Program PWSCF v.5.1.1 starts on 23Oct2015 at 21: 7:35 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./Ag2HgI4.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 139 72 19 5086 1893 275 Max 140 73 20 5089 1909 279 Sum 6675 3469 957 244157 91247 13321 bravais-lattice index = 14 lattice parameter (alat) = 14.6195 a.u. unit-cell volume = 1700.9626 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.619497 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.666631 celldm(5)= -0.666631 celldm(6)= 0.333263 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.333263 0.942834 0.000000 ) a(3) = ( -0.666631 -0.471417 0.577381 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.353469 0.865980 ) b(2) = ( 0.000000 1.060632 0.865980 ) b(3) = ( 0.000000 0.000000 1.731959 ) PseudoPot. # 1 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) I 7.00 126.90450 I( 1.00) Ag 11.00 107.86820 Ag( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 246 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 2) = ( 0.0000000 0.0000000 0.0240550), wk = 0.0040650 k( 3) = ( 0.0000000 0.0000000 0.0481100), wk = 0.0040650 k( 4) = ( 0.0000000 0.0000000 0.0721650), wk = 0.0040650 k( 5) = ( 0.0000000 0.0000000 0.0962200), wk = 0.0040650 k( 6) = ( 0.0000000 0.0000000 0.1202750), wk = 0.0040650 k( 7) = ( 0.0000000 0.0000000 0.1443299), wk = 0.0040650 k( 8) = ( 0.0000000 0.0000000 0.1683849), wk = 0.0040650 k( 9) = ( 0.0000000 0.0000000 0.1924399), wk = 0.0040650 k( 10) = ( 0.0000000 0.0000000 0.2164949), wk = 0.0040650 k( 11) = ( 0.0000000 0.0000000 0.2405499), wk = 0.0040650 k( 12) = ( 0.0000000 0.0000000 0.2646049), wk = 0.0040650 k( 13) = ( 0.0000000 0.0000000 0.2886599), wk = 0.0040650 k( 14) = ( 0.0000000 0.0000000 0.3127149), wk = 0.0040650 k( 15) = ( 0.0000000 0.0000000 0.3367699), wk = 0.0040650 k( 16) = ( 0.0000000 0.0000000 0.3608249), wk = 0.0040650 k( 17) = ( 0.0000000 0.0000000 0.3848799), wk = 0.0040650 k( 18) = ( 0.0000000 0.0000000 0.4089349), wk = 0.0040650 k( 19) = ( 0.0000000 0.0000000 0.4329899), wk = 0.0040650 k( 20) = ( 0.0000000 0.0000000 0.4570448), wk = 0.0040650 k( 21) = ( 0.0000000 0.0000000 0.4810998), wk = 0.0040650 k( 22) = ( 0.0000000 0.0000000 0.5051548), wk = 0.0040650 k( 23) = ( 0.0000000 0.0000000 0.5292098), wk = 0.0040650 k( 24) = ( 0.0000000 0.0000000 0.5532648), wk = 0.0040650 k( 25) = ( 0.0000000 0.0000000 0.5773198), wk = 0.0040650 k( 26) = ( 0.0000000 0.0000000 0.6013748), wk = 0.0040650 k( 27) = ( 0.0000000 0.0000000 0.6254298), wk = 0.0040650 k( 28) = ( 0.0000000 0.0000000 0.6494848), wk = 0.0040650 k( 29) = ( 0.0000000 0.0000000 0.6735398), wk = 0.0040650 k( 30) = ( 0.0000000 0.0000000 0.6975948), wk = 0.0040650 k( 31) = ( 0.0000000 0.0000000 0.7216498), wk = 0.0040650 k( 32) = ( 0.0000000 0.0000000 0.7457048), wk = 0.0040650 k( 33) = ( 0.0000000 0.0000000 0.7697597), wk = 0.0040650 k( 34) = ( 0.0000000 0.0000000 0.7938147), wk = 0.0040650 k( 35) = ( 0.0000000 0.0000000 0.8178697), wk = 0.0040650 k( 36) = ( 0.0000000 0.0000000 0.8419247), wk = 0.0040650 k( 37) = ( 0.0000000 0.0000000 0.8659797), wk = 0.0040650 k( 38) = ( 0.0000000 0.0000000 0.8659797), wk = 0.0040650 k( 39) = ( -0.0138911 0.0196434 0.8659797), wk = 0.0040650 k( 40) = ( -0.0277822 0.0392868 0.8659797), wk = 0.0040650 k( 41) = ( -0.0416733 0.0589302 0.8659797), wk = 0.0040650 k( 42) = ( -0.0555643 0.0785736 0.8659797), wk = 0.0040650 k( 43) = ( -0.0694554 0.0982171 0.8659797), wk = 0.0040650 k( 44) = ( -0.0833465 0.1178605 0.8659797), wk = 0.0040650 k( 45) = ( -0.0972376 0.1375039 0.8659797), wk = 0.0040650 k( 46) = ( -0.1111287 0.1571473 0.8659797), wk = 0.0040650 k( 47) = ( -0.1250198 0.1767907 0.8659797), wk = 0.0040650 k( 48) = ( -0.1250198 0.1767907 0.8659797), wk = 0.0040650 k( 49) = ( -0.1348877 0.1907449 0.8488889), wk = 0.0040650 k( 50) = ( -0.1447556 0.2046991 0.8317981), wk = 0.0040650 k( 51) = ( -0.1546235 0.2186533 0.8147073), wk = 0.0040650 k( 52) = ( -0.1644914 0.2326075 0.7976165), wk = 0.0040650 k( 53) = ( -0.1743593 0.2465618 0.7805257), wk = 0.0040650 k( 54) = ( -0.1842272 0.2605160 0.7634349), wk = 0.0040650 k( 55) = ( -0.1940951 0.2744702 0.7463441), wk = 0.0040650 k( 56) = ( -0.2039630 0.2884244 0.7292533), wk = 0.0040650 k( 57) = ( -0.2138309 0.3023786 0.7121625), wk = 0.0040650 k( 58) = ( -0.2236988 0.3163328 0.6950717), wk = 0.0040650 k( 59) = ( -0.2335667 0.3302870 0.6779809), wk = 0.0040650 k( 60) = ( -0.2434346 0.3442412 0.6608901), wk = 0.0040650 k( 61) = ( -0.2533025 0.3581955 0.6437993), wk = 0.0040650 k( 62) = ( -0.2631704 0.3721497 0.6267085), wk = 0.0040650 k( 63) = ( -0.2730383 0.3861039 0.6096177), wk = 0.0040650 k( 64) = ( -0.2829062 0.4000581 0.5925269), wk = 0.0040650 k( 65) = ( -0.2927741 0.4140123 0.5754361), wk = 0.0040650 k( 66) = ( -0.3026420 0.4279665 0.5583453), wk = 0.0040650 k( 67) = ( -0.3125099 0.4419208 0.5412545), wk = 0.0040650 k( 68) = ( -0.3125099 0.4419208 0.5412545), wk = 0.0040650 k( 69) = ( -0.3027440 0.4281107 0.5243403), wk = 0.0040650 k( 70) = ( -0.2929780 0.4143007 0.5074261), wk = 0.0040650 k( 71) = ( -0.2832121 0.4004907 0.4905118), wk = 0.0040650 k( 72) = ( -0.2734462 0.3866807 0.4735977), wk = 0.0040650 k( 73) = ( -0.2636802 0.3728706 0.4566834), wk = 0.0040650 k( 74) = ( -0.2539143 0.3590606 0.4397692), wk = 0.0040650 k( 75) = ( -0.2441484 0.3452506 0.4228551), wk = 0.0040650 k( 76) = ( -0.2343824 0.3314406 0.4059408), wk = 0.0040650 k( 77) = ( -0.2246165 0.3176305 0.3890266), wk = 0.0040650 k( 78) = ( -0.2148506 0.3038205 0.3721124), wk = 0.0040650 k( 79) = ( -0.2050846 0.2900105 0.3551982), wk = 0.0040650 k( 80) = ( -0.1953187 0.2762005 0.3382840), wk = 0.0040650 k( 81) = ( -0.1855527 0.2623904 0.3213698), wk = 0.0040650 k( 82) = ( -0.1757868 0.2485804 0.3044556), wk = 0.0040650 k( 83) = ( -0.1660209 0.2347704 0.2875414), wk = 0.0040650 k( 84) = ( -0.1562550 0.2209604 0.2706272), wk = 0.0040650 k( 85) = ( -0.1464890 0.2071503 0.2537130), wk = 0.0040650 k( 86) = ( -0.1367231 0.1933403 0.2367988), wk = 0.0040650 k( 87) = ( -0.1269571 0.1795303 0.2198846), wk = 0.0040650 k( 88) = ( -0.1171912 0.1657203 0.2029704), wk = 0.0040650 k( 89) = ( -0.1074253 0.1519103 0.1860562), wk = 0.0040650 k( 90) = ( -0.0976593 0.1381002 0.1691420), wk = 0.0040650 k( 91) = ( -0.0878934 0.1242902 0.1522278), wk = 0.0040650 k( 92) = ( -0.0781275 0.1104802 0.1353136), wk = 0.0040650 k( 93) = ( -0.0683615 0.0966702 0.1183994), wk = 0.0040650 k( 94) = ( -0.0585956 0.0828601 0.1014852), wk = 0.0040650 k( 95) = ( -0.0488297 0.0690501 0.0845710), wk = 0.0040650 k( 96) = ( -0.0390637 0.0552401 0.0676568), wk = 0.0040650 k( 97) = ( -0.0292978 0.0414301 0.0507426), wk = 0.0040650 k( 98) = ( -0.0195319 0.0276200 0.0338284), wk = 0.0040650 k( 99) = ( -0.0097659 0.0138100 0.0169142), wk = 0.0040650 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 102) = ( 0.0200000 0.0141433 -0.0000000), wk = 0.0040650 k( 103) = ( 0.0400000 0.0282865 -0.0000000), wk = 0.0040650 k( 104) = ( 0.0600000 0.0424298 -0.0000000), wk = 0.0040650 k( 105) = ( 0.0800000 0.0565730 -0.0000000), wk = 0.0040650 k( 106) = ( 0.1000000 0.0707163 -0.0000000), wk = 0.0040650 k( 107) = ( 0.1200000 0.0848595 -0.0000000), wk = 0.0040650 k( 108) = ( 0.1400000 0.0990028 -0.0000000), wk = 0.0040650 k( 109) = ( 0.1600000 0.1131460 -0.0000000), wk = 0.0040650 k( 110) = ( 0.1800000 0.1272893 -0.0000000), wk = 0.0040650 k( 111) = ( 0.2000000 0.1414326 -0.0000000), wk = 0.0040650 k( 112) = ( 0.2200000 0.1555758 -0.0000000), wk = 0.0040650 k( 113) = ( 0.2400000 0.1697191 -0.0000000), wk = 0.0040650 k( 114) = ( 0.2600000 0.1838623 -0.0000000), wk = 0.0040650 k( 115) = ( 0.2800000 0.1980056 -0.0000000), wk = 0.0040650 k( 116) = ( 0.3000000 0.2121488 -0.0000000), wk = 0.0040650 k( 117) = ( 0.3200000 0.2262921 -0.0000000), wk = 0.0040650 k( 118) = ( 0.3400000 0.2404353 -0.0000000), wk = 0.0040650 k( 119) = ( 0.3600000 0.2545786 -0.0000000), wk = 0.0040650 k( 120) = ( 0.3800000 0.2687218 -0.0000000), wk = 0.0040650 k( 121) = ( 0.4000000 0.2828651 -0.0000000), wk = 0.0040650 k( 122) = ( 0.4200000 0.2970084 -0.0000000), wk = 0.0040650 k( 123) = ( 0.4400000 0.3111516 -0.0000000), wk = 0.0040650 k( 124) = ( 0.4600000 0.3252949 -0.0000000), wk = 0.0040650 k( 125) = ( 0.4800000 0.3394381 -0.0000000), wk = 0.0040650 k( 126) = ( 0.5000000 0.3535814 -0.0000000), wk = 0.0040650 k( 127) = ( 0.5000000 0.3535814 -0.0000000), wk = 0.0040650 k( 128) = ( 0.4901321 0.3675356 0.0170908), wk = 0.0040650 k( 129) = ( 0.4802642 0.3814898 0.0341816), wk = 0.0040650 k( 130) = ( 0.4703963 0.3954440 0.0512724), wk = 0.0040650 k( 131) = ( 0.4605284 0.4093982 0.0683632), wk = 0.0040650 k( 132) = ( 0.4506605 0.4233524 0.0854540), wk = 0.0040650 k( 133) = ( 0.4407926 0.4373067 0.1025448), wk = 0.0040650 k( 134) = ( 0.4309247 0.4512609 0.1196356), wk = 0.0040650 k( 135) = ( 0.4210568 0.4652151 0.1367264), wk = 0.0040650 k( 136) = ( 0.4111889 0.4791693 0.1538172), wk = 0.0040650 k( 137) = ( 0.4013210 0.4931235 0.1709080), wk = 0.0040650 k( 138) = ( 0.3914531 0.5070777 0.1879988), wk = 0.0040650 k( 139) = ( 0.3815852 0.5210319 0.2050896), wk = 0.0040650 k( 140) = ( 0.3717173 0.5349862 0.2221804), wk = 0.0040650 k( 141) = ( 0.3618494 0.5489404 0.2392712), wk = 0.0040650 k( 142) = ( 0.3519815 0.5628946 0.2563620), wk = 0.0040650 k( 143) = ( 0.3421136 0.5768488 0.2734528), wk = 0.0040650 k( 144) = ( 0.3322457 0.5908030 0.2905436), wk = 0.0040650 k( 145) = ( 0.3223778 0.6047572 0.3076344), wk = 0.0040650 k( 146) = ( 0.3125099 0.6187114 0.3247252), wk = 0.0040650 k( 147) = ( 0.3125099 0.6187114 0.3247252), wk = 0.0040650 k( 148) = ( 0.2901878 0.6123975 0.3324584), wk = 0.0040650 k( 149) = ( 0.2678656 0.6060835 0.3401916), wk = 0.0040650 k( 150) = ( 0.2455435 0.5997696 0.3479248), wk = 0.0040650 k( 151) = ( 0.2232214 0.5934556 0.3556580), wk = 0.0040650 k( 152) = ( 0.2008992 0.5871417 0.3633912), wk = 0.0040650 k( 153) = ( 0.1785771 0.5808277 0.3711244), wk = 0.0040650 k( 154) = ( 0.1562550 0.5745138 0.3788575), wk = 0.0040650 k( 155) = ( 0.1339328 0.5681998 0.3865907), wk = 0.0040650 k( 156) = ( 0.1116107 0.5618859 0.3943239), wk = 0.0040650 k( 157) = ( 0.0892885 0.5555719 0.4020571), wk = 0.0040650 k( 158) = ( 0.0669664 0.5492580 0.4097903), wk = 0.0040650 k( 159) = ( 0.0446443 0.5429440 0.4175235), wk = 0.0040650 k( 160) = ( 0.0223221 0.5366300 0.4252567), wk = 0.0040650 k( 161) = ( 0.0000000 0.5303161 0.4329899), wk = 0.0040650 k( 162) = ( 0.0000000 0.5303161 0.4329899), wk = 0.0040650 k( 163) = ( 0.0100000 0.5161751 0.4503094), wk = 0.0040650 k( 164) = ( 0.0200000 0.5020341 0.4676290), wk = 0.0040650 k( 165) = ( 0.0300000 0.4878930 0.4849486), wk = 0.0040650 k( 166) = ( 0.0400000 0.4737520 0.5022682), wk = 0.0040650 k( 167) = ( 0.0500000 0.4596110 0.5195878), wk = 0.0040650 k( 168) = ( 0.0600000 0.4454700 0.5369074), wk = 0.0040650 k( 169) = ( 0.0700000 0.4313290 0.5542270), wk = 0.0040650 k( 170) = ( 0.0800000 0.4171880 0.5715466), wk = 0.0040650 k( 171) = ( 0.0900000 0.4030469 0.5888662), wk = 0.0040650 k( 172) = ( 0.1000000 0.3889059 0.6061858), wk = 0.0040650 k( 173) = ( 0.1100000 0.3747649 0.6235054), wk = 0.0040650 k( 174) = ( 0.1200000 0.3606239 0.6408250), wk = 0.0040650 k( 175) = ( 0.1300000 0.3464829 0.6581446), wk = 0.0040650 k( 176) = ( 0.1400000 0.3323419 0.6754642), wk = 0.0040650 k( 177) = ( 0.1500000 0.3182009 0.6927838), wk = 0.0040650 k( 178) = ( 0.1600000 0.3040598 0.7101034), wk = 0.0040650 k( 179) = ( 0.1700000 0.2899188 0.7274230), wk = 0.0040650 k( 180) = ( 0.1800000 0.2757778 0.7447425), wk = 0.0040650 k( 181) = ( 0.1900000 0.2616368 0.7620621), wk = 0.0040650 k( 182) = ( 0.2000000 0.2474958 0.7793817), wk = 0.0040650 k( 183) = ( 0.2100000 0.2333548 0.7967013), wk = 0.0040650 k( 184) = ( 0.2200000 0.2192137 0.8140209), wk = 0.0040650 k( 185) = ( 0.2300000 0.2050727 0.8313405), wk = 0.0040650 k( 186) = ( 0.2400000 0.1909317 0.8486601), wk = 0.0040650 k( 187) = ( 0.2500000 0.1767907 0.8659797), wk = 0.0040650 k( 188) = ( 0.2500000 0.1767907 0.8659797), wk = 0.0040650 k( 189) = ( 0.2656250 0.1878401 0.8524466), wk = 0.0040650 k( 190) = ( 0.2812500 0.1988895 0.8389136), wk = 0.0040650 k( 191) = ( 0.2968750 0.2099389 0.8253805), wk = 0.0040650 k( 192) = ( 0.3125000 0.2209884 0.8118474), wk = 0.0040650 k( 193) = ( 0.3281250 0.2320378 0.7983143), wk = 0.0040650 k( 194) = ( 0.3437500 0.2430872 0.7847813), wk = 0.0040650 k( 195) = ( 0.3593750 0.2541366 0.7712482), wk = 0.0040650 k( 196) = ( 0.3750000 0.2651860 0.7577151), wk = 0.0040650 k( 197) = ( 0.3906250 0.2762355 0.7441820), wk = 0.0040650 k( 198) = ( 0.4062500 0.2872849 0.7306490), wk = 0.0040650 k( 199) = ( 0.4218750 0.2983343 0.7171159), wk = 0.0040650 k( 200) = ( 0.4375000 0.3093837 0.7035828), wk = 0.0040650 k( 201) = ( 0.4531250 0.3204331 0.6900497), wk = 0.0040650 k( 202) = ( 0.4687500 0.3314825 0.6765166), wk = 0.0040650 k( 203) = ( 0.4843750 0.3425320 0.6629836), wk = 0.0040650 k( 204) = ( 0.5000000 0.3535814 0.6494505), wk = 0.0040650 k( 205) = ( 0.5000000 0.3535814 0.6494505), wk = 0.0040650 k( 206) = ( 0.5000000 0.3535814 0.6253968), wk = 0.0040650 k( 207) = ( 0.5000000 0.3535814 0.6013431), wk = 0.0040650 k( 208) = ( 0.5000000 0.3535814 0.5772893), wk = 0.0040650 k( 209) = ( 0.5000000 0.3535814 0.5532356), wk = 0.0040650 k( 210) = ( 0.5000000 0.3535814 0.5291819), wk = 0.0040650 k( 211) = ( 0.5000000 0.3535814 0.5051282), wk = 0.0040650 k( 212) = ( 0.5000000 0.3535814 0.4810745), wk = 0.0040650 k( 213) = ( 0.5000000 0.3535814 0.4570207), wk = 0.0040650 k( 214) = ( 0.5000000 0.3535814 0.4329670), wk = 0.0040650 k( 215) = ( 0.5000000 0.3535814 0.4089133), wk = 0.0040650 k( 216) = ( 0.5000000 0.3535814 0.3848595), wk = 0.0040650 k( 217) = ( 0.5000000 0.3535814 0.3608058), wk = 0.0040650 k( 218) = ( 0.5000000 0.3535814 0.3367521), wk = 0.0040650 k( 219) = ( 0.5000000 0.3535814 0.3126984), wk = 0.0040650 k( 220) = ( 0.5000000 0.3535814 0.2886447), wk = 0.0040650 k( 221) = ( 0.5000000 0.3535814 0.2645910), wk = 0.0040650 k( 222) = ( 0.5000000 0.3535814 0.2405372), wk = 0.0040650 k( 223) = ( 0.5000000 0.3535814 0.2164835), wk = 0.0040650 k( 224) = ( 0.5000000 0.3535814 0.1924298), wk = 0.0040650 k( 225) = ( 0.5000000 0.3535814 0.1683761), wk = 0.0040650 k( 226) = ( 0.5000000 0.3535814 0.1443223), wk = 0.0040650 k( 227) = ( 0.5000000 0.3535814 0.1202686), wk = 0.0040650 k( 228) = ( 0.5000000 0.3535814 0.0962149), wk = 0.0040650 k( 229) = ( 0.5000000 0.3535814 0.0721612), wk = 0.0040650 k( 230) = ( 0.5000000 0.3535814 0.0481074), wk = 0.0040650 k( 231) = ( 0.5000000 0.3535814 0.0240537), wk = 0.0040650 k( 232) = ( 0.5000000 0.3535814 -0.0000000), wk = 0.0040650 k( 233) = ( 0.0000000 0.0000000 0.8659797), wk = 0.0040650 k( 234) = ( 0.0192308 0.0135993 0.8659797), wk = 0.0040650 k( 235) = ( 0.0384615 0.0271986 0.8659797), wk = 0.0040650 k( 236) = ( 0.0576923 0.0407979 0.8659797), wk = 0.0040650 k( 237) = ( 0.0769231 0.0543971 0.8659797), wk = 0.0040650 k( 238) = ( 0.0961538 0.0679964 0.8659797), wk = 0.0040650 k( 239) = ( 0.1153846 0.0815957 0.8659797), wk = 0.0040650 k( 240) = ( 0.1346154 0.0951950 0.8659797), wk = 0.0040650 k( 241) = ( 0.1538461 0.1087943 0.8659797), wk = 0.0040650 k( 242) = ( 0.1730769 0.1223936 0.8659797), wk = 0.0040650 k( 243) = ( 0.1923077 0.1359928 0.8659797), wk = 0.0040650 k( 244) = ( 0.2115385 0.1495921 0.8659797), wk = 0.0040650 k( 245) = ( 0.2307692 0.1631914 0.8659797), wk = 0.0040650 k( 246) = ( 0.2500000 0.1767907 0.8659797), wk = 0.0040650 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 2) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0040650 k( 3) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0040650 k( 4) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0040650 k( 5) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0040650 k( 6) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0040650 k( 7) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0040650 k( 8) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0040650 k( 9) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0040650 k( 10) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0040650 k( 11) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0040650 k( 12) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0040650 k( 13) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0040650 k( 14) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0040650 k( 15) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0040650 k( 16) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0040650 k( 17) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0040650 k( 18) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0040650 k( 19) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0040650 k( 20) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0040650 k( 21) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0040650 k( 22) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0040650 k( 23) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0040650 k( 24) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0040650 k( 25) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0040650 k( 26) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0040650 k( 27) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0040650 k( 28) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0040650 k( 29) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0040650 k( 30) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0040650 k( 31) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0040650 k( 32) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0040650 k( 33) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0040650 k( 34) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0040650 k( 35) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0040650 k( 36) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0040650 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040650 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040650 k( 39) = ( -0.0138911 0.0138911 0.5000000), wk = 0.0040650 k( 40) = ( -0.0277822 0.0277822 0.5000000), wk = 0.0040650 k( 41) = ( -0.0416733 0.0416733 0.5000000), wk = 0.0040650 k( 42) = ( -0.0555643 0.0555643 0.5000000), wk = 0.0040650 k( 43) = ( -0.0694554 0.0694554 0.5000000), wk = 0.0040650 k( 44) = ( -0.0833465 0.0833465 0.5000000), wk = 0.0040650 k( 45) = ( -0.0972376 0.0972376 0.5000000), wk = 0.0040650 k( 46) = ( -0.1111287 0.1111287 0.5000000), wk = 0.0040650 k( 47) = ( -0.1250198 0.1250198 0.5000000), wk = 0.0040650 k( 48) = ( -0.1250198 0.1250198 0.5000000), wk = 0.0040650 k( 49) = ( -0.1348877 0.1348877 0.4901321), wk = 0.0040650 k( 50) = ( -0.1447556 0.1447556 0.4802642), wk = 0.0040650 k( 51) = ( -0.1546235 0.1546235 0.4703963), wk = 0.0040650 k( 52) = ( -0.1644914 0.1644914 0.4605284), wk = 0.0040650 k( 53) = ( -0.1743593 0.1743593 0.4506605), wk = 0.0040650 k( 54) = ( -0.1842272 0.1842272 0.4407926), wk = 0.0040650 k( 55) = ( -0.1940951 0.1940951 0.4309247), wk = 0.0040650 k( 56) = ( -0.2039630 0.2039630 0.4210568), wk = 0.0040650 k( 57) = ( -0.2138309 0.2138309 0.4111889), wk = 0.0040650 k( 58) = ( -0.2236988 0.2236988 0.4013210), wk = 0.0040650 k( 59) = ( -0.2335667 0.2335667 0.3914531), wk = 0.0040650 k( 60) = ( -0.2434346 0.2434346 0.3815852), wk = 0.0040650 k( 61) = ( -0.2533025 0.2533025 0.3717173), wk = 0.0040650 k( 62) = ( -0.2631704 0.2631704 0.3618494), wk = 0.0040650 k( 63) = ( -0.2730383 0.2730383 0.3519815), wk = 0.0040650 k( 64) = ( -0.2829062 0.2829062 0.3421136), wk = 0.0040650 k( 65) = ( -0.2927741 0.2927741 0.3322457), wk = 0.0040650 k( 66) = ( -0.3026420 0.3026420 0.3223778), wk = 0.0040650 k( 67) = ( -0.3125099 0.3125099 0.3125099), wk = 0.0040650 k( 68) = ( -0.3125099 0.3125099 0.3125099), wk = 0.0040650 k( 69) = ( -0.3027440 0.3027440 0.3027440), wk = 0.0040650 k( 70) = ( -0.2929780 0.2929780 0.2929780), wk = 0.0040650 k( 71) = ( -0.2832121 0.2832121 0.2832121), wk = 0.0040650 k( 72) = ( -0.2734462 0.2734462 0.2734462), wk = 0.0040650 k( 73) = ( -0.2636802 0.2636802 0.2636802), wk = 0.0040650 k( 74) = ( -0.2539143 0.2539143 0.2539143), wk = 0.0040650 k( 75) = ( -0.2441484 0.2441484 0.2441484), wk = 0.0040650 k( 76) = ( -0.2343824 0.2343824 0.2343824), wk = 0.0040650 k( 77) = ( -0.2246165 0.2246165 0.2246165), wk = 0.0040650 k( 78) = ( -0.2148506 0.2148506 0.2148505), wk = 0.0040650 k( 79) = ( -0.2050846 0.2050846 0.2050846), wk = 0.0040650 k( 80) = ( -0.1953187 0.1953187 0.1953187), wk = 0.0040650 k( 81) = ( -0.1855527 0.1855527 0.1855527), wk = 0.0040650 k( 82) = ( -0.1757868 0.1757868 0.1757868), wk = 0.0040650 k( 83) = ( -0.1660209 0.1660209 0.1660209), wk = 0.0040650 k( 84) = ( -0.1562550 0.1562550 0.1562550), wk = 0.0040650 k( 85) = ( -0.1464890 0.1464890 0.1464890), wk = 0.0040650 k( 86) = ( -0.1367231 0.1367231 0.1367231), wk = 0.0040650 k( 87) = ( -0.1269571 0.1269571 0.1269571), wk = 0.0040650 k( 88) = ( -0.1171912 0.1171912 0.1171912), wk = 0.0040650 k( 89) = ( -0.1074253 0.1074253 0.1074253), wk = 0.0040650 k( 90) = ( -0.0976593 0.0976593 0.0976593), wk = 0.0040650 k( 91) = ( -0.0878934 0.0878934 0.0878934), wk = 0.0040650 k( 92) = ( -0.0781275 0.0781275 0.0781275), wk = 0.0040650 k( 93) = ( -0.0683615 0.0683615 0.0683615), wk = 0.0040650 k( 94) = ( -0.0585956 0.0585956 0.0585956), wk = 0.0040650 k( 95) = ( -0.0488297 0.0488297 0.0488297), wk = 0.0040650 k( 96) = ( -0.0390637 0.0390637 0.0390637), wk = 0.0040650 k( 97) = ( -0.0292978 0.0292978 0.0292978), wk = 0.0040650 k( 98) = ( -0.0195319 0.0195319 0.0195319), wk = 0.0040650 k( 99) = ( -0.0097659 0.0097659 0.0097659), wk = 0.0040650 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 102) = ( 0.0200000 0.0200000 -0.0200000), wk = 0.0040650 k( 103) = ( 0.0400000 0.0400000 -0.0400000), wk = 0.0040650 k( 104) = ( 0.0600000 0.0600000 -0.0600000), wk = 0.0040650 k( 105) = ( 0.0800000 0.0800000 -0.0800000), wk = 0.0040650 k( 106) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0040650 k( 107) = ( 0.1200000 0.1200000 -0.1200000), wk = 0.0040650 k( 108) = ( 0.1400000 0.1400000 -0.1400000), wk = 0.0040650 k( 109) = ( 0.1600000 0.1600000 -0.1600000), wk = 0.0040650 k( 110) = ( 0.1800000 0.1800000 -0.1800000), wk = 0.0040650 k( 111) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0040650 k( 112) = ( 0.2200000 0.2200000 -0.2200000), wk = 0.0040650 k( 113) = ( 0.2400000 0.2400000 -0.2400000), wk = 0.0040650 k( 114) = ( 0.2600000 0.2600000 -0.2600000), wk = 0.0040650 k( 115) = ( 0.2800000 0.2800000 -0.2800000), wk = 0.0040650 k( 116) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0040650 k( 117) = ( 0.3200000 0.3200000 -0.3200000), wk = 0.0040650 k( 118) = ( 0.3400000 0.3400000 -0.3400000), wk = 0.0040650 k( 119) = ( 0.3600000 0.3600000 -0.3600000), wk = 0.0040650 k( 120) = ( 0.3800000 0.3800000 -0.3800000), wk = 0.0040650 k( 121) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0040650 k( 122) = ( 0.4200000 0.4200000 -0.4200000), wk = 0.0040650 k( 123) = ( 0.4400000 0.4400000 -0.4400000), wk = 0.0040650 k( 124) = ( 0.4600000 0.4600000 -0.4600000), wk = 0.0040650 k( 125) = ( 0.4800000 0.4800000 -0.4800000), wk = 0.0040650 k( 126) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0040650 k( 127) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0040650 k( 128) = ( 0.4901321 0.5098679 -0.4901321), wk = 0.0040650 k( 129) = ( 0.4802642 0.5197358 -0.4802642), wk = 0.0040650 k( 130) = ( 0.4703963 0.5296037 -0.4703963), wk = 0.0040650 k( 131) = ( 0.4605284 0.5394716 -0.4605284), wk = 0.0040650 k( 132) = ( 0.4506605 0.5493395 -0.4506605), wk = 0.0040650 k( 133) = ( 0.4407926 0.5592074 -0.4407926), wk = 0.0040650 k( 134) = ( 0.4309247 0.5690753 -0.4309247), wk = 0.0040650 k( 135) = ( 0.4210568 0.5789432 -0.4210568), wk = 0.0040650 k( 136) = ( 0.4111889 0.5888111 -0.4111889), wk = 0.0040650 k( 137) = ( 0.4013210 0.5986790 -0.4013210), wk = 0.0040650 k( 138) = ( 0.3914531 0.6085469 -0.3914531), wk = 0.0040650 k( 139) = ( 0.3815852 0.6184148 -0.3815852), wk = 0.0040650 k( 140) = ( 0.3717173 0.6282827 -0.3717173), wk = 0.0040650 k( 141) = ( 0.3618494 0.6381506 -0.3618494), wk = 0.0040650 k( 142) = ( 0.3519815 0.6480185 -0.3519815), wk = 0.0040650 k( 143) = ( 0.3421136 0.6578864 -0.3421136), wk = 0.0040650 k( 144) = ( 0.3322457 0.6677543 -0.3322457), wk = 0.0040650 k( 145) = ( 0.3223778 0.6776222 -0.3223778), wk = 0.0040650 k( 146) = ( 0.3125099 0.6874901 -0.3125099), wk = 0.0040650 k( 147) = ( 0.3125099 0.6874901 -0.3125099), wk = 0.0040650 k( 148) = ( 0.2901878 0.6740979 -0.2901878), wk = 0.0040650 k( 149) = ( 0.2678656 0.6607058 -0.2678656), wk = 0.0040650 k( 150) = ( 0.2455435 0.6473136 -0.2455435), wk = 0.0040650 k( 151) = ( 0.2232214 0.6339215 -0.2232213), wk = 0.0040650 k( 152) = ( 0.2008992 0.6205293 -0.2008992), wk = 0.0040650 k( 153) = ( 0.1785771 0.6071372 -0.1785771), wk = 0.0040650 k( 154) = ( 0.1562550 0.5937450 -0.1562549), wk = 0.0040650 k( 155) = ( 0.1339328 0.5803529 -0.1339328), wk = 0.0040650 k( 156) = ( 0.1116107 0.5669608 -0.1116107), wk = 0.0040650 k( 157) = ( 0.0892885 0.5535686 -0.0892885), wk = 0.0040650 k( 158) = ( 0.0669664 0.5401764 -0.0669664), wk = 0.0040650 k( 159) = ( 0.0446443 0.5267843 -0.0446443), wk = 0.0040650 k( 160) = ( 0.0223221 0.5133922 -0.0223221), wk = 0.0040650 k( 161) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040650 k( 162) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040650 k( 163) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0040650 k( 164) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0040650 k( 165) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0040650 k( 166) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0040650 k( 167) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0040650 k( 168) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0040650 k( 169) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0040650 k( 170) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0040650 k( 171) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0040650 k( 172) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0040650 k( 173) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0040650 k( 174) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0040650 k( 175) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0040650 k( 176) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0040650 k( 177) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0040650 k( 178) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0040650 k( 179) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0040650 k( 180) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0040650 k( 181) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0040650 k( 182) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0040650 k( 183) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0040650 k( 184) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0040650 k( 185) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0040650 k( 186) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0040650 k( 187) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040650 k( 188) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040650 k( 189) = ( 0.2656250 0.2656250 0.2265613), wk = 0.0040650 k( 190) = ( 0.2812500 0.2812500 0.2031225), wk = 0.0040650 k( 191) = ( 0.2968750 0.2968750 0.1796838), wk = 0.0040650 k( 192) = ( 0.3125000 0.3125000 0.1562451), wk = 0.0040650 k( 193) = ( 0.3281250 0.3281250 0.1328063), wk = 0.0040650 k( 194) = ( 0.3437500 0.3437500 0.1093676), wk = 0.0040650 k( 195) = ( 0.3593750 0.3593750 0.0859288), wk = 0.0040650 k( 196) = ( 0.3750000 0.3750000 0.0624901), wk = 0.0040650 k( 197) = ( 0.3906250 0.3906250 0.0390514), wk = 0.0040650 k( 198) = ( 0.4062500 0.4062500 0.0156126), wk = 0.0040650 k( 199) = ( 0.4218750 0.4218750 -0.0078261), wk = 0.0040650 k( 200) = ( 0.4375000 0.4375000 -0.0312648), wk = 0.0040650 k( 201) = ( 0.4531250 0.4531250 -0.0547036), wk = 0.0040650 k( 202) = ( 0.4687500 0.4687500 -0.0781423), wk = 0.0040650 k( 203) = ( 0.4843750 0.4843750 -0.1015811), wk = 0.0040650 k( 204) = ( 0.5000000 0.5000000 -0.1250198), wk = 0.0040650 k( 205) = ( 0.5000000 0.5000000 -0.1250198), wk = 0.0040650 k( 206) = ( 0.5000000 0.5000000 -0.1389080), wk = 0.0040650 k( 207) = ( 0.5000000 0.5000000 -0.1527961), wk = 0.0040650 k( 208) = ( 0.5000000 0.5000000 -0.1666843), wk = 0.0040650 k( 209) = ( 0.5000000 0.5000000 -0.1805724), wk = 0.0040650 k( 210) = ( 0.5000000 0.5000000 -0.1944606), wk = 0.0040650 k( 211) = ( 0.5000000 0.5000000 -0.2083487), wk = 0.0040650 k( 212) = ( 0.5000000 0.5000000 -0.2222369), wk = 0.0040650 k( 213) = ( 0.5000000 0.5000000 -0.2361250), wk = 0.0040650 k( 214) = ( 0.5000000 0.5000000 -0.2500132), wk = 0.0040650 k( 215) = ( 0.5000000 0.5000000 -0.2639013), wk = 0.0040650 k( 216) = ( 0.5000000 0.5000000 -0.2777895), wk = 0.0040650 k( 217) = ( 0.5000000 0.5000000 -0.2916777), wk = 0.0040650 k( 218) = ( 0.5000000 0.5000000 -0.3055658), wk = 0.0040650 k( 219) = ( 0.5000000 0.5000000 -0.3194540), wk = 0.0040650 k( 220) = ( 0.5000000 0.5000000 -0.3333421), wk = 0.0040650 k( 221) = ( 0.5000000 0.5000000 -0.3472303), wk = 0.0040650 k( 222) = ( 0.5000000 0.5000000 -0.3611184), wk = 0.0040650 k( 223) = ( 0.5000000 0.5000000 -0.3750066), wk = 0.0040650 k( 224) = ( 0.5000000 0.5000000 -0.3888947), wk = 0.0040650 k( 225) = ( 0.5000000 0.5000000 -0.4027829), wk = 0.0040650 k( 226) = ( 0.5000000 0.5000000 -0.4166711), wk = 0.0040650 k( 227) = ( 0.5000000 0.5000000 -0.4305592), wk = 0.0040650 k( 228) = ( 0.5000000 0.5000000 -0.4444474), wk = 0.0040650 k( 229) = ( 0.5000000 0.5000000 -0.4583355), wk = 0.0040650 k( 230) = ( 0.5000000 0.5000000 -0.4722237), wk = 0.0040650 k( 231) = ( 0.5000000 0.5000000 -0.4861118), wk = 0.0040650 k( 232) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0040650 k( 233) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040650 k( 234) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0040650 k( 235) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0040650 k( 236) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0040650 k( 237) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0040650 k( 238) = ( 0.0961538 0.0961538 0.4038462), wk = 0.0040650 k( 239) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0040650 k( 240) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0040650 k( 241) = ( 0.1538461 0.1538461 0.3461538), wk = 0.0040650 k( 242) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0040650 k( 243) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0040650 k( 244) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0040650 k( 245) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0040650 k( 246) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040650 Dense grid: 244157 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 91247 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.55 Mb ( 486, 74) NL pseudopotentials 0.62 Mb ( 243, 166) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.04 Mb ( 5087) G-vector shells 0.02 Mb ( 2395) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.20 Mb ( 486, 296) Each subspace H/S matrix 1.34 Mb ( 296, 296) Each matrix 0.37 Mb ( 166, 2, 74) The potential is recalculated from file : ./Ag2HgI4.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.3 secs Computing kpt #: 2 total cpu time spent up to now is 54.7 secs Computing kpt #: 3 total cpu time spent up to now is 62.1 secs Computing kpt #: 4 total cpu time spent up to now is 69.5 secs Computing kpt #: 5 total cpu time spent up to now is 77.3 secs Computing kpt #: 6 total cpu time spent up to now is 85.0 secs Computing kpt #: 7 total cpu time spent up to now is 93.2 secs Computing kpt #: 8 total cpu time spent up to now is 101.5 secs Computing kpt #: 9 total cpu time spent up to now is 109.7 secs Computing kpt #: 10 total cpu time spent up to now is 118.2 secs Computing kpt #: 11 total cpu time spent up to now is 127.1 secs Computing kpt #: 12 total cpu time spent up to now is 135.9 secs Computing kpt #: 13 total cpu time spent up to now is 145.0 secs Computing kpt #: 14 total cpu time spent up to now is 156.3 secs Computing kpt #: 15 total cpu time spent up to now is 167.8 secs Computing kpt #: 16 total cpu time spent up to now is 177.7 secs Computing kpt #: 17 total cpu time spent up to now is 186.9 secs Computing kpt #: 18 total cpu time spent up to now is 195.8 secs Computing kpt #: 19 total cpu time spent up to now is 204.8 secs Computing kpt #: 20 total cpu time spent up to now is 213.4 secs Computing kpt #: 21 total cpu time spent up to now is 222.1 secs Computing kpt #: 22 total cpu time spent up to now is 231.2 secs Computing kpt #: 23 total cpu time spent up to now is 240.9 secs Computing kpt #: 24 total cpu time spent up to now is 249.6 secs Computing kpt #: 25 total cpu time spent up to now is 258.3 secs Computing kpt #: 26 total cpu time spent up to now is 267.1 secs Computing kpt #: 27 total cpu time spent up to now is 275.8 secs Computing kpt #: 28 total cpu time spent up to now is 284.6 secs Computing kpt #: 29 total cpu time spent up to now is 293.6 secs Computing kpt #: 30 total cpu time spent up to now is 303.4 secs Computing kpt #: 31 total cpu time spent up to now is 312.4 secs Computing kpt #: 32 total cpu time spent up to now is 321.5 secs Computing kpt #: 33 total cpu time spent up to now is 330.6 secs Computing kpt #: 34 total cpu time spent up to now is 339.5 secs Computing kpt #: 35 total cpu time spent up to now is 348.6 secs Computing kpt #: 36 total cpu time spent up to now is 357.7 secs Computing kpt #: 37 total cpu time spent up to now is 366.8 secs Computing kpt #: 38 total cpu time spent up to now is 375.5 secs Computing kpt #: 39 total cpu time spent up to now is 384.6 secs Computing kpt #: 40 total cpu time spent up to now is 393.6 secs Computing kpt #: 41 total cpu time spent up to now is 402.9 secs Computing kpt #: 42 total cpu time spent up to now is 412.8 secs Computing kpt #: 43 total cpu time spent up to now is 424.4 secs Computing kpt #: 44 total cpu time spent up to now is 433.6 secs Computing kpt #: 45 total cpu time spent up to now is 442.8 secs Computing kpt #: 46 total cpu time spent up to now is 455.6 secs Computing kpt #: 47 total cpu time spent up to now is 465.6 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 479.0 secs Computing kpt #: 49 total cpu time spent up to now is 489.0 secs Computing kpt #: 50 total cpu time spent up to now is 497.9 secs Computing kpt #: 51 total cpu time spent up to now is 508.5 secs Computing kpt #: 52 total cpu time spent up to now is 518.9 secs Computing kpt #: 53 total cpu time spent up to now is 529.0 secs Computing kpt #: 54 total cpu time spent up to now is 540.9 secs Computing kpt #: 55 total cpu time spent up to now is 549.7 secs Computing kpt #: 56 total cpu time spent up to now is 558.9 secs Computing kpt #: 57 total cpu time spent up to now is 568.1 secs Computing kpt #: 58 total cpu time spent up to now is 577.0 secs Computing kpt #: 59 total cpu time spent up to now is 585.8 secs Computing kpt #: 60 total cpu time spent up to now is 594.6 secs Computing kpt #: 61 total cpu time spent up to now is 603.2 secs Computing kpt #: 62 total cpu time spent up to now is 611.8 secs Computing kpt #: 63 total cpu time spent up to now is 620.5 secs Computing kpt #: 64 total cpu time spent up to now is 629.2 secs Computing kpt #: 65 total cpu time spent up to now is 637.9 secs Computing kpt #: 66 total cpu time spent up to now is 646.7 secs Computing kpt #: 67 total cpu time spent up to now is 655.5 secs Computing kpt #: 68 total cpu time spent up to now is 664.1 secs Computing kpt #: 69 total cpu time spent up to now is 672.8 secs Computing kpt #: 70 total cpu time spent up to now is 681.5 secs Computing kpt #: 71 total cpu time spent up to now is 690.3 secs Computing kpt #: 72 total cpu time spent up to now is 699.0 secs Computing kpt #: 73 total cpu time spent up to now is 707.2 secs Computing kpt #: 74 total cpu time spent up to now is 716.0 secs Computing kpt #: 75 total cpu time spent up to now is 724.2 secs Computing kpt #: 76 total cpu time spent up to now is 733.0 secs Computing kpt #: 77 total cpu time spent up to now is 740.9 secs Computing kpt #: 78 total cpu time spent up to now is 749.0 secs Computing kpt #: 79 total cpu time spent up to now is 757.1 secs Computing kpt #: 80 total cpu time spent up to now is 765.5 secs Computing kpt #: 81 total cpu time spent up to now is 773.7 secs Computing kpt 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spent up to now is 907.0 secs Computing kpt #: 98 total cpu time spent up to now is 914.5 secs Computing kpt #: 99 total cpu time spent up to now is 922.1 secs Computing kpt #: 100 total cpu time spent up to now is 929.3 secs Computing kpt #: 101 total cpu time spent up to now is 936.6 secs Computing kpt #: 102 total cpu time spent up to now is 944.0 secs Computing kpt #: 103 total cpu time spent up to now is 951.4 secs Computing kpt #: 104 total cpu time spent up to now is 958.8 secs Computing kpt #: 105 total cpu time spent up to now is 966.1 secs Computing kpt #: 106 total cpu time spent up to now is 973.3 secs Computing kpt #: 107 total cpu time spent up to now is 980.4 secs Computing kpt #: 108 total cpu time spent up to now is 987.5 secs Computing kpt #: 109 total cpu time spent up to now is 994.4 secs Computing kpt #: 110 total cpu time spent up to now is 1001.4 secs Computing kpt #: 111 total cpu time spent up to now is 1008.3 secs Computing kpt #: 112 total cpu time spent up to now is 1015.1 secs Computing kpt #: 113 total cpu time spent up to now is 1021.8 secs Computing kpt #: 114 total cpu time spent up to now is 1028.5 secs Computing kpt #: 115 total cpu time spent up to now is 1035.1 secs Computing kpt #: 116 total cpu time spent up to now is 1041.8 secs Computing kpt #: 117 total cpu time spent up to now is 1048.6 secs Computing kpt #: 118 total cpu time spent up to now is 1055.3 secs Computing kpt #: 119 total cpu time spent up to now is 1062.3 secs Computing kpt #: 120 total cpu time spent up to now is 1069.2 secs Computing kpt #: 121 total cpu time spent up to now is 1076.0 secs Computing kpt #: 122 total cpu time spent up to now is 1082.8 secs Computing kpt #: 123 total cpu time spent up to now is 1089.6 secs Computing kpt #: 124 total cpu time spent up to now is 1096.6 secs Computing kpt #: 125 total cpu time spent up to now is 1103.4 secs Computing kpt #: 126 total cpu time spent up to now is 1110.2 secs Computing kpt #: 127 total cpu time spent up to now is 1116.8 secs Computing kpt #: 128 total cpu time spent up to now is 1123.9 secs Computing kpt #: 129 total cpu time spent up to now is 1130.6 secs Computing kpt #: 130 total cpu time spent up to now is 1138.6 secs Computing kpt #: 131 total cpu time spent up to now is 1146.9 secs Computing kpt #: 132 total cpu time spent up to now is 1154.0 secs Computing kpt #: 133 total cpu time spent up to now is 1161.2 secs Computing kpt #: 134 total cpu time spent up to now is 1168.3 secs Computing kpt #: 135 total cpu time spent up to now is 1175.5 secs Computing kpt #: 136 total cpu time spent up to now is 1182.7 secs Computing kpt #: 137 total cpu time spent up to now is 1190.0 secs Computing kpt #: 138 total cpu time spent up to now is 1197.4 secs Computing kpt #: 139 total cpu time spent up to now is 1204.9 secs Computing kpt #: 140 total cpu time spent up to now is 1212.5 secs Computing kpt #: 141 total cpu time spent up to now is 1220.1 secs Computing kpt #: 142 total cpu time spent up to now is 1227.8 secs Computing kpt #: 143 total cpu time spent up to now is 1235.6 secs Computing kpt #: 144 total cpu time spent up to now is 1243.4 secs Computing kpt #: 145 total cpu time spent up to now is 1251.9 secs Computing kpt #: 146 total cpu time spent up to now is 1260.5 secs Computing kpt #: 147 total cpu time spent up to now is 1269.1 secs Computing kpt #: 148 total cpu time spent up to now is 1277.8 secs Computing kpt #: 149 total cpu time spent up to now is 1286.5 secs Computing kpt #: 150 total cpu time spent up to now is 1295.2 secs Computing kpt #: 151 total cpu time spent up to now is 1303.3 secs Computing kpt #: 152 total cpu time spent up to now is 1312.0 secs Computing kpt #: 153 total cpu time spent up to now is 1321.1 secs Computing kpt #: 154 total cpu time spent up to now is 1330.3 secs Computing kpt #: 155 total cpu time spent up to now is 1339.6 secs Computing kpt #: 156 total cpu time spent up to now is 1347.8 secs Computing kpt #: 157 total cpu time spent up to now is 1356.2 secs Computing kpt #: 158 total cpu time spent up to now is 1365.3 secs Computing kpt #: 159 total cpu time spent up to now is 1374.8 secs Computing kpt #: 160 total cpu time spent up to now is 1383.6 secs Computing kpt #: 161 total cpu time spent up to now is 1392.8 secs Computing kpt #: 162 total cpu time spent up to now is 1401.5 secs Computing kpt #: 163 total cpu time spent up to now is 1410.3 secs Computing kpt #: 164 total cpu time spent up to now is 1419.5 secs Computing kpt #: 165 total cpu time spent up to now is 1429.0 secs Computing kpt #: 166 total cpu time spent up to now is 1439.4 secs Computing kpt #: 167 total cpu time spent up to now is 1449.0 secs Computing kpt #: 168 total cpu time spent up to now is 1458.0 secs Computing kpt #: 169 total cpu time spent up to now is 1466.9 secs Computing kpt #: 170 total cpu time spent up to now is 1475.8 secs Computing kpt #: 171 total cpu time spent up to now is 1484.7 secs Computing kpt #: 172 total cpu time spent up to now is 1493.4 secs Computing kpt #: 173 total cpu time spent up to now is 1502.2 secs Computing kpt #: 174 total cpu time spent up to now is 1510.8 secs Computing kpt #: 175 total cpu time spent up to now is 1519.6 secs Computing kpt #: 176 total cpu time spent up to now is 1528.4 secs Computing kpt #: 177 total cpu time spent up to now is 1537.6 secs Computing kpt #: 178 total cpu time spent up to now is 1546.7 secs Computing kpt #: 179 total cpu time spent up to now is 1555.9 secs Computing kpt #: 180 total cpu time spent up to now is 1565.2 secs Computing kpt #: 181 total cpu time spent up to now is 1576.8 secs Computing kpt #: 182 total cpu time spent up to now is 1586.7 secs Computing kpt #: 183 total cpu time spent up to now is 1596.7 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1610.2 secs Computing kpt #: 185 total cpu time spent up to now is 1620.1 secs Computing kpt #: 186 total cpu time spent up to now is 1630.7 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1643.9 secs Computing kpt #: 188 total cpu time spent up to now is 1654.0 secs Computing kpt #: 189 total cpu time spent up to now is 1664.2 secs Computing kpt #: 190 total cpu time spent up to now is 1674.1 secs Computing kpt #: 191 total cpu time spent up to now is 1683.4 secs Computing kpt #: 192 total cpu time spent up to now is 1692.7 secs Computing kpt #: 193 total cpu time spent up to now is 1702.1 secs Computing kpt #: 194 total cpu time spent up to now is 1711.3 secs Computing kpt #: 195 total cpu time spent up to now is 1721.1 secs Computing kpt #: 196 total cpu time spent up to now is 1730.8 secs Computing kpt #: 197 total cpu time spent up to now is 1742.4 secs Computing kpt #: 198 total cpu time spent up to now is 1751.7 secs Computing kpt #: 199 total cpu time spent up to now is 1761.1 secs Computing kpt #: 200 total cpu time spent up to now is 1770.6 secs Computing kpt #: 201 total cpu time spent up to now is 1779.8 secs Computing kpt #: 202 total cpu time spent up to now is 1789.1 secs Computing kpt #: 203 total cpu time spent up to now is 1798.8 secs Computing kpt #: 204 total cpu time spent up to now is 1808.2 secs Computing kpt #: 205 total cpu time spent up to now is 1818.5 secs Computing kpt #: 206 total cpu time spent up to now is 1828.5 secs Computing kpt #: 207 total cpu time spent up to now is 1838.8 secs Computing kpt #: 208 total cpu time spent up to now is 1848.2 secs Computing kpt #: 209 total cpu time spent up to now is 1858.1 secs Computing kpt #: 210 total cpu time spent up to now is 1867.1 secs Computing kpt #: 211 total cpu time spent up to now is 1876.1 secs Computing kpt #: 212 total cpu time spent up to now is 1885.0 secs Computing kpt #: 213 total cpu time spent up to now is 1893.5 secs Computing kpt #: 214 total cpu time spent up to now is 1901.8 secs Computing kpt #: 215 total cpu time spent up to now is 1909.7 secs Computing kpt #: 216 total cpu time spent up to now is 1918.0 secs Computing kpt #: 217 total cpu time spent up to now is 1925.9 secs Computing kpt #: 218 total cpu time spent up to now is 1933.6 secs Computing kpt #: 219 total cpu time spent up to now is 1941.2 secs Computing kpt #: 220 total cpu time spent up to now is 1948.8 secs Computing kpt #: 221 total cpu time spent up to now is 1956.2 secs Computing kpt #: 222 total cpu time spent up to now is 1963.7 secs Computing kpt #: 223 total cpu time spent up to now is 1971.0 secs Computing kpt #: 224 total cpu time spent up to now is 1978.4 secs Computing kpt #: 225 total cpu time spent up to now is 1985.5 secs Computing kpt #: 226 total cpu time spent up to now is 1992.7 secs Computing kpt #: 227 total cpu time spent up to now is 1999.7 secs Computing kpt #: 228 total cpu time spent up to now is 2006.7 secs Computing kpt #: 229 total cpu time spent up to now is 2013.4 secs Computing kpt #: 230 total cpu time spent up to now is 2020.2 secs Computing kpt #: 231 total cpu time spent up to now is 2027.0 secs Computing kpt #: 232 total cpu time spent up to now is 2033.8 secs Computing kpt #: 233 total cpu time spent up to now is 2043.6 secs Computing kpt #: 234 total cpu time spent up to now is 2052.6 secs Computing kpt #: 235 total cpu time spent up to now is 2061.6 secs Computing kpt #: 236 total cpu time spent up to now is 2070.5 secs Computing kpt #: 237 total cpu time spent up to now is 2079.5 secs Computing kpt #: 238 total cpu time spent up to now is 2088.4 secs Computing kpt #: 239 total cpu time spent up to now is 2097.3 secs Computing kpt #: 240 total cpu time spent up to now is 2106.5 secs Computing kpt #: 241 total cpu time spent up to now is 2115.9 secs Computing kpt #: 242 total cpu time spent up to now is 2125.0 secs Computing kpt #: 243 total cpu time spent up to now is 2136.2 secs Computing kpt #: 244 total cpu time spent up to now is 2145.6 secs Computing kpt #: 245 total cpu time spent up to now is 2155.7 secs Computing kpt #: 246 total cpu time spent up to now is 2166.9 secs ethr = 1.61E-11, avg # of iterations = 46.2 total cpu time spent up to now is 2166.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11279 PWs) bands (ev): -8.4089 -8.4089 -7.9126 -7.9126 -7.9082 -7.9082 -7.9053 -7.9053 -3.1655 -3.1655 -3.1488 -3.1488 -1.6139 -1.6139 -1.5142 -1.5142 -1.4697 -1.4697 -0.9121 -0.9121 0.2295 0.2295 0.4292 0.4292 0.5141 0.5141 0.5258 0.5258 0.6249 0.6249 0.8478 0.8478 0.9777 0.9777 1.0992 1.0992 1.2382 1.2382 1.4743 1.4743 1.4790 1.4790 1.9674 1.9674 1.9970 1.9970 2.1311 2.1311 2.3077 2.3077 2.4942 2.4942 2.8319 2.8319 2.9027 2.9027 3.8344 3.8344 4.5622 4.5622 4.5785 4.5785 5.5862 5.5862 7.9159 7.9159 8.0434 8.0434 8.9029 8.9029 9.4735 9.4735 9.7336 9.7336 k = 0.0000 0.0000 0.0241 ( 11335 PWs) bands (ev): -8.4085 -8.4085 -7.9131 -7.9126 -7.9084 -7.9081 -7.9055 -7.9055 -3.1656 -3.1655 -3.1488 -3.1487 -1.6147 -1.6134 -1.5146 -1.5139 -1.4701 -1.4692 -0.9119 -0.9113 0.2268 0.2322 0.4279 0.4297 0.5082 0.5167 0.5226 0.5308 0.6189 0.6314 0.8460 0.8495 0.9706 0.9839 1.0871 1.1110 1.2354 1.2411 1.4701 1.4729 1.4773 1.4835 1.9466 1.9693 2.0007 2.0058 2.1171 2.1513 2.2982 2.3206 2.4884 2.5027 2.8230 2.8415 2.8893 2.9190 3.8314 3.8333 4.5580 4.5590 4.5715 4.5760 5.5919 5.5961 7.9140 7.9208 8.0454 8.0493 8.9019 8.9029 9.4645 9.4823 9.7328 9.7350 k = 0.0000 0.0000 0.0481 ( 11349 PWs) bands (ev): -8.4072 -8.4072 -7.9140 -7.9130 -7.9087 -7.9082 -7.9062 -7.9061 -3.1658 -3.1656 -3.1488 -3.1487 -1.6157 -1.6132 -1.5148 -1.5134 -1.4704 -1.4684 -0.9108 -0.9096 0.2244 0.2352 0.4259 0.4293 0.5008 0.5165 0.5206 0.5374 0.6137 0.6386 0.8443 0.8510 0.9632 0.9886 1.0755 1.1223 1.2328 1.2440 1.4616 1.4691 1.4801 1.4864 1.9213 1.9527 2.0047 2.0261 2.1101 2.1752 2.2935 2.3358 2.4856 2.5135 2.8143 2.8524 2.8783 2.9384 3.8244 3.8283 4.5413 4.5431 4.5607 4.5704 5.6125 5.6205 7.9152 7.9281 8.0556 8.0628 8.8996 8.9018 9.4554 9.4909 9.7329 9.7369 k = 0.0000 0.0000 0.0722 ( 11355 PWs) bands (ev): -8.4050 -8.4050 -7.9153 -7.9139 -7.9091 -7.9085 -7.9072 -7.9070 -3.1661 -3.1658 -3.1488 -3.1485 -1.6169 -1.6133 -1.5151 -1.5129 -1.4704 -1.4676 -0.9088 -0.9071 0.2222 0.2382 0.4234 0.4280 0.4929 0.5146 0.5185 0.5441 0.6092 0.6466 0.8428 0.8521 0.9557 0.9910 1.0653 1.1327 1.2306 1.2468 1.4505 1.4659 1.4822 1.4883 1.8941 1.9295 2.0075 2.0484 2.1082 2.1997 2.2945 2.3523 2.4867 2.5272 2.8058 2.8654 2.8697 2.9609 3.8131 3.8192 4.5086 4.5132 4.5518 4.5651 5.6461 5.6573 7.9190 7.9370 8.0745 8.0836 8.8964 8.9000 9.4463 9.4992 9.7338 9.7394 k = 0.0000 0.0000 0.0962 ( 11337 PWs) bands (ev): -8.4020 -8.4019 -7.9170 -7.9154 -7.9101 -7.9096 -7.9081 -7.9074 -3.1665 -3.1661 -3.1489 -3.1484 -1.6183 -1.6137 -1.5152 -1.5124 -1.4702 -1.4667 -0.9060 -0.9037 0.2203 0.2413 0.4204 0.4258 0.4850 0.5120 0.5156 0.5502 0.6057 0.6554 0.8415 0.8522 0.9487 0.9899 1.0577 1.1419 1.2286 1.2494 1.4379 1.4626 1.4830 1.4907 1.8653 1.9028 2.0109 2.0707 2.1086 2.2220 2.3014 2.3695 2.4924 2.5442 2.7976 2.8630 2.8814 2.9864 3.7975 3.8061 4.4654 4.4740 4.5418 4.5586 5.6901 5.7036 7.9251 7.9467 8.1020 8.1115 8.8925 8.8978 9.4373 9.5070 9.7352 9.7431 k = 0.0000 0.0000 0.1203 ( 11339 PWs) bands (ev): -8.3981 -8.3981 -7.9192 -7.9174 -7.9119 -7.9116 -7.9087 -7.9074 -3.1670 -3.1666 -3.1489 -3.1482 -1.6197 -1.6145 -1.5154 -1.5117 -1.4698 -1.4656 -0.9026 -0.8996 0.2185 0.2444 0.4168 0.4225 0.4772 0.5087 0.5121 0.5551 0.6036 0.6648 0.8402 0.8511 0.9423 0.9844 1.0534 1.1497 1.2266 1.2519 1.4243 1.4590 1.4826 1.4941 1.8352 1.8744 2.0158 2.0915 2.1106 2.2397 2.3135 2.3871 2.5036 2.5653 2.7901 2.8588 2.9004 3.0144 3.7773 3.7888 4.4152 4.4289 4.5298 4.5501 5.7418 5.7567 7.9327 7.9568 8.1374 8.1458 8.8884 8.8960 9.4286 9.5141 9.7369 9.7488 k = 0.0000 0.0000 0.1443 ( 11337 PWs) bands (ev): -8.3934 -8.3933 -7.9219 -7.9198 -7.9142 -7.9141 -7.9092 -7.9074 -3.1675 -3.1671 -3.1490 -3.1479 -1.6212 -1.6155 -1.5155 -1.5110 -1.4692 -1.4645 -0.8985 -0.8949 0.2170 0.2474 0.4126 0.4184 0.4696 0.5040 0.5089 0.5581 0.6036 0.6749 0.8387 0.8485 0.9368 0.9752 1.0521 1.1559 1.2244 1.2544 1.4103 1.4550 1.4820 1.4981 1.8041 1.8450 2.0226 2.1033 2.1214 2.2514 2.3294 2.4050 2.5217 2.5904 2.7839 2.8577 2.9227 3.0447 3.7525 3.7674 4.3606 4.3803 4.5160 4.5396 5.7987 5.8142 7.9415 7.9671 8.1793 8.1854 8.8847 8.8952 9.4206 9.5202 9.7390 9.7569 k = 0.0000 0.0000 0.1684 ( 11349 PWs) bands (ev): -8.3879 -8.3878 -7.9251 -7.9227 -7.9171 -7.9168 -7.9096 -7.9073 -3.1681 -3.1676 -3.1492 -3.1476 -1.6228 -1.6169 -1.5156 -1.5101 -1.4683 -1.4634 -0.8940 -0.8898 0.2157 0.2502 0.4077 0.4136 0.4624 0.4980 0.5063 0.5587 0.6059 0.6855 0.8364 0.8446 0.9323 0.9636 1.0525 1.1601 1.2216 1.2569 1.3963 1.4506 1.4818 1.5025 1.7724 1.8151 2.0314 2.1058 2.1411 2.2576 2.3461 2.4234 2.5473 2.6189 2.7795 2.8604 2.9480 3.0767 3.7228 3.7419 4.3036 4.3303 4.5003 4.5271 5.8588 5.8741 7.9510 7.9775 8.2255 8.2290 8.8823 8.8966 9.4137 9.5250 9.7422 9.7678 k = 0.0000 0.0000 0.1924 ( 11349 PWs) bands (ev): -8.3815 -8.3815 -7.9287 -7.9260 -7.9204 -7.9199 -7.9100 -7.9073 -3.1688 -3.1682 -3.1494 -3.1472 -1.6243 -1.6185 -1.5156 -1.5091 -1.4672 -1.4621 -0.8892 -0.8844 0.2146 0.2528 0.4018 0.4084 0.4554 0.4912 0.5041 0.5573 0.6104 0.6965 0.8320 0.8404 0.9289 0.9507 1.0535 1.1622 1.2184 1.2596 1.3830 1.4458 1.4823 1.5071 1.7404 1.7848 2.0422 2.1077 2.1613 2.2600 2.3607 2.4440 2.5799 2.6502 2.7777 2.8676 2.9760 3.1101 3.6886 3.7123 4.2458 4.2803 4.4828 4.5126 5.9204 5.9348 7.9607 7.9879 8.2715 8.2764 8.8825 8.9016 9.4084 9.5283 9.7475 9.7817 k = 0.0000 0.0000 0.2165 ( 11347 PWs) bands (ev): -8.3744 -8.3744 -7.9328 -7.9297 -7.9240 -7.9233 -7.9105 -7.9074 -3.1695 -3.1687 -3.1496 -3.1468 -1.6258 -1.6203 -1.5156 -1.5080 -1.4660 -1.4608 -0.8843 -0.8789 0.2137 0.2551 0.3949 0.4030 0.4485 0.4842 0.5022 0.5545 0.6162 0.7079 0.8248 0.8368 0.9264 0.9376 1.0542 1.1618 1.2152 1.2620 1.3706 1.4405 1.4836 1.5119 1.7083 1.7542 2.0552 2.1107 2.1800 2.2608 2.3717 2.4682 2.6174 2.6833 2.7793 2.8799 3.0061 3.1444 3.6502 3.6790 4.1884 4.2311 4.4637 4.4962 5.9822 5.9950 7.9703 7.9980 8.3146 8.3252 8.8864 8.9120 9.4053 9.5303 9.7556 9.7986 k = 0.0000 0.0000 0.2405 ( 11372 PWs) bands (ev): -8.3666 -8.3666 -7.9373 -7.9339 -7.9278 -7.9270 -7.9111 -7.9075 -3.1703 -3.1693 -3.1498 -3.1464 -1.6272 -1.6223 -1.5156 -1.5068 -1.4646 -1.4595 -0.8795 -0.8735 0.2129 0.2570 0.3870 0.3975 0.4415 0.4775 0.5004 0.5509 0.6227 0.7194 0.8157 0.8329 0.9228 0.9262 1.0540 1.1586 1.2124 1.2639 1.3594 1.4347 1.4853 1.5168 1.6764 1.7235 2.0702 2.1153 2.1959 2.2620 2.3806 2.4957 2.6574 2.7179 2.7853 2.8975 3.0378 3.1793 3.6084 3.6424 4.1319 4.1832 4.4431 4.4780 6.0427 6.0538 7.9790 8.0076 8.3528 8.3713 8.8953 8.9299 9.4049 9.5314 9.7672 9.8188 k = 0.0000 0.0000 0.2646 ( 11380 PWs) bands (ev): -8.3581 -8.3580 -7.9421 -7.9385 -7.9319 -7.9309 -7.9118 -7.9078 -3.1711 -3.1698 -3.1500 -3.1460 -1.6287 -1.6242 -1.5156 -1.5054 -1.4630 -1.4581 -0.8748 -0.8683 0.2122 0.2584 0.3785 0.3919 0.4342 0.4718 0.4989 0.5468 0.6296 0.7311 0.8054 0.8278 0.9115 0.9237 1.0527 1.1528 1.2102 1.2648 1.3495 1.4282 1.4873 1.5217 1.6451 1.6932 2.0872 2.1214 2.2083 2.2656 2.3896 2.5251 2.6972 2.7529 2.7975 2.9201 3.0706 3.2142 3.5643 3.6032 4.0771 4.1367 4.4212 4.4583 6.1008 6.1107 7.9863 8.0162 8.3840 8.4121 8.9103 8.9565 9.4076 9.5324 9.7825 9.8424 k = 0.0000 0.0000 0.2887 ( 11364 PWs) bands (ev): -8.3489 -8.3488 -7.9473 -7.9434 -7.9362 -7.9350 -7.9126 -7.9083 -3.1719 -3.1704 -3.1503 -3.1456 -1.6302 -1.6260 -1.5156 -1.5040 -1.4614 -1.4566 -0.8704 -0.8635 0.2116 0.2593 0.3694 0.3862 0.4264 0.4673 0.4976 0.5427 0.6366 0.7427 0.7947 0.8212 0.9001 0.9228 1.0498 1.1448 1.2087 1.2645 1.3411 1.4210 1.4891 1.5266 1.6147 1.6638 2.1058 2.1286 2.2177 2.2728 2.4006 2.5549 2.7352 2.7837 2.8216 2.9470 3.1039 3.2487 3.5194 3.5625 4.0240 4.0915 4.3981 4.4371 6.1547 6.1655 7.9915 8.0234 8.4063 8.4456 8.9315 8.9922 9.4134 9.5343 9.8010 9.8693 k = 0.0000 0.0000 0.3127 ( 11394 PWs) bands (ev): -8.3391 -8.3389 -7.9527 -7.9486 -7.9406 -7.9393 -7.9135 -7.9089 -3.1726 -3.1709 -3.1506 -3.1452 -1.6319 -1.6275 -1.5156 -1.5024 -1.4596 -1.4551 -0.8666 -0.8592 0.2111 0.2596 0.3600 0.3804 0.4183 0.4641 0.4964 0.5385 0.6432 0.7540 0.7839 0.8128 0.8896 0.9225 1.0452 1.1352 1.2072 1.2624 1.3340 1.4127 1.4900 1.5313 1.5860 1.6360 2.1250 2.1357 2.2269 2.2840 2.4141 2.5838 2.7710 2.8073 2.8602 2.9769 3.1370 3.2823 3.4755 3.5216 3.9730 4.0472 4.3740 4.4146 6.2034 6.2179 7.9940 8.0290 8.4199 8.4711 8.9582 9.0352 9.4222 9.5384 9.8212 9.8939 k = 0.0000 0.0000 0.3368 ( 11406 PWs) bands (ev): -8.3287 -8.3285 -7.9583 -7.9541 -7.9451 -7.9437 -7.9147 -7.9097 -3.1733 -3.1713 -3.1509 -3.1448 -1.6339 -1.6286 -1.5156 -1.5008 -1.4578 -1.4537 -0.8633 -0.8556 0.2106 0.2592 0.3503 0.3745 0.4100 0.4621 0.4955 0.5345 0.6495 0.7645 0.7736 0.8027 0.8801 0.9227 1.0389 1.1247 1.2056 1.2584 1.3279 1.4032 1.4888 1.5359 1.5601 1.6108 2.1412 2.1437 2.2389 2.3004 2.4296 2.6104 2.8051 2.8296 2.9062 3.0085 3.1692 3.3140 3.4352 3.4821 3.9242 4.0037 4.3490 4.3909 6.2466 6.2670 7.9934 8.0323 8.4256 8.4889 8.9888 9.0827 9.4329 9.5455 9.8381 9.8600 k = 0.0000 0.0000 0.3608 ( 11386 PWs) bands (ev): -8.3177 -8.3174 -7.9641 -7.9597 -7.9497 -7.9483 -7.9160 -7.9108 -3.1740 -3.1717 -3.1512 -3.1444 -1.6359 -1.6293 -1.5157 -1.4991 -1.4560 -1.4522 -0.8607 -0.8528 0.2101 0.2581 0.3407 0.3686 0.4019 0.4609 0.4947 0.5308 0.6552 0.7628 0.7745 0.7924 0.8715 0.9237 1.0308 1.1137 1.2035 1.2524 1.3228 1.3926 1.4844 1.5381 1.5405 1.5896 2.1449 2.1602 2.2556 2.3232 2.4458 2.6334 2.8386 2.8538 2.9548 3.0405 3.1996 3.3421 3.4020 3.4459 3.8780 3.9609 4.3234 4.3663 6.2839 6.3116 7.9893 8.0329 8.4251 8.4999 9.0213 9.1313 9.4445 9.5563 9.8265 9.8460 k = 0.0000 0.0000 0.3849 ( 11382 PWs) bands (ev): -8.3062 -8.3059 -7.9700 -7.9656 -7.9544 -7.9529 -7.9176 -7.9121 -3.1745 -3.1721 -3.1515 -3.1440 -1.6379 -1.6297 -1.5157 -1.4974 -1.4541 -1.4507 -0.8589 -0.8509 0.2096 0.2562 0.3313 0.3627 0.3942 0.4603 0.4940 0.5276 0.6601 0.7535 0.7733 0.7907 0.8635 0.9251 1.0211 1.1025 1.2007 1.2444 1.3181 1.3807 1.4755 1.5215 1.5441 1.5740 2.1469 2.1740 2.2772 2.3532 2.4613 2.6510 2.8718 2.8807 3.0037 3.0721 3.2263 3.3578 3.3871 3.4152 3.8354 3.9186 4.2971 4.3409 6.3150 6.3510 7.9821 8.0305 8.4196 8.5051 9.0541 9.1781 9.4558 9.5705 9.8038 9.8342 k = 0.0000 0.0000 0.4089 ( 11384 PWs) bands (ev): -8.2943 -8.2939 -7.9760 -7.9715 -7.9592 -7.9576 -7.9195 -7.9138 -3.1750 -3.1724 -3.1518 -3.1437 -1.6399 -1.6300 -1.5157 -1.4956 -1.4523 -1.4492 -0.8580 -0.8499 0.2089 0.2534 0.3223 0.3569 0.3868 0.4600 0.4932 0.5249 0.6639 0.7443 0.7628 0.7981 0.8560 0.9268 1.0099 1.0914 1.1968 1.2343 1.3138 1.3683 1.4635 1.5089 1.5452 1.5661 2.1479 2.1851 2.3028 2.3901 2.4747 2.6618 2.9050 2.9105 3.0507 3.1031 3.2471 3.3535 3.3919 3.4004 3.7979 3.8772 4.2702 4.3148 6.3395 6.3845 7.9720 8.0252 8.4100 8.5051 9.0864 9.2206 9.4662 9.5867 9.7887 9.8207 k = 0.0000 0.0000 0.4330 ( 11384 PWs) bands (ev): -8.2820 -8.2814 -7.9820 -7.9775 -7.9639 -7.9623 -7.9216 -7.9157 -3.1754 -3.1726 -3.1520 -3.1435 -1.6417 -1.6300 -1.5156 -1.4940 -1.4505 -1.4478 -0.8579 -0.8499 0.2082 0.2496 0.3138 0.3511 0.3799 0.4599 0.4917 0.5233 0.6664 0.7339 0.7535 0.8052 0.8494 0.9279 0.9982 1.0807 1.1923 1.2225 1.3096 1.3561 1.4509 1.4986 1.5425 1.5666 2.1488 2.1946 2.3307 2.4316 2.4859 2.6651 2.9385 2.9428 3.0926 3.1357 3.2600 3.3561 3.3775 3.4159 3.7675 3.8374 4.2430 4.2880 6.3570 6.4114 7.9596 8.0172 8.3967 8.4998 9.1179 9.2577 9.4763 9.6031 9.7826 9.8137 k = 0.0000 0.0000 0.4570 ( 11396 PWs) bands (ev): -8.2693 -8.2686 -7.9880 -7.9834 -7.9686 -7.9670 -7.9241 -7.9180 -3.1757 -3.1728 -3.1523 -3.1432 -1.6434 -1.6299 -1.5156 -1.4923 -1.4487 -1.4464 -0.8586 -0.8508 0.2073 0.2450 0.3059 0.3456 0.3732 0.4599 0.4892 0.5228 0.6675 0.7218 0.7478 0.8097 0.8447 0.9270 0.9874 1.0705 1.1872 1.2092 1.3055 1.3450 1.4393 1.4899 1.5386 1.5711 2.1502 2.2035 2.3585 2.4667 2.5033 2.6617 2.9730 2.9766 3.1256 3.1732 3.2676 3.3675 3.3711 3.4277 3.7463 3.8005 4.2153 4.2607 6.3671 6.4312 7.9456 8.0072 8.3794 8.4893 9.1492 9.2895 9.4868 9.6184 9.7852 9.8163 k = 0.0000 0.0000 0.4811 ( 11404 PWs) bands (ev): -8.2564 -8.2555 -7.9938 -7.9894 -7.9732 -7.9717 -7.9269 -7.9207 -3.1759 -3.1729 -3.1525 -3.1431 -1.6448 -1.6297 -1.5155 -1.4907 -1.4471 -1.4451 -0.8601 -0.8526 0.2062 0.2395 0.2985 0.3402 0.3669 0.4600 0.4851 0.5236 0.6672 0.7091 0.7453 0.8099 0.8430 0.9221 0.9805 1.0609 1.1822 1.1949 1.3015 1.3358 1.4291 1.4827 1.5352 1.5770 2.1524 2.2124 2.3824 2.4748 2.5461 2.6546 3.0085 3.0112 3.1513 3.2143 3.2740 3.3639 3.3862 3.4392 3.7340 3.7699 4.1873 4.2330 6.3697 6.4432 7.9307 7.9960 8.3578 8.4732 9.1809 9.3170 9.4986 9.6324 9.7957 9.8295 k = 0.0000 0.0000 0.5052 ( 11412 PWs) bands (ev): -8.2432 -8.2422 -7.9996 -7.9952 -7.9778 -7.9763 -7.9301 -7.9238 -3.1761 -3.1729 -3.1527 -3.1430 -1.6460 -1.6293 -1.5153 -1.4893 -1.4455 -1.4439 -0.8624 -0.8552 0.2050 0.2334 0.2916 0.3349 0.3610 0.4602 0.4794 0.5252 0.6658 0.6973 0.7449 0.8058 0.8432 0.9128 0.9789 1.0520 1.1762 1.1816 1.2977 1.3287 1.4204 1.4770 1.5322 1.5836 2.1558 2.2217 2.3972 2.4696 2.5999 2.6496 3.0441 3.0470 3.1728 3.2548 3.2795 3.3553 3.4056 3.4554 3.7222 3.7552 4.1590 4.2049 6.3649 6.4470 7.9156 7.9845 8.3316 8.4516 9.2136 9.3421 9.5122 9.6463 9.8127 9.8521 k = 0.0000 0.0000 0.5292 ( 11400 PWs) bands (ev): -8.2298 -8.2287 -8.0052 -8.0009 -7.9822 -7.9807 -7.9337 -7.9273 -3.1761 -3.1728 -3.1529 -3.1429 -1.6469 -1.6290 -1.5150 -1.4880 -1.4440 -1.4427 -0.8653 -0.8585 0.2036 0.2267 0.2851 0.3297 0.3556 0.4606 0.4719 0.5271 0.6633 0.6875 0.7457 0.7994 0.8417 0.9029 0.9817 1.0440 1.1635 1.1764 1.2944 1.3234 1.4128 1.4727 1.5297 1.5905 2.1603 2.2315 2.3979 2.4579 2.6514 2.6591 3.0782 3.0842 3.1892 3.2774 3.2954 3.3482 3.4270 3.4775 3.7067 3.7604 4.1305 4.1766 6.3528 6.4426 7.9009 7.9736 8.3006 8.4247 9.2479 9.3668 9.5279 9.6614 9.8351 9.8827 k = 0.0000 0.0000 0.5533 ( 11404 PWs) bands (ev): -8.2163 -8.2150 -8.0105 -8.0063 -7.9865 -7.9851 -7.9377 -7.9312 -3.1760 -3.1727 -3.1531 -3.1430 -1.6476 -1.6286 -1.5147 -1.4868 -1.4427 -1.4416 -0.8688 -0.8625 0.2021 0.2198 0.2785 0.3244 0.3509 0.4611 0.4628 0.5287 0.6599 0.6804 0.7471 0.7920 0.8350 0.8969 0.9868 1.0368 1.1496 1.1745 1.2914 1.3198 1.4059 1.4695 1.5275 1.5975 2.1660 2.2413 2.3850 2.4400 2.6691 2.7154 3.1092 3.1209 3.1941 3.2768 3.3305 3.3462 3.4520 3.5042 3.6973 3.7749 4.1018 4.1480 6.3338 6.4298 7.8869 7.9640 8.2651 8.3933 9.2840 9.3928 9.5457 9.6787 9.8616 9.9194 k = 0.0000 0.0000 0.5773 ( 11426 PWs) bands (ev): -8.2028 -8.2013 -8.0156 -8.0115 -7.9905 -7.9892 -7.9421 -7.9356 -3.1759 -3.1725 -3.1532 -3.1431 -1.6481 -1.6283 -1.5142 -1.4859 -1.4414 -1.4406 -0.8728 -0.8669 0.2005 0.2127 0.2717 0.3190 0.3471 0.4517 0.4620 0.5296 0.6566 0.6755 0.7483 0.7840 0.8235 0.8958 0.9930 1.0308 1.1369 1.1741 1.2889 1.3177 1.3996 1.4671 1.5260 1.6045 2.1723 2.2497 2.3632 2.4176 2.6948 2.7725 3.1280 3.1521 3.1920 3.2877 3.3419 3.3665 3.4819 3.5341 3.6972 3.7937 4.0733 4.1193 6.3085 6.4091 7.8739 7.9563 8.2256 8.3583 9.3218 9.4211 9.5659 9.6983 9.8911 9.9609 k = 0.0000 0.0000 0.6014 ( 11422 PWs) bands (ev): -8.1893 -8.1876 -8.0204 -8.0165 -7.9944 -7.9931 -7.9470 -7.9405 -3.1757 -3.1723 -3.1533 -3.1433 -1.6482 -1.6280 -1.5135 -1.4852 -1.4403 -1.4396 -0.8771 -0.8717 0.1989 0.2058 0.2645 0.3138 0.3440 0.4392 0.4632 0.5296 0.6542 0.6723 0.7488 0.7753 0.8115 0.8972 0.9994 1.0264 1.1261 1.1748 1.2868 1.3171 1.3936 1.4651 1.5255 1.6117 2.1784 2.2540 2.3378 2.3959 2.7248 2.8261 3.1131 3.1735 3.2145 3.3073 3.3402 3.3990 3.5161 3.5658 3.7058 3.8143 4.0450 4.0909 6.2778 6.3810 7.8619 7.9507 8.1831 8.3209 9.3611 9.4522 9.5885 9.7200 9.9228 10.0057 k = 0.0000 0.0000 0.6254 ( 11420 PWs) bands (ev): -8.1758 -8.1740 -8.0248 -8.0210 -7.9980 -7.9968 -7.9523 -7.9459 -3.1754 -3.1720 -3.1533 -3.1435 -1.6481 -1.6279 -1.5127 -1.4847 -1.4394 -1.4388 -0.8816 -0.8766 0.1972 0.1995 0.2568 0.3088 0.3416 0.4253 0.4646 0.5285 0.6532 0.6702 0.7472 0.7660 0.8027 0.8989 1.0050 1.0244 1.1176 1.1764 1.2853 1.3181 1.3879 1.4633 1.5263 1.6186 2.1818 2.2492 2.3142 2.3823 2.7546 2.8715 3.0834 3.1863 3.2488 3.3267 3.3482 3.4300 3.5528 3.5983 3.7210 3.8350 4.0173 4.0630 6.2429 6.3466 7.8507 7.9472 8.1388 8.2824 9.4015 9.4858 9.6139 9.7432 9.9555 10.0521 k = 0.0000 0.0000 0.6495 ( 11436 PWs) bands (ev): -8.1626 -8.1606 -8.0288 -8.0252 -8.0014 -8.0002 -7.9581 -7.9517 -3.1751 -3.1717 -3.1533 -3.1439 -1.6477 -1.6279 -1.5117 -1.4845 -1.4386 -1.4380 -0.8862 -0.8816 0.1925 0.1966 0.2487 0.3042 0.3397 0.4106 0.4663 0.5265 0.6530 0.6691 0.7409 0.7587 0.7983 0.8993 1.0089 1.0254 1.1116 1.1783 1.2843 1.3205 1.3822 1.4610 1.5288 1.6254 2.1780 2.2324 2.2985 2.3817 2.7800 2.8974 3.0649 3.1882 3.2834 3.3446 3.3698 3.4592 3.5901 3.6309 3.7404 3.8548 3.9908 4.0363 6.2048 6.3069 7.8401 7.9454 8.0940 8.2441 9.4423 9.5218 9.6419 9.7670 9.9881 10.0982 k = 0.0000 0.0000 0.6735 ( 11412 PWs) bands (ev): -8.1496 -8.1474 -8.0323 -8.0288 -8.0044 -8.0034 -7.9643 -7.9581 -3.1747 -3.1715 -3.1532 -3.1443 -1.6471 -1.6280 -1.5104 -1.4846 -1.4379 -1.4374 -0.8906 -0.8865 0.1870 0.1955 0.2406 0.2999 0.3382 0.3956 0.4683 0.5238 0.6526 0.6694 0.7303 0.7548 0.7978 0.8981 1.0116 1.0287 1.1085 1.1801 1.2843 1.3246 1.3766 1.4580 1.5335 1.6318 2.1628 2.2073 2.2954 2.3928 2.7964 2.8910 3.0742 3.1842 3.3155 3.3669 3.3965 3.4866 3.6263 3.6631 3.7614 3.8721 3.9664 4.0120 6.1652 6.2636 7.8298 7.9444 8.0509 8.2072 9.4830 9.5595 9.6724 9.7904 10.0193 10.1417 k = 0.0000 0.0000 0.6976 ( 11410 PWs) bands (ev): -8.1370 -8.1347 -8.0352 -8.0319 -8.0071 -8.0062 -7.9710 -7.9649 -3.1743 -3.1712 -3.1531 -3.1448 -1.6463 -1.6284 -1.5090 -1.4849 -1.4373 -1.4368 -0.8949 -0.8912 0.1819 0.1945 0.2330 0.2953 0.3369 0.3812 0.4705 0.5206 0.6516 0.6708 0.7192 0.7521 0.7998 0.8950 1.0140 1.0325 1.1080 1.1811 1.2854 1.3300 1.3710 1.4540 1.5404 1.6376 2.1386 2.1784 2.3045 2.4116 2.7987 2.8624 3.1045 3.1816 3.3442 3.3908 3.4248 3.5124 3.6598 3.6941 3.7811 3.8852 3.9452 3.9927 6.1256 6.2180 7.8198 7.9413 8.0132 8.1727 9.5230 9.5983 9.7045 9.8124 10.0478 10.1791 k = 0.0000 0.0000 0.7216 ( 11412 PWs) bands (ev): -8.1249 -8.1226 -8.0375 -8.0343 -8.0096 -8.0087 -7.9781 -7.9721 -3.1738 -3.1710 -3.1528 -3.1453 -1.6452 -1.6290 -1.5074 -1.4856 -1.4368 -1.4363 -0.8988 -0.8956 0.1777 0.1934 0.2266 0.2902 0.3358 0.3680 0.4731 0.5170 0.6500 0.6720 0.7105 0.7494 0.8036 0.8902 1.0168 1.0355 1.1103 1.1810 1.2878 1.3367 1.3653 1.4489 1.5495 1.6425 2.1109 2.1483 2.3222 2.4353 2.7803 2.8314 3.1408 3.1851 3.3691 3.4128 3.4536 3.5367 3.6889 3.7230 3.7964 3.8920 3.9293 3.9816 6.0877 6.1721 7.8100 7.9285 7.9891 8.1415 9.5619 9.6374 9.7370 9.8321 10.0724 10.2063 k = 0.0000 0.0000 0.7457 ( 11424 PWs) bands (ev): -8.1136 -8.1113 -8.0391 -8.0358 -8.0116 -8.0109 -7.9856 -7.9798 -3.1734 -3.1709 -3.1525 -3.1460 -1.6440 -1.6298 -1.5056 -1.4866 -1.4363 -1.4360 -0.9022 -0.8995 0.1744 0.1914 0.2224 0.2839 0.3349 0.3568 0.4758 0.5131 0.6483 0.6711 0.7061 0.7464 0.8087 0.8841 1.0198 1.0373 1.1148 1.1794 1.2916 1.3438 1.3603 1.4428 1.5606 1.6461 2.0839 2.1191 2.3455 2.4625 2.7429 2.8043 3.1759 3.1952 3.3905 3.4310 3.4816 3.5595 3.7108 3.7480 3.8058 3.8889 3.9251 3.9792 6.0532 6.1275 7.8010 7.9026 7.9832 8.1138 9.5991 9.6754 9.7681 9.8490 10.0922 10.2186 k = 0.0000 0.0000 0.7698 ( 11428 PWs) bands (ev): -8.1034 -8.1012 -8.0395 -8.0362 -8.0133 -8.0127 -7.9934 -7.9877 -3.1729 -3.1708 -3.1520 -3.1466 -1.6426 -1.6308 -1.5036 -1.4878 -1.4360 -1.4357 -0.9051 -0.9029 0.1720 0.1884 0.2212 0.2764 0.3342 0.3481 0.4788 0.5091 0.6471 0.6674 0.7065 0.7430 0.8148 0.8771 1.0230 1.0381 1.1211 1.1763 1.2966 1.3472 1.3598 1.4356 1.5733 1.6478 2.0602 2.0919 2.3731 2.4924 2.6978 2.7752 3.2064 3.2102 3.4087 3.4447 3.5080 3.5799 3.7221 3.7672 3.8122 3.8789 3.9337 3.9820 6.0238 6.0860 7.7932 7.8729 7.9863 8.0898 9.6345 9.7101 9.7960 9.8634 10.1069 10.2150 k = 0.0000 0.0000 0.7938 ( 11420 PWs) bands (ev): -8.0946 -8.0928 -8.0387 -8.0352 -8.0147 -8.0141 -8.0012 -7.9959 -3.1725 -3.1708 -3.1515 -3.1474 -1.6411 -1.6319 -1.5015 -1.4893 -1.4357 -1.4355 -0.9074 -0.9057 0.1707 0.1844 0.2229 0.2677 0.3336 0.3420 0.4821 0.5051 0.6465 0.6624 0.7098 0.7392 0.8217 0.8695 1.0261 1.0380 1.1285 1.1719 1.3025 1.3432 1.3674 1.4274 1.5870 1.6470 2.0415 2.0680 2.4045 2.5247 2.6512 2.7424 3.2257 3.2317 3.4239 3.4537 3.5325 3.5961 3.7241 3.7750 3.8214 3.8718 3.9473 3.9856 6.0010 6.0495 7.7877 7.8457 7.9931 8.0693 9.6674 9.7375 9.8201 9.8755 10.1174 10.1996 k = 0.0000 0.0000 0.8179 ( 11430 PWs) bands (ev): -8.0879 -8.0865 -8.0363 -8.0325 -8.0158 -8.0151 -8.0089 -8.0041 -3.1720 -3.1709 -3.1509 -3.1481 -1.6395 -1.6333 -1.4994 -1.4911 -1.4355 -1.4353 -0.9090 -0.9078 0.1705 0.1802 0.2270 0.2584 0.3333 0.3379 0.4855 0.5010 0.6466 0.6574 0.7146 0.7349 0.8291 0.8615 1.0290 1.0371 1.1364 1.1663 1.3091 1.3370 1.3774 1.4185 1.6011 1.6433 2.0290 2.0482 2.4390 2.5583 2.6056 2.7067 3.2409 3.2486 3.4365 3.4580 3.5550 3.6048 3.7239 3.7686 3.8356 3.8690 3.9611 3.9875 5.9863 6.0195 7.7853 7.8230 8.0017 8.0517 9.6971 9.7527 9.8421 9.8839 10.1254 10.1792 k = 0.0000 0.0000 0.8419 ( 11434 PWs) bands (ev): -8.0835 -8.0829 -8.0323 -8.0286 -8.0174 -8.0157 -8.0148 -8.0118 -3.1717 -3.1711 -3.1503 -3.1488 -1.6379 -1.6347 -1.4972 -1.4930 -1.4354 -1.4353 -0.9098 -0.9092 0.1714 0.1764 0.2331 0.2491 0.3334 0.3354 0.4892 0.4970 0.6478 0.6532 0.7198 0.7301 0.8370 0.8533 1.0316 1.0357 1.1445 1.1596 1.3161 1.3302 1.3879 1.4087 1.6147 1.6365 2.0235 2.0336 2.4765 2.5584 2.5965 2.6697 3.2525 3.2576 3.4467 3.4580 3.5753 3.6032 3.7288 3.7548 3.8496 3.8662 3.9729 3.9863 5.9805 5.9974 7.7870 7.8056 8.0119 8.0366 9.7226 9.7534 9.8626 9.8856 10.1333 10.1596 k = 0.0000 0.0000 0.8660 ( 11476 PWs) bands (ev): -8.0819 -8.0819 -8.0278 -8.0278 -8.0181 -8.0181 -8.0158 -8.0158 -3.1713 -3.1713 -3.1496 -3.1496 -1.6363 -1.6363 -1.4950 -1.4950 -1.4353 -1.4353 -0.9099 -0.9099 0.1734 0.1734 0.2405 0.2405 0.3340 0.3340 0.4930 0.4930 0.6499 0.6499 0.7250 0.7250 0.8450 0.8450 1.0338 1.0338 1.1522 1.1522 1.3231 1.3231 1.3984 1.3984 1.6266 1.6266 2.0251 2.0251 2.5166 2.5166 2.6325 2.6325 3.2585 3.2585 3.4540 3.4540 3.5922 3.5922 3.7400 3.7400 3.8601 3.8601 3.9814 3.9814 5.9842 5.9842 7.7936 7.7936 8.0234 8.0234 9.7422 9.7422 9.8783 9.8783 10.1441 10.1441 k = 0.0000 0.0000 0.8660 ( 11476 PWs) bands (ev): -8.0819 -8.0819 -8.0278 -8.0278 -8.0181 -8.0181 -8.0158 -8.0158 -3.1713 -3.1713 -3.1496 -3.1496 -1.6363 -1.6363 -1.4950 -1.4950 -1.4353 -1.4353 -0.9099 -0.9099 0.1734 0.1734 0.2405 0.2405 0.3340 0.3340 0.4930 0.4930 0.6499 0.6499 0.7250 0.7250 0.8450 0.8450 1.0338 1.0338 1.1522 1.1522 1.3231 1.3231 1.3984 1.3984 1.6266 1.6266 2.0251 2.0251 2.5166 2.5166 2.6325 2.6325 3.2585 3.2585 3.4540 3.4540 3.5922 3.5922 3.7400 3.7400 3.8601 3.8601 3.9814 3.9814 5.9842 5.9842 7.7936 7.7936 8.0234 8.0234 9.7422 9.7422 9.8783 9.8783 10.1441 10.1441 k =-0.0139 0.0196 0.8660 ( 11434 PWs) bands (ev): -8.0819 -8.0818 -8.0280 -8.0277 -8.0180 -8.0178 -8.0161 -8.0158 -3.1719 -3.1709 -3.1501 -3.1491 -1.6376 -1.6354 -1.4965 -1.4937 -1.4355 -1.4353 -0.9102 -0.9090 0.1709 0.1767 0.2353 0.2464 0.3320 0.3364 0.4891 0.4968 0.6375 0.6605 0.7242 0.7274 0.8393 0.8542 1.0268 1.0414 1.1501 1.1555 1.3185 1.3286 1.3951 1.4026 1.6265 1.6273 2.0234 2.0279 2.5132 2.5187 2.6275 2.6378 3.2548 3.2595 3.4500 3.4559 3.5879 3.5937 3.7359 3.7402 3.8569 3.8608 3.9778 3.9837 5.9852 5.9878 7.7941 7.7982 8.0233 8.0304 9.7238 9.7581 9.8803 9.8847 10.1417 10.1442 k =-0.0278 0.0393 0.8660 ( 11410 PWs) bands (ev): -8.0819 -8.0816 -8.0282 -8.0277 -8.0178 -8.0174 -8.0168 -8.0161 -3.1725 -3.1706 -3.1508 -3.1487 -1.6392 -1.6349 -1.4980 -1.4926 -1.4360 -1.4356 -0.9098 -0.9074 0.1691 0.1806 0.2308 0.2528 0.3301 0.3389 0.4851 0.5003 0.6242 0.6676 0.7250 0.7316 0.8377 0.8660 1.0203 1.0495 1.1489 1.1599 1.3147 1.3347 1.3926 1.4075 1.6267 1.6282 2.0228 2.0317 2.5082 2.5195 2.6230 2.6433 3.2483 3.2579 3.4442 3.4552 3.5810 3.5922 3.7280 3.7359 3.8513 3.8588 3.9727 3.9844 5.9906 5.9960 7.7994 7.8075 8.0298 8.0443 9.7025 9.7718 9.8909 9.8991 10.1365 10.1425 k =-0.0417 0.0589 0.8660 ( 11414 PWs) bands (ev): -8.0818 -8.0814 -8.0285 -8.0278 -8.0185 -8.0181 -8.0164 -8.0156 -3.1732 -3.1704 -3.1515 -3.1485 -1.6411 -1.6347 -1.4997 -1.4915 -1.4367 -1.4361 -0.9087 -0.9053 0.1682 0.1849 0.2270 0.2596 0.3284 0.3417 0.4811 0.5035 0.6109 0.6703 0.7273 0.7382 0.8402 0.8796 1.0144 1.0577 1.1487 1.1656 1.3118 1.3415 1.3907 1.4131 1.6272 1.6293 2.0232 2.0365 2.5017 2.5191 2.6189 2.6488 3.2386 3.2537 3.4367 3.4518 3.5719 3.5880 3.7166 3.7270 3.8438 3.8542 3.9663 3.9838 6.0003 6.0086 7.8095 7.8214 8.0424 8.0648 9.6776 9.7823 9.9096 9.9210 10.1280 10.1396 k =-0.0556 0.0786 0.8660 ( 11422 PWs) bands (ev): -8.0817 -8.0813 -8.0288 -8.0279 -8.0201 -8.0196 -8.0151 -8.0142 -3.1740 -3.1702 -3.1523 -3.1483 -1.6432 -1.6350 -1.5015 -1.4906 -1.4376 -1.4370 -0.9069 -0.9027 0.1681 0.1894 0.2242 0.2670 0.3269 0.3447 0.4772 0.5063 0.5981 0.6690 0.7311 0.7473 0.8466 0.8943 1.0091 1.0659 1.1495 1.1730 1.3097 1.3488 1.3897 1.4197 1.6281 1.6308 2.0246 2.0424 2.4938 2.5178 2.6153 2.6542 3.2253 3.2467 3.4273 3.4455 3.5614 3.5814 3.7020 3.7133 3.8349 3.8476 3.9588 3.9819 6.0140 6.0255 7.8239 7.8394 8.0603 8.0912 9.6481 9.7878 9.9355 9.9497 10.1158 10.1363 k =-0.0695 0.0982 0.8660 ( 11416 PWs) bands (ev): -8.0818 -8.0813 -8.0294 -8.0280 -8.0220 -8.0212 -8.0134 -8.0125 -3.1749 -3.1701 -3.1531 -3.1483 -1.6456 -1.6356 -1.5033 -1.4898 -1.4386 -1.4381 -0.9046 -0.8999 0.1688 0.1937 0.2225 0.2747 0.3255 0.3481 0.4734 0.5084 0.5863 0.6648 0.7362 0.7583 0.8561 0.9094 1.0046 1.0738 1.1514 1.1824 1.3087 1.3565 1.3896 1.4271 1.6295 1.6327 2.0270 2.0493 2.4846 2.5156 2.6122 2.6593 3.2079 3.2370 3.4158 3.4368 3.5499 3.5730 3.6843 3.6952 3.8252 3.8392 3.9502 3.9789 6.0314 6.0463 7.8423 7.8611 8.0827 8.1226 9.6132 9.7849 9.9662 9.9841 10.0998 10.1332 k =-0.0833 0.1179 0.8660 ( 11404 PWs) bands (ev): -8.0821 -8.0816 -8.0308 -8.0282 -8.0241 -8.0222 -8.0113 -8.0103 -3.1759 -3.1701 -3.1539 -3.1484 -1.6481 -1.6366 -1.5052 -1.4891 -1.4400 -1.4394 -0.9020 -0.8970 0.1704 0.1975 0.2224 0.2825 0.3245 0.3517 0.4697 0.5099 0.5756 0.6590 0.7424 0.7706 0.8676 0.9246 1.0008 1.0811 1.1546 1.1942 1.3087 1.3641 1.3911 1.4356 1.6313 1.6352 2.0305 2.0572 2.4742 2.5127 2.6095 2.6639 3.1860 3.2244 3.4013 3.4268 3.5375 3.5637 3.6638 3.6732 3.8150 3.8298 3.9408 3.9750 6.0520 6.0707 7.8641 7.8859 8.1083 8.1577 9.5717 9.7697 9.9930 10.0213 10.0755 10.1242 k =-0.0972 0.1375 0.8660 ( 11390 PWs) bands (ev): -8.0828 -8.0822 -8.0333 -8.0294 -8.0253 -8.0221 -8.0089 -8.0078 -3.1769 -3.1701 -3.1547 -3.1487 -1.6507 -1.6379 -1.5072 -1.4885 -1.4419 -1.4406 -0.8990 -0.8942 0.1728 0.2003 0.2243 0.2902 0.3240 0.3557 0.4661 0.5105 0.5666 0.6528 0.7498 0.7839 0.8802 0.9392 0.9979 1.0876 1.1590 1.2084 1.3098 1.3709 1.3950 1.4452 1.6335 1.6382 2.0350 2.0663 2.4627 2.5093 2.6072 2.6678 3.1595 3.2088 3.3834 3.4166 3.5241 3.5541 3.6408 3.6481 3.8046 3.8197 3.9306 3.9703 6.0754 6.0982 7.8886 7.9133 8.1360 8.1951 9.5228 9.7389 9.9805 10.0099 10.0650 10.1206 k =-0.1111 0.1571 0.8660 ( 11396 PWs) bands (ev): -8.0840 -8.0834 -8.0367 -8.0325 -8.0246 -8.0211 -8.0061 -8.0050 -3.1780 -3.1702 -3.1555 -3.1491 -1.6533 -1.6395 -1.5092 -1.4879 -1.4441 -1.4419 -0.8959 -0.8915 0.1760 0.2020 0.2279 0.2970 0.3246 0.3600 0.4627 0.5101 0.5592 0.6465 0.7583 0.7978 0.8929 0.9528 0.9961 1.0934 1.1646 1.2251 1.3120 1.3758 1.4022 1.4559 1.6361 1.6421 2.0405 2.0764 2.4505 2.5055 2.6052 2.6709 3.1282 3.1899 3.3627 3.4066 3.5094 3.5445 3.6160 3.6207 3.7942 3.8093 3.9197 3.9649 6.1012 6.1283 7.9152 7.9427 8.1645 8.2331 9.4662 9.6918 9.8951 9.9424 10.0884 10.1398 k =-0.1250 0.1768 0.8660 ( 11380 PWs) bands (ev): -8.0856 -8.0850 -8.0407 -8.0364 -8.0228 -8.0192 -8.0030 -8.0018 -3.1791 -3.1703 -3.1563 -3.1495 -1.6560 -1.6413 -1.5112 -1.4875 -1.4465 -1.4433 -0.8928 -0.8892 0.1798 0.2033 0.2330 0.3019 0.3272 0.3646 0.4594 0.5085 0.5538 0.6407 0.7676 0.8122 0.9052 0.9650 0.9958 1.0986 1.1713 1.2439 1.3155 1.3792 1.4127 1.4679 1.6391 1.6470 2.0470 2.0876 2.4376 2.5014 2.6035 2.6731 3.0930 3.1679 3.3397 3.3967 3.4932 3.5347 3.5906 3.5922 3.7838 3.7991 3.9083 3.9588 6.1289 6.1604 7.9432 7.9736 8.1926 8.2700 9.4025 9.6302 9.7934 9.8540 10.0853 10.1631 k =-0.1250 0.1768 0.8660 ( 11380 PWs) bands (ev): -8.0856 -8.0850 -8.0407 -8.0364 -8.0228 -8.0192 -8.0030 -8.0018 -3.1791 -3.1703 -3.1563 -3.1495 -1.6560 -1.6413 -1.5112 -1.4875 -1.4465 -1.4433 -0.8928 -0.8892 0.1798 0.2033 0.2330 0.3019 0.3272 0.3646 0.4594 0.5085 0.5538 0.6407 0.7676 0.8122 0.9052 0.9650 0.9958 1.0986 1.1713 1.2439 1.3155 1.3792 1.4127 1.4679 1.6391 1.6470 2.0470 2.0876 2.4376 2.5014 2.6035 2.6731 3.0930 3.1679 3.3397 3.3967 3.4932 3.5347 3.5906 3.5922 3.7838 3.7991 3.9083 3.9588 6.1289 6.1604 7.9432 7.9736 8.1926 8.2700 9.4025 9.6302 9.7934 9.8540 10.0853 10.1631 k =-0.1349 0.1907 0.8489 ( 11388 PWs) bands (ev): -8.0872 -8.0864 -8.0440 -8.0395 -8.0235 -8.0197 -7.9993 -7.9961 -3.1799 -3.1704 -3.1568 -3.1500 -1.6570 -1.6436 -1.5123 -1.4871 -1.4486 -1.4445 -0.8909 -0.8876 0.1823 0.2033 0.2355 0.3059 0.3308 0.3698 0.4556 0.5052 0.5535 0.6332 0.7794 0.8249 0.9086 0.9733 1.0021 1.1012 1.1792 1.2582 1.3154 1.3788 1.4223 1.4807 1.6378 1.6491 2.0575 2.0963 2.4009 2.5229 2.5805 2.6969 3.0745 3.1594 3.3108 3.3817 3.4646 3.5243 3.5667 3.5841 3.7697 3.7998 3.9024 3.9565 6.1508 6.1872 7.9721 7.9934 8.2070 8.2969 9.3581 9.5793 9.7149 9.7769 10.0836 10.1717 k =-0.1448 0.2047 0.8318 ( 11394 PWs) bands (ev): -8.0891 -8.0882 -8.0472 -8.0426 -8.0258 -8.0220 -7.9931 -7.9887 -3.1808 -3.1705 -3.1573 -3.1505 -1.6581 -1.6459 -1.5136 -1.4867 -1.4508 -1.4458 -0.8887 -0.8858 0.1855 0.2033 0.2395 0.3082 0.3354 0.3757 0.4517 0.5009 0.5557 0.6273 0.7919 0.8365 0.9114 0.9776 1.0129 1.1022 1.1878 1.2714 1.3176 1.3788 1.4333 1.4938 1.6322 1.6550 2.0708 2.1085 2.3653 2.5449 2.5577 2.7191 3.0515 3.1465 3.2825 3.3642 3.4320 3.5117 3.5426 3.5775 3.7530 3.8011 3.8952 3.9536 6.1759 6.2190 8.0033 8.0168 8.2210 8.3241 9.3050 9.5187 9.6386 9.7035 10.0783 10.1789 k =-0.1546 0.2187 0.8147 ( 11400 PWs) bands (ev): -8.0912 -8.0902 -8.0504 -8.0457 -8.0287 -8.0251 -7.9857 -7.9808 -3.1817 -3.1707 -3.1578 -3.1509 -1.6592 -1.6483 -1.5150 -1.4862 -1.4531 -1.4470 -0.8865 -0.8838 0.1893 0.2036 0.2442 0.3095 0.3405 0.3822 0.4475 0.4959 0.5600 0.6231 0.8045 0.8465 0.9136 0.9797 1.0264 1.1018 1.1965 1.2814 1.3240 1.3801 1.4452 1.5070 1.6273 1.6604 2.0864 2.1238 2.3317 2.5358 2.5664 2.7378 3.0249 3.1296 3.2560 3.3441 3.3980 3.4958 3.5186 3.5700 3.7356 3.8027 3.8871 3.9503 6.2039 6.2546 8.0343 8.0457 8.2349 8.3515 9.2430 9.4458 9.5699 9.6411 10.0724 10.1820 k =-0.1645 0.2326 0.7976 ( 11404 PWs) bands (ev): -8.0935 -8.0923 -8.0535 -8.0488 -8.0316 -8.0283 -7.9781 -7.9728 -3.1826 -3.1710 -3.1582 -3.1513 -1.6602 -1.6507 -1.5164 -1.4857 -1.4554 -1.4483 -0.8842 -0.8816 0.1937 0.2045 0.2494 0.3102 0.3453 0.3890 0.4431 0.4909 0.5662 0.6208 0.8169 0.8546 0.9158 0.9808 1.0414 1.1004 1.2048 1.2868 1.3355 1.3829 1.4580 1.5203 1.6239 1.6652 2.1035 2.1418 2.3009 2.5154 2.5866 2.7510 2.9966 3.1097 3.2317 3.3214 3.3639 3.4761 3.4941 3.5610 3.7189 3.8046 3.8786 3.9469 6.2345 6.2929 8.0623 8.0815 8.2489 8.3793 9.1741 9.3621 9.5127 9.5883 10.0660 10.1775 k =-0.1744 0.2466 0.7805 ( 11412 PWs) bands (ev): -8.0958 -8.0945 -8.0566 -8.0517 -8.0344 -8.0315 -7.9705 -7.9650 -3.1834 -3.1714 -3.1585 -3.1517 -1.6613 -1.6531 -1.5180 -1.4852 -1.4578 -1.4494 -0.8822 -0.8790 0.1986 0.2063 0.2547 0.3106 0.3496 0.3956 0.4386 0.4859 0.5739 0.6204 0.8281 0.8610 0.9183 0.9812 1.0573 1.0983 1.2122 1.2892 1.3504 1.3870 1.4717 1.5341 1.6227 1.6694 2.1208 2.1619 2.2739 2.4967 2.6048 2.7564 2.9693 3.0883 3.2094 3.2957 3.3305 3.4526 3.4690 3.5501 3.7040 3.8070 3.8701 3.9437 6.2671 6.3327 8.0898 8.1211 8.2633 8.4081 9.1011 9.2728 9.4653 9.5418 10.0586 10.1645 k =-0.1842 0.2605 0.7634 ( 11405 PWs) bands (ev): -8.0982 -8.0967 -8.0594 -8.0546 -8.0372 -8.0346 -7.9631 -7.9574 -3.1843 -3.1718 -3.1589 -3.1521 -1.6624 -1.6553 -1.5196 -1.4847 -1.4601 -1.4505 -0.8802 -0.8762 0.2037 0.2090 0.2600 0.3108 0.3532 0.4018 0.4340 0.4814 0.5828 0.6218 0.8369 0.8668 0.9213 0.9810 1.0739 1.0956 1.2189 1.2905 1.3666 1.3923 1.4865 1.5484 1.6241 1.6731 2.1363 2.1829 2.2532 2.4798 2.6199 2.7517 2.9460 3.0667 3.1889 3.2672 3.2986 3.4255 3.4434 3.5372 3.6916 3.8096 3.8620 3.9408 6.3009 6.3733 8.1172 8.1627 8.2783 8.4383 9.0270 9.1828 9.4248 9.4998 10.0491 10.1442 k =-0.1941 0.2745 0.7463 ( 11393 PWs) bands (ev): -8.1005 -8.0989 -8.0622 -8.0573 -8.0397 -8.0375 -7.9560 -7.9502 -3.1851 -3.1723 -3.1592 -3.1524 -1.6638 -1.6572 -1.5212 -1.4842 -1.4623 -1.4515 -0.8783 -0.8734 0.2087 0.2129 0.2652 0.3110 0.3562 0.4073 0.4294 0.4775 0.5922 0.6254 0.8416 0.8733 0.9249 0.9800 1.0894 1.0938 1.2250 1.2918 1.3819 1.3986 1.5023 1.5637 1.6280 1.6763 2.1460 2.2022 2.2447 2.4648 2.6305 2.7366 2.9286 3.0460 3.1696 3.2370 3.2680 3.3950 3.4178 3.5229 3.6818 3.8124 3.8546 3.9385 6.3353 6.4137 8.1443 8.2051 8.2942 8.4704 8.9543 9.0951 9.3891 9.4610 10.0366 10.1188 k =-0.2040 0.2884 0.7293 ( 11398 PWs) bands (ev): -8.1027 -8.1011 -8.0647 -8.0598 -8.0421 -8.0403 -7.9493 -7.9433 -3.1860 -3.1728 -3.1595 -3.1526 -1.6654 -1.6587 -1.5229 -1.4838 -1.4645 -1.4524 -0.8765 -0.8704 0.2132 0.2182 0.2701 0.3110 0.3582 0.4114 0.4255 0.4746 0.6013 0.6312 0.8420 0.8807 0.9292 0.9783 1.0881 1.1080 1.2310 1.2936 1.3932 1.4083 1.5191 1.5800 1.6341 1.6791 2.1455 2.2165 2.2550 2.4516 2.6354 2.7136 2.9169 3.0261 3.1492 3.2092 3.2381 3.3615 3.3929 3.5076 3.6744 3.8146 3.8486 3.9367 6.3695 6.4530 8.1708 8.2470 8.3118 8.5045 8.8849 9.0114 9.3572 9.4251 10.0202 10.0908 k =-0.2138 0.3024 0.7122 ( 11396 PWs) bands (ev): -8.1048 -8.1032 -8.0671 -8.0622 -8.0443 -8.0428 -7.9430 -7.9369 -3.1867 -3.1734 -3.1597 -3.1528 -1.6673 -1.6597 -1.5246 -1.4835 -1.4665 -1.4531 -0.8748 -0.8676 0.2178 0.2242 0.2748 0.3111 0.3595 0.4117 0.4245 0.4727 0.6093 0.6395 0.8394 0.8877 0.9343 0.9759 1.0839 1.1234 1.2376 1.2966 1.3988 1.4222 1.5367 1.5974 1.6419 1.6816 2.1367 2.2299 2.2773 2.4399 2.6337 2.6872 2.9100 3.0063 3.1232 3.1887 3.2090 3.3260 3.3693 3.4920 3.6689 3.8156 3.8445 3.9354 6.4028 6.4906 8.1964 8.2862 8.3326 8.5405 8.8204 8.9330 9.3285 9.3918 9.9984 10.0626 k =-0.2237 0.3163 0.6951 ( 11394 PWs) bands (ev): -8.1068 -8.1051 -8.0693 -8.0643 -8.0463 -8.0452 -7.9373 -7.9310 -3.1874 -3.1740 -3.1600 -3.1530 -1.6694 -1.6603 -1.5263 -1.4833 -1.4683 -1.4538 -0.8731 -0.8647 0.2225 0.2307 0.2793 0.3112 0.3599 0.4075 0.4274 0.4719 0.6162 0.6496 0.8349 0.8932 0.9401 0.9730 1.0791 1.1371 1.2452 1.3009 1.4018 1.4375 1.5542 1.6156 1.6508 1.6842 2.1251 2.2439 2.3031 2.4289 2.6260 2.6616 2.9064 2.9864 3.0903 3.1742 3.1828 3.2896 3.3480 3.4767 3.6649 3.8145 3.8431 3.9346 6.4347 6.5258 8.2207 8.3190 8.3592 8.5781 8.7618 8.8608 9.3028 9.3614 9.9700 10.0366 k =-0.2336 0.3303 0.6780 ( 11401 PWs) bands (ev): -8.1087 -8.1070 -8.0713 -8.0663 -8.0481 -8.0473 -7.9320 -7.9257 -3.1881 -3.1746 -3.1603 -3.1531 -1.6715 -1.6606 -1.5280 -1.4831 -1.4699 -1.4543 -0.8716 -0.8621 0.2274 0.2373 0.2835 0.3113 0.3596 0.4015 0.4318 0.4718 0.6222 0.6607 0.8294 0.8969 0.9465 0.9698 1.0738 1.1481 1.2540 1.3070 1.4035 1.4529 1.5709 1.6339 1.6601 1.6873 2.1138 2.2572 2.3291 2.4178 2.6139 2.6407 2.9036 2.9678 3.0533 3.1511 3.1693 3.2545 3.3304 3.4620 3.6620 3.8115 3.8441 3.9342 6.4646 6.5580 8.2432 8.3442 8.3913 8.6162 8.7105 8.7959 9.2802 9.3340 9.9353 10.0135 k =-0.2434 0.3442 0.6609 ( 11396 PWs) bands (ev): -8.1104 -8.1087 -8.0730 -8.0680 -8.0497 -8.0492 -7.9273 -7.9209 -3.1887 -3.1751 -3.1605 -3.1531 -1.6737 -1.6606 -1.5297 -1.4830 -1.4713 -1.4547 -0.8702 -0.8596 0.2323 0.2441 0.2874 0.3114 0.3587 0.3948 0.4366 0.4723 0.6276 0.6717 0.8233 0.8987 0.9532 0.9666 1.0680 1.1565 1.2637 1.3151 1.4047 1.4681 1.5853 1.6516 1.6693 1.6919 2.1042 2.2683 2.3527 2.4067 2.5993 2.6283 2.8963 2.9543 3.0147 3.1272 3.1542 3.2247 3.3180 3.4482 3.6597 3.8074 3.8464 3.9340 6.4919 6.5868 8.2636 8.3648 8.4234 8.6513 8.6704 8.7397 9.2608 9.3102 9.8962 9.9924 k =-0.2533 0.3582 0.6438 ( 11400 PWs) bands (ev): -8.1119 -8.1102 -8.0745 -8.0695 -8.0511 -8.0508 -7.9232 -7.9167 -3.1892 -3.1756 -3.1608 -3.1531 -1.6757 -1.6605 -1.5313 -1.4830 -1.4725 -1.4549 -0.8689 -0.8573 0.2371 0.2508 0.2911 0.3117 0.3574 0.3880 0.4417 0.4730 0.6322 0.6821 0.8171 0.8988 0.9596 0.9635 1.0619 1.1625 1.2732 1.3250 1.4058 1.4830 1.5961 1.6677 1.6779 1.6991 2.0967 2.2763 2.3684 2.4002 2.5845 2.6262 2.8809 2.9477 2.9763 3.1074 3.1292 3.2033 3.3118 3.4355 3.6578 3.8028 3.8492 3.9338 6.5164 6.6119 8.2814 8.3821 8.4503 8.6313 8.6907 8.6972 9.2445 9.2906 9.8551 9.9723 k =-0.2632 0.3721 0.6267 ( 11407 PWs) bands (ev): -8.1132 -8.1116 -8.0758 -8.0707 -8.0524 -8.0521 -7.9196 -7.9131 -3.1897 -3.1761 -3.1611 -3.1530 -1.6777 -1.6601 -1.5328 -1.4831 -1.4734 -1.4551 -0.8677 -0.8552 0.2414 0.2575 0.2944 0.3119 0.3558 0.3814 0.4470 0.4737 0.6361 0.6914 0.8110 0.8975 0.9609 0.9657 1.0554 1.1664 1.2818 1.3360 1.4075 1.4974 1.6026 1.6813 1.6855 1.7092 2.0911 2.2796 2.3688 2.4069 2.5731 2.6327 2.8605 2.9334 2.9499 3.0897 3.1003 3.1878 3.3116 3.4242 3.6563 3.7981 3.8520 3.9335 6.5377 6.6333 8.2962 8.3953 8.4679 8.6054 8.6651 8.7277 9.2315 9.2760 9.8137 9.9526 k =-0.2730 0.3861 0.6096 ( 11406 PWs) bands (ev): -8.1143 -8.1127 -8.0768 -8.0717 -8.0536 -8.0530 -7.9168 -7.9102 -3.1900 -3.1765 -3.1613 -3.1530 -1.6795 -1.6596 -1.5343 -1.4832 -1.4741 -1.4551 -0.8668 -0.8534 0.2452 0.2641 0.2974 0.3122 0.3540 0.3753 0.4526 0.4741 0.6389 0.6992 0.8055 0.8951 0.9590 0.9710 1.0487 1.1690 1.2892 1.3466 1.4105 1.5110 1.6053 1.6899 1.6941 1.7208 2.0872 2.2765 2.3664 2.4168 2.5682 2.6446 2.8395 2.8981 2.9455 3.0566 3.0918 3.1748 3.3158 3.4144 3.6548 3.7935 3.8544 3.9329 6.5555 6.6508 8.3079 8.4025 8.4749 8.5833 8.6567 8.7583 9.2218 9.2671 9.7740 9.9331 k =-0.2829 0.4001 0.5925 ( 11414 PWs) bands (ev): -8.1152 -8.1137 -8.0776 -8.0725 -8.0545 -8.0537 -7.9145 -7.9079 -3.1903 -3.1768 -3.1616 -3.1528 -1.6811 -1.6590 -1.5356 -1.4833 -1.4746 -1.4551 -0.8660 -0.8520 0.2483 0.2705 0.2999 0.3124 0.3522 0.3699 0.4584 0.4743 0.6404 0.7053 0.8006 0.8918 0.9577 0.9755 1.0420 1.1705 1.2953 1.3551 1.4154 1.5232 1.6056 1.6934 1.7036 1.7316 2.0849 2.2679 2.3699 2.4229 2.5703 2.6569 2.8222 2.8634 2.9419 3.0200 3.0941 3.1633 3.3227 3.4065 3.6534 3.7890 3.8562 3.9319 6.5697 6.6644 8.3170 8.4025 8.4751 8.5637 8.6652 8.7837 9.2158 9.2642 9.7380 9.9143 k =-0.2928 0.4140 0.5754 ( 11407 PWs) bands (ev): -8.1159 -8.1144 -8.0781 -8.0730 -8.0552 -8.0541 -7.9129 -7.9062 -3.1905 -3.1771 -3.1618 -3.1527 -1.6825 -1.6582 -1.5368 -1.4834 -1.4749 -1.4550 -0.8653 -0.8508 0.2505 0.2767 0.3013 0.3127 0.3502 0.3659 0.4642 0.4742 0.6404 0.7099 0.7965 0.8880 0.9572 0.9792 1.0352 1.1713 1.3003 1.3602 1.4222 1.5331 1.6052 1.6948 1.7108 1.7400 2.0841 2.2571 2.3789 2.4260 2.5774 2.6635 2.8132 2.8318 2.9394 2.9847 3.1029 3.1539 3.3307 3.4008 3.6520 3.7847 3.8572 3.9305 6.5802 6.6742 8.3243 8.3964 8.4733 8.5471 8.6814 8.8027 9.2137 9.2667 9.7076 9.8972 k =-0.3026 0.4280 0.5583 ( 11407 PWs) bands (ev): -8.1164 -8.1150 -8.0783 -8.0732 -8.0556 -8.0543 -7.9119 -7.9053 -3.1906 -3.1773 -3.1620 -3.1526 -1.6836 -1.6574 -1.5377 -1.4834 -1.4750 -1.4547 -0.8649 -0.8500 0.2518 0.2824 0.3011 0.3137 0.3481 0.3635 0.4693 0.4745 0.6386 0.7130 0.7931 0.8841 0.9574 0.9819 1.0287 1.1713 1.3041 1.3622 1.4298 1.5395 1.6054 1.6942 1.7148 1.7449 2.0849 2.2472 2.3914 2.4289 2.5859 2.6590 2.8043 2.8169 2.9394 2.9532 3.1162 3.1472 3.3386 3.3977 3.6505 3.7806 3.8575 3.9286 6.5867 6.6803 8.3303 8.3868 8.4714 8.5328 8.6984 8.8145 9.2159 9.2738 9.6849 9.8831 k =-0.3125 0.4419 0.5413 ( 11408 PWs) bands (ev): -8.1166 -8.1153 -8.0784 -8.0732 -8.0558 -8.0542 -7.9117 -7.9050 -3.1907 -3.1774 -3.1621 -3.1524 -1.6845 -1.6564 -1.5385 -1.4833 -1.4750 -1.4545 -0.8648 -0.8496 0.2523 0.2872 0.2990 0.3156 0.3457 0.3630 0.4707 0.4780 0.6351 0.7146 0.7903 0.8801 0.9583 0.9835 1.0228 1.1708 1.3065 1.3618 1.4367 1.5420 1.6067 1.6923 1.7154 1.7462 2.0876 2.2400 2.4050 2.4345 2.5910 2.6454 2.7819 2.8312 2.9196 2.9516 3.1325 3.1438 3.3457 3.3977 3.6489 3.7768 3.8568 3.9263 6.5892 6.6827 8.3354 8.3760 8.4703 8.5207 8.7121 8.8188 9.2220 9.2842 9.6719 9.8731 k =-0.3125 0.4419 0.5413 ( 11408 PWs) bands (ev): -8.1166 -8.1153 -8.0784 -8.0732 -8.0558 -8.0542 -7.9117 -7.9050 -3.1907 -3.1774 -3.1621 -3.1524 -1.6845 -1.6564 -1.5385 -1.4833 -1.4750 -1.4545 -0.8648 -0.8496 0.2523 0.2872 0.2990 0.3156 0.3457 0.3630 0.4707 0.4780 0.6351 0.7146 0.7903 0.8801 0.9583 0.9835 1.0228 1.1708 1.3065 1.3618 1.4367 1.5420 1.6067 1.6923 1.7154 1.7462 2.0876 2.2400 2.4050 2.4345 2.5910 2.6454 2.7819 2.8312 2.9196 2.9516 3.1325 3.1438 3.3457 3.3977 3.6489 3.7768 3.8568 3.9263 6.5892 6.6827 8.3354 8.3760 8.4703 8.5207 8.7121 8.8188 9.2220 9.2842 9.6719 9.8731 k =-0.3027 0.4281 0.5243 ( 11404 PWs) bands (ev): -8.1169 -8.1157 -8.0721 -8.0669 -8.0620 -8.0595 -7.9117 -7.9049 -3.1908 -3.1776 -3.1610 -3.1517 -1.6834 -1.6565 -1.5367 -1.4833 -1.4722 -1.4527 -0.8556 -0.8424 0.2526 0.2882 0.2998 0.3102 0.3449 0.3602 0.4702 0.4747 0.6402 0.7267 0.7896 0.8746 0.9544 0.9764 1.0155 1.1630 1.3035 1.3598 1.4348 1.5433 1.5904 1.6792 1.7002 1.7342 2.0836 2.2365 2.3963 2.4254 2.5921 2.6336 2.7735 2.8333 2.9102 2.9633 3.1284 3.1549 3.3704 3.4261 3.6479 3.7753 3.8518 3.9266 6.6030 6.6925 8.3359 8.3862 8.5053 8.5525 8.7514 8.8587 9.3093 9.3742 9.7742 9.9473 k =-0.2930 0.4143 0.5074 ( 11402 PWs) bands (ev): -8.1217 -8.1207 -8.0669 -8.0645 -8.0609 -8.0578 -7.9117 -7.9048 -3.1908 -3.1778 -3.1600 -3.1510 -1.6819 -1.6564 -1.5349 -1.4836 -1.4694 -1.4512 -0.8471 -0.8359 0.2529 0.2880 0.3004 0.3066 0.3435 0.3600 0.4697 0.4718 0.6451 0.7396 0.7886 0.8676 0.9486 0.9649 1.0144 1.1576 1.3010 1.3574 1.4326 1.5423 1.5756 1.6661 1.6847 1.7246 2.0789 2.2335 2.3834 2.4165 2.5832 2.6266 2.7656 2.8375 2.8918 2.9838 3.1296 3.1745 3.3949 3.4587 3.6444 3.7720 3.8448 3.9245 6.6166 6.7007 8.3321 8.3889 8.5439 8.5867 8.7883 8.8947 9.3912 9.4602 9.8639 9.9384 k =-0.2832 0.4005 0.4905 ( 11422 PWs) bands (ev): -8.1306 -8.1299 -8.0628 -8.0620 -8.0554 -8.0513 -7.9117 -7.9047 -3.1906 -3.1780 -3.1589 -3.1504 -1.6802 -1.6563 -1.5331 -1.4841 -1.4667 -1.4499 -0.8392 -0.8299 0.2530 0.2865 0.2984 0.3076 0.3417 0.3618 0.4678 0.4706 0.6495 0.7527 0.7870 0.8598 0.9406 0.9545 1.0150 1.1542 1.2989 1.3546 1.4300 1.5376 1.5637 1.6534 1.6698 1.7168 2.0738 2.2309 2.3677 2.4067 2.5655 2.6243 2.7582 2.8400 2.8774 3.0027 3.1399 3.1996 3.4185 3.4943 3.6385 3.7671 3.8366 3.9199 6.6296 6.7070 8.3242 8.3853 8.5847 8.6223 8.8229 8.9266 9.4651 9.5395 9.8991 9.9433 k =-0.2734 0.3867 0.4736 ( 11420 PWs) bands (ev): -8.1421 -8.1415 -8.0577 -8.0570 -8.0486 -8.0442 -7.9118 -7.9047 -3.1904 -3.1780 -3.1578 -3.1499 -1.6782 -1.6560 -1.5313 -1.4848 -1.4642 -1.4489 -0.8322 -0.8247 0.2525 0.2844 0.2967 0.3102 0.3406 0.3647 0.4649 0.4710 0.6533 0.7657 0.7849 0.8522 0.9316 0.9464 1.0153 1.1525 1.2972 1.3513 1.4271 1.5279 1.5558 1.6412 1.6566 1.7103 2.0684 2.2288 2.3503 2.3955 2.5436 2.6232 2.7511 2.8304 2.8788 3.0187 3.1588 3.2290 3.4402 3.5315 3.6308 3.7604 3.8290 3.9130 6.6416 6.7113 8.3124 8.3764 8.6264 8.6585 8.8552 8.9548 9.5278 9.6080 9.8775 9.9659 k =-0.2637 0.3729 0.4567 ( 11416 PWs) bands (ev): -8.1551 -8.1546 -8.0515 -8.0506 -8.0415 -8.0369 -7.9118 -7.9046 -3.1899 -3.1780 -3.1568 -3.1494 -1.6760 -1.6556 -1.5295 -1.4857 -1.4620 -1.4481 -0.8262 -0.8202 0.2513 0.2825 0.2962 0.3126 0.3410 0.3681 0.4620 0.4719 0.6562 0.7747 0.7851 0.8463 0.9229 0.9397 1.0147 1.1520 1.2956 1.3478 1.4239 1.5152 1.5502 1.6288 1.6458 1.7048 2.0629 2.2273 2.3319 2.3829 2.5201 2.6217 2.7439 2.8124 2.8929 3.0334 3.1836 3.2614 3.4588 3.5679 3.6230 3.7513 3.8246 3.9042 6.6522 6.7130 8.2970 8.3632 8.6679 8.6943 8.8861 8.9803 9.5760 9.6608 9.8518 9.9630 k =-0.2539 0.3591 0.4398 ( 11398 PWs) bands (ev): -8.1688 -8.1684 -8.0445 -8.0436 -8.0342 -8.0296 -7.9117 -7.9046 -3.1894 -3.1780 -3.1557 -3.1490 -1.6735 -1.6551 -1.5278 -1.4867 -1.4599 -1.4476 -0.8215 -0.8163 0.2491 0.2815 0.2970 0.3141 0.3434 0.3720 0.4593 0.4732 0.6580 0.7723 0.7946 0.8431 0.9154 0.9341 1.0132 1.1525 1.2940 1.3442 1.4202 1.5015 1.5448 1.6165 1.6378 1.7003 2.0576 2.2260 2.3133 2.3697 2.4960 2.6191 2.7365 2.7936 2.9124 3.0489 3.2104 3.2956 3.4727 3.5913 3.6263 3.7393 3.8265 3.8944 6.6609 6.7119 8.2786 8.3464 8.7078 8.7286 8.9165 9.0041 9.6068 9.6937 9.8223 9.9455 k =-0.2441 0.3453 0.4229 ( 11398 PWs) bands (ev): -8.1830 -8.1826 -8.0371 -8.0362 -8.0268 -8.0222 -7.9117 -7.9046 -3.1887 -3.1778 -3.1548 -3.1486 -1.6708 -1.6544 -1.5262 -1.4878 -1.4581 -1.4474 -0.8181 -0.8131 0.2460 0.2814 0.2985 0.3152 0.3474 0.3762 0.4570 0.4751 0.6588 0.7660 0.8051 0.8429 0.9093 0.9295 1.0110 1.1535 1.2919 1.3410 1.4160 1.4880 1.5391 1.6045 1.6320 1.6965 2.0526 2.2246 2.2949 2.3567 2.4719 2.6149 2.7284 2.7765 2.9350 3.0664 3.2359 3.3303 3.4811 3.5879 3.6524 3.7270 3.8365 3.8849 6.6669 6.7075 8.2577 8.3266 8.7447 8.7604 8.9479 9.0278 9.6169 9.7071 9.7839 9.9193 k =-0.2344 0.3314 0.4059 ( 11410 PWs) bands (ev): -8.1973 -8.1969 -8.0294 -8.0286 -8.0194 -8.0149 -7.9117 -7.9046 -3.1879 -3.1776 -3.1538 -3.1484 -1.6679 -1.6536 -1.5247 -1.4891 -1.4566 -1.4474 -0.8160 -0.8106 0.2426 0.2820 0.3006 0.3168 0.3523 0.3807 0.4550 0.4775 0.6584 0.7588 0.8137 0.8454 0.9041 0.9265 1.0083 1.1549 1.2889 1.3386 1.4109 1.4751 1.5329 1.5933 1.6279 1.6936 2.0480 2.2222 2.2778 2.3449 2.4481 2.6086 2.7194 2.7623 2.9595 3.0865 3.2567 3.3635 3.4833 3.5800 3.6699 3.7254 3.8546 3.8784 6.6695 6.6993 8.2350 8.3048 8.7769 8.7887 8.9816 9.0529 9.6040 9.7058 9.7314 9.8876 k =-0.2246 0.3176 0.3890 ( 11398 PWs) bands (ev): -8.2117 -8.2113 -8.0217 -8.0209 -8.0119 -8.0076 -7.9117 -7.9046 -3.1870 -3.1773 -3.1530 -3.1481 -1.6648 -1.6526 -1.5233 -1.4904 -1.4554 -1.4476 -0.8152 -0.8090 0.2391 0.2828 0.3026 0.3198 0.3576 0.3857 0.4536 0.4806 0.6571 0.7519 0.8195 0.8499 0.8995 0.9258 1.0057 1.1566 1.2846 1.3375 1.4049 1.4636 1.5263 1.5833 1.6252 1.6914 2.0438 2.2172 2.2635 2.3352 2.4250 2.6000 2.7099 2.7514 2.9847 3.1090 3.2698 3.3925 3.4786 3.5768 3.6644 3.7424 3.8793 3.8800 6.6679 6.6870 8.2113 8.2815 8.8029 8.8134 9.0179 9.0804 9.5680 9.6625 9.6969 9.8537 k =-0.2149 0.3038 0.3721 ( 11394 PWs) bands (ev): -8.2260 -8.2256 -8.0139 -8.0133 -8.0045 -8.0003 -7.9116 -7.9047 -3.1861 -3.1769 -3.1522 -3.1480 -1.6616 -1.6515 -1.5220 -1.4918 -1.4545 -1.4481 -0.8156 -0.8085 0.2357 0.2835 0.3047 0.3248 0.3627 0.3911 0.4528 0.4843 0.6549 0.7461 0.8223 0.8556 0.8952 0.9272 1.0037 1.1583 1.2791 1.3377 1.3975 1.4537 1.5195 1.5746 1.6236 1.6902 2.0399 2.2084 2.2536 2.3282 2.4027 2.5890 2.7006 2.7433 3.0093 3.1332 3.2728 3.4137 3.4680 3.5793 3.6548 3.7598 3.8941 3.9103 6.6610 6.6704 8.1876 8.2575 8.8226 8.8340 9.0563 9.1103 9.5128 9.5827 9.6815 9.8204 k =-0.2051 0.2900 0.3552 ( 11410 PWs) bands (ev): -8.2401 -8.2397 -8.0061 -8.0056 -7.9972 -7.9932 -7.9115 -7.9047 -3.1850 -3.1765 -3.1514 -3.1478 -1.6583 -1.6502 -1.5208 -1.4932 -1.4539 -1.4487 -0.8169 -0.8090 0.2324 0.2837 0.3072 0.3314 0.3674 0.3969 0.4527 0.4886 0.6519 0.7416 0.8222 0.8614 0.8917 0.9296 1.0030 1.1602 1.2724 1.3391 1.3887 1.4456 1.5124 1.5670 1.6230 1.6900 2.0363 2.1960 2.2476 2.3243 2.3818 2.5755 2.6924 2.7373 3.0315 3.1581 3.2654 3.4230 3.4550 3.5800 3.6579 3.7720 3.9225 3.9451 6.6455 6.6515 8.1645 8.2336 8.8370 8.8498 9.0937 9.1415 9.4453 9.4966 9.6624 9.7896 k =-0.1953 0.2762 0.3383 ( 11404 PWs) bands (ev): -8.2539 -8.2536 -7.9984 -7.9981 -7.9899 -7.9862 -7.9115 -7.9048 -3.1838 -3.1760 -3.1508 -3.1477 -1.6549 -1.6488 -1.5198 -1.4947 -1.4536 -1.4495 -0.8192 -0.8107 0.2294 0.2834 0.3107 0.3395 0.3718 0.4029 0.4536 0.4936 0.6483 0.7387 0.8201 0.8654 0.8912 0.9312 1.0044 1.1622 1.2650 1.3414 1.3788 1.4392 1.5055 1.5605 1.6237 1.6909 2.0330 2.1820 2.2442 2.3229 2.3628 2.5599 2.6856 2.7328 3.0491 3.1816 3.2490 3.4184 3.4449 3.5714 3.6805 3.7850 3.9601 3.9830 6.6189 6.6320 8.1429 8.2103 8.8475 8.8604 9.1226 9.1703 9.3753 9.4128 9.6415 9.7621 k =-0.1856 0.2624 0.3214 ( 11400 PWs) bands (ev): -8.2675 -8.2671 -7.9909 -7.9908 -7.9828 -7.9793 -7.9114 -7.9049 -3.1826 -3.1755 -3.1502 -3.1477 -1.6514 -1.6473 -1.5189 -1.4962 -1.4538 -1.4504 -0.8224 -0.8134 0.2268 0.2824 0.3152 0.3486 0.3759 0.4089 0.4556 0.4993 0.6442 0.7371 0.8166 0.8656 0.8955 0.9310 1.0080 1.1644 1.2570 1.3439 1.3685 1.4341 1.4990 1.5548 1.6257 1.6932 2.0299 2.1681 2.2419 2.3213 2.3483 2.5424 2.6803 2.7294 3.0596 3.1970 3.2291 3.4059 3.4383 3.5566 3.7161 3.8039 4.0024 4.0228 6.5857 6.6066 8.1234 8.1880 8.8547 8.8653 9.1255 9.1830 9.3200 9.3505 9.6212 9.7383 k =-0.1758 0.2486 0.3045 ( 11406 PWs) bands (ev): -8.2806 -8.2803 -7.9836 -7.9835 -7.9758 -7.9727 -7.9113 -7.9050 -3.1813 -3.1749 -3.1497 -3.1477 -1.6479 -1.6456 -1.5181 -1.4977 -1.4543 -1.4512 -0.8265 -0.8172 0.2243 0.2809 0.3208 0.3585 0.3798 0.4145 0.4586 0.5056 0.6397 0.7367 0.8124 0.8629 0.9035 0.9287 1.0132 1.1669 1.2489 1.3451 1.3596 1.4299 1.4931 1.5494 1.6291 1.6968 2.0270 2.1551 2.2399 2.3148 2.3429 2.5235 2.6761 2.7269 3.0605 3.1823 3.2255 3.3932 3.4362 3.5398 3.7588 3.8306 4.0469 4.0638 6.5467 6.5743 8.1061 8.1670 8.8587 8.8630 9.0842 9.1483 9.3044 9.3379 9.6047 9.7190 k =-0.1660 0.2348 0.2875 ( 11418 PWs) bands (ev): -8.2934 -8.2930 -7.9767 -7.9763 -7.9690 -7.9662 -7.9112 -7.9052 -3.1800 -3.1743 -3.1493 -3.1477 -1.6445 -1.6438 -1.5175 -1.4991 -1.4552 -1.4520 -0.8312 -0.8218 0.2222 0.2791 0.3273 0.3687 0.3838 0.4197 0.4627 0.5125 0.6350 0.7369 0.8082 0.8594 0.9134 0.9248 1.0192 1.1698 1.2409 1.3399 1.3572 1.4262 1.4881 1.5443 1.6342 1.7020 2.0245 2.1435 2.2373 2.3050 2.3453 2.5034 2.6728 2.7251 3.0509 3.1481 3.2236 3.3830 3.4415 3.5257 3.8054 3.8640 4.0923 4.1055 6.5021 6.5349 8.0912 8.1474 8.8488 8.8602 9.0140 9.0815 9.3160 9.3621 9.5952 9.7050 k =-0.1563 0.2210 0.2706 ( 11384 PWs) bands (ev): -8.3056 -8.3053 -7.9700 -7.9694 -7.9625 -7.9599 -7.9111 -7.9053 -3.1787 -3.1737 -3.1489 -3.1477 -1.6421 -1.6408 -1.5170 -1.5005 -1.4565 -1.4529 -0.8365 -0.8272 0.2204 0.2770 0.3345 0.3788 0.3884 0.4246 0.4678 0.5200 0.6302 0.7370 0.8048 0.8562 0.9198 0.9243 1.0250 1.1730 1.2333 1.3301 1.3599 1.4230 1.4844 1.5393 1.6411 1.7090 2.0224 2.1337 2.2325 2.2976 2.3505 2.4822 2.6702 2.7240 3.0315 3.1085 3.2091 3.3722 3.4555 3.5208 3.8546 3.9027 4.1376 4.1474 6.4522 6.4888 8.0783 8.1293 8.8169 8.8535 8.9391 9.0190 9.3306 9.3977 9.5955 9.6972 k =-0.1465 0.2072 0.2537 ( 11372 PWs) bands (ev): -8.3174 -8.3171 -7.9636 -7.9628 -7.9561 -7.9539 -7.9110 -7.9055 -3.1774 -3.1730 -3.1486 -3.1478 -1.6402 -1.6375 -1.5166 -1.5019 -1.4579 -1.4537 -0.8424 -0.8333 0.2187 0.2746 0.3424 0.3868 0.3952 0.4292 0.4735 0.5278 0.6253 0.7360 0.8030 0.8536 0.9144 0.9353 1.0302 1.1764 1.2263 1.3196 1.3639 1.4202 1.4817 1.5342 1.6498 1.7176 2.0209 2.1257 2.2245 2.2950 2.3562 2.4599 2.6677 2.7236 3.0043 3.0664 3.1839 3.3539 3.4778 3.5292 3.9056 3.9453 4.1823 4.1889 6.3973 6.4364 8.0667 8.1125 8.7620 8.8159 8.8911 8.9756 9.3417 9.4330 9.6063 9.6962 k =-0.1367 0.1933 0.2368 ( 11376 PWs) bands (ev): -8.3285 -8.3283 -7.9575 -7.9565 -7.9500 -7.9481 -7.9108 -7.9057 -3.1761 -3.1723 -3.1484 -3.1478 -1.6381 -1.6342 -1.5163 -1.5032 -1.4594 -1.4547 -0.8486 -0.8399 0.2174 0.2721 0.3506 0.3919 0.4048 0.4338 0.4797 0.5357 0.6205 0.7332 0.8033 0.8520 0.9088 0.9462 1.0342 1.1796 1.2203 1.3092 1.3683 1.4181 1.4799 1.5290 1.6605 1.7278 2.0197 2.1195 2.2140 2.2968 2.3617 2.4366 2.6648 2.7238 2.9710 3.0237 3.1527 3.3268 3.5064 3.5489 3.9578 3.9907 4.2258 4.2298 6.3382 6.3784 8.0557 8.0970 8.6909 8.7412 8.8793 8.9489 9.3495 9.4631 9.6260 9.7019 k =-0.1270 0.1795 0.2199 ( 11364 PWs) bands (ev): -8.3391 -8.3389 -7.9517 -7.9505 -7.9443 -7.9427 -7.9107 -7.9058 -3.1748 -3.1716 -3.1483 -3.1479 -1.6361 -1.6310 -1.5161 -1.5045 -1.4609 -1.4558 -0.8552 -0.8469 0.2164 0.2694 0.3592 0.3961 0.4151 0.4386 0.4860 0.5435 0.6158 0.7285 0.8058 0.8516 0.9033 0.9568 1.0371 1.1820 1.2161 1.2994 1.3731 1.4169 1.4790 1.5238 1.6732 1.7397 2.0189 2.1152 2.2023 2.3016 2.3661 2.4125 2.6606 2.7244 2.9330 2.9827 3.1187 3.2941 3.5390 3.5752 4.0110 4.0384 4.2675 4.2703 6.2753 6.3156 8.0442 8.0825 8.6138 8.6593 8.8757 8.9310 9.3557 9.4860 9.6511 9.7128 k =-0.1172 0.1657 0.2030 ( 11360 PWs) bands (ev): -8.3490 -8.3488 -7.9462 -7.9449 -7.9388 -7.9375 -7.9105 -7.9060 -3.1735 -3.1709 -3.1482 -3.1480 -1.6340 -1.6280 -1.5159 -1.5056 -1.4625 -1.4569 -0.8618 -0.8541 0.2156 0.2666 0.3677 0.4001 0.4251 0.4439 0.4923 0.5506 0.6114 0.7221 0.8099 0.8526 0.8985 0.9668 1.0388 1.1827 1.2142 1.2901 1.3781 1.4172 1.4787 1.5186 1.6878 1.7532 2.0183 2.1125 2.1905 2.3079 2.3684 2.3885 2.6540 2.7252 2.8915 2.9460 3.0841 3.2582 3.5733 3.6048 4.0649 4.0877 4.3067 4.3101 6.2095 6.2490 8.0317 8.0688 8.5366 8.5784 8.8742 8.9173 9.3622 9.5020 9.6773 9.7259 k =-0.1074 0.1519 0.1861 ( 11358 PWs) bands (ev): -8.3583 -8.3581 -7.9411 -7.9396 -7.9337 -7.9327 -7.9104 -7.9062 -3.1723 -3.1703 -3.1482 -3.1480 -1.6318 -1.6252 -1.5158 -1.5067 -1.4640 -1.4582 -0.8685 -0.8614 0.2151 0.2636 0.3761 0.4040 0.4345 0.4500 0.4986 0.5566 0.6075 0.7145 0.8149 0.8550 0.8947 0.9760 1.0394 1.1815 1.2147 1.2816 1.3834 1.4190 1.4788 1.5134 1.7043 1.7683 2.0174 2.1109 2.1794 2.3145 2.3573 2.3759 2.6435 2.7253 2.8487 2.9153 3.0502 3.2209 3.6081 3.6356 4.1195 4.1382 4.3436 4.3485 6.1416 6.1795 8.0181 8.0553 8.4622 8.5008 8.8741 8.9064 9.3697 9.5124 9.7006 9.7379 k =-0.0977 0.1381 0.1691 ( 11360 PWs) bands (ev): -8.3669 -8.3667 -7.9364 -7.9348 -7.9290 -7.9282 -7.9102 -7.9064 -3.1712 -3.1696 -3.1482 -3.1481 -1.6297 -1.6227 -1.5158 -1.5078 -1.4653 -1.4594 -0.8751 -0.8687 0.2149 0.2606 0.3843 0.4078 0.4429 0.4568 0.5046 0.5610 0.6043 0.7061 0.8199 0.8582 0.8927 0.9843 1.0393 1.1786 1.2170 1.2741 1.3892 1.4225 1.4794 1.5085 1.7226 1.7850 2.0162 2.1099 2.1700 2.3175 2.3354 2.3755 2.6282 2.7218 2.8094 2.8915 3.0180 3.1834 3.6422 3.6663 4.1743 4.1896 4.3784 4.3847 6.0723 6.1081 8.0036 8.0416 8.3921 8.4276 8.8750 8.8980 9.3784 9.5187 9.7182 9.7464 k =-0.0879 0.1243 0.1522 ( 11360 PWs) bands (ev): -8.3747 -8.3745 -7.9321 -7.9304 -7.9246 -7.9241 -7.9100 -7.9067 -3.1701 -3.1689 -3.1483 -3.1482 -1.6276 -1.6204 -1.5157 -1.5087 -1.4666 -1.4607 -0.8814 -0.8757 0.2151 0.2574 0.3919 0.4115 0.4506 0.4642 0.5103 0.5631 0.6022 0.6973 0.8245 0.8610 0.8940 0.9914 1.0386 1.1747 1.2198 1.2676 1.3957 1.4276 1.4804 1.5038 1.7428 1.8032 2.0142 2.1081 2.1628 2.2999 2.3310 2.3756 2.6079 2.7065 2.7832 2.8747 2.9879 3.1464 3.6749 3.6958 4.2292 4.2415 4.4109 4.4184 6.0027 6.0358 7.9886 8.0272 8.3271 8.3595 8.8771 8.8923 9.3878 9.5219 9.7296 9.7505 k =-0.0781 0.1105 0.1353 ( 11362 PWs) bands (ev): -8.3818 -8.3816 -7.9282 -7.9265 -7.9207 -7.9203 -7.9097 -7.9069 -3.1692 -3.1683 -3.1484 -3.1483 -1.6256 -1.6184 -1.5157 -1.5096 -1.4677 -1.4620 -0.8874 -0.8824 0.2155 0.2542 0.3989 0.4152 0.4579 0.4719 0.5155 0.5629 0.6013 0.6884 0.8285 0.8619 0.8996 0.9972 1.0382 1.1700 1.2224 1.2623 1.4031 1.4338 1.4815 1.4994 1.7646 1.8230 2.0116 2.1045 2.1583 2.2738 2.3326 2.3755 2.5835 2.6759 2.7753 2.8642 2.9604 3.1104 3.7056 3.7235 4.2837 4.2933 4.4410 4.4492 5.9338 5.9639 7.9737 8.0121 8.2678 8.2972 8.8800 8.8891 9.3978 9.5225 9.7356 9.7512 k =-0.0684 0.0967 0.1184 ( 11354 PWs) bands (ev): -8.3881 -8.3879 -7.9247 -7.9230 -7.9173 -7.9169 -7.9095 -7.9071 -3.1683 -3.1677 -3.1485 -3.1483 -1.6236 -1.6167 -1.5156 -1.5104 -1.4686 -1.4632 -0.8930 -0.8886 0.2163 0.2510 0.4053 0.4186 0.4651 0.4796 0.5201 0.5606 0.6015 0.6795 0.8320 0.8611 0.9087 1.0010 1.0389 1.1645 1.2245 1.2581 1.4116 1.4406 1.4829 1.4954 1.7880 1.8444 2.0084 2.0981 2.1556 2.2485 2.3308 2.3755 2.5570 2.6394 2.7772 2.8590 2.9357 3.0760 3.7337 3.7489 4.3371 4.3445 4.4683 4.4770 5.8666 5.8936 7.9595 7.9964 8.2148 8.2410 8.8837 8.8882 9.4079 9.5209 9.7377 9.7498 k =-0.0586 0.0829 0.1015 ( 11358 PWs) bands (ev): -8.3936 -8.3934 -7.9217 -7.9199 -7.9142 -7.9140 -7.9092 -7.9073 -3.1676 -3.1671 -3.1486 -3.1484 -1.6218 -1.6154 -1.5155 -1.5112 -1.4694 -1.4644 -0.8980 -0.8943 0.2173 0.2478 0.4108 0.4218 0.4724 0.4869 0.5239 0.5569 0.6025 0.6706 0.8350 0.8594 0.9198 1.0024 1.0417 1.1581 1.2261 1.2548 1.4212 1.4474 1.4844 1.4917 1.8129 1.8672 2.0049 2.0891 2.1521 2.2265 2.3247 2.3748 2.5312 2.6043 2.7828 2.8578 2.9138 3.0434 3.7589 3.7714 4.3888 4.3940 4.4926 4.5015 5.8025 5.8261 7.9464 7.9807 8.1685 8.1913 8.8875 8.8894 9.4179 9.5174 9.7374 9.7475 k =-0.0488 0.0691 0.0846 ( 11346 PWs) bands (ev): -8.3982 -8.3981 -7.9191 -7.9174 -7.9118 -7.9115 -7.9088 -7.9074 -3.1670 -3.1666 -3.1486 -3.1485 -1.6200 -1.6143 -1.5154 -1.5118 -1.4699 -1.4656 -0.9023 -0.8993 0.2187 0.2445 0.4157 0.4246 0.4799 0.4939 0.5264 0.5522 0.6041 0.6621 0.8377 0.8574 0.9315 1.0014 1.0471 1.1508 1.2275 1.2521 1.4315 1.4538 1.4859 1.4884 1.8390 1.8910 2.0019 2.0774 2.1447 2.2103 2.3152 2.3713 2.5093 2.5738 2.7900 2.8596 2.8947 3.0131 3.7808 3.7909 4.4374 4.4407 4.5138 4.5226 5.7431 5.7631 7.9351 7.9654 8.1291 8.1484 8.8908 8.8925 9.4276 9.5124 9.7361 9.7448 k =-0.0391 0.0552 0.0677 ( 11334 PWs) bands (ev): -8.4021 -8.4020 -7.9169 -7.9154 -7.9100 -7.9095 -7.9082 -7.9074 -3.1665 -3.1661 -3.1487 -3.1485 -1.6184 -1.6136 -1.5152 -1.5124 -1.4703 -1.4666 -0.9060 -0.9036 0.2204 0.2413 0.4198 0.4269 0.4873 0.5004 0.5277 0.5470 0.6065 0.6538 0.8400 0.8553 0.9428 0.9986 1.0549 1.1423 1.2290 1.2495 1.4423 1.4595 1.4853 1.4871 1.8660 1.9153 1.9997 2.0630 2.1331 2.1989 2.3045 2.3631 2.4941 2.5488 2.7979 2.8638 2.8783 2.9853 3.7991 3.8070 4.4814 4.4831 4.5317 4.5402 5.6901 5.7064 7.9259 7.9513 8.0969 8.1125 8.8939 8.8962 9.4371 9.5061 9.7345 9.7420 k =-0.0293 0.0414 0.0507 ( 11350 PWs) bands (ev): -8.4051 -8.4050 -7.9153 -7.9139 -7.9091 -7.9084 -7.9072 -7.9070 -3.1661 -3.1658 -3.1488 -3.1486 -1.6170 -1.6132 -1.5151 -1.5130 -1.4704 -1.4676 -0.9088 -0.9070 0.2223 0.2382 0.4232 0.4285 0.4947 0.5064 0.5274 0.5414 0.6097 0.6459 0.8421 0.8533 0.9532 0.9945 1.0645 1.1328 1.2307 1.2468 1.4529 1.4643 1.4825 1.4873 1.8934 1.9385 1.9986 2.0461 2.1213 2.1872 2.2963 2.3504 2.4866 2.5291 2.8061 2.8640 2.8703 2.9602 3.8138 3.8196 4.5179 4.5197 4.5461 4.5545 5.6457 5.6581 7.9191 7.9388 8.0721 8.0840 8.8971 8.8993 9.4464 9.4988 9.7333 9.7393 k =-0.0195 0.0276 0.0338 ( 11338 PWs) bands (ev): -8.4072 -8.4072 -7.9140 -7.9130 -7.9087 -7.9082 -7.9062 -7.9061 -3.1658 -3.1656 -3.1488 -3.1487 -1.6157 -1.6132 -1.5148 -1.5134 -1.4704 -1.4684 -0.9108 -0.9096 0.2244 0.2351 0.4259 0.4294 0.5019 0.5119 0.5257 0.5358 0.6139 0.6384 0.8441 0.8514 0.9624 0.9896 1.0754 1.1223 1.2329 1.2439 1.4626 1.4686 1.4798 1.4863 1.9205 1.9582 1.9984 2.0270 2.1147 2.1709 2.2940 2.3354 2.4854 2.5141 2.8145 2.8520 2.8786 2.9380 3.8246 3.8284 4.5440 4.5476 4.5580 4.5662 5.6122 5.6206 7.9151 7.9286 8.0549 8.0628 8.8998 8.9016 9.4555 9.4907 9.7327 9.7369 k =-0.0098 0.0138 0.0169 ( 11331 PWs) bands (ev): -8.4085 -8.4085 -7.9131 -7.9126 -7.9084 -7.9081 -7.9055 -7.9055 -3.1656 -3.1655 -3.1488 -3.1487 -1.6147 -1.6134 -1.5146 -1.5139 -1.4701 -1.4692 -0.9119 -0.9113 0.2269 0.2322 0.4279 0.4297 0.5085 0.5158 0.5237 0.5304 0.6190 0.6313 0.8459 0.8495 0.9706 0.9840 1.0872 1.1110 1.2354 1.2410 1.4702 1.4730 1.4771 1.4836 1.9463 1.9710 1.9975 2.0076 2.1177 2.1506 2.2983 2.3205 2.4883 2.5027 2.8230 2.8414 2.8894 2.9188 3.8315 3.8333 4.5579 4.5598 4.5713 4.5756 5.5918 5.5960 7.9140 7.9208 8.0453 8.0493 8.9019 8.9028 9.4646 9.4823 9.7328 9.7350 k = 0.0000 0.0000 0.0000 ( 11279 PWs) bands (ev): -8.4089 -8.4089 -7.9126 -7.9126 -7.9082 -7.9082 -7.9053 -7.9053 -3.1655 -3.1655 -3.1488 -3.1488 -1.6139 -1.6139 -1.5142 -1.5142 -1.4697 -1.4697 -0.9121 -0.9121 0.2295 0.2295 0.4292 0.4292 0.5141 0.5141 0.5258 0.5258 0.6249 0.6249 0.8478 0.8478 0.9777 0.9777 1.0992 1.0992 1.2382 1.2382 1.4743 1.4743 1.4790 1.4790 1.9674 1.9674 1.9970 1.9970 2.1311 2.1311 2.3077 2.3077 2.4942 2.4942 2.8319 2.8319 2.9027 2.9027 3.8344 3.8344 4.5622 4.5622 4.5785 4.5785 5.5862 5.5862 7.9159 7.9159 8.0434 8.0434 8.9029 8.9029 9.4735 9.4735 9.7336 9.7336 k = 0.0000 0.0000 0.0000 ( 11279 PWs) bands (ev): -8.4089 -8.4089 -7.9126 -7.9126 -7.9082 -7.9082 -7.9053 -7.9053 -3.1655 -3.1655 -3.1488 -3.1488 -1.6139 -1.6139 -1.5142 -1.5142 -1.4697 -1.4697 -0.9121 -0.9121 0.2295 0.2295 0.4292 0.4292 0.5141 0.5141 0.5258 0.5258 0.6249 0.6249 0.8478 0.8478 0.9777 0.9777 1.0992 1.0992 1.2382 1.2382 1.4743 1.4743 1.4790 1.4790 1.9674 1.9674 1.9970 1.9970 2.1311 2.1311 2.3077 2.3077 2.4942 2.4942 2.8319 2.8319 2.9027 2.9027 3.8344 3.8344 4.5622 4.5622 4.5785 4.5785 5.5862 5.5862 7.9159 7.9159 8.0434 8.0434 8.9029 8.9029 9.4735 9.4735 9.7336 9.7336 k = 0.0200 0.0141-0.0000 ( 11343 PWs) bands (ev): -8.4085 -8.4085 -7.9127 -7.9127 -7.9086 -7.9086 -7.9053 -7.9053 -3.1655 -3.1655 -3.1488 -3.1488 -1.6142 -1.6142 -1.5143 -1.5143 -1.4698 -1.4698 -0.9126 -0.9126 0.2298 0.2298 0.4289 0.4289 0.5118 0.5118 0.5277 0.5277 0.6253 0.6253 0.8473 0.8473 0.9746 0.9746 1.1014 1.1014 1.2390 1.2390 1.4714 1.4714 1.4830 1.4830 1.9670 1.9670 1.9985 1.9985 2.1321 2.1321 2.3078 2.3078 2.4958 2.4958 2.8328 2.8328 2.9035 2.9035 3.8322 3.8322 4.5556 4.5556 4.5765 4.5765 5.5938 5.5938 7.9147 7.9147 8.0448 8.0448 8.8986 8.8986 9.4641 9.4641 9.7187 9.7187 k = 0.0400 0.0283-0.0000 ( 11340 PWs) bands (ev): -8.4071 -8.4071 -7.9132 -7.9132 -7.9097 -7.9097 -7.9053 -7.9053 -3.1657 -3.1657 -3.1491 -3.1491 -1.6150 -1.6150 -1.5143 -1.5143 -1.4699 -1.4699 -0.9140 -0.9140 0.2309 0.2309 0.4283 0.4283 0.5073 0.5073 0.5318 0.5318 0.6268 0.6268 0.8461 0.8461 0.9664 0.9664 1.1071 1.1071 1.2416 1.2416 1.4681 1.4681 1.4903 1.4903 1.9663 1.9663 2.0028 2.0028 2.1353 2.1353 2.3080 2.3080 2.5004 2.5004 2.8355 2.8355 2.9059 2.9059 3.8257 3.8257 4.5367 4.5367 4.5703 4.5703 5.6159 5.6159 7.9111 7.9111 8.0491 8.0491 8.8860 8.8860 9.4362 9.4362 9.6770 9.6770 k = 0.0600 0.0424-0.0000 ( 11340 PWs) bands (ev): -8.4048 -8.4048 -7.9147 -7.9147 -7.9108 -7.9108 -7.9053 -7.9053 -3.1659 -3.1659 -3.1495 -3.1495 -1.6162 -1.6162 -1.5144 -1.5144 -1.4702 -1.4702 -0.9164 -0.9164 0.2325 0.2325 0.4272 0.4272 0.5020 0.5020 0.5363 0.5363 0.6293 0.6293 0.8440 0.8440 0.9548 0.9548 1.1143 1.1143 1.2465 1.2465 1.4655 1.4655 1.4994 1.4994 1.9656 1.9656 2.0093 2.0093 2.1405 2.1405 2.3085 2.3085 2.5082 2.5082 2.8397 2.8397 2.9101 2.9101 3.8150 3.8150 4.5073 4.5073 4.5598 4.5598 5.6507 5.6507 7.9051 7.9051 8.0559 8.0559 8.8658 8.8658 9.3915 9.3915 9.6149 9.6150 k = 0.0800 0.0566-0.0000 ( 11324 PWs) bands (ev): -8.4017 -8.4017 -7.9179 -7.9179 -7.9113 -7.9113 -7.9054 -7.9054 -3.1662 -3.1662 -3.1500 -3.1500 -1.6179 -1.6179 -1.5145 -1.5145 -1.4706 -1.4706 -0.9196 -0.9196 0.2347 0.2347 0.4255 0.4255 0.4964 0.4965 0.5405 0.5405 0.6332 0.6332 0.8413 0.8413 0.9416 0.9416 1.1208 1.1208 1.2540 1.2540 1.4637 1.4637 1.5103 1.5103 1.9653 1.9653 2.0176 2.0176 2.1476 2.1476 2.3092 2.3092 2.5189 2.5189 2.8453 2.8453 2.9164 2.9164 3.8003 3.8003 4.4695 4.4695 4.5453 4.5453 5.6959 5.6959 7.8970 7.8970 8.0652 8.0652 8.8394 8.8394 9.3324 9.3324 9.5388 9.5388 k = 0.1000 0.0707-0.0000 ( 11332 PWs) bands (ev): -8.3976 -8.3976 -7.9223 -7.9223 -7.9115 -7.9115 -7.9054 -7.9054 -3.1666 -3.1666 -3.1507 -3.1507 -1.6199 -1.6199 -1.5147 -1.5147 -1.4712 -1.4712 -0.9235 -0.9235 0.2372 0.2372 0.4232 0.4232 0.4909 0.4909 0.5440 0.5440 0.6384 0.6384 0.8379 0.8379 0.9280 0.9280 1.1255 1.1255 1.2643 1.2643 1.4624 1.4624 1.5229 1.5229 1.9655 1.9656 2.0273 2.0274 2.1563 2.1563 2.3101 2.3101 2.5324 2.5324 2.8518 2.8518 2.9250 2.9250 3.7816 3.7816 4.4254 4.4254 4.5267 4.5267 5.7491 5.7491 7.8868 7.8869 8.0768 8.0768 8.8083 8.8083 9.2618 9.2618 9.4533 9.4533 k = 0.1200 0.0849-0.0000 ( 11352 PWs) bands (ev): -8.3926 -8.3926 -7.9279 -7.9279 -7.9115 -7.9115 -7.9055 -7.9055 -3.1670 -3.1670 -3.1515 -3.1515 -1.6223 -1.6223 -1.5150 -1.5150 -1.4719 -1.4719 -0.9279 -0.9279 0.2399 0.2399 0.4201 0.4201 0.4855 0.4855 0.5467 0.5467 0.6448 0.6448 0.8339 0.8339 0.9149 0.9149 1.1280 1.1281 1.2771 1.2771 1.4615 1.4615 1.5372 1.5372 1.9663 1.9664 2.0383 2.0383 2.1664 2.1664 2.3115 2.3115 2.5487 2.5487 2.8589 2.8589 2.9364 2.9364 3.7592 3.7592 4.3769 4.3769 4.5043 4.5043 5.8080 5.8080 7.8748 7.8748 8.0904 8.0904 8.7739 8.7739 9.1830 9.1830 9.3620 9.3620 k = 0.1400 0.0990-0.0000 ( 11368 PWs) bands (ev): -8.3868 -8.3868 -7.9344 -7.9344 -7.9116 -7.9116 -7.9056 -7.9056 -3.1675 -3.1675 -3.1524 -3.1524 -1.6250 -1.6250 -1.5154 -1.5154 -1.4728 -1.4728 -0.9328 -0.9328 0.2426 0.2426 0.4161 0.4161 0.4805 0.4805 0.5484 0.5484 0.6522 0.6522 0.8296 0.8296 0.9030 0.9030 1.1287 1.1287 1.2921 1.2921 1.4610 1.4610 1.5530 1.5530 1.9678 1.9678 2.0503 2.0503 2.1776 2.1776 2.3133 2.3133 2.5676 2.5676 2.8664 2.8664 2.9508 2.9508 3.7334 3.7334 4.3253 4.3253 4.4783 4.4783 5.8705 5.8705 7.8612 7.8612 8.1059 8.1059 8.7377 8.7377 9.0988 9.0988 9.2674 9.2674 k = 0.1600 0.1131-0.0000 ( 11380 PWs) bands (ev): -8.3802 -8.3802 -7.9420 -7.9420 -7.9115 -7.9115 -7.9057 -7.9057 -3.1681 -3.1681 -3.1534 -3.1534 -1.6279 -1.6279 -1.5159 -1.5159 -1.4739 -1.4739 -0.9379 -0.9379 0.2453 0.2453 0.4110 0.4110 0.4763 0.4763 0.5490 0.5490 0.6600 0.6600 0.8252 0.8252 0.8927 0.8928 1.1283 1.1283 1.3085 1.3085 1.4609 1.4609 1.5701 1.5701 1.9699 1.9699 2.0630 2.0630 2.1896 2.1896 2.3156 2.3156 2.5890 2.5890 2.8742 2.8742 2.9682 2.9682 3.7046 3.7046 4.2720 4.2720 4.4489 4.4489 5.9348 5.9348 7.8463 7.8463 8.1231 8.1231 8.7010 8.7010 9.0118 9.0118 9.1716 9.1716 k = 0.1800 0.1273-0.0000 ( 11380 PWs) bands (ev): -8.3727 -8.3727 -7.9504 -7.9504 -7.9115 -7.9115 -7.9058 -7.9058 -3.1687 -3.1687 -3.1546 -3.1546 -1.6309 -1.6309 -1.5165 -1.5165 -1.4753 -1.4753 -0.9431 -0.9431 0.2479 0.2479 0.4049 0.4049 0.4728 0.4729 0.5488 0.5488 0.6672 0.6673 0.8210 0.8210 0.8846 0.8846 1.1276 1.1276 1.3254 1.3254 1.4609 1.4609 1.5882 1.5882 1.9725 1.9725 2.0761 2.0761 2.2019 2.2019 2.3187 2.3187 2.6126 2.6126 2.8823 2.8823 2.9887 2.9887 3.6732 3.6732 4.2176 4.2176 4.4164 4.4164 5.9995 5.9995 7.8308 7.8308 8.1417 8.1417 8.6649 8.6649 8.9240 8.9240 9.0759 9.0759 k = 0.2000 0.1414-0.0000 ( 11368 PWs) bands (ev): -8.3644 -8.3644 -7.9597 -7.9597 -7.9115 -7.9115 -7.9059 -7.9059 -3.1693 -3.1693 -3.1558 -3.1557 -1.6340 -1.6340 -1.5171 -1.5171 -1.4768 -1.4768 -0.9482 -0.9482 0.2503 0.2503 0.3978 0.3978 0.4703 0.4703 0.5477 0.5478 0.6731 0.6731 0.8172 0.8172 0.8787 0.8787 1.1274 1.1274 1.3425 1.3425 1.4613 1.4613 1.6071 1.6071 1.9756 1.9756 2.0894 2.0895 2.2144 2.2144 2.3226 2.3226 2.6384 2.6384 2.8909 2.8909 3.0120 3.0120 3.6396 3.6396 4.1629 4.1629 4.3811 4.3811 6.0630 6.0630 7.8155 7.8155 8.1613 8.1613 8.6300 8.6300 8.8373 8.8373 8.9817 8.9817 k = 0.2200 0.1556-0.0000 ( 11376 PWs) bands (ev): -8.3554 -8.3554 -7.9698 -7.9698 -7.9114 -7.9114 -7.9061 -7.9061 -3.1699 -3.1699 -3.1570 -3.1570 -1.6371 -1.6371 -1.5179 -1.5179 -1.4786 -1.4786 -0.9532 -0.9532 0.2525 0.2525 0.3900 0.3900 0.4686 0.4686 0.5460 0.5460 0.6768 0.6768 0.8137 0.8137 0.8752 0.8752 1.1287 1.1287 1.3589 1.3589 1.4619 1.4619 1.6263 1.6263 1.9792 1.9792 2.1026 2.1026 2.2265 2.2265 2.3274 2.3274 2.6662 2.6662 2.9001 2.9001 3.0379 3.0379 3.6044 3.6044 4.1081 4.1081 4.3431 4.3431 6.1241 6.1241 7.8014 7.8014 8.1815 8.1815 8.5968 8.5968 8.7532 8.7532 8.8901 8.8901 k = 0.2400 0.1697-0.0000 ( 11372 PWs) bands (ev): -8.3457 -8.3457 -7.9806 -7.9806 -7.9113 -7.9113 -7.9062 -7.9062 -3.1705 -3.1705 -3.1583 -3.1583 -1.6402 -1.6402 -1.5187 -1.5187 -1.4806 -1.4806 -0.9580 -0.9580 0.2545 0.2545 0.3815 0.3815 0.4677 0.4677 0.5438 0.5438 0.6781 0.6781 0.8106 0.8106 0.8737 0.8737 1.1324 1.1324 1.3744 1.3744 1.4628 1.4628 1.6458 1.6458 1.9832 1.9832 2.1152 2.1152 2.2383 2.2383 2.3332 2.3332 2.6956 2.6956 2.9102 2.9102 3.0663 3.0663 3.5680 3.5680 4.0535 4.0535 4.3029 4.3029 6.1814 6.1814 7.7897 7.7897 8.2015 8.2015 8.5652 8.5652 8.6730 8.6730 8.8018 8.8018 k = 0.2600 0.1839-0.0000 ( 11384 PWs) bands (ev): -8.3352 -8.3352 -7.9922 -7.9922 -7.9113 -7.9113 -7.9063 -7.9063 -3.1711 -3.1711 -3.1597 -3.1597 -1.6432 -1.6432 -1.5195 -1.5195 -1.4827 -1.4827 -0.9624 -0.9624 0.2563 0.2563 0.3728 0.3728 0.4673 0.4673 0.5411 0.5411 0.6771 0.6771 0.8077 0.8077 0.8736 0.8736 1.1391 1.1391 1.3884 1.3884 1.4639 1.4639 1.6651 1.6651 1.9874 1.9874 2.1269 2.1269 2.2495 2.2495 2.3400 2.3400 2.7265 2.7265 2.9212 2.9212 3.0969 3.0969 3.5309 3.5309 3.9994 3.9994 4.2606 4.2606 6.2340 6.2340 7.7814 7.7814 8.2203 8.2203 8.5352 8.5352 8.5984 8.5984 8.7177 8.7177 k = 0.2800 0.1980-0.0000 ( 11372 PWs) bands (ev): -8.3241 -8.3241 -8.0044 -8.0044 -7.9112 -7.9112 -7.9065 -7.9065 -3.1717 -3.1717 -3.1610 -3.1610 -1.6461 -1.6461 -1.5204 -1.5204 -1.4850 -1.4850 -0.9665 -0.9665 0.2580 0.2580 0.3639 0.3639 0.4676 0.4676 0.5381 0.5381 0.6742 0.6742 0.8050 0.8050 0.8739 0.8739 1.1493 1.1493 1.4007 1.4007 1.4654 1.4654 1.6840 1.6840 1.9919 1.9919 2.1374 2.1374 2.2602 2.2602 2.3475 2.3475 2.7587 2.7587 2.9334 2.9334 3.1296 3.1296 3.4937 3.4937 3.9458 3.9458 4.2166 4.2166 6.2808 6.2808 7.7779 7.7779 8.2359 8.2359 8.5061 8.5061 8.5318 8.5318 8.6385 8.6385 k = 0.3000 0.2121-0.0000 ( 11380 PWs) bands (ev): -8.3123 -8.3123 -8.0172 -8.0172 -7.9111 -7.9111 -7.9066 -7.9066 -3.1722 -3.1722 -3.1624 -3.1624 -1.6489 -1.6489 -1.5213 -1.5213 -1.4874 -1.4874 -0.9701 -0.9701 0.2595 0.2595 0.3550 0.3550 0.4684 0.4684 0.5348 0.5348 0.6699 0.6699 0.8026 0.8026 0.8737 0.8737 1.1632 1.1632 1.4108 1.4108 1.4671 1.4671 1.7024 1.7024 1.9963 1.9963 2.1463 2.1463 2.2707 2.2707 2.3554 2.3554 2.7917 2.7917 2.9468 2.9468 3.1640 3.1640 3.4568 3.4568 3.8930 3.8930 4.1712 4.1712 6.3212 6.3212 7.7800 7.7800 8.2449 8.2449 8.4722 8.4722 8.4818 8.4818 8.5653 8.5653 k = 0.3200 0.2263-0.0000 ( 11384 PWs) bands (ev): -8.3000 -8.3000 -8.0306 -8.0306 -7.9110 -7.9110 -7.9068 -7.9068 -3.1727 -3.1727 -3.1637 -3.1637 -1.6515 -1.6515 -1.5222 -1.5222 -1.4898 -1.4898 -0.9734 -0.9734 0.2611 0.2611 0.3463 0.3463 0.4695 0.4695 0.5314 0.5314 0.6649 0.6649 0.8005 0.8005 0.8726 0.8726 1.1806 1.1806 1.4187 1.4187 1.4688 1.4688 1.7200 1.7200 2.0007 2.0007 2.1534 2.1534 2.2813 2.2813 2.3633 2.3634 2.8252 2.8252 2.9618 2.9618 3.2000 3.2000 3.4207 3.4207 3.8411 3.8411 4.1248 4.1248 6.3548 6.3548 7.7882 7.7882 8.2422 8.2422 8.4328 8.4328 8.4521 8.4521 8.5004 8.5004 k = 0.3400 0.2404-0.0000 ( 11388 PWs) bands (ev): -8.2872 -8.2872 -8.0444 -8.0444 -7.9109 -7.9109 -7.9069 -7.9069 -3.1731 -3.1731 -3.1650 -3.1650 -1.6539 -1.6539 -1.5230 -1.5230 -1.4922 -1.4922 -0.9762 -0.9762 0.2626 0.2626 0.3379 0.3379 0.4710 0.4710 0.5278 0.5278 0.6596 0.6596 0.7988 0.7988 0.8704 0.8704 1.2009 1.2009 1.4243 1.4243 1.4703 1.4703 1.7365 1.7365 2.0049 2.0049 2.1587 2.1587 2.2919 2.2919 2.3708 2.3708 2.8584 2.8584 2.9785 2.9785 3.2372 3.2372 3.3859 3.3860 3.7902 3.7902 4.0778 4.0778 6.3816 6.3816 7.8028 7.8028 8.2242 8.2242 8.4040 8.4040 8.4204 8.4204 8.4533 8.4533 k = 0.3600 0.2546-0.0000 ( 11412 PWs) bands (ev): -8.2739 -8.2739 -8.0586 -8.0586 -7.9108 -7.9108 -7.9070 -7.9070 -3.1734 -3.1734 -3.1662 -3.1662 -1.6560 -1.6560 -1.5238 -1.5238 -1.4945 -1.4945 -0.9786 -0.9786 0.2642 0.2642 0.3298 0.3298 0.4728 0.4729 0.5242 0.5242 0.6542 0.6542 0.7976 0.7976 0.8671 0.8671 1.2233 1.2233 1.4277 1.4277 1.4714 1.4714 1.7518 1.7518 2.0088 2.0088 2.1623 2.1623 2.3027 2.3027 2.3774 2.3774 2.8906 2.8906 2.9974 2.9974 3.2748 3.2748 3.3532 3.3532 3.7409 3.7409 4.0305 4.0305 6.4021 6.4021 7.8232 7.8232 8.1952 8.1952 8.3632 8.3632 8.3927 8.3927 8.4366 8.4366 k = 0.3800 0.2687-0.0000 ( 11408 PWs) bands (ev): -8.2602 -8.2602 -8.0731 -8.0731 -7.9108 -7.9108 -7.9072 -7.9072 -3.1736 -3.1736 -3.1674 -3.1674 -1.6580 -1.6580 -1.5245 -1.5245 -1.4966 -1.4966 -0.9806 -0.9806 0.2660 0.2660 0.3223 0.3223 0.4749 0.4749 0.5205 0.5206 0.6492 0.6492 0.7970 0.7970 0.8632 0.8632 1.2472 1.2472 1.4292 1.4292 1.4717 1.4717 1.7657 1.7657 2.0123 2.0123 2.1644 2.1644 2.3135 2.3135 2.3829 2.3829 2.9208 2.9208 3.0189 3.0189 3.3055 3.3055 3.3298 3.3298 3.6934 3.6934 3.9835 3.9835 6.4169 6.4169 7.8484 7.8484 8.1632 8.1632 8.3172 8.3172 8.3663 8.3663 8.4384 8.4384 k = 0.4000 0.2829-0.0000 ( 11404 PWs) bands (ev): -8.2462 -8.2462 -8.0878 -8.0878 -7.9107 -7.9107 -7.9073 -7.9073 -3.1737 -3.1737 -3.1685 -3.1685 -1.6596 -1.6596 -1.5251 -1.5251 -1.4985 -1.4985 -0.9822 -0.9822 0.2679 0.2679 0.3153 0.3153 0.4772 0.4772 0.5170 0.5170 0.6446 0.6446 0.7968 0.7969 0.8588 0.8588 1.2717 1.2717 1.4284 1.4284 1.4712 1.4712 1.7779 1.7780 2.0153 2.0153 2.1654 2.1654 2.3241 2.3241 2.3871 2.3871 2.9477 2.9477 3.0432 3.0432 3.2876 3.2876 3.3569 3.3569 3.6487 3.6487 3.9375 3.9375 6.4271 6.4271 7.8766 7.8766 8.1338 8.1338 8.2760 8.2760 8.3380 8.3380 8.4465 8.4465 k = 0.4200 0.2970-0.0000 ( 11416 PWs) bands (ev): -8.2320 -8.2320 -8.1026 -8.1026 -7.9106 -7.9106 -7.9074 -7.9074 -3.1737 -3.1737 -3.1695 -3.1695 -1.6610 -1.6610 -1.5256 -1.5256 -1.5002 -1.5002 -0.9835 -0.9835 0.2700 0.2700 0.3089 0.3089 0.4796 0.4796 0.5136 0.5136 0.6407 0.6407 0.7971 0.7971 0.8544 0.8544 1.2960 1.2960 1.4254 1.4254 1.4701 1.4701 1.7883 1.7883 2.0178 2.0178 2.1656 2.1656 2.3341 2.3341 2.3898 2.3898 2.9708 2.9708 3.0698 3.0699 3.2612 3.2612 3.3937 3.3937 3.6078 3.6078 3.8934 3.8934 6.4336 6.4336 7.9054 7.9054 8.1110 8.1110 8.2414 8.2414 8.3084 8.3084 8.4559 8.4559 k = 0.4400 0.3112-0.0000 ( 11432 PWs) bands (ev): -8.2178 -8.2178 -8.1172 -8.1172 -7.9105 -7.9105 -7.9075 -7.9075 -3.1736 -3.1736 -3.1704 -3.1704 -1.6620 -1.6620 -1.5260 -1.5260 -1.5016 -1.5016 -0.9845 -0.9845 0.2722 0.2722 0.3033 0.3033 0.4819 0.4819 0.5104 0.5104 0.6375 0.6375 0.7977 0.7977 0.8504 0.8504 1.3195 1.3195 1.4197 1.4197 1.4687 1.4687 1.7967 1.7967 2.0197 2.0197 2.1653 2.1653 2.3431 2.3431 2.3910 2.3910 2.9896 2.9896 3.0975 3.0975 3.2365 3.2365 3.4282 3.4282 3.5725 3.5725 3.8529 3.8529 6.4375 6.4375 7.9311 7.9311 8.0977 8.0977 8.2141 8.2141 8.2784 8.2784 8.4643 8.4643 k = 0.4600 0.3253-0.0000 ( 11436 PWs) bands (ev): -8.2042 -8.2042 -8.1312 -8.1312 -7.9105 -7.9105 -7.9075 -7.9075 -3.1734 -3.1734 -3.1712 -3.1712 -1.6628 -1.6628 -1.5263 -1.5263 -1.5026 -1.5026 -0.9852 -0.9852 0.2744 0.2744 0.2985 0.2985 0.4840 0.4840 0.5077 0.5077 0.6352 0.6352 0.7984 0.7984 0.8471 0.8471 1.3413 1.3413 1.4111 1.4111 1.4675 1.4675 1.8028 1.8028 2.0210 2.0210 2.1648 2.1648 2.3506 2.3506 2.3911 2.3912 3.0039 3.0039 3.1245 3.1245 3.2140 3.2140 3.4566 3.4566 3.5459 3.5459 3.8185 3.8185 6.4396 6.4396 7.9498 7.9498 8.0958 8.0958 8.1943 8.1943 8.2497 8.2497 8.4708 8.4708 k = 0.4800 0.3394-0.0000 ( 11464 PWs) bands (ev): -8.1924 -8.1924 -8.1432 -8.1432 -7.9105 -7.9105 -7.9076 -7.9076 -3.1731 -3.1731 -3.1719 -3.1719 -1.6633 -1.6633 -1.5265 -1.5265 -1.5032 -1.5032 -0.9856 -0.9856 0.2763 0.2763 0.2951 0.2951 0.4856 0.4856 0.5057 0.5057 0.6337 0.6337 0.7989 0.7989 0.8449 0.8449 1.3603 1.3603 1.4002 1.4002 1.4667 1.4667 1.8065 1.8065 2.0219 2.0219 2.1645 2.1645 2.3557 2.3557 2.3907 2.3907 3.0130 3.0130 3.1489 3.1490 3.1933 3.1933 3.4735 3.4735 3.5318 3.5318 3.7943 3.7943 6.4406 6.4406 7.9596 7.9596 8.1027 8.1027 8.1820 8.1820 8.2264 8.2264 8.4749 8.4749 k = 0.5000 0.3536-0.0000 ( 11464 PWs) bands (ev): -8.1868 -8.1868 -8.1489 -8.1489 -7.9105 -7.9105 -7.9076 -7.9076 -3.1729 -3.1729 -3.1723 -3.1723 -1.6634 -1.6634 -1.5265 -1.5265 -1.5034 -1.5034 -0.9857 -0.9857 0.2772 0.2772 0.2938 0.2938 0.4862 0.4862 0.5050 0.5050 0.6332 0.6332 0.7991 0.7991 0.8441 0.8441 1.3707 1.3707 1.3925 1.3925 1.4664 1.4664 1.8077 1.8077 2.0221 2.0221 2.1643 2.1643 2.3575 2.3575 2.3904 2.3904 3.0162 3.0162 3.1663 3.1663 3.1775 3.1775 3.4779 3.4779 3.5288 3.5288 3.7854 3.7854 6.4409 6.4409 7.9624 7.9624 8.1078 8.1078 8.1777 8.1777 8.2166 8.2166 8.4763 8.4763 k = 0.5000 0.3536-0.0000 ( 11464 PWs) bands (ev): -8.1868 -8.1868 -8.1489 -8.1489 -7.9105 -7.9105 -7.9076 -7.9076 -3.1729 -3.1729 -3.1723 -3.1723 -1.6634 -1.6634 -1.5265 -1.5265 -1.5034 -1.5034 -0.9857 -0.9857 0.2772 0.2772 0.2938 0.2938 0.4862 0.4862 0.5050 0.5050 0.6332 0.6332 0.7991 0.7991 0.8441 0.8441 1.3707 1.3707 1.3925 1.3925 1.4664 1.4664 1.8077 1.8077 2.0221 2.0221 2.1643 2.1643 2.3575 2.3575 2.3904 2.3904 3.0162 3.0162 3.1663 3.1663 3.1775 3.1775 3.4779 3.4779 3.5288 3.5288 3.7854 3.7854 6.4409 6.4409 7.9624 7.9624 8.1078 8.1078 8.1777 8.1777 8.2166 8.2166 8.4763 8.4763 k = 0.4901 0.3675 0.0171 ( 11464 PWs) bands (ev): -8.1866 -8.1865 -8.1488 -8.1485 -7.9109 -7.9106 -7.9079 -7.9078 -3.1736 -3.1729 -3.1726 -3.1712 -1.6652 -1.6618 -1.5299 -1.5230 -1.5047 -1.5017 -0.9868 -0.9835 0.2764 0.2778 0.2937 0.2941 0.4832 0.4882 0.5016 0.5078 0.6308 0.6350 0.7966 0.8029 0.8412 0.8485 1.3682 1.3712 1.3903 1.3950 1.4627 1.4694 1.8062 1.8084 2.0096 2.0317 2.1576 2.1716 2.3463 2.3699 2.3843 2.3990 3.0033 3.0255 3.1507 3.1614 3.1822 3.1922 3.4596 3.4895 3.5223 3.5421 3.7804 3.7899 6.4379 6.4456 7.9564 7.9735 8.1050 8.1150 8.1775 8.1820 8.2179 8.2195 8.4780 8.4825 k = 0.4803 0.3815 0.0342 ( 11430 PWs) bands (ev): -8.1858 -8.1856 -8.1483 -8.1476 -7.9120 -7.9116 -7.9085 -7.9080 -3.1747 -3.1731 -3.1724 -3.1701 -1.6670 -1.6603 -1.5331 -1.5196 -1.5056 -1.4997 -0.9870 -0.9804 0.2755 0.2782 0.2937 0.2946 0.4793 0.4890 0.4978 0.5099 0.6279 0.6362 0.7951 0.8079 0.8401 0.8541 1.3640 1.3696 1.3883 1.3976 1.4584 1.4719 1.8039 1.8080 1.9949 2.0374 2.1512 2.1796 2.3375 2.3804 2.3821 2.4109 2.9878 3.0306 3.1322 3.1502 3.1889 3.2119 3.4400 3.4846 3.5328 3.5567 3.7751 3.7939 6.4367 6.4521 7.9556 7.9895 8.1069 8.1261 8.1820 8.1903 8.2232 8.2263 8.4876 8.4969 k = 0.4704 0.3954 0.0513 ( 11408 PWs) bands (ev): -8.1846 -8.1843 -8.1473 -8.1463 -7.9141 -7.9139 -7.9091 -7.9080 -3.1759 -3.1732 -3.1722 -3.1690 -1.6690 -1.6589 -1.5361 -1.5162 -1.5061 -1.4975 -0.9860 -0.9763 0.2744 0.2786 0.2938 0.2952 0.4743 0.4878 0.4945 0.5115 0.6247 0.6368 0.7942 0.8139 0.8412 0.8606 1.3580 1.3661 1.3861 1.4000 1.4534 1.4741 1.8007 1.8066 1.9788 2.0383 2.1451 2.1884 2.3319 2.3785 2.3932 2.4262 2.9702 3.0311 3.1136 3.1386 3.1934 3.2323 3.4200 3.4716 3.5515 3.5707 3.7698 3.7978 6.4371 6.4602 7.9600 8.0098 8.1131 8.1400 8.1920 8.2031 8.2331 8.2369 8.5047 8.5197 k = 0.4605 0.4094 0.0684 ( 11402 PWs) bands (ev): -8.1829 -8.1825 -8.1459 -8.1446 -7.9174 -7.9172 -7.9095 -7.9079 -3.1771 -3.1733 -3.1720 -3.1679 -1.6709 -1.6578 -1.5388 -1.5131 -1.5059 -1.4951 -0.9840 -0.9714 0.2730 0.2787 0.2939 0.2961 0.4683 0.4836 0.4928 0.5123 0.6214 0.6371 0.7935 0.8207 0.8446 0.8679 1.3495 1.3620 1.3832 1.4016 1.4482 1.4763 1.7969 1.8041 1.9618 2.0341 2.1394 2.1982 2.3300 2.3784 2.4036 2.4442 2.9513 3.0269 3.0946 3.1273 3.1957 3.2524 3.3998 3.4567 3.5720 3.5831 3.7654 3.8018 6.4391 6.4699 7.9692 8.0336 8.1230 8.1557 8.2077 8.2211 8.2482 8.2512 8.5293 8.5511 k = 0.4507 0.4234 0.0855 ( 11396 PWs) bands (ev): -8.1806 -8.1801 -8.1440 -8.1424 -7.9217 -7.9216 -7.9098 -7.9078 -3.1783 -3.1734 -3.1718 -3.1668 -1.6729 -1.6568 -1.5411 -1.5107 -1.5047 -1.4925 -0.9810 -0.9657 0.2714 0.2787 0.2943 0.2972 0.4614 0.4774 0.4918 0.5126 0.6182 0.6374 0.7928 0.8282 0.8503 0.8759 1.3382 1.3577 1.3793 1.4015 1.4436 1.4788 1.7923 1.8005 1.9442 2.0250 2.1340 2.2086 2.3317 2.3802 2.4137 2.4639 2.9314 3.0188 3.0751 3.1169 3.1960 3.2713 3.3801 3.4406 3.5914 3.5946 3.7631 3.8066 6.4427 6.4811 7.9830 8.0598 8.1362 8.1729 8.2279 8.2438 8.2688 8.2716 8.5613 8.5911 k = 0.4408 0.4373 0.1025 ( 11404 PWs) bands (ev): -8.1779 -8.1773 -8.1417 -8.1398 -7.9271 -7.9269 -7.9101 -7.9075 -3.1795 -3.1736 -3.1715 -3.1657 -1.6749 -1.6560 -1.5431 -1.5089 -1.5026 -1.4897 -0.9769 -0.9593 0.2697 0.2785 0.2948 0.2987 0.4536 0.4701 0.4907 0.5122 0.6153 0.6379 0.7919 0.8359 0.8579 0.8845 1.3241 1.3535 1.3741 1.3991 1.4403 1.4816 1.7870 1.7959 1.9263 2.0117 2.1287 2.2190 2.3367 2.3840 2.4237 2.4848 2.9109 3.0079 3.0550 3.1071 3.1947 3.2868 3.3618 3.4236 3.5984 3.6149 3.7639 3.8123 6.4476 6.4936 8.0010 8.0871 8.1524 8.1922 8.2515 8.2689 8.2929 8.3040 8.6006 8.6397 k = 0.4309 0.4513 0.1196 ( 11414 PWs) bands (ev): -8.1747 -8.1740 -8.1390 -8.1367 -7.9334 -7.9332 -7.9103 -7.9073 -3.1807 -3.1737 -3.1712 -3.1645 -1.6768 -1.6554 -1.5447 -1.5075 -1.5000 -1.4868 -0.9718 -0.9523 0.2677 0.2782 0.2954 0.3004 0.4452 0.4619 0.4894 0.5113 0.6128 0.6388 0.7911 0.8438 0.8669 0.8936 1.3075 1.3490 1.3670 1.3946 1.4388 1.4850 1.7807 1.7905 1.9084 1.9951 2.1238 2.2288 2.3443 2.3901 2.4338 2.5065 2.8901 2.9952 3.0347 3.0973 3.1927 3.2942 3.3487 3.4054 3.6010 3.6358 3.7684 3.8192 6.4537 6.5072 8.0225 8.1137 8.1717 8.2138 8.2783 8.2939 8.3249 8.3466 8.6471 8.6966 k = 0.4211 0.4652 0.1367 ( 11402 PWs) bands (ev): -8.1711 -8.1703 -8.1359 -8.1333 -7.9406 -7.9403 -7.9105 -7.9071 -3.1819 -3.1738 -3.1709 -3.1634 -1.6786 -1.6550 -1.5459 -1.5060 -1.4973 -1.4839 -0.9658 -0.9446 0.2657 0.2778 0.2961 0.3024 0.4362 0.4532 0.4879 0.5099 0.6108 0.6404 0.7904 0.8515 0.8769 0.9031 1.2884 1.3434 1.3583 1.3894 1.4386 1.4890 1.7730 1.7846 1.8907 1.9760 2.1191 2.2373 2.3536 2.3988 2.4439 2.5288 2.8695 2.9813 3.0148 3.0870 3.1909 3.2875 3.3456 3.3863 3.6011 3.6562 3.7764 3.8274 6.4610 6.5217 8.0470 8.1386 8.1942 8.2370 8.3081 8.3195 8.3663 8.3975 8.7006 8.7617 k = 0.4112 0.4792 0.1538 ( 11406 PWs) bands (ev): -8.1670 -8.1661 -8.1323 -8.1294 -7.9486 -7.9483 -7.9106 -7.9069 -3.1831 -3.1741 -3.1704 -3.1623 -1.6803 -1.6547 -1.5468 -1.5043 -1.4946 -1.4809 -0.9590 -0.9365 0.2637 0.2774 0.2969 0.3047 0.4267 0.4440 0.4862 0.5081 0.6094 0.6427 0.7899 0.8587 0.8877 0.9128 1.2672 1.3343 1.3500 1.3844 1.4391 1.4936 1.7638 1.7785 1.8732 1.9552 2.1148 2.2443 2.3634 2.4103 2.4538 2.5517 2.8494 2.9661 2.9960 3.0762 3.1904 3.2702 3.3461 3.3681 3.6004 3.6759 3.7870 3.8369 6.4692 6.5369 8.0740 8.1618 8.2194 8.2614 8.3387 8.3496 8.4166 8.4555 8.7611 8.8345 k = 0.4013 0.4931 0.1709 ( 11394 PWs) bands (ev): -8.1625 -8.1616 -8.1284 -8.1252 -7.9575 -7.9571 -7.9108 -7.9066 -3.1842 -3.1743 -3.1699 -3.1612 -1.6818 -1.6546 -1.5472 -1.5023 -1.4922 -1.4779 -0.9513 -0.9281 0.2616 0.2772 0.2977 0.3072 0.4168 0.4347 0.4844 0.5059 0.6087 0.6458 0.7896 0.8654 0.8990 0.9225 1.2441 1.3204 1.3441 1.3802 1.4398 1.4987 1.7528 1.7722 1.8561 1.9333 2.1110 2.2495 2.3726 2.4246 2.4635 2.5749 2.8304 2.9492 2.9787 3.0648 3.1919 3.2491 3.3354 3.3590 3.6008 3.6944 3.7990 3.8474 6.4784 6.5526 8.1029 8.1841 8.2460 8.2867 8.3672 8.3876 8.4751 8.5198 8.8283 8.9147 k = 0.3915 0.5071 0.1880 ( 11396 PWs) bands (ev): -8.1577 -8.1566 -8.1240 -8.1206 -7.9671 -7.9666 -7.9109 -7.9064 -3.1853 -3.1746 -3.1693 -3.1601 -1.6832 -1.6546 -1.5473 -1.5001 -1.4899 -1.4749 -0.9429 -0.9193 0.2597 0.2770 0.2985 0.3099 0.4067 0.4252 0.4825 0.5033 0.6088 0.6498 0.7895 0.8713 0.9105 0.9319 1.2194 1.3032 1.3394 1.3766 1.4404 1.5040 1.7401 1.7658 1.8393 1.9108 2.1076 2.2530 2.3808 2.4407 2.4731 2.5980 2.8134 2.9310 2.9627 3.0535 3.1960 3.2268 3.3146 3.3560 3.6035 3.7115 3.8114 3.8585 6.4884 6.5686 8.1333 8.2060 8.2724 8.3129 8.3964 8.4308 8.5407 8.5898 8.9019 9.0017 k = 0.3816 0.5210 0.2051 ( 11396 PWs) bands (ev): -8.1525 -8.1513 -8.1194 -8.1157 -7.9773 -7.9768 -7.9111 -7.9062 -3.1863 -3.1749 -3.1687 -3.1590 -1.6843 -1.6547 -1.5471 -1.4977 -1.4879 -1.4720 -0.9340 -0.9103 0.2579 0.2772 0.2991 0.3126 0.3964 0.4157 0.4805 0.5006 0.6097 0.6546 0.7896 0.8764 0.9219 0.9408 1.1935 1.2844 1.3350 1.3737 1.4408 1.5096 1.7259 1.7591 1.8228 1.8879 2.1048 2.2550 2.3878 2.4556 2.4841 2.6203 2.7992 2.9123 2.9470 3.0424 3.2012 3.2062 3.2918 3.3519 3.6086 3.7270 3.8234 3.8701 6.4991 6.5846 8.1649 8.2280 8.2976 8.3399 8.4280 8.4775 8.6126 8.6650 8.9818 9.0952 k = 0.3717 0.5350 0.2222 ( 11388 PWs) bands (ev): -8.1470 -8.1458 -8.1143 -8.1104 -7.9882 -7.9876 -7.9112 -7.9060 -3.1872 -3.1753 -3.1679 -3.1580 -1.6852 -1.6550 -1.5465 -1.4950 -1.4862 -1.4691 -0.9245 -0.9012 0.2563 0.2776 0.2995 0.3155 0.3862 0.4065 0.4786 0.4976 0.6114 0.6603 0.7898 0.8806 0.9328 0.9492 1.1668 1.2650 1.3307 1.3714 1.4411 1.5152 1.7105 1.7521 1.8065 1.8651 2.1024 2.2555 2.3939 2.4652 2.4990 2.6406 2.7893 2.8937 2.9314 3.0317 3.1828 3.2123 3.2696 3.3470 3.6156 3.7406 3.8344 3.8815 6.5105 6.6005 8.1974 8.2500 8.3214 8.3667 8.4628 8.5265 8.6901 8.7449 9.0675 9.1945 k = 0.3618 0.5489 0.2393 ( 11394 PWs) bands (ev): -8.1413 -8.1400 -8.1090 -8.1048 -7.9995 -7.9989 -7.9113 -7.9058 -3.1881 -3.1757 -3.1671 -3.1569 -1.6858 -1.6552 -1.5457 -1.4922 -1.4846 -1.4663 -0.9147 -0.8921 0.2549 0.2784 0.2997 0.3182 0.3761 0.3977 0.4768 0.4945 0.6138 0.6670 0.7901 0.8838 0.9427 0.9569 1.1397 1.2456 1.3263 1.3694 1.4411 1.5207 1.6940 1.7445 1.7905 1.8425 2.1003 2.2548 2.3992 2.4684 2.5176 2.6569 2.7849 2.8758 2.9164 3.0209 3.1637 3.2183 3.2537 3.3434 3.6235 3.7522 3.8438 3.8925 6.5225 6.6161 8.2306 8.2715 8.3441 8.3924 8.5009 8.5770 8.7723 8.8288 9.1586 9.2991 k = 0.3520 0.5629 0.2564 ( 11386 PWs) bands (ev): -8.1355 -8.1342 -8.1033 -8.0990 -8.0112 -8.0106 -7.9114 -7.9056 -3.1888 -3.1760 -3.1662 -3.1559 -1.6862 -1.6555 -1.5446 -1.4894 -1.4833 -1.4636 -0.9047 -0.8831 0.2538 0.2797 0.2997 0.3207 0.3666 0.3892 0.4752 0.4913 0.6170 0.6746 0.7905 0.8859 0.9510 0.9643 1.1127 1.2270 1.3220 1.3678 1.4408 1.5261 1.6769 1.7363 1.7748 1.8204 2.0983 2.2531 2.4037 2.4670 2.5369 2.6669 2.7869 2.8592 2.9037 3.0091 3.1478 3.2079 3.2579 3.3429 3.6314 3.7617 3.8513 3.9026 6.5350 6.6311 8.2640 8.2916 8.3664 8.4169 8.5417 8.6280 8.8585 8.9162 9.2547 9.4086 k = 0.3421 0.5768 0.2735 ( 11402 PWs) bands (ev): -8.1297 -8.1284 -8.0974 -8.0928 -8.0232 -8.0224 -7.9115 -7.9054 -3.1895 -3.1764 -3.1652 -3.1550 -1.6862 -1.6558 -1.5433 -1.4869 -1.4819 -1.4611 -0.8945 -0.8742 0.2530 0.2813 0.2995 0.3224 0.3579 0.3813 0.4737 0.4880 0.6208 0.6831 0.7907 0.8867 0.9567 0.9715 1.0863 1.2097 1.3178 1.3663 1.4403 1.5310 1.6593 1.7271 1.7595 1.7992 2.0963 2.2505 2.4072 2.4619 2.5550 2.6696 2.7924 2.8452 2.8960 2.9955 3.1363 3.1883 3.2752 3.3473 3.6384 3.7689 3.8565 3.9113 6.5481 6.6455 8.2961 8.3100 8.3892 8.4407 8.5843 8.6785 8.9477 9.0064 9.3551 9.5222 k = 0.3322 0.5908 0.2905 ( 11396 PWs) bands (ev): -8.1242 -8.1228 -8.0912 -8.0865 -8.0350 -8.0341 -7.9115 -7.9053 -3.1900 -3.1768 -3.1642 -3.1541 -1.6860 -1.6560 -1.5418 -1.4849 -1.4802 -1.4587 -0.8844 -0.8656 0.2525 0.2832 0.2991 0.3226 0.3511 0.3742 0.4725 0.4847 0.6252 0.6927 0.7908 0.8861 0.9597 0.9782 1.0614 1.1943 1.3137 1.3649 1.4394 1.5355 1.6416 1.7168 1.7447 1.7793 2.0939 2.2472 2.4092 2.4541 2.5708 2.6659 2.7947 2.8359 2.8972 2.9798 3.1303 3.1686 3.2970 3.3577 3.6440 3.7737 3.8592 3.9184 6.5615 6.6590 8.3192 8.3318 8.4132 8.4651 8.6275 8.7278 9.0390 9.0985 9.4590 9.6390 k = 0.3224 0.6048 0.3076 ( 11412 PWs) bands (ev): -8.1195 -8.1182 -8.0848 -8.0799 -8.0462 -8.0451 -7.9116 -7.9051 -3.1904 -3.1771 -3.1632 -3.1532 -1.6854 -1.6563 -1.5402 -1.4838 -1.4778 -1.4565 -0.8744 -0.8574 0.2523 0.2853 0.2988 0.3203 0.3471 0.3679 0.4714 0.4813 0.6300 0.7031 0.7906 0.8840 0.9601 0.9831 1.0393 1.1812 1.3099 1.3635 1.4382 1.5392 1.6239 1.7051 1.7301 1.7614 2.0911 2.2436 2.4089 2.4445 2.5832 2.6573 2.7901 2.8319 2.9081 2.9629 3.1304 3.1517 3.3209 3.3745 3.6476 3.7764 3.8593 3.9234 6.5753 6.6715 8.3301 8.3571 8.4396 8.4914 8.6704 8.7748 9.1309 9.1915 9.5653 9.7576 k = 0.3125 0.6187 0.3247 ( 11408 PWs) bands (ev): -8.1166 -8.1153 -8.0784 -8.0732 -8.0558 -8.0542 -7.9117 -7.9050 -3.1907 -3.1774 -3.1621 -3.1524 -1.6845 -1.6564 -1.5385 -1.4833 -1.4750 -1.4545 -0.8648 -0.8496 0.2523 0.2872 0.2990 0.3156 0.3457 0.3630 0.4707 0.4780 0.6351 0.7146 0.7903 0.8801 0.9583 0.9835 1.0228 1.1708 1.3065 1.3618 1.4367 1.5420 1.6067 1.6923 1.7154 1.7462 2.0876 2.2400 2.4050 2.4345 2.5910 2.6454 2.7819 2.8312 2.9196 2.9516 3.1325 3.1438 3.3457 3.3977 3.6489 3.7768 3.8568 3.9263 6.5892 6.6827 8.3354 8.3760 8.4703 8.5207 8.7121 8.8188 9.2220 9.2842 9.6719 9.8731 k = 0.3125 0.6187 0.3247 ( 11408 PWs) bands (ev): -8.1166 -8.1153 -8.0784 -8.0732 -8.0558 -8.0542 -7.9117 -7.9050 -3.1907 -3.1774 -3.1621 -3.1524 -1.6845 -1.6564 -1.5385 -1.4833 -1.4750 -1.4545 -0.8648 -0.8496 0.2523 0.2872 0.2990 0.3156 0.3457 0.3630 0.4707 0.4780 0.6351 0.7146 0.7903 0.8801 0.9583 0.9835 1.0228 1.1708 1.3065 1.3618 1.4367 1.5420 1.6067 1.6923 1.7154 1.7462 2.0876 2.2400 2.4050 2.4345 2.5910 2.6454 2.7819 2.8312 2.9196 2.9516 3.1325 3.1438 3.3457 3.3977 3.6489 3.7768 3.8568 3.9263 6.5892 6.6827 8.3354 8.3760 8.4703 8.5207 8.7121 8.8188 9.2220 9.2842 9.6719 9.8731 k = 0.2902 0.6124 0.3325 ( 11402 PWs) bands (ev): -8.1178 -8.1164 -8.0752 -8.0708 -8.0576 -8.0553 -7.9118 -7.9051 -3.1907 -3.1776 -3.1616 -3.1521 -1.6840 -1.6564 -1.5376 -1.4834 -1.4737 -1.4536 -0.8604 -0.8462 0.2525 0.2877 0.2994 0.3132 0.3454 0.3614 0.4700 0.4769 0.6377 0.7202 0.7902 0.8773 0.9565 0.9820 1.0184 1.1663 1.3039 1.3601 1.4352 1.5423 1.5999 1.6870 1.7077 1.7412 2.0841 2.2348 2.4029 2.4311 2.5926 2.6406 2.7791 2.8336 2.9165 2.9549 3.1330 3.1482 3.3581 3.4095 3.6413 3.7665 3.8628 3.9328 6.5955 6.6871 8.3363 8.3813 8.4852 8.5370 8.7332 8.8385 9.2638 9.3262 9.7194 9.9149 k = 0.2679 0.6061 0.3402 ( 11401 PWs) bands (ev): -8.1214 -8.1199 -8.0753 -8.0725 -8.0533 -8.0496 -7.9122 -7.9054 -3.1906 -3.1779 -3.1608 -3.1517 -1.6832 -1.6565 -1.5364 -1.4836 -1.4722 -1.4528 -0.8560 -0.8427 0.2529 0.2879 0.3001 0.3113 0.3453 0.3602 0.4685 0.4766 0.6407 0.7261 0.7905 0.8728 0.9537 0.9806 1.0162 1.1613 1.2991 1.3571 1.4323 1.5414 1.5949 1.6827 1.6986 1.7383 2.0767 2.2234 2.4005 2.4308 2.5929 2.6394 2.7780 2.8394 2.9081 2.9627 3.1388 3.1566 3.3723 3.4208 3.6216 3.7426 3.8783 3.9465 6.6019 6.6907 8.3370 8.3843 8.5000 8.5600 8.7579 8.8594 9.3064 9.3682 9.7654 9.9352 k = 0.2455 0.5998 0.3479 ( 11402 PWs) bands (ev): -8.1258 -8.1243 -8.0784 -8.0765 -8.0448 -8.0403 -7.9129 -7.9061 -3.1905 -3.1782 -3.1600 -3.1513 -1.6822 -1.6566 -1.5349 -1.4840 -1.4706 -1.4521 -0.8514 -0.8392 0.2534 0.2878 0.3008 0.3099 0.3453 0.3592 0.4668 0.4766 0.6437 0.7318 0.7911 0.8669 0.9507 0.9802 1.0155 1.1557 1.2926 1.3534 1.4280 1.5394 1.5906 1.6782 1.6903 1.7370 2.0658 2.2072 2.3966 2.4331 2.5935 2.6428 2.7774 2.8466 2.9000 2.9711 3.1491 3.1691 3.3874 3.4310 3.5956 3.7131 3.8956 3.9616 6.6085 6.6937 8.3377 8.3853 8.5164 8.5905 8.7837 8.8818 9.3483 9.4092 9.8088 9.9369 k = 0.2232 0.5935 0.3557 ( 11405 PWs) bands (ev): -8.1304 -8.1290 -8.0824 -8.0809 -8.0348 -8.0300 -7.9140 -7.9071 -3.1903 -3.1787 -3.1591 -3.1509 -1.6810 -1.6567 -1.5331 -1.4848 -1.4689 -1.4514 -0.8469 -0.8357 0.2542 0.2878 0.3011 0.3094 0.3453 0.3584 0.4651 0.4767 0.6468 0.7365 0.7921 0.8603 0.9480 0.9808 1.0158 1.1496 1.2849 1.3494 1.4227 1.5367 1.5857 1.6696 1.6874 1.7368 2.0525 2.1876 2.3919 2.4354 2.5971 2.6499 2.7768 2.8517 2.8967 2.9791 3.1604 3.1878 3.4018 3.4402 3.5676 3.6818 3.9107 3.9748 6.6156 6.6962 8.3388 8.3847 8.5367 8.6274 8.8091 8.9056 9.3880 9.4485 9.8459 9.9351 k = 0.2009 0.5871 0.3634 ( 11397 PWs) bands (ev): -8.1349 -8.1335 -8.0865 -8.0853 -8.0246 -8.0195 -7.9154 -7.9084 -3.1900 -3.1792 -3.1581 -3.1506 -1.6797 -1.6570 -1.5311 -1.4857 -1.4671 -1.4508 -0.8425 -0.8324 0.2552 0.2877 0.3011 0.3095 0.3453 0.3576 0.4636 0.4768 0.6495 0.7391 0.7937 0.8542 0.9459 0.9824 1.0167 1.1431 1.2767 1.3454 1.4172 1.5338 1.5792 1.6574 1.6895 1.7372 2.0381 2.1656 2.3875 2.4358 2.6048 2.6599 2.7759 2.8512 2.9018 2.9868 3.1704 3.2129 3.4121 3.4487 3.5419 3.6508 3.9217 3.9846 6.6232 6.6985 8.3403 8.3835 8.5616 8.6687 8.8338 8.9307 9.4247 9.4853 9.8693 9.9419 k = 0.1786 0.5808 0.3711 ( 11393 PWs) bands (ev): -8.1391 -8.1378 -8.0903 -8.0893 -8.0145 -8.0092 -7.9171 -7.9102 -3.1896 -3.1797 -3.1571 -3.1503 -1.6783 -1.6574 -1.5288 -1.4870 -1.4654 -1.4504 -0.8381 -0.8291 0.2564 0.2877 0.3008 0.3101 0.3452 0.3569 0.4623 0.4767 0.6517 0.7385 0.7963 0.8500 0.9445 0.9846 1.0182 1.1361 1.2688 1.3412 1.4122 1.5309 1.5708 1.6437 1.6940 1.7381 2.0237 2.1423 2.3838 2.4340 2.6165 2.6720 2.7744 2.8467 2.9132 2.9948 3.1789 3.2420 3.4138 3.4565 3.5239 3.6221 3.9279 3.9902 6.6314 6.7005 8.3426 8.3822 8.5908 8.7123 8.8586 8.9568 9.4573 9.5194 9.8764 9.9582 k = 0.1563 0.5745 0.3789 ( 11387 PWs) bands (ev): -8.1429 -8.1418 -8.0938 -8.0930 -8.0047 -7.9992 -7.9193 -7.9124 -3.1891 -3.1803 -3.1561 -3.1500 -1.6767 -1.6579 -1.5263 -1.4885 -1.4635 -1.4501 -0.8340 -0.8261 0.2580 0.2876 0.3005 0.3109 0.3450 0.3561 0.4614 0.4765 0.6534 0.7340 0.8002 0.8482 0.9440 0.9870 1.0205 1.1285 1.2618 1.3364 1.4085 1.5280 1.5607 1.6295 1.6998 1.7391 2.0106 2.1186 2.3811 2.4301 2.6309 2.6858 2.7722 2.8415 2.9276 3.0034 3.1856 3.2720 3.4047 3.4617 3.5172 3.5985 3.9293 3.9913 6.6401 6.7022 8.3455 8.3813 8.6234 8.7545 8.8858 8.9836 9.4851 9.5509 9.8767 9.9673 k = 0.1339 0.5682 0.3866 ( 11394 PWs) bands (ev): -8.1463 -8.1452 -8.0969 -8.0962 -7.9954 -7.9896 -7.9219 -7.9150 -3.1887 -3.1809 -3.1551 -3.1498 -1.6751 -1.6585 -1.5236 -1.4903 -1.4618 -1.4500 -0.8301 -0.8234 0.2598 0.2873 0.3004 0.3116 0.3449 0.3552 0.4609 0.4760 0.6546 0.7260 0.8055 0.8485 0.9444 0.9889 1.0238 1.1206 1.2565 1.3304 1.4069 1.5246 1.5499 1.6152 1.7061 1.7401 1.9995 2.0955 2.3793 2.4248 2.6465 2.7007 2.7693 2.8366 2.9434 3.0130 3.1900 3.2975 3.3908 3.4641 3.5160 3.5851 3.9265 3.9880 6.6492 6.7036 8.3493 8.3809 8.6580 8.7905 8.9189 9.0108 9.5075 9.5807 9.8771 9.9581 k = 0.1116 0.5619 0.3943 ( 11390 PWs) bands (ev): -8.1491 -8.1483 -8.0996 -8.0990 -7.9864 -7.9805 -7.9250 -7.9181 -3.1881 -3.1816 -3.1542 -3.1497 -1.6735 -1.6593 -1.5207 -1.4923 -1.4600 -1.4500 -0.8266 -0.8210 0.2620 0.2867 0.3008 0.3121 0.3447 0.3542 0.4610 0.4752 0.6555 0.7160 0.8118 0.8499 0.9461 0.9895 1.0285 1.1122 1.2532 1.3228 1.4082 1.5194 1.5405 1.6011 1.7123 1.7409 1.9911 2.0736 2.3786 2.4187 2.6620 2.7159 2.7661 2.8323 2.9597 3.0233 3.1920 3.3073 3.3861 3.4641 3.5131 3.5852 3.9207 3.9807 6.6583 6.7045 8.3536 8.3808 8.6930 8.8164 8.9595 9.0382 9.5247 9.6094 9.8797 9.9347 k = 0.0893 0.5556 0.4021 ( 11392 PWs) bands (ev): -8.1515 -8.1508 -8.1018 -8.1014 -7.9780 -7.9720 -7.9285 -7.9217 -3.1875 -3.1823 -3.1533 -3.1497 -1.6718 -1.6603 -1.5177 -1.4945 -1.4584 -1.4502 -0.8235 -0.8190 0.2645 0.2856 0.3016 0.3122 0.3448 0.3531 0.4615 0.4742 0.6566 0.7051 0.8185 0.8511 0.9492 0.9886 1.0347 1.1036 1.2523 1.3138 1.4124 1.5099 1.5354 1.5878 1.7182 1.7411 1.9858 2.0535 2.3789 2.4123 2.6765 2.7294 2.7642 2.8283 2.9762 3.0338 3.1917 3.2957 3.3968 3.4606 3.5138 3.5930 3.9136 3.9699 6.6672 6.7047 8.3583 8.3807 8.7270 8.8322 9.0049 9.0651 9.5387 9.6370 9.8839 9.9021 k = 0.0670 0.5493 0.4098 ( 11392 PWs) bands (ev): -8.1533 -8.1528 -8.1036 -8.1032 -7.9702 -7.9642 -7.9324 -7.9257 -3.1869 -3.1829 -3.1525 -3.1497 -1.6701 -1.6613 -1.5147 -1.4970 -1.4568 -1.4506 -0.8209 -0.8175 0.2672 0.2839 0.3030 0.3119 0.3451 0.3518 0.4625 0.4728 0.6581 0.6944 0.8254 0.8514 0.9536 0.9862 1.0420 1.0947 1.2539 1.3036 1.4194 1.4967 1.5347 1.5754 1.7235 1.7408 1.9838 2.0355 2.3802 2.4059 2.6896 2.7362 2.7679 2.8238 2.9927 3.0426 3.1906 3.2746 3.4105 3.4534 3.5246 3.6006 3.9076 3.9566 6.6756 6.7041 8.3631 8.3804 8.7582 8.8397 9.0492 9.0904 9.5529 9.6618 9.8595 9.8926 k = 0.0446 0.5429 0.4175 ( 11392 PWs) bands (ev): -8.1546 -8.1543 -8.1048 -8.1046 -7.9630 -7.9572 -7.9365 -7.9302 -3.1863 -3.1836 -3.1518 -3.1499 -1.6685 -1.6626 -1.5116 -1.4997 -1.4554 -1.4512 -0.8188 -0.8166 0.2701 0.2816 0.3047 0.3112 0.3456 0.3504 0.4639 0.4712 0.6606 0.6847 0.8321 0.8502 0.9590 0.9823 1.0501 1.0857 1.2579 1.2929 1.4288 1.4821 1.5367 1.5643 1.7281 1.7398 1.9849 2.0199 2.3825 2.3999 2.7012 2.7345 2.7784 2.8182 3.0090 3.0473 3.1918 3.2517 3.4203 3.4454 3.5437 3.6030 3.9050 3.9419 6.6832 6.7023 8.3678 8.3795 8.7854 8.8406 9.0866 9.1117 9.5718 9.6767 9.8245 9.8938 k = 0.0223 0.5366 0.4253 ( 11386 PWs) bands (ev): -8.1554 -8.1552 -8.1055 -8.1054 -7.9566 -7.9519 -7.9399 -7.9350 -3.1857 -3.1843 -3.1511 -3.1502 -1.6669 -1.6639 -1.5085 -1.5025 -1.4541 -1.4520 -0.8174 -0.8162 0.2731 0.2790 0.3066 0.3100 0.3465 0.3490 0.4656 0.4694 0.6643 0.6763 0.8382 0.8475 0.9652 0.9772 1.0587 1.0766 1.2643 1.2823 1.4402 1.4674 1.5409 1.5548 1.7321 1.7380 1.9893 2.0069 2.3856 2.3944 2.7115 2.7285 2.7906 2.8110 3.0244 3.0456 3.1985 3.2300 3.4270 3.4384 3.5653 3.5977 3.9076 3.9276 6.6898 6.6994 8.3719 8.3779 8.8077 8.8354 9.1128 9.1248 9.5991 9.6665 9.8160 9.8726 k = 0.0000 0.5303 0.4330 ( 11388 PWs) bands (ev): -8.1556 -8.1556 -8.1057 -8.1057 -7.9519 -7.9519 -7.9393 -7.9393 -3.1850 -3.1850 -3.1506 -3.1506 -1.6653 -1.6653 -1.5054 -1.5054 -1.4530 -1.4530 -0.8165 -0.8165 0.2761 0.2761 0.3084 0.3084 0.3476 0.3476 0.4675 0.4675 0.6695 0.6695 0.8434 0.8434 0.9714 0.9714 1.0676 1.0676 1.2726 1.2726 1.4533 1.4533 1.5469 1.5469 1.7354 1.7354 1.9967 1.9967 2.3896 2.3896 2.7206 2.7206 2.8018 2.8018 3.0373 3.0373 3.2116 3.2116 3.4326 3.4326 3.5845 3.5845 3.9155 3.9155 6.6953 6.6953 8.3753 8.3753 8.8244 8.8244 9.1257 9.1257 9.6339 9.6339 9.8383 9.8383 k = 0.0000 0.5303 0.4330 ( 11388 PWs) bands (ev): -8.1556 -8.1556 -8.1057 -8.1057 -7.9519 -7.9519 -7.9393 -7.9393 -3.1850 -3.1850 -3.1506 -3.1506 -1.6653 -1.6653 -1.5054 -1.5054 -1.4530 -1.4530 -0.8165 -0.8165 0.2761 0.2761 0.3084 0.3084 0.3476 0.3476 0.4675 0.4675 0.6695 0.6695 0.8434 0.8434 0.9714 0.9714 1.0676 1.0676 1.2726 1.2726 1.4533 1.4533 1.5469 1.5469 1.7354 1.7354 1.9967 1.9967 2.3896 2.3896 2.7206 2.7206 2.8018 2.8018 3.0373 3.0373 3.2116 3.2116 3.4326 3.4326 3.5845 3.5845 3.9155 3.9155 6.6953 6.6953 8.3753 8.3753 8.8244 8.8244 9.1257 9.1257 9.6339 9.6339 9.8383 9.8383 k = 0.0100 0.5162 0.4503 ( 11388 PWs) bands (ev): -8.1554 -8.1553 -8.1057 -8.1054 -7.9521 -7.9520 -7.9396 -7.9394 -3.1850 -3.1848 -3.1511 -3.1501 -1.6665 -1.6639 -1.5056 -1.5051 -1.4531 -1.4527 -0.8171 -0.8165 0.2730 0.2788 0.3063 0.3104 0.3431 0.3521 0.4622 0.4727 0.6678 0.6706 0.8403 0.8457 0.9691 0.9712 1.0619 1.0739 1.2638 1.2810 1.4450 1.4586 1.5410 1.5508 1.7225 1.7462 1.9926 2.0057 2.3799 2.4028 2.7051 2.7210 2.7918 2.8245 3.0222 3.0582 3.2036 3.2239 3.4321 3.4359 3.5805 3.5890 3.9140 3.9159 6.6881 6.6972 8.3597 8.3804 8.8074 8.8400 9.1211 9.1358 9.6270 9.6415 9.8365 9.8472 k = 0.0200 0.5020 0.4676 ( 11396 PWs) bands (ev): -8.1549 -8.1546 -8.1053 -8.1048 -7.9526 -7.9524 -7.9401 -7.9398 -3.1850 -3.1846 -3.1516 -3.1497 -1.6675 -1.6623 -1.5058 -1.5048 -1.4532 -1.4523 -0.8184 -0.8172 0.2694 0.2810 0.3042 0.3121 0.3387 0.3562 0.4571 0.4779 0.6655 0.6710 0.8364 0.8471 0.9649 0.9679 1.0576 1.0799 1.2547 1.2890 1.4343 1.4607 1.5340 1.5518 1.7086 1.7535 1.9936 2.0193 2.3728 2.4198 2.6812 2.7056 2.7990 2.8492 3.0153 3.0825 3.2002 3.2398 3.4347 3.4421 3.5772 3.5942 3.9115 3.9153 6.6759 6.6940 8.3353 8.3742 8.7906 8.8512 9.1233 9.1507 9.6217 9.6490 9.8420 9.8622 k = 0.0300 0.4879 0.4849 ( 11390 PWs) bands (ev): -8.1540 -8.1536 -8.1046 -8.1039 -7.9534 -7.9532 -7.9411 -7.9405 -3.1848 -3.1843 -3.1520 -3.1492 -1.6682 -1.6605 -1.5058 -1.5044 -1.4531 -1.4519 -0.8204 -0.8186 0.2655 0.2828 0.3022 0.3132 0.3349 0.3600 0.4523 0.4830 0.6625 0.6709 0.8320 0.8476 0.9591 0.9615 1.0554 1.0850 1.2456 1.2964 1.4221 1.4594 1.5268 1.5493 1.6945 1.7566 1.9997 2.0368 2.3674 2.4404 2.6522 2.6868 2.8141 2.8709 3.0182 3.1080 3.2020 3.2586 3.4400 3.4508 3.5746 3.6002 3.9080 3.9136 6.6589 6.6857 8.3041 8.3571 8.7739 8.8549 9.1330 9.1698 9.6186 9.6559 9.8533 9.8814 k = 0.0400 0.4738 0.5023 ( 11402 PWs) bands (ev): -8.1527 -8.1522 -8.1035 -8.1026 -7.9546 -7.9543 -7.9423 -7.9416 -3.1845 -3.1838 -3.1524 -3.1487 -1.6686 -1.6585 -1.5058 -1.5040 -1.4529 -1.4513 -0.8229 -0.8206 0.2612 0.2841 0.3001 0.3129 0.3322 0.3634 0.4479 0.4879 0.6589 0.6701 0.8271 0.8472 0.9498 0.9540 1.0552 1.0889 1.2365 1.3033 1.4089 1.4549 1.5198 1.5434 1.6805 1.7554 2.0101 2.0573 2.3624 2.4641 2.6211 2.6711 2.8322 2.8882 3.0311 3.1328 3.2093 3.2796 3.4477 3.4615 3.5733 3.6073 3.9038 3.9109 6.6376 6.6727 8.2679 8.3307 8.7559 8.8492 9.1498 9.1932 9.6181 9.6625 9.8661 9.8978 k = 0.0500 0.4596 0.5196 ( 11396 PWs) bands (ev): -8.1511 -8.1504 -8.1021 -8.1011 -7.9561 -7.9557 -7.9438 -7.9430 -3.1841 -3.1833 -3.1528 -3.1482 -1.6688 -1.6565 -1.5056 -1.5036 -1.4525 -1.4507 -0.8261 -0.8231 0.2565 0.2848 0.2979 0.3109 0.3312 0.3662 0.4440 0.4927 0.6546 0.6688 0.8218 0.8459 0.9373 0.9465 1.0566 1.0915 1.2277 1.3096 1.3954 1.4477 1.5133 1.5347 1.6663 1.7502 2.0234 2.0793 2.3571 2.4896 2.5910 2.6612 2.8520 2.9023 3.0518 3.1558 3.2221 3.3018 3.4571 3.4739 3.5739 3.6160 3.8990 3.9074 6.6124 6.6553 8.2283 8.2974 8.7346 8.8337 9.1721 9.2207 9.6208 9.6691 9.8742 9.8978 k = 0.0600 0.4455 0.5369 ( 11400 PWs) bands (ev): -8.1491 -8.1483 -8.1004 -8.0992 -7.9578 -7.9574 -7.9457 -7.9446 -3.1836 -3.1827 -3.1531 -3.1478 -1.6687 -1.6543 -1.5054 -1.5031 -1.4521 -1.4500 -0.8298 -0.8263 0.2515 0.2847 0.2955 0.3077 0.3314 0.3685 0.4408 0.4972 0.6498 0.6670 0.8163 0.8437 0.9233 0.9383 1.0589 1.0927 1.2195 1.3153 1.3819 1.4385 1.5065 1.5245 1.6515 1.7421 2.0376 2.1004 2.3518 2.5127 2.5675 2.6587 2.8730 2.9154 3.0771 3.1770 3.2391 3.3242 3.4669 3.4876 3.5771 3.6267 3.8939 3.9031 6.5838 6.6340 8.1866 8.2592 8.7084 8.8091 9.1977 9.2520 9.6265 9.6766 9.8763 9.8940 k = 0.0700 0.4313 0.5542 ( 11404 PWs) bands (ev): -8.1467 -8.1458 -8.0984 -8.0970 -7.9599 -7.9594 -7.9479 -7.9466 -3.1830 -3.1821 -3.1535 -3.1474 -1.6683 -1.6520 -1.5050 -1.5026 -1.4515 -1.4493 -0.8340 -0.8299 0.2462 0.2835 0.2927 0.3045 0.3322 0.3701 0.4385 0.5015 0.6445 0.6646 0.8105 0.8404 0.9092 0.9294 1.0614 1.0928 1.2118 1.3204 1.3689 1.4282 1.4982 1.5151 1.6361 1.7318 2.0503 2.1177 2.3489 2.5167 2.5685 2.6639 2.8954 2.9292 3.1045 3.1974 3.2585 3.3458 3.4757 3.5024 3.5836 3.6398 3.8887 3.8984 6.5526 6.6093 8.1439 8.2181 8.6766 8.7764 9.2247 9.2865 9.6351 9.6857 9.8757 9.8935 k = 0.0800 0.4172 0.5715 ( 11404 PWs) bands (ev): -8.1440 -8.1430 -8.0961 -8.0945 -7.9623 -7.9617 -7.9503 -7.9489 -3.1824 -3.1814 -3.1537 -3.1470 -1.6677 -1.6498 -1.5045 -1.5021 -1.4509 -1.4486 -0.8385 -0.8339 0.2406 0.2807 0.2894 0.3019 0.3330 0.3711 0.4370 0.5055 0.6389 0.6618 0.8044 0.8357 0.8962 0.9201 1.0633 1.0922 1.2047 1.3248 1.3566 1.4174 1.4871 1.5082 1.6200 1.7203 2.0581 2.1280 2.3518 2.5042 2.5924 2.6765 2.9190 2.9446 3.1327 3.2179 3.2787 3.3658 3.4828 3.5179 3.5935 3.6554 3.8841 3.8936 6.5193 6.5819 8.1010 8.1757 8.6393 8.7368 9.2522 9.3230 9.6454 9.6974 9.8758 9.8976 k = 0.0900 0.4030 0.5889 ( 11400 PWs) bands (ev): -8.1410 -8.1398 -8.0936 -8.0917 -7.9649 -7.9643 -7.9531 -7.9515 -3.1816 -3.1806 -3.1540 -3.1466 -1.6668 -1.6475 -1.5039 -1.5016 -1.4502 -1.4478 -0.8435 -0.8383 0.2348 0.2763 0.2856 0.3004 0.3336 0.3715 0.4364 0.5092 0.6333 0.6587 0.7977 0.8293 0.8853 0.9110 1.0641 1.0915 1.1979 1.3285 1.3451 1.4066 1.4740 1.5036 1.6037 1.7082 2.0581 2.1298 2.3633 2.4956 2.6205 2.6951 2.9439 2.9619 3.1608 3.2384 3.2988 3.3837 3.4886 3.5329 3.6065 3.6732 3.8804 3.8889 6.4846 6.5522 8.0588 8.1332 8.5968 8.6913 9.2792 9.3605 9.6560 9.7128 9.8788 9.9063 k = 0.1000 0.3889 0.6062 ( 11398 PWs) bands (ev): -8.1376 -8.1364 -8.0907 -8.0886 -7.9678 -7.9671 -7.9561 -7.9544 -3.1808 -3.1798 -3.1542 -3.1463 -1.6657 -1.6453 -1.5032 -1.5010 -1.4495 -1.4469 -0.8486 -0.8430 0.2287 0.2706 0.2814 0.2996 0.3338 0.3713 0.4365 0.5126 0.6278 0.6555 0.7902 0.8214 0.8764 0.9032 1.0630 1.0910 1.1912 1.3313 1.3349 1.3962 1.4603 1.5003 1.5876 1.6959 2.0484 2.1235 2.3830 2.4963 2.6484 2.7181 2.9696 2.9810 3.1885 3.2585 3.3186 3.3993 3.4938 3.5461 3.6221 3.6927 3.8781 3.8850 6.4491 6.5208 8.0177 8.0913 8.5501 8.6412 9.3054 9.3977 9.6656 9.7322 9.8858 9.9199 k = 0.1100 0.3748 0.6235 ( 11390 PWs) bands (ev): -8.1340 -8.1327 -8.0875 -8.0853 -7.9710 -7.9703 -7.9593 -7.9575 -3.1800 -3.1790 -3.1543 -3.1461 -1.6643 -1.6432 -1.5025 -1.5004 -1.4487 -1.4460 -0.8540 -0.8479 0.2225 0.2642 0.2765 0.2991 0.3337 0.3705 0.4373 0.5155 0.6227 0.6523 0.7813 0.8131 0.8684 0.8979 1.0599 1.0908 1.1846 1.3252 1.3338 1.3865 1.4467 1.4976 1.5723 1.6839 2.0299 2.1106 2.4090 2.5071 2.6752 2.7439 2.9955 3.0019 3.2155 3.2773 3.3380 3.4135 3.4991 3.5563 3.6395 3.7131 3.8774 3.8825 6.4134 6.4883 7.9785 8.0510 8.5001 8.5876 9.3305 9.4338 9.6744 9.7548 9.8972 9.9383 k = 0.1200 0.3606 0.6408 ( 11394 PWs) bands (ev): -8.1302 -8.1287 -8.0841 -8.0817 -7.9744 -7.9736 -7.9629 -7.9608 -3.1791 -3.1782 -3.1544 -3.1459 -1.6628 -1.6412 -1.5016 -1.4997 -1.4481 -1.4451 -0.8595 -0.8529 0.2162 0.2573 0.2710 0.2989 0.3333 0.3692 0.4385 0.5180 0.6181 0.6493 0.7712 0.8053 0.8606 0.8957 1.0550 1.0902 1.1778 1.3172 1.3349 1.3777 1.4337 1.4951 1.5586 1.6724 2.0051 2.0925 2.4392 2.5266 2.7009 2.7711 3.0182 3.0264 3.2414 3.2949 3.3563 3.4276 3.5047 3.5630 3.6580 3.7332 3.8778 3.8827 6.3782 6.4552 7.9414 8.0128 8.4478 8.5317 9.3542 9.4677 9.6831 9.7793 9.9132 9.9611 k = 0.1300 0.3465 0.6581 ( 11392 PWs) bands (ev): -8.1261 -8.1245 -8.0805 -8.0780 -7.9781 -7.9772 -7.9666 -7.9644 -3.1782 -3.1773 -3.1544 -3.1457 -1.6610 -1.6394 -1.5008 -1.4990 -1.4474 -1.4441 -0.8649 -0.8580 0.2098 0.2503 0.2649 0.2987 0.3329 0.3671 0.4400 0.5200 0.6140 0.6468 0.7606 0.7979 0.8532 0.8961 1.0485 1.0884 1.1712 1.3107 1.3350 1.3699 1.4217 1.4921 1.5473 1.6617 1.9763 2.0707 2.4721 2.5524 2.7254 2.7988 3.0375 3.0532 3.2650 3.3122 3.3726 3.4432 3.5099 3.5671 3.6765 3.7524 3.8789 3.8862 6.3439 6.4220 7.9071 7.9771 8.3942 8.4744 9.3764 9.4984 9.6929 9.8043 9.9338 9.9879 k = 0.1400 0.3323 0.6755 ( 11394 PWs) bands (ev): -8.1218 -8.1202 -8.0767 -8.0740 -7.9819 -7.9810 -7.9705 -7.9682 -3.1773 -3.1765 -3.1544 -3.1456 -1.6591 -1.6377 -1.5000 -1.4982 -1.4469 -1.4432 -0.8703 -0.8630 0.2035 0.2432 0.2584 0.2985 0.3323 0.3643 0.4417 0.5216 0.6105 0.6448 0.7506 0.7906 0.8471 0.8984 1.0409 1.0847 1.1653 1.3056 1.3339 1.3631 1.4113 1.4877 1.5393 1.6518 1.9456 2.0467 2.5064 2.5821 2.7486 2.8265 3.0538 3.0796 3.2849 3.3305 3.3871 3.4602 3.5142 3.5706 3.6942 3.7700 3.8815 3.8919 6.3111 6.3891 7.8759 7.9444 8.3401 8.4167 9.3969 9.5253 9.7047 9.8287 9.9585 10.0177 k = 0.1500 0.3182 0.6928 ( 11410 PWs) bands (ev): -8.1174 -8.1157 -8.0726 -8.0698 -7.9859 -7.9850 -7.9747 -7.9722 -3.1764 -3.1757 -3.1543 -3.1456 -1.6571 -1.6363 -1.4991 -1.4974 -1.4464 -1.4423 -0.8756 -0.8680 0.1973 0.2362 0.2515 0.2983 0.3318 0.3609 0.4435 0.5226 0.6075 0.6433 0.7420 0.7831 0.8427 0.9017 1.0323 1.0786 1.1605 1.3020 1.3313 1.3573 1.4025 1.4816 1.5350 1.6428 1.9143 2.0218 2.5413 2.6140 2.7705 2.8541 3.0666 3.1042 3.3006 3.3486 3.4025 3.4753 3.5175 3.5768 3.7106 3.7854 3.8856 3.8989 6.2802 6.3569 7.8480 7.9149 8.2865 8.3595 9.4157 9.5476 9.7191 9.8516 9.9865 10.0496 k = 0.1600 0.3041 0.7101 ( 11408 PWs) bands (ev): -8.1128 -8.1111 -8.0684 -8.0654 -7.9900 -7.9891 -7.9790 -7.9764 -3.1756 -3.1748 -3.1541 -3.1457 -1.6550 -1.6351 -1.4983 -1.4965 -1.4459 -1.4414 -0.8806 -0.8727 0.1914 0.2292 0.2446 0.2981 0.3314 0.3570 0.4454 0.5231 0.6050 0.6420 0.7356 0.7758 0.8400 0.9057 1.0231 1.0701 1.1569 1.2995 1.3274 1.3526 1.3958 1.4742 1.5342 1.6348 1.8834 1.9972 2.5758 2.6468 2.7910 2.8816 3.0756 3.1263 3.3121 3.3634 3.4223 3.4823 3.5229 3.5892 3.7253 3.7986 3.8909 3.9062 6.2518 6.3259 7.8239 7.8890 8.2340 8.3035 9.4328 9.5653 9.7362 9.8723 10.0168 10.0827 k = 0.1700 0.2899 0.7274 ( 11420 PWs) bands (ev): -8.1083 -8.1064 -8.0639 -8.0609 -7.9942 -7.9933 -7.9834 -7.9808 -3.1749 -3.1741 -3.1539 -3.1459 -1.6528 -1.6341 -1.4975 -1.4956 -1.4454 -1.4406 -0.8853 -0.8772 0.1859 0.2224 0.2379 0.2979 0.3309 0.3527 0.4473 0.5231 0.6029 0.6406 0.7316 0.7689 0.8384 0.9099 1.0136 1.0594 1.1546 1.2982 1.3220 1.3491 1.3909 1.4659 1.5360 1.6278 1.8534 1.9736 2.6088 2.6799 2.8099 2.9084 3.0809 3.1451 3.3188 3.3747 3.4474 3.4781 3.5337 3.6080 3.7381 3.8095 3.8964 3.9129 6.2261 6.2964 7.8036 7.8668 8.1835 8.2493 9.4481 9.5789 9.7555 9.8898 10.0483 10.1158 k = 0.1800 0.2758 0.7447 ( 11412 PWs) bands (ev): -8.1037 -8.1018 -8.0594 -8.0562 -7.9984 -7.9975 -7.9880 -7.9853 -3.1742 -3.1734 -3.1536 -3.1461 -1.6506 -1.6335 -1.4968 -1.4948 -1.4451 -1.4398 -0.8896 -0.8813 0.1810 0.2158 0.2316 0.2976 0.3305 0.3484 0.4493 0.5226 0.6015 0.6387 0.7302 0.7633 0.8375 0.9140 1.0044 1.0474 1.1533 1.2977 1.3158 1.3467 1.3877 1.4576 1.5397 1.6217 1.8250 1.9516 2.6397 2.7128 2.8274 2.9339 3.0838 3.1606 3.3191 3.3844 3.4649 3.4783 3.5482 3.6309 3.7489 3.8183 3.9014 3.9184 6.2036 6.2687 7.7875 7.8484 8.1358 8.1978 9.4616 9.5889 9.7760 9.9033 10.0800 10.1476 k = 0.1900 0.2616 0.7621 ( 11406 PWs) bands (ev): -8.0992 -8.0973 -8.0547 -8.0514 -8.0025 -8.0017 -7.9927 -7.9899 -3.1735 -3.1728 -3.1532 -3.1464 -1.6484 -1.6331 -1.4960 -1.4941 -1.4447 -1.4392 -0.8934 -0.8850 0.1766 0.2095 0.2258 0.2973 0.3302 0.3442 0.4512 0.5217 0.6008 0.6361 0.7308 0.7596 0.8366 0.9178 0.9960 1.0348 1.1525 1.2979 1.3092 1.3451 1.3856 1.4496 1.5448 1.6165 1.7986 1.9317 2.6675 2.7449 2.8434 2.9563 3.0863 3.1732 3.3125 3.3914 3.4555 3.5062 3.5646 3.6548 3.7583 3.8254 3.9052 3.9220 6.1845 6.2431 7.7756 7.8338 8.0915 8.1495 9.4734 9.5961 9.7968 9.9125 10.1115 10.1771 k = 0.2000 0.2475 0.7794 ( 11414 PWs) bands (ev): -8.0949 -8.0930 -8.0499 -8.0466 -8.0064 -8.0057 -7.9974 -7.9947 -3.1729 -3.1722 -3.1527 -3.1468 -1.6463 -1.6330 -1.4953 -1.4934 -1.4444 -1.4387 -0.8968 -0.8883 0.1729 0.2035 0.2208 0.2970 0.3298 0.3404 0.4529 0.5203 0.6009 0.6328 0.7325 0.7583 0.8352 0.9210 0.9887 1.0223 1.1522 1.2981 1.3033 1.3441 1.3843 1.4422 1.5510 1.6120 1.7747 1.9142 2.6919 2.7755 2.8581 2.9731 3.0913 3.1842 3.3004 3.3889 3.4528 3.5342 3.5820 3.6771 3.7666 3.8311 3.9074 3.9235 6.1690 6.2200 7.7679 7.8227 8.0518 8.1050 9.4835 9.6011 9.8172 9.9176 10.1423 10.2040 k = 0.2100 0.2334 0.7967 ( 11412 PWs) bands (ev): -8.0910 -8.0891 -8.0451 -8.0417 -8.0100 -8.0095 -8.0022 -7.9995 -3.1724 -3.1718 -3.1522 -3.1472 -1.6442 -1.6332 -1.4947 -1.4929 -1.4441 -1.4383 -0.8996 -0.8910 0.1700 0.1982 0.2167 0.2967 0.3294 0.3371 0.4546 0.5187 0.6017 0.6290 0.7341 0.7600 0.8328 0.9237 0.9827 1.0108 1.1521 1.2956 1.3008 1.3436 1.3837 1.4356 1.5579 1.6079 1.7536 1.8995 2.7125 2.8034 2.8721 2.9816 3.1012 3.1947 3.2846 3.3747 3.4598 3.5597 3.5995 3.6953 3.7750 3.8359 3.9079 3.9227 6.1573 6.1996 7.7642 7.8146 8.0177 8.0651 9.4918 9.6043 9.8364 9.9191 10.1719 10.2282 k = 0.2200 0.2192 0.8140 ( 11408 PWs) bands (ev): -8.0875 -8.0857 -8.0403 -8.0369 -8.0131 -8.0129 -8.0069 -8.0043 -3.1720 -3.1715 -3.1516 -3.1477 -1.6422 -1.6336 -1.4941 -1.4926 -1.4439 -1.4379 -0.9019 -0.8932 0.1678 0.1937 0.2134 0.2964 0.3290 0.3346 0.4560 0.5172 0.6034 0.6249 0.7350 0.7643 0.8293 0.9262 0.9778 1.0012 1.1521 1.2911 1.3014 1.3433 1.3835 1.4301 1.5653 1.6040 1.7361 1.8878 2.7289 2.8269 2.8858 2.9815 3.1162 3.2060 3.2670 3.3546 3.4706 3.5812 3.6157 3.7076 3.7840 3.8405 3.9071 3.9198 6.1495 6.1821 7.7641 7.8087 7.9905 8.0306 9.4984 9.6061 9.8541 9.9178 10.1992 10.2485 k = 0.2300 0.2051 0.8313 ( 11404 PWs) bands (ev): -8.0848 -8.0831 -8.0356 -8.0322 -8.0157 -8.0154 -8.0113 -8.0091 -3.1717 -3.1713 -3.1510 -3.1482 -1.6404 -1.6343 -1.4936 -1.4923 -1.4437 -1.4377 -0.9035 -0.8948 0.1663 0.1902 0.2111 0.2962 0.3285 0.3330 0.4570 0.5159 0.6057 0.6206 0.7355 0.7699 0.8252 0.9285 0.9734 0.9944 1.1521 1.2875 1.3022 1.3433 1.3836 1.4258 1.5727 1.5999 1.7227 1.8794 2.7409 2.8443 2.8998 2.9755 3.1331 3.2184 3.2495 3.3332 3.4804 3.5976 3.6293 3.7141 3.7926 3.8451 3.9055 3.9155 6.1456 6.1678 7.7667 7.8040 7.9719 8.0023 9.5032 9.6070 9.8697 9.9141 10.2220 10.2636 k = 0.2400 0.1909 0.8487 ( 11394 PWs) bands (ev): -8.0831 -8.0814 -8.0313 -8.0284 -8.0177 -8.0167 -8.0149 -8.0136 -3.1715 -3.1713 -3.1505 -3.1487 -1.6390 -1.6352 -1.4933 -1.4922 -1.4436 -1.4376 -0.9045 -0.8957 0.1655 0.1880 0.2097 0.2960 0.3280 0.3322 0.4577 0.5150 0.6085 0.6166 0.7357 0.7748 0.8214 0.9304 0.9698 0.9907 1.1522 1.2853 1.3027 1.3433 1.3838 1.4231 1.5794 1.5957 1.7143 1.8742 2.7482 2.8545 2.9128 2.9670 3.1475 3.2302 3.2353 3.3149 3.4870 3.6078 3.6385 3.7164 3.7988 3.8493 3.9039 3.9114 6.1454 6.1568 7.7704 7.8000 7.9630 7.9818 9.5061 9.6073 9.8823 9.9088 10.2376 10.2725 k = 0.2500 0.1768 0.8660 ( 11392 PWs) bands (ev): -8.0825 -8.0808 -8.0289 -8.0272 -8.0176 -8.0170 -8.0169 -8.0162 -3.1713 -3.1713 -3.1503 -3.1489 -1.6382 -1.6357 -1.4932 -1.4922 -1.4436 -1.4375 -0.9048 -0.8960 0.1652 0.1873 0.2092 0.2960 0.3278 0.3319 0.4580 0.5147 0.6108 0.6140 0.7358 0.7768 0.8197 0.9312 0.9683 0.9895 1.1522 1.2845 1.3029 1.3433 1.3839 1.4222 1.5830 1.5930 1.7114 1.8725 2.7507 2.8578 2.9190 2.9624 3.1537 3.2287 3.2365 3.3069 3.4893 3.6113 3.6418 3.7169 3.8011 3.8511 3.9033 3.9097 6.1482 6.1504 7.7724 7.7982 7.9618 7.9730 9.5071 9.6074 9.8885 9.9050 10.2431 10.2754 k = 0.2500 0.1768 0.8660 ( 11392 PWs) bands (ev): -8.0825 -8.0808 -8.0289 -8.0272 -8.0176 -8.0170 -8.0169 -8.0162 -3.1713 -3.1713 -3.1503 -3.1489 -1.6382 -1.6357 -1.4932 -1.4922 -1.4436 -1.4375 -0.9048 -0.8960 0.1652 0.1873 0.2092 0.2960 0.3278 0.3319 0.4580 0.5147 0.6108 0.6140 0.7358 0.7768 0.8197 0.9312 0.9683 0.9895 1.1522 1.2845 1.3029 1.3433 1.3839 1.4222 1.5830 1.5930 1.7114 1.8725 2.7507 2.8578 2.9190 2.9624 3.1537 3.2287 3.2365 3.3069 3.4893 3.6113 3.6418 3.7169 3.8011 3.8511 3.9033 3.9097 6.1482 6.1504 7.7724 7.7982 7.9618 7.9730 9.5071 9.6074 9.8885 9.9050 10.2431 10.2754 k = 0.2656 0.1878 0.8524 ( 11400 PWs) bands (ev): -8.0827 -8.0810 -8.0297 -8.0275 -8.0179 -8.0170 -8.0162 -8.0152 -3.1714 -3.1713 -3.1504 -3.1488 -1.6385 -1.6355 -1.4933 -1.4923 -1.4435 -1.4375 -0.9048 -0.8960 0.1653 0.1875 0.2094 0.2955 0.3279 0.3321 0.4581 0.5148 0.6100 0.6153 0.7356 0.7763 0.8198 0.9315 0.9655 0.9933 1.1516 1.2818 1.3051 1.3433 1.3839 1.4219 1.5823 1.5938 1.7151 1.8743 2.7474 2.8493 2.9184 2.9578 3.1564 3.2185 3.2499 3.3104 3.4894 3.6114 3.6413 3.7168 3.8005 3.8514 3.9020 3.9125 6.1451 6.1512 7.7733 7.8004 7.9613 7.9746 9.5094 9.6101 9.8858 9.9047 10.2418 10.2711 k = 0.2812 0.1989 0.8389 ( 11405 PWs) bands (ev): -8.0831 -8.0814 -8.0311 -8.0285 -8.0178 -8.0169 -8.0151 -8.0132 -3.1716 -3.1712 -3.1506 -3.1486 -1.6390 -1.6351 -1.4934 -1.4924 -1.4434 -1.4375 -0.9047 -0.8961 0.1656 0.1879 0.2102 0.2942 0.3282 0.3326 0.4584 0.5152 0.6086 0.6179 0.7351 0.7748 0.8204 0.9324 0.9603 1.0016 1.1498 1.2761 1.3095 1.3434 1.3841 1.4210 1.5812 1.5959 1.7254 1.8796 2.7380 2.8285 2.9135 2.9449 3.1605 3.2115 3.2663 3.3223 3.4899 3.6117 3.6400 3.7163 3.7985 3.8518 3.9009 3.9190 6.1395 6.1498 7.7764 7.8065 7.9614 7.9781 9.5164 9.6182 9.8791 9.9031 10.2379 10.2596 k = 0.2969 0.2099 0.8254 ( 11405 PWs) bands (ev): -8.0836 -8.0820 -8.0325 -8.0299 -8.0175 -8.0167 -8.0136 -8.0113 -3.1718 -3.1711 -3.1508 -3.1484 -1.6397 -1.6348 -1.4938 -1.4924 -1.4431 -1.4374 -0.9045 -0.8962 0.1660 0.1887 0.2116 0.2921 0.3285 0.3335 0.4588 0.5158 0.6071 0.6211 0.7345 0.7720 0.8221 0.9335 0.9561 1.0118 1.1469 1.2694 1.3139 1.3437 1.3846 1.4196 1.5809 1.5991 1.7410 1.8880 2.7231 2.8011 2.9010 2.9264 3.1624 3.2094 3.2837 3.3401 3.4911 3.6122 3.6387 3.7150 3.7949 3.8513 3.9022 3.9276 6.1323 6.1455 7.7822 7.8162 7.9631 7.9828 9.5277 9.6319 9.8693 9.9003 10.2300 10.2437 k = 0.3125 0.2210 0.8118 ( 11407 PWs) bands (ev): -8.0843 -8.0827 -8.0337 -8.0312 -8.0172 -8.0164 -8.0123 -8.0098 -3.1721 -3.1710 -3.1511 -3.1482 -1.6406 -1.6345 -1.4946 -1.4922 -1.4429 -1.4373 -0.9043 -0.8962 0.1666 0.1896 0.2135 0.2896 0.3287 0.3347 0.4594 0.5164 0.6056 0.6247 0.7343 0.7681 0.8249 0.9337 0.9544 1.0231 1.1433 1.2626 1.3174 1.3446 1.3855 1.4181 1.5817 1.6029 1.7606 1.8992 2.7036 2.7704 2.8810 2.9044 3.1637 3.2086 3.3033 3.3589 3.4934 3.6124 3.6375 3.7136 3.7893 3.8491 3.9068 3.9378 6.1240 6.1386 7.7904 7.8284 7.9671 7.9892 9.5423 9.6506 9.8569 9.8977 10.2161 10.2264 k = 0.3281 0.2320 0.7983 ( 11399 PWs) bands (ev): -8.0849 -8.0833 -8.0347 -8.0323 -8.0167 -8.0159 -8.0112 -8.0087 -3.1725 -3.1710 -3.1515 -3.1481 -1.6415 -1.6343 -1.4956 -1.4920 -1.4426 -1.4373 -0.9040 -0.8962 0.1672 0.1905 0.2160 0.2868 0.3287 0.3363 0.4601 0.5169 0.6036 0.6286 0.7347 0.7637 0.8288 0.9327 0.9559 1.0350 1.1391 1.2559 1.3195 1.3463 1.3868 1.4169 1.5840 1.6072 1.7834 1.9129 2.6805 2.7382 2.8556 2.8797 3.1663 3.2071 3.3231 3.3754 3.4972 3.6119 3.6363 3.7129 3.7818 3.8452 3.9142 3.9490 6.1151 6.1297 7.8005 7.8421 7.9742 7.9980 9.5589 9.6737 9.8426 9.8968 10.1978 10.2074 k = 0.3438 0.2431 0.7848 ( 11401 PWs) bands (ev): -8.0854 -8.0839 -8.0353 -8.0331 -8.0162 -8.0153 -8.0106 -8.0081 -3.1729 -3.1709 -3.1518 -3.1479 -1.6425 -1.6343 -1.4968 -1.4916 -1.4423 -1.4373 -0.9036 -0.8962 0.1678 0.1916 0.2188 0.2842 0.3284 0.3383 0.4608 0.5171 0.6008 0.6327 0.7361 0.7594 0.8336 0.9313 0.9597 1.0473 1.1346 1.2495 1.3201 1.3489 1.3881 1.4165 1.5875 1.6117 1.8088 1.9287 2.6551 2.7056 2.8272 2.8526 3.1705 3.2050 3.3406 3.3879 3.5026 3.6103 3.6347 3.7136 3.7724 3.8401 3.9232 3.9605 6.1065 6.1197 7.8117 7.8558 7.9855 8.0099 9.5754 9.6999 9.8281 9.8990 10.1787 10.1863 k = 0.3594 0.2541 0.7712 ( 11414 PWs) bands (ev): -8.0859 -8.0845 -8.0356 -8.0336 -8.0156 -8.0146 -8.0105 -8.0080 -3.1734 -3.1708 -3.1522 -3.1479 -1.6435 -1.6345 -1.4982 -1.4912 -1.4420 -1.4375 -0.9032 -0.8961 0.1685 0.1927 0.2215 0.2821 0.3279 0.3406 0.4616 0.5171 0.5972 0.6371 0.7383 0.7558 0.8392 0.9304 0.9647 1.0596 1.1302 1.2435 1.3194 1.3523 1.3891 1.4173 1.5921 1.6164 1.8360 1.9461 2.6284 2.6734 2.7973 2.8242 3.1754 3.2025 3.3545 3.3962 3.5091 3.6069 3.6328 3.7162 3.7614 3.8343 3.9324 3.9715 6.0989 6.1095 7.8234 7.8682 8.0015 8.0255 9.5893 9.7261 9.8168 9.9057 10.1600 10.1646 k = 0.3750 0.2652 0.7577 ( 11412 PWs) bands (ev): -8.0862 -8.0849 -8.0357 -8.0339 -8.0151 -8.0138 -8.0108 -8.0085 -3.1740 -3.1707 -3.1526 -3.1479 -1.6447 -1.6348 -1.4996 -1.4907 -1.4418 -1.4378 -0.9026 -0.8959 0.1692 0.1939 0.2239 0.2810 0.3271 0.3430 0.4624 0.5167 0.5926 0.6413 0.7406 0.7543 0.8454 0.9303 0.9703 1.0717 1.1265 1.2380 1.3180 1.3562 1.3897 1.4196 1.5975 1.6210 1.8647 1.9649 2.6015 2.6420 2.7669 2.7956 3.1798 3.1999 3.3645 3.4009 3.5159 3.6012 3.6308 3.7198 3.7498 3.8285 3.9407 3.9810 6.0932 6.1001 7.8350 7.8788 8.0217 8.0455 9.5977 9.7449 9.8166 9.9179 10.1404 10.1456 k = 0.3906 0.2762 0.7442 ( 11413 PWs) bands (ev): -8.0863 -8.0851 -8.0355 -8.0340 -8.0148 -8.0129 -8.0117 -8.0092 -3.1746 -3.1706 -3.1530 -3.1479 -1.6459 -1.6352 -1.5012 -1.4902 -1.4417 -1.4382 -0.9018 -0.8955 0.1700 0.1953 0.2256 0.2810 0.3263 0.3457 0.4631 0.5160 0.5873 0.6452 0.7416 0.7567 0.8522 0.9313 0.9759 1.0825 1.1244 1.2332 1.3163 1.3603 1.3900 1.4233 1.6035 1.6254 1.8941 1.9843 2.5752 2.6120 2.7368 2.7681 3.1816 3.1981 3.3710 3.4029 3.5218 3.5931 3.6291 3.7200 3.7417 3.8229 3.9468 3.9881 6.0897 6.0930 7.8465 7.8881 8.0448 8.0699 9.5977 9.7488 9.8350 9.9362 10.1194 10.1309 k = 0.4062 0.2873 0.7306 ( 11415 PWs) bands (ev): -8.0862 -8.0851 -8.0351 -8.0340 -8.0153 -8.0131 -8.0118 -8.0095 -3.1752 -3.1705 -3.1535 -3.1480 -1.6472 -1.6358 -1.5027 -1.4898 -1.4417 -1.4388 -0.9010 -0.8950 0.1708 0.1968 0.2265 0.2825 0.3254 0.3484 0.4636 0.5152 0.5816 0.6481 0.7420 0.7624 0.8595 0.9333 0.9812 1.0904 1.1256 1.2291 1.3146 1.3643 1.3905 1.4281 1.6097 1.6295 1.9237 2.0039 2.5500 2.5841 2.7077 2.7430 3.1785 3.1982 3.3745 3.4032 3.5261 3.5832 3.6274 3.7097 3.7439 3.8179 3.9501 3.9920 6.0866 6.0912 7.8580 7.8969 8.0689 8.0983 9.5881 9.7442 9.8637 9.9597 10.0994 10.1194 k = 0.4219 0.2983 0.7171 ( 11420 PWs) bands (ev): -8.0860 -8.0850 -8.0345 -8.0338 -8.0165 -8.0152 -8.0106 -8.0091 -3.1758 -3.1704 -3.1539 -3.1482 -1.6486 -1.6365 -1.5043 -1.4893 -1.4418 -1.4395 -0.8999 -0.8943 0.1717 0.1983 0.2268 0.2851 0.3246 0.3511 0.4638 0.5142 0.5757 0.6498 0.7434 0.7698 0.8671 0.9364 0.9860 1.0941 1.1315 1.2260 1.3133 1.3681 1.3914 1.4338 1.6160 1.6332 1.9526 2.0228 2.5259 2.5593 2.6804 2.7210 3.1711 3.1988 3.3754 3.4026 3.5280 3.5721 3.6251 3.6934 3.7517 3.8138 3.9498 3.9923 6.0851 6.0947 7.8700 7.9061 8.0928 8.1293 9.5695 9.7369 9.8921 9.9856 10.0817 10.1115 k = 0.4375 0.3094 0.7036 ( 11418 PWs) bands (ev): -8.0856 -8.0848 -8.0342 -8.0335 -8.0182 -8.0177 -8.0093 -8.0081 -3.1765 -3.1703 -3.1544 -3.1484 -1.6500 -1.6373 -1.5058 -1.4889 -1.4422 -1.4403 -0.8988 -0.8935 0.1729 0.1997 0.2270 0.2886 0.3241 0.3538 0.4637 0.5131 0.5701 0.6500 0.7464 0.7780 0.8750 0.9406 0.9899 1.0947 1.1406 1.2244 1.3123 1.3714 1.3932 1.4401 1.6220 1.6365 1.9800 2.0403 2.5029 2.5388 2.6557 2.7028 3.1604 3.1980 3.3737 3.4018 3.5271 3.5611 3.6218 3.6747 3.7610 3.8107 3.9457 3.9889 6.0870 6.1019 7.8827 7.9163 8.1160 8.1612 9.5437 9.7269 9.9119 10.0039 10.0714 10.1086 k = 0.4531 0.3204 0.6900 ( 11412 PWs) bands (ev): -8.0852 -8.0845 -8.0348 -8.0331 -8.0205 -8.0195 -8.0079 -8.0067 -3.1771 -3.1703 -3.1549 -3.1487 -1.6515 -1.6382 -1.5073 -1.4884 -1.4429 -1.4411 -0.8975 -0.8925 0.1742 0.2010 0.2273 0.2924 0.3239 0.3566 0.4632 0.5120 0.5650 0.6488 0.7508 0.7866 0.8829 0.9458 0.9927 1.0946 1.1505 1.2247 1.3120 1.3740 1.3963 1.4468 1.6276 1.6393 2.0046 2.0559 2.4814 2.5232 2.6346 2.6889 3.1470 3.1949 3.3693 3.4013 3.5226 3.5515 3.6169 3.6546 3.7707 3.8084 3.9381 3.9822 6.0925 6.1126 7.8964 7.9280 8.1379 8.1924 9.5124 9.7126 9.9142 9.9916 10.0823 10.1120 k = 0.4688 0.3315 0.6765 ( 11408 PWs) bands (ev): -8.0849 -8.0843 -8.0361 -8.0331 -8.0227 -8.0203 -8.0064 -8.0052 -3.1778 -3.1702 -3.1554 -3.1489 -1.6530 -1.6392 -1.5087 -1.4881 -1.4439 -1.4418 -0.8960 -0.8915 0.1758 0.2019 0.2284 0.2962 0.3243 0.3592 0.4623 0.5109 0.5604 0.6466 0.7562 0.7953 0.8907 0.9518 0.9945 1.0949 1.1595 1.2278 1.3124 1.3760 1.4008 1.4537 1.6326 1.6418 2.0250 2.0690 2.4625 2.5122 2.6182 2.6794 3.1311 3.1888 3.3620 3.4012 3.5142 3.5445 3.6102 3.6335 3.7794 3.8064 3.9279 3.9735 6.1017 6.1263 7.9113 7.9415 8.1581 8.2216 9.4775 9.6923 9.8924 9.9533 10.0941 10.1249 k = 0.4844 0.3425 0.6630 ( 11397 PWs) bands (ev): -8.0850 -8.0843 -8.0383 -8.0342 -8.0235 -8.0202 -8.0047 -8.0035 -3.1785 -3.1703 -3.1558 -3.1492 -1.6545 -1.6402 -1.5100 -1.4877 -1.4451 -1.4425 -0.8945 -0.8904 0.1776 0.2026 0.2303 0.2994 0.3254 0.3619 0.4610 0.5097 0.5567 0.6437 0.7620 0.8039 0.8982 0.9584 0.9954 1.0962 1.1664 1.2343 1.3136 1.3776 1.4063 1.4607 1.6365 1.6442 2.0395 2.0796 2.4476 2.5052 2.6076 2.6741 3.1130 3.1798 3.3521 3.4002 3.5036 3.5396 3.6014 3.6122 3.7850 3.8036 3.9170 3.9648 6.1140 6.1425 7.9271 7.9567 8.1763 8.2478 9.4403 9.6649 9.8488 9.9057 10.0897 10.1477 k = 0.5000 0.3536 0.6495 ( 11380 PWs) bands (ev): -8.0856 -8.0850 -8.0408 -8.0364 -8.0229 -8.0192 -8.0029 -8.0017 -3.1791 -3.1703 -3.1563 -3.1495 -1.6560 -1.6413 -1.5112 -1.4875 -1.4465 -1.4433 -0.8928 -0.8892 0.1798 0.2033 0.2330 0.3019 0.3272 0.3646 0.4594 0.5085 0.5538 0.6407 0.7676 0.8121 0.9052 0.9650 0.9958 1.0986 1.1713 1.2439 1.3155 1.3792 1.4127 1.4679 1.6391 1.6470 2.0470 2.0876 2.4376 2.5014 2.6035 2.6731 3.0929 3.1678 3.3397 3.3967 3.4932 3.5347 3.5906 3.5922 3.7838 3.7991 3.9083 3.9588 6.1289 6.1604 7.9432 7.9736 8.1926 8.2700 9.4025 9.6302 9.7934 9.8540 10.0852 10.1631 k = 0.5000 0.3536 0.6495 ( 11380 PWs) bands (ev): -8.0856 -8.0850 -8.0408 -8.0364 -8.0229 -8.0192 -8.0029 -8.0017 -3.1791 -3.1703 -3.1563 -3.1495 -1.6560 -1.6413 -1.5112 -1.4875 -1.4465 -1.4433 -0.8928 -0.8892 0.1798 0.2033 0.2330 0.3019 0.3272 0.3646 0.4594 0.5085 0.5538 0.6407 0.7676 0.8121 0.9052 0.9650 0.9958 1.0986 1.1713 1.2439 1.3155 1.3792 1.4127 1.4679 1.6391 1.6470 2.0470 2.0876 2.4376 2.5014 2.6035 2.6731 3.0929 3.1678 3.3397 3.3967 3.4932 3.5347 3.5906 3.5922 3.7838 3.7991 3.9083 3.9588 6.1289 6.1604 7.9432 7.9736 8.1926 8.2700 9.4025 9.6302 9.7934 9.8540 10.0852 10.1631 k = 0.5000 0.3536 0.6254 ( 11388 PWs) bands (ev): -8.0879 -8.0873 -8.0453 -8.0408 -8.0204 -8.0166 -7.9995 -7.9983 -3.1802 -3.1705 -3.1571 -3.1501 -1.6586 -1.6433 -1.5132 -1.4871 -1.4493 -1.4448 -0.8899 -0.8875 0.1842 0.2045 0.2388 0.3043 0.3321 0.3695 0.4561 0.5059 0.5503 0.6355 0.7776 0.8263 0.9166 0.9749 0.9976 1.1036 1.1790 1.2639 1.3205 1.3817 1.4258 1.4811 1.6425 1.6530 2.0544 2.0999 2.4243 2.4971 2.6022 2.6739 3.0544 3.1426 3.3152 3.3864 3.4755 3.5240 3.5634 3.5661 3.7735 3.7891 3.8964 3.9522 6.1580 6.1939 7.9719 8.0052 8.2190 8.3041 9.3325 9.5570 9.6909 9.7560 10.0794 10.1769 k = 0.5000 0.3536 0.6013 ( 11382 PWs) bands (ev): -8.0907 -8.0901 -8.0502 -8.0455 -8.0173 -8.0134 -7.9958 -7.9945 -3.1813 -3.1707 -3.1579 -3.1507 -1.6611 -1.6454 -1.5152 -1.4867 -1.4523 -1.4463 -0.8874 -0.8864 0.1891 0.2060 0.2452 0.3049 0.3386 0.3749 0.4530 0.5026 0.5486 0.6312 0.7879 0.8398 0.9269 0.9823 1.0022 1.1090 1.1876 1.2840 1.3274 1.3839 1.4410 1.4959 1.6464 1.6603 2.0627 2.1133 2.4110 2.4927 2.6012 2.6730 3.0137 3.1145 3.2895 3.3751 3.4564 3.5118 3.5354 3.5445 3.7635 3.7794 3.8841 3.9451 6.1881 6.2284 8.0005 8.0370 8.2431 8.3341 9.2577 9.4754 9.5900 9.6552 10.0716 10.1742 k = 0.5000 0.3536 0.5773 ( 11400 PWs) bands (ev): -8.0940 -8.0934 -8.0553 -8.0505 -8.0136 -8.0095 -7.9919 -7.9906 -3.1823 -3.1709 -3.1587 -3.1514 -1.6635 -1.6476 -1.5172 -1.4864 -1.4555 -1.4480 -0.8860 -0.8853 0.1943 0.2079 0.2517 0.3045 0.3457 0.3807 0.4500 0.4987 0.5482 0.6276 0.7982 0.8518 0.9359 0.9879 1.0090 1.1151 1.1967 1.3023 1.3373 1.3861 1.4582 1.5121 1.6508 1.6690 2.0718 2.1275 2.3978 2.4883 2.6007 2.6701 2.9721 3.0840 3.2628 3.3616 3.4366 3.4977 3.5090 3.5269 3.7537 3.7703 3.8714 3.9375 6.2186 6.2631 8.0283 8.0685 8.2641 8.3589 9.1796 9.3884 9.4917 9.5542 10.0568 10.1517 k = 0.5000 0.3536 0.5532 ( 11386 PWs) bands (ev): -8.0978 -8.0973 -8.0607 -8.0558 -8.0094 -8.0051 -7.9878 -7.9864 -3.1833 -3.1711 -3.1595 -3.1522 -1.6657 -1.6499 -1.5192 -1.4862 -1.4589 -1.4497 -0.8865 -0.8839 0.1998 0.2104 0.2584 0.3037 0.3528 0.3868 0.4473 0.4948 0.5489 0.6249 0.8081 0.8616 0.9434 0.9928 1.0179 1.1224 1.2064 1.3169 1.3511 1.3883 1.4772 1.5301 1.6560 1.6792 2.0818 2.1426 2.3854 2.4840 2.6007 2.6645 2.9310 3.0518 3.2354 3.3446 3.4175 3.4823 3.4855 3.5125 3.7442 3.7616 3.8585 3.9295 6.2489 6.2975 8.0544 8.0990 8.2817 8.3778 9.0996 9.2987 9.3961 9.4541 10.0306 10.1104 k = 0.5000 0.3536 0.5292 ( 11406 PWs) bands (ev): -8.1021 -8.1015 -8.0663 -8.0613 -8.0047 -8.0003 -7.9835 -7.9820 -3.1842 -3.1714 -3.1603 -3.1530 -1.6677 -1.6520 -1.5212 -1.4861 -1.4625 -1.4515 -0.8878 -0.8832 0.2053 0.2137 0.2650 0.3028 0.3595 0.3932 0.4448 0.4910 0.5506 0.6228 0.8172 0.8688 0.9490 0.9967 1.0293 1.1309 1.2164 1.3280 1.3679 1.3906 1.4978 1.5499 1.6618 1.6908 2.0925 2.1580 2.3742 2.4799 2.6013 2.6556 2.8919 3.0186 3.2076 3.3231 3.4009 3.4621 3.4700 3.4995 3.7350 3.7534 3.8454 3.9212 6.2787 6.3309 8.0782 8.1280 8.2960 8.3905 9.0192 9.2083 9.3029 9.3559 9.9903 10.0534 k = 0.5000 0.3536 0.5051 ( 11396 PWs) bands (ev): -8.1067 -8.1062 -8.0719 -8.0669 -7.9997 -7.9952 -7.9790 -7.9775 -3.1849 -3.1717 -3.1611 -3.1538 -1.6695 -1.6541 -1.5232 -1.4861 -1.4661 -1.4534 -0.8899 -0.8832 0.2106 0.2178 0.2714 0.3021 0.3658 0.3998 0.4427 0.4876 0.5531 0.6214 0.8252 0.8735 0.9525 0.9988 1.0445 1.1411 1.2265 1.3374 1.3852 1.3930 1.5197 1.5717 1.6685 1.7037 2.1038 2.1732 2.3650 2.4759 2.6025 2.6429 2.8560 2.9850 3.1801 3.2978 3.3873 3.4427 3.4576 3.4869 3.7263 3.7459 3.8322 3.9126 6.3073 6.3629 8.0987 8.1548 8.3072 8.3974 8.9395 9.1191 9.2120 9.2599 9.9353 9.9841 k = 0.5000 0.3536 0.4811 ( 11416 PWs) bands (ev): -8.1116 -8.1111 -8.0777 -8.0727 -7.9943 -7.9897 -7.9744 -7.9729 -3.1856 -3.1719 -3.1618 -3.1547 -1.6711 -1.6560 -1.5251 -1.4862 -1.4698 -1.4554 -0.8930 -0.8841 0.2154 0.2228 0.2774 0.3016 0.3716 0.4062 0.4412 0.4847 0.5563 0.6204 0.8318 0.8758 0.9540 0.9987 1.0631 1.1528 1.2367 1.3460 1.3953 1.4015 1.5425 1.5954 1.6762 1.7174 2.1155 2.1874 2.3589 2.4721 2.6032 2.6269 2.8245 2.9519 3.1535 3.2704 3.3760 3.4256 3.4469 3.4741 3.7179 3.7390 3.8188 3.9037 6.3343 6.3929 8.1155 8.1791 8.3158 8.3991 8.8612 9.0321 9.1236 9.1665 9.8664 9.9053 k = 0.5000 0.3536 0.4570 ( 11406 PWs) bands (ev): -8.1167 -8.1162 -8.0834 -8.0785 -7.9887 -7.9841 -7.9697 -7.9682 -3.1860 -3.1722 -3.1626 -3.1555 -1.6726 -1.6576 -1.5271 -1.4865 -1.4735 -1.4574 -0.8969 -0.8858 0.2199 0.2285 0.2826 0.3017 0.3771 0.4123 0.4403 0.4826 0.5600 0.6198 0.8367 0.8765 0.9539 0.9964 1.0846 1.1659 1.2469 1.3543 1.3977 1.4161 1.5661 1.6208 1.6850 1.7318 2.1272 2.1996 2.3569 2.4683 2.5957 2.6160 2.7976 2.9202 3.1286 3.2425 3.3661 3.4106 3.4378 3.4611 3.7099 3.7328 3.8055 3.8948 6.3593 6.4203 8.1277 8.2003 8.3221 8.3962 8.7853 8.9481 9.0378 9.0760 9.7854 9.8192 k = 0.5000 0.3536 0.4330 ( 11418 PWs) bands (ev): -8.1220 -8.1214 -8.0891 -8.0842 -7.9829 -7.9783 -7.9650 -7.9634 -3.1864 -3.1725 -3.1633 -3.1564 -1.6738 -1.6590 -1.5290 -1.4870 -1.4771 -1.4595 -0.9016 -0.8884 0.2243 0.2344 0.2866 0.3026 0.3824 0.4180 0.4401 0.4815 0.5642 0.6196 0.8397 0.8757 0.9523 0.9922 1.1077 1.1800 1.2571 1.3623 1.4000 1.4286 1.5901 1.6473 1.6952 1.7463 2.1384 2.2090 2.3597 2.4646 2.5742 2.6173 2.7748 2.8907 3.1061 3.2154 3.3569 3.3975 3.4300 3.4477 3.7022 3.7273 3.7921 3.8858 6.3819 6.4448 8.1353 8.2180 8.3263 8.3899 8.7121 8.8676 8.9549 8.9888 9.6947 9.7273 k = 0.5000 0.3536 0.4089 ( 11414 PWs) bands (ev): -8.1274 -8.1268 -8.0948 -8.0900 -7.9770 -7.9724 -7.9602 -7.9586 -3.1865 -3.1727 -3.1640 -3.1572 -1.6749 -1.6600 -1.5308 -1.4878 -1.4806 -1.4617 -0.9070 -0.8918 0.2287 0.2403 0.2892 0.3044 0.3876 0.4231 0.4407 0.4815 0.5687 0.6195 0.8411 0.8740 0.9494 0.9864 1.1318 1.1949 1.2674 1.3701 1.4023 1.4391 1.6144 1.6738 1.7075 1.7607 2.1480 2.2160 2.3663 2.4608 2.5495 2.6218 2.7551 2.8647 3.0866 3.1900 3.3479 3.3862 3.4235 3.4340 3.6948 3.7226 3.7789 3.8769 6.4017 6.4661 8.1381 8.2319 8.3286 8.3814 8.6422 8.7908 8.8752 8.9051 9.5968 9.6308 k = 0.5000 0.3536 0.3849 ( 11408 PWs) bands (ev): -8.1328 -8.1322 -8.1003 -8.0957 -7.9710 -7.9664 -7.9555 -7.9539 -3.1865 -3.1730 -3.1647 -3.1581 -1.6757 -1.6608 -1.5327 -1.4889 -1.4838 -1.4638 -0.9130 -0.8959 0.2332 0.2460 0.2904 0.3068 0.3928 0.4276 0.4422 0.4826 0.5735 0.6196 0.8409 0.8715 0.9454 0.9793 1.1562 1.2102 1.2778 1.3777 1.4045 1.4477 1.6386 1.6977 1.7238 1.7747 2.1551 2.2221 2.3739 2.4574 2.5262 2.6266 2.7380 2.8439 3.0704 3.1670 3.3388 3.3767 3.4176 3.4207 3.6876 3.7186 3.7659 3.8682 6.4186 6.4838 8.1365 8.2415 8.3283 8.3718 8.5757 8.7180 8.7991 8.8251 9.4945 9.5308 k = 0.5000 0.3536 0.3608 ( 11404 PWs) bands (ev): -8.1383 -8.1376 -8.1056 -8.1012 -7.9651 -7.9606 -7.9508 -7.9492 -3.1864 -3.1732 -3.1654 -3.1589 -1.6765 -1.6611 -1.5344 -1.4907 -1.4865 -1.4661 -0.9194 -0.9008 0.2376 0.2514 0.2909 0.3091 0.3982 0.4319 0.4445 0.4848 0.5784 0.6199 0.8393 0.8683 0.9404 0.9710 1.1805 1.2256 1.2881 1.3848 1.4066 1.4546 1.6622 1.7164 1.7456 1.7890 2.1587 2.2287 2.3776 2.4557 2.5069 2.6298 2.7241 2.8298 3.0578 3.1470 3.3296 3.3687 3.4053 3.4149 3.6806 3.7148 3.7536 3.8596 6.4324 6.4979 8.1311 8.2467 8.3251 8.3622 8.5131 8.6493 8.7268 8.7490 9.3898 9.4284 k = 0.5000 0.3536 0.3368 ( 11408 PWs) bands (ev): -8.1436 -8.1429 -8.1108 -8.1066 -7.9592 -7.9548 -7.9462 -7.9446 -3.1861 -3.1735 -3.1660 -3.1597 -1.6770 -1.6612 -1.5361 -1.4930 -1.4886 -1.4684 -0.9263 -0.9064 0.2420 0.2563 0.2909 0.3109 0.4039 0.4360 0.4475 0.4877 0.5835 0.6202 0.8366 0.8644 0.9344 0.9618 1.2042 1.2407 1.2984 1.3916 1.4085 1.4599 1.6847 1.7317 1.7692 1.8054 2.1590 2.2365 2.3729 2.4566 2.4931 2.6285 2.7157 2.8243 3.0487 3.1301 3.3200 3.3622 3.3913 3.4122 3.6737 3.7107 3.7426 3.8514 6.4430 6.5083 8.1224 8.2473 8.3187 8.3530 8.4547 8.5847 8.6586 8.6772 9.2849 9.3253 k = 0.5000 0.3536 0.3127 ( 11412 PWs) bands (ev): -8.1488 -8.1481 -8.1158 -8.1118 -7.9535 -7.9491 -7.9418 -7.9401 -3.1856 -3.1736 -3.1667 -3.1606 -1.6773 -1.6609 -1.5377 -1.4956 -1.4904 -1.4707 -0.9334 -0.9124 0.2463 0.2608 0.2908 0.3118 0.4098 0.4403 0.4511 0.4910 0.5885 0.6206 0.8332 0.8599 0.9275 0.9519 1.2271 1.2554 1.3085 1.3979 1.4106 1.4639 1.7054 1.7457 1.7894 1.8267 2.1570 2.2447 2.3604 2.4573 2.4847 2.6204 2.7160 2.8280 3.0428 3.1168 3.3102 3.3566 3.3776 3.4107 3.6668 3.7046 3.7345 3.8437 6.4506 6.5150 8.1110 8.2434 8.3100 8.3423 8.4017 8.5243 8.5948 8.6098 9.1815 9.2230 k = 0.5000 0.3536 0.2886 ( 11398 PWs) bands (ev): -8.1539 -8.1532 -8.1205 -8.1167 -7.9479 -7.9437 -7.9375 -7.9358 -3.1850 -3.1738 -3.1673 -3.1614 -1.6775 -1.6605 -1.5392 -1.4981 -1.4923 -1.4731 -0.9406 -0.9190 0.2505 0.2647 0.2906 0.3118 0.4162 0.4449 0.4553 0.4947 0.5934 0.6213 0.8292 0.8549 0.9198 0.9417 1.2489 1.2694 1.3185 1.4033 1.4130 1.4669 1.7238 1.7586 1.8063 1.8528 2.1539 2.2523 2.3442 2.4540 2.4802 2.6059 2.7261 2.8405 3.0397 3.1070 3.3001 3.3507 3.3658 3.4106 3.6598 3.6952 3.7305 3.8365 6.4554 6.5184 8.0973 8.2355 8.2992 8.3242 8.3597 8.4683 8.5354 8.5471 9.0811 9.1228 k = 0.5000 0.3536 0.2646 ( 11418 PWs) bands (ev): -8.1587 -8.1580 -8.1249 -8.1214 -7.9425 -7.9385 -7.9333 -7.9318 -3.1843 -3.1739 -3.1678 -3.1622 -1.6774 -1.6598 -1.5405 -1.5005 -1.4942 -1.4756 -0.9477 -0.9258 0.2545 0.2680 0.2905 0.3110 0.4228 0.4497 0.4599 0.4983 0.5982 0.6221 0.8250 0.8495 0.9111 0.9313 1.2694 1.2827 1.3280 1.4069 1.4167 1.4688 1.7396 1.7694 1.8229 1.8811 2.1504 2.2576 2.3282 2.4467 2.4758 2.5875 2.7444 2.8602 3.0390 3.1008 3.2899 3.3411 3.3593 3.4116 3.6525 3.6832 3.7300 3.8299 6.4576 6.5186 8.0818 8.2244 8.2797 8.2967 8.3370 8.4167 8.4806 8.4893 8.9853 9.0264 k = 0.5000 0.3536 0.2405 ( 11414 PWs) bands (ev): -8.1633 -8.1626 -8.1290 -8.1258 -7.9375 -7.9337 -7.9294 -7.9279 -3.1835 -3.1740 -3.1684 -3.1630 -1.6771 -1.6591 -1.5414 -1.5026 -1.4962 -1.4782 -0.9546 -0.9328 0.2583 0.2706 0.2907 0.3095 0.4296 0.4549 0.4648 0.5018 0.6026 0.6233 0.8206 0.8440 0.9016 0.9212 1.2884 1.2952 1.3371 1.4086 1.4217 1.4701 1.7532 1.7775 1.8412 1.9097 2.1470 2.2585 2.3161 2.4367 2.4696 2.5670 2.7690 2.8851 3.0402 3.0980 3.2796 3.3281 3.3580 3.4141 3.6448 3.6695 3.7318 3.8240 6.4577 6.5160 8.0648 8.2108 8.2416 8.2815 8.3215 8.3699 8.4305 8.4367 8.8954 8.9350 k = 0.5000 0.3536 0.2165 ( 11428 PWs) bands (ev): -8.1675 -8.1669 -8.1328 -8.1298 -7.9327 -7.9291 -7.9258 -7.9243 -3.1825 -3.1741 -3.1689 -3.1638 -1.6766 -1.6585 -1.5421 -1.5043 -1.4984 -1.4809 -0.9612 -0.9399 0.2618 0.2725 0.2909 0.3076 0.4365 0.4604 0.4696 0.5049 0.6066 0.6249 0.8162 0.8385 0.8914 0.9113 1.3050 1.3075 1.3457 1.4091 1.4272 1.4709 1.7649 1.7835 1.8609 1.9374 2.1442 2.2532 2.3105 2.4248 2.4617 2.5456 2.7975 2.9134 3.0428 3.0984 3.2691 3.3139 3.3597 3.4180 3.6364 3.6549 3.7351 3.8188 6.4560 6.5110 8.0469 8.1931 8.2040 8.2683 8.3051 8.3287 8.3853 8.3897 8.8125 8.8500 k = 0.5000 0.3536 0.1924 ( 11416 PWs) bands (ev): -8.1714 -8.1708 -8.1362 -8.1336 -7.9283 -7.9250 -7.9224 -7.9210 -3.1815 -3.1741 -3.1695 -3.1646 -1.6758 -1.6579 -1.5423 -1.5059 -1.5006 -1.4836 -0.9672 -0.9469 0.2651 0.2739 0.2914 0.3054 0.4435 0.4660 0.4744 0.5076 0.6102 0.6269 0.8119 0.8332 0.8809 0.9017 1.3170 1.3219 1.3538 1.4089 1.4328 1.4714 1.7748 1.7881 1.8814 1.9633 2.1420 2.2429 2.3107 2.4119 2.4529 2.5239 2.8281 2.9434 3.0464 3.1016 3.2586 3.2995 3.3639 3.4234 3.6272 3.6396 3.7395 3.8142 6.4531 6.5042 8.0287 8.1604 8.1824 8.2538 8.2816 8.2984 8.3456 8.3484 8.7379 8.7723 k = 0.5000 0.3536 0.1684 ( 11400 PWs) bands (ev): -8.1750 -8.1744 -8.1392 -8.1369 -7.9244 -7.9214 -7.9193 -7.9180 -3.1804 -3.1741 -3.1699 -3.1655 -1.6747 -1.6576 -1.5421 -1.5072 -1.5029 -1.4865 -0.9727 -0.9537 0.2680 0.2750 0.2920 0.3030 0.4504 0.4716 0.4789 0.5097 0.6133 0.6292 0.8077 0.8284 0.8705 0.8926 1.3270 1.3352 1.3614 1.4081 1.4379 1.4720 1.7830 1.7922 1.9020 1.9868 2.1406 2.2307 2.3138 2.3991 2.4435 2.5021 2.8592 2.9731 3.0509 3.1072 3.2480 3.2848 3.3706 3.4304 3.6165 3.6243 3.7447 3.8103 6.4495 6.4960 8.0107 8.1251 8.1656 8.2359 8.2531 8.2780 8.3122 8.3132 8.6721 8.7031 k = 0.5000 0.3536 0.1443 ( 11396 PWs) bands (ev): -8.1781 -8.1775 -8.1419 -8.1399 -7.9209 -7.9183 -7.9164 -7.9153 -3.1793 -3.1740 -3.1704 -3.1664 -1.6735 -1.6575 -1.5413 -1.5086 -1.5048 -1.4894 -0.9773 -0.9602 0.2705 0.2758 0.2927 0.3006 0.4571 0.4771 0.4830 0.5112 0.6163 0.6316 0.8039 0.8242 0.8607 0.8838 1.3362 1.3463 1.3686 1.4068 1.4425 1.4725 1.7893 1.7961 1.9223 2.0069 2.1401 2.2186 2.3178 2.3877 2.4337 2.4807 2.8894 3.0003 3.0572 3.1146 3.2372 3.2700 3.3800 3.4390 3.6028 3.6102 3.7505 3.8068 6.4456 6.4869 7.9940 8.0920 8.1495 8.2116 8.2316 8.2582 8.2843 8.2857 8.6160 8.6429 k = 0.5000 0.3536 0.1203 ( 11398 PWs) bands (ev): -8.1807 -8.1802 -8.1441 -8.1425 -7.9178 -7.9157 -7.9139 -7.9130 -3.1782 -3.1739 -3.1709 -3.1673 -1.6720 -1.6577 -1.5400 -1.5106 -1.5060 -1.4922 -0.9812 -0.9662 0.2724 0.2766 0.2932 0.2985 0.4635 0.4823 0.4864 0.5120 0.6192 0.6337 0.8004 0.8203 0.8521 0.8755 1.3445 1.3551 1.3751 1.4051 1.4467 1.4729 1.7941 1.8002 1.9420 2.0227 2.1408 2.2072 2.3220 2.3792 2.4236 2.4599 2.9179 3.0208 3.0680 3.1232 3.2265 3.2550 3.3919 3.4491 3.5861 3.5975 3.7567 3.8035 6.4419 6.4775 7.9793 8.0615 8.1347 8.1857 8.2148 8.2377 8.2619 8.2652 8.5697 8.5923 k = 0.5000 0.3536 0.0962 ( 11410 PWs) bands (ev): -8.1829 -8.1825 -8.1459 -8.1446 -7.9153 -7.9137 -7.9117 -7.9111 -3.1770 -3.1738 -3.1713 -3.1682 -1.6705 -1.6583 -1.5382 -1.5133 -1.5064 -1.4949 -0.9841 -0.9717 0.2738 0.2773 0.2935 0.2966 0.4694 0.4865 0.4897 0.5120 0.6221 0.6352 0.7977 0.8163 0.8454 0.8677 1.3519 1.3618 1.3806 1.4029 1.4507 1.4731 1.7979 1.8038 1.9608 2.0333 2.1429 2.1969 2.3263 2.3743 2.4129 2.4405 2.9439 3.0312 3.0859 3.1325 3.2156 3.2397 3.4063 3.4607 3.5680 3.5845 3.7629 3.8004 6.4390 6.4682 7.9675 8.0339 8.1221 8.1623 8.2004 8.2185 8.2449 8.2490 8.5331 8.5511 k = 0.5000 0.3536 0.0722 ( 11400 PWs) bands (ev): -8.1846 -8.1843 -8.1473 -8.1463 -7.9133 -7.9122 -7.9099 -7.9096 -3.1758 -3.1736 -3.1717 -3.1692 -1.6687 -1.6592 -1.5358 -1.5163 -1.5063 -1.4974 -0.9861 -0.9765 0.2748 0.2779 0.2937 0.2953 0.4748 0.4886 0.4936 0.5113 0.6251 0.6361 0.7961 0.8120 0.8414 0.8605 1.3585 1.3667 1.3849 1.4004 1.4548 1.4727 1.8012 1.8064 1.9785 2.0382 2.1465 2.1877 2.3311 2.3732 2.4014 2.4233 2.9670 3.0338 3.1076 3.1422 3.2048 3.2240 3.4228 3.4731 3.5496 3.5708 3.7691 3.7972 6.4371 6.4595 7.9593 8.0097 8.1125 8.1425 8.1890 8.2025 8.2320 8.2360 8.5060 8.5194 k = 0.5000 0.3536 0.0481 ( 11428 PWs) bands (ev): -8.1859 -8.1857 -8.1483 -8.1476 -7.9118 -7.9111 -7.9087 -7.9085 -3.1746 -3.1734 -3.1721 -3.1702 -1.6670 -1.6604 -1.5330 -1.5196 -1.5057 -1.4997 -0.9870 -0.9804 0.2757 0.2781 0.2937 0.2945 0.4794 0.4890 0.4978 0.5099 0.6281 0.6360 0.7957 0.8073 0.8401 0.8540 1.3640 1.3699 1.3880 1.3977 1.4589 1.4715 1.8040 1.8079 1.9949 2.0374 2.1516 2.1793 2.3376 2.3742 2.3894 2.4095 2.9869 3.0316 3.1296 3.1520 3.1941 3.2077 3.4409 3.4849 3.5322 3.5565 3.7750 3.7937 6.4367 6.4519 7.9555 7.9894 8.1067 8.1266 8.1812 8.1903 8.2230 8.2260 8.4878 8.4967 k = 0.5000 0.3536 0.0241 ( 11464 PWs) bands (ev): -8.1866 -8.1865 -8.1488 -8.1485 -7.9109 -7.9105 -7.9079 -7.9078 -3.1735 -3.1731 -3.1725 -3.1712 -1.6652 -1.6618 -1.5299 -1.5231 -1.5047 -1.5017 -0.9868 -0.9835 0.2764 0.2777 0.2937 0.2941 0.4833 0.4881 0.5016 0.5077 0.6308 0.6350 0.7967 0.8028 0.8412 0.8485 1.3682 1.3713 1.3903 1.3950 1.4628 1.4693 1.8062 1.8083 2.0096 2.0317 2.1576 2.1715 2.3464 2.3694 2.3850 2.3987 3.0033 3.0256 3.1502 3.1617 3.1836 3.1910 3.4598 3.4895 3.5223 3.5421 3.7804 3.7898 6.4379 6.4456 7.9564 7.9735 8.1050 8.1150 8.1774 8.1820 8.2178 8.2195 8.4780 8.4824 k = 0.5000 0.3536-0.0000 ( 11464 PWs) bands (ev): -8.1868 -8.1868 -8.1489 -8.1489 -7.9105 -7.9105 -7.9076 -7.9076 -3.1729 -3.1729 -3.1723 -3.1723 -1.6634 -1.6634 -1.5265 -1.5265 -1.5034 -1.5034 -0.9857 -0.9857 0.2772 0.2772 0.2938 0.2938 0.4862 0.4862 0.5050 0.5050 0.6332 0.6332 0.7991 0.7991 0.8441 0.8441 1.3707 1.3707 1.3925 1.3925 1.4664 1.4664 1.8077 1.8077 2.0221 2.0221 2.1643 2.1643 2.3575 2.3575 2.3904 2.3904 3.0162 3.0162 3.1663 3.1663 3.1775 3.1775 3.4779 3.4779 3.5288 3.5288 3.7854 3.7854 6.4409 6.4409 7.9624 7.9624 8.1078 8.1078 8.1777 8.1777 8.2166 8.2166 8.4763 8.4763 k = 0.0000 0.0000 0.8660 ( 11476 PWs) bands (ev): -8.0819 -8.0819 -8.0278 -8.0278 -8.0181 -8.0181 -8.0158 -8.0158 -3.1713 -3.1713 -3.1496 -3.1496 -1.6363 -1.6363 -1.4950 -1.4950 -1.4353 -1.4353 -0.9099 -0.9099 0.1734 0.1734 0.2405 0.2405 0.3340 0.3340 0.4930 0.4930 0.6499 0.6499 0.7250 0.7250 0.8450 0.8450 1.0338 1.0338 1.1522 1.1522 1.3231 1.3231 1.3984 1.3984 1.6266 1.6266 2.0251 2.0251 2.5166 2.5166 2.6325 2.6325 3.2585 3.2585 3.4540 3.4540 3.5922 3.5922 3.7400 3.7400 3.8601 3.8601 3.9814 3.9814 5.9842 5.9842 7.7936 7.7936 8.0234 8.0234 9.7422 9.7422 9.8783 9.8783 10.1441 10.1441 k = 0.0192 0.0136 0.8660 ( 11432 PWs) bands (ev): -8.0820 -8.0818 -8.0279 -8.0277 -8.0181 -8.0180 -8.0158 -8.0158 -3.1713 -3.1713 -3.1497 -3.1495 -1.6365 -1.6361 -1.4951 -1.4950 -1.4357 -1.4350 -0.9103 -0.9093 0.1722 0.1748 0.2360 0.2453 0.3334 0.3346 0.4890 0.4969 0.6470 0.6513 0.7186 0.7335 0.8361 0.8544 1.0237 1.0432 1.1423 1.1627 1.3224 1.3246 1.3976 1.3991 1.6248 1.6272 2.0116 2.0302 2.5169 2.5240 2.6343 2.6398 3.2580 3.2585 3.4496 3.4547 3.5844 3.5997 3.7292 3.7500 3.8493 3.8691 3.9765 3.9836 5.9864 5.9867 7.7932 7.7969 8.0208 8.0211 9.7332 9.7517 9.8726 9.8791 10.1412 10.1479 k = 0.0385 0.0272 0.8660 ( 11420 PWs) bands (ev): -8.0821 -8.0817 -8.0280 -8.0276 -8.0180 -8.0180 -8.0158 -8.0158 -3.1713 -3.1713 -3.1497 -3.1494 -1.6366 -1.6360 -1.4950 -1.4948 -1.4363 -1.4349 -0.9104 -0.9083 0.1711 0.1762 0.2317 0.2503 0.3328 0.3351 0.4851 0.5007 0.6430 0.6506 0.7147 0.7431 0.8275 0.8641 1.0131 1.0514 1.1331 1.1734 1.3222 1.3266 1.3965 1.3997 1.6217 1.6263 1.9905 2.0268 2.5248 2.5380 2.6448 2.6558 3.2570 3.2577 3.4414 3.4514 3.5761 3.6067 3.7178 3.7587 3.8367 3.8760 3.9688 3.9830 5.9931 5.9936 7.7953 7.8028 8.0135 8.0141 9.7236 9.7623 9.8616 9.8760 10.1401 10.1526 k = 0.0577 0.0408 0.8660 ( 11422 PWs) bands (ev): -8.0821 -8.0815 -8.0281 -8.0275 -8.0180 -8.0180 -8.0159 -8.0158 -3.1714 -3.1713 -3.1498 -3.1493 -1.6368 -1.6359 -1.4949 -1.4946 -1.4370 -1.4349 -0.9103 -0.9072 0.1702 0.1776 0.2277 0.2555 0.3321 0.3355 0.4811 0.5042 0.6386 0.6475 0.7135 0.7533 0.8194 0.8740 1.0022 1.0576 1.1253 1.1842 1.3224 1.3291 1.3950 1.4002 1.6176 1.6240 1.9637 2.0160 2.5397 2.5576 2.6633 2.6795 3.2558 3.2558 3.4297 3.4442 3.5674 3.6133 3.7061 3.7658 3.8229 3.8813 3.9586 3.9798 6.0040 6.0047 7.7995 7.8110 8.0024 8.0030 9.7119 9.7739 9.8452 9.8706 10.1416 10.1583 k = 0.0769 0.0544 0.8660 ( 11422 PWs) bands (ev): -8.0822 -8.0814 -8.0282 -8.0275 -8.0180 -8.0179 -8.0159 -8.0158 -3.1714 -3.1713 -3.1499 -3.1493 -1.6370 -1.6358 -1.4948 -1.4944 -1.4378 -1.4350 -0.9099 -0.9058 0.1693 0.1791 0.2241 0.2608 0.3314 0.3357 0.4774 0.5074 0.6341 0.6427 0.7147 0.7636 0.8118 0.8840 0.9913 1.0606 1.1203 1.1951 1.3230 1.3319 1.3933 1.4008 1.6128 1.6205 1.9331 2.0000 2.5600 2.5819 2.6885 2.7095 3.2526 3.2542 3.4147 3.4332 3.5581 3.6192 3.6946 3.7703 3.8094 3.8851 3.9463 3.9746 6.0183 6.0194 7.8050 7.8207 7.9887 7.9888 9.6962 9.7846 9.8254 9.8652 10.1466 10.1657 k = 0.0962 0.0680 0.8660 ( 11418 PWs) bands (ev): -8.0823 -8.0813 -8.0284 -8.0274 -8.0180 -8.0178 -8.0160 -8.0159 -3.1714 -3.1713 -3.1500 -3.1492 -1.6372 -1.6358 -1.4946 -1.4941 -1.4387 -1.4353 -0.9093 -0.9044 0.1685 0.1806 0.2208 0.2661 0.3307 0.3358 0.4737 0.5100 0.6297 0.6371 0.7174 0.7736 0.8047 0.8942 0.9807 1.0594 1.1192 1.2061 1.3236 1.3348 1.3914 1.4018 1.6078 1.6161 1.9002 1.9807 2.5845 2.6101 2.7190 2.7439 3.2476 3.2522 3.3968 3.4185 3.5482 3.6243 3.6838 3.7694 3.7996 3.8877 3.9323 3.9677 6.0355 6.0368 7.8104 7.8306 7.9735 7.9742 9.6756 9.7818 9.8157 9.8618 10.1553 10.1753 k = 0.1154 0.0816 0.8660 ( 11412 PWs) bands (ev): -8.0823 -8.0812 -8.0285 -8.0274 -8.0179 -8.0178 -8.0161 -8.0159 -3.1713 -3.1713 -3.1500 -3.1491 -1.6374 -1.6357 -1.4944 -1.4938 -1.4396 -1.4356 -0.9086 -0.9028 0.1679 0.1820 0.2180 0.2714 0.3301 0.3357 0.4703 0.5122 0.6256 0.6315 0.7208 0.7832 0.7983 0.9043 0.9704 1.0540 1.1218 1.2173 1.3241 1.3376 1.3894 1.4033 1.6029 1.6110 1.8667 1.9601 2.6115 2.6417 2.7532 2.7806 3.2408 3.2493 3.3767 3.4005 3.5378 3.6281 3.6740 3.7606 3.7968 3.8896 3.9175 3.9596 6.0545 6.0560 7.8139 7.8385 7.9596 7.9612 9.6501 9.7565 9.8261 9.8614 10.1676 10.1873 k = 0.1346 0.0952 0.8660 ( 11408 PWs) bands (ev): -8.0824 -8.0811 -8.0286 -8.0273 -8.0179 -8.0177 -8.0162 -8.0160 -3.1713 -3.1713 -3.1501 -3.1491 -1.6376 -1.6357 -1.4941 -1.4934 -1.4404 -1.4360 -0.9079 -0.9013 0.1673 0.1833 0.2155 0.2766 0.3295 0.3354 0.4673 0.5138 0.6219 0.6264 0.7244 0.7921 0.7926 0.9145 0.9609 1.0457 1.1268 1.2285 1.3240 1.3399 1.3874 1.4056 1.5985 1.6055 1.8336 1.9397 2.6399 2.6759 2.7897 2.8179 3.2321 3.2445 3.3559 3.3798 3.5273 3.6302 3.6654 3.7481 3.7979 3.8911 3.9025 3.9509 6.0742 6.0759 7.8136 7.8415 7.9505 7.9521 9.6216 9.7256 9.8413 9.8639 10.1830 10.2011 k = 0.1538 0.1088 0.8660 ( 11400 PWs) bands (ev): -8.0824 -8.0810 -8.0286 -8.0273 -8.0178 -8.0176 -8.0163 -8.0160 -3.1713 -3.1713 -3.1501 -3.1490 -1.6378 -1.6357 -1.4939 -1.4931 -1.4413 -1.4363 -0.9071 -0.8999 0.1667 0.1845 0.2135 0.2816 0.3291 0.3348 0.4646 0.5147 0.6186 0.6221 0.7278 0.7878 0.8001 0.9247 0.9524 1.0359 1.1328 1.2397 1.3229 1.3416 1.3859 1.4086 1.5951 1.5999 1.8021 1.9207 2.6680 2.7120 2.8272 2.8533 3.2221 3.2360 3.3367 3.3569 3.5172 3.6300 3.6582 3.7364 3.7997 3.8881 3.8925 3.9421 6.0936 6.0954 7.8086 7.8376 7.9484 7.9486 9.5924 9.6945 9.8570 9.8685 10.2009 10.2157 k = 0.1731 0.1224 0.8660 ( 11412 PWs) bands (ev): -8.0824 -8.0810 -8.0287 -8.0272 -8.0177 -8.0175 -8.0164 -8.0161 -3.1713 -3.1713 -3.1502 -3.1490 -1.6379 -1.6357 -1.4937 -1.4928 -1.4421 -1.4367 -0.9063 -0.8986 0.1662 0.1855 0.2119 0.2862 0.3286 0.3342 0.4623 0.5151 0.6158 0.6188 0.7307 0.7837 0.8068 0.9348 0.9451 1.0253 1.1388 1.2508 1.3205 1.3427 1.3847 1.4121 1.5928 1.5945 1.7733 1.9041 2.6944 2.7490 2.8642 2.8842 3.2124 3.2219 3.3219 3.3324 3.5079 3.6273 3.6522 3.7273 3.8010 3.8753 3.8940 3.9335 6.1114 6.1134 7.7998 7.8282 7.9494 7.9528 9.5648 9.6658 9.8721 9.8741 10.2203 10.2289 k = 0.1923 0.1360 0.8660 ( 11408 PWs) bands (ev): -8.0825 -8.0809 -8.0288 -8.0272 -8.0177 -8.0173 -8.0165 -8.0161 -3.1713 -3.1713 -3.1502 -3.1489 -1.6381 -1.6357 -1.4935 -1.4926 -1.4427 -1.4371 -0.9057 -0.8975 0.1658 0.1862 0.2107 0.2901 0.3283 0.3334 0.4604 0.5151 0.6136 0.6165 0.7330 0.7806 0.8123 0.9391 0.9449 1.0144 1.1442 1.2616 1.3167 1.3432 1.3841 1.4158 1.5899 1.5919 1.7484 1.8906 2.7174 2.7854 2.8994 2.9073 3.2021 3.2059 3.3068 3.3130 3.5001 3.6225 3.6477 3.7215 3.8016 3.8648 3.8959 3.9255 6.1267 6.1288 7.7896 7.8171 7.9532 7.9598 9.5409 9.6415 9.8797 9.8854 10.2381 10.2399 k = 0.2115 0.1496 0.8660 ( 11400 PWs) bands (ev): -8.0825 -8.0809 -8.0288 -8.0272 -8.0177 -8.0172 -8.0166 -8.0162 -3.1713 -3.1713 -3.1502 -3.1489 -1.6382 -1.6357 -1.4933 -1.4924 -1.4432 -1.4373 -0.9052 -0.8967 0.1655 0.1868 0.2098 0.2932 0.3280 0.3327 0.4591 0.5150 0.6121 0.6150 0.7345 0.7785 0.8164 0.9347 0.9548 1.0038 1.1485 1.2717 1.3117 1.3433 1.3839 1.4191 1.5862 1.5920 1.7287 1.8806 2.7354 2.8191 2.9195 2.9305 3.1799 3.2061 3.2808 3.3088 3.4942 3.6171 3.6444 3.7185 3.8016 3.8572 3.8983 3.9185 6.1383 6.1405 7.7806 7.8072 7.9574 7.9666 9.5226 9.6229 9.8843 9.8959 10.2423 10.2576 k = 0.2308 0.1632 0.8660 ( 11396 PWs) bands (ev): -8.0825 -8.0808 -8.0288 -8.0272 -8.0176 -8.0171 -8.0168 -8.0162 -3.1713 -3.1713 -3.1503 -3.1489 -1.6382 -1.6357 -1.4932 -1.4923 -1.4435 -1.4375 -0.9049 -0.8962 0.1653 0.1872 0.2094 0.2953 0.3279 0.3321 0.4583 0.5148 0.6111 0.6142 0.7355 0.7772 0.8189 0.9321 0.9637 0.9944 1.1513 1.2803 1.3061 1.3433 1.3838 1.4214 1.5838 1.5927 1.7159 1.8745 2.7468 2.8462 2.9211 2.9535 3.1613 3.2150 3.2557 3.3073 3.4905 3.6129 3.6425 3.7172 3.8012 3.8526 3.9013 3.9127 6.1457 6.1479 7.7745 7.8005 7.9606 7.9713 9.5110 9.6114 9.8874 9.9027 10.2432 10.2705 k = 0.2500 0.1768 0.8660 ( 11392 PWs) bands (ev): -8.0825 -8.0808 -8.0289 -8.0272 -8.0176 -8.0170 -8.0169 -8.0162 -3.1713 -3.1713 -3.1503 -3.1489 -1.6382 -1.6357 -1.4932 -1.4922 -1.4436 -1.4375 -0.9048 -0.8960 0.1652 0.1873 0.2092 0.2960 0.3278 0.3319 0.4580 0.5147 0.6108 0.6140 0.7358 0.7768 0.8197 0.9312 0.9683 0.9895 1.1522 1.2845 1.3029 1.3433 1.3839 1.4222 1.5830 1.5930 1.7114 1.8725 2.7507 2.8578 2.9190 2.9624 3.1537 3.2287 3.2365 3.3069 3.4893 3.6113 3.6418 3.7169 3.8011 3.8511 3.9033 3.9097 6.1482 6.1504 7.7724 7.7982 7.9618 7.9730 9.5071 9.6074 9.8885 9.9050 10.2431 10.2754 Writing output data file Ag2HgI4.save init_run : 3.63s CPU 10.73s WALL ( 1 calls) electrons : 2112.20s CPU 2129.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.74s CPU 1.98s WALL ( 1 calls) Called by electrons: c_bands : 2112.16s CPU 2129.61s WALL ( 1 calls) v_of_rho : 0.33s CPU 0.99s WALL ( 1 calls) v_h : 0.12s CPU 0.13s WALL ( 1 calls) v_xc : 0.19s CPU 0.66s WALL ( 1 calls) newd : 0.86s CPU 0.90s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.30s WALL ( 246 calls) cegterg : 2030.37s CPU 2044.46s WALL ( 694 calls) Called by sum_band: Called by *egterg: h_psi : 1073.98s CPU 1084.77s WALL ( 12302 calls) s_psi : 66.17s CPU 66.41s WALL ( 12302 calls) g_psi : 2.67s CPU 2.76s WALL ( 11362 calls) cdiaghg : 569.20s CPU 566.94s WALL ( 11608 calls) cegterg:over : 181.90s CPU 179.43s WALL ( 11362 calls) cegterg:upda : 72.71s CPU 75.67s WALL ( 11362 calls) cegterg:last : 57.33s CPU 58.07s WALL ( 2068 calls) Called by h_psi: h_psi:vloc : 917.43s CPU 925.18s WALL ( 12302 calls) h_psi:vnl : 154.78s CPU 156.79s WALL ( 12302 calls) add_vuspsi : 60.12s CPU 64.38s WALL ( 12302 calls) General routines calbec : 94.58s CPU 92.27s WALL ( 12302 calls) fft : 0.42s CPU 1.48s WALL ( 19 calls) ffts : 0.02s CPU 0.31s WALL ( 4 calls) fftw : 836.11s CPU 837.90s WALL ( 1820200 calls) interpolate : 0.15s CPU 0.44s WALL ( 4 calls) davcio : 0.04s CPU 2.98s WALL ( 492 calls) Parallel routines fft_scatter : 398.59s CPU 397.78s WALL ( 1820223 calls) PWSCF : 36m46.05s CPU 39m33.19s WALL This run was terminated on: 21:47: 7 23Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=