.8628 -4.8628 -4.8173 -4.8173 -3.2890 -3.2890 -3.2288 -3.2288 -3.1056 -3.1056 -2.7387 -2.7387 -2.5900 -2.5900 -1.8759 -1.8759 -1.8274 -1.8274 -1.7575 -1.7575 -1.6890 -1.6890 -1.6418 -1.6418 -1.5496 -1.5496 -0.9908 -0.9908 -0.8551 -0.8551 -0.8321 -0.8321 -0.2506 -0.2506 -0.1678 -0.1678 2.8827 2.8827 3.0262 3.0262 6.5963 6.5963 6.6488 6.6488 8.5918 8.5918 9.8396 9.8396 k = 0.1772-0.2567 0.5476 ( 6726 PWs) bands (ev): -23.6090 -23.6090 -21.7956 -21.7956 -21.7710 -21.7710 -21.7096 -21.7096 -20.9616 -20.9616 -20.8935 -20.8935 -19.1225 -19.1225 -14.3840 -14.3840 -9.0121 -9.0121 -7.4971 -7.4971 -5.5354 -5.5354 -5.4443 -5.4443 -5.3065 -5.3065 -5.2715 -5.2715 -4.8640 -4.8640 -4.8227 -4.8227 -3.2843 -3.2843 -3.2292 -3.2292 -3.1089 -3.1089 -2.7356 -2.7356 -2.5892 -2.5892 -1.8777 -1.8777 -1.8317 -1.8317 -1.7520 -1.7520 -1.6845 -1.6845 -1.6414 -1.6414 -1.5500 -1.5500 -0.9879 -0.9879 -0.8553 -0.8553 -0.8326 -0.8326 -0.2556 -0.2556 -0.1749 -0.1749 2.8832 2.8832 3.0418 3.0418 6.6056 6.6056 6.6428 6.6428 8.5949 8.5949 9.7746 9.7746 k = 0.1668-0.2416 0.5476 ( 6730 PWs) bands (ev): -23.6095 -23.6095 -21.7950 -21.7950 -21.7704 -21.7704 -21.7099 -21.7099 -20.9619 -20.9619 -20.8933 -20.8933 -19.1226 -19.1226 -14.3833 -14.3833 -9.0153 -9.0153 -7.5012 -7.5012 -5.5326 -5.5326 -5.4420 -5.4420 -5.3014 -5.3014 -5.2718 -5.2718 -4.8658 -4.8658 -4.8287 -4.8287 -3.2790 -3.2790 -3.2292 -3.2292 -3.1120 -3.1120 -2.7316 -2.7316 -2.5881 -2.5881 -1.8803 -1.8803 -1.8364 -1.8364 -1.7472 -1.7472 -1.6805 -1.6805 -1.6408 -1.6408 -1.5505 -1.5505 -0.9849 -0.9849 -0.8554 -0.8554 -0.8330 -0.8330 -0.2599 -0.2599 -0.1818 -0.1818 2.8833 2.8833 3.0573 3.0573 6.6146 6.6146 6.6371 6.6371 8.5976 8.5976 9.7120 9.7120 k = 0.1564-0.2265 0.5476 ( 6738 PWs) bands (ev): -23.6099 -23.6099 -21.7945 -21.7945 -21.7699 -21.7699 -21.7102 -21.7102 -20.9622 -20.9622 -20.8931 -20.8931 -19.1227 -19.1227 -14.3825 -14.3825 -9.0184 -9.0184 -7.5051 -7.5051 -5.5295 -5.5295 -5.4396 -5.4396 -5.2968 -5.2968 -5.2720 -5.2720 -4.8680 -4.8680 -4.8352 -4.8352 -3.2733 -3.2733 -3.2288 -3.2288 -3.1149 -3.1149 -2.7269 -2.7269 -2.5868 -2.5868 -1.8835 -1.8835 -1.8413 -1.8413 -1.7432 -1.7432 -1.6772 -1.6772 -1.6399 -1.6399 -1.5509 -1.5509 -0.9820 -0.9820 -0.8553 -0.8553 -0.8332 -0.8332 -0.2636 -0.2636 -0.1884 -0.1884 2.8831 2.8831 3.0725 3.0725 6.6231 6.6231 6.6319 6.6319 8.6000 8.6000 9.6519 9.6519 k = 0.1460-0.2114 0.5476 ( 6738 PWs) bands (ev): -23.6104 -23.6104 -21.7940 -21.7940 -21.7693 -21.7693 -21.7105 -21.7105 -20.9624 -20.9624 -20.8930 -20.8930 -19.1228 -19.1228 -14.3819 -14.3819 -9.0215 -9.0215 -7.5088 -7.5088 -5.5262 -5.5262 -5.4371 -5.4371 -5.2927 -5.2927 -5.2719 -5.2719 -4.8708 -4.8708 -4.8420 -4.8420 -3.2673 -3.2673 -3.2280 -3.2280 -3.1176 -3.1176 -2.7215 -2.7215 -2.5854 -2.5854 -1.8873 -1.8873 -1.8465 -1.8465 -1.7400 -1.7400 -1.6743 -1.6743 -1.6388 -1.6388 -1.5513 -1.5513 -0.9791 -0.9791 -0.8552 -0.8552 -0.8332 -0.8332 -0.2668 -0.2668 -0.1946 -0.1946 2.8826 2.8826 3.0874 3.0874 6.6271 6.6271 6.6312 6.6312 8.6021 8.6021 9.5945 9.5945 k = 0.1355-0.1963 0.5476 ( 6730 PWs) bands (ev): -23.6108 -23.6108 -21.7935 -21.7935 -21.7688 -21.7688 -21.7107 -21.7107 -20.9626 -20.9626 -20.8928 -20.8928 -19.1229 -19.1229 -14.3812 -14.3812 -9.0245 -9.0245 -7.5122 -7.5122 -5.5228 -5.5228 -5.4344 -5.4344 -5.2892 -5.2892 -5.2715 -5.2715 -4.8744 -4.8744 -4.8485 -4.8485 -3.2611 -3.2611 -3.2269 -3.2269 -3.1201 -3.1201 -2.7156 -2.7156 -2.5838 -2.5838 -1.8916 -1.8916 -1.8517 -1.8517 -1.7374 -1.7374 -1.6720 -1.6720 -1.6374 -1.6374 -1.5517 -1.5517 -0.9762 -0.9762 -0.8551 -0.8551 -0.8331 -0.8331 -0.2696 -0.2696 -0.2004 -0.2004 2.8819 2.8819 3.1017 3.1017 6.6227 6.6227 6.6389 6.6389 8.6040 8.6040 9.5402 9.5402 k = 0.1251-0.1812 0.5476 ( 6720 PWs) bands (ev): -23.6112 -23.6112 -21.7930 -21.7930 -21.7683 -21.7683 -21.7110 -21.7110 -20.9628 -20.9628 -20.8927 -20.8927 -19.1230 -19.1230 -14.3806 -14.3806 -9.0273 -9.0273 -7.5155 -7.5155 -5.5193 -5.5193 -5.4317 -5.4317 -5.2864 -5.2864 -5.2707 -5.2707 -4.8789 -4.8789 -4.8545 -4.8545 -3.2549 -3.2549 -3.2254 -3.2254 -3.1224 -3.1224 -2.7093 -2.7093 -2.5820 -2.5820 -1.8965 -1.8965 -1.8569 -1.8569 -1.7354 -1.7354 -1.6701 -1.6701 -1.6359 -1.6359 -1.5519 -1.5519 -0.9734 -0.9734 -0.8549 -0.8549 -0.8329 -0.8329 -0.2720 -0.2720 -0.2057 -0.2057 2.8810 2.8810 3.1156 3.1156 6.6188 6.6188 6.6460 6.6460 8.6055 8.6055 9.4890 9.4890 k = 0.1147-0.1661 0.5476 ( 6726 PWs) bands (ev): -23.6116 -23.6116 -21.7925 -21.7925 -21.7679 -21.7679 -21.7112 -21.7112 -20.9630 -20.9630 -20.8926 -20.8926 -19.1231 -19.1231 -14.3800 -14.3800 -9.0301 -9.0301 -7.5185 -7.5185 -5.5158 -5.5158 -5.4289 -5.4289 -5.2843 -5.2843 -5.2696 -5.2696 -4.8844 -4.8844 -4.8597 -4.8597 -3.2489 -3.2489 -3.2236 -3.2236 -3.1245 -3.1245 -2.7026 -2.7026 -2.5802 -2.5802 -1.9017 -1.9017 -1.8621 -1.8621 -1.7340 -1.7340 -1.6686 -1.6686 -1.6343 -1.6343 -1.5521 -1.5521 -0.9707 -0.9707 -0.8547 -0.8547 -0.8325 -0.8325 -0.2741 -0.2741 -0.2105 -0.2105 2.8799 2.8799 3.1287 3.1287 6.6152 6.6152 6.6527 6.6527 8.6069 8.6069 9.4412 9.4412 k = 0.1043-0.1510 0.5476 ( 6722 PWs) bands (ev): -23.6119 -23.6119 -21.7921 -21.7921 -21.7675 -21.7675 -21.7115 -21.7115 -20.9631 -20.9631 -20.8924 -20.8924 -19.1231 -19.1231 -14.3794 -14.3794 -9.0327 -9.0327 -7.5213 -7.5213 -5.5122 -5.5122 -5.4261 -5.4261 -5.2827 -5.2827 -5.2683 -5.2683 -4.8907 -4.8907 -4.8640 -4.8640 -3.2433 -3.2433 -3.2216 -3.2216 -3.1263 -3.1263 -2.6959 -2.6959 -2.5784 -2.5784 -1.9072 -1.9072 -1.8672 -1.8672 -1.7330 -1.7330 -1.6675 -1.6675 -1.6326 -1.6326 -1.5521 -1.5521 -0.9682 -0.9682 -0.8545 -0.8545 -0.8320 -0.8320 -0.2761 -0.2761 -0.2147 -0.2147 2.8786 2.8786 3.1411 3.1411 6.6121 6.6121 6.6589 6.6589 8.6080 8.6080 9.3970 9.3970 k = 0.0938-0.1359 0.5476 ( 6740 PWs) bands (ev): -23.6123 -23.6123 -21.7917 -21.7917 -21.7671 -21.7671 -21.7117 -21.7117 -20.9632 -20.9632 -20.8923 -20.8923 -19.1232 -19.1232 -14.3789 -14.3789 -9.0351 -9.0351 -7.5239 -7.5239 -5.5088 -5.5088 -5.4234 -5.4234 -5.2815 -5.2815 -5.2670 -5.2670 -4.8976 -4.8976 -4.8674 -4.8674 -3.2382 -3.2382 -3.2193 -3.2193 -3.1280 -3.1280 -2.6891 -2.6891 -2.5766 -2.5766 -1.9127 -1.9127 -1.8721 -1.8721 -1.7324 -1.7324 -1.6667 -1.6667 -1.6309 -1.6309 -1.5521 -1.5521 -0.9658 -0.9658 -0.8543 -0.8543 -0.8315 -0.8315 -0.2779 -0.2779 -0.2184 -0.2184 2.8773 2.8773 3.1527 3.1527 6.6093 6.6093 6.6645 6.6645 8.6090 8.6090 9.3564 9.3564 k = 0.0834-0.1208 0.5476 ( 6740 PWs) bands (ev): -23.6126 -23.6126 -21.7914 -21.7914 -21.7668 -21.7668 -21.7119 -21.7119 -20.9633 -20.9633 -20.8923 -20.8923 -19.1233 -19.1233 -14.3784 -14.3784 -9.0374 -9.0374 -7.5261 -7.5261 -5.5055 -5.5055 -5.4208 -5.4208 -5.2805 -5.2805 -5.2656 -5.2656 -4.9046 -4.9046 -4.8703 -4.8703 -3.2336 -3.2336 -3.2167 -3.2167 -3.1295 -3.1295 -2.6825 -2.6825 -2.5748 -2.5748 -1.9182 -1.9182 -1.8768 -1.8768 -1.7320 -1.7320 -1.6662 -1.6662 -1.6292 -1.6292 -1.5520 -1.5520 -0.9636 -0.9636 -0.8541 -0.8541 -0.8309 -0.8309 -0.2797 -0.2797 -0.2214 -0.2214 2.8760 2.8760 3.1633 3.1633 6.6069 6.6069 6.6696 6.6696 8.6098 8.6098 9.3197 9.3197 k = 0.0730-0.1057 0.5476 ( 6746 PWs) bands (ev): -23.6128 -23.6128 -21.7910 -21.7910 -21.7665 -21.7665 -21.7120 -21.7120 -20.9634 -20.9634 -20.8922 -20.8922 -19.1233 -19.1233 -14.3780 -14.3780 -9.0394 -9.0394 -7.5282 -7.5282 -5.5024 -5.5024 -5.4183 -5.4183 -5.2797 -5.2797 -5.2645 -5.2645 -4.9114 -4.9114 -4.8727 -4.8727 -3.2298 -3.2298 -3.2140 -3.2140 -3.1308 -3.1308 -2.6762 -2.6762 -2.5730 -2.5730 -1.9235 -1.9235 -1.8812 -1.8812 -1.7318 -1.7318 -1.6659 -1.6659 -1.6276 -1.6276 -1.5519 -1.5519 -0.9616 -0.9616 -0.8540 -0.8540 -0.8302 -0.8302 -0.2814 -0.2814 -0.2239 -0.2239 2.8748 2.8748 3.1729 3.1729 6.6048 6.6048 6.6740 6.6740 8.6104 8.6104 9.2870 9.2870 k = 0.0626-0.0906 0.5476 ( 6748 PWs) bands (ev): -23.6131 -23.6131 -21.7908 -21.7908 -21.7662 -21.7662 -21.7122 -21.7122 -20.9634 -20.9634 -20.8921 -20.8921 -19.1234 -19.1234 -14.3777 -14.3777 -9.0412 -9.0412 -7.5300 -7.5300 -5.4996 -5.4996 -5.4160 -5.4160 -5.2790 -5.2790 -5.2636 -5.2636 -4.9177 -4.9177 -4.8747 -4.8747 -3.2267 -3.2267 -3.2111 -3.2111 -3.1318 -3.1318 -2.6704 -2.6704 -2.5715 -2.5715 -1.9284 -1.9284 -1.8852 -1.8852 -1.7318 -1.7318 -1.6658 -1.6658 -1.6261 -1.6261 -1.5518 -1.5518 -0.9598 -0.9598 -0.8539 -0.8539 -0.8296 -0.8296 -0.2830 -0.2830 -0.2259 -0.2259 2.8735 2.8735 3.1814 3.1814 6.6030 6.6030 6.6780 6.6780 8.6109 8.6109 9.2583 9.2583 k = 0.0521-0.0755 0.5476 ( 6748 PWs) bands (ev): -23.6133 -23.6133 -21.7905 -21.7905 -21.7660 -21.7660 -21.7123 -21.7123 -20.9635 -20.9635 -20.8920 -20.8920 -19.1234 -19.1234 -14.3773 -14.3773 -9.0428 -9.0428 -7.5315 -7.5315 -5.4970 -5.4970 -5.4139 -5.4139 -5.2784 -5.2784 -5.2628 -5.2628 -4.9234 -4.9234 -4.8764 -4.8764 -3.2242 -3.2242 -3.2084 -3.2084 -3.1328 -3.1328 -2.6651 -2.6651 -2.5700 -2.5700 -1.9328 -1.9328 -1.8887 -1.8887 -1.7318 -1.7318 -1.6657 -1.6657 -1.6248 -1.6248 -1.5516 -1.5516 -0.9583 -0.9583 -0.8538 -0.8538 -0.8290 -0.8290 -0.2844 -0.2844 -0.2274 -0.2274 2.8725 2.8725 3.1887 3.1887 6.6016 6.6016 6.6813 6.6813 8.6114 8.6114 9.2339 9.2339 k = 0.0417-0.0604 0.5476 ( 6744 PWs) bands (ev): -23.6134 -23.6134 -21.7903 -21.7903 -21.7658 -21.7658 -21.7124 -21.7124 -20.9635 -20.9635 -20.8920 -20.8920 -19.1235 -19.1235 -14.3771 -14.3771 -9.0441 -9.0441 -7.5327 -7.5327 -5.4949 -5.4949 -5.4122 -5.4122 -5.2779 -5.2779 -5.2623 -5.2623 -4.9283 -4.9283 -4.8777 -4.8777 -3.2223 -3.2223 -3.2059 -3.2059 -3.1335 -3.1335 -2.6607 -2.6607 -2.5688 -2.5688 -1.9366 -1.9366 -1.8918 -1.8918 -1.7318 -1.7318 -1.6658 -1.6658 -1.6237 -1.6237 -1.5514 -1.5514 -0.9570 -0.9570 -0.8537 -0.8537 -0.8285 -0.8285 -0.2857 -0.2857 -0.2285 -0.2285 2.8715 2.8715 3.1947 3.1947 6.6004 6.6004 6.6840 6.6840 8.6117 8.6117 9.2138 9.2138 k = 0.0313-0.0453 0.5476 ( 6738 PWs) bands (ev): -23.6136 -23.6136 -21.7901 -21.7901 -21.7657 -21.7657 -21.7125 -21.7125 -20.9635 -20.9635 -20.8919 -20.8919 -19.1235 -19.1235 -14.3769 -14.3769 -9.0451 -9.0451 -7.5337 -7.5337 -5.4932 -5.4932 -5.4108 -5.4108 -5.2775 -5.2775 -5.2619 -5.2619 -4.9322 -4.9322 -4.8788 -4.8788 -3.2209 -3.2209 -3.2038 -3.2038 -3.1341 -3.1341 -2.6570 -2.6570 -2.5678 -2.5678 -1.9397 -1.9397 -1.8942 -1.8942 -1.7319 -1.7319 -1.6658 -1.6658 -1.6228 -1.6228 -1.5513 -1.5513 -0.9559 -0.9559 -0.8536 -0.8536 -0.8280 -0.8280 -0.2868 -0.2868 -0.2292 -0.2292 2.8707 2.8707 3.1995 3.1995 6.5995 6.5995 6.6862 6.6862 8.6119 8.6119 9.1981 9.1981 k = 0.0209-0.0302 0.5476 ( 6736 PWs) bands (ev): -23.6137 -23.6137 -21.7900 -21.7900 -21.7655 -21.7655 -21.7126 -21.7126 -20.9636 -20.9636 -20.8919 -20.8919 -19.1235 -19.1235 -14.3767 -14.3767 -9.0458 -9.0458 -7.5344 -7.5344 -5.4920 -5.4920 -5.4097 -5.4097 -5.2771 -5.2771 -5.2617 -5.2617 -4.9351 -4.9351 -4.8795 -4.8795 -3.2199 -3.2199 -3.2023 -3.2023 -3.1345 -3.1345 -2.6544 -2.6544 -2.5671 -2.5671 -1.9419 -1.9419 -1.8960 -1.8960 -1.7320 -1.7320 -1.6659 -1.6659 -1.6221 -1.6221 -1.5512 -1.5512 -0.9552 -0.9552 -0.8536 -0.8536 -0.8277 -0.8277 -0.2876 -0.2876 -0.2297 -0.2297 2.8702 2.8702 3.2030 3.2030 6.5989 6.5989 6.6877 6.6877 8.6121 8.6121 9.1868 9.1868 k = 0.0104-0.0151 0.5476 ( 6744 PWs) bands (ev): -23.6137 -23.6137 -21.7900 -21.7900 -21.7655 -21.7655 -21.7126 -21.7126 -20.9636 -20.9636 -20.8919 -20.8919 -19.1236 -19.1236 -14.3766 -14.3766 -9.0462 -9.0462 -7.5348 -7.5348 -5.4912 -5.4912 -5.4091 -5.4091 -5.2769 -5.2769 -5.2616 -5.2616 -4.9369 -4.9369 -4.8800 -4.8800 -3.2193 -3.2193 -3.2013 -3.2013 -3.1347 -3.1347 -2.6527 -2.6527 -2.5667 -2.5667 -1.9433 -1.9433 -1.8971 -1.8971 -1.7321 -1.7321 -1.6659 -1.6659 -1.6217 -1.6217 -1.5511 -1.5511 -0.9548 -0.9548 -0.8536 -0.8536 -0.8275 -0.8275 -0.2881 -0.2881 -0.2300 -0.2300 2.8698 2.8698 3.2050 3.2050 6.5985 6.5985 6.6886 6.6886 8.6122 8.6122 9.1800 9.1800 k = 0.0000 0.0000 0.5476 ( 6742 PWs) bands (ev): -23.6137 -23.6137 -21.7899 -21.7899 -21.7655 -21.7655 -21.7126 -21.7126 -20.9636 -20.9636 -20.8919 -20.8919 -19.1236 -19.1236 -14.3766 -14.3766 -9.0464 -9.0464 -7.5349 -7.5349 -5.4909 -5.4909 -5.4089 -5.4089 -5.2768 -5.2768 -5.2616 -5.2616 -4.9375 -4.9375 -4.8801 -4.8801 -3.2191 -3.2191 -3.2010 -3.2010 -3.1348 -3.1348 -2.6522 -2.6522 -2.5665 -2.5665 -1.9437 -1.9437 -1.8975 -1.8975 -1.7321 -1.7321 -1.6660 -1.6660 -1.6216 -1.6216 -1.5511 -1.5511 -0.9546 -0.9546 -0.8535 -0.8535 -0.8274 -0.8274 -0.2883 -0.2883 -0.2301 -0.2301 2.8697 2.8697 3.2057 3.2057 6.5984 6.5984 6.6889 6.6889 8.6122 8.6122 9.1778 9.1778 k = 0.0000 0.0000 0.5476 ( 6742 PWs) bands (ev): -23.6137 -23.6137 -21.7899 -21.7899 -21.7655 -21.7655 -21.7126 -21.7126 -20.9636 -20.9636 -20.8919 -20.8919 -19.1236 -19.1236 -14.3766 -14.3766 -9.0464 -9.0464 -7.5349 -7.5349 -5.4909 -5.4909 -5.4089 -5.4089 -5.2768 -5.2768 -5.2616 -5.2616 -4.9375 -4.9375 -4.8801 -4.8801 -3.2191 -3.2191 -3.2010 -3.2010 -3.1348 -3.1348 -2.6522 -2.6522 -2.5665 -2.5665 -1.9437 -1.9437 -1.8975 -1.8975 -1.7321 -1.7321 -1.6660 -1.6660 -1.6216 -1.6216 -1.5511 -1.5511 -0.9546 -0.9546 -0.8535 -0.8535 -0.8274 -0.8274 -0.2883 -0.2883 -0.2301 -0.2301 2.8697 2.8697 3.2057 3.2057 6.5984 6.5984 6.6889 6.6889 8.6122 8.6122 9.1778 9.1778 k = 0.0149 0.0103 0.5476 ( 6750 PWs) bands (ev): -23.6137 -23.6137 -21.7900 -21.7900 -21.7655 -21.7655 -21.7126 -21.7126 -20.9635 -20.9635 -20.8919 -20.8919 -19.1236 -19.1236 -14.3767 -14.3767 -9.0462 -9.0462 -7.5346 -7.5346 -5.4910 -5.4910 -5.4089 -5.4089 -5.2905 -5.2905 -5.2480 -5.2480 -4.9375 -4.9375 -4.8801 -4.8801 -3.2194 -3.2194 -3.2009 -3.2009 -3.1346 -3.1346 -2.6523 -2.6523 -2.5670 -2.5670 -1.9436 -1.9436 -1.8974 -1.8974 -1.7319 -1.7319 -1.6663 -1.6663 -1.6218 -1.6218 -1.5512 -1.5512 -0.9551 -0.9551 -0.8535 -0.8535 -0.8274 -0.8274 -0.2876 -0.2876 -0.2293 -0.2293 2.8697 2.8697 3.2044 3.2044 6.5949 6.5949 6.6916 6.6916 8.6123 8.6123 9.1796 9.1796 k = 0.0298 0.0206 0.5476 ( 6748 PWs) bands (ev): -23.6136 -23.6136 -21.7901 -21.7901 -21.7657 -21.7657 -21.7126 -21.7126 -20.9634 -20.9634 -20.8920 -20.8920 -19.1236 -19.1236 -14.3768 -14.3768 -9.0457 -9.0457 -7.5336 -7.5336 -5.4912 -5.4912 -5.4090 -5.4090 -5.3095 -5.3095 -5.2293 -5.2293 -4.9375 -4.9375 -4.8801 -4.8801 -3.2203 -3.2203 -3.2005 -3.2005 -3.1340 -3.1340 -2.6527 -2.6527 -2.5682 -2.5682 -1.9431 -1.9431 -1.8970 -1.8970 -1.7313 -1.7313 -1.6675 -1.6675 -1.6225 -1.6225 -1.5516 -1.5516 -0.9565 -0.9565 -0.8533 -0.8533 -0.8272 -0.8272 -0.2858 -0.2858 -0.2269 -0.2269 2.8698 2.8698 3.2006 3.2006 6.5856 6.5856 6.6987 6.6987 8.6125 8.6125 9.1851 9.1851 k = 0.0447 0.0308 0.5476 ( 6752 PWs) bands (ev): -23.6135 -23.6135 -21.7903 -21.7903 -21.7659 -21.7659 -21.7125 -21.7125 -20.9632 -20.9632 -20.8921 -20.8921 -19.1235 -19.1235 -14.3771 -14.3771 -9.0449 -9.0449 -7.5319 -7.5319 -5.4915 -5.4915 -5.4091 -5.4091 -5.3286 -5.3286 -5.2108 -5.2108 -4.9376 -4.9376 -4.8801 -4.8801 -3.2219 -3.2219 -3.1997 -3.1997 -3.1330 -3.1330 -2.6532 -2.6532 -2.5702 -2.5702 -1.9422 -1.9422 -1.8963 -1.8963 -1.7304 -1.7304 -1.6693 -1.6693 -1.6235 -1.6235 -1.5521 -1.5521 -0.9588 -0.9588 -0.8531 -0.8531 -0.8270 -0.8270 -0.2829 -0.2829 -0.2228 -0.2228 2.8700 2.8700 3.1942 3.1942 6.5724 6.5724 6.7081 6.7081 8.6128 8.6128 9.1943 9.1943 k = 0.0595 0.0411 0.5476 ( 6749 PWs) bands (ev): -23.6132 -23.6132 -21.7905 -21.7905 -21.7662 -21.7662 -21.7124 -21.7124 -20.9630 -20.9630 -20.8922 -20.8922 -19.1235 -19.1235 -14.3775 -14.3775 -9.0437 -9.0437 -7.5295 -7.5295 -5.4920 -5.4920 -5.4095 -5.4095 -5.3471 -5.3471 -5.1930 -5.1930 -4.9377 -4.9377 -4.8800 -4.8800 -3.2244 -3.2244 -3.1984 -3.1984 -3.1316 -3.1316 -2.6540 -2.6540 -2.5729 -2.5729 -1.9411 -1.9411 -1.8955 -1.8955 -1.7293 -1.7293 -1.6720 -1.6720 -1.6249 -1.6249 -1.5529 -1.5529 -0.9619 -0.9619 -0.8527 -0.8527 -0.8267 -0.8267 -0.2790 -0.2790 -0.2169 -0.2169 2.8702 2.8702 3.1854 3.1854 6.5568 6.5568 6.7186 6.7186 8.6132 8.6132 9.2071 9.2071 k = 0.0744 0.0514 0.5476 ( 6753 PWs) bands (ev): -23.6130 -23.6130 -21.7908 -21.7908 -21.7667 -21.7667 -21.7122 -21.7122 -20.9626 -20.9626 -20.8923 -20.8923 -19.1235 -19.1235 -14.3780 -14.3780 -9.0422 -9.0422 -7.5265 -7.5265 -5.4927 -5.4927 -5.4103 -5.4103 -5.3645 -5.3645 -5.1762 -5.1762 -4.9378 -4.9378 -4.8799 -4.8799 -3.2275 -3.2275 -3.1963 -3.1963 -3.1298 -3.1298 -2.6549 -2.6549 -2.5761 -2.5761 -1.9398 -1.9398 -1.8945 -1.8945 -1.7283 -1.7283 -1.6753 -1.6753 -1.6265 -1.6265 -1.5538 -1.5538 -0.9657 -0.9657 -0.8521 -0.8521 -0.8263 -0.8263 -0.2745 -0.2745 -0.2092 -0.2092 2.8704 2.8704 3.1743 3.1743 6.5399 6.5399 6.7293 6.7293 8.6135 8.6135 9.2234 9.2234 k = 0.0893 0.0617 0.5476 ( 6751 PWs) bands (ev): -23.6126 -23.6126 -21.7912 -21.7912 -21.7672 -21.7672 -21.7121 -21.7121 -20.9622 -20.9622 -20.8925 -20.8925 -19.1234 -19.1234 -14.3785 -14.3785 -9.0405 -9.0405 -7.5230 -7.5230 -5.4937 -5.4937 -5.4122 -5.4122 -5.3798 -5.3798 -5.1609 -5.1609 -4.9381 -4.9381 -4.8796 -4.8796 -3.2312 -3.2312 -3.1937 -3.1937 -3.1276 -3.1276 -2.6559 -2.6559 -2.5797 -2.5797 -1.9383 -1.9383 -1.8935 -1.8935 -1.7276 -1.7276 -1.6794 -1.6794 -1.6282 -1.6282 -1.5549 -1.5549 -0.9701 -0.9701 -0.8515 -0.8515 -0.8258 -0.8258 -0.2693 -0.2693 -0.1998 -0.1998 2.8706 2.8706 3.1611 3.1611 6.5221 6.5221 6.7397 6.7397 8.6138 8.6138 9.2432 9.2432 k = 0.1042 0.0719 0.5476 ( 6751 PWs) bands (ev): -23.6122 -23.6122 -21.7916 -21.7916 -21.7677 -21.7677 -21.7119 -21.7119 -20.9618 -20.9618 -20.8927 -20.8927 -19.1234 -19.1234 -14.3792 -14.3792 -9.0384 -9.0384 -7.5188 -7.5188 -5.4950 -5.4950 -5.4166 -5.4166 -5.3913 -5.3913 -5.1471 -5.1471 -4.9385 -4.9385 -4.8792 -4.8792 -3.2353 -3.2353 -3.1905 -3.1905 -3.1249 -3.1249 -2.6569 -2.6569 -2.5836 -2.5836 -1.9367 -1.9367 -1.8924 -1.8924 -1.7276 -1.7276 -1.6841 -1.6841 -1.6299 -1.6299 -1.5562 -1.5562 -0.9750 -0.9750 -0.8508 -0.8508 -0.8252 -0.8252 -0.2636 -0.2636 -0.1886 -0.1886 2.8707 2.8707 3.1458 3.1458 6.5040 6.5040 6.7497 6.7497 8.6139 8.6139 9.2664 9.2664 k = 0.1191 0.0822 0.5476 ( 6743 PWs) bands (ev): -23.6118 -23.6118 -21.7921 -21.7921 -21.7684 -21.7684 -21.7116 -21.7116 -20.9612 -20.9612 -20.8930 -20.8930 -19.1233 -19.1233 -14.3799 -14.3799 -9.0360 -9.0360 -7.5141 -7.5141 -5.4968 -5.4968 -5.4250 -5.4250 -5.3974 -5.3974 -5.1351 -5.1351 -4.9391 -4.9391 -4.8787 -4.8787 -3.2394 -3.2394 -3.1867 -3.1867 -3.1218 -3.1218 -2.6579 -2.6579 -2.5876 -2.5876 -1.9350 -1.9350 -1.8914 -1.8914 -1.7285 -1.7285 -1.6895 -1.6895 -1.6313 -1.6313 -1.5576 -1.5576 -0.9802 -0.9802 -0.8499 -0.8499 -0.8246 -0.8246 -0.2575 -0.2575 -0.1760 -0.1760 2.8706 2.8706 3.1287 3.1287 6.4859 6.4859 6.7591 6.7591 8.6137 8.6137 9.2931 9.2931 k = 0.1340 0.0925 0.5476 ( 6747 PWs) bands (ev): -23.6113 -23.6113 -21.7927 -21.7927 -21.7691 -21.7691 -21.7114 -21.7114 -20.9607 -20.9607 -20.8933 -20.8933 -19.1233 -19.1233 -14.3808 -14.3808 -9.0334 -9.0334 -7.5089 -7.5089 -5.4993 -5.4993 -5.4353 -5.4353 -5.3997 -5.3997 -5.1252 -5.1252 -4.9399 -4.9399 -4.8781 -4.8781 -3.2434 -3.2434 -3.1824 -3.1824 -3.1183 -3.1183 -2.6587 -2.6587 -2.5915 -2.5915 -1.9334 -1.9334 -1.8905 -1.8905 -1.7309 -1.7309 -1.6955 -1.6955 -1.6324 -1.6324 -1.5591 -1.5591 -0.9856 -0.9856 -0.8489 -0.8489 -0.8239 -0.8239 -0.2508 -0.2508 -0.1622 -0.1622 2.8704 2.8704 3.1100 3.1100 6.4679 6.4679 6.7679 6.7679 8.6130 8.6130 9.3230 9.3230 k = 0.1488 0.1028 0.5476 ( 6745 PWs) bands (ev): -23.6107 -23.6107 -21.7933 -21.7933 -21.7699 -21.7699 -21.7111 -21.7111 -20.9600 -20.9600 -20.8936 -20.8936 -19.1232 -19.1232 -14.3817 -14.3817 -9.0306 -9.0306 -7.5033 -7.5033 -5.5029 -5.5029 -5.4449 -5.4449 -5.4005 -5.4005 -5.1173 -5.1173 -4.9410 -4.9410 -4.8775 -4.8775 -3.2469 -3.2469 -3.1777 -3.1777 -3.1144 -3.1144 -2.6593 -2.6593 -2.5952 -2.5952 -1.9320 -1.9320 -1.8898 -1.8898 -1.7350 -1.7350 -1.7021 -1.7021 -1.6328 -1.6328 -1.5607 -1.5607 -0.9910 -0.9910 -0.8478 -0.8478 -0.8231 -0.8231 -0.2435 -0.2435 -0.1474 -0.1474 2.8699 2.8699 3.0900 3.0900 6.4505 6.4505 6.7760 6.7760 8.6118 8.6118 9.3563 9.3563 k = 0.1637 0.1130 0.5476 ( 6740 PWs) bands (ev): -23.6102 -23.6102 -21.7940 -21.7940 -21.7708 -21.7708 -21.7108 -21.7108 -20.9593 -20.9593 -20.8939 -20.8939 -19.1232 -19.1232 -14.3826 -14.3826 -9.0275 -9.0275 -7.4972 -7.4972 -5.5075 -5.5075 -5.4527 -5.4527 -5.4005 -5.4005 -5.1115 -5.1115 -4.9424 -4.9424 -4.8770 -4.8770 -3.2498 -3.2498 -3.1727 -3.1727 -3.1100 -3.1100 -2.6597 -2.6597 -2.5986 -2.5986 -1.9309 -1.9309 -1.8891 -1.8891 -1.7408 -1.7408 -1.7093 -1.7093 -1.6327 -1.6327 -1.5624 -1.5624 -0.9964 -0.9964 -0.8467 -0.8467 -0.8223 -0.8223 -0.2357 -0.2357 -0.1320 -0.1320 2.8691 2.8691 3.0688 3.0688 6.4337 6.4337 6.7835 6.7835 8.6100 8.6100 9.3927 9.3927 k = 0.1786 0.1233 0.5476 ( 6739 PWs) bands (ev): -23.6096 -23.6096 -21.7946 -21.7946 -21.7717 -21.7717 -21.7105 -21.7105 -20.9586 -20.9586 -20.8942 -20.8942 -19.1231 -19.1231 -14.3836 -14.3836 -9.0242 -9.0242 -7.4908 -7.4908 -5.5132 -5.5132 -5.4583 -5.4583 -5.4003 -5.4003 -5.1079 -5.1079 -4.9441 -4.9441 -4.8767 -4.8767 -3.2518 -3.2518 -3.1673 -3.1673 -3.1053 -3.1053 -2.6597 -2.6597 -2.6016 -2.6016 -1.9303 -1.9303 -1.8885 -1.8885 -1.7485 -1.7485 -1.7168 -1.7168 -1.6320 -1.6320 -1.5641 -1.5641 -1.0017 -1.0017 -0.8455 -0.8455 -0.8215 -0.8215 -0.2273 -0.2273 -0.1161 -0.1161 2.8679 2.8679 3.0468 3.0468 6.4178 6.4178 6.7904 6.7904 8.6074 8.6074 9.4324 9.4324 k = 0.1935 0.1336 0.5476 ( 6732 PWs) bands (ev): -23.6089 -23.6089 -21.7954 -21.7954 -21.7726 -21.7726 -21.7102 -21.7102 -20.9579 -20.9579 -20.8945 -20.8945 -19.1230 -19.1230 -14.3847 -14.3847 -9.0208 -9.0208 -7.4842 -7.4842 -5.5195 -5.5195 -5.4620 -5.4620 -5.3998 -5.3998 -5.1063 -5.1063 -4.9462 -4.9462 -4.8769 -4.8769 -3.2527 -3.2527 -3.1616 -3.1616 -3.1001 -3.1001 -2.6592 -2.6592 -2.6041 -2.6041 -1.9302 -1.9302 -1.8881 -1.8881 -1.7579 -1.7579 -1.7248 -1.7248 -1.6311 -1.6311 -1.5659 -1.5659 -1.0067 -1.0067 -0.8442 -0.8442 -0.8206 -0.8206 -0.2183 -0.2183 -0.1000 -0.1000 2.8663 2.8663 3.0243 3.0243 6.4030 6.4030 6.7967 6.7967 8.6040 8.6040 9.4752 9.4752 k = 0.2084 0.1439 0.5476 ( 6730 PWs) bands (ev): -23.6083 -23.6083 -21.7961 -21.7961 -21.7736 -21.7736 -21.7098 -21.7098 -20.9571 -20.9571 -20.8949 -20.8949 -19.1230 -19.1230 -14.3858 -14.3858 -9.0173 -9.0173 -7.4773 -7.4773 -5.5260 -5.5260 -5.4640 -5.4640 -5.3991 -5.3991 -5.1066 -5.1066 -4.9487 -4.9487 -4.8776 -4.8776 -3.2523 -3.2523 -3.1558 -3.1558 -3.0946 -3.0946 -2.6583 -2.6583 -2.6059 -2.6059 -1.9309 -1.9309 -1.8878 -1.8878 -1.7689 -1.7689 -1.7330 -1.7330 -1.6300 -1.6300 -1.5677 -1.5677 -1.0113 -1.0113 -0.8429 -0.8429 -0.8196 -0.8196 -0.2087 -0.2087 -0.0840 -0.0840 2.8642 2.8642 3.0014 3.0014 6.3893 6.3893 6.8024 6.8024 8.5998 8.5998 9.5210 9.5210 k = 0.2233 0.1541 0.5476 ( 6732 PWs) bands (ev): -23.6076 -23.6076 -21.7969 -21.7969 -21.7746 -21.7746 -21.7095 -21.7095 -20.9563 -20.9563 -20.8952 -20.8952 -19.1229 -19.1229 -14.3869 -14.3869 -9.0136 -9.0136 -7.4702 -7.4702 -5.5320 -5.5320 -5.4650 -5.4650 -5.3983 -5.3983 -5.1087 -5.1087 -4.9516 -4.9516 -4.8790 -4.8790 -3.2505 -3.2505 -3.1499 -3.1499 -3.0887 -3.0887 -2.6568 -2.6568 -2.6071 -2.6071 -1.9324 -1.9324 -1.8878 -1.8878 -1.7810 -1.7810 -1.7413 -1.7413 -1.6290 -1.6290 -1.5695 -1.5695 -1.0156 -1.0156 -0.8416 -0.8416 -0.8186 -0.8186 -0.1986 -0.1986 -0.0682 -0.0682 2.8616 2.8616 2.9785 2.9785 6.3770 6.3770 6.8076 6.8076 8.5946 8.5946 9.5697 9.5697 k = 0.2381 0.1644 0.5476 ( 6730 PWs) bands (ev): -23.6069 -23.6069 -21.7976 -21.7976 -21.7756 -21.7756 -21.7091 -21.7091 -20.9555 -20.9555 -20.8956 -20.8956 -19.1228 -19.1228 -14.3881 -14.3881 -9.0099 -9.0099 -7.4630 -7.4630 -5.5374 -5.5374 -5.4651 -5.4651 -5.3975 -5.3975 -5.1125 -5.1125 -4.9549 -4.9549 -4.8813 -4.8813 -3.2472 -3.2472 -3.1439 -3.1439 -3.0824 -3.0824 -2.6548 -2.6548 -2.6076 -2.6076 -1.9349 -1.9349 -1.8880 -1.8880 -1.7941 -1.7941 -1.7497 -1.7497 -1.6283 -1.6283 -1.5713 -1.5713 -1.0194 -1.0194 -0.8403 -0.8403 -0.8176 -0.8176 -0.1880 -0.1880 -0.0529 -0.0529 2.8584 2.8584 2.9559 2.9559 6.3661 6.3661 6.8124 6.8124 8.5887 8.5887 9.6211 9.6211 k = 0.2530 0.1747 0.5476 ( 6732 PWs) bands (ev): -23.6062 -23.6062 -21.7984 -21.7984 -21.7766 -21.7766 -21.7087 -21.7087 -20.9547 -20.9547 -20.8960 -20.8960 -19.1228 -19.1228 -14.3892 -14.3892 -9.0061 -9.0061 -7.4558 -7.4558 -5.5417 -5.5417 -5.4646 -5.4646 -5.3966 -5.3966 -5.1176 -5.1176 -4.9587 -4.9587 -4.8846 -4.8846 -3.2425 -3.2425 -3.1379 -3.1379 -3.0759 -3.0759 -2.6520 -2.6520 -2.6074 -2.6074 -1.9386 -1.9386 -1.8886 -1.8886 -1.8077 -1.8077 -1.7579 -1.7579 -1.6280 -1.6280 -1.5732 -1.5732 -1.0228 -1.0228 -0.8389 -0.8389 -0.8165 -0.8165 -0.1772 -0.1772 -0.0382 -0.0382 2.8543 2.8543 2.9341 2.9341 6.3566 6.3566 6.8166 6.8166 8.5819 8.5819 9.6749 9.6749 k = 0.2679 0.1850 0.5476 ( 6730 PWs) bands (ev): -23.6055 -23.6055 -21.7992 -21.7992 -21.7777 -21.7777 -21.7084 -21.7084 -20.9539 -20.9539 -20.8963 -20.8963 -19.1227 -19.1227 -14.3904 -14.3904 -9.0023 -9.0023 -7.4487 -7.4487 -5.5449 -5.5449 -5.4636 -5.4636 -5.3956 -5.3956 -5.1240 -5.1240 -4.9628 -4.9628 -4.8888 -4.8888 -3.2364 -3.2364 -3.1319 -3.1319 -3.0690 -3.0690 -2.6487 -2.6487 -2.6066 -2.6066 -1.9435 -1.9435 -1.8898 -1.8898 -1.8214 -1.8214 -1.7659 -1.7659 -1.6281 -1.6281 -1.5750 -1.5750 -1.0256 -1.0256 -0.8376 -0.8376 -0.8155 -0.8155 -0.1660 -0.1660 -0.0242 -0.0242 2.8492 2.8492 2.9135 2.9135 6.3487 6.3487 6.8203 6.8203 8.5745 8.5745 9.7306 9.7306 k = 0.2828 0.1953 0.5476 ( 6718 PWs) bands (ev): -23.6048 -23.6048 -21.8000 -21.8000 -21.7787 -21.7787 -21.7080 -21.7080 -20.9531 -20.9531 -20.8967 -20.8967 -19.1226 -19.1226 -14.3915 -14.3915 -8.9986 -8.9986 -7.4416 -7.4416 -5.5470 -5.5470 -5.4622 -5.4622 -5.3945 -5.3945 -5.1316 -5.1316 -4.9672 -4.9672 -4.8939 -4.8939 -3.2288 -3.2288 -3.1261 -3.1261 -3.0619 -3.0619 -2.6447 -2.6447 -2.6050 -2.6050 -1.9499 -1.9499 -1.8918 -1.8918 -1.8348 -1.8348 -1.7733 -1.7733 -1.6287 -1.6287 -1.5768 -1.5768 -1.0280 -1.0280 -0.8363 -0.8363 -0.8144 -0.8144 -0.1548 -0.1548 -0.0111 -0.0111 2.8425 2.8425 2.8948 2.8948 6.3423 6.3423 6.8236 6.8236 8.5664 8.5664 9.7877 9.7877 k = 0.2977 0.2055 0.5476 ( 6720 PWs) bands (ev): -23.6041 -23.6041 -21.8007 -21.8007 -21.7796 -21.7796 -21.7077 -21.7077 -20.9523 -20.9523 -20.8970 -20.8970 -19.1226 -19.1226 -14.3926 -14.3926 -8.9949 -8.9949 -7.4346 -7.4346 -5.5477 -5.5477 -5.4606 -5.4606 -5.3935 -5.3935 -5.1401 -5.1401 -4.9720 -4.9720 -4.8999 -4.8999 -3.2201 -3.2201 -3.1205 -3.1205 -3.0546 -3.0546 -2.6402 -2.6402 -2.6029 -2.6029 -1.9577 -1.9577 -1.8948 -1.8948 -1.8476 -1.8476 -1.7800 -1.7800 -1.6299 -1.6299 -1.5786 -1.5786 -1.0298 -1.0298 -0.8351 -0.8351 -0.8133 -0.8133 -0.1435 -0.1435 0.0011 0.0011 2.8336 2.8336 2.8790 2.8790 6.3374 6.3374 6.8265 6.8265 8.5579 8.5579 9.8451 9.8451 k = 0.3126 0.2158 0.5476 ( 6717 PWs) bands (ev): -23.6035 -23.6035 -21.8015 -21.8015 -21.7806 -21.7806 -21.7073 -21.7073 -20.9515 -20.9515 -20.8974 -20.8974 -19.1225 -19.1225 -14.3937 -14.3937 -8.9912 -8.9912 -7.4279 -7.4279 -5.5472 -5.5472 -5.4588 -5.4588 -5.3924 -5.3924 -5.1494 -5.1494 -4.9770 -4.9770 -4.9066 -4.9066 -3.2103 -3.2103 -3.1152 -3.1152 -3.0471 -3.0471 -2.6351 -2.6351 -2.6002 -2.6002 -1.9671 -1.9671 -1.8989 -1.8989 -1.8593 -1.8593 -1.7859 -1.7859 -1.6315 -1.6315 -1.5803 -1.5803 -1.0312 -1.0312 -0.8339 -0.8339 -0.8123 -0.8123 -0.1324 -0.1324 0.0123 0.0123 2.8221 2.8221 2.8666 2.8666 6.3339 6.3339 6.8288 6.8288 8.5490 8.5490 9.9015 9.9015 k = 0.3274 0.2261 0.5476 ( 6717 PWs) bands (ev): -23.6028 -23.6028 -21.8022 -21.8022 -21.7815 -21.7815 -21.7070 -21.7070 -20.9508 -20.9508 -20.8977 -20.8977 -19.1225 -19.1225 -14.3947 -14.3947 -8.9877 -8.9877 -7.4214 -7.4214 -5.5456 -5.5456 -5.4569 -5.4569 -5.3914 -5.3914 -5.1594 -5.1594 -4.9822 -4.9822 -4.9139 -4.9139 -3.1997 -3.1997 -3.1101 -3.1101 -3.0396 -3.0396 -2.6295 -2.6295 -2.5970 -2.5970 -1.9779 -1.9779 -1.9041 -1.9041 -1.8698 -1.8698 -1.7909 -1.7909 -1.6335 -1.6335 -1.5820 -1.5820 -1.0321 -1.0321 -0.8327 -0.8327 -0.8112 -0.8112 -0.1215 -0.1215 0.0224 0.0224 2.8086 2.8086 2.8572 2.8572 6.3318 6.3318 6.8307 6.8307 8.5400 8.5400 9.9543 9.9543 k = 0.3423 0.2364 0.5476 ( 6717 PWs) bands (ev): -23.6022 -23.6022 -21.8029 -21.8029 -21.7824 -21.7824 -21.7067 -21.7067 -20.9501 -20.9501 -20.8980 -20.8980 -19.1224 -19.1224 -14.3957 -14.3957 -8.9844 -8.9844 -7.4152 -7.4152 -5.5427 -5.5427 -5.4550 -5.4550 -5.3903 -5.3903 -5.1700 -5.1700 -4.9875 -4.9875 -4.9214 -4.9214 -3.1885 -3.1885 -3.1054 -3.1054 -3.0321 -3.0321 -2.6236 -2.6236 -2.5934 -2.5934 -1.9900 -1.9900 -1.9102 -1.9102 -1.8791 -1.8791 -1.7950 -1.7950 -1.6359 -1.6359 -1.5836 -1.5836 -1.0326 -1.0326 -0.8316 -0.8316 -0.8102 -0.8102 -0.1110 -0.1110 0.0315 0.0315 2.7943 2.7943 2.8500 2.8500 6.3310 6.3310 6.8322 6.8322 8.5309 8.5309 9.9998 9.9998 k = 0.3572 0.2466 0.5476 ( 6724 PWs) bands (ev): -23.6017 -23.6017 -21.8035 -21.8035 -21.7832 -21.7832 -21.7064 -21.7064 -20.9495 -20.9495 -20.8983 -20.8983 -19.1224 -19.1224 -14.3966 -14.3966 -8.9812 -8.9812 -7.4094 -7.4094 -5.5388 -5.5388 -5.4532 -5.4532 -5.3893 -5.3893 -5.1809 -5.1809 -4.9928 -4.9928 -4.9291 -4.9291 -3.1769 -3.1769 -3.1010 -3.1010 -3.0248 -3.0248 -2.6175 -2.6175 -2.5895 -2.5895 -2.0028 -2.0028 -1.9169 -1.9169 -1.8876 -1.8876 -1.7981 -1.7981 -1.6386 -1.6386 -1.5851 -1.5851 -1.0328 -1.0328 -0.8305 -0.8305 -0.8093 -0.8093 -0.1010 -0.1010 0.0395 0.0395 2.7802 2.7802 2.8439 2.8439 6.3313 6.3313 6.8332 6.8332 8.5219 8.5219 10.0330 10.0330 k = 0.3721 0.2569 0.5476 ( 6726 PWs) bands (ev): -23.6011 -23.6011 -21.8041 -21.8041 -21.7840 -21.7840 -21.7061 -21.7061 -20.9489 -20.9489 -20.8986 -20.8986 -19.1224 -19.1224 -14.3974 -14.3974 -8.9783 -8.9783 -7.4040 -7.4040 -5.5339 -5.5339 -5.4515 -5.4515 -5.3884 -5.3884 -5.1919 -5.1919 -4.9981 -4.9981 -4.9367 -4.9367 -3.1654 -3.1654 -3.0970 -3.0970 -3.0177 -3.0177 -2.6112 -2.6112 -2.5854 -2.5854 -2.0161 -2.0161 -1.9237 -1.9237 -1.8955 -1.8955 -1.8004 -1.8004 -1.6414 -1.6414 -1.5866 -1.5866 -1.0326 -1.0326 -0.8296 -0.8296 -0.8084 -0.8084 -0.0916 -0.0916 0.0465 0.0465 2.7668 2.7668 2.8386 2.8386 6.3325 6.3325 6.8337 6.8337 8.5132 8.5132 10.0502 10.0502 k = 0.3870 0.2672 0.5476 ( 6734 PWs) bands (ev): -23.6007 -23.6007 -21.8047 -21.8047 -21.7847 -21.7847 -21.7059 -21.7059 -20.9483 -20.9483 -20.8988 -20.8988 -19.1223 -19.1223 -14.3982 -14.3982 -8.9756 -8.9756 -7.3991 -7.3991 -5.5282 -5.5282 -5.4502 -5.4502 -5.3875 -5.3875 -5.2029 -5.2029 -5.0031 -5.0031 -4.9440 -4.9440 -3.1541 -3.1541 -3.0934 -3.0934 -3.0109 -3.0109 -2.6050 -2.6050 -2.5812 -2.5812 -2.0292 -2.0292 -1.9304 -1.9304 -1.9029 -1.9029 -1.8021 -1.8021 -1.6443 -1.6443 -1.5879 -1.5879 -1.0322 -1.0322 -0.8287 -0.8287 -0.8075 -0.8075 -0.0830 -0.0830 0.0526 0.0526 2.7546 2.7546 2.8339 2.8339 6.3346 6.3346 6.8339 6.8339 8.5050 8.5050 10.0525 10.0525 k = 0.4019 0.2775 0.5476 ( 6733 PWs) bands (ev): -23.6002 -23.6002 -21.8052 -21.8052 -21.7853 -21.7853 -21.7057 -21.7057 -20.9479 -20.9479 -20.8990 -20.8990 -19.1223 -19.1223 -14.3989 -14.3989 -8.9732 -8.9732 -7.3947 -7.3947 -5.5219 -5.5219 -5.4492 -5.4492 -5.3868 -5.3868 -5.2134 -5.2134 -5.0079 -5.0079 -4.9507 -4.9507 -3.1434 -3.1434 -3.0901 -3.0901 -3.0046 -3.0046 -2.5991 -2.5991 -2.5771 -2.5771 -2.0418 -2.0418 -1.9367 -1.9367 -1.9097 -1.9097 -1.8032 -1.8032 -1.6471 -1.6471 -1.5891 -1.5891 -1.0316 -1.0316 -0.8279 -0.8279 -0.8068 -0.8068 -0.0752 -0.0752 0.0576 0.0576 2.7437 2.7437 2.8297 2.8297 6.3373 6.3373 6.8336 6.8336 8.4973 8.4973 10.0449 10.0449 k = 0.4167 0.2877 0.5476 ( 6731 PWs) bands (ev): -23.5999 -23.5999 -21.8056 -21.8056 -21.7858 -21.7858 -21.7055 -21.7055 -20.9474 -20.9474 -20.8992 -20.8992 -19.1223 -19.1223 -14.3995 -14.3995 -8.9710 -8.9710 -7.3908 -7.3908 -5.5153 -5.5153 -5.4488 -5.4488 -5.3861 -5.3861 -5.2234 -5.2234 -5.0123 -5.0123 -4.9568 -4.9568 -3.1335 -3.1335 -3.0873 -3.0873 -2.9988 -2.9988 -2.5935 -2.5935 -2.5733 -2.5733 -2.0535 -2.0535 -1.9426 -1.9426 -1.9160 -1.9160 -1.8039 -1.8039 -1.6498 -1.6498 -1.5901 -1.5901 -1.0310 -1.0310 -0.8272 -0.8272 -0.8061 -0.8061 -0.0683 -0.0683 0.0618 0.0618 2.7343 2.7343 2.8260 2.8260 6.3404 6.3404 6.8329 6.8329 8.4904 8.4904 10.0326 10.0326 k = 0.4316 0.2980 0.5476 ( 6721 PWs) bands (ev): -23.5995 -23.5995 -21.8060 -21.8060 -21.7863 -21.7863 -21.7053 -21.7053 -20.9471 -20.9471 -20.8994 -20.8994 -19.1222 -19.1222 -14.4000 -14.4000 -8.9692 -8.9692 -7.3875 -7.3875 -5.5086 -5.5086 -5.4488 -5.4488 -5.3855 -5.3855 -5.2324 -5.2324 -5.0162 -5.0162 -4.9620 -4.9620 -3.1247 -3.1247 -3.0849 -3.0849 -2.9938 -2.9938 -2.5885 -2.5885 -2.5698 -2.5698 -2.0639 -2.0639 -1.9478 -1.9478 -1.9215 -1.9215 -1.8044 -1.8044 -1.6522 -1.6522 -1.5910 -1.5910 -1.0302 -1.0302 -0.8266 -0.8266 -0.8056 -0.8056 -0.0624 -0.0624 0.0652 0.0652 2.7265 2.7265 2.8228 2.8228 6.3437 6.3437 6.8319 6.8319 8.4843 8.4843 10.0189 10.0189 k = 0.4465 0.3083 0.5476 ( 6723 PWs) bands (ev): -23.5993 -23.5993 -21.8063 -21.8063 -21.7866 -21.7866 -21.7051 -21.7051 -20.9468 -20.9468 -20.8995 -20.8995 -19.1222 -19.1222 -14.4005 -14.4005 -8.9677 -8.9677 -7.3847 -7.3847 -5.5023 -5.5023 -5.4494 -5.4494 -5.3850 -5.3850 -5.2400 -5.2400 -5.0195 -5.0195 -4.9663 -4.9663 -3.1172 -3.1172 -3.0829 -3.0829 -2.9897 -2.9897 -2.5843 -2.5843 -2.5668 -2.5668 -2.0726 -2.0726 -1.9523 -1.9523 -1.9262 -1.9262 -1.8047 -1.8047 -1.6542 -1.6542 -1.5918 -1.5918 -1.0295 -1.0295 -0.8261 -0.8261 -0.8051 -0.8051 -0.0576 -0.0576 0.0677 0.0677 2.7202 2.7202 2.8201 2.8201 6.3471 6.3471 6.8307 6.8307 8.4792 8.4792 10.0061 10.0061 k = 0.4614 0.3186 0.5476 ( 6714 PWs) bands (ev): -23.5991 -23.5991 -21.8065 -21.8065 -21.7869 -21.7869 -21.7050 -21.7050 -20.9465 -20.9465 -20.8996 -20.8996 -19.1222 -19.1222 -14.4008 -14.4008 -8.9666 -8.9666 -7.3826 -7.3826 -5.4969 -5.4969 -5.4504 -5.4504 -5.3846 -5.3846 -5.2461 -5.2461 -5.0221 -5.0221 -4.9694 -4.9694 -3.1113 -3.1113 -3.0813 -3.0813 -2.9865 -2.9865 -2.5810 -2.5810 -2.5644 -2.5644 -2.0795 -2.0795 -1.9558 -1.9558 -1.9300 -1.9300 -1.8048 -1.8048 -1.6559 -1.6559 -1.5924 -1.5924 -1.0289 -1.0289 -0.8257 -0.8257 -0.8047 -0.8047 -0.0540 -0.0540 0.0696 0.0696 2.7155 2.7155 2.8180 2.8180 6.3504 6.3504 6.8292 6.8292 8.4750 8.4750 9.9954 9.9954 k = 0.4763 0.3288 0.5476 ( 6716 PWs) bands (ev): -23.5989 -23.5989 -21.8067 -21.8067 -21.7871 -21.7871 -21.7050 -21.7050 -20.9464 -20.9464 -20.8997 -20.8997 -19.1222 -19.1222 -14.4010 -14.4010 -8.9658 -8.9658 -7.3812 -7.3812 -5.4933 -5.4933 -5.4512 -5.4512 -5.3842 -5.3842 -5.2503 -5.2503 -5.0240 -5.0240 -4.9714 -4.9714 -3.1070 -3.1070 -3.0802 -3.0802 -2.9843 -2.9843 -2.5786 -2.5786 -2.5628 -2.5628 -2.0842 -2.0842 -1.9583 -1.9583 -1.9327 -1.9327 -1.8048 -1.8048 -1.6571 -1.6571 -1.5928 -1.5928 -1.0284 -1.0284 -0.8254 -0.8254 -0.8045 -0.8045 -0.0514 -0.0514 0.0707 0.0707 2.7124 2.7124 2.8166 2.8166 6.3533 6.3533 6.8275 6.8275 8.4720 8.4720 9.9877 9.9877 k = 0.4912 0.3391 0.5476 ( 6716 PWs) bands (ev): -23.5989 -23.5989 -21.8067 -21.8067 -21.7872 -21.7872 -21.7049 -21.7049 -20.9463 -20.9463 -20.8997 -20.8997 -19.1222 -19.1222 -14.4011 -14.4011 -8.9654 -8.9654 -7.3803 -7.3803 -5.4920 -5.4920 -5.4515 -5.4515 -5.3838 -5.3838 -5.2524 -5.2524 -5.0251 -5.0251 -4.9722 -4.9722 -3.1045 -3.1045 -3.0795 -3.0795 -2.9832 -2.9832 -2.5774 -2.5774 -2.5621 -2.5621 -2.0868 -2.0868 -1.9596 -1.9596 -1.9341 -1.9341 -1.8048 -1.8048 -1.6579 -1.6579 -1.5931 -1.5931 -1.0280 -1.0280 -0.8253 -0.8253 -0.8043 -0.8043 -0.0501 -0.0501 0.0712 0.0712 2.7109 2.7109 2.8157 2.8157 6.3559 6.3559 6.8258 6.8258 8.4701 8.4701 9.9832 9.9832 k = 0.5000 0.3452-0.0122 ( 6722 PWs) bands (ev): -23.6138 -23.6138 -21.8107 -21.8107 -21.7937 -21.7937 -21.6746 -21.6746 -20.9449 -20.9449 -20.8964 -20.8964 -19.1235 -19.1235 -14.3990 -14.3990 -9.0066 -9.0066 -7.3809 -7.3809 -5.7145 -5.7145 -5.4605 -5.4605 -5.3403 -5.3403 -5.2739 -5.2739 -4.8840 -4.8840 -4.6435 -4.6435 -3.3082 -3.3082 -3.2327 -3.2327 -3.1887 -3.1887 -2.6819 -2.6819 -2.6094 -2.6094 -1.8728 -1.8728 -1.8506 -1.8506 -1.7779 -1.7779 -1.6909 -1.6909 -1.6436 -1.6436 -1.4475 -1.4475 -1.0253 -1.0253 -0.9094 -0.9094 -0.8280 -0.8280 -0.1271 -0.1271 0.0874 0.0874 2.6611 2.6611 2.8506 2.8506 5.8036 5.8036 7.1368 7.1368 8.8276 8.8276 9.3396 9.3396 k = 0.5101 0.3307-0.0122 ( 6720 PWs) bands (ev): -23.6138 -23.6138 -21.8107 -21.8107 -21.7937 -21.7937 -21.6746 -21.6746 -20.9449 -20.9449 -20.8964 -20.8964 -19.1235 -19.1235 -14.3989 -14.3989 -9.0067 -9.0067 -7.3810 -7.3810 -5.7141 -5.7141 -5.4604 -5.4604 -5.3403 -5.3403 -5.2738 -5.2738 -4.8839 -4.8839 -4.6442 -4.6442 -3.3080 -3.3080 -3.2326 -3.2326 -3.1882 -3.1882 -2.6818 -2.6818 -2.6095 -2.6095 -1.8726 -1.8726 -1.8504 -1.8504 -1.7783 -1.7783 -1.6909 -1.6909 -1.6440 -1.6440 -1.4476 -1.4476 -1.0253 -1.0253 -0.9093 -0.9093 -0.8280 -0.8280 -0.1271 -0.1271 0.0867 0.0867 2.6614 2.6614 2.8508 2.8508 5.8046 5.8046 7.1366 7.1366 8.8277 8.8277 9.3388 9.3388 k = 0.5201 0.3161-0.0122 ( 6722 PWs) bands (ev): -23.6138 -23.6138 -21.8106 -21.8106 -21.7936 -21.7936 -21.6747 -21.6747 -20.9450 -20.9450 -20.8964 -20.8964 -19.1235 -19.1235 -14.3989 -14.3989 -9.0071 -9.0071 -7.3813 -7.3813 -5.7129 -5.7129 -5.4602 -5.4602 -5.3401 -5.3401 -5.2735 -5.2735 -4.8838 -4.8838 -4.6464 -4.6464 -3.3075 -3.3075 -3.2323 -3.2323 -3.1869 -3.1869 -2.6813 -2.6813 -2.6099 -2.6099 -1.8721 -1.8721 -1.8497 -1.8497 -1.7797 -1.7797 -1.6910 -1.6910 -1.6452 -1.6452 -1.4479 -1.4479 -1.0254 -1.0254 -0.9090 -0.9090 -0.8281 -0.8281 -0.1272 -0.1272 0.0847 0.0847 2.6623 2.6623 2.8514 2.8514 5.8077 5.8077 7.1361 7.1361 8.8278 8.8278 9.3365 9.3365 k = 0.5302 0.3015-0.0122 ( 6718 PWs) bands (ev): -23.6139 -23.6139 -21.8106 -21.8106 -21.7936 -21.7936 -21.6747 -21.6747 -20.9451 -20.9451 -20.8963 -20.8963 -19.1234 -19.1234 -14.3988 -14.3988 -9.0077 -9.0077 -7.3817 -7.3817 -5.7110 -5.7110 -5.4598 -5.4598 -5.3398 -5.3398 -5.2730 -5.2730 -4.8837 -4.8837 -4.6499 -4.6499 -3.3065 -3.3065 -3.2318 -3.2318 -3.1848 -3.1848 -2.6806 -2.6806 -2.6105 -2.6105 -1.8712 -1.8712 -1.8486 -1.8486 -1.7820 -1.7820 -1.6911 -1.6911 -1.6471 -1.6471 -1.4483 -1.4483 -1.0254 -1.0254 -0.9085 -0.9085 -0.8281 -0.8281 -0.1272 -0.1272 0.0815 0.0815 2.6637 2.6637 2.8525 2.8525 5.8129 5.8129 7.1352 7.1352 8.8280 8.8280 9.3327 9.3327 k = 0.5402 0.2870-0.0122 ( 6710 PWs) bands (ev): -23.6140 -23.6140 -21.8105 -21.8105 -21.7934 -21.7934 -21.6747 -21.6747 -20.9452 -20.9452 -20.8962 -20.8962 -19.1234 -19.1234 -14.3986 -14.3986 -9.0085 -9.0085 -7.3823 -7.3823 -5.7084 -5.7084 -5.4593 -5.4593 -5.3394 -5.3394 -5.2723 -5.2723 -4.8834 -4.8834 -4.6548 -4.6548 -3.3052 -3.3052 -3.2311 -3.2311 -3.1819 -3.1819 -2.6796 -2.6796 -2.6114 -2.6114 -1.8699 -1.8699 -1.8469 -1.8469 -1.7851 -1.7851 -1.6912 -1.6912 -1.6497 -1.6497 -1.4490 -1.4490 -1.0255 -1.0255 -0.9079 -0.9079 -0.8281 -0.8281 -0.1273 -0.1273 0.0769 0.0769 2.6658 2.6658 2.8540 2.8540 5.8200 5.8200 7.1339 7.1339 8.8282 8.8282 9.3272 9.3272 k = 0.5503 0.2724-0.0122 ( 6710 PWs) bands (ev): -23.6141 -23.6141 -21.8104 -21.8104 -21.7933 -21.7933 -21.6747 -21.6747 -20.9455 -20.9455 -20.8961 -20.8961 -19.1234 -19.1234 -14.3985 -14.3985 -9.0096 -9.0096 -7.3831 -7.3831 -5.7050 -5.7050 -5.4587 -5.4587 -5.3389 -5.3389 -5.2714 -5.2714 -4.8831 -4.8831 -4.6611 -4.6611 -3.3036 -3.3036 -3.2302 -3.2302 -3.1782 -3.1782 -2.6783 -2.6783 -2.6126 -2.6126 -1.8685 -1.8685 -1.8448 -1.8448 -1.7889 -1.7889 -1.6914 -1.6914 -1.6530 -1.6530 -1.4498 -1.4498 -1.0257 -1.0257 -0.9070 -0.9070 -0.8281 -0.8281 -0.1275 -0.1275 0.0712 0.0712 2.6684 2.6684 2.8559 2.8559 5.8291 5.8291 7.1322 7.1322 8.8283 8.8283 9.3201 9.3201 k = 0.5604 0.2578-0.0122 ( 6708 PWs) bands (ev): -23.6142 -23.6142 -21.8102 -21.8102 -21.7931 -21.7931 -21.6748 -21.6748 -20.9457 -20.9457 -20.8960 -20.8960 -19.1233 -19.1233 -14.3982 -14.3982 -9.0108 -9.0108 -7.3841 -7.3841 -5.7009 -5.7009 -5.4579 -5.4579 -5.3384 -5.3384 -5.2703 -5.2703 -4.8828 -4.8828 -4.6685 -4.6685 -3.3018 -3.3018 -3.2291 -3.2291 -3.1739 -3.1739 -2.6767 -2.6767 -2.6139 -2.6139 -1.8670 -1.8670 -1.8420 -1.8420 -1.7935 -1.7935 -1.6917 -1.6917 -1.6568 -1.6568 -1.4507 -1.4507 -1.0259 -1.0259 -0.9060 -0.9060 -0.8282 -0.8282 -0.1277 -0.1277 0.0643 0.0643 2.6717 2.6717 2.8581 2.8581 5.8400 5.8400 7.1299 7.1299 8.8284 8.8284 9.3113 9.3113 k = 0.5704 0.2432-0.0122 ( 6710 PWs) bands (ev): -23.6143 -23.6143 -21.8101 -21.8101 -21.7929 -21.7929 -21.6749 -21.6749 -20.9460 -20.9460 -20.8959 -20.8959 -19.1233 -19.1233 -14.3980 -14.3980 -9.0123 -9.0123 -7.3852 -7.3852 -5.6962 -5.6962 -5.4571 -5.4571 -5.3377 -5.3377 -5.2690 -5.2690 -4.8823 -4.8823 -4.6771 -4.6771 -3.2997 -3.2997 -3.2279 -3.2279 -3.1690 -3.1690 -2.6749 -2.6749 -2.6155 -2.6155 -1.8656 -1.8656 -1.8388 -1.8388 -1.7986 -1.7986 -1.6920 -1.6920 -1.6610 -1.6610 -1.4518 -1.4518 -1.0262 -1.0262 -0.9048 -0.9048 -0.8283 -0.8283 -0.1280 -0.1280 0.0564 0.0564 2.6755 2.6755 2.8608 2.8608 5.8527 5.8527 7.1272 7.1272 8.8283 8.8283 9.3009 9.3009 k = 0.5805 0.2287-0.0122 ( 6716 PWs) bands (ev): -23.6145 -23.6145 -21.8099 -21.8099 -21.7926 -21.7926 -21.6749 -21.6749 -20.9463 -20.9463 -20.8957 -20.8957 -19.1233 -19.1233 -14.3977 -14.3977 -9.0140 -9.0140 -7.3864 -7.3864 -5.6908 -5.6908 -5.4562 -5.4562 -5.3370 -5.3370 -5.2674 -5.2674 -4.8818 -4.8818 -4.6867 -4.6867 -3.2976 -3.2976 -3.2265 -3.2265 -3.1637 -3.1637 -2.6728 -2.6728 -2.6173 -2.6173 -1.8643 -1.8643 -1.8351 -1.8351 -1.8040 -1.8040 -1.6925 -1.6925 -1.6656 -1.6656 -1.4529 -1.4529 -1.0266 -1.0266 -0.9034 -0.9034 -0.8285 -0.8285 -0.1284 -0.1284 0.0475 0.0475 2.6800 2.6800 2.8638 2.8638 5.8671 5.8671 7.1238 7.1238 8.8279 8.8279 9.2887 9.2887 k = 0.5905 0.2141-0.0122 ( 6710 PWs) bands (ev): -23.6147 -23.6147 -21.8097 -21.8097 -21.7923 -21.7923 -21.6750 -21.6750 -20.9467 -20.9467 -20.8956 -20.8956 -19.1232 -19.1232 -14.3974 -14.3974 -9.0160 -9.0160 -7.3878 -7.3878 -5.6849 -5.6849 -5.4551 -5.4551 -5.3362 -5.3362 -5.2657 -5.2657 -4.8813 -4.8813 -4.6972 -4.6972 -3.2953 -3.2953 -3.2248 -3.2248 -3.1580 -3.1580 -2.6704 -2.6704 -2.6192 -2.6192 -1.8634 -1.8634 -1.8313 -1.8313 -1.8091 -1.8091 -1.6931 -1.6931 -1.6703 -1.6703 -1.4541 -1.4541 -1.0271 -1.0271 -0.9019 -0.9019 -0.8287 -0.8287 -0.1288 -0.1288 0.0378 0.0378 2.6851 2.6851 2.8672 2.8672 5.8830 5.8830 7.1198 7.1198 8.8273 8.8273 9.2749 9.2749 k = 0.6006 0.1995-0.0122 ( 6712 PWs) bands (ev): -23.6149 -23.6149 -21.8094 -21.8094 -21.7920 -21.7920 -21.6751 -21.6751 -20.9471 -20.9471 -20.8954 -20.8954 -19.1232 -19.1232 -14.3970 -14.3970 -9.0181 -9.0181 -7.3893 -7.3893 -5.6784 -5.6784 -5.4540 -5.4540 -5.3353 -5.3353 -5.2637 -5.2637 -4.8807 -4.8807 -4.7085 -4.7085 -3.2931 -3.2931 -3.2230 -3.2230 -3.1521 -3.1521 -2.6677 -2.6677 -2.6212 -2.6212 -1.8632 -1.8632 -1.8282 -1.8282 -1.8126 -1.8126 -1.6941 -1.6941 -1.6750 -1.6750 -1.4554 -1.4554 -1.0277 -1.0277 -0.9002 -0.9002 -0.8290 -0.8290 -0.1295 -0.1295 0.0274 0.0274 2.6908 2.6908 2.8708 2.8708 5.9003 5.9003 7.1150 7.1150 8.8262 8.8262 9.2595 9.2595 k = 0.6106 0.1850-0.0122 ( 6716 PWs) bands (ev): -23.6151 -23.6151 -21.8092 -21.8092 -21.7916 -21.7916 -21.6752 -21.6752 -20.9475 -20.9475 -20.8952 -20.8952 -19.1231 -19.1231 -14.3966 -14.3966 -9.0204 -9.0204 -7.3908 -7.3908 -5.6714 -5.6714 -5.4529 -5.4529 -5.3345 -5.3345 -5.2615 -5.2615 -4.8800 -4.8800 -4.7205 -4.7205 -3.2910 -3.2910 -3.2211 -3.2211 -3.1462 -3.1462 -2.6649 -2.6649 -2.6234 -2.6234 -1.8642 -1.8642 -1.8276 -1.8276 -1.8124 -1.8124 -1.6954 -1.6954 -1.6793 -1.6793 -1.4566 -1.4566 -1.0285 -1.0285 -0.8983 -0.8983 -0.8294 -0.8294 -0.1303 -0.1303 0.0164 0.0164 2.6972 2.6972 2.8748 2.8748 5.9189 5.9189 7.1093 7.1093 8.8247 8.8247 9.2428 9.2428 k = 0.6207 0.1704-0.0122 ( 6706 PWs) bands (ev): -23.6154 -23.6154 -21.8089 -21.8089 -21.7912 -21.7912 -21.6753 -21.6753 -20.9480 -20.9480 -20.8950 -20.8950 -19.1231 -19.1231 -14.3962 -14.3962 -9.0229 -9.0229 -7.3925 -7.3925 -5.6639 -5.6639 -5.4517 -5.4517 -5.3336 -5.3336 -5.2590 -5.2590 -4.8793 -4.8793 -4.7329 -4.7329 -3.2890 -3.2890 -3.2190 -3.2190 -3.1403 -3.1403 -2.6618 -2.6618 -2.6256 -2.6256 -1.8668 -1.8668 -1.8290 -1.8290 -1.8084 -1.8084 -1.6975 -1.6975 -1.6830 -1.6830 -1.4578 -1.4578 -1.0294 -1.0294 -0.8964 -0.8964 -0.8299 -0.8299 -0.1312 -0.1312 0.0049 0.0049 2.7043 2.7043 2.8790 2.8790 5.9387 5.9387 7.1026 7.1026 8.8227 8.8227 9.2248 9.2248 k = 0.6308 0.1558-0.0122 ( 6708 PWs) bands (ev): -23.6157 -23.6157 -21.8086 -21.8086 -21.7908 -21.7908 -21.6754 -21.6754 -20.9485 -20.9485 -20.8948 -20.8948 -19.1230 -19.1230 -14.3957 -14.3957 -9.0255 -9.0255 -7.3943 -7.3943 -5.6561 -5.6561 -5.4504 -5.4504 -5.3328 -5.3328 -5.2564 -5.2564 -4.8786 -4.8786 -4.7457 -4.7457 -3.2873 -3.2873 -3.2169 -3.2169 -3.1347 -3.1347 -2.6585 -2.6585 -2.6279 -2.6279 -1.8712 -1.8712 -1.8299 -1.8299 -1.8025 -1.8025 -1.7004 -1.7004 -1.6858 -1.6858 -1.4590 -1.4590 -1.0305 -1.0305 -0.8944 -0.8944 -0.8305 -0.8305 -0.1324 -0.1324 -0.0068 -0.0068 2.7120 2.7120 2.8834 2.8834 5.9594 5.9594 7.0949 7.0949 8.8201 8.8201 9.2058 9.2058 k = 0.3692-0.5348 0.0000 ( 6708 PWs) bands (ev): -23.6157 -23.6157 -21.8086 -21.8086 -21.7908 -21.7908 -21.6754 -21.6754 -20.9485 -20.9485 -20.8948 -20.8948 -19.1230 -19.1230 -14.3957 -14.3957 -9.0255 -9.0255 -7.3943 -7.3943 -5.6561 -5.6561 -5.4504 -5.4504 -5.3328 -5.3328 -5.2564 -5.2564 -4.8786 -4.8786 -4.7457 -4.7457 -3.2873 -3.2873 -3.2169 -3.2169 -3.1347 -3.1347 -2.6585 -2.6585 -2.6279 -2.6279 -1.8712 -1.8712 -1.8299 -1.8299 -1.8025 -1.8025 -1.7004 -1.7004 -1.6858 -1.6858 -1.4590 -1.4590 -1.0305 -1.0305 -0.8944 -0.8944 -0.8305 -0.8305 -0.1324 -0.1324 -0.0068 -0.0068 2.7120 2.7120 2.8834 2.8834 5.9594 5.9594 7.0949 7.0949 8.8201 8.8201 9.2058 9.2058 k = 0.3590-0.5199 0.0000 ( 6708 PWs) bands (ev): -23.6160 -23.6160 -21.8083 -21.8083 -21.7903 -21.7903 -21.6756 -21.6756 -20.9490 -20.9490 -20.8945 -20.8945 -19.1230 -19.1230 -14.3952 -14.3952 -9.0284 -9.0284 -7.3961 -7.3961 -5.6478 -5.6478 -5.4492 -5.4492 -5.3320 -5.3320 -5.2534 -5.2534 -4.8778 -4.8778 -4.7589 -4.7589 -3.2858 -3.2858 -3.2146 -3.2146 -3.1294 -3.1294 -2.6549 -2.6549 -2.6302 -2.6302 -1.8774 -1.8774 -1.8297 -1.8297 -1.7958 -1.7958 -1.7041 -1.7041 -1.6878 -1.6878 -1.4600 -1.4600 -1.0317 -1.0317 -0.8924 -0.8924 -0.8313 -0.8313 -0.1339 -0.1339 -0.0190 -0.0190 2.7205 2.7205 2.8881 2.8881 5.9813 5.9813 7.0858 7.0858 8.8167 8.8167 9.1857 9.1857 k = 0.3487-0.5051 0.0000 ( 6714 PWs) bands (ev): -23.6163 -23.6163 -21.8080 -21.8080 -21.7898 -21.7898 -21.6757 -21.6757 -20.9496 -20.9496 -20.8943 -20.8943 -19.1230 -19.1230 -14.3946 -14.3946 -9.0314 -9.0314 -7.3980 -7.3980 -5.6393 -5.6393 -5.4479 -5.4479 -5.3314 -5.3314 -5.2502 -5.2502 -4.8770 -4.8770 -4.7721 -4.7721 -3.2846 -3.2846 -3.2123 -3.2123 -3.1246 -3.1246 -2.6512 -2.6512 -2.6325 -2.6325 -1.8845 -1.8845 -1.8283 -1.8283 -1.7885 -1.7885 -1.7082 -1.7082 -1.6892 -1.6892 -1.4610 -1.4610 -1.0331 -1.0331 -0.8904 -0.8904 -0.8322 -0.8322 -0.1356 -0.1356 -0.0310 -0.0310 2.7297 2.7297 2.8930 2.8930 6.0038 6.0038 7.0753 7.0753 8.8126 8.8126 9.1653 9.1653 k = 0.3385-0.4902 0.0000 ( 6718 PWs) bands (ev): -23.6166 -23.6166 -21.8076 -21.8076 -21.7892 -21.7892 -21.6758 -21.6758 -20.9501 -20.9501 -20.8941 -20.8941 -19.1229 -19.1229 -14.3941 -14.3941 -9.0346 -9.0346 -7.3999 -7.3999 -5.6306 -5.6306 -5.4466 -5.4466 -5.3309 -5.3309 -5.2468 -5.2468 -4.8763 -4.8763 -4.7851 -4.7851 -3.2838 -3.2838 -3.2102 -3.2102 -3.1205 -3.1205 -2.6472 -2.6472 -2.6347 -2.6347 -1.8922 -1.8922 -1.8261 -1.8261 -1.7809 -1.7809 -1.7123 -1.7123 -1.6902 -1.6902 -1.4618 -1.4618 -1.0346 -1.0346 -0.8885 -0.8885 -0.8333 -0.8333 -0.1377 -0.1377 -0.0429 -0.0429 2.7397 2.7397 2.8981 2.8981 6.0268 6.0268 7.0635 7.0635 8.8078 8.8078 9.1448 9.1448 k = 0.3282-0.4753 0.0000 ( 6726 PWs) bands (ev): -23.6170 -23.6170 -21.8072 -21.8072 -21.7886 -21.7886 -21.6760 -21.6760 -20.9507 -20.9507 -20.8938 -20.8938 -19.1229 -19.1229 -14.3935 -14.3935 -9.0378 -9.0378 -7.4018 -7.4018 -5.6218 -5.6218 -5.4453 -5.4453 -5.3307 -5.3307 -5.2432 -5.2432 -4.8756 -4.8756 -4.7976 -4.7976 -3.2835 -3.2835 -3.2083 -3.2083 -3.1173 -3.1173 -2.6432 -2.6432 -2.6369 -2.6369 -1.8999 -1.8999 -1.8233 -1.8233 -1.7730 -1.7730 -1.7162 -1.7162 -1.6911 -1.6911 -1.4624 -1.4624 -1.0362 -1.0362 -0.8868 -0.8868 -0.8345 -0.8345 -0.1402 -0.1402 -0.0543 -0.0543 2.7504 2.7504 2.9033 2.9033 6.0501 6.0501 7.0501 7.0501 8.8022 8.8022 9.1247 9.1247 k = 0.3179-0.4605 0.0000 ( 6728 PWs) bands (ev): -23.6174 -23.6174 -21.8068 -21.8068 -21.7880 -21.7880 -21.6762 -21.6762 -20.9513 -20.9513 -20.8936 -20.8936 -19.1229 -19.1229 -14.3929 -14.3929 -9.0412 -9.0412 -7.4037 -7.4037 -5.6130 -5.6130 -5.4441 -5.4441 -5.3307 -5.3307 -5.2394 -5.2394 -4.8749 -4.8749 -4.8095 -4.8095 -3.2835 -3.2835 -3.2066 -3.2066 -3.1150 -3.1150 -2.6395 -2.6395 -2.6386 -2.6386 -1.9073 -1.9073 -1.8199 -1.8199 -1.7651 -1.7651 -1.7196 -1.7196 -1.6919 -1.6919 -1.4628 -1.4628 -1.0380 -1.0380 -0.8852 -0.8852 -0.8359 -0.8359 -0.1431 -0.1431 -0.0651 -0.0651 2.7617 2.7617 2.9085 2.9085 6.0734 6.0734 7.0351 7.0351 8.7959 8.7959 9.1053 9.1053 k = 0.3077-0.4456 0.0000 ( 6732 PWs) bands (ev): -23.6178 -23.6178 -21.8064 -21.8064 -21.7873 -21.7873 -21.6763 -21.6763 -20.9519 -20.9519 -20.8933 -20.8933 -19.1229 -19.1229 -14.3922 -14.3922 -9.0447 -9.0447 -7.4057 -7.4057 -5.6042 -5.6042 -5.4428 -5.4428 -5.3311 -5.3311 -5.2355 -5.2355 -4.8744 -4.8744 -4.8204 -4.8204 -3.2840 -3.2840 -3.2053 -3.2053 -3.1138 -3.1138 -2.6410 -2.6410 -2.6348 -2.6348 -1.9141 -1.9141 -1.8160 -1.8160 -1.7571 -1.7571 -1.7225 -1.7225 -1.6927 -1.6927 -1.4630 -1.4630 -1.0399 -1.0399 -0.8839 -0.8839 -0.8375 -0.8375 -0.1464 -0.1464 -0.0752 -0.0752 2.7738 2.7738 2.9139 2.9139 6.0965 6.0965 7.0185 7.0185 8.7887 8.7887 9.0869 9.0869 k = 0.2974-0.4308 0.0000 ( 6740 PWs) bands (ev): -23.6183 -23.6183 -21.8059 -21.8059 -21.7867 -21.7867 -21.6765 -21.6765 -20.9525 -20.9525 -20.8931 -20.8931 -19.1230 -19.1230 -14.3916 -14.3916 -9.0483 -9.0483 -7.4076 -7.4076 -5.5956 -5.5956 -5.4416 -5.4416 -5.3319 -5.3319 -5.2314 -5.2314 -4.8741 -4.8741 -4.8301 -4.8301 -3.2849 -3.2849 -3.2045 -3.2045 -3.1137 -3.1137 -2.6429 -2.6429 -2.6306 -2.6306 -1.9201 -1.9201 -1.8117 -1.8117 -1.7494 -1.7494 -1.7245 -1.7245 -1.6934 -1.6934 -1.4630 -1.4630 -1.0420 -1.0420 -0.8829 -0.8829 -0.8393 -0.8393 -0.1501 -0.1501 -0.0844 -0.0844 2.7865 2.7865 2.9193 2.9193 6.1192 6.1192 7.0003 7.0003 8.7808 8.7808 9.0699 9.0699 k = 0.2872-0.4159 0.0000 ( 6748 PWs) bands (ev): -23.6187 -23.6187 -21.8055 -21.8055 -21.7860 -21.7860 -21.6767 -21.6767 -20.9531 -20.9531 -20.8929 -20.8929 -19.1230 -19.1230 -14.3909 -14.3909 -9.0519 -9.0519 -7.4094 -7.4094 -5.5871 -5.5871 -5.4405 -5.4405 -5.3332 -5.3332 -5.2273 -5.2273 -4.8741 -4.8741 -4.8384 -4.8384 -3.2863 -3.2863 -3.2043 -3.2043 -3.1149 -3.1149 -2.6448 -2.6448 -2.6263 -2.6263 -1.9252 -1.9252 -1.8071 -1.8071 -1.7424 -1.7424 -1.7253 -1.7253 -1.6941 -1.6941 -1.4628 -1.4628 -1.0441 -1.0441 -0.8823 -0.8823 -0.8413 -0.8413 -0.1543 -0.1543 -0.0927 -0.0927 2.7999 2.7999 2.9247 2.9247 6.1412 6.1412 6.9805 6.9805 8.7721 8.7721 9.0545 9.0545 k = 0.2769-0.4011 0.0000 ( 6746 PWs) bands (ev): -23.6192 -23.6192 -21.8049 -21.8049 -21.7853 -21.7853 -21.6769 -21.6769 -20.9537 -20.9537 -20.8926 -20.8926 -19.1231 -19.1231 -14.3902 -14.3902 -9.0556 -9.0556 -7.4112 -7.4112 -5.5789 -5.5789 -5.4393 -5.4393 -5.3351 -5.3351 -5.2231 -5.2231 -4.8744 -4.8744 -4.8449 -4.8449 -3.2881 -3.2881 -3.2048 -3.2048 -3.1172 -3.1172 -2.6466 -2.6466 -2.6220 -2.6220 -1.9292 -1.9292 -1.8020 -1.8020 -1.7372 -1.7372 -1.7237 -1.7237 -1.6947 -1.6947 -1.4624 -1.4624 -1.0463 -1.0463 -0.8821 -0.8821 -0.8435 -0.8435 -0.1587 -0.1587 -0.1000 -0.1000 2.8139 2.8139 2.9301 2.9301 6.1623 6.1623 6.9592 6.9592 8.7627 8.7627 9.0409 9.0409 k = 0.2667-0.3862 0.0000 ( 6748 PWs) bands (ev): -23.6197 -23.6197 -21.8044 -21.8044 -21.7845 -21.7845 -21.6771 -21.6771 -20.9543 -20.9543 -20.8924 -20.8924 -19.1231 -19.1231 -14.3895 -14.3895 -9.0593 -9.0593 -7.4130 -7.4130 -5.5711 -5.5711 -5.4382 -5.4382 -5.3376 -5.3376 -5.2188 -5.2188 -4.8751 -4.8751 -4.8494 -4.8494 -3.2903 -3.2903 -3.2059 -3.2059 -3.1208 -3.1208 -2.6483 -2.6483 -2.6178 -2.6178 -1.9320 -1.9320 -1.7965 -1.7965 -1.7346 -1.7346 -1.7191 -1.7191 -1.6950 -1.6950 -1.4617 -1.4617 -1.0486 -1.0486 -0.8823 -0.8823 -0.8459 -0.8459 -0.1633 -0.1633 -0.1063 -0.1063 2.8285 2.8285 2.9355 2.9355 6.1823 6.1823 6.9366 6.9366 8.7526 8.7526 9.0295 9.0295 k = 0.2564-0.3714 0.0000 ( 6754 PWs) bands (ev): -23.6202 -23.6202 -21.8039 -21.8039 -21.7838 -21.7838 -21.6773 -21.6773 -20.9549 -20.9549 -20.8922 -20.8922 -19.1232 -19.1232 -14.3888 -14.3888 -9.0630 -9.0630 -7.4147 -7.4147 -5.5636 -5.5636 -5.4372 -5.4372 -5.3407 -5.3407 -5.2147 -5.2147 -4.8760 -4.8760 -4.8522 -4.8522 -3.2929 -3.2929 -3.2078 -3.2078 -3.1257 -3.1257 -2.6501 -2.6501 -2.6137 -2.6137 -1.9335 -1.9335 -1.7907 -1.7907 -1.7333 -1.7333 -1.7131 -1.7131 -1.6949 -1.6949 -1.4608 -1.4608 -1.0510 -1.0510 -0.8829 -0.8829 -0.8485 -0.8485 -0.1678 -0.1678 -0.1119 -0.1119 2.8437 2.8437 2.9410 2.9410 6.2008 6.2008 6.9129 6.9129 8.7419 8.7419 9.0202 9.0202 k = 0.2462-0.3565 0.0000 ( 6758 PWs) bands (ev): -23.6207 -23.6207 -21.8033 -21.8033 -21.7831 -21.7831 -21.6774 -21.6774 -20.9555 -20.9555 -20.8920 -20.8920 -19.1233 -19.1233 -14.3880 -14.3880 -9.0667 -9.0667 -7.4163 -7.4163 -5.5565 -5.5565 -5.4362 -5.4362 -5.3446 -5.3446 -5.2105 -5.2105 -4.8766 -4.8766 -4.8534 -4.8534 -3.2958 -3.2958 -3.2104 -3.2104 -3.1316 -3.1316 -2.6520 -2.6520 -2.6096 -2.6096 -1.9337 -1.9337 -1.7845 -1.7845 -1.7320 -1.7320 -1.7079 -1.7079 -1.6935 -1.6935 -1.4597 -1.4597 -1.0535 -1.0535 -0.8839 -0.8839 -0.8513 -0.8513 -0.1722 -0.1722 -0.1168 -0.1168 2.8592 2.8592 2.9465 2.9465 6.2175 6.2175 6.8884 6.8884 8.7306 8.7306 9.0131 9.0131 k = 0.2359-0.3417 0.0000 ( 6756 PWs) bands (ev): -23.6212 -23.6212 -21.8027 -21.8027 -21.7823 -21.7823 -21.6776 -21.6776 -20.9561 -20.9561 -20.8918 -20.8918 -19.1234 -19.1234 -14.3873 -14.3873 -9.0705 -9.0705 -7.4178 -7.4178 -5.5499 -5.5499 -5.4353 -5.4353 -5.3492 -5.3492 -5.2064 -5.2064 -4.8766 -4.8766 -4.8535 -4.8535 -3.2991 -3.2991 -3.2139 -3.2139 -3.1387 -3.1387 -2.6540 -2.6540 -2.6056 -2.6056 -1.9326 -1.9326 -1.7780 -1.7780 -1.7302 -1.7302 -1.7048 -1.7048 -1.6896 -1.6896 -1.4584 -1.4584 -1.0561 -1.0561 -0.8854 -0.8854 -0.8542 -0.8542 -0.1762 -0.1762 -0.1210 -0.1210 2.8751 2.8751 2.9521 2.9521 6.2321 6.2321 6.8635 6.8635 8.7188 8.7188 9.0084 9.0084 k = 0.2256-0.3268 0.0000 ( 6750 PWs) bands (ev): -23.6218 -23.6218 -21.8021 -21.8021 -21.7816 -21.7816 -21.6778 -21.6778 -20.9567 -20.9567 -20.8916 -20.8916 -19.1235 -19.1235 -14.3866 -14.3866 -9.0741 -9.0741 -7.4193 -7.4193 -5.5437 -5.5437 -5.4345 -5.4345 -5.3544 -5.3544 -5.2023 -5.2023 -4.8759 -4.8759 -4.8525 -4.8525 -3.3028 -3.3028 -3.2181 -3.2181 -3.1468 -3.1468 -2.6562 -2.6562 -2.6017 -2.6017 -1.9303 -1.9303 -1.7712 -1.7712 -1.7279 -1.7279 -1.7038 -1.7038 -1.6836 -1.6836 -1.4570 -1.4570 -1.0587 -1.0587 -0.8873 -0.8873 -0.8574 -0.8574 -0.1798 -0.1798 -0.1248 -0.1248 2.8911 2.8911 2.9580 2.9580 6.2442 6.2442 6.8387 6.8387 8.7065 8.7065 9.0059 9.0059 k = 0.2154-0.3119 0.0000 ( 6746 PWs) bands (ev): -23.6223 -23.6223 -21.8014 -21.8014 -21.7808 -21.7808 -21.6780 -21.6780 -20.9572 -20.9572 -20.8914 -20.8914 -19.1237 -19.1237 -14.3859 -14.3859 -9.0778 -9.0778 -7.4207 -7.4207 -5.5380 -5.5380 -5.4338 -5.4338 -5.3602 -5.3602 -5.1983 -5.1983 -4.8745 -4.8745 -4.8505 -4.8505 -3.3067 -3.3067 -3.2230 -3.2230 -3.1558 -3.1558 -2.6585 -2.6585 -2.5979 -2.5979 -1.9267 -1.9267 -1.7643 -1.7643 -1.7249 -1.7249 -1.7037 -1.7037 -1.6767 -1.6767 -1.4554 -1.4554 -1.0614 -1.0614 -0.8895 -0.8895 -0.8608 -0.8608 -0.1829 -0.1829 -0.1281 -0.1281 2.9068 2.9068 2.9644 2.9644 6.2533 6.2533 6.8145 6.8145 8.6940 8.6940 9.0055 9.0055 k = 0.2051-0.2971 0.0000 ( 6742 PWs) bands (ev): -23.6228 -23.6228 -21.8008 -21.8008 -21.7801 -21.7801 -21.6782 -21.6782 -20.9577 -20.9577 -20.8912 -20.8912 -19.1238 -19.1238 -14.3851 -14.3851 -9.0814 -9.0814 -7.4220 -7.4220 -5.5329 -5.5329 -5.4333 -5.4333 -5.3664 -5.3664 -5.1944 -5.1944 -4.8727 -4.8727 -4.8473 -4.8473 -3.3110 -3.3110 -3.2287 -3.2287 -3.1656 -3.1656 -2.6611 -2.6611 -2.5943 -2.5943 -1.9220 -1.9220 -1.7573 -1.7573 -1.7214 -1.7214 -1.7039 -1.7039 -1.6696 -1.6696 -1.4537 -1.4537 -1.0642 -1.0642 -0.8920 -0.8920 -0.8643 -0.8643 -0.1854 -0.1854 -0.1310 -0.1310 2.9218 2.9218 2.9717 2.9717 6.2589 6.2589 6.7916 6.7916 8.6811 8.6811 9.0072 9.0072 k = 0.1949-0.2822 0.0000 ( 6736 PWs) bands (ev): -23.6234 -23.6234 -21.8001 -21.8001 -21.7794 -21.7794 -21.6784 -21.6784 -20.9582 -20.9582 -20.8910 -20.8910 -19.1240 -19.1240 -14.3844 -14.3844 -9.0849 -9.0849 -7.4232 -7.4232 -5.5283 -5.5283 -5.4329 -5.4329 -5.3730 -5.3730 -5.1904 -5.1904 -4.8708 -4.8708 -4.8427 -4.8427 -3.3154 -3.3154 -3.2349 -3.2349 -3.1761 -3.1761 -2.6640 -2.6640 -2.5907 -2.5907 -1.9162 -1.9162 -1.7504 -1.7504 -1.7173 -1.7173 -1.7039 -1.7039 -1.6624 -1.6624 -1.4518 -1.4518 -1.0671 -1.0671 -0.8948 -0.8948 -0.8679 -0.8679 -0.1875 -0.1875 -0.1336 -0.1336 2.9352 2.9352 2.9808 2.9808 6.2608 6.2608 6.7705 6.7705 8.6681 8.6681 9.0108 9.0108 k = 0.1846-0.2674 0.0000 ( 6742 PWs) bands (ev): -23.6239 -23.6239 -21.7995 -21.7995 -21.7787 -21.7787 -21.6786 -21.6786 -20.9587 -20.9587 -20.8909 -20.8909 -19.1242 -19.1242 -14.3837 -14.3837 -9.0883 -9.0883 -7.4243 -7.4243 -5.5242 -5.5242 -5.4329 -5.4329 -5.3796 -5.3796 -5.1865 -5.1865 -4.8692 -4.8692 -4.8366 -4.8366 -3.3200 -3.3200 -3.2416 -3.2416 -3.1870 -3.1870 -2.6671 -2.6671 -2.5873 -2.5873 -1.9096 -1.9096 -1.7437 -1.7437 -1.7130 -1.7130 -1.7033 -1.7033 -1.6552 -1.6552 -1.4499 -1.4499 -1.0700 -1.0700 -0.8978 -0.8978 -0.8717 -0.8717 -0.1892 -0.1892 -0.1357 -0.1357 2.9462 2.9462 2.9923 2.9923 6.2585 6.2585 6.7519 6.7519 8.6549 8.6549 9.0160 9.0160 k = 0.1744-0.2525 0.0000 ( 6748 PWs) bands (ev): -23.6244 -23.6244 -21.7988 -21.7988 -21.7780 -21.7780 -21.6788 -21.6788 -20.9592 -20.9592 -20.8908 -20.8908 -19.1244 -19.1244 -14.3830 -14.3830 -9.0916 -9.0916 -7.4253 -7.4253 -5.5207 -5.5207 -5.4333 -5.4333 -5.3861 -5.3861 -5.1827 -5.1827 -4.8679 -4.8679 -4.8291 -4.8291 -3.3248 -3.3248 -3.2488 -3.2488 -3.1984 -3.1984 -2.6705 -2.6705 -2.5841 -2.5841 -1.9022 -1.9022 -1.7375 -1.7375 -1.7091 -1.7091 -1.7013 -1.7013 -1.6482 -1.6482 -1.4479 -1.4479 -1.0730 -1.0730 -0.9009 -0.9009 -0.8756 -0.8756 -0.1905 -0.1905 -0.1373 -0.1373 2.9547 2.9547 3.0062 3.0062 6.2519 6.2519 6.7361 6.7361 8.6418 8.6418 9.0226 9.0226 k = 0.1641-0.2377 0.0000 ( 6754 PWs) bands (ev): -23.6249 -23.6249 -21.7981 -21.7981 -21.7773 -21.7773 -21.6790 -21.6790 -20.9596 -20.9596 -20.8906 -20.8906 -19.1245 -19.1245 -14.3824 -14.3824 -9.0949 -9.0949 -7.4262 -7.4262 -5.5178 -5.5178 -5.4343 -5.4343 -5.3920 -5.3920 -5.1788 -5.1788 -4.8669 -4.8669 -4.8204 -4.8204 -3.3297 -3.3297 -3.2564 -3.2564 -3.2101 -3.2101 -2.6741 -2.6741 -2.5810 -2.5810 -1.8942 -1.8942 -1.7323 -1.7323 -1.7061 -1.7061 -1.6970 -1.6970 -1.6413 -1.6413 -1.4458 -1.4458 -1.0760 -1.0760 -0.9042 -0.9042 -0.8795 -0.8795 -0.1916 -0.1916 -0.1385 -0.1385 2.9612 2.9612 3.0220 3.0220 6.2410 6.2410 6.7235 6.7235 8.6287 8.6287 9.0305 9.0305 k = 0.1538-0.2228 0.0000 ( 6750 PWs) bands (ev): -23.6254 -23.6254 -21.7975 -21.7975 -21.7767 -21.7767 -21.6792 -21.6792 -20.9600 -20.9600 -20.8905 -20.8905 -19.1247 -19.1247 -14.3817 -14.3817 -9.0979 -9.0979 -7.4271 -7.4271 -5.5155 -5.5155 -5.4360 -5.4360 -5.3971 -5.3971 -5.1750 -5.1750 -4.8662 -4.8662 -4.8109 -4.8109 -3.3346 -3.3346 -3.2641 -3.2641 -3.2218 -3.2218 -2.6779 -2.6779 -2.5780 -2.5780 -1.8858 -1.8858 -1.7282 -1.7282 -1.7033 -1.7033 -1.6912 -1.6912 -1.6346 -1.6346 -1.4437 -1.4437 -1.0790 -1.0790 -0.9075 -0.9075 -0.8834 -0.8834 -0.1926 -0.1926 -0.1391 -0.1391 2.9662 2.9662 3.0390 3.0390 6.2261 6.2261 6.7140 6.7140 8.6159 8.6159 9.0392 9.0392 k = 0.1436-0.2080 0.0000 ( 6752 PWs) bands (ev): -23.6259 -23.6259 -21.7969 -21.7969 -21.7761 -21.7761 -21.6794 -21.6794 -20.9604 -20.9604 -20.8904 -20.8904 -19.1249 -19.1249 -14.3811 -14.3811 -9.1009 -9.1009 -7.4278 -7.4278 -5.5139 -5.5139 -5.4384 -5.4384 -5.4012 -5.4012 -5.1712 -5.1712 -4.8657 -4.8657 -4.8007 -4.8007 -3.3396 -3.3396 -3.2721 -3.2721 -3.2335 -3.2335 -2.6820 -2.6820 -2.5752 -2.5752 -1.8771 -1.8771 -1.7256 -1.7256 -1.6996 -1.6996 -1.6846 -1.6846 -1.6280 -1.6280 -1.4417 -1.4417 -1.0820 -1.0820 -0.9108 -0.9108 -0.8873 -0.8873 -0.1936 -0.1936 -0.1392 -0.1392 2.9702 2.9702 3.0564 3.0564 6.2078 6.2078 6.7074 6.7074 8.6033 8.6033 9.0486 9.0486 k = 0.1333-0.1931 0.0000 ( 6750 PWs) bands (ev): -23.6264 -23.6264 -21.7962 -21.7962 -21.7755 -21.7755 -21.6795 -21.6795 -20.9607 -20.9607 -20.8903 -20.8903 -19.1251 -19.1251 -14.3805 -14.3805 -9.1037 -9.1037 -7.4285 -7.4285 -5.5129 -5.5129 -5.4416 -5.4416 -5.4042 -5.4042 -5.1675 -5.1675 -4.8653 -4.8653 -4.7901 -4.7901 -3.3445 -3.3445 -3.2800 -3.2800 -3.2449 -3.2449 -2.6861 -2.6861 -2.5725 -2.5725 -1.8683 -1.8683 -1.7242 -1.7242 -1.6951 -1.6951 -1.6776 -1.6776 -1.6217 -1.6217 -1.4396 -1.4396 -1.0850 -1.0850 -0.9142 -0.9142 -0.8911 -0.8911 -0.1947 -0.1947 -0.1388 -0.1388 2.9736 2.9736 3.0740 3.0740 6.1868 6.1868 6.7033 6.7033 8.5911 8.5911 9.0584 9.0584 k = 0.1231-0.1783 0.0000 ( 6750 PWs) bands (ev): -23.6269 -23.6269 -21.7957 -21.7957 -21.7749 -21.7749 -21.6797 -21.6797 -20.9611 -20.9611 -20.8902 -20.8902 -19.1253 -19.1253 -14.3800 -14.3800 -9.1063 -9.1063 -7.4291 -7.4291 -5.5127 -5.5127 -5.4451 -5.4451 -5.4062 -5.4062 -5.1638 -5.1638 -4.8651 -4.8651 -4.7793 -4.7793 -3.3493 -3.3493 -3.2880 -3.2880 -3.2561 -3.2561 -2.6904 -2.6904 -2.5700 -2.5700 -1.8595 -1.8595 -1.7237 -1.7237 -1.6902 -1.6902 -1.6706 -1.6706 -1.6155 -1.6155 -1.4376 -1.4376 -1.0879 -1.0879 -0.9175 -0.9175 -0.8947 -0.8947 -0.1958 -0.1958 -0.1379 -0.1379 2.9765 2.9765 3.0915 3.0915 6.1638 6.1638 6.7012 6.7012 8.5794 8.5794 9.0682 9.0682 k = 0.1128-0.1634 0.0000 ( 6740 PWs) bands (ev): -23.6273 -23.6273 -21.7951 -21.7951 -21.7744 -21.7744 -21.6798 -21.6798 -20.9614 -20.9614 -20.8901 -20.8901 -19.1255 -19.1255 -14.3794 -14.3794 -9.1088 -9.1088 -7.4297 -7.4297 -5.5131 -5.5131 -5.4486 -5.4486 -5.4074 -5.4074 -5.1603 -5.1603 -4.8650 -4.8650 -4.7686 -4.7686 -3.3540 -3.3540 -3.2958 -3.2958 -3.2667 -3.2667 -2.6946 -2.6946 -2.5676 -2.5676 -1.8510 -1.8510 -1.7236 -1.7236 -1.6850 -1.6850 -1.6636 -1.6636 -1.6095 -1.6095 -1.4356 -1.4356 -1.0907 -1.0907 -0.9207 -0.9207 -0.8982 -0.8982 -0.1971 -0.1971 -0.1366 -0.1366 2.9790 2.9790 3.1085 3.1085 6.1397 6.1397 6.7007 6.7007 8.5683 8.5683 9.0780 9.0780 k = 0.1026-0.1485 0.0000 ( 6736 PWs) bands (ev): -23.6277 -23.6277 -21.7946 -21.7946 -21.7739 -21.7739 -21.6799 -21.6799 -20.9616 -20.9616 -20.8901 -20.8901 -19.1256 -19.1256 -14.3789 -14.3789 -9.1111 -9.1111 -7.4302 -7.4302 -5.5143 -5.5143 -5.4518 -5.4518 -5.4081 -5.4081 -5.1570 -5.1570 -4.8649 -4.8649 -4.7581 -4.7581 -3.3585 -3.3585 -3.3034 -3.3034 -3.2767 -3.2767 -2.6988 -2.6988 -2.5654 -2.5654 -1.8427 -1.8427 -1.7238 -1.7238 -1.6799 -1.6799 -1.6568 -1.6568 -1.6038 -1.6038 -1.4337 -1.4337 -1.0935 -1.0935 -0.9238 -0.9238 -0.9015 -0.9015 -0.1984 -0.1984 -0.1349 -0.1349 2.9811 2.9811 3.1249 3.1249 6.1152 6.1152 6.7014 6.7014 8.5578 8.5578 9.0874 9.0874 k = 0.0923-0.1337 0.0000 ( 6740 PWs) bands (ev): -23.6280 -23.6280 -21.7941 -21.7941 -21.7735 -21.7735 -21.6801 -21.6801 -20.9619 -20.9619 -20.8900 -20.8900 -19.1258 -19.1258 -14.3785 -14.3785 -9.1132 -9.1132 -7.4306 -7.4306 -5.5161 -5.5161 -5.4546 -5.4546 -5.4084 -5.4084 -5.1539 -5.1539 -4.8649 -4.8649 -4.7481 -4.7481 -3.3628 -3.3628 -3.3107 -3.3107 -3.2859 -3.2859 -2.7029 -2.7029 -2.5634 -2.5634 -1.8348 -1.8348 -1.7242 -1.7242 -1.6750 -1.6750 -1.6504 -1.6504 -1.5984 -1.5984 -1.4319 -1.4319 -1.0960 -1.0960 -0.9268 -0.9268 -0.9044 -0.9044 -0.1998 -0.1998 -0.1330 -0.1330 2.9829 2.9829 3.1404 3.1404 6.0910 6.0910 6.7029 6.7029 8.5480 8.5480 9.0962 9.0962 k = 0.0821-0.1188 0.0000 ( 6738 PWs) bands (ev): -23.6284 -23.6284 -21.7936 -21.7936 -21.7731 -21.7731 -21.6802 -21.6802 -20.9621 -20.9621 -20.8900 -20.8900 -19.1260 -19.1260 -14.3781 -14.3781 -9.1151 -9.1151 -7.4309 -7.4309 -5.5183 -5.5183 -5.4568 -5.4568 -5.4085 -5.4085 -5.1509 -5.1509 -4.8649 -4.8649 -4.7387 -4.7387 -3.3667 -3.3667 -3.3177 -3.3177 -3.2942 -3.2942 -2.7068 -2.7068 -2.5616 -2.5616 -1.8276 -1.8276 -1.7246 -1.7246 -1.6704 -1.6704 -1.6444 -1.6444 -1.5933 -1.5933 -1.4303 -1.4303 -1.0985 -1.0985 -0.9296 -0.9296 -0.9071 -0.9071 -0.2011 -0.2011 -0.1311 -0.1311 2.9844 2.9844 3.1549 3.1549 6.0677 6.0677 6.7049 6.7049 8.5391 8.5391 9.1044 9.1044 k = 0.0718-0.1040 0.0000 ( 6738 PWs) bands (ev): -23.6287 -23.6287 -21.7932 -21.7932 -21.7727 -21.7727 -21.6803 -21.6803 -20.9623 -20.9623 -20.8899 -20.8899 -19.1261 -19.1261 -14.3777 -14.3777 -9.1168 -9.1168 -7.4312 -7.4312 -5.5208 -5.5208 -5.4585 -5.4585 -5.4085 -5.4085 -5.1483 -5.1483 -4.8650 -4.8650 -4.7300 -4.7300 -3.3704 -3.3704 -3.3242 -3.3242 -3.3016 -3.3016 -2.7104 -2.7104 -2.5600 -2.5600 -1.8210 -1.8210 -1.7250 -1.7250 -1.6662 -1.6662 -1.6389 -1.6389 -1.5885 -1.5885 -1.4287 -1.4287 -1.1007 -1.1007 -0.9323 -0.9323 -0.9095 -0.9095 -0.2025 -0.2025 -0.1290 -0.1290 2.9857 2.9857 3.1682 3.1682 6.0459 6.0459 6.7071 6.7071 8.5310 8.5310 9.1117 9.1117 k = 0.0615-0.0891 0.0000 ( 6738 PWs) bands (ev): -23.6290 -23.6290 -21.7928 -21.7928 -21.7724 -21.7724 -21.6804 -21.6804 -20.9625 -20.9625 -20.8899 -20.8899 -19.1262 -19.1262 -14.3774 -14.3774 -9.1183 -9.1183 -7.4315 -7.4315 -5.5234 -5.5234 -5.4598 -5.4598 -5.4084 -5.4084 -5.1459 -5.1459 -4.8651 -4.8651 -4.7222 -4.7222 -3.3737 -3.3737 -3.3302 -3.3302 -3.3080 -3.3080 -2.7137 -2.7137 -2.5586 -2.5586 -1.8151 -1.8151 -1.7254 -1.7254 -1.6625 -1.6625 -1.6340 -1.6340 -1.5842 -1.5842 -1.4274 -1.4274 -1.1026 -1.1026 -0.9347 -0.9347 -0.9116 -0.9116 -0.2037 -0.2037 -0.1271 -0.1271 2.9868 2.9868 3.1801 3.1801 6.0261 6.0261 6.7093 6.7093 8.5239 8.5239 9.1181 9.1181 k = 0.0513-0.0743 0.0000 ( 6740 PWs) bands (ev): -23.6292 -23.6292 -21.7925 -21.7925 -21.7721 -21.7721 -21.6805 -21.6805 -20.9626 -20.9626 -20.8898 -20.8898 -19.1263 -19.1263 -14.3771 -14.3771 -9.1195 -9.1195 -7.4317 -7.4317 -5.5259 -5.5259 -5.4607 -5.4607 -5.4083 -5.4083 -5.1438 -5.1438 -4.8652 -4.8652 -4.7153 -4.7153 -3.3766 -3.3766 -3.3355 -3.3355 -3.3133 -3.3133 -2.7167 -2.7167 -2.5574 -2.5574 -1.8100 -1.8100 -1.7257 -1.7257 -1.6593 -1.6593 -1.6298 -1.6298 -1.5805 -1.5805 -1.4262 -1.4262 -1.1044 -1.1044 -0.9368 -0.9368 -0.9134 -0.9134 -0.2049 -0.2049 -0.1253 -0.1253 2.9877 2.9877 3.1905 3.1905 6.0087 6.0087 6.7114 6.7114 8.5177 8.5177 9.1235 9.1235 k = 0.0410-0.0594 0.0000 ( 6732 PWs) bands (ev): -23.6294 -23.6294 -21.7923 -21.7923 -21.7719 -21.7719 -21.6805 -21.6805 -20.9627 -20.9627 -20.8898 -20.8898 -19.1264 -19.1264 -14.3769 -14.3769 -9.1206 -9.1206 -7.4319 -7.4319 -5.5282 -5.5282 -5.4614 -5.4614 -5.4081 -5.4081 -5.1421 -5.1421 -4.8653 -4.8653 -4.7096 -4.7096 -3.3790 -3.3790 -3.3400 -3.3400 -3.3177 -3.3177 -2.7191 -2.7191 -2.5564 -2.5564 -1.8058 -1.8058 -1.7260 -1.7260 -1.6566 -1.6566 -1.6263 -1.6263 -1.5773 -1.5773 -1.4252 -1.4252 -1.1058 -1.1058 -0.9386 -0.9386 -0.9148 -0.9148 -0.2058 -0.2058 -0.1238 -0.1238 2.9884 2.9884 3.1992 3.1992 5.9939 5.9939 6.7132 6.7132 8.5127 8.5127 9.1279 9.1279 k = 0.0308-0.0446 0.0000 ( 6728 PWs) bands (ev): -23.6295 -23.6295 -21.7920 -21.7920 -21.7717 -21.7717 -21.6806 -21.6806 -20.9628 -20.9628 -20.8898 -20.8898 -19.1265 -19.1265 -14.3767 -14.3767 -9.1214 -9.1214 -7.4320 -7.4320 -5.5301 -5.5301 -5.4618 -5.4618 -5.4080 -5.4080 -5.1407 -5.1407 -4.8653 -4.8653 -4.7051 -4.7051 -3.3809 -3.3809 -3.3436 -3.3436 -3.3210 -3.3210 -2.7211 -2.7211 -2.5556 -2.5556 -1.8024 -1.8024 -1.7262 -1.7262 -1.6545 -1.6545 -1.6235 -1.6235 -1.5747 -1.5747 -1.4244 -1.4244 -1.1069 -1.1069 -0.9401 -0.9401 -0.9159 -0.9159 -0.2066 -0.2066 -0.1225 -0.1225 2.9890 2.9890 3.2062 3.2062 5.9822 5.9822 6.7147 6.7147 8.5087 8.5087 9.1313 9.1313 k = 0.0205-0.0297 0.0000 ( 6722 PWs) bands (ev): -23.6296 -23.6296 -21.7919 -21.7919 -21.7716 -21.7716 -21.6806 -21.6806 -20.9629 -20.9629 -20.8898 -20.8898 -19.1266 -19.1266 -14.3766 -14.3766 -9.1220 -9.1220 -7.4321 -7.4321 -5.5315 -5.5315 -5.4620 -5.4620 -5.4079 -5.4079 -5.1397 -5.1397 -4.8654 -4.8654 -4.7018 -4.7018 -3.3823 -3.3823 -3.3462 -3.3462 -3.3234 -3.3234 -2.7225 -2.7225 -2.5551 -2.5551 -1.8000 -1.8000 -1.7264 -1.7264 -1.6529 -1.6529 -1.6215 -1.6215 -1.5728 -1.5728 -1.4238 -1.4238 -1.1077 -1.1077 -0.9411 -0.9411 -0.9167 -0.9167 -0.2072 -0.2072 -0.1216 -0.1216 2.9894 2.9894 3.2112 3.2112 5.9736 5.9736 6.7159 6.7159 8.5058 8.5058 9.1338 9.1338 k = 0.0103-0.0149 0.0000 ( 6711 PWs) bands (ev): -23.6297 -23.6297 -21.7918 -21.7918 -21.7715 -21.7715 -21.6806 -21.6806 -20.9629 -20.9629 -20.8898 -20.8898 -19.1266 -19.1266 -14.3765 -14.3765 -9.1223 -9.1223 -7.4321 -7.4321 -5.5323 -5.5323 -5.4622 -5.4622 -5.4078 -5.4078 -5.1391 -5.1391 -4.8654 -4.8654 -4.6998 -4.6998 -3.3831 -3.3831 -3.3478 -3.3478 -3.3249 -3.3249 -2.7234 -2.7234 -2.5547 -2.5547 -1.7986 -1.7986 -1.7265 -1.7265 -1.6520 -1.6520 -1.6203 -1.6203 -1.5717 -1.5717 -1.4235 -1.4235 -1.1082 -1.1082 -0.9418 -0.9418 -0.9171 -0.9171 -0.2075 -0.2075 -0.1210 -0.1210 2.9896 2.9896 3.2142 3.2142 5.9684 5.9684 6.7166 6.7166 8.5041 8.5041 9.1352 9.1352 k = 0.0000 0.0000 0.0000 ( 6711 PWs) bands (ev): -23.6297 -23.6297 -21.7918 -21.7918 -21.7715 -21.7715 -21.6806 -21.6806 -20.9629 -20.9629 -20.8898 -20.8898 -19.1266 -19.1266 -14.3765 -14.3765 -9.1224 -9.1224 -7.4322 -7.4322 -5.5326 -5.5326 -5.4622 -5.4622 -5.4078 -5.4078 -5.1389 -5.1389 -4.8654 -4.8654 -4.6991 -4.6991 -3.3834 -3.3834 -3.3483 -3.3483 -3.3253 -3.3253 -2.7237 -2.7237 -2.5546 -2.5546 -1.7981 -1.7981 -1.7265 -1.7265 -1.6517 -1.6517 -1.6199 -1.6199 -1.5713 -1.5713 -1.4234 -1.4234 -1.1084 -1.1084 -0.9420 -0.9420 -0.9173 -0.9173 -0.2077 -0.2077 -0.1208 -0.1208 2.9897 2.9897 3.2152 3.2152 5.9667 5.9667 6.7168 6.7168 8.5035 8.5035 9.1357 9.1357 k = 0.0000 0.0000 0.0000 ( 6711 PWs) bands (ev): -23.6297 -23.6297 -21.7918 -21.7918 -21.7715 -21.7715 -21.6806 -21.6806 -20.9629 -20.9629 -20.8898 -20.8898 -19.1266 -19.1266 -14.3765 -14.3765 -9.1224 -9.1224 -7.4322 -7.4322 -5.5326 -5.5326 -5.4622 -5.4622 -5.4078 -5.4078 -5.1389 -5.1389 -4.8654 -4.8654 -4.6991 -4.6991 -3.3834 -3.3834 -3.3483 -3.3483 -3.3253 -3.3253 -2.7237 -2.7237 -2.5546 -2.5546 -1.7981 -1.7981 -1.7265 -1.7265 -1.6517 -1.6517 -1.6199 -1.6199 -1.5713 -1.5713 -1.4234 -1.4234 -1.1084 -1.1084 -0.9420 -0.9420 -0.9173 -0.9173 -0.2077 -0.2077 -0.1208 -0.1208 2.9897 2.9897 3.2152 3.2152 5.9667 5.9667 6.7168 6.7168 8.5035 8.5035 9.1357 9.1357 k = 0.0172-0.0065-0.0002 ( 6715 PWs) bands (ev): -23.6297 -23.6297 -21.7918 -21.7918 -21.7715 -21.7715 -21.6806 -21.6806 -20.9629 -20.9629 -20.8898 -20.8898 -19.1266 -19.1266 -14.3765 -14.3765 -9.1222 -9.1222 -7.4322 -7.4322 -5.5324 -5.5324 -5.4621 -5.4621 -5.4078 -5.4078 -5.1393 -5.1393 -4.8655 -4.8655 -4.6996 -4.6996 -3.3831 -3.3831 -3.3478 -3.3478 -3.3248 -3.3248 -2.7235 -2.7235 -2.5547 -2.5547 -1.7985 -1.7985 -1.7266 -1.7266 -1.6520 -1.6520 -1.6204 -1.6204 -1.5717 -1.5717 -1.4235 -1.4235 -1.1081 -1.1081 -0.9417 -0.9417 -0.9171 -0.9171 -0.2076 -0.2076 -0.1209 -0.1209 2.9895 2.9895 3.2142 3.2142 5.9685 5.9685 6.7162 6.7162 8.5042 8.5042 9.1354 9.1354 k = 0.0345-0.0131-0.0004 ( 6721 PWs) bands (ev): -23.6296 -23.6296 -21.7919 -21.7919 -21.7716 -21.7716 -21.6806 -21.6806 -20.9628 -20.9628 -20.8898 -20.8898 -19.1266 -19.1266 -14.3766 -14.3766 -9.1216 -9.1216 -7.4325 -7.4325 -5.5316 -5.5316 -5.4616 -5.4616 -5.4079 -5.4079 -5.1407 -5.1407 -4.8656 -4.8656 -4.7012 -4.7012 -3.3821 -3.3821 -3.3460 -3.3460 -3.3231 -3.3231 -2.7228 -2.7228 -2.5551 -2.5551 -1.7996 -1.7996 -1.7269 -1.7269 -1.6530 -1.6530 -1.6217 -1.6217 -1.5729 -1.5729 -1.4238 -1.4238 -1.1071 -1.1071 -0.9410 -0.9410 -0.9167 -0.9167 -0.2075 -0.2075 -0.1213 -0.1213 2.9890 2.9890 3.2111 3.2111 5.9740 5.9740 6.7144 6.7144 8.5063 8.5063 9.1345 9.1345 k = 0.0517-0.0196-0.0006 ( 6726 PWs) bands (ev): -23.6295 -23.6295 -21.7921 -21.7921 -21.7718 -21.7718 -21.6806 -21.6806 -20.9627 -20.9627 -20.8898 -20.8898 -19.1265 -19.1265 -14.3768 -14.3768 -9.1205 -9.1205 -7.4329 -7.4329 -5.5304 -5.5304 -5.4609 -5.4609 -5.4079 -5.4079 -5.1428 -5.1428 -4.8658 -4.8658 -4.7037 -4.7037 -3.3806 -3.3806 -3.3430 -3.3430 -3.3203 -3.3203 -2.7216 -2.7216 -2.5556 -2.5556 -1.8014 -1.8014 -1.7275 -1.7275 -1.6548 -1.6548 -1.6240 -1.6240 -1.5748 -1.5748 -1.4244 -1.4244 -1.1055 -1.1055 -0.9398 -0.9398 -0.9160 -0.9160 -0.2073 -0.2073 -0.1218 -0.1218 2.9882 2.9882 3.2060 3.2060 5.9830 5.9830 6.7115 6.7115 8.5097 8.5097 9.1330 9.1330 k = 0.0690-0.0261-0.0008 ( 6728 PWs) bands (ev): -23.6293 -23.6293 -21.7923 -21.7923 -21.7720 -21.7720 -21.6805 -21.6805 -20.9626 -20.9626 -20.8899 -20.8899 -19.1264 -19.1264 -14.3771 -14.3771 -9.1190 -9.1190 -7.4334 -7.4334 -5.5286 -5.5286 -5.4598 -5.4598 -5.4079 -5.4079 -5.1458 -5.1458 -4.8661 -4.8661 -4.7072 -4.7072 -3.3786 -3.3786 -3.3389 -3.3389 -3.3164 -3.3164 -2.7200 -2.7200 -2.5564 -2.5564 -1.8039 -1.8039 -1.7283 -1.7283 -1.6573 -1.6573 -1.6271 -1.6271 -1.5773 -1.5773 -1.4252 -1.4252 -1.1033 -1.1033 -0.9383 -0.9383 -0.9149 -0.9149 -0.2072 -0.2072 -0.1225 -0.1225 2.9869 2.9869 3.1992 3.1992 5.9956 5.9956 6.7074 6.7074 8.5145 8.5145 9.1308 9.1308 k = 0.0862-0.0327-0.0011 ( 6731 PWs) bands (ev): -23.6291 -23.6291 -21.7927 -21.7927 -21.7723 -21.7723 -21.6804 -21.6804 -20.9624 -20.9624 -20.8899 -20.8899 -19.1263 -19.1263 -14.3774 -14.3774 -9.1170 -9.1170 -7.4341 -7.4341 -5.5265 -5.5265 -5.4584 -5.4584 -5.4080 -5.4080 -5.1496 -5.1496 -4.8665 -4.8665 -4.7116 -4.7116 -3.3762 -3.3762 -3.3336 -3.3336 -3.3114 -3.3114 -2.7179 -2.7179 -2.5574 -2.5574 -1.8071 -1.8071 -1.7293 -1.7293 -1.6606 -1.6606 -1.6310 -1.6310 -1.5804 -1.5804 -1.4262 -1.4262 -1.1005 -1.1005 -0.9364 -0.9364 -0.9135 -0.9135 -0.2071 -0.2071 -0.1233 -0.1233 2.9850 2.9850 3.1908 3.1908 6.0114 6.0114 6.7024 6.7024 8.5205 8.5205 9.1278 9.1278 k = 0.1034-0.0392-0.0013 ( 6731 PWs) bands (ev): -23.6288 -23.6288 -21.7930 -21.7930 -21.7726 -21.7726 -21.6803 -21.6803 -20.9622 -20.9622 -20.8900 -20.8900 -19.1262 -19.1262 -14.3778 -14.3778 -9.1147 -9.1147 -7.4350 -7.4350 -5.5239 -5.5239 -5.4567 -5.4567 -5.4080 -5.4080 -5.1542 -5.1542 -4.8670 -4.8670 -4.7169 -4.7169 -3.3736 -3.3736 -3.3271 -3.3271 -3.3052 -3.3052 -2.7154 -2.7154 -2.5585 -2.5585 -1.8109 -1.8109 -1.7305 -1.7305 -1.6650 -1.6650 -1.6355 -1.6355 -1.5838 -1.5838 -1.4274 -1.4274 -1.0972 -1.0972 -0.9343 -0.9343 -0.9116 -0.9116 -0.2072 -0.2072 -0.1240 -0.1240 2.9824 2.9824 3.1813 3.1813 6.0303 6.0303 6.6963 6.6963 8.5277 8.5277 9.1239 9.1239 k = 0.1207-0.0457-0.0015 ( 6732 PWs) bands (ev): -23.6285 -23.6285 -21.7935 -21.7935 -21.7730 -21.7730 -21.6802 -21.6802 -20.9619 -20.9619 -20.8901 -20.8901 -19.1261 -19.1261 -14.3782 -14.3782 -9.1121 -9.1121 -7.4360 -7.4360 -5.5209 -5.5209 -5.4546 -5.4546 -5.4080 -5.4080 -5.1595 -5.1595 -4.8675 -4.8675 -4.7231 -4.7231 -3.3707 -3.3707 -3.3197 -3.3197 -3.2980 -3.2980 -2.7125 -2.7125 -2.5597 -2.5597 -1.8154 -1.8154 -1.7320 -1.7320 -1.6705 -1.6705 -1.6405 -1.6405 -1.5874 -1.5874 -1.4287 -1.4287 -1.0933 -1.0933 -0.9322 -0.9322 -0.9092 -0.9092 -0.2075 -0.2075 -0.1246 -0.1246 2.9787 2.9787 3.1710 3.1710 6.0522 6.0522 6.6893 6.6893 8.5359 8.5359 9.1191 9.1191 k = 0.1379-0.0523-0.0017 ( 6735 PWs) bands (ev): -23.6281 -23.6281 -21.7940 -21.7940 -21.7734 -21.7734 -21.6801 -21.6801 -20.9616 -20.9616 -20.8902 -20.8902 -19.1260 -19.1260 -14.3787 -14.3787 -9.1091 -9.1091 -7.4371 -7.4371 -5.5177 -5.5177 -5.4521 -5.4521 -5.4079 -5.4079 -5.1655 -5.1655 -4.8681 -4.8681 -4.7300 -4.7300 -3.3676 -3.3676 -3.3113 -3.3113 -3.2897 -3.2897 -2.7093 -2.7093 -2.5611 -2.5611 -1.8205 -1.8205 -1.7338 -1.7338 -1.6772 -1.6772 -1.6459 -1.6459 -1.5912 -1.5912 -1.4303 -1.4303 -1.0889 -1.0889 -0.9300 -0.9300 -0.9063 -0.9063 -0.2083 -0.2083 -0.1249 -0.1249 2.9738 2.9738 3.1603 3.1603 6.0767 6.0767 6.6816 6.6816 8.5451 8.5451 9.1132 9.1132 k = 0.1552-0.0588-0.0019 ( 6733 PWs) bands (ev): -23.6277 -23.6277 -21.7946 -21.7946 -21.7738 -21.7738 -21.6799 -21.6799 -20.9613 -20.9613 -20.8903 -20.8903 -19.1258 -19.1258 -14.3793 -14.3793 -9.1058 -9.1058 -7.4384 -7.4384 -5.5141 -5.5141 -5.4493 -5.4493 -5.4077 -5.4077 -5.1720 -5.1720 -4.8688 -4.8688 -4.7377 -4.7377 -3.3645 -3.3645 -3.3021 -3.3021 -3.2804 -3.2804 -2.7056 -2.7056 -2.5625 -2.5625 -1.8262 -1.8262 -1.7360 -1.7360 -1.6850 -1.6850 -1.6514 -1.6514 -1.5949 -1.5949 -1.4319 -1.4319 -1.0841 -1.0841 -0.9279 -0.9279 -0.9029 -0.9029 -0.2095 -0.2095 -0.1248 -0.1248 2.9673 2.9673 3.1498 3.1498 6.1035 6.1035 6.6732 6.6732 8.5552 8.5552 9.1061 9.1061 k = 0.1724-0.0653-0.0021 ( 6734 PWs) bands (ev): -23.6273 -23.6273 -21.7953 -21.7953 -21.7742 -21.7742 -21.6798 -21.6798 -20.9609 -20.9609 -20.8904 -20.8904 -19.1257 -19.1257 -14.3799 -14.3799 -9.1022 -9.1022 -7.4398 -7.4398 -5.5104 -5.5104 -5.4460 -5.4460 -5.4074 -5.4074 -5.1791 -5.1791 -4.8696 -4.8696 -4.7460 -4.7460 -3.3612 -3.3612 -3.2924 -3.2924 -3.2702 -3.2702 -2.7016 -2.7016 -2.5639 -2.5639 -1.8324 -1.8324 -1.7388 -1.7388 -1.6938 -1.6938 -1.6570 -1.6570 -1.5986 -1.5986 -1.4337 -1.4337 -1.0790 -1.0790 -0.9259 -0.9259 -0.8990 -0.8990 -0.2114 -0.2114 -0.1241 -0.1241 2.9591 2.9591 3.1400 3.1400 6.1324 6.1324 6.6643 6.6643 8.5659 8.5659 9.0979 9.0979 k = 0.1897-0.0719-0.0023 ( 6737 PWs) bands (ev): -23.6268 -23.6268 -21.7961 -21.7961 -21.7746 -21.7746 -21.6796 -21.6796 -20.9605 -20.9605 -20.8905 -20.8905 -19.1255 -19.1255 -14.3805 -14.3805 -9.0985 -9.0985 -7.4413 -7.4413 -5.5065 -5.5065 -5.4424 -5.4424 -5.4069 -5.4069 -5.1867 -5.1867 -4.8704 -4.8704 -4.7548 -4.7548 -3.3579 -3.3579 -3.2822 -3.2822 -3.2591 -3.2591 -2.6973 -2.6973 -2.5653 -2.5653 -1.8391 -1.8391 -1.7423 -1.7423 -1.7032 -1.7032 -1.6627 -1.6627 -1.6021 -1.6021 -1.4356 -1.4356 -1.0735 -1.0735 -0.9240 -0.9240 -0.8947 -0.8947 -0.2139 -0.2139 -0.1229 -0.1229 2.9488 2.9488 3.1312 3.1312 6.1631 6.1631 6.6549 6.6549 8.5773 8.5773 9.0884 9.0884 k = 0.2069-0.0784-0.0025 ( 6743 PWs) bands (ev): -23.6264 -23.6264 -21.7969 -21.7969 -21.7751 -21.7751 -21.6795 -21.6795 -20.9601 -20.9601 -20.8906 -20.8906 -19.1253 -19.1253 -14.3812 -14.3812 -9.0945 -9.0945 -7.4429 -7.4429 -5.5026 -5.5026 -5.4384 -5.4384 -5.4062 -5.4062 -5.1947 -5.1947 -4.8713 -4.8713 -4.7641 -4.7641 -3.3546 -3.3546 -3.2716 -3.2716 -3.2474 -3.2474 -2.6928 -2.6928 -2.5667 -2.5667 -1.8462 -1.8462 -1.7471 -1.7471 -1.7125 -1.7125 -1.6685 -1.6685 -1.6055 -1.6055 -1.4375 -1.4375 -1.0678 -1.0678 -0.9221 -0.9221 -0.8901 -0.8901 -0.2172 -0.2172 -0.1210 -0.1210 2.9365 2.9365 3.1238 3.1238 6.1951 6.1951 6.6452 6.6452 8.5891 8.5891 9.0777 9.0777 k = 0.2241-0.0849-0.0027 ( 6745 PWs) bands (ev): -23.6259 -23.6259 -21.7977 -21.7977 -21.7754 -21.7754 -21.6793 -21.6793 -20.9598 -20.9598 -20.8907 -20.8907 -19.1251 -19.1251 -14.3818 -14.3818 -9.0904 -9.0904 -7.4445 -7.4445 -5.4986 -5.4986 -5.4340 -5.4340 -5.4052 -5.4052 -5.2030 -5.2030 -4.8723 -4.8723 -4.7737 -4.7737 -3.3513 -3.3513 -3.2608 -3.2608 -3.2351 -3.2351 -2.6879 -2.6879 -2.5680 -2.5680 -1.8536 -1.8536 -1.7538 -1.7538 -1.7208 -1.7208 -1.6743 -1.6743 -1.6087 -1.6087 -1.4395 -1.4395 -1.0620 -1.0620 -0.9202 -0.9202 -0.8852 -0.8852 -0.2210 -0.2210 -0.1186 -0.1186 2.9222 2.9222 3.1178 3.1178 6.2282 6.2282 6.6353 6.6353 8.6012 8.6012 9.0658 9.0658 k = 0.2414-0.0915-0.0029 ( 6744 PWs) bands (ev): -23.6254 -23.6254 -21.7986 -21.7986 -21.7758 -21.7758 -21.6791 -21.6791 -20.9593 -20.9593 -20.8909 -20.8909 -19.1249 -19.1249 -14.3825 -14.3825 -9.0862 -9.0862 -7.4463 -7.4463 -5.4947 -5.4947 -5.4294 -5.4294 -5.4039 -5.4039 -5.2117 -5.2117 -4.8734 -4.8734 -4.7836 -4.7836 -3.3480 -3.3480 -3.2498 -3.2498 -3.2224 -3.2224 -2.6829 -2.6829 -2.5692 -2.5692 -1.8613 -1.8613 -1.7629 -1.7629 -1.7275 -1.7275 -1.6801 -1.6801 -1.6117 -1.6117 -1.4415 -1.4415 -1.0561 -1.0561 -0.9183 -0.9183 -0.8801 -0.8801 -0.2255 -0.2255 -0.1156 -0.1156 2.9064 2.9064 3.1132 3.1132 6.2621 6.2621 6.6253 6.6253 8.6134 8.6134 9.0528 9.0528 k = 0.2586-0.0980-0.0032 ( 6743 PWs) bands (ev): -23.6249 -23.6249 -21.7995 -21.7995 -21.7762 -21.7762 -21.6789 -21.6789 -20.9589 -20.9589 -20.8910 -20.8910 -19.1248 -19.1248 -14.3832 -14.3832 -9.0820 -9.0820 -7.4480 -7.4480 -5.4909 -5.4909 -5.4246 -5.4246 -5.4021 -5.4021 -5.2205 -5.2205 -4.8747 -4.8747 -4.7935 -4.7935 -3.3447 -3.3447 -3.2389 -3.2389 -3.2096 -3.2096 -2.6776 -2.6776 -2.5703 -2.5703 -1.8693 -1.8693 -1.7743 -1.7743 -1.7325 -1.7325 -1.6858 -1.6858 -1.6146 -1.6146 -1.4435 -1.4435 -1.0502 -1.0502 -0.9164 -0.9164 -0.8750 -0.8750 -0.2304 -0.2304 -0.1121 -0.1121 2.8893 2.8893 3.1099 3.1099 6.2962 6.2962 6.6154 6.6154 8.6256 8.6256 9.0389 9.0389 k = 0.2759-0.1045-0.0034 ( 6744 PWs) bands (ev): -23.6244 -23.6244 -21.8005 -21.8005 -21.7765 -21.7765 -21.6787 -21.6787 -20.9585 -20.9585 -20.8911 -20.8911 -19.1246 -19.1246 -14.3839 -14.3839 -9.0778 -9.0778 -7.4498 -7.4498 -5.4873 -5.4873 -5.4198 -5.4198 -5.3996 -5.3996 -5.2295 -5.2295 -4.8761 -4.8761 -4.8034 -4.8034 -3.3416 -3.3416 -3.2280 -3.2280 -3.1967 -3.1967 -2.6723 -2.6723 -2.5712 -2.5712 -1.8773 -1.8773 -1.7870 -1.7870 -1.7365 -1.7365 -1.6914 -1.6914 -1.6172 -1.6172 -1.4455 -1.4455 -1.0445 -1.0445 -0.9143 -0.9143 -0.8699 -0.8699 -0.2358 -0.2358 -0.1082 -0.1082 2.8713 2.8713 3.1076 3.1076 6.3303 6.3303 6.6056 6.6056 8.6377 8.6377 9.0242 9.0242 k = 0.2931-0.1111-0.0036 ( 6747 PWs) bands (ev): -23.6239 -23.6239 -21.8014 -21.8014 -21.7768 -21.7768 -21.6786 -21.6786 -20.9581 -20.9581 -20.8912 -20.8912 -19.1244 -19.1244 -14.3846 -14.3846 -9.0736 -9.0736 -7.4516 -7.4516 -5.4838 -5.4838 -5.4153 -5.4153 -5.3963 -5.3963 -5.2386 -5.2386 -4.8778 -4.8778 -4.8130 -4.8130 -3.3385 -3.3385 -3.2173 -3.2173 -3.1841 -3.1841 -2.6668 -2.6668 -2.5719 -2.5719 -1.8854 -1.8854 -1.8006 -1.8006 -1.7397 -1.7397 -1.6969 -1.6969 -1.6197 -1.6197 -1.4475 -1.4475 -1.0390 -1.0390 -0.9122 -0.9122 -0.8648 -0.8648 -0.2414 -0.2414 -0.1041 -0.1041 2.8530 2.8530 3.1062 3.1062 6.3640 6.3640 6.5962 6.5962 8.6496 8.6496 9.0089 9.0089 k = 0.3103-0.1176-0.0038 ( 6747 PWs) bands (ev): -23.6234 -23.6234 -21.8024 -21.8024 -21.7771 -21.7771 -21.6784 -21.6784 -20.9578 -20.9578 -20.8913 -20.8913 -19.1242 -19.1242 -14.3852 -14.3852 -9.0695 -9.0695 -7.4534 -7.4534 -5.4805 -5.4805 -5.4112 -5.4112 -5.3922 -5.3922 -5.2477 -5.2477 -4.8798 -4.8798 -4.8221 -4.8221 -3.3356 -3.3356 -3.2070 -3.2070 -3.1718 -3.1718 -2.6612 -2.6612 -2.5724 -2.5724 -1.8934 -1.8934 -1.8145 -1.8145 -1.7426 -1.7426 -1.7021 -1.7021 -1.6220 -1.6220 -1.4494 -1.4494 -1.0338 -1.0338 -0.9099 -0.9099 -0.8599 -0.8599 -0.2472 -0.2472 -0.0998 -0.0998 2.8347 2.8347 3.1054 3.1054 6.3969 6.3969 6.5872 6.5872 8.6610 8.6610 8.9933 8.9933 k = 0.3276-0.1241-0.0040 ( 6742 PWs) bands (ev): -23.6230 -23.6230 -21.8033 -21.8033 -21.7773 -21.7773 -21.6782 -21.6782 -20.9574 -20.9574 -20.8914 -20.8914 -19.1240 -19.1240 -14.3859 -14.3859 -9.0656 -9.0656 -7.4551 -7.4551 -5.4774 -5.4774 -5.4075 -5.4075 -5.3872 -5.3872 -5.2568 -5.2568 -4.8824 -4.8824 -4.8305 -4.8305 -3.3329 -3.3329 -3.1970 -3.1970 -3.1600 -3.1600 -2.6557 -2.6557 -2.5728 -2.5728 -1.9012 -1.9012 -1.8283 -1.8283 -1.7452 -1.7452 -1.7071 -1.7071 -1.6241 -1.6241 -1.4512 -1.4512 -1.0289 -1.0289 -0.9076 -0.9076 -0.8551 -0.8551 -0.2530 -0.2530 -0.0954 -0.0954 2.8167 2.8167 3.1051 3.1051 6.4284 6.4284 6.5787 6.5787 8.6719 8.6719 8.9777 8.9777 k = 0.3448-0.1307-0.0042 ( 6736 PWs) bands (ev): -23.6225 -23.6225 -21.8041 -21.8041 -21.7775 -21.7775 -21.6781 -21.6781 -20.9570 -20.9570 -20.8915 -20.8915 -19.1239 -19.1239 -14.3865 -14.3865 -9.0619 -9.0619 -7.4568 -7.4568 -5.4746 -5.4746 -5.4040 -5.4040 -5.3817 -5.3817 -5.2658 -5.2658 -4.8855 -4.8855 -4.8379 -4.8379 -3.3303 -3.3303 -3.1876 -3.1876 -3.1489 -3.1489 -2.6502 -2.6502 -2.5729 -2.5729 -1.9088 -1.9088 -1.8418 -1.8418 -1.7476 -1.7476 -1.7116 -1.7116 -1.6261 -1.6261 -1.4528 -1.4528 -1.0245 -1.0245 -0.9052 -0.9052 -0.8506 -0.8506 -0.2587 -0.2587 -0.0911 -0.0911 2.7995 2.7995 3.1052 3.1052 6.4583 6.4583 6.5710 6.5710 8.6821 8.6821 8.9623 8.9623 k = 0.3621-0.1372-0.0044 ( 6740 PWs) bands (ev): -23.6221 -23.6221 -21.8050 -21.8050 -21.7777 -21.7777 -21.6779 -21.6779 -20.9567 -20.9567 -20.8916 -20.8916 -19.1237 -19.1237 -14.3870 -14.3870 -9.0585 -9.0585 -7.4584 -7.4584 -5.4721 -5.4721 -5.4006 -5.4006 -5.3759 -5.3759 -5.2746 -5.2746 -4.8892 -4.8892 -4.8442 -4.8442 -3.3280 -3.3280 -3.1788 -3.1788 -3.1386 -3.1386 -2.6450 -2.6450 -2.5729 -2.5729 -1.9160 -1.9160 -1.8546 -1.8546 -1.7498 -1.7498 -1.7158 -1.7158 -1.6278 -1.6278 -1.4544 -1.4544 -1.0205 -1.0205 -0.9028 -0.9028 -0.8464 -0.8464 -0.2642 -0.2642 -0.0869 -0.0869 2.7833 2.7833 3.1054 3.1054 6.4859 6.4859 6.5642 6.5642 8.6915 8.6915 8.9474 8.9474 k = 0.3793-0.1437-0.0046 ( 6739 PWs) bands (ev): -23.6218 -23.6218 -21.8057 -21.8057 -21.7779 -21.7779 -21.6778 -21.6778 -20.9564 -20.9564 -20.8917 -20.8917 -19.1236 -19.1236 -14.3875 -14.3875 -9.0553 -9.0553 -7.4598 -7.4598 -5.4698 -5.4698 -5.3973 -5.3973 -5.3700 -5.3700 -5.2831 -5.2831 -4.8936 -4.8936 -4.8492 -4.8492 -3.3258 -3.3258 -3.1708 -3.1708 -3.1292 -3.1292 -2.6400 -2.6400 -2.5728 -2.5728 -1.9227 -1.9227 -1.8665 -1.8665 -1.7519 -1.7519 -1.7195 -1.7195 -1.6294 -1.6294 -1.4558 -1.4558 -1.0170 -1.0170 -0.9004 -0.9004 -0.8425 -0.8425 -0.2693 -0.2693 -0.0829 -0.0829 2.7684 2.7684 3.1059 3.1059 6.5102 6.5102 6.5592 6.5592 8.7001 8.7001 8.9333 8.9333 k = 0.3966-0.1503-0.0048 ( 6739 PWs) bands (ev): -23.6214 -23.6214 -21.8064 -21.8064 -21.7780 -21.7780 -21.6777 -21.6777 -20.9562 -20.9562 -20.8918 -20.8918 -19.1235 -19.1235 -14.3880 -14.3880 -9.0525 -9.0525 -7.4611 -7.4611 -5.4678 -5.4678 -5.3938 -5.3938 -5.3644 -5.3644 -5.2913 -5.2913 -4.8982 -4.8982 -4.8530 -4.8530 -3.3240 -3.3240 -3.1636 -3.1636 -3.1209 -3.1209 -2.6354 -2.6354 -2.5726 -2.5726 -1.9289 -1.9289 -1.8774 -1.8774 -1.7537 -1.7537 -1.7228 -1.7228 -1.6308 -1.6308 -1.4571 -1.4571 -1.0140 -1.0140 -0.8982 -0.8982 -0.8390 -0.8390 -0.2741 -0.2741 -0.0793 -0.0793 2.7550 2.7550 3.1064 3.1064 6.5284 6.5284 6.5585 6.5585 8.7078 8.7078 8.9204 8.9204 k = 0.4138-0.1568-0.0050 ( 6736 PWs) bands (ev): -23.6211 -23.6211 -21.8070 -21.8070 -21.7781 -21.7781 -21.6776 -21.6776 -20.9560 -20.9560 -20.8919 -20.8919 -19.1234 -19.1234 -14.3883 -14.3883 -9.0500 -9.0500 -7.4623 -7.4623 -5.4661 -5.4661 -5.3904 -5.3904 -5.3591 -5.3591 -5.2991 -5.2991 -4.9029 -4.9029 -4.8558 -4.8558 -3.3224 -3.3224 -3.1573 -3.1573 -3.1137 -3.1137 -2.6313 -2.6313 -2.5722 -2.5722 -1.9344 -1.9344 -1.8869 -1.8869 -1.7554 -1.7554 -1.7256 -1.7256 -1.6320 -1.6320 -1.4582 -1.4582 -1.0115 -1.0115 -0.8961 -0.8961 -0.8359 -0.8359 -0.2783 -0.2783 -0.0761 -0.0761 2.7433 2.7433 3.1069 3.1069 6.5350 6.5350 6.5671 6.5671 8.7144 8.7144 8.9089 8.9089 k = 0.4310-0.1633-0.0053 ( 6737 PWs) bands (ev): -23.6209 -23.6209 -21.8075 -21.8075 -21.7782 -21.7782 -21.6775 -21.6775 -20.9558 -20.9558 -20.8919 -20.8919 -19.1233 -19.1233 -14.3887 -14.3887 -9.0480 -9.0480 -7.4632 -7.4632 -5.4647 -5.4647 -5.3870 -5.3870 -5.3543 -5.3543 -5.3063 -5.3063 -4.9073 -4.9073 -4.8578 -4.8578 -3.3210 -3.3210 -3.1521 -3.1521 -3.1078 -3.1078 -2.6277 -2.6277 -2.5719 -2.5719 -1.9392 -1.9392 -1.8949 -1.8949 -1.7568 -1.7568 -1.7278 -1.7278 -1.6329 -1.6329 -1.4591 -1.4591 -1.0095 -1.0095 -0.8943 -0.8943 -0.8333 -0.8333 -0.2819 -0.2819 -0.0734 -0.0734 2.7335 2.7335 3.1074 3.1074 6.5343 6.5343 6.5807 6.5807 8.7199 8.7199 8.8991 8.8991 k = 0.4483-0.1699-0.0055 ( 6732 PWs) bands (ev): -23.6207 -23.6207 -21.8079 -21.8079 -21.7783 -21.7783 -21.6774 -21.6774 -20.9556 -20.9556 -20.8920 -20.8920 -19.1232 -19.1232 -14.3889 -14.3889 -9.0463 -9.0463 -7.4640 -7.4640 -5.4636 -5.4636 -5.3839 -5.3839 -5.3500 -5.3500 -5.3128 -5.3128 -4.9111 -4.9111 -4.8592 -4.8592 -3.3200 -3.3200 -3.1479 -3.1479 -3.1031 -3.1031 -2.6249 -2.6249 -2.5715 -2.5715 -1.9430 -1.9430 -1.9013 -1.9013 -1.7579 -1.7579 -1.7296 -1.7296 -1.6337 -1.6337 -1.4598 -1.4598 -1.0080 -1.0080 -0.8928 -0.8928 -0.8313 -0.8313 -0.2848 -0.2848 -0.0712 -0.0712 2.7258 2.7258 3.1078 3.1078 6.5322 6.5322 6.5930 6.5930 8.7242 8.7242 8.8912 8.8912 k = 0.4655-0.1764-0.0057 ( 6731 PWs) bands (ev): -23.6206 -23.6206 -21.8082 -21.8082 -21.7783 -21.7783 -21.6774 -21.6774 -20.9555 -20.9555 -20.8920 -20.8920 -19.1231 -19.1231 -14.3891 -14.3891 -9.0451 -9.0451 -7.4645 -7.4645 -5.4628 -5.4628 -5.3814 -5.3814 -5.3465 -5.3465 -5.3182 -5.3182 -4.9139 -4.9139 -4.8601 -4.8601 -3.3192 -3.3192 -3.1449 -3.1449 -3.0997 -3.0997 -2.6228 -2.6228 -2.5712 -2.5712 -1.9459 -1.9459 -1.9059 -1.9059 -1.7588 -1.7588 -1.7308 -1.7308 -1.6342 -1.6342 -1.4603 -1.4603 -1.0069 -1.0069 -0.8917 -0.8917 -0.8298 -0.8298 -0.2869 -0.2869 -0.0696 -0.0696 2.7201 2.7201 3.1082 3.1082 6.5303 6.5303 6.6024 6.6024 8.7273 8.7273 8.8855 8.8855 k = 0.4828-0.1829-0.0059 ( 6733 PWs) bands (ev): -23.6205 -23.6205 -21.8083 -21.8083 -21.7784 -21.7784 -21.6773 -21.6773 -20.9555 -20.9555 -20.8920 -20.8920 -19.1231 -19.1231 -14.3892 -14.3892 -9.0444 -9.0444 -7.4649 -7.4649 -5.4623 -5.4623 -5.3796 -5.3796 -5.3439 -5.3439 -5.3220 -5.3220 -4.9157 -4.9157 -4.8607 -4.8607 -3.3188 -3.3188 -3.1431 -3.1431 -3.0976 -3.0976 -2.6215 -2.6215 -2.5710 -2.5710 -1.9476 -1.9476 -1.9086 -1.9086 -1.7593 -1.7593 -1.7315 -1.7315 -1.6346 -1.6346 -1.4606 -1.4606 -1.0062 -1.0062 -0.8910 -0.8910 -0.8289 -0.8289 -0.2882 -0.2882 -0.0686 -0.0686 2.7167 2.7167 3.1084 3.1084 6.5291 6.5291 6.6081 6.6081 8.7292 8.7292 8.8819 8.8819 k = 0.5000-0.1895-0.0061 ( 6732 PWs) bands (ev): -23.6205 -23.6205 -21.8084 -21.8084 -21.7784 -21.7784 -21.6773 -21.6773 -20.9554 -20.9554 -20.8920 -20.8920 -19.1231 -19.1231 -14.3893 -14.3893 -9.0442 -9.0442 -7.4650 -7.4650 -5.4622 -5.4622 -5.3790 -5.3790 -5.3429 -5.3429 -5.3235 -5.3235 -4.9163 -4.9163 -4.8608 -4.8608 -3.3186 -3.3186 -3.1425 -3.1425 -3.0969 -3.0969 -2.6211 -2.6211 -2.5709 -2.5709 -1.9482 -1.9482 -1.9096 -1.9096 -1.7595 -1.7595 -1.7318 -1.7318 -1.6347 -1.6347 -1.4607 -1.4607 -1.0060 -1.0060 -0.8908 -0.8908 -0.8286 -0.8286 -0.2887 -0.2887 -0.0683 -0.0683 2.7156 2.7156 3.1084 3.1084 6.5287 6.5287 6.6101 6.6101 8.7298 8.7298 8.8807 8.8807 k = 0.5000-0.1895 0.5415 ( 6726 PWs) bands (ev): -23.6056 -23.6056 -21.8033 -21.8033 -21.7719 -21.7719 -21.7076 -21.7076 -20.9586 -20.9586 -20.8952 -20.8952 -19.1220 -19.1220 -14.3896 -14.3896 -8.9920 -8.9920 -7.4610 -7.4610 -5.6064 -5.6064 -5.4738 -5.4738 -5.4080 -5.4080 -5.1260 -5.1260 -4.8364 -4.8364 -4.7770 -4.7770 -3.3160 -3.3160 -3.2981 -3.2981 -3.1228 -3.1228 -2.6950 -2.6950 -2.6094 -2.6094 -1.9278 -1.9278 -1.8279 -1.8279 -1.7834 -1.7834 -1.6458 -1.6458 -1.6023 -1.6023 -1.5459 -1.5459 -1.0616 -1.0616 -0.8579 -0.8579 -0.8180 -0.8180 -0.2411 -0.2411 -0.0274 -0.0274 2.6861 2.6861 3.0951 3.0951 6.3557 6.3557 6.8263 6.8263 8.6000 8.6000 10.1614 10.1614 k = 0.4881-0.1850 0.5286 ( 6726 PWs) bands (ev): -23.6056 -23.6056 -21.8033 -21.8033 -21.7720 -21.7720 -21.7076 -21.7076 -20.9586 -20.9586 -20.8952 -20.8952 -19.1220 -19.1220 -14.3896 -14.3896 -8.9921 -8.9921 -7.4611 -7.4611 -5.6059 -5.6059 -5.4736 -5.4736 -5.4079 -5.4079 -5.1264 -5.1264 -4.8367 -4.8367 -4.7772 -4.7772 -3.3156 -3.3156 -3.2979 -3.2979 -3.1229 -3.1229 -2.6952 -2.6952 -2.6094 -2.6094 -1.9274 -1.9274 -1.8276 -1.8276 -1.7835 -1.7835 -1.6459 -1.6459 -1.6024 -1.6024 -1.5462 -1.5462 -1.0614 -1.0614 -0.8579 -0.8579 -0.8180 -0.8180 -0.2411 -0.2411 -0.0277 -0.0277 2.6865 2.6865 3.0951 3.0951 6.3559 6.3559 6.8262 6.8262 8.6000 8.6000 10.1585 10.1585 k = 0.4762-0.1804 0.5157 ( 6728 PWs) bands (ev): -23.6057 -23.6057 -21.8032 -21.8032 -21.7720 -21.7720 -21.7075 -21.7075 -20.9586 -20.9586 -20.8951 -20.8951 -19.1220 -19.1220 -14.3896 -14.3896 -8.9927 -8.9927 -7.4613 -7.4613 -5.6043 -5.6043 -5.4728 -5.4728 -5.4077 -5.4077 -5.1274 -5.1274 -4.8376 -4.8376 -4.7780 -4.7780 -3.3146 -3.3146 -3.2973 -3.2973 -3.1232 -3.1232 -2.6957 -2.6957 -2.6095 -2.6095 -1.9263 -1.9263 -1.8265 -1.8265 -1.7838 -1.7838 -1.6462 -1.6462 -1.6026 -1.6026 -1.5472 -1.5472 -1.0610 -1.0610 -0.8578 -0.8578 -0.8182 -0.8182 -0.2411 -0.2411 -0.0286 -0.0286 2.6877 2.6877 3.0951 3.0951 6.3567 6.3567 6.8259 6.8259 8.6000 8.6000 10.1500 10.1500 k = 0.4643-0.1759 0.5028 ( 6728 PWs) bands (ev): -23.6059 -23.6059 -21.8031 -21.8031 -21.7720 -21.7720 -21.7073 -21.7073 -20.9586 -20.9586 -20.8951 -20.8951 -19.1220 -19.1220 -14.3895 -14.3895 -8.9935 -8.9935 -7.4618 -7.4618 -5.6018 -5.6018 -5.4716 -5.4716 -5.4073 -5.4073 -5.1291 -5.1291 -4.8392 -4.8392 -4.7793 -4.7793 -3.3131 -3.3131 -3.2961 -3.2961 -3.1237 -3.1237 -2.6966 -2.6966 -2.6095 -2.6095 -1.9244 -1.9244 -1.8247 -1.8247 -1.7842 -1.7842 -1.6467 -1.6467 -1.6029 -1.6029 -1.5488 -1.5488 -1.0603 -1.0603 -0.8576 -0.8576 -0.8185 -0.8185 -0.2411 -0.2411 -0.0301 -0.0301 2.6897 2.6897 3.0950 3.0950 6.3579 6.3579 6.8253 6.8253 8.5999 8.5999 10.1357 10.1357 k = 0.4524-0.1714 0.4899 ( 6726 PWs) bands (ev): -23.6061 -23.6061 -21.8030 -21.8030 -21.7720 -21.7720 -21.7071 -21.7071 -20.9586 -20.9586 -20.8950 -20.8950 -19.1220 -19.1220 -14.3893 -14.3893 -8.9947 -8.9947 -7.4624 -7.4624 -5.5982 -5.5982 -5.4699 -5.4699 -5.4068 -5.4068 -5.1316 -5.1316 -4.8413 -4.8413 -4.7810 -4.7810 -3.3114 -3.3114 -3.2941 -3.2941 -3.1245 -3.1245 -2.6977 -2.6977 -2.6096 -2.6096 -1.9219 -1.9219 -1.8223 -1.8223 -1.7846 -1.7846 -1.6473 -1.6473 -1.6034 -1.6034 -1.5509 -1.5509 -1.0593 -1.0593 -0.8575 -0.8575 -0.8190 -0.8190 -0.2411 -0.2411 -0.0321 -0.0321 2.6924 2.6924 3.0950 3.0950 6.3596 6.3596 6.8245 6.8245 8.5998 8.5998 10.1155 10.1155 k = 0.4405-0.1669 0.4770 ( 6721 PWs) bands (ev): -23.6064 -23.6064 -21.8028 -21.8028 -21.7721 -21.7721 -21.7068 -21.7068 -20.9587 -20.9587 -20.8950 -20.8950 -19.1221 -19.1221 -14.3892 -14.3892 -8.9963 -8.9963 -7.4632 -7.4632 -5.5938 -5.5938 -5.4678 -5.4678 -5.4061 -5.4061 -5.1347 -5.1347 -4.8440 -4.8440 -4.7831 -4.7831 -3.3098 -3.3098 -3.2912 -3.2912 -3.1255 -3.1255 -2.6991 -2.6991 -2.6096 -2.6096 -1.9189 -1.9189 -1.8194 -1.8194 -1.7850 -1.7850 -1.6481 -1.6481 -1.6039 -1.6039 -1.5535 -1.5535 -1.0580 -1.0580 -0.8573 -0.8573 -0.8196 -0.8196 -0.2411 -0.2411 -0.0347 -0.0347 2.6959 2.6959 3.0949 3.0949 6.3618 6.3618 6.8234 6.8234 8.5997 8.5997 10.0893 10.0893 k = 0.4286-0.1624 0.4641 ( 6728 PWs) bands (ev): -23.6067 -23.6067 -21.8026 -21.8026 -21.7721 -21.7721 -21.7064 -21.7064 -20.9587 -20.9587 -20.8949 -20.8949 -19.1221 -19.1221 -14.3890 -14.3890 -8.9982 -8.9982 -7.4641 -7.4641 -5.5885 -5.5885 -5.4653 -5.4653 -5.4052 -5.4052 -5.1386 -5.1386 -4.8471 -4.8471 -4.7855 -4.7855 -3.3084 -3.3084 -3.2873 -3.2873 -3.1269 -3.1269 -2.7006 -2.7006 -2.6095 -2.6095 -1.9154 -1.9154 -1.8161 -1.8161 -1.7852 -1.7852 -1.6491 -1.6491 -1.6045 -1.6045 -1.5566 -1.5566 -1.0566 -1.0566 -0.8571 -0.8571 -0.8203 -0.8203 -0.2410 -0.2410 -0.0378 -0.0378 2.7002 2.7002 3.0949 3.0949 6.3643 6.3643 6.8220 6.8220 8.5995 8.5995 10.0571 10.0571 k = 0.4167-0.1579 0.4512 ( 6728 PWs) bands (ev): -23.6071 -23.6071 -21.8024 -21.8024 -21.7722 -21.7722 -21.7059 -21.7059 -20.9587 -20.9587 -20.8948 -20.8948 -19.1222 -19.1222 -14.3887 -14.3887 -9.0004 -9.0004 -7.4650 -7.4650 -5.5824 -5.5824 -5.4624 -5.4624 -5.4040 -5.4040 -5.1433 -5.1433 -4.8506 -4.8506 -4.7882 -4.7882 -3.3074 -3.3074 -3.2824 -3.2824 -3.1286 -3.1286 -2.7023 -2.7023 -2.6093 -2.6093 -1.9115 -1.9115 -1.8125 -1.8125 -1.7849 -1.7849 -1.6501 -1.6501 -1.6052 -1.6052 -1.5599 -1.5599 -1.0549 -1.0549 -0.8570 -0.8570 -0.8212 -0.8212 -0.2410 -0.2410 -0.0414 -0.0414 2.7052 2.7052 3.0949 3.0949 6.3672 6.3672 6.8201 6.8201 8.5992 8.5992 10.0190 10.0190 k = 0.4048-0.1534 0.4384 ( 6727 PWs) bands (ev): -23.6076 -23.6076 -21.8022 -21.8022 -21.7722 -21.7722 -21.7054 -21.7054 -20.9588 -20.9588 -20.8947 -20.8947 -19.1222 -19.1222 -14.3885 -14.3885 -9.0029 -9.0029 -7.4661 -7.4661 -5.5756 -5.5756 -5.4593 -5.4593 -5.4026 -5.4026 -5.1487 -5.1487 -4.8545 -4.8545 -4.7909 -4.7909 -3.3067 -3.3067 -3.2768 -3.2768 -3.1307 -3.1307 -2.7040 -2.7040 -2.6090 -2.6090 -1.9075 -1.9075 -1.8091 -1.8091 -1.7839 -1.7839 -1.6512 -1.6512 -1.6059 -1.6059 -1.5636 -1.5636 -1.0532 -1.0532 -0.8570 -0.8570 -0.8222 -0.8222 -0.2408 -0.2408 -0.0454 -0.0454 2.7108 2.7108 3.0949 3.0949 6.3704 6.3704 6.8177 6.8177 8.5989 8.5989 9.9754 9.9754 k = 0.3929-0.1489 0.4255 ( 6729 PWs) bands (ev): -23.6081 -23.6081 -21.8019 -21.8019 -21.7723 -21.7723 -21.7049 -21.7049 -20.9588 -20.9588 -20.8945 -20.8945 -19.1223 -19.1223 -14.3882 -14.3882 -9.0057 -9.0057 -7.4671 -7.4671 -5.5682 -5.5682 -5.4559 -5.4559 -5.4008 -5.4008 -5.1550 -5.1550 -4.8585 -4.8585 -4.7938 -4.7938 -3.3063 -3.3063 -3.2707 -3.2707 -3.1334 -3.1334 -2.7056 -2.7056 -2.6085 -2.6085 -1.9034 -1.9034 -1.8059 -1.8059 -1.7817 -1.7817 -1.6523 -1.6523 -1.6067 -1.6067 -1.5673 -1.5673 -1.0513 -1.0513 -0.8572 -0.8572 -0.8234 -0.8234 -0.2406 -0.2406 -0.0498 -0.0498 2.7172 2.7172 3.0951 3.0951 6.3739 6.3739 6.8148 6.8148 8.5984 8.5984 9.9270 9.9270 k = 0.3810-0.1444 0.4126 ( 6729 PWs) bands (ev): -23.6087 -23.6087 -21.8016 -21.8016 -21.7723 -21.7723 -21.7043 -21.7043 -20.9589 -20.9589 -20.8944 -20.8944 -19.1223 -19.1223 -14.3879 -14.3879 -9.0088 -9.0088 -7.4681 -7.4681 -5.5604 -5.5604 -5.4524 -5.4524 -5.3985 -5.3985 -5.1620 -5.1620 -4.8627 -4.8627 -4.7966 -4.7966 -3.3060 -3.3060 -3.2644 -3.2644 -3.1365 -3.1365 -2.7071 -2.7071 -2.6078 -2.6078 -1.8995 -1.8995 -1.8033 -1.8033 -1.7782 -1.7782 -1.6535 -1.6535 -1.6074 -1.6074 -1.5710 -1.5710 -1.0494 -1.0494 -0.8575 -0.8575 -0.8248 -0.8248 -0.2403 -0.2403 -0.0545 -0.0545 2.7242 2.7242 3.0954 3.0954 6.3775 6.3775 6.8112 6.8112 8.5978 8.5978 9.8747 9.8747 k = 0.3690-0.1398 0.3997 ( 6733 PWs) bands (ev): -23.6093 -23.6093 -21.8013 -21.8013 -21.7724 -21.7724 -21.7036 -21.7036 -20.9590 -20.9590 -20.8942 -20.8942 -19.1224 -19.1224 -14.3875 -14.3875 -9.0121 -9.0121 -7.4691 -7.4691 -5.5522 -5.5522 -5.4488 -5.4488 -5.3958 -5.3958 -5.1697 -5.1697 -4.8670 -4.8670 -4.7992 -4.7992 -3.3059 -3.3059 -3.2581 -3.2581 -3.1402 -3.1402 -2.7084 -2.7084 -2.6068 -2.6068 -1.8959 -1.8959 -1.8011 -1.8011 -1.7735 -1.7735 -1.6546 -1.6546 -1.6082 -1.6082 -1.5745 -1.5745 -1.0474 -1.0474 -0.8581 -0.8581 -0.8263 -0.8263 -0.2399 -0.2399 -0.0595 -0.0595 2.7318 2.7318 3.0958 3.0958 6.3812 6.3812 6.8070 6.8070 8.5970 8.5970 9.8196 9.8196 k = 0.3571-0.1353 0.3868 ( 6736 PWs) bands (ev): -23.6100 -23.6100 -21.8009 -21.8009 -21.7725 -21.7725 -21.7029 -21.7029 -20.9590 -20.9590 -20.8941 -20.8941 -19.1225 -19.1225 -14.3872 -14.3872 -9.0158 -9.0158 -7.4700 -7.4700 -5.5439 -5.5439 -5.4452 -5.4452 -5.3925 -5.3925 -5.1783 -5.1783 -4.8712 -4.8712 -4.8016 -4.8016 -3.3059 -3.3059 -3.2521 -3.2521 -3.1444 -3.1444 -2.7095 -2.7095 -2.6056 -2.6056 -1.8926 -1.8926 -1.7988 -1.7988 -1.7680 -1.7680 -1.6556 -1.6556 -1.6091 -1.6091 -1.5776 -1.5776 -1.0455 -1.0455 -0.8591 -0.8591 -0.8279 -0.8279 -0.2394 -0.2394 -0.0647 -0.0647 2.7399 2.7399 3.0964 3.0964 6.3849 6.3849 6.8019 6.8019 8.5960 8.5960 9.7627 9.7627 k = 0.3452-0.1308 0.3739 ( 6730 PWs) bands (ev): -23.6107 -23.6107 -21.8005 -21.8005 -21.7725 -21.7725 -21.7021 -21.7021 -20.9591 -20.9591 -20.8939 -20.8939 -19.1226 -19.1226 -14.3868 -14.3868 -9.0196 -9.0196 -7.4707 -7.4707 -5.5357 -5.5357 -5.4417 -5.4417 -5.3885 -5.3885 -5.1875 -5.1875 -4.8753 -4.8753 -4.8036 -4.8036 -3.3061 -3.3061 -3.2465 -3.2465 -3.1491 -3.1491 -2.7103 -2.7103 -2.6041 -2.6041 -1.8897 -1.8897 -1.7963 -1.7963 -1.7618 -1.7618 -1.6566 -1.6566 -1.6100 -1.6100 -1.5800 -1.5800 -1.0437 -1.0437 -0.8604 -0.8604 -0.8296 -0.8296 -0.2388 -0.2388 -0.0700 -0.0700 2.7486 2.7486 3.0972 3.0972 6.3883 6.3883 6.7959 6.7959 8.5949 8.5949 9.7051 9.7051 k = 0.3333-0.1263 0.3610 ( 6730 PWs) bands (ev): -23.6115 -23.6115 -21.8001 -21.8001 -21.7726 -21.7726 -21.7013 -21.7013 -20.9592 -20.9592 -20.8937 -20.8937 -19.1227 -19.1227 -14.3863 -14.3863 -9.0237 -9.0237 -7.4713 -7.4713 -5.5276 -5.5276 -5.4384 -5.4384 -5.3837 -5.3837 -5.1974 -5.1974 -4.8792 -4.8792 -4.8053 -4.8053 -3.3064 -3.3064 -3.2417 -3.2417 -3.1545 -3.1545 -2.7108 -2.7108 -2.6024 -2.6024 -1.8873 -1.8873 -1.7933 -1.7933 -1.7554 -1.7554 -1.6574 -1.6574 -1.6111 -1.6111 -1.5817 -1.5817 -1.0420 -1.0420 -0.8621 -0.8621 -0.8315 -0.8315 -0.2380 -0.2380 -0.0753 -0.0753 2.7578 2.7578 3.0982 3.0982 6.3914 6.3914 6.7891 6.7891 8.5935 8.5935 9.6477 9.6477 k = 0.3214-0.1218 0.3481 ( 6727 PWs) bands (ev): -23.6123 -23.6123 -21.7997 -21.7997 -21.7726 -21.7726 -21.7004 -21.7004 -20.9593 -20.9593 -20.8935 -20.8935 -19.1228 -19.1228 -14.3859 -14.3859 -9.0279 -9.0279 -7.4717 -7.4717 -5.5199 -5.5199 -5.4353 -5.4353 -5.3781 -5.3781 -5.2079 -5.2079 -4.8827 -4.8827 -4.8065 -4.8065 -3.3068 -3.3068 -3.2377 -3.2377 -3.1602 -3.1602 -2.7110 -2.7110 -2.6005 -2.6005 -1.8853 -1.8853 -1.7897 -1.7897 -1.7490 -1.7490 -1.6581 -1.6581 -1.6124 -1.6124 -1.5823 -1.5823 -1.0404 -1.0404 -0.8643 -0.8643 -0.8335 -0.8335 -0.2370 -0.2370 -0.0807 -0.0807 2.7674 2.7674 3.0995 3.0995 6.3940 6.3940 6.7815 6.7815 8.5918 8.5918 9.5913 9.5913 k = 0.3095-0.1173 0.3352 ( 6727 PWs) bands (ev): -23.6131 -23.6131 -21.7993 -21.7993 -21.7727 -21.7727 -21.6995 -21.6995 -20.9595 -20.9595 -20.8933 -20.8933 -19.1230 -19.1230 -14.3855 -14.3855 -9.0324 -9.0324 -7.4719 -7.4719 -5.5127 -5.5127 -5.4325 -5.4325 -5.3716 -5.3716 -5.2190 -5.2190 -4.8859 -4.8859 -4.8071 -4.8071 -3.3073 -3.3073 -3.2348 -3.2348 -3.1665 -3.1665 -2.7109 -2.7109 -2.5984 -2.5984 -1.8835 -1.8835 -1.7856 -1.7856 -1.7428 -1.7428 -1.6585 -1.6585 -1.6139 -1.6139 -1.5818 -1.5818 -1.0391 -1.0391 -0.8669 -0.8669 -0.8356 -0.8356 -0.2360 -0.2360 -0.0860 -0.0860 2.7775 2.7775 3.1010 3.1010 6.3958 6.3958 6.7730 6.7730 8.5899 8.5899 9.5367 9.5367 k = 0.2976-0.1128 0.3223 ( 6724 PWs) bands (ev): -23.6139 -23.6139 -21.7989 -21.7989 -21.7727 -21.7727 -21.6986 -21.6986 -20.9596 -20.9596 -20.8931 -20.8931 -19.1231 -19.1231 -14.3850 -14.3850 -9.0369 -9.0369 -7.4719 -7.4719 -5.5063 -5.5063 -5.4300 -5.4300 -5.3642 -5.3642 -5.2305 -5.2305 -4.8886 -4.8886 -4.8072 -4.8072 -3.3080 -3.3080 -3.2332 -3.2332 -3.1730 -3.1730 -2.7105 -2.7105 -2.5961 -2.5961 -1.8818 -1.8818 -1.7810 -1.7810 -1.7370 -1.7370 -1.6588 -1.6588 -1.6153 -1.6153 -1.5800 -1.5800 -1.0380 -1.0380 -0.8700 -0.8700 -0.8378 -0.8378 -0.2348 -0.2348 -0.0911 -0.0911 2.7879 2.7879 3.1029 3.1029 6.3965 6.3965 6.7638 6.7638 8.5877 8.5877 9.4845 9.4845 k = 0.2857-0.1083 0.3094 ( 6719 PWs) bands (ev): -23.6148 -23.6148 -21.7984 -21.7984 -21.7728 -21.7728 -21.6977 -21.6977 -20.9597 -20.9597 -20.8929 -20.8929 -19.1232 -19.1232 -14.3845 -14.3845 -9.0416 -9.0416 -7.4716 -7.4716 -5.5007 -5.5007 -5.4278 -5.4278 -5.3561 -5.3561 -5.2423 -5.2423 -4.8908 -4.8908 -4.8066 -4.8066 -3.3089 -3.3089 -3.2329 -3.2329 -3.1797 -3.1797 -2.7099 -2.7099 -2.5938 -2.5938 -1.8801 -1.8801 -1.7760 -1.7760 -1.7316 -1.7316 -1.6588 -1.6588 -1.6166 -1.6166 -1.5771 -1.5771 -1.0373 -1.0373 -0.8734 -0.8734 -0.8403 -0.8403 -0.2334 -0.2334 -0.0960 -0.0960 2.7986 2.7986 3.1051 3.1051 6.3959 6.3959 6.7541 6.7541 8.5853 8.5853 9.4352 9.4352 k = 0.2738-0.1038 0.2965 ( 6722 PWs) bands (ev): -23.6157 -23.6157 -21.7980 -21.7980 -21.7728 -21.7728 -21.6967 -21.6967 -20.9599 -20.9599 -20.8927 -20.8927 -19.1234 -19.1234 -14.3840 -14.3840 -9.0464 -9.0464 -7.4711 -7.4711 -5.4960 -5.4960 -5.4258 -5.4258 -5.3473 -5.3473 -5.2541 -5.2541 -4.8925 -4.8925 -4.8054 -4.8054 -3.3099 -3.3099 -3.2342 -3.2342 -3.1866 -3.1866 -2.7091 -2.7091 -2.5914 -2.5914 -1.8781 -1.8781 -1.7707 -1.7707 -1.7269 -1.7269 -1.6587 -1.6587 -1.6177 -1.6177 -1.5731 -1.5731 -1.0369 -1.0369 -0.8772 -0.8772 -0.8430 -0.8430 -0.2320 -0.2320 -0.1006 -0.1006 2.8096 2.8096 3.1076 3.1076 6.3936 6.3936 6.7441 6.7441 8.5825 8.5825 9.3891 9.3891 k = 0.2619-0.0992 0.2836 ( 6726 PWs) bands (ev): -23.6166 -23.6166 -21.7975 -21.7975 -21.7728 -21.7728 -21.6957 -21.6957 -20.9600 -20.9600 -20.8925 -20.8925 -19.1236 -19.1236 -14.3835 -14.3835 -9.0513 -9.0513 -7.4703 -7.4703 -5.4923 -5.4923 -5.4241 -5.4241 -5.3384 -5.3384 -5.2657 -5.2657 -4.8936 -4.8936 -4.8036 -4.8036 -3.3111 -3.3111 -3.2371 -3.2371 -3.1934 -3.1934 -2.7082 -2.7082 -2.5889 -2.5889 -1.8757 -1.8757 -1.7651 -1.7651 -1.7229 -1.7229 -1.6583 -1.6583 -1.6184 -1.6184 -1.5680 -1.5680 -1.0369 -1.0369 -0.8811 -0.8811 -0.8460 -0.8460 -0.2305 -0.2305 -0.1049 -0.1049 2.8208 2.8208 3.1105 3.1105 6.3891 6.3891 6.7341 6.7341 8.5795 8.5795 9.3466 9.3466 k = 0.2500-0.0947 0.2707 ( 6726 PWs) bands (ev): -23.6175 -23.6175 -21.7971 -21.7971 -21.7728 -21.7728 -21.6947 -21.6947 -20.9602 -20.9602 -20.8923 -20.8923 -19.1237 -19.1237 -14.3831 -14.3831 -9.0562 -9.0562 -7.4692 -7.4692 -5.4895 -5.4895 -5.4226 -5.4226 -5.3299 -5.3299 -5.2761 -5.2761 -4.8942 -4.8942 -4.8011 -4.8011 -3.3124 -3.3124 -3.2415 -3.2415 -3.2001 -3.2001 -2.7073 -2.7073 -2.5865 -2.5865 -1.8728 -1.8728 -1.7595 -1.7595 -1.7196 -1.7196 -1.6578 -1.6578 -1.6185 -1.6185 -1.5619 -1.5619 -1.0374 -1.0374 -0.8853 -0.8853 -0.8493 -0.8493 -0.2289 -0.2289 -0.1089 -0.1089 2.8322 2.8322 3.1138 3.1138 6.3822 6.3822 6.7246 6.7246 8.5762 8.5762 9.3080 9.3080 k = 0.2381-0.0902 0.2579 ( 6731 PWs) bands (ev): -23.6184 -23.6184 -21.7966 -21.7966 -21.7728 -21.7728 -21.6937 -21.6937 -20.9603 -20.9603 -20.8921 -20.8921 -19.1239 -19.1239 -14.3826 -14.3826 -9.0611 -9.0611 -7.4679 -7.4679 -5.4877 -5.4877 -5.4214 -5.4214 -5.3241 -5.3241 -5.2836 -5.2836 -4.8942 -4.8942 -4.7980 -4.7980 -3.3138 -3.3138 -3.2474 -3.2474 -3.2069 -3.2069 -2.7064 -2.7064 -2.5842 -2.5842 -1.8694 -1.8694 -1.7538 -1.7538 -1.7169 -1.7169 -1.6571 -1.6571 -1.6182 -1.6182 -1.5550 -1.5550 -1.0383 -1.0383 -0.8894 -0.8894 -0.8529 -0.8529 -0.2272 -0.2272 -0.1124 -0.1124 2.8436 2.8436 3.1174 3.1174 6.3724 6.3724 6.7159 6.7159 8.5727 8.5727 9.2732 9.2732 k = 0.2262-0.0857 0.2450 ( 6735 PWs) bands (ev): -23.6193 -23.6193 -21.7962 -21.7962 -21.7728 -21.7728 -21.6927 -21.6927 -20.9605 -20.9605 -20.8919 -20.8919 -19.1241 -19.1241 -14.3821 -14.3821 -9.0660 -9.0660 -7.4664 -7.4664 -5.4868 -5.4868 -5.4204 -5.4204 -5.3244 -5.3244 -5.2844 -5.2844 -4.8938 -4.8938 -4.7942 -4.7942 -3.3155 -3.3155 -3.2544 -3.2544 -3.2137 -3.2137 -2.7057 -2.7057 -2.5819 -2.5819 -1.8655 -1.8655 -1.7481 -1.7481 -1.7147 -1.7147 -1.6562 -1.6562 -1.6172 -1.6172 -1.5474 -1.5474 -1.0398 -1.0398 -0.8936 -0.8936 -0.8567 -0.8567 -0.2256 -0.2256 -0.1154 -0.1154 2.8552 2.8552 3.1215 3.1215 6.3595 6.3595 6.7083 6.7083 8.5689 8.5689 9.2425 9.2425 k = 0.2143-0.0812 0.2321 ( 6730 PWs) bands (ev): -23.6202 -23.6202 -21.7958 -21.7958 -21.7727 -21.7727 -21.6917 -21.6917 -20.9607 -20.9607 -20.8917 -20.8917 -19.1243 -19.1243 -14.3816 -14.3816 -9.0708 -9.0708 -7.4646 -7.4646 -5.4867 -5.4867 -5.4196 -5.4196 -5.3313 -5.3313 -5.2782 -5.2782 -4.8929 -4.8929 -4.7898 -4.7898 -3.3173 -3.3173 -3.2622 -3.2622 -3.2208 -3.2208 -2.7051 -2.7051 -2.5796 -2.5796 -1.8611 -1.8611 -1.7425 -1.7425 -1.7129 -1.7129 -1.6552 -1.6552 -1.6157 -1.6157 -1.5393 -1.5393 -1.0418 -1.0418 -0.8977 -0.8977 -0.8609 -0.8609 -0.2239 -0.2239 -0.1180 -0.1180 2.8666 2.8666 3.1259 3.1259 6.3434 6.3434 6.7022 6.7022 8.5649 8.5649 9.2157 9.2157 k = 0.2024-0.0767 0.2192 ( 6727 PWs) bands (ev): -23.6210 -23.6210 -21.7954 -21.7954 -21.7727 -21.7727 -21.6907 -21.6907 -20.9609 -20.9609 -20.8915 -20.8915 -19.1245 -19.1245 -14.3811 -14.3811 -9.0756 -9.0756 -7.4627 -7.4627 -5.4875 -5.4875 -5.4190 -5.4190 -5.3411 -5.3411 -5.2685 -5.2685 -4.8916 -4.8916 -4.7849 -4.7849 -3.3193 -3.3193 -3.2706 -3.2706 -3.2282 -3.2282 -2.7048 -2.7048 -2.5775 -2.5775 -1.8563 -1.8563 -1.7372 -1.7372 -1.7113 -1.7113 -1.6541 -1.6541 -1.6137 -1.6137 -1.5306 -1.5306 -1.0444 -1.0444 -0.9017 -0.9017 -0.8653 -0.8653 -0.2223 -0.2223 -0.1202 -0.1202 2.8780 2.8780 3.1307 3.1307 6.3241 6.3241 6.6976 6.6976 8.5607 8.5607 9.1929 9.1929 k = 0.1905-0.0722 0.2063 ( 6730 PWs) bands (ev): -23.6219 -23.6219 -21.7950 -21.7950 -21.7726 -21.7726 -21.6897 -21.6897 -20.9610 -20.9610 -20.8913 -20.8913 -19.1246 -19.1246 -14.3807 -14.3807 -9.0803 -9.0803 -7.4606 -7.4606 -5.4889 -5.4889 -5.4187 -5.4187 -5.3519 -5.3519 -5.2576 -5.2576 -4.8899 -4.8899 -4.7794 -4.7794 -3.3215 -3.3215 -3.2794 -3.2794 -3.2359 -3.2359 -2.7049 -2.7049 -2.5754 -2.5754 -1.8512 -1.8512 -1.7324 -1.7324 -1.7094 -1.7094 -1.6528 -1.6528 -1.6113 -1.6113 -1.5217 -1.5217 -1.0476 -1.0476 -0.9054 -0.9054 -0.8700 -0.8700 -0.2208 -0.2208 -0.1219 -0.1219 2.8892 2.8892 3.1359 3.1359 6.3020 6.3020 6.6944 6.6944 8.5564 8.5564 9.1737 9.1737 k = 0.1786-0.0677 0.1934 ( 6725 PWs) bands (ev): -23.6227 -23.6227 -21.7946 -21.7946 -21.7725 -21.7725 -21.6887 -21.6887 -20.9612 -20.9612 -20.8912 -20.8912 -19.1248 -19.1248 -14.3802 -14.3802 -9.0848 -9.0848 -7.4583 -7.4583 -5.4910 -5.4910 -5.4186 -5.4186 -5.3627 -5.3627 -5.2462 -5.2462 -4.8881 -4.8881 -4.7734 -4.7734 -3.3239 -3.3239 -3.2882 -3.2882 -3.2439 -3.2439 -2.7052 -2.7052 -2.5733 -2.5733 -1.8458 -1.8458 -1.7283 -1.7283 -1.7070 -1.7070 -1.6514 -1.6514 -1.6085 -1.6085 -1.5126 -1.5126 -1.0513 -1.0513 -0.9089 -0.9089 -0.8748 -0.8748 -0.2193 -0.2193 -0.1231 -0.1231 2.9001 2.9001 3.1415 3.1415 6.2774 6.2774 6.6928 6.6928 8.5519 8.5519 9.1581 9.1581 k = 0.1667-0.0632 0.1805 ( 6727 PWs) bands (ev): -23.6235 -23.6235 -21.7943 -21.7943 -21.7725 -21.7725 -21.6878 -21.6878 -20.9614 -20.9614 -20.8910 -20.8910 -19.1250 -19.1250 -14.3798 -14.3798 -9.0892 -9.0892 -7.4559 -7.4559 -5.4936 -5.4936 -5.4188 -5.4188 -5.3730 -5.3730 -5.2347 -5.2347 -4.8860 -4.8860 -4.7671 -4.7671 -3.3266 -3.3266 -3.2968 -3.2968 -3.2522 -3.2522 -2.7059 -2.7059 -2.5713 -2.5713 -1.8404 -1.8404 -1.7255 -1.7255 -1.7036 -1.7036 -1.6499 -1.6499 -1.6054 -1.6054 -1.5034 -1.5034 -1.0554 -1.0554 -0.9122 -0.9122 -0.8797 -0.8797 -0.2179 -0.2179 -0.1240 -0.1240 2.9107 2.9107 3.1474 3.1474 6.2507 6.2507 6.6923 6.6923 8.5474 8.5474 9.1458 9.1458 k = 0.1548-0.0586 0.1676 ( 6723 PWs) bands (ev): -23.6243 -23.6243 -21.7939 -21.7939 -21.7724 -21.7724 -21.6869 -21.6869 -20.9616 -20.9616 -20.8908 -20.8908 -19.1252 -19.1252 -14.3793 -14.3793 -9.0934 -9.0934 -7.4535 -7.4535 -5.4966 -5.4966 -5.4196 -5.4196 -5.3825 -5.3825 -5.2233 -5.2233 -4.8839 -4.8839 -4.7604 -4.7604 -3.3298 -3.3298 -3.3050 -3.3050 -3.2606 -3.2606 -2.7069 -2.7069 -2.5694 -2.5694 -1.8349 -1.8349 -1.7237 -1.7237 -1.6992 -1.6992 -1.6481 -1.6481 -1.6021 -1.6021 -1.4943 -1.4943 -1.0600 -1.0600 -0.9153 -0.9153 -0.8846 -0.8846 -0.2165 -0.2165 -0.1245 -0.1245 2.9208 2.9208 3.1535 3.1535 6.2226 6.2226 6.6929 6.6929 8.5427 8.5427 9.1365 9.1365 k = 0.1429-0.0541 0.1547 ( 6726 PWs) bands (ev): -23.6251 -23.6251 -21.7936 -21.7936 -21.7723 -21.7723 -21.6861 -21.6861 -20.9618 -20.9618 -20.8907 -20.8907 -19.1254 -19.1254 -14.3789 -14.3789 -9.0974 -9.0974 -7.4510 -7.4510 -5.5000 -5.5000 -5.4210 -5.4210 -5.3907 -5.3907 -5.2123 -5.2123 -4.8817 -4.8817 -4.7536 -4.7536 -3.3336 -3.3336 -3.3124 -3.3124 -3.2691 -3.2691 -2.7082 -2.7082 -2.5675 -2.5675 -1.8297 -1.8297 -1.7230 -1.7230 -1.6939 -1.6939 -1.6462 -1.6462 -1.5986 -1.5986 -1.4854 -1.4854 -1.0649 -1.0649 -0.9182 -0.9182 -0.8894 -0.8894 -0.2153 -0.2153 -0.1248 -0.1248 2.9305 2.9305 3.1599 3.1599 6.1936 6.1936 6.6943 6.6943 8.5381 8.5381 9.1298 9.1298 k = 0.1310-0.0496 0.1418 ( 6728 PWs) bands (ev): -23.6258 -23.6258 -21.7933 -21.7933 -21.7722 -21.7722 -21.6853 -21.6853 -20.9619 -20.9619 -20.8905 -20.8905 -19.1256 -19.1256 -14.3786 -14.3786 -9.1012 -9.1012 -7.4486 -7.4486 -5.5037 -5.5037 -5.4236 -5.4236 -5.3972 -5.3972 -5.2017 -5.2017 -4.8795 -4.8795 -4.7467 -4.7467 -3.3382 -3.3382 -3.3188 -3.3188 -3.2774 -3.2774 -2.7096 -2.7096 -2.5657 -2.5657 -1.8247 -1.8247 -1.7228 -1.7228 -1.6883 -1.6883 -1.6441 -1.6441 -1.5952 -1.5952 -1.4767 -1.4767 -1.0700 -1.0700 -0.9209 -0.9209 -0.8940 -0.8940 -0.2141 -0.2141 -0.1247 -0.1247 2.9396 2.9396 3.1664 3.1664 6.1644 6.1644 6.6962 6.6962 8.5336 8.5336 9.1255 9.1255 k = 0.1190-0.0451 0.1289 ( 6729 PWs) bands (ev): -23.6264 -23.6264 -21.7931 -21.7931 -21.7721 -21.7721 -21.6845 -21.6845 -20.9621 -20.9621 -20.8904 -20.8904 -19.1257 -19.1257 -14.3782 -14.3782 -9.1047 -9.1047 -7.4461 -7.4461 -5.5075 -5.5075 -5.4276 -5.4276 -5.4017 -5.4017 -5.1917 -5.1917 -4.8773 -4.8773 -4.7399 -4.7399 -3.3436 -3.3436 -3.3239 -3.3239 -3.2855 -3.2855 -2.7113 -2.7113 -2.5640 -2.5640 -1.8201 -1.8201 -1.7229 -1.7229 -1.6825 -1.6825 -1.6417 -1.6417 -1.5917 -1.5917 -1.4684 -1.4684 -1.0752 -1.0752 -0.9236 -0.9236 -0.8984 -0.8984 -0.2130 -0.2130 -0.1245 -0.1245 2.9480 2.9480 3.1730 3.1730 6.1354 6.1354 6.6986 6.6986 8.5291 8.5291 9.1231 9.1231 k = 0.1071-0.0406 0.1160 ( 6731 PWs) bands (ev): -23.6270 -23.6270 -21.7928 -21.7928 -21.7720 -21.7720 -21.6838 -21.6838 -20.9622 -20.9622 -20.8903 -20.8903 -19.1259 -19.1259 -14.3779 -14.3779 -9.1079 -9.1079 -7.4438 -7.4438 -5.5113 -5.5113 -5.4326 -5.4326 -5.4044 -5.4044 -5.1823 -5.1823 -4.8753 -4.8753 -4.7332 -4.7332 -3.3496 -3.3496 -3.3281 -3.3281 -3.2931 -3.2931 -2.7131 -2.7131 -2.5623 -2.5623 -1.8159 -1.8159 -1.7233 -1.7233 -1.6769 -1.6769 -1.6392 -1.6392 -1.5884 -1.5884 -1.4606 -1.4606 -1.0804 -1.0804 -0.9261 -0.9261 -0.9023 -0.9023 -0.2121 -0.2121 -0.1241 -0.1241 2.9558 2.9558 3.1796 3.1796 6.1074 6.1074 6.7012 6.7012 8.5248 8.5248 9.1224 9.1224 k = 0.0952-0.0361 0.1031 ( 6733 PWs) bands (ev): -23.6276 -23.6276 -21.7926 -21.7926 -21.7719 -21.7719 -21.6832 -21.6832 -20.9624 -20.9624 -20.8902 -20.8902 -19.1260 -19.1260 -14.3776 -14.3776 -9.1109 -9.1109 -7.4416 -7.4416 -5.5151 -5.5151 -5.4380 -5.4380 -5.4059 -5.4059 -5.1737 -5.1737 -4.8734 -4.8734 -4.7268 -4.7268 -3.3557 -3.3557 -3.3317 -3.3317 -3.3001 -3.3001 -2.7149 -2.7149 -2.5608 -2.5608 -1.8121 -1.8121 -1.7238 -1.7238 -1.6716 -1.6716 -1.6366 -1.6366 -1.5852 -1.5852 -1.4533 -1.4533 -1.0854 -1.0854 -0.9287 -0.9287 -0.9058 -0.9058 -0.2112 -0.2112 -0.1237 -0.1237 2.9628 2.9628 3.1859 3.1859 6.0808 6.0808 6.7039 6.7039 8.5208 8.5208 9.1229 9.1229 k = 0.0833-0.0316 0.0902 ( 6731 PWs) bands (ev): -23.6281 -23.6281 -21.7924 -21.7924 -21.7718 -21.7718 -21.6826 -21.6826 -20.9625 -20.9625 -20.8901 -20.8901 -19.1261 -19.1261 -14.3774 -14.3774 -9.1135 -9.1135 -7.4395 -7.4395 -5.5187 -5.5187 -5.4433 -5.4433 -5.4068 -5.4068 -5.1658 -5.1658 -4.8716 -4.8716 -4.7209 -4.7209 -3.3616 -3.3616 -3.3348 -3.3348 -3.3064 -3.3064 -2.7167 -2.7167 -2.5594 -2.5594 -1.8087 -1.8087 -1.7243 -1.7243 -1.6668 -1.6668 -1.6337 -1.6337 -1.5822 -1.5822 -1.4467 -1.4467 -1.0902 -1.0902 -0.9312 -0.9312 -0.9088 -0.9088 -0.2104 -0.2104 -0.1232 -0.1232 2.9690 2.9690 3.1920 3.1920 6.0560 6.0560 6.7065 6.7065 8.5170 8.5170 9.1243 9.1243 k = 0.0714-0.0271 0.0774 ( 6730 PWs) bands (ev): -23.6285 -23.6285 -21.7922 -21.7922 -21.7718 -21.7718 -21.6821 -21.6821 -20.9626 -20.9626 -20.8900 -20.8900 -19.1263 -19.1263 -14.3771 -14.3771 -9.1158 -9.1158 -7.4377 -7.4377 -5.5221 -5.5221 -5.4481 -5.4481 -5.4073 -5.4073 -5.1589 -5.1589 -4.8700 -4.8700 -4.7155 -4.7155 -3.3670 -3.3670 -3.3378 -3.3378 -3.3118 -3.3118 -2.7183 -2.7183 -2.5582 -2.5582 -1.8059 -1.8059 -1.7248 -1.7248 -1.6626 -1.6626 -1.6308 -1.6308 -1.5795 -1.5795 -1.4408 -1.4408 -1.0947 -1.0947 -0.9337 -0.9337 -0.9113 -0.9113 -0.2097 -0.2097 -0.1226 -0.1226 2.9745 2.9745 3.1976 3.1976 6.0336 6.0336 6.7090 6.7090 8.5136 8.5136 9.1263 9.1263 k = 0.0595-0.0226 0.0645 ( 6735 PWs) bands (ev): -23.6289 -23.6289 -21.7921 -21.7921 -21.7717 -21.7717 -21.6817 -21.6817 -20.9627 -20.9627 -20.8900 -20.8900 -19.1264 -19.1264 -14.3769 -14.3769 -9.1178 -9.1178 -7.4361 -7.4361 -5.5251 -5.5251 -5.4523 -5.4523 -5.4075 -5.4075 -5.1529 -5.1529 -4.8687 -4.8687 -4.7107 -4.7107 -3.3718 -3.3718 -3.3405 -3.3405 -3.3162 -3.3162 -2.7199 -2.7199 -2.5571 -2.5571 -1.8035 -1.8035 -1.7253 -1.7253 -1.6592 -1.6592 -1.6280 -1.6280 -1.5771 -1.5771 -1.4356 -1.4356 -1.0986 -1.0986 -0.9359 -0.9359 -0.9133 -0.9133 -0.2091 -0.2091 -0.1221 -0.1221 2.9791 2.9791 3.2027 3.2027 6.0139 6.0139 6.7112 6.7112 8.5106 8.5106 9.1285 9.1285 k = 0.0476-0.0180 0.0516 ( 6733 PWs) bands (ev): -23.6292 -23.6292 -21.7920 -21.7920 -21.7716 -21.7716 -21.6813 -21.6813 -20.9628 -20.9628 -20.8899 -20.8899 -19.1264 -19.1264 -14.3768 -14.3768 -9.1195 -9.1195 -7.4347 -7.4347 -5.5277 -5.5277 -5.4559 -5.4559 -5.4077 -5.4077 -5.1479 -5.1479 -4.8675 -4.8675 -4.7066 -4.7066 -3.3759 -3.3759 -3.3431 -3.3431 -3.3197 -3.3197 -2.7212 -2.7212 -2.5563 -2.5563 -1.8015 -1.8015 -1.7257 -1.7257 -1.6564 -1.6564 -1.6254 -1.6254 -1.5750 -1.5750 -1.4313 -1.4313 -1.1020 -1.1020 -0.9380 -0.9380 -0.9148 -0.9148 -0.2086 -0.2086 -0.1217 -0.1217 2.9829 2.9829 3.2070 3.2070 5.9973 5.9973 6.7132 6.7132 8.5081 8.5081 9.1308 9.1308 k = 0.0357-0.0135 0.0387 ( 6722 PWs) bands (ev): -23.6294 -23.6294 -21.7919 -21.7919 -21.7716 -21.7716 -21.6810 -21.6810 -20.9628 -20.9628 -20.8898 -20.8898 -19.1265 -19.1265 -14.3766 -14.3766 -9.1208 -9.1208 -7.4336 -7.4336 -5.5298 -5.5298 -5.4586 -5.4586 -5.4078 -5.4078 -5.1440 -5.1440 -4.8666 -4.8666 -4.7034 -4.7034 -3.3791 -3.3791 -3.3452 -3.3452 -3.3222 -3.3222 -2.7223 -2.7223 -2.5555 -2.5555 -1.8000 -1.8000 -1.7260 -1.7260 -1.6543 -1.6543 -1.6231 -1.6231 -1.5734 -1.5734 -1.4279 -1.4279 -1.1048 -1.1048 -0.9397 -0.9397 -0.9159 -0.9159 -0.2082 -0.2082 -0.1213 -0.1213 2.9858 2.9858 3.2105 3.2105 5.9841 5.9841 6.7147 6.7147 8.5061 8.5061 9.1328 9.1328 k = 0.0238-0.0090 0.0258 ( 6718 PWs) bands (ev): -23.6296 -23.6296 -21.7918 -21.7918 -21.7715 -21.7715 -21.6808 -21.6808 -20.9629 -20.9629 -20.8898 -20.8898 -19.1266 -19.1266 -14.3765 -14.3765 -9.1217 -9.1217 -7.4328 -7.4328 -5.5314 -5.5314 -5.4606 -5.4606 -5.4078 -5.4078 -5.1412 -5.1412 -4.8660 -4.8660 -4.7010 -4.7010 -3.3815 -3.3815 -3.3469 -3.3469 -3.3240 -3.3240 -2.7230 -2.7230 -2.5550 -2.5550 -1.7990 -1.7990 -1.7263 -1.7263 -1.6528 -1.6528 -1.6214 -1.6214 -1.5722 -1.5722 -1.4254 -1.4254 -1.1068 -1.1068 -0.9409 -0.9409 -0.9167 -0.9167 -0.2079 -0.2079 -0.1210 -0.1210 2.9880 2.9880 3.2131 3.2131 5.9745 5.9745 6.7159 6.7159 8.5047 8.5047 9.1344 9.1344 k = 0.0119-0.0045 0.0129 ( 6710 PWs) bands (ev): -23.6297 -23.6297 -21.7918 -21.7918 -21.7715 -21.7715 -21.6807 -21.6807 -20.9629 -20.9629 -20.8898 -20.8898 -19.1266 -19.1266 -14.3765 -14.3765 -9.1222 -9.1222 -7.4323 -7.4323 -5.5323 -5.5323 -5.4618 -5.4618 -5.4078 -5.4078 -5.1395 -5.1395 -4.8656 -4.8656 -4.6996 -4.6996 -3.3829 -3.3829 -3.3480 -3.3480 -3.3250 -3.3250 -2.7235 -2.7235 -2.5547 -2.5547 -1.7983 -1.7983 -1.7265 -1.7265 -1.6520 -1.6520 -1.6203 -1.6203 -1.5715 -1.5715 -1.4239 -1.4239 -1.1080 -1.1080 -0.9417 -0.9417 -0.9171 -0.9171 -0.2077 -0.2077 -0.1209 -0.1209 2.9892 2.9892 3.2147 3.2147 5.9686 5.9686 6.7166 6.7166 8.5038 8.5038 9.1354 9.1354 k = 0.0000 0.0000 0.0000 ( 6711 PWs) bands (ev): -23.6297 -23.6297 -21.7918 -21.7918 -21.7715 -21.7715 -21.6806 -21.6806 -20.9629 -20.9629 -20.8898 -20.8898 -19.1266 -19.1266 -14.3765 -14.3765 -9.1224 -9.1224 -7.4322 -7.4322 -5.5326 -5.5326 -5.4622 -5.4622 -5.4078 -5.4078 -5.1389 -5.1389 -4.8654 -4.8654 -4.6991 -4.6991 -3.3834 -3.3834 -3.3483 -3.3483 -3.3253 -3.3253 -2.7237 -2.7237 -2.5546 -2.5546 -1.7981 -1.7981 -1.7265 -1.7265 -1.6517 -1.6517 -1.6199 -1.6199 -1.5713 -1.5713 -1.4234 -1.4234 -1.1084 -1.1084 -0.9420 -0.9420 -0.9173 -0.9173 -0.2077 -0.2077 -0.1208 -0.1208 2.9897 2.9897 3.2152 3.2152 5.9667 5.9667 6.7168 6.7168 8.5035 8.5035 9.1357 9.1357 Writing output data file AsS2NF6.save init_run : 0.48s CPU 0.62s WALL ( 1 calls) electrons : 262.01s CPU 265.06s 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 : 262.00s CPU 265.05s 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 : 0.07s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.12s WALL ( 274 calls) cegterg : 240.65s CPU 242.97s WALL ( 398 calls) Called by sum_band: Called by *egterg: h_psi : 143.01s CPU 144.52s WALL ( 6380 calls) s_psi : 7.52s CPU 7.64s WALL ( 6380 calls) g_psi : 0.38s CPU 0.41s WALL ( 5708 calls) cdiaghg : 72.45s CPU 73.45s WALL ( 5982 calls) cegterg:over : 12.72s CPU 12.60s WALL ( 5708 calls) cegterg:upda : 10.76s CPU 10.75s WALL ( 5708 calls) cegterg:last : 5.70s CPU 5.67s WALL ( 946 calls) cdiaghg:chol : 4.34s CPU 4.25s WALL ( 5982 calls) cdiaghg:inve : 3.08s CPU 3.04s WALL ( 5982 calls) cdiaghg:para : 5.11s CPU 5.22s WALL ( 11964 calls) Called by h_psi: h_psi:vloc : 124.44s CPU 125.79s WALL ( 6380 calls) h_psi:vnl : 18.03s CPU 18.23s WALL ( 6380 calls) add_vuspsi : 8.78s CPU 8.89s WALL ( 6380 calls) General routines calbec : 9.22s CPU 9.31s WALL ( 6380 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 116.97s CPU 118.40s WALL ( 888416 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.40s WALL ( 548 calls) Parallel routines fft_scatter : 38.52s CPU 39.53s WALL ( 888439 calls) PWSCF : 4m47.75s CPU 5m 6.00s WALL This run was terminated on: 13:13:55 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=