Program PWSCF v.5.1.1 starts on 12Oct2015 at 7:34:54 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: ./Cu2GeTe3.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 64 50 14 1368 926 143 Max 65 51 15 1370 942 146 Sum 3095 2403 685 65707 44907 6903 bravais-lattice index = 14 lattice parameter (alat) = 13.7785 a.u. unit-cell volume = 1064.5198 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.778496 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.833184 celldm(5)= -0.669705 celldm(6)= 0.502889 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.502889 0.864351 0.000000 ) a(3) = ( -0.669705 -0.574300 0.470824 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.581811 0.712732 ) b(2) = ( 0.000000 1.156937 1.411206 ) b(3) = ( 0.000000 0.000000 2.123938 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /home/autes/Pseudo/Te_MT_PBE.UPF MD5 check sum: 58ccb0a2ae5f507b1c31ab9daa3b9941 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1245 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad 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 1199 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 Ge 4.00 72.64000 Ge( 1.00) Te 6.00 127.60000 Te( 1.00) Cu 11.00 63.54600 Cu( 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= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( -0.0066131 0.0114985 0.0186648), wk = 0.0029674 k( 3) = ( -0.0132262 0.0229969 0.0373297), wk = 0.0029674 k( 4) = ( -0.0198392 0.0344954 0.0559945), wk = 0.0029674 k( 5) = ( -0.0264523 0.0459939 0.0746593), wk = 0.0029674 k( 6) = ( -0.0330654 0.0574924 0.0933241), wk = 0.0029674 k( 7) = ( -0.0396785 0.0689909 0.1119890), wk = 0.0029674 k( 8) = ( -0.0462915 0.0804893 0.1306538), wk = 0.0029674 k( 9) = ( -0.0529046 0.0919878 0.1493186), wk = 0.0029674 k( 10) = ( -0.0595177 0.1034863 0.1679835), wk = 0.0029674 k( 11) = ( -0.0661308 0.1149848 0.1866483), wk = 0.0029674 k( 12) = ( -0.0727438 0.1264832 0.2053131), wk = 0.0029674 k( 13) = ( -0.0793569 0.1379817 0.2239780), wk = 0.0029674 k( 14) = ( -0.0859700 0.1494802 0.2426428), wk = 0.0029674 k( 15) = ( -0.0925831 0.1609787 0.2613076), wk = 0.0029674 k( 16) = ( -0.0991961 0.1724772 0.2799725), wk = 0.0029674 k( 17) = ( -0.1058092 0.1839756 0.2986373), wk = 0.0029674 k( 18) = ( -0.1124223 0.1954741 0.3173021), wk = 0.0029674 k( 19) = ( -0.1190354 0.2069726 0.3359669), wk = 0.0029674 k( 20) = ( -0.1256485 0.2184711 0.3546318), wk = 0.0029674 k( 21) = ( -0.1322615 0.2299695 0.3732966), wk = 0.0029674 k( 22) = ( -0.1388746 0.2414680 0.3919614), wk = 0.0029674 k( 23) = ( -0.1454877 0.2529665 0.4106263), wk = 0.0029674 k( 24) = ( -0.1521008 0.2644650 0.4292911), wk = 0.0029674 k( 25) = ( -0.1587138 0.2759635 0.4479559), wk = 0.0029674 k( 26) = ( -0.1653269 0.2874619 0.4666208), wk = 0.0029674 k( 27) = ( -0.1719400 0.2989604 0.4852856), wk = 0.0029674 k( 28) = ( -0.1785531 0.3104589 0.5039504), wk = 0.0029674 k( 29) = ( -0.1851662 0.3219574 0.5226153), wk = 0.0029674 k( 30) = ( -0.1917792 0.3334558 0.5412801), wk = 0.0029674 k( 31) = ( -0.1983923 0.3449543 0.5599449), wk = 0.0029674 k( 32) = ( -0.2050054 0.3564528 0.5786098), wk = 0.0029674 k( 33) = ( -0.2116185 0.3679513 0.5972746), wk = 0.0029674 k( 34) = ( -0.2182315 0.3794498 0.6159394), wk = 0.0029674 k( 35) = ( -0.2248446 0.3909482 0.6346042), wk = 0.0029674 k( 36) = ( -0.2314577 0.4024467 0.6532691), wk = 0.0029674 k( 37) = ( -0.2380708 0.4139452 0.6719339), wk = 0.0029674 k( 38) = ( -0.2446838 0.4254437 0.6905987), wk = 0.0029674 k( 39) = ( -0.2512969 0.4369421 0.7092635), wk = 0.0029674 k( 40) = ( -0.2579100 0.4484406 0.7279284), wk = 0.0029674 k( 41) = ( -0.2645231 0.4599391 0.7465932), wk = 0.0029674 k( 42) = ( -0.2711361 0.4714376 0.7652580), wk = 0.0029674 k( 43) = ( -0.2777492 0.4829360 0.7839229), wk = 0.0029674 k( 44) = ( -0.2777492 0.4829360 0.7839229), wk = 0.0029674 k( 45) = ( -0.2684608 0.4667858 0.7971632), wk = 0.0029674 k( 46) = ( -0.2591724 0.4506356 0.8104034), wk = 0.0029674 k( 47) = ( -0.2498840 0.4344854 0.8236437), wk = 0.0029674 k( 48) = ( -0.2405956 0.4183352 0.8368841), wk = 0.0029674 k( 49) = ( -0.2313072 0.4021850 0.8501243), wk = 0.0029674 k( 50) = ( -0.2220187 0.3860348 0.8633646), wk = 0.0029674 k( 51) = ( -0.2127303 0.3698845 0.8766049), wk = 0.0029674 k( 52) = ( -0.2034419 0.3537343 0.8898452), wk = 0.0029674 k( 53) = ( -0.1941535 0.3375841 0.9030855), wk = 0.0029674 k( 54) = ( -0.1848651 0.3214339 0.9163258), wk = 0.0029674 k( 55) = ( -0.1755767 0.3052837 0.9295661), wk = 0.0029674 k( 56) = ( -0.1662883 0.2891335 0.9428064), wk = 0.0029674 k( 57) = ( -0.1569999 0.2729833 0.9560467), wk = 0.0029674 k( 58) = ( -0.1477114 0.2568331 0.9692870), wk = 0.0029674 k( 59) = ( -0.1384230 0.2406829 0.9825273), wk = 0.0029674 k( 60) = ( -0.1291346 0.2245326 0.9957676), wk = 0.0029674 k( 61) = ( -0.1198462 0.2083824 1.0090079), wk = 0.0029674 k( 62) = ( -0.1105578 0.1922322 1.0222482), wk = 0.0029674 k( 63) = ( -0.1012694 0.1760820 1.0354885), wk = 0.0029674 k( 64) = ( -0.0919810 0.1599318 1.0487287), wk = 0.0029674 k( 65) = ( -0.0826926 0.1437816 1.0619690), wk = 0.0029674 k( 66) = ( -0.0826926 0.1437816 1.0619690), wk = 0.0029674 k( 67) = ( -0.0723560 0.1258089 1.0619690), wk = 0.0029674 k( 68) = ( -0.0620194 0.1078362 1.0619690), wk = 0.0029674 k( 69) = ( -0.0516829 0.0898635 1.0619690), wk = 0.0029674 k( 70) = ( -0.0413463 0.0718908 1.0619690), wk = 0.0029674 k( 71) = ( -0.0310097 0.0539181 1.0619690), wk = 0.0029674 k( 72) = ( -0.0206731 0.0359454 1.0619690), wk = 0.0029674 k( 73) = ( -0.0103366 0.0179727 1.0619690), wk = 0.0029674 k( 74) = ( 0.0000000 0.0000000 1.0619690), wk = 0.0029674 k( 75) = ( 0.0000000 0.0000000 1.0619690), wk = 0.0029674 k( 76) = ( 0.0192308 0.0110601 1.0619690), wk = 0.0029674 k( 77) = ( 0.0384615 0.0221202 1.0619690), wk = 0.0029674 k( 78) = ( 0.0576923 0.0331804 1.0619690), wk = 0.0029674 k( 79) = ( 0.0769231 0.0442405 1.0619690), wk = 0.0029674 k( 80) = ( 0.0961538 0.0553006 1.0619690), wk = 0.0029674 k( 81) = ( 0.1153846 0.0663607 1.0619690), wk = 0.0029674 k( 82) = ( 0.1346154 0.0774208 1.0619690), wk = 0.0029674 k( 83) = ( 0.1538461 0.0884810 1.0619690), wk = 0.0029674 k( 84) = ( 0.1730769 0.0995411 1.0619690), wk = 0.0029674 k( 85) = ( 0.1923077 0.1106012 1.0619690), wk = 0.0029674 k( 86) = ( 0.2115385 0.1216613 1.0619690), wk = 0.0029674 k( 87) = ( 0.2307692 0.1327215 1.0619690), wk = 0.0029674 k( 88) = ( 0.2500000 0.1437816 1.0619690), wk = 0.0029674 k( 89) = ( 0.2500000 0.1437816 1.0619690), wk = 0.0029674 k( 90) = ( 0.2407407 0.1598811 1.0487703), wk = 0.0029674 k( 91) = ( 0.2314815 0.1759806 1.0355716), wk = 0.0029674 k( 92) = ( 0.2222222 0.1920801 1.0223728), wk = 0.0029674 k( 93) = ( 0.2129630 0.2081797 1.0091741), wk = 0.0029674 k( 94) = ( 0.2037037 0.2242792 0.9959753), wk = 0.0029674 k( 95) = ( 0.1944444 0.2403787 0.9827766), wk = 0.0029674 k( 96) = ( 0.1851852 0.2564782 0.9695779), wk = 0.0029674 k( 97) = ( 0.1759259 0.2725778 0.9563791), wk = 0.0029674 k( 98) = ( 0.1666667 0.2886773 0.9431804), wk = 0.0029674 k( 99) = ( 0.1574074 0.3047768 0.9299817), wk = 0.0029674 k( 100) = ( 0.1481482 0.3208763 0.9167829), wk = 0.0029674 k( 101) = ( 0.1388889 0.3369759 0.9035842), wk = 0.0029674 k( 102) = ( 0.1296296 0.3530754 0.8903855), wk = 0.0029674 k( 103) = ( 0.1203704 0.3691749 0.8771867), wk = 0.0029674 k( 104) = ( 0.1111111 0.3852744 0.8639880), wk = 0.0029674 k( 105) = ( 0.1018518 0.4013740 0.8507892), wk = 0.0029674 k( 106) = ( 0.0925926 0.4174735 0.8375905), wk = 0.0029674 k( 107) = ( 0.0833333 0.4335730 0.8243918), wk = 0.0029674 k( 108) = ( 0.0740741 0.4496725 0.8111930), wk = 0.0029674 k( 109) = ( 0.0648148 0.4657721 0.7979943), wk = 0.0029674 k( 110) = ( 0.0555556 0.4818716 0.7847956), wk = 0.0029674 k( 111) = ( 0.0462963 0.4979711 0.7715968), wk = 0.0029674 k( 112) = ( 0.0370370 0.5140706 0.7583981), wk = 0.0029674 k( 113) = ( 0.0277778 0.5301701 0.7451993), wk = 0.0029674 k( 114) = ( 0.0185185 0.5462697 0.7320006), wk = 0.0029674 k( 115) = ( 0.0092593 0.5623692 0.7188019), wk = 0.0029674 k( 116) = ( 0.0000000 0.5784687 0.7056031), wk = 0.0029674 k( 117) = ( 0.0000000 0.5784687 0.7056031), wk = 0.0029674 k( 118) = ( 0.0198392 0.5852925 0.7000089), wk = 0.0029674 k( 119) = ( 0.0396785 0.5921162 0.6944146), wk = 0.0029674 k( 120) = ( 0.0595177 0.5989400 0.6888203), wk = 0.0029674 k( 121) = ( 0.0793569 0.6057637 0.6832261), wk = 0.0029674 k( 122) = ( 0.0991961 0.6125875 0.6776318), wk = 0.0029674 k( 123) = ( 0.1190354 0.6194113 0.6720375), wk = 0.0029674 k( 124) = ( 0.1388746 0.6262350 0.6664433), wk = 0.0029674 k( 125) = ( 0.1587138 0.6330588 0.6608490), wk = 0.0029674 k( 126) = ( 0.1785531 0.6398826 0.6552547), wk = 0.0029674 k( 127) = ( 0.1983923 0.6467063 0.6496605), wk = 0.0029674 k( 128) = ( 0.2182315 0.6535301 0.6440662), wk = 0.0029674 k( 129) = ( 0.2380708 0.6603538 0.6384719), wk = 0.0029674 k( 130) = ( 0.2579100 0.6671776 0.6328777), wk = 0.0029674 k( 131) = ( 0.2777492 0.6740014 0.6272834), wk = 0.0029674 k( 132) = ( 0.2777492 0.6740014 0.6272834), wk = 0.0029674 k( 133) = ( 0.2842860 0.6626355 0.6088339), wk = 0.0029674 k( 134) = ( 0.2908228 0.6512697 0.5903844), wk = 0.0029674 k( 135) = ( 0.2973596 0.6399039 0.5719349), wk = 0.0029674 k( 136) = ( 0.3038964 0.6285380 0.5534853), wk = 0.0029674 k( 137) = ( 0.3104332 0.6171722 0.5350358), wk = 0.0029674 k( 138) = ( 0.3169699 0.6058064 0.5165863), wk = 0.0029674 k( 139) = ( 0.3235067 0.5944406 0.4981368), wk = 0.0029674 k( 140) = ( 0.3300435 0.5830747 0.4796873), wk = 0.0029674 k( 141) = ( 0.3365803 0.5717089 0.4612378), wk = 0.0029674 k( 142) = ( 0.3431171 0.5603431 0.4427883), wk = 0.0029674 k( 143) = ( 0.3496539 0.5489772 0.4243388), wk = 0.0029674 k( 144) = ( 0.3561907 0.5376114 0.4058893), wk = 0.0029674 k( 145) = ( 0.3627275 0.5262456 0.3874397), wk = 0.0029674 k( 146) = ( 0.3692643 0.5148797 0.3689902), wk = 0.0029674 k( 147) = ( 0.3758010 0.5035139 0.3505407), wk = 0.0029674 k( 148) = ( 0.3823378 0.4921481 0.3320912), wk = 0.0029674 k( 149) = ( 0.3888746 0.4807823 0.3136417), wk = 0.0029674 k( 150) = ( 0.3954114 0.4694164 0.2951922), wk = 0.0029674 k( 151) = ( 0.4019482 0.4580506 0.2767427), wk = 0.0029674 k( 152) = ( 0.4084850 0.4466848 0.2582932), wk = 0.0029674 k( 153) = ( 0.4150218 0.4353189 0.2398436), wk = 0.0029674 k( 154) = ( 0.4215585 0.4239531 0.2213941), wk = 0.0029674 k( 155) = ( 0.4280953 0.4125873 0.2029446), wk = 0.0029674 k( 156) = ( 0.4346321 0.4012215 0.1844951), wk = 0.0029674 k( 157) = ( 0.4411689 0.3898556 0.1660456), wk = 0.0029674 k( 158) = ( 0.4477057 0.3784898 0.1475961), wk = 0.0029674 k( 159) = ( 0.4542425 0.3671240 0.1291466), wk = 0.0029674 k( 160) = ( 0.4607793 0.3557581 0.1106971), wk = 0.0029674 k( 161) = ( 0.4673161 0.3443923 0.0922476), wk = 0.0029674 k( 162) = ( 0.4738528 0.3330265 0.0737980), wk = 0.0029674 k( 163) = ( 0.4803896 0.3216606 0.0553485), wk = 0.0029674 k( 164) = ( 0.4869264 0.3102948 0.0368990), wk = 0.0029674 k( 165) = ( 0.4934632 0.2989290 0.0184495), wk = 0.0029674 k( 166) = ( 0.5000000 0.2875631 -0.0000000), wk = 0.0029674 k( 167) = ( 0.5000000 0.2875631 -0.0000000), wk = 0.0029674 k( 168) = ( 0.4800000 0.2760606 -0.0000000), wk = 0.0029674 k( 169) = ( 0.4600000 0.2645581 -0.0000000), wk = 0.0029674 k( 170) = ( 0.4400000 0.2530556 -0.0000000), wk = 0.0029674 k( 171) = ( 0.4200000 0.2415530 -0.0000000), wk = 0.0029674 k( 172) = ( 0.4000000 0.2300505 -0.0000000), wk = 0.0029674 k( 173) = ( 0.3800000 0.2185480 -0.0000000), wk = 0.0029674 k( 174) = ( 0.3600000 0.2070455 -0.0000000), wk = 0.0029674 k( 175) = ( 0.3400000 0.1955429 -0.0000000), wk = 0.0029674 k( 176) = ( 0.3200000 0.1840404 -0.0000000), wk = 0.0029674 k( 177) = ( 0.3000000 0.1725379 -0.0000000), wk = 0.0029674 k( 178) = ( 0.2800000 0.1610354 -0.0000000), wk = 0.0029674 k( 179) = ( 0.2600000 0.1495328 -0.0000000), wk = 0.0029674 k( 180) = ( 0.2400000 0.1380303 -0.0000000), wk = 0.0029674 k( 181) = ( 0.2200000 0.1265278 -0.0000000), wk = 0.0029674 k( 182) = ( 0.2000000 0.1150253 -0.0000000), wk = 0.0029674 k( 183) = ( 0.1800000 0.1035227 -0.0000000), wk = 0.0029674 k( 184) = ( 0.1600000 0.0920202 -0.0000000), wk = 0.0029674 k( 185) = ( 0.1400000 0.0805177 -0.0000000), wk = 0.0029674 k( 186) = ( 0.1200000 0.0690152 -0.0000000), wk = 0.0029674 k( 187) = ( 0.1000000 0.0575126 -0.0000000), wk = 0.0029674 k( 188) = ( 0.0800000 0.0460101 -0.0000000), wk = 0.0029674 k( 189) = ( 0.0600000 0.0345076 -0.0000000), wk = 0.0029674 k( 190) = ( 0.0400000 0.0230051 -0.0000000), wk = 0.0029674 k( 191) = ( 0.0200000 0.0115025 -0.0000000), wk = 0.0029674 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 194) = ( 0.0092407 -0.0160673 0.0131723), wk = 0.0029674 k( 195) = ( 0.0184814 -0.0321345 0.0263446), wk = 0.0029674 k( 196) = ( 0.0277221 -0.0482018 0.0395169), wk = 0.0029674 k( 197) = ( 0.0369628 -0.0642691 0.0526892), wk = 0.0029674 k( 198) = ( 0.0462035 -0.0803363 0.0658615), wk = 0.0029674 k( 199) = ( 0.0554442 -0.0964036 0.0790337), wk = 0.0029674 k( 200) = ( 0.0646850 -0.1124709 0.0922060), wk = 0.0029674 k( 201) = ( 0.0739257 -0.1285381 0.1053783), wk = 0.0029674 k( 202) = ( 0.0831664 -0.1446054 0.1185506), wk = 0.0029674 k( 203) = ( 0.0924071 -0.1606727 0.1317229), wk = 0.0029674 k( 204) = ( 0.1016478 -0.1767399 0.1448952), wk = 0.0029674 k( 205) = ( 0.1108885 -0.1928072 0.1580675), wk = 0.0029674 k( 206) = ( 0.1201292 -0.2088745 0.1712398), wk = 0.0029674 k( 207) = ( 0.1293699 -0.2249417 0.1844121), wk = 0.0029674 k( 208) = ( 0.1386106 -0.2410090 0.1975844), wk = 0.0029674 k( 209) = ( 0.1478513 -0.2570763 0.2107567), wk = 0.0029674 k( 210) = ( 0.1570920 -0.2731435 0.2239290), wk = 0.0029674 k( 211) = ( 0.1663327 -0.2892108 0.2371013), wk = 0.0029674 k( 212) = ( 0.1755734 -0.3052781 0.2502736), wk = 0.0029674 k( 213) = ( 0.1848142 -0.3213453 0.2634459), wk = 0.0029674 k( 214) = ( 0.1940549 -0.3374126 0.2766181), wk = 0.0029674 k( 215) = ( 0.2032956 -0.3534799 0.2897904), wk = 0.0029674 k( 216) = ( 0.2125363 -0.3695471 0.3029627), wk = 0.0029674 k( 217) = ( 0.2217770 -0.3856144 0.3161350), wk = 0.0029674 k( 218) = ( 0.2310177 -0.4016817 0.3293073), wk = 0.0029674 k( 219) = ( 0.2402584 -0.4177489 0.3424796), wk = 0.0029674 k( 220) = ( 0.2494991 -0.4338162 0.3556519), wk = 0.0029674 k( 221) = ( 0.2587398 -0.4498835 0.3688242), wk = 0.0029674 k( 222) = ( 0.2679805 -0.4659507 0.3819965), wk = 0.0029674 k( 223) = ( 0.2772212 -0.4820180 0.3951688), wk = 0.0029674 k( 224) = ( 0.2864619 -0.4980853 0.4083411), wk = 0.0029674 k( 225) = ( 0.2957026 -0.5141525 0.4215134), wk = 0.0029674 k( 226) = ( 0.3049434 -0.5302198 0.4346857), wk = 0.0029674 k( 227) = ( 0.3049434 -0.5302198 0.4346857), wk = 0.0029674 k( 228) = ( 0.3188760 -0.5131259 0.4290914), wk = 0.0029674 k( 229) = ( 0.3328086 -0.4960320 0.4234971), wk = 0.0029674 k( 230) = ( 0.3467412 -0.4789382 0.4179029), wk = 0.0029674 k( 231) = ( 0.3606738 -0.4618443 0.4123086), wk = 0.0029674 k( 232) = ( 0.3746064 -0.4447504 0.4067143), wk = 0.0029674 k( 233) = ( 0.3885390 -0.4276565 0.4011200), wk = 0.0029674 k( 234) = ( 0.4024717 -0.4105627 0.3955258), wk = 0.0029674 k( 235) = ( 0.4164043 -0.3934688 0.3899315), wk = 0.0029674 k( 236) = ( 0.4303369 -0.3763749 0.3843373), wk = 0.0029674 k( 237) = ( 0.4442695 -0.3592811 0.3787430), wk = 0.0029674 k( 238) = ( 0.4582021 -0.3421872 0.3731487), wk = 0.0029674 k( 239) = ( 0.4721348 -0.3250933 0.3675544), wk = 0.0029674 k( 240) = ( 0.4860674 -0.3079994 0.3619602), wk = 0.0029674 k( 241) = ( 0.5000000 -0.2909056 0.3563659), wk = 0.0029674 k( 242) = ( 0.5000000 -0.2909056 0.3563659), wk = 0.0029674 k( 243) = ( 0.4934211 -0.2794664 0.3749344), wk = 0.0029674 k( 244) = ( 0.4868421 -0.2680273 0.3935029), wk = 0.0029674 k( 245) = ( 0.4802632 -0.2565882 0.4120714), wk = 0.0029674 k( 246) = ( 0.4736842 -0.2451490 0.4306399), wk = 0.0029674 k( 247) = ( 0.4671053 -0.2337099 0.4492084), wk = 0.0029674 k( 248) = ( 0.4605263 -0.2222708 0.4677769), wk = 0.0029674 k( 249) = ( 0.4539474 -0.2108316 0.4863454), wk = 0.0029674 k( 250) = ( 0.4473684 -0.1993925 0.5049139), wk = 0.0029674 k( 251) = ( 0.4407895 -0.1879533 0.5234825), wk = 0.0029674 k( 252) = ( 0.4342105 -0.1765142 0.5420509), wk = 0.0029674 k( 253) = ( 0.4276316 -0.1650751 0.5606194), wk = 0.0029674 k( 254) = ( 0.4210526 -0.1536359 0.5791880), wk = 0.0029674 k( 255) = ( 0.4144737 -0.1421968 0.5977565), wk = 0.0029674 k( 256) = ( 0.4078947 -0.1307577 0.6163250), wk = 0.0029674 k( 257) = ( 0.4013158 -0.1193185 0.6348935), wk = 0.0029674 k( 258) = ( 0.3947368 -0.1078794 0.6534620), wk = 0.0029674 k( 259) = ( 0.3881579 -0.0964403 0.6720305), wk = 0.0029674 k( 260) = ( 0.3815789 -0.0850011 0.6905990), wk = 0.0029674 k( 261) = ( 0.3750000 -0.0735620 0.7091675), wk = 0.0029674 k( 262) = ( 0.3684211 -0.0621229 0.7277360), wk = 0.0029674 k( 263) = ( 0.3618421 -0.0506837 0.7463045), wk = 0.0029674 k( 264) = ( 0.3552632 -0.0392446 0.7648730), wk = 0.0029674 k( 265) = ( 0.3486842 -0.0278055 0.7834415), wk = 0.0029674 k( 266) = ( 0.3421053 -0.0163663 0.8020100), wk = 0.0029674 k( 267) = ( 0.3355263 -0.0049272 0.8205785), wk = 0.0029674 k( 268) = ( 0.3289474 0.0065119 0.8391470), wk = 0.0029674 k( 269) = ( 0.3223684 0.0179511 0.8577155), wk = 0.0029674 k( 270) = ( 0.3157895 0.0293902 0.8762840), wk = 0.0029674 k( 271) = ( 0.3092105 0.0408294 0.8948525), wk = 0.0029674 k( 272) = ( 0.3026316 0.0522685 0.9134210), wk = 0.0029674 k( 273) = ( 0.2960526 0.0637076 0.9319895), wk = 0.0029674 k( 274) = ( 0.2894737 0.0751468 0.9505580), wk = 0.0029674 k( 275) = ( 0.2828947 0.0865859 0.9691265), wk = 0.0029674 k( 276) = ( 0.2763158 0.0980250 0.9876950), wk = 0.0029674 k( 277) = ( 0.2697368 0.1094642 1.0062635), wk = 0.0029674 k( 278) = ( 0.2631579 0.1209033 1.0248320), wk = 0.0029674 k( 279) = ( 0.2565789 0.1323424 1.0434005), wk = 0.0029674 k( 280) = ( 0.2500000 0.1437816 1.0619690), wk = 0.0029674 k( 281) = ( 0.0826926 -0.1437816 1.0619691), wk = 0.0029674 k( 282) = ( 0.0892293 -0.1551474 1.0435195), wk = 0.0029674 k( 283) = ( 0.0957661 -0.1665132 1.0250700), wk = 0.0029674 k( 284) = ( 0.1023029 -0.1778791 1.0066205), wk = 0.0029674 k( 285) = ( 0.1088397 -0.1892449 0.9881710), wk = 0.0029674 k( 286) = ( 0.1153765 -0.2006107 0.9697215), wk = 0.0029674 k( 287) = ( 0.1219133 -0.2119766 0.9512720), wk = 0.0029674 k( 288) = ( 0.1284501 -0.2233424 0.9328225), wk = 0.0029674 k( 289) = ( 0.1349869 -0.2347082 0.9143730), wk = 0.0029674 k( 290) = ( 0.1415237 -0.2460740 0.8959234), wk = 0.0029674 k( 291) = ( 0.1480604 -0.2574399 0.8774739), wk = 0.0029674 k( 292) = ( 0.1545972 -0.2688057 0.8590244), wk = 0.0029674 k( 293) = ( 0.1611340 -0.2801715 0.8405749), wk = 0.0029674 k( 294) = ( 0.1676708 -0.2915374 0.8221254), wk = 0.0029674 k( 295) = ( 0.1742076 -0.3029032 0.8036759), wk = 0.0029674 k( 296) = ( 0.1807444 -0.3142690 0.7852264), wk = 0.0029674 k( 297) = ( 0.1872812 -0.3256349 0.7667769), wk = 0.0029674 k( 298) = ( 0.1938179 -0.3370007 0.7483274), wk = 0.0029674 k( 299) = ( 0.2003547 -0.3483665 0.7298778), wk = 0.0029674 k( 300) = ( 0.2068915 -0.3597323 0.7114283), wk = 0.0029674 k( 301) = ( 0.2134283 -0.3710982 0.6929788), wk = 0.0029674 k( 302) = ( 0.2199651 -0.3824640 0.6745293), wk = 0.0029674 k( 303) = ( 0.2265019 -0.3938298 0.6560798), wk = 0.0029674 k( 304) = ( 0.2330387 -0.4051957 0.6376303), wk = 0.0029674 k( 305) = ( 0.2395755 -0.4165615 0.6191808), wk = 0.0029674 k( 306) = ( 0.2461123 -0.4279273 0.6007312), wk = 0.0029674 k( 307) = ( 0.2526490 -0.4392931 0.5822818), wk = 0.0029674 k( 308) = ( 0.2591858 -0.4506590 0.5638322), wk = 0.0029674 k( 309) = ( 0.2657226 -0.4620248 0.5453827), wk = 0.0029674 k( 310) = ( 0.2722594 -0.4733906 0.5269332), wk = 0.0029674 k( 311) = ( 0.2787962 -0.4847565 0.5084837), wk = 0.0029674 k( 312) = ( 0.2853330 -0.4961223 0.4900342), wk = 0.0029674 k( 313) = ( 0.2918698 -0.5074881 0.4715847), wk = 0.0029674 k( 314) = ( 0.2984066 -0.5188540 0.4531352), wk = 0.0029674 k( 315) = ( 0.3049434 -0.5302198 0.4346857), wk = 0.0029674 k( 316) = ( 0.6950567 -0.0515913 0.2780462), wk = 0.0029674 k( 317) = ( 0.6857682 -0.0354411 0.2648059), wk = 0.0029674 k( 318) = ( 0.6764798 -0.0192909 0.2515656), wk = 0.0029674 k( 319) = ( 0.6671914 -0.0031407 0.2383253), wk = 0.0029674 k( 320) = ( 0.6579030 0.0130095 0.2250850), wk = 0.0029674 k( 321) = ( 0.6486146 0.0291597 0.2118447), wk = 0.0029674 k( 322) = ( 0.6393262 0.0453100 0.1986044), wk = 0.0029674 k( 323) = ( 0.6300378 0.0614602 0.1853641), wk = 0.0029674 k( 324) = ( 0.6207494 0.0776104 0.1721238), wk = 0.0029674 k( 325) = ( 0.6114610 0.0937606 0.1588835), wk = 0.0029674 k( 326) = ( 0.6021725 0.1099108 0.1456432), wk = 0.0029674 k( 327) = ( 0.5928841 0.1260610 0.1324029), wk = 0.0029674 k( 328) = ( 0.5835957 0.1422112 0.1191626), wk = 0.0029674 k( 329) = ( 0.5743073 0.1583614 0.1059224), wk = 0.0029674 k( 330) = ( 0.5650189 0.1745117 0.0926821), wk = 0.0029674 k( 331) = ( 0.5557305 0.1906619 0.0794418), wk = 0.0029674 k( 332) = ( 0.5464421 0.2068121 0.0662015), wk = 0.0029674 k( 333) = ( 0.5371537 0.2229623 0.0529612), wk = 0.0029674 k( 334) = ( 0.5278652 0.2391125 0.0397209), wk = 0.0029674 k( 335) = ( 0.5185768 0.2552627 0.0264806), wk = 0.0029674 k( 336) = ( 0.5092884 0.2714129 0.0132403), wk = 0.0029674 k( 337) = ( 0.5000000 0.2875631 -0.0000000), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( -0.0066131 0.0066131 0.0066131), wk = 0.0029674 k( 3) = ( -0.0132262 0.0132261 0.0132262), wk = 0.0029674 k( 4) = ( -0.0198392 0.0198392 0.0198392), wk = 0.0029674 k( 5) = ( -0.0264523 0.0264523 0.0264523), wk = 0.0029674 k( 6) = ( -0.0330654 0.0330654 0.0330654), wk = 0.0029674 k( 7) = ( -0.0396785 0.0396785 0.0396785), wk = 0.0029674 k( 8) = ( -0.0462915 0.0462915 0.0462915), wk = 0.0029674 k( 9) = ( -0.0529046 0.0529046 0.0529046), wk = 0.0029674 k( 10) = ( -0.0595177 0.0595177 0.0595177), wk = 0.0029674 k( 11) = ( -0.0661308 0.0661308 0.0661308), wk = 0.0029674 k( 12) = ( -0.0727438 0.0727438 0.0727438), wk = 0.0029674 k( 13) = ( -0.0793569 0.0793569 0.0793569), wk = 0.0029674 k( 14) = ( -0.0859700 0.0859700 0.0859700), wk = 0.0029674 k( 15) = ( -0.0925831 0.0925831 0.0925831), wk = 0.0029674 k( 16) = ( -0.0991961 0.0991961 0.0991962), wk = 0.0029674 k( 17) = ( -0.1058092 0.1058092 0.1058092), wk = 0.0029674 k( 18) = ( -0.1124223 0.1124223 0.1124223), wk = 0.0029674 k( 19) = ( -0.1190354 0.1190354 0.1190354), wk = 0.0029674 k( 20) = ( -0.1256485 0.1256485 0.1256485), wk = 0.0029674 k( 21) = ( -0.1322615 0.1322615 0.1322615), wk = 0.0029674 k( 22) = ( -0.1388746 0.1388746 0.1388746), wk = 0.0029674 k( 23) = ( -0.1454877 0.1454877 0.1454877), wk = 0.0029674 k( 24) = ( -0.1521008 0.1521008 0.1521008), wk = 0.0029674 k( 25) = ( -0.1587138 0.1587138 0.1587138), wk = 0.0029674 k( 26) = ( -0.1653269 0.1653269 0.1653269), wk = 0.0029674 k( 27) = ( -0.1719400 0.1719400 0.1719400), wk = 0.0029674 k( 28) = ( -0.1785531 0.1785531 0.1785531), wk = 0.0029674 k( 29) = ( -0.1851662 0.1851661 0.1851662), wk = 0.0029674 k( 30) = ( -0.1917792 0.1917792 0.1917792), wk = 0.0029674 k( 31) = ( -0.1983923 0.1983923 0.1983923), wk = 0.0029674 k( 32) = ( -0.2050054 0.2050054 0.2050054), wk = 0.0029674 k( 33) = ( -0.2116185 0.2116184 0.2116185), wk = 0.0029674 k( 34) = ( -0.2182315 0.2182315 0.2182315), wk = 0.0029674 k( 35) = ( -0.2248446 0.2248446 0.2248446), wk = 0.0029674 k( 36) = ( -0.2314577 0.2314577 0.2314577), wk = 0.0029674 k( 37) = ( -0.2380708 0.2380708 0.2380708), wk = 0.0029674 k( 38) = ( -0.2446838 0.2446838 0.2446838), wk = 0.0029674 k( 39) = ( -0.2512969 0.2512969 0.2512969), wk = 0.0029674 k( 40) = ( -0.2579100 0.2579100 0.2579100), wk = 0.0029674 k( 41) = ( -0.2645231 0.2645231 0.2645231), wk = 0.0029674 k( 42) = ( -0.2711361 0.2711361 0.2711361), wk = 0.0029674 k( 43) = ( -0.2777492 0.2777492 0.2777492), wk = 0.0029674 k( 44) = ( -0.2777492 0.2777492 0.2777492), wk = 0.0029674 k( 45) = ( -0.2684608 0.2684608 0.2870376), wk = 0.0029674 k( 46) = ( -0.2591724 0.2591724 0.2963260), wk = 0.0029674 k( 47) = ( -0.2498840 0.2498840 0.3056144), wk = 0.0029674 k( 48) = ( -0.2405956 0.2405956 0.3149029), wk = 0.0029674 k( 49) = ( -0.2313072 0.2313072 0.3241913), wk = 0.0029674 k( 50) = ( -0.2220187 0.2220188 0.3334797), wk = 0.0029674 k( 51) = ( -0.2127303 0.2127303 0.3427681), wk = 0.0029674 k( 52) = ( -0.2034419 0.2034419 0.3520565), wk = 0.0029674 k( 53) = ( -0.1941535 0.1941535 0.3613449), wk = 0.0029674 k( 54) = ( -0.1848651 0.1848651 0.3706333), wk = 0.0029674 k( 55) = ( -0.1755767 0.1755767 0.3799217), wk = 0.0029674 k( 56) = ( -0.1662883 0.1662883 0.3892102), wk = 0.0029674 k( 57) = ( -0.1569999 0.1569999 0.3984986), wk = 0.0029674 k( 58) = ( -0.1477114 0.1477114 0.4077870), wk = 0.0029674 k( 59) = ( -0.1384230 0.1384230 0.4170754), wk = 0.0029674 k( 60) = ( -0.1291346 0.1291346 0.4263638), wk = 0.0029674 k( 61) = ( -0.1198462 0.1198462 0.4356522), wk = 0.0029674 k( 62) = ( -0.1105578 0.1105578 0.4449406), wk = 0.0029674 k( 63) = ( -0.1012694 0.1012694 0.4542291), wk = 0.0029674 k( 64) = ( -0.0919810 0.0919810 0.4635175), wk = 0.0029674 k( 65) = ( -0.0826926 0.0826926 0.4728059), wk = 0.0029674 k( 66) = ( -0.0826926 0.0826926 0.4728059), wk = 0.0029674 k( 67) = ( -0.0723560 0.0723560 0.4762051), wk = 0.0029674 k( 68) = ( -0.0620194 0.0620194 0.4796044), wk = 0.0029674 k( 69) = ( -0.0516829 0.0516829 0.4830037), wk = 0.0029674 k( 70) = ( -0.0413463 0.0413463 0.4864029), wk = 0.0029674 k( 71) = ( -0.0310097 0.0310097 0.4898022), wk = 0.0029674 k( 72) = ( -0.0206731 0.0206731 0.4932015), wk = 0.0029674 k( 73) = ( -0.0103366 0.0103366 0.4966007), wk = 0.0029674 k( 74) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 75) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 76) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0029674 k( 77) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0029674 k( 78) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0029674 k( 79) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0029674 k( 80) = ( 0.0961538 0.0961538 0.4038462), wk = 0.0029674 k( 81) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0029674 k( 82) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0029674 k( 83) = ( 0.1538461 0.1538461 0.3461538), wk = 0.0029674 k( 84) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0029674 k( 85) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0029674 k( 86) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0029674 k( 87) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0029674 k( 88) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029674 k( 89) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029674 k( 90) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0029674 k( 91) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0029674 k( 92) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0029674 k( 93) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0029674 k( 94) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0029674 k( 95) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0029674 k( 96) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0029674 k( 97) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0029674 k( 98) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0029674 k( 99) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0029674 k( 100) = ( 0.1481482 0.3518518 0.1481481), wk = 0.0029674 k( 101) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0029674 k( 102) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0029674 k( 103) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0029674 k( 104) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0029674 k( 105) = ( 0.1018518 0.3981481 0.1018518), wk = 0.0029674 k( 106) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0029674 k( 107) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0029674 k( 108) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0029674 k( 109) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0029674 k( 110) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0029674 k( 111) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0029674 k( 112) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0029674 k( 113) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0029674 k( 114) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0029674 k( 115) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0029674 k( 116) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029674 k( 117) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029674 k( 118) = ( 0.0198392 0.5158751 -0.0198392), wk = 0.0029674 k( 119) = ( 0.0396785 0.5317501 -0.0396785), wk = 0.0029674 k( 120) = ( 0.0595177 0.5476252 -0.0595177), wk = 0.0029674 k( 121) = ( 0.0793569 0.5635002 -0.0793569), wk = 0.0029674 k( 122) = ( 0.0991961 0.5793753 -0.0991962), wk = 0.0029674 k( 123) = ( 0.1190354 0.5952503 -0.1190354), wk = 0.0029674 k( 124) = ( 0.1388746 0.6111254 -0.1388746), wk = 0.0029674 k( 125) = ( 0.1587138 0.6270005 -0.1587138), wk = 0.0029674 k( 126) = ( 0.1785531 0.6428755 -0.1785531), wk = 0.0029674 k( 127) = ( 0.1983923 0.6587506 -0.1983923), wk = 0.0029674 k( 128) = ( 0.2182315 0.6746256 -0.2182315), wk = 0.0029674 k( 129) = ( 0.2380708 0.6905007 -0.2380708), wk = 0.0029674 k( 130) = ( 0.2579100 0.7063757 -0.2579100), wk = 0.0029674 k( 131) = ( 0.2777492 0.7222508 -0.2777492), wk = 0.0029674 k( 132) = ( 0.2777492 0.7222508 -0.2777492), wk = 0.0029674 k( 133) = ( 0.2842860 0.7157140 -0.2842860), wk = 0.0029674 k( 134) = ( 0.2908228 0.7091772 -0.2908228), wk = 0.0029674 k( 135) = ( 0.2973596 0.7026404 -0.2973596), wk = 0.0029674 k( 136) = ( 0.3038964 0.6961036 -0.3038964), wk = 0.0029674 k( 137) = ( 0.3104332 0.6895668 -0.3104332), wk = 0.0029674 k( 138) = ( 0.3169699 0.6830301 -0.3169699), wk = 0.0029674 k( 139) = ( 0.3235067 0.6764933 -0.3235067), wk = 0.0029674 k( 140) = ( 0.3300435 0.6699565 -0.3300435), wk = 0.0029674 k( 141) = ( 0.3365803 0.6634197 -0.3365803), wk = 0.0029674 k( 142) = ( 0.3431171 0.6568829 -0.3431171), wk = 0.0029674 k( 143) = ( 0.3496539 0.6503461 -0.3496539), wk = 0.0029674 k( 144) = ( 0.3561907 0.6438093 -0.3561907), wk = 0.0029674 k( 145) = ( 0.3627275 0.6372725 -0.3627275), wk = 0.0029674 k( 146) = ( 0.3692643 0.6307357 -0.3692643), wk = 0.0029674 k( 147) = ( 0.3758010 0.6241990 -0.3758010), wk = 0.0029674 k( 148) = ( 0.3823378 0.6176622 -0.3823378), wk = 0.0029674 k( 149) = ( 0.3888746 0.6111254 -0.3888746), wk = 0.0029674 k( 150) = ( 0.3954114 0.6045886 -0.3954114), wk = 0.0029674 k( 151) = ( 0.4019482 0.5980518 -0.4019482), wk = 0.0029674 k( 152) = ( 0.4084850 0.5915150 -0.4084850), wk = 0.0029674 k( 153) = ( 0.4150218 0.5849782 -0.4150218), wk = 0.0029674 k( 154) = ( 0.4215585 0.5784414 -0.4215585), wk = 0.0029674 k( 155) = ( 0.4280953 0.5719047 -0.4280953), wk = 0.0029674 k( 156) = ( 0.4346321 0.5653679 -0.4346321), wk = 0.0029674 k( 157) = ( 0.4411689 0.5588311 -0.4411689), wk = 0.0029674 k( 158) = ( 0.4477057 0.5522943 -0.4477057), wk = 0.0029674 k( 159) = ( 0.4542425 0.5457575 -0.4542425), wk = 0.0029674 k( 160) = ( 0.4607793 0.5392207 -0.4607793), wk = 0.0029674 k( 161) = ( 0.4673161 0.5326839 -0.4673161), wk = 0.0029674 k( 162) = ( 0.4738528 0.5261472 -0.4738529), wk = 0.0029674 k( 163) = ( 0.4803896 0.5196104 -0.4803896), wk = 0.0029674 k( 164) = ( 0.4869264 0.5130736 -0.4869264), wk = 0.0029674 k( 165) = ( 0.4934632 0.5065368 -0.4934632), wk = 0.0029674 k( 166) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029674 k( 167) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029674 k( 168) = ( 0.4800000 0.4800000 -0.4800000), wk = 0.0029674 k( 169) = ( 0.4600000 0.4600000 -0.4600000), wk = 0.0029674 k( 170) = ( 0.4400000 0.4400000 -0.4400000), wk = 0.0029674 k( 171) = ( 0.4200000 0.4200000 -0.4200000), wk = 0.0029674 k( 172) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0029674 k( 173) = ( 0.3800000 0.3800000 -0.3800000), wk = 0.0029674 k( 174) = ( 0.3600000 0.3600000 -0.3600000), wk = 0.0029674 k( 175) = ( 0.3400000 0.3400000 -0.3400000), wk = 0.0029674 k( 176) = ( 0.3200000 0.3200000 -0.3200000), wk = 0.0029674 k( 177) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0029674 k( 178) = ( 0.2800000 0.2800000 -0.2800000), wk = 0.0029674 k( 179) = ( 0.2600000 0.2600000 -0.2600000), wk = 0.0029674 k( 180) = ( 0.2400000 0.2400000 -0.2400000), wk = 0.0029674 k( 181) = ( 0.2200000 0.2200000 -0.2200000), wk = 0.0029674 k( 182) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0029674 k( 183) = ( 0.1800000 0.1800000 -0.1800000), wk = 0.0029674 k( 184) = ( 0.1600000 0.1600000 -0.1600000), wk = 0.0029674 k( 185) = ( 0.1400000 0.1400000 -0.1400000), wk = 0.0029674 k( 186) = ( 0.1200000 0.1200000 -0.1200000), wk = 0.0029674 k( 187) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0029674 k( 188) = ( 0.0800000 0.0800000 -0.0800000), wk = 0.0029674 k( 189) = ( 0.0600000 0.0600000 -0.0600000), wk = 0.0029674 k( 190) = ( 0.0400000 0.0400000 -0.0400000), wk = 0.0029674 k( 191) = ( 0.0200000 0.0200000 -0.0200000), wk = 0.0029674 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 194) = ( 0.0092407 -0.0092407 0.0092407), wk = 0.0029674 k( 195) = ( 0.0184814 -0.0184814 0.0184814), wk = 0.0029674 k( 196) = ( 0.0277221 -0.0277221 0.0277221), wk = 0.0029674 k( 197) = ( 0.0369628 -0.0369628 0.0369628), wk = 0.0029674 k( 198) = ( 0.0462035 -0.0462035 0.0462035), wk = 0.0029674 k( 199) = ( 0.0554442 -0.0554442 0.0554442), wk = 0.0029674 k( 200) = ( 0.0646850 -0.0646850 0.0646850), wk = 0.0029674 k( 201) = ( 0.0739257 -0.0739257 0.0739257), wk = 0.0029674 k( 202) = ( 0.0831664 -0.0831664 0.0831664), wk = 0.0029674 k( 203) = ( 0.0924071 -0.0924071 0.0924071), wk = 0.0029674 k( 204) = ( 0.1016478 -0.1016478 0.1016478), wk = 0.0029674 k( 205) = ( 0.1108885 -0.1108885 0.1108885), wk = 0.0029674 k( 206) = ( 0.1201292 -0.1201292 0.1201292), wk = 0.0029674 k( 207) = ( 0.1293699 -0.1293699 0.1293699), wk = 0.0029674 k( 208) = ( 0.1386106 -0.1386106 0.1386106), wk = 0.0029674 k( 209) = ( 0.1478513 -0.1478513 0.1478513), wk = 0.0029674 k( 210) = ( 0.1570920 -0.1570920 0.1570920), wk = 0.0029674 k( 211) = ( 0.1663327 -0.1663327 0.1663327), wk = 0.0029674 k( 212) = ( 0.1755734 -0.1755734 0.1755734), wk = 0.0029674 k( 213) = ( 0.1848142 -0.1848141 0.1848141), wk = 0.0029674 k( 214) = ( 0.1940549 -0.1940549 0.1940549), wk = 0.0029674 k( 215) = ( 0.2032956 -0.2032956 0.2032956), wk = 0.0029674 k( 216) = ( 0.2125363 -0.2125363 0.2125363), wk = 0.0029674 k( 217) = ( 0.2217770 -0.2217770 0.2217770), wk = 0.0029674 k( 218) = ( 0.2310177 -0.2310177 0.2310177), wk = 0.0029674 k( 219) = ( 0.2402584 -0.2402584 0.2402584), wk = 0.0029674 k( 220) = ( 0.2494991 -0.2494991 0.2494991), wk = 0.0029674 k( 221) = ( 0.2587398 -0.2587398 0.2587398), wk = 0.0029674 k( 222) = ( 0.2679805 -0.2679805 0.2679805), wk = 0.0029674 k( 223) = ( 0.2772212 -0.2772212 0.2772212), wk = 0.0029674 k( 224) = ( 0.2864619 -0.2864619 0.2864619), wk = 0.0029674 k( 225) = ( 0.2957026 -0.2957026 0.2957026), wk = 0.0029674 k( 226) = ( 0.3049434 -0.3049434 0.3049434), wk = 0.0029674 k( 227) = ( 0.3049434 -0.3049434 0.3049434), wk = 0.0029674 k( 228) = ( 0.3188760 -0.2831617 0.2831617), wk = 0.0029674 k( 229) = ( 0.3328086 -0.2613800 0.2613800), wk = 0.0029674 k( 230) = ( 0.3467412 -0.2395983 0.2395983), wk = 0.0029674 k( 231) = ( 0.3606738 -0.2178167 0.2178167), wk = 0.0029674 k( 232) = ( 0.3746064 -0.1960350 0.1960350), wk = 0.0029674 k( 233) = ( 0.3885390 -0.1742533 0.1742533), wk = 0.0029674 k( 234) = ( 0.4024717 -0.1524717 0.1524717), wk = 0.0029674 k( 235) = ( 0.4164043 -0.1306900 0.1306900), wk = 0.0029674 k( 236) = ( 0.4303369 -0.1089083 0.1089083), wk = 0.0029674 k( 237) = ( 0.4442695 -0.0871267 0.0871267), wk = 0.0029674 k( 238) = ( 0.4582021 -0.0653450 0.0653450), wk = 0.0029674 k( 239) = ( 0.4721348 -0.0435633 0.0435633), wk = 0.0029674 k( 240) = ( 0.4860674 -0.0217817 0.0217817), wk = 0.0029674 k( 241) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029674 k( 242) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029674 k( 243) = ( 0.4934211 0.0065790 0.0065790), wk = 0.0029674 k( 244) = ( 0.4868421 0.0131579 0.0131579), wk = 0.0029674 k( 245) = ( 0.4802632 0.0197368 0.0197368), wk = 0.0029674 k( 246) = ( 0.4736842 0.0263158 0.0263158), wk = 0.0029674 k( 247) = ( 0.4671053 0.0328947 0.0328947), wk = 0.0029674 k( 248) = ( 0.4605263 0.0394737 0.0394737), wk = 0.0029674 k( 249) = ( 0.4539474 0.0460526 0.0460526), wk = 0.0029674 k( 250) = ( 0.4473684 0.0526316 0.0526316), wk = 0.0029674 k( 251) = ( 0.4407895 0.0592105 0.0592105), wk = 0.0029674 k( 252) = ( 0.4342105 0.0657895 0.0657895), wk = 0.0029674 k( 253) = ( 0.4276316 0.0723684 0.0723684), wk = 0.0029674 k( 254) = ( 0.4210526 0.0789474 0.0789474), wk = 0.0029674 k( 255) = ( 0.4144737 0.0855263 0.0855263), wk = 0.0029674 k( 256) = ( 0.4078947 0.0921053 0.0921053), wk = 0.0029674 k( 257) = ( 0.4013158 0.0986842 0.0986842), wk = 0.0029674 k( 258) = ( 0.3947368 0.1052632 0.1052632), wk = 0.0029674 k( 259) = ( 0.3881579 0.1118421 0.1118421), wk = 0.0029674 k( 260) = ( 0.3815789 0.1184210 0.1184210), wk = 0.0029674 k( 261) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0029674 k( 262) = ( 0.3684211 0.1315790 0.1315789), wk = 0.0029674 k( 263) = ( 0.3618421 0.1381579 0.1381579), wk = 0.0029674 k( 264) = ( 0.3552632 0.1447368 0.1447368), wk = 0.0029674 k( 265) = ( 0.3486842 0.1513158 0.1513158), wk = 0.0029674 k( 266) = ( 0.3421053 0.1578947 0.1578947), wk = 0.0029674 k( 267) = ( 0.3355263 0.1644737 0.1644737), wk = 0.0029674 k( 268) = ( 0.3289474 0.1710526 0.1710526), wk = 0.0029674 k( 269) = ( 0.3223684 0.1776316 0.1776316), wk = 0.0029674 k( 270) = ( 0.3157895 0.1842105 0.1842105), wk = 0.0029674 k( 271) = ( 0.3092105 0.1907895 0.1907895), wk = 0.0029674 k( 272) = ( 0.3026316 0.1973684 0.1973684), wk = 0.0029674 k( 273) = ( 0.2960526 0.2039474 0.2039474), wk = 0.0029674 k( 274) = ( 0.2894737 0.2105263 0.2105263), wk = 0.0029674 k( 275) = ( 0.2828947 0.2171053 0.2171053), wk = 0.0029674 k( 276) = ( 0.2763158 0.2236842 0.2236842), wk = 0.0029674 k( 277) = ( 0.2697368 0.2302632 0.2302632), wk = 0.0029674 k( 278) = ( 0.2631579 0.2368421 0.2368421), wk = 0.0029674 k( 279) = ( 0.2565789 0.2434210 0.2434210), wk = 0.0029674 k( 280) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029674 k( 281) = ( 0.0826926 -0.0826926 0.5271941), wk = 0.0029674 k( 282) = ( 0.0892293 -0.0892294 0.5206573), wk = 0.0029674 k( 283) = ( 0.0957661 -0.0957661 0.5141206), wk = 0.0029674 k( 284) = ( 0.1023029 -0.1023029 0.5075838), wk = 0.0029674 k( 285) = ( 0.1088397 -0.1088397 0.5010470), wk = 0.0029674 k( 286) = ( 0.1153765 -0.1153765 0.4945102), wk = 0.0029674 k( 287) = ( 0.1219133 -0.1219133 0.4879734), wk = 0.0029674 k( 288) = ( 0.1284501 -0.1284501 0.4814366), wk = 0.0029674 k( 289) = ( 0.1349869 -0.1349869 0.4748998), wk = 0.0029674 k( 290) = ( 0.1415237 -0.1415237 0.4683630), wk = 0.0029674 k( 291) = ( 0.1480604 -0.1480604 0.4618262), wk = 0.0029674 k( 292) = ( 0.1545972 -0.1545972 0.4552895), wk = 0.0029674 k( 293) = ( 0.1611340 -0.1611340 0.4487527), wk = 0.0029674 k( 294) = ( 0.1676708 -0.1676708 0.4422159), wk = 0.0029674 k( 295) = ( 0.1742076 -0.1742076 0.4356791), wk = 0.0029674 k( 296) = ( 0.1807444 -0.1807444 0.4291423), wk = 0.0029674 k( 297) = ( 0.1872812 -0.1872812 0.4226055), wk = 0.0029674 k( 298) = ( 0.1938179 -0.1938179 0.4160687), wk = 0.0029674 k( 299) = ( 0.2003547 -0.2003547 0.4095319), wk = 0.0029674 k( 300) = ( 0.2068915 -0.2068915 0.4029952), wk = 0.0029674 k( 301) = ( 0.2134283 -0.2134283 0.3964584), wk = 0.0029674 k( 302) = ( 0.2199651 -0.2199651 0.3899216), wk = 0.0029674 k( 303) = ( 0.2265019 -0.2265019 0.3833848), wk = 0.0029674 k( 304) = ( 0.2330387 -0.2330387 0.3768480), wk = 0.0029674 k( 305) = ( 0.2395755 -0.2395755 0.3703112), wk = 0.0029674 k( 306) = ( 0.2461123 -0.2461123 0.3637744), wk = 0.0029674 k( 307) = ( 0.2526490 -0.2526490 0.3572377), wk = 0.0029674 k( 308) = ( 0.2591858 -0.2591858 0.3507009), wk = 0.0029674 k( 309) = ( 0.2657226 -0.2657226 0.3441641), wk = 0.0029674 k( 310) = ( 0.2722594 -0.2722594 0.3376273), wk = 0.0029674 k( 311) = ( 0.2787962 -0.2787962 0.3310905), wk = 0.0029674 k( 312) = ( 0.2853330 -0.2853330 0.3245537), wk = 0.0029674 k( 313) = ( 0.2918698 -0.2918698 0.3180169), wk = 0.0029674 k( 314) = ( 0.2984066 -0.2984066 0.3114801), wk = 0.0029674 k( 315) = ( 0.3049434 -0.3049434 0.3049434), wk = 0.0029674 k( 316) = ( 0.6950567 0.3049433 -0.3049434), wk = 0.0029674 k( 317) = ( 0.6857682 0.3142318 -0.3142318), wk = 0.0029674 k( 318) = ( 0.6764798 0.3235202 -0.3235202), wk = 0.0029674 k( 319) = ( 0.6671914 0.3328086 -0.3328086), wk = 0.0029674 k( 320) = ( 0.6579030 0.3420970 -0.3420970), wk = 0.0029674 k( 321) = ( 0.6486146 0.3513854 -0.3513854), wk = 0.0029674 k( 322) = ( 0.6393262 0.3606738 -0.3606738), wk = 0.0029674 k( 323) = ( 0.6300378 0.3699622 -0.3699622), wk = 0.0029674 k( 324) = ( 0.6207494 0.3792506 -0.3792506), wk = 0.0029674 k( 325) = ( 0.6114610 0.3885390 -0.3885391), wk = 0.0029674 k( 326) = ( 0.6021725 0.3978275 -0.3978275), wk = 0.0029674 k( 327) = ( 0.5928841 0.4071159 -0.4071159), wk = 0.0029674 k( 328) = ( 0.5835957 0.4164043 -0.4164043), wk = 0.0029674 k( 329) = ( 0.5743073 0.4256927 -0.4256927), wk = 0.0029674 k( 330) = ( 0.5650189 0.4349811 -0.4349811), wk = 0.0029674 k( 331) = ( 0.5557305 0.4442695 -0.4442695), wk = 0.0029674 k( 332) = ( 0.5464421 0.4535579 -0.4535579), wk = 0.0029674 k( 333) = ( 0.5371537 0.4628463 -0.4628464), wk = 0.0029674 k( 334) = ( 0.5278652 0.4721348 -0.4721348), wk = 0.0029674 k( 335) = ( 0.5185768 0.4814232 -0.4814232), wk = 0.0029674 k( 336) = ( 0.5092884 0.4907116 -0.4907116), wk = 0.0029674 k( 337) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029674 Dense grid: 65707 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 44907 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 244, 52) NL pseudopotentials 0.24 Mb ( 122, 130) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1369) G-vector shells 0.01 Mb ( 1175) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 244, 208) Each subspace H/S matrix 0.66 Mb ( 208, 208) Each matrix 0.21 Mb ( 130, 2, 52) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Cu2GeTe3.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.6 secs Computing kpt #: 2 total cpu time spent up to now is 46.4 secs Computing kpt #: 3 total cpu time spent up to now is 48.9 secs Computing kpt #: 4 total cpu time spent up to now is 51.3 secs Computing kpt #: 5 total cpu time spent up to now is 53.8 secs Computing kpt #: 6 total cpu time spent up to now is 56.4 secs Computing kpt #: 7 total cpu time spent up to now is 58.9 secs Computing kpt #: 8 total cpu time spent up to now is 61.6 secs Computing kpt #: 9 total cpu time spent up to now is 64.0 secs Computing kpt #: 10 total cpu time spent up to now is 66.1 secs Computing kpt #: 11 total cpu time spent up to now is 68.3 secs Computing kpt #: 12 total cpu time spent up to now is 70.5 secs Computing kpt #: 13 total cpu time spent up to now is 72.7 secs Computing kpt #: 14 total cpu time spent up to now is 75.0 secs Computing kpt #: 15 total cpu time spent up to now is 77.2 secs Computing kpt #: 16 total cpu time spent up to now is 79.3 secs Computing kpt #: 17 total cpu time spent up to now is 81.5 secs Computing kpt #: 18 total cpu time spent up to now is 83.7 secs Computing kpt #: 19 total cpu time spent up to now is 86.1 secs Computing kpt #: 20 total cpu time spent up to now is 88.6 secs Computing kpt #: 21 total cpu time spent up to now is 91.1 secs Computing kpt #: 22 total cpu time spent up to now is 93.7 secs Computing kpt #: 23 total cpu time spent up to now is 95.8 secs Computing kpt #: 24 total cpu time spent up to now is 98.4 secs Computing kpt #: 25 total cpu time spent up to now is 100.9 secs Computing kpt #: 26 total cpu time spent up to now is 103.5 secs Computing kpt #: 27 total cpu time spent up to now is 106.1 secs Computing kpt #: 28 total cpu time spent up to now is 108.8 secs Computing kpt #: 29 total cpu time spent up to now is 111.4 secs Computing kpt #: 30 total cpu time spent up to now is 114.1 secs Computing kpt #: 31 total cpu time spent up to now is 116.7 secs Computing kpt #: 32 total cpu time spent up to now is 119.3 secs Computing kpt #: 33 total cpu time spent up to now is 122.0 secs Computing kpt #: 34 total cpu time spent up to now is 124.6 secs Computing kpt #: 35 total cpu time spent up to now is 127.2 secs Computing kpt #: 36 total cpu time spent up to now is 129.9 secs Computing kpt #: 37 total cpu time spent up to now is 132.5 secs Computing kpt #: 38 total cpu time spent up to now is 135.2 secs Computing kpt #: 39 total cpu time spent up to now is 137.9 secs Computing kpt #: 40 total cpu time spent up to now is 140.6 secs Computing kpt #: 41 total cpu time spent up to now is 143.4 secs Computing kpt #: 42 total cpu time spent up to now is 146.1 secs Computing kpt #: 43 total cpu time spent up to now is 148.9 secs Computing kpt #: 44 total cpu time spent up to now is 151.7 secs Computing kpt #: 45 total cpu time spent up to now is 154.4 secs Computing kpt #: 46 total cpu time spent up to now is 157.1 secs Computing kpt #: 47 total cpu time spent up to now is 159.8 secs Computing kpt #: 48 total cpu time spent up to now is 162.5 secs Computing kpt #: 49 total cpu time spent up to now is 165.2 secs Computing kpt #: 50 total cpu time spent up to now is 167.9 secs Computing kpt #: 51 total cpu time spent up to now is 170.5 secs Computing kpt #: 52 total cpu time spent up to now is 173.2 secs Computing kpt #: 53 total cpu time spent up to now is 175.9 secs Computing kpt #: 54 total cpu time spent up to now is 178.4 secs Computing kpt #: 55 total cpu time spent up to now is 181.0 secs Computing kpt #: 56 total cpu time spent up to now is 183.8 secs Computing kpt #: 57 total cpu time spent up to now is 188.1 secs Computing kpt #: 58 total cpu time spent up to now is 191.5 secs Computing kpt #: 59 total cpu time spent up to now is 194.0 secs Computing kpt #: 60 total cpu time spent up to now is 196.7 secs Computing kpt #: 61 total cpu time spent up to now is 199.3 secs Computing kpt #: 62 total cpu time spent up to now is 202.0 secs Computing kpt #: 63 total cpu time spent up to now is 204.6 secs Computing kpt #: 64 total cpu time spent up to now is 207.3 secs Computing kpt #: 65 total cpu time spent up to now is 209.9 secs Computing kpt #: 66 total cpu time spent up to now is 212.5 secs Computing kpt #: 67 total cpu time spent up to now is 215.0 secs Computing kpt #: 68 total cpu time spent up to now is 217.7 secs Computing kpt #: 69 total cpu time spent up to now is 220.3 secs Computing kpt #: 70 total cpu time spent up to now is 223.0 secs Computing kpt #: 71 total cpu time spent up to now is 225.5 secs Computing kpt #: 72 total cpu time spent up to now is 228.1 secs Computing kpt #: 73 total cpu time spent up to now is 230.6 secs Computing kpt #: 74 total cpu time spent up to now is 233.0 secs Computing kpt #: 75 total cpu time spent up to now is 235.6 secs Computing kpt #: 76 total cpu time spent up to now is 238.1 secs Computing kpt #: 77 total cpu time spent up to now is 240.7 secs Computing kpt #: 78 total cpu time spent up to now is 243.2 secs Computing kpt #: 79 total cpu time spent up to now is 245.8 secs Computing kpt #: 80 total cpu time spent up to now is 248.4 secs Computing kpt #: 81 total cpu time spent up to now is 251.1 secs Computing kpt #: 82 total cpu time spent up to now is 253.9 secs Computing kpt #: 83 total cpu time spent up to now is 256.7 secs Computing kpt #: 84 total cpu time spent up to now is 259.6 secs Computing kpt #: 85 total cpu time spent up to now is 262.5 secs Computing kpt #: 86 total cpu time spent up to now is 265.3 secs Computing kpt #: 87 total cpu time spent up to now is 268.1 secs Computing kpt #: 88 total cpu time spent up to now is 271.1 secs Computing kpt #: 89 total cpu time spent up to now is 273.9 secs Computing kpt #: 90 total cpu time spent up to now is 276.6 secs Computing kpt #: 91 total cpu time spent up to now is 279.5 secs Computing kpt #: 92 total cpu time spent up to now is 282.3 secs Computing kpt #: 93 total cpu time spent up to now is 284.9 secs Computing kpt #: 94 total cpu time spent up to now is 287.6 secs Computing kpt #: 95 total cpu time spent up to now is 290.2 secs Computing kpt #: 96 total cpu time spent up to now is 292.8 secs Computing kpt #: 97 total cpu time spent up to now is 295.4 secs Computing kpt #: 98 total cpu time spent up to now is 298.0 secs Computing kpt #: 99 total cpu time spent up to now is 300.6 secs Computing kpt #: 100 total cpu time spent up to now is 303.1 secs Computing kpt #: 101 total cpu time spent up to now is 305.7 secs Computing kpt #: 102 total cpu time spent up to now is 308.2 secs Computing kpt #: 103 total cpu time spent up to now is 310.8 secs Computing kpt #: 104 total cpu time spent up to now is 313.4 secs Computing kpt #: 105 total cpu time spent up to now is 315.9 secs Computing kpt #: 106 total cpu time spent up to now is 318.5 secs Computing kpt #: 107 total cpu time spent up to now is 321.1 secs Computing kpt #: 108 total cpu time spent up to now is 323.5 secs Computing kpt #: 109 total cpu time spent up to now is 326.0 secs Computing kpt #: 110 total cpu time spent up to now is 328.4 secs Computing kpt #: 111 total cpu time spent up to now is 330.7 secs Computing kpt #: 112 total cpu time spent up to now is 332.9 secs Computing kpt #: 113 total cpu time spent up to now is 335.3 secs Computing kpt #: 114 total cpu time spent up to now is 337.6 secs Computing kpt #: 115 total cpu time spent up to now is 340.1 secs Computing kpt #: 116 total cpu time spent up to now is 342.5 secs Computing kpt #: 117 total cpu time spent up to now is 345.0 secs Computing kpt #: 118 total cpu time spent up to now is 347.4 secs Computing kpt #: 119 total cpu time spent up to now is 349.9 secs Computing kpt #: 120 total cpu time spent up to now is 352.4 secs Computing kpt #: 121 total cpu time spent up to now is 355.0 secs Computing kpt #: 122 total cpu time spent up to now is 357.5 secs Computing kpt #: 123 total cpu time spent up to now is 360.3 secs Computing kpt #: 124 total cpu time spent up to now is 362.9 secs Computing kpt #: 125 total cpu time spent up to now is 365.4 secs Computing kpt #: 126 total cpu time spent up to now is 368.0 secs Computing kpt #: 127 total cpu time spent up to now is 370.6 secs Computing kpt #: 128 total cpu time spent up to now is 373.4 secs Computing kpt #: 129 total cpu time spent up to now is 376.1 secs Computing kpt #: 130 total cpu time spent up to now is 378.7 secs Computing kpt #: 131 total cpu time spent up to now is 381.4 secs Computing kpt #: 132 total cpu time spent up to now is 384.0 secs Computing kpt #: 133 total cpu time spent up to now is 386.7 secs Computing kpt #: 134 total cpu time spent up to now is 389.4 secs Computing kpt #: 135 total cpu time spent up to now is 392.1 secs Computing kpt #: 136 total cpu time spent up to now is 394.7 secs Computing kpt #: 137 total cpu time spent up to now is 397.4 secs Computing kpt #: 138 total cpu time spent up to now is 400.1 secs Computing kpt #: 139 total cpu time spent up to now is 402.6 secs Computing kpt #: 140 total cpu time spent up to now is 405.0 secs Computing kpt #: 141 total cpu time spent up to now is 407.3 secs Computing kpt #: 142 total cpu time spent up to now is 409.7 secs Computing kpt #: 143 total cpu time spent up to now is 412.1 secs Computing kpt #: 144 total cpu time spent up to now is 414.6 secs Computing kpt #: 145 total cpu time spent up to now is 417.0 secs Computing kpt #: 146 total cpu time spent up to now is 419.4 secs Computing kpt #: 147 total cpu time spent up to now is 421.7 secs Computing kpt #: 148 total cpu time spent up to now is 424.0 secs Computing kpt #: 149 total cpu time spent up to now is 426.3 secs Computing kpt #: 150 total cpu time spent up to now is 428.7 secs Computing kpt #: 151 total cpu time spent up to now is 431.0 secs Computing kpt #: 152 total cpu time spent up to now is 433.3 secs Computing kpt #: 153 total cpu time spent up to now is 435.5 secs Computing kpt #: 154 total cpu time spent up to now is 437.8 secs Computing kpt #: 155 total cpu time spent up to now is 440.4 secs Computing kpt #: 156 total cpu time spent up to now is 442.9 secs Computing kpt #: 157 total cpu time spent up to now is 445.6 secs Computing kpt #: 158 total cpu time spent up to now is 448.3 secs Computing kpt #: 159 total cpu time spent up to now is 451.0 secs Computing kpt #: 160 total cpu time spent up to now is 453.8 secs Computing kpt #: 161 total cpu time spent up to now is 456.5 secs Computing kpt #: 162 total cpu time spent up to now is 459.2 secs Computing kpt #: 163 total cpu time spent up to now is 461.8 secs Computing kpt #: 164 total cpu time spent up to now is 464.6 secs Computing kpt #: 165 total cpu time spent up to now is 467.1 secs Computing kpt #: 166 total cpu time spent up to now is 469.8 secs Computing kpt #: 167 total cpu time spent up to now is 472.4 secs Computing kpt #: 168 total cpu time spent up to now is 474.9 secs Computing kpt #: 169 total cpu time spent up to now is 477.5 secs Computing kpt #: 170 total cpu time spent up to now is 480.3 secs Computing kpt #: 171 total cpu time spent up to now is 483.0 secs Computing kpt #: 172 total cpu time spent up to now is 487.4 secs Computing kpt #: 173 total cpu time spent up to now is 491.0 secs Computing kpt #: 174 total cpu time spent up to now is 493.6 secs Computing kpt #: 175 total cpu time spent up to now is 496.2 secs Computing kpt #: 176 total cpu time spent up to now is 498.9 secs Computing kpt #: 177 total cpu time spent up to now is 501.6 secs Computing kpt #: 178 total cpu time spent up to now is 504.2 secs Computing kpt #: 179 total cpu time spent up to now is 506.9 secs Computing kpt #: 180 total cpu time spent up to now is 509.5 secs Computing kpt #: 181 total cpu time spent up to now is 512.1 secs Computing kpt #: 182 total cpu time spent up to now is 514.7 secs Computing kpt #: 183 total cpu time spent up to now is 517.3 secs Computing kpt #: 184 total cpu time spent up to now is 519.9 secs Computing kpt #: 185 total cpu time spent up to now is 522.5 secs Computing kpt #: 186 total cpu time spent up to now is 525.1 secs Computing kpt #: 187 total cpu time spent up to now is 527.6 secs Computing kpt #: 188 total cpu time spent up to now is 530.1 secs Computing kpt #: 189 total cpu time spent up to now is 532.6 secs Computing kpt #: 190 total cpu time spent up to now is 535.1 secs Computing kpt #: 191 total cpu time spent up to now is 537.7 secs Computing kpt #: 192 total cpu time spent up to now is 540.1 secs Computing kpt #: 193 total cpu time spent up to now is 542.6 secs Computing kpt #: 194 total cpu time spent up to now is 545.1 secs Computing kpt #: 195 total cpu time spent up to now is 547.6 secs Computing kpt #: 196 total cpu time spent up to now is 550.1 secs Computing kpt #: 197 total cpu time spent up to now is 552.6 secs Computing kpt #: 198 total cpu time spent up to now is 555.1 secs Computing kpt #: 199 total cpu time spent up to now is 557.5 secs Computing kpt #: 200 total cpu time spent up to now is 560.0 secs Computing kpt #: 201 total cpu time spent up to now is 562.5 secs Computing kpt #: 202 total cpu time spent up to now is 565.1 secs Computing kpt #: 203 total cpu time spent up to now is 567.6 secs Computing kpt #: 204 total cpu time spent up to now is 570.2 secs Computing kpt #: 205 total cpu time spent up to now is 572.9 secs Computing kpt #: 206 total cpu time spent up to now is 575.5 secs Computing kpt #: 207 total cpu time spent up to now is 578.2 secs Computing kpt #: 208 total cpu time spent up to now is 580.9 secs Computing kpt #: 209 total cpu time spent up to now is 583.6 secs Computing kpt #: 210 total cpu time spent up to now is 586.4 secs Computing kpt #: 211 total cpu time spent up to now is 589.1 secs Computing kpt #: 212 total cpu time spent up to now is 591.7 secs Computing kpt #: 213 total cpu time spent up to now is 594.4 secs Computing kpt #: 214 total cpu time spent up to now is 597.0 secs Computing kpt #: 215 total cpu time spent up to now is 599.6 secs Computing kpt #: 216 total cpu time spent up to now is 602.2 secs Computing kpt #: 217 total cpu time spent up to now is 604.7 secs Computing kpt #: 218 total cpu time spent up to now is 607.3 secs Computing kpt #: 219 total cpu time spent up to now is 609.8 secs Computing kpt #: 220 total cpu time spent up to now is 612.4 secs Computing kpt #: 221 total cpu time spent up to now is 614.9 secs Computing kpt #: 222 total cpu time spent up to now is 617.4 secs Computing kpt #: 223 total cpu time spent up to now is 619.9 secs Computing kpt #: 224 total cpu time spent up to now is 622.5 secs Computing kpt #: 225 total cpu time spent up to now is 625.1 secs Computing kpt #: 226 total cpu time spent up to now is 627.6 secs Computing kpt #: 227 total cpu time spent up to now is 630.2 secs Computing kpt #: 228 total cpu time spent up to now is 632.9 secs Computing kpt #: 229 total cpu time spent up to now is 635.4 secs Computing kpt #: 230 total cpu time spent up to now is 638.1 secs Computing kpt #: 231 total cpu time spent up to now is 640.6 secs Computing kpt #: 232 total cpu time spent up to now is 643.2 secs Computing kpt #: 233 total cpu time spent up to now is 645.8 secs Computing kpt #: 234 total cpu time spent up to now is 648.4 secs Computing kpt #: 235 total cpu time spent up to now is 651.0 secs Computing kpt #: 236 total cpu time spent up to now is 653.6 secs Computing kpt #: 237 total cpu time spent up to now is 656.3 secs Computing kpt #: 238 total cpu time spent up to now is 659.1 secs Computing kpt #: 239 total cpu time spent up to now is 661.8 secs Computing kpt #: 240 total cpu time spent up to now is 664.4 secs Computing kpt #: 241 total cpu time spent up to now is 667.0 secs Computing kpt #: 242 total cpu time spent up to now is 669.6 secs Computing kpt #: 243 total cpu time spent up to now is 672.2 secs Computing kpt #: 244 total cpu time spent up to now is 674.9 secs Computing kpt #: 245 total cpu time spent up to now is 677.4 secs Computing kpt #: 246 total cpu time spent up to now is 680.1 secs Computing kpt #: 247 total cpu time spent up to now is 682.6 secs Computing kpt #: 248 total cpu time spent up to now is 685.2 secs Computing kpt #: 249 total cpu time spent up to now is 687.7 secs Computing kpt #: 250 total cpu time spent up to now is 690.2 secs Computing kpt #: 251 total cpu time spent up to now is 692.7 secs Computing kpt #: 252 total cpu time spent up to now is 695.2 secs Computing kpt #: 253 total cpu time spent up to now is 697.7 secs Computing kpt #: 254 total cpu time spent up to now is 700.1 secs Computing kpt #: 255 total cpu time spent up to now is 702.6 secs Computing kpt #: 256 total cpu time spent up to now is 705.1 secs Computing kpt #: 257 total cpu time spent up to now is 707.6 secs Computing kpt #: 258 total cpu time spent up to now is 710.0 secs Computing kpt #: 259 total cpu time spent up to now is 712.4 secs Computing kpt #: 260 total cpu time spent up to now is 714.9 secs Computing kpt #: 261 total cpu time spent up to now is 717.4 secs Computing kpt #: 262 total cpu time spent up to now is 719.9 secs Computing kpt #: 263 total cpu time spent up to now is 722.4 secs Computing kpt #: 264 total cpu time spent up to now is 724.9 secs Computing kpt #: 265 total cpu time spent up to now is 727.6 secs Computing kpt #: 266 total cpu time spent up to now is 730.4 secs Computing kpt #: 267 total cpu time spent up to now is 733.1 secs Computing kpt #: 268 total cpu time spent up to now is 735.8 secs Computing kpt #: 269 total cpu time spent up to now is 738.6 secs Computing kpt #: 270 total cpu time spent up to now is 741.4 secs Computing kpt #: 271 total cpu time spent up to now is 744.3 secs Computing kpt #: 272 total cpu time spent up to now is 747.0 secs Computing kpt #: 273 total cpu time spent up to now is 749.8 secs Computing kpt #: 274 total cpu time spent up to now is 752.6 secs Computing kpt #: 275 total cpu time spent up to now is 755.4 secs Computing kpt #: 276 total cpu time spent up to now is 758.2 secs Computing kpt #: 277 total cpu time spent up to now is 761.1 secs Computing kpt #: 278 total cpu time spent up to now is 764.1 secs Computing kpt #: 279 total cpu time spent up to now is 766.9 secs Computing kpt #: 280 total cpu time spent up to now is 769.8 secs Computing kpt #: 281 total cpu time spent up to now is 772.4 secs Computing kpt #: 282 total cpu time spent up to now is 775.0 secs Computing kpt #: 283 total cpu time spent up to now is 777.6 secs Computing kpt #: 284 total cpu time spent up to now is 780.2 secs Computing kpt #: 285 total cpu time spent up to now is 782.8 secs Computing kpt #: 286 total cpu time spent up to now is 786.4 secs Computing kpt #: 287 total cpu time spent up to now is 790.6 secs Computing kpt #: 288 total cpu time spent up to now is 793.4 secs Computing kpt #: 289 total cpu time spent up to now is 796.0 secs Computing kpt #: 290 total cpu time spent up to now is 798.7 secs Computing kpt #: 291 total cpu time spent up to now is 801.3 secs Computing kpt #: 292 total cpu time spent up to now is 803.8 secs Computing kpt #: 293 total cpu time spent up to now is 806.5 secs Computing kpt #: 294 total cpu time spent up to now is 809.0 secs Computing kpt #: 295 total cpu time spent up to now is 811.5 secs Computing kpt #: 296 total cpu time spent up to now is 814.0 secs Computing kpt #: 297 total cpu time spent up to now is 816.6 secs Computing kpt #: 298 total cpu time spent up to now is 819.1 secs Computing kpt #: 299 total cpu time spent up to now is 821.6 secs Computing kpt #: 300 total cpu time spent up to now is 824.4 secs Computing kpt #: 301 total cpu time spent up to now is 826.9 secs Computing kpt #: 302 total cpu time spent up to now is 829.5 secs Computing kpt #: 303 total cpu time spent up to now is 832.1 secs Computing kpt #: 304 total cpu time spent up to now is 834.7 secs Computing kpt #: 305 total cpu time spent up to now is 837.5 secs Computing kpt #: 306 total cpu time spent up to now is 840.1 secs Computing kpt #: 307 total cpu time spent up to now is 842.8 secs Computing kpt #: 308 total cpu time spent up to now is 845.5 secs Computing kpt #: 309 total cpu time spent up to now is 848.3 secs Computing kpt #: 310 total cpu time spent up to now is 851.0 secs Computing kpt #: 311 total cpu time spent up to now is 853.7 secs Computing kpt #: 312 total cpu time spent up to now is 856.3 secs Computing kpt #: 313 total cpu time spent up to now is 859.0 secs Computing kpt #: 314 total cpu time spent up to now is 861.6 secs Computing kpt #: 315 total cpu time spent up to now is 864.2 secs Computing kpt #: 316 total cpu time spent up to now is 866.8 secs Computing kpt #: 317 total cpu time spent up to now is 869.4 secs Computing kpt #: 318 total cpu time spent up to now is 872.2 secs Computing kpt #: 319 total cpu time spent up to now is 874.9 secs Computing kpt #: 320 total cpu time spent up to now is 877.6 secs Computing kpt #: 321 total cpu time spent up to now is 880.3 secs Computing kpt #: 322 total cpu time spent up to now is 883.0 secs Computing kpt #: 323 total cpu time spent up to now is 885.7 secs Computing kpt #: 324 total cpu time spent up to now is 888.5 secs Computing kpt #: 325 total cpu time spent up to now is 891.3 secs Computing kpt #: 326 total cpu time spent up to now is 894.1 secs Computing kpt #: 327 total cpu time spent up to now is 896.8 secs Computing kpt #: 328 total cpu time spent up to now is 899.6 secs Computing kpt #: 329 total cpu time spent up to now is 902.4 secs Computing kpt #: 330 total cpu time spent up to now is 905.1 secs Computing kpt #: 331 total cpu time spent up to now is 907.9 secs Computing kpt #: 332 total cpu time spent up to now is 910.5 secs Computing kpt #: 333 total cpu time spent up to now is 913.3 secs Computing kpt #: 334 total cpu time spent up to now is 915.9 secs Computing kpt #: 335 total cpu time spent up to now is 918.5 secs Computing kpt #: 336 total cpu time spent up to now is 921.1 secs Computing kpt #: 337 total cpu time spent up to now is 923.3 secs ethr = 2.27E-11, avg # of iterations = 24.7 total cpu time spent up to now is 923.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5601 PWs) bands (ev): -7.3484 -7.3484 -5.2169 -5.2169 -4.8678 -4.8678 -1.6596 -1.6596 1.4299 1.4299 1.8044 1.8044 1.9556 1.9556 2.1384 2.1384 3.0339 3.0339 3.1944 3.1944 3.2538 3.2538 3.4119 3.4119 3.9719 3.9719 4.0503 4.0503 4.1076 4.1076 4.1572 4.1572 4.2278 4.2278 4.2894 4.2894 5.3739 5.3739 5.4655 5.4655 6.0990 6.0990 6.6068 6.6068 6.7622 6.7622 7.8744 7.8744 9.3156 9.3156 9.3781 9.3781 k =-0.0066 0.0115 0.0187 ( 5609 PWs) bands (ev): -7.3474 -7.3471 -5.2169 -5.2164 -4.8675 -4.8673 -1.6642 -1.6578 1.4294 1.4311 1.7902 1.8152 1.9530 1.9571 2.1343 2.1374 3.0317 3.0346 3.1898 3.1977 3.2522 3.2550 3.4100 3.4129 3.9697 3.9734 4.0492 4.0507 4.1071 4.1078 4.1513 4.1644 4.2242 4.2323 4.2860 4.2917 5.3675 5.3740 5.4635 5.4830 6.0812 6.1113 6.5956 6.6097 6.7520 6.7624 7.8726 7.8866 9.3141 9.3179 9.3780 9.3780 k =-0.0132 0.0230 0.0373 ( 5611 PWs) bands (ev): -7.3439 -7.3433 -5.2162 -5.2152 -4.8666 -4.8662 -1.6714 -1.6587 1.4295 1.4331 1.7721 1.8222 1.9493 1.9575 2.1253 2.1322 3.0281 3.0335 3.1844 3.1991 3.2503 3.2559 3.4073 3.4131 3.9668 3.9742 4.0479 4.0499 4.1066 4.1074 4.1478 4.1719 4.2215 4.2373 4.2819 4.2931 5.3547 5.3664 5.4774 5.5162 6.0578 6.1184 6.5741 6.6059 6.7350 6.7519 7.8803 7.9088 9.3133 9.3214 9.3776 9.3777 k =-0.0198 0.0345 0.0560 ( 5619 PWs) bands (ev): -7.3380 -7.3372 -5.2150 -5.2135 -4.8650 -4.8644 -1.6814 -1.6624 1.4297 1.4361 1.7499 1.8250 1.9447 1.9566 2.1124 2.1245 3.0232 3.0303 3.1786 3.1984 3.2482 3.2564 3.4037 3.4124 3.9637 3.9744 4.0464 4.0475 4.1062 4.1063 4.1472 4.1791 4.2199 4.2422 4.2775 4.2936 5.3347 5.3506 5.5071 5.5632 6.0286 6.1211 6.5418 6.5969 6.7151 6.7319 7.8959 7.9391 9.3131 9.3266 9.3766 9.3772 k =-0.0265 0.0460 0.0747 ( 5619 PWs) bands (ev): -7.3297 -7.3286 -5.2132 -5.2112 -4.8627 -4.8620 -1.6941 -1.6690 1.4292 1.4399 1.7239 1.8222 1.9391 1.9547 2.0981 2.1160 3.0171 3.0246 3.1732 3.1954 3.2462 3.2566 3.3992 3.4110 3.9605 3.9744 4.0431 4.0448 4.1044 4.1060 4.1494 4.1852 4.2194 4.2458 4.2740 4.2933 5.3078 5.3271 5.5500 5.6190 5.9944 6.1202 6.5010 6.5839 6.6954 6.7059 7.9172 7.9753 9.3139 9.3339 9.3750 9.3762 k =-0.0331 0.0575 0.0933 ( 5607 PWs) bands (ev): -7.3189 -7.3176 -5.2109 -5.2084 -4.8598 -4.8589 -1.7096 -1.6786 1.4269 1.4444 1.6950 1.8116 1.9327 1.9528 2.0850 2.1084 3.0097 3.0163 3.1684 3.1902 3.2444 3.2567 3.3937 3.4088 3.9574 3.9745 4.0367 4.0432 4.1027 4.1058 4.1534 4.1903 4.2196 4.2458 4.2735 4.2922 5.2753 5.2972 5.6009 5.6757 5.9563 6.1170 6.4573 6.5677 6.6781 6.6788 7.9421 8.0149 9.3164 9.3436 9.3726 9.3744 k =-0.0397 0.0690 0.1120 ( 5603 PWs) bands (ev): -7.3058 -7.3043 -5.2081 -5.2052 -4.8563 -4.8552 -1.7280 -1.6913 1.4207 1.4495 1.6656 1.7917 1.9259 1.9520 2.0751 2.1025 3.0008 3.0053 3.1644 3.1829 3.2428 3.2565 3.3874 3.4060 3.9546 3.9748 4.0284 4.0414 4.1012 4.1056 4.1585 4.1945 4.2201 4.2413 4.2766 4.2906 5.2384 5.2618 5.6508 5.7222 5.9178 6.1119 6.4199 6.5489 6.6566 6.6655 7.9693 8.0561 9.3208 9.3546 9.3705 9.3715 k =-0.0463 0.0805 0.1307 ( 5597 PWs) bands (ev): -7.2904 -7.2885 -5.2050 -5.2016 -4.8522 -4.8509 -1.7492 -1.7071 1.4081 1.4546 1.6395 1.7626 1.9189 1.9535 2.0691 2.0987 2.9905 2.9916 3.1612 3.1741 3.2413 3.2560 3.3802 3.4025 3.9521 3.9753 4.0185 4.0394 4.1001 4.1053 4.1642 4.1979 4.2205 4.2337 4.2820 4.2887 5.1984 5.2223 5.6844 5.7464 5.8866 6.1011 6.4002 6.5282 6.6474 6.6629 7.9977 8.0972 9.3277 9.3578 9.3674 9.3774 k =-0.0529 0.0920 0.1493 ( 5593 PWs) bands (ev): -7.2725 -7.2704 -5.2016 -5.1977 -4.8476 -4.8461 -1.7734 -1.7263 1.3864 1.4594 1.6206 1.7268 1.9117 1.9573 2.0665 2.0971 2.9754 2.9786 3.1586 3.1640 3.2398 3.2553 3.3721 3.3985 3.9498 3.9763 4.0071 4.0373 4.0993 4.1051 4.1702 4.2007 4.2204 4.2246 4.2868 4.2882 5.1565 5.1797 5.6833 5.7420 5.8722 6.0768 6.4024 6.5065 6.6594 6.6804 8.0269 8.1375 9.3361 9.3512 9.3628 9.3952 k =-0.0595 0.1035 0.1680 ( 5591 PWs) bands (ev): -7.2523 -7.2500 -5.1979 -5.1936 -4.8425 -4.8408 -1.8006 -1.7489 1.3553 1.4627 1.6109 1.6879 1.9044 1.9632 2.0665 2.0971 2.9570 2.9649 3.1529 3.1565 3.2382 3.2542 3.3631 3.3940 3.9478 3.9775 3.9944 4.0349 4.0987 4.1047 4.1762 4.2025 4.2149 4.2203 4.2852 4.2946 5.1137 5.1352 5.6477 5.7117 5.8664 6.0368 6.4123 6.4843 6.7002 6.7318 8.0572 8.1767 9.3401 9.3408 9.3634 9.4173 k =-0.0661 0.1150 0.1866 ( 5587 PWs) bands (ev): -7.2298 -7.2273 -5.1942 -5.1894 -4.8369 -4.8351 -1.8308 -1.7749 1.3169 1.4630 1.6098 1.6498 1.8970 1.9705 2.0682 2.0985 2.9365 2.9497 3.1410 3.1546 3.2364 3.2528 3.3533 3.3891 3.9459 3.9783 3.9814 4.0324 4.0983 4.1043 4.1816 4.2022 4.2055 4.2211 4.2840 4.3012 5.0710 5.0898 5.5935 5.6627 5.8507 5.9854 6.4137 6.4617 6.7723 6.8213 8.0893 8.2151 9.3270 9.3319 9.3766 9.4426 k =-0.0727 0.1265 0.2053 ( 5591 PWs) bands (ev): -7.2050 -7.2022 -5.1905 -5.1852 -4.8309 -4.8290 -1.8640 -1.8045 1.2746 1.4575 1.6152 1.6173 1.8892 1.9789 2.0709 2.1009 2.9142 2.9328 3.1284 3.1526 3.2342 3.2510 3.3428 3.3840 3.9441 3.9656 3.9813 4.0297 4.0980 4.1039 4.1833 4.1992 4.1999 4.2238 4.2834 4.3078 5.0293 5.0444 5.5309 5.6017 5.8183 5.9267 6.4044 6.4385 6.8719 6.9396 8.1243 8.2534 9.3094 9.3167 9.3965 9.4710 k =-0.0794 0.1380 0.2240 ( 5597 PWs) bands (ev): -7.1780 -7.1749 -5.1870 -5.1812 -4.8247 -4.8225 -1.9000 -1.8375 1.2314 1.4435 1.5945 1.6251 1.8809 1.9882 2.0741 2.1037 2.8904 2.9144 3.1152 3.1505 3.2314 3.2486 3.3320 3.3790 3.9423 3.9502 3.9832 4.0269 4.0978 4.1035 4.1769 4.1938 4.2024 4.2282 4.2835 4.3146 4.9890 4.9997 5.4645 5.5337 5.7710 5.8630 6.3882 6.4145 6.9917 7.0740 8.1642 8.2931 9.2877 9.2965 9.4205 9.5020 k =-0.0860 0.1495 0.2426 ( 5599 PWs) bands (ev): -7.1487 -7.1454 -5.1839 -5.1776 -4.8181 -4.8159 -1.9387 -1.8738 1.1897 1.4207 1.5825 1.6382 1.8721 1.9981 2.0773 2.1068 2.8653 2.8949 3.1011 3.1478 3.2280 3.2459 3.3211 3.3740 3.9345 3.9403 3.9853 4.0241 4.0976 4.1030 4.1674 4.1867 4.2086 4.2338 4.2843 4.3216 4.9506 4.9563 5.3967 5.4622 5.7129 5.7956 6.3680 6.3897 7.1237 7.2146 8.2120 8.3361 9.2612 9.2712 9.4478 9.5355 k =-0.0926 0.1610 0.2613 ( 5607 PWs) bands (ev): -7.1171 -7.1136 -5.1812 -5.1745 -4.8114 -4.8090 -1.9800 -1.9133 1.1508 1.3929 1.5783 1.6534 1.8628 2.0086 2.0803 2.1097 2.8392 2.8744 3.0861 3.1445 3.2237 3.2427 3.3104 3.3694 3.9188 3.9382 3.9874 4.0214 4.0975 4.1026 4.1575 4.1787 4.2158 4.2400 4.2859 4.3290 4.9144 4.9147 5.3289 5.3898 5.6476 5.7252 6.3453 6.3638 7.2604 7.3526 8.2716 8.3851 9.2297 9.2406 9.4781 9.5711 k =-0.0992 0.1725 0.2800 ( 5607 PWs) bands (ev): -7.0835 -7.0797 -5.1793 -5.1721 -4.8045 -4.8021 -2.0236 -1.9557 1.1161 1.3639 1.5784 1.6698 1.8530 2.0192 2.0829 2.1122 2.8125 2.8534 3.0700 3.1405 3.2184 3.2391 3.3005 3.3652 3.9035 3.9358 3.9893 4.0188 4.0974 4.1023 4.1481 4.1702 4.2234 4.2465 4.2886 4.3369 4.8752 4.8804 5.2621 5.3180 5.5778 5.6528 6.3209 6.3369 7.3948 7.4802 8.3479 8.4437 9.1928 9.2044 9.5108 9.6086 k =-0.1058 0.1840 0.2986 ( 5611 PWs) bands (ev): -7.0477 -7.0437 -5.1782 -5.1706 -4.7977 -4.7951 -2.0691 -2.0007 1.0860 1.3367 1.5800 1.6863 1.8430 2.0296 2.0853 2.1139 2.7853 2.8323 3.0528 3.1355 3.2120 3.2353 3.2916 3.3616 3.8889 3.9331 3.9910 4.0164 4.0972 4.1020 4.1393 4.1615 4.2311 4.2528 4.2927 4.3454 4.8380 4.8487 5.1971 5.2481 5.5056 5.5790 6.2950 6.3089 7.5200 7.5903 8.4451 8.5158 9.1505 9.1624 9.5457 9.6477 k =-0.1124 0.1955 0.3173 ( 5615 PWs) bands (ev): -7.0098 -7.0056 -5.1783 -5.1703 -4.7909 -4.7882 -2.1161 -2.0478 1.0611 1.3126 1.5816 1.7018 1.8337 2.0386 2.0882 2.1147 2.7581 2.8113 3.0342 3.1294 3.2047 3.2313 3.2841 3.3587 3.8755 3.9301 3.9922 4.0144 4.0967 4.1017 4.1316 4.1531 4.2388 4.2582 4.2987 4.3548 4.8032 4.8191 5.1344 5.1810 5.4325 5.5047 6.2679 6.2798 7.6296 7.6790 8.5646 8.6052 9.1033 9.1147 9.5823 9.6878 k =-0.1190 0.2070 0.3360 ( 5611 PWs) bands (ev): -6.9699 -6.9655 -5.1798 -5.1714 -4.7842 -4.7815 -2.1643 -2.0966 1.0416 1.2925 1.5822 1.7144 1.8264 2.0442 2.0936 2.1145 2.7310 2.7908 3.0144 3.1223 3.1966 3.2273 3.2781 3.3566 3.8634 3.9267 3.9930 4.0128 4.0957 4.1016 4.1254 4.1451 4.2465 4.2624 4.3071 4.3652 4.7708 4.7917 5.0745 5.1172 5.3595 5.4306 6.2396 6.2495 7.7195 7.7464 8.7022 8.7133 9.0526 9.0615 9.6202 9.7286 k =-0.1256 0.2185 0.3546 ( 5615 PWs) bands (ev): -6.9280 -6.9235 -5.1829 -5.1741 -4.7778 -4.7751 -2.2131 -2.1466 1.0274 1.2768 1.5813 1.7214 1.8232 2.0443 2.1031 2.1135 2.7044 2.7710 2.9934 3.1140 3.1883 3.2235 3.2733 3.3553 3.8530 3.9230 3.9931 4.0116 4.0939 4.1016 4.1211 4.1377 4.2538 4.2653 4.3178 4.3768 4.7408 4.7661 5.0175 5.0571 5.2878 5.3575 6.2102 6.2181 7.7885 7.7954 8.8378 8.8430 9.0036 9.0074 9.6592 9.7695 k =-0.1323 0.2300 0.3733 ( 5611 PWs) bands (ev): -6.8842 -6.8795 -5.1878 -5.1787 -4.7717 -4.7689 -2.2621 -2.1971 1.0186 1.2655 1.5784 1.7208 1.8254 2.0390 2.1119 2.1169 2.6784 2.7518 2.9715 3.1048 3.1802 3.2198 3.2698 3.3549 3.8443 3.9191 3.9925 4.0110 4.0912 4.1017 4.1189 4.1311 4.2608 4.2670 4.3304 4.3898 4.7132 4.7422 4.9639 5.0011 5.2180 5.2858 6.1796 6.1856 7.8302 7.8384 8.8936 8.9344 8.9798 9.0526 9.6990 9.8102 k =-0.1389 0.2415 0.3920 ( 5619 PWs) bands (ev): -6.8386 -6.8337 -5.1948 -5.1854 -4.7660 -4.7633 -2.3105 -2.2476 1.0148 1.2586 1.5736 1.7132 1.8317 2.0293 2.1106 2.1338 2.6528 2.7330 2.9491 3.0946 3.1726 3.2163 3.2672 3.3554 3.8374 3.9150 3.9911 4.0110 4.0879 4.1018 4.1184 4.1255 4.2673 4.2679 4.3443 4.4042 4.6880 4.7198 4.9138 4.9493 5.1507 5.2164 6.1480 6.1520 7.8540 7.8723 8.8411 8.8715 9.1131 9.1907 9.7399 9.8500 k =-0.1455 0.2530 0.4106 ( 5623 PWs) bands (ev): -6.7912 -6.7862 -5.2042 -5.1945 -4.7609 -4.7582 -2.3580 -2.2974 1.0159 1.2559 1.5667 1.7010 1.8391 2.0162 2.1106 2.1529 2.6276 2.7137 2.9272 3.0839 3.1660 3.2131 3.2655 3.3567 3.8323 3.9107 3.9890 4.0116 4.0847 4.1021 4.1193 4.1210 4.2679 4.2732 4.3592 4.4202 4.6654 4.6988 4.8672 4.9018 5.0866 5.1496 6.1154 6.1175 7.8695 7.8933 8.7737 8.8017 9.2389 9.3199 9.7818 9.8875 k =-0.1521 0.2645 0.4293 ( 5607 PWs) bands (ev): -6.7422 -6.7370 -5.2162 -5.2063 -4.7564 -4.7537 -2.4039 -2.3460 1.0214 1.2569 1.5580 1.6861 1.8445 2.0004 2.1133 2.1738 2.6023 2.6931 2.9068 3.0730 3.1604 3.2101 3.2647 3.3588 3.8291 3.9063 3.9863 4.0129 4.0817 4.1025 4.1179 4.1211 4.2672 4.2785 4.3744 4.4377 4.6459 4.6790 4.8244 4.8587 5.0260 5.0861 6.0818 6.0819 7.8783 7.9043 8.7018 8.7294 9.3394 9.4140 9.8230 9.9189 k =-0.1587 0.2760 0.4480 ( 5603 PWs) bands (ev): -6.6916 -6.6862 -5.2310 -5.2210 -4.7526 -4.7499 -2.4478 -2.3927 1.0309 1.2612 1.5479 1.6700 1.8458 1.9828 2.1198 2.1959 2.5763 2.6696 2.8892 3.0624 3.1559 3.2073 3.2646 3.3618 3.8277 3.9018 3.9829 4.0145 4.0791 4.1030 4.1160 4.1235 4.2657 4.2831 4.3891 4.4566 4.6298 4.6604 4.7854 4.8200 4.9691 5.0261 6.0456 6.0473 7.8818 7.9074 8.6275 8.6554 9.4025 9.4607 9.8580 9.9391 k =-0.1653 0.2875 0.4666 ( 5595 PWs) bands (ev): -6.6394 -6.6339 -5.2488 -5.2387 -4.7496 -4.7470 -2.4891 -2.4371 1.0440 1.2682 1.5368 1.6537 1.8424 1.9642 2.1308 2.2191 2.5491 2.6421 2.8755 3.0523 3.1524 3.2046 3.2653 3.3654 3.8279 3.8974 3.9792 4.0165 4.0771 4.1040 4.1154 4.1265 4.2634 4.2869 4.4019 4.4767 4.6183 4.6429 4.7505 4.7856 4.9162 4.9700 6.0085 6.0121 7.8806 7.9039 8.5520 8.5805 9.4253 9.4625 9.8809 9.9474 k =-0.1719 0.2990 0.4853 ( 5599 PWs) bands (ev): -6.5859 -6.5802 -5.2698 -5.2597 -4.7475 -4.7450 -2.5273 -2.4785 1.0600 1.2771 1.5253 1.6380 1.8345 1.9453 2.1462 2.2430 2.5200 2.6098 2.8664 3.0434 3.1498 3.2020 3.2669 3.3697 3.8297 3.8930 3.9753 4.0187 4.0755 4.1056 4.1160 4.1298 4.2601 4.2900 4.4114 4.4975 4.6127 4.6267 4.7198 4.7555 4.8672 4.9182 5.9708 5.9763 7.8755 7.8953 8.4763 8.5056 9.4143 9.4320 9.8918 9.9430 k =-0.1786 0.3105 0.5040 ( 5597 PWs) bands (ev): -6.5312 -6.5253 -5.2941 -5.2840 -4.7464 -4.7441 -2.5621 -2.5167 1.0785 1.2872 1.5140 1.6232 1.8233 1.9271 2.1654 2.2673 2.4884 2.5727 2.8619 3.0359 3.1479 3.1994 3.2693 3.3744 3.8328 3.8887 3.9714 4.0209 4.0743 4.1079 4.1180 4.1333 4.2559 4.2923 4.4162 4.5180 4.6123 4.6141 4.6938 4.7297 4.8223 4.8708 5.9327 5.9399 7.8668 7.8822 8.4010 8.4313 9.3793 9.3819 9.8940 9.9024 k =-0.1852 0.3220 0.5226 ( 5597 PWs) bands (ev): -6.4753 -6.4693 -5.3218 -5.3117 -4.7464 -4.7441 -2.5931 -2.5511 1.0987 1.2973 1.5036 1.6098 1.8105 1.9106 2.1875 2.2917 2.4539 2.5312 2.8613 3.0301 3.1466 3.1968 3.2724 3.3796 3.8372 3.8844 3.9677 4.0228 4.0735 4.1106 4.1216 4.1371 4.2508 4.2937 4.4158 4.5358 4.6011 4.6224 4.6736 4.7085 4.7814 4.8280 5.8943 5.9031 7.8551 7.8655 8.3269 8.3582 9.3210 9.3292 9.8289 9.8875 k =-0.1918 0.3335 0.5413 ( 5589 PWs) bands (ev): -6.4184 -6.4123 -5.3529 -5.3429 -4.7475 -4.7454 -2.6200 -2.5816 1.1201 1.3066 1.4947 1.5980 1.7977 1.8969 2.2113 2.3158 2.4165 2.4863 2.8642 3.0261 3.1457 3.1943 3.2765 3.3850 3.8425 3.8801 3.9643 4.0246 4.0731 4.1132 4.1272 4.1411 4.2448 4.2944 4.4110 4.5455 4.5957 4.6349 4.6617 4.6932 4.7444 4.7901 5.8557 5.8662 7.8405 7.8459 8.2546 8.2868 9.2549 9.2705 9.7528 9.8415 k =-0.1984 0.3450 0.5599 ( 5587 PWs) bands (ev): -6.3607 -6.3545 -5.3874 -5.3775 -4.7498 -4.7478 -2.6427 -2.6079 1.1419 1.3139 1.4877 1.5877 1.7869 1.8868 2.2360 2.3394 2.3764 2.4389 2.8696 3.0239 3.1450 3.1918 3.2812 3.3905 3.8485 3.8759 3.9614 4.0261 4.0731 4.1156 4.1344 4.1451 4.2380 4.2944 4.4033 4.5440 4.5943 4.6430 4.6623 4.6906 4.7115 4.7575 5.8173 5.8291 7.8234 7.8237 8.1846 8.2178 9.1868 9.2076 9.6790 9.7659 k =-0.2050 0.3565 0.5786 ( 5579 PWs) bands (ev): -6.3024 -6.2961 -5.4251 -5.4154 -4.7533 -4.7516 -2.6610 -2.6298 1.1636 1.3187 1.4828 1.5787 1.7797 1.8811 2.2594 2.3351 2.3619 2.3903 2.8769 3.0232 3.1446 3.1895 3.2866 3.3960 3.8549 3.8718 3.9588 4.0275 4.0736 4.1179 4.1425 4.1493 4.2309 4.2938 4.3943 4.5363 4.5906 4.6377 4.6712 4.6883 4.7073 4.7307 5.7790 5.7922 7.7996 7.8042 8.1176 8.1516 9.1189 9.1434 9.6085 9.6918 k =-0.2116 0.3680 0.5973 ( 5575 PWs) bands (ev): -6.2436 -6.2372 -5.4658 -5.4563 -4.7582 -4.7566 -2.6747 -2.6472 1.1847 1.3207 1.4798 1.5704 1.7778 1.8801 2.2659 2.3080 2.3402 2.3845 2.8856 3.0238 3.1445 3.1876 3.2926 3.4014 3.8614 3.8677 3.9567 4.0288 4.0748 4.1202 4.1503 4.1535 4.2241 4.2927 4.3855 4.5271 4.5844 4.6254 4.6526 4.7052 4.7101 4.7345 5.7412 5.7556 7.7740 7.7830 8.0541 8.0886 9.0527 9.0800 9.5419 9.6215 k =-0.2182 0.3794 0.6159 ( 5575 PWs) bands (ev): -6.1846 -6.1781 -5.5094 -5.5001 -4.7643 -4.7629 -2.6840 -2.6601 1.2047 1.3201 1.4782 1.5627 1.7825 1.8836 2.2281 2.2923 2.3227 2.4047 2.8953 3.0252 3.1447 3.1862 3.2991 3.4065 3.8637 3.8677 3.9549 4.0301 4.0766 4.1225 4.1562 4.1577 4.2183 4.2914 4.3784 4.5180 4.5771 4.6106 4.6317 4.6959 4.7333 4.7662 5.7040 5.7193 7.7473 7.7601 7.9945 8.0293 8.9893 9.0189 9.4795 9.5556 k =-0.2248 0.3909 0.6346 ( 5567 PWs) bands (ev): -6.1257 -6.1192 -5.5554 -5.5464 -4.7718 -4.7706 -2.6888 -2.6686 1.2236 1.3176 1.4775 1.5553 1.7943 1.8902 2.1790 2.2475 2.3460 2.4235 2.9054 3.0271 3.1453 3.1856 3.3059 3.4113 3.8598 3.8737 3.9530 4.0315 4.0792 4.1245 4.1588 4.1621 4.2144 4.2901 4.3743 4.5099 4.5682 4.5946 4.6164 4.6875 4.7643 4.8004 5.6676 5.6837 7.7198 7.7357 7.9394 7.9740 8.9295 8.9610 9.4216 9.4942 k =-0.2315 0.4024 0.6533 ( 5571 PWs) bands (ev): -6.0673 -6.0608 -5.6034 -5.5948 -4.7807 -4.7797 -2.6891 -2.6727 1.2413 1.3137 1.4777 1.5484 1.8132 1.8973 2.1273 2.2088 2.3697 2.4405 2.9158 3.0291 3.1463 3.1860 3.3130 3.4157 3.8560 3.8792 3.9509 4.0331 4.0826 4.1261 4.1576 4.1665 4.2119 4.2889 4.3746 4.5033 4.5564 4.5784 4.6081 4.6837 4.7966 4.8360 5.6322 5.6487 7.6920 7.7102 7.8893 7.9231 8.8741 8.9073 9.3685 9.4376 k =-0.2381 0.4139 0.6719 ( 5579 PWs) bands (ev): -6.0100 -6.0036 -5.6526 -5.6445 -4.7909 -4.7901 -2.6850 -2.6724 1.2580 1.3085 1.4787 1.5426 1.8386 1.9008 2.0746 2.1804 2.3924 2.4556 2.9261 3.0309 3.1478 3.1876 3.3203 3.4197 3.8524 3.8844 3.9481 4.0349 4.0866 4.1264 4.1543 4.1709 4.2092 4.2880 4.3802 4.4985 4.5424 4.5628 4.6062 4.6836 4.8294 4.8724 5.5980 5.6147 7.6641 7.6836 7.8446 7.8772 8.8234 8.8583 9.3203 9.3859 k =-0.2447 0.4254 0.6906 ( 5579 PWs) bands (ev): -5.9553 -5.9495 -5.7012 -5.6940 -4.8025 -4.8019 -2.6767 -2.6679 1.2740 1.3023 1.4811 1.5382 1.8692 1.8960 2.0219 2.1669 2.4137 2.4685 2.9362 3.0320 3.1500 3.1907 3.3277 3.4231 3.8491 3.8894 3.9446 4.0370 4.0912 4.1244 4.1516 4.1755 4.2051 4.2875 4.3913 4.4960 4.5280 4.5480 4.6086 4.6861 4.8624 4.9090 5.5653 5.5818 7.6363 7.6562 7.8060 7.8367 8.7781 8.8147 9.2773 9.3394 k =-0.2513 0.4369 0.7093 ( 5579 PWs) bands (ev): -5.9074 -5.9035 -5.7439 -5.7390 -4.8153 -4.8149 -2.6642 -2.6593 1.2894 1.2950 1.4852 1.5360 1.8809 1.9021 1.9719 2.1701 2.4332 2.4793 2.9461 3.0325 3.1527 3.1953 3.3352 3.4260 3.8461 3.8944 3.9401 4.0394 4.0959 4.1194 4.1511 4.1799 4.1990 4.2875 4.4074 4.4962 4.5142 4.5344 4.6140 4.6908 4.8949 4.9453 5.5342 5.5501 7.6085 7.6281 7.7738 7.8024 8.7384 8.7766 9.2395 9.2981 k =-0.2579 0.4484 0.7279 ( 5583 PWs) bands (ev): -5.8854 -5.8833 -5.7624 -5.7611 -4.8294 -4.8292 -2.6477 -2.6466 1.2860 1.3043 1.4915 1.5364 1.8578 1.9048 1.9566 2.1879 2.4506 2.4877 2.9556 3.0322 3.1559 3.2015 3.3428 3.4284 3.8436 3.8994 3.9347 4.0420 4.1004 4.1123 4.1527 4.1839 4.1914 4.2878 4.4274 4.4992 4.5016 4.5221 4.6215 4.6971 4.9266 4.9807 5.5051 5.5197 7.5807 7.5995 7.7488 7.7749 8.7046 8.7444 9.2073 9.2624 k =-0.2645 0.4599 0.7466 ( 5591 PWs) bands (ev): -5.9129 -5.9061 -5.7411 -5.7347 -4.8447 -4.8447 -2.6301 -2.6272 1.2751 1.3187 1.5004 1.5397 1.8310 1.8597 1.9938 2.2158 2.4657 2.4940 2.9648 3.0314 3.1596 3.2091 3.3505 3.4302 3.8416 3.9047 3.9285 4.0449 4.1043 4.1046 4.1552 4.1829 4.1877 4.2883 4.4502 4.4901 4.5057 4.5110 4.6307 4.7047 4.9570 5.0150 5.4781 5.4909 7.5528 7.5705 7.7313 7.7552 8.6768 8.7183 9.1808 9.2322 k =-0.2711 0.4714 0.7653 ( 5603 PWs) bands (ev): -5.9616 -5.9538 -5.6970 -5.6893 -4.8613 -4.8611 -2.6098 -2.6030 1.2618 1.3323 1.5121 1.5461 1.8044 1.8124 2.0377 2.2500 2.4783 2.4981 2.9739 3.0301 3.1635 3.2180 3.3581 3.4314 3.8403 3.9098 3.9222 4.0480 4.0966 4.1080 4.1582 4.1743 4.1907 4.2891 4.4745 4.4803 4.5018 4.5153 4.6412 4.7134 4.9858 5.0477 5.4536 5.4637 7.5247 7.5413 7.7219 7.7437 8.6549 8.6981 9.1601 9.2078 k =-0.2777 0.4829 0.7839 ( 5603 PWs) bands (ev): -6.0164 -6.0085 -5.6480 -5.6398 -4.8790 -4.8786 -2.5858 -2.5749 1.2457 1.3446 1.5267 1.5558 1.7678 1.7807 2.0838 2.2877 2.4882 2.5005 2.9829 3.0286 3.1675 3.2280 3.3660 3.4322 3.8398 3.9099 3.9210 4.0514 4.0891 4.1108 4.1600 4.1674 4.1930 4.2899 4.4721 4.4888 4.5052 4.5280 4.6529 4.7229 5.0125 5.0786 5.4319 5.4383 7.4968 7.5124 7.7207 7.7410 8.6389 8.6838 9.1454 9.1893 k =-0.2777 0.4829 0.7839 ( 5603 PWs) bands (ev): -6.0164 -6.0085 -5.6480 -5.6398 -4.8790 -4.8786 -2.5858 -2.5749 1.2457 1.3446 1.5267 1.5558 1.7678 1.7807 2.0838 2.2877 2.4882 2.5005 2.9829 3.0286 3.1675 3.2280 3.3660 3.4322 3.8398 3.9099 3.9210 4.0514 4.0891 4.1108 4.1600 4.1674 4.1930 4.2899 4.4721 4.4888 4.5052 4.5280 4.6529 4.7229 5.0125 5.0786 5.4319 5.4383 7.4968 7.5124 7.7207 7.7410 8.6389 8.6838 9.1454 9.1893 k =-0.2685 0.4668 0.7972 ( 5610 PWs) bands (ev): -6.0161 -6.0082 -5.6480 -5.6398 -4.8788 -4.8785 -2.5866 -2.5758 1.2421 1.3421 1.5247 1.5503 1.7730 1.7856 2.0865 2.2878 2.4881 2.5007 2.9837 3.0286 3.1669 3.2280 3.3654 3.4318 3.8402 3.9095 3.9220 4.0508 4.0892 4.1108 4.1592 4.1686 4.1926 4.2894 4.4740 4.4900 4.5049 4.5274 4.6523 4.7222 5.0109 5.0762 5.4325 5.4395 7.4965 7.5118 7.7250 7.7453 8.6432 8.6881 9.1512 9.1951 k =-0.2592 0.4506 0.8104 ( 5609 PWs) bands (ev): -6.0153 -6.0075 -5.6480 -5.6398 -4.8783 -4.8780 -2.5891 -2.5783 1.2314 1.3344 1.5198 1.5367 1.7858 1.7989 2.0948 2.2886 2.4879 2.5014 2.9858 3.0285 3.1650 3.2280 3.3639 3.4305 3.8417 3.9087 3.9247 4.0492 4.0896 4.1106 4.1578 4.1712 4.1917 4.2881 4.4794 4.4925 4.5051 4.5258 4.6505 4.7201 5.0063 5.0693 5.4344 5.4430 7.4958 7.5102 7.7378 7.7582 8.6559 8.7010 9.1685 9.2123 k =-0.2499 0.4345 0.8236 ( 5609 PWs) bands (ev): -6.0141 -6.0062 -5.6479 -5.6397 -4.8775 -4.8772 -2.5931 -2.5824 1.2143 1.3209 1.5138 1.5202 1.8007 1.8174 2.1096 2.2908 2.4877 2.5026 2.9892 3.0281 3.1619 3.2279 3.3615 3.4284 3.8440 3.9079 3.9286 4.0468 4.0899 4.1104 4.1564 4.1744 4.1902 4.2862 4.4869 4.4922 4.5096 4.5241 4.6478 4.7168 4.9991 5.0585 5.4373 5.4483 7.4950 7.5078 7.7591 7.7796 8.6760 8.7214 9.1971 9.2407 k =-0.2406 0.4183 0.8369 ( 5590 PWs) bands (ev): -6.0123 -6.0045 -5.6478 -5.6397 -4.8765 -4.8761 -2.5987 -2.5880 1.1918 1.3011 1.5050 1.5082 1.8132 1.8371 2.1315 2.2960 2.4878 2.5044 2.9933 3.0274 3.1575 3.2280 3.3583 3.4256 3.8472 3.9073 3.9335 4.0440 4.0901 4.1103 4.1554 4.1780 4.1881 4.2840 4.4878 4.4929 4.5196 4.5254 4.6446 4.7127 4.9898 5.0448 5.4410 5.4548 7.4946 7.5054 7.7888 7.8096 8.7023 8.7482 9.2365 9.2798 k =-0.2313 0.4022 0.8501 ( 5587 PWs) bands (ev): -6.0102 -6.0023 -5.6477 -5.6396 -4.8751 -4.8747 -2.6057 -2.5951 1.1651 1.2755 1.4934 1.5040 1.8207 1.8547 2.1602 2.3057 2.4884 2.5068 2.9978 3.0260 3.1519 3.2280 3.3544 3.4219 3.8511 3.9069 3.9391 4.0410 4.0899 4.1099 4.1548 4.1816 4.1856 4.2818 4.4810 4.4926 4.5327 4.5334 4.6415 4.7082 4.9791 5.0293 5.4453 5.4618 7.4951 7.5035 7.8267 7.8479 8.7329 8.7796 9.2859 9.3289 k =-0.2220 0.3860 0.8634 ( 5591 PWs) bands (ev): -6.0076 -5.9997 -5.6476 -5.6395 -4.8734 -4.8730 -2.6140 -2.6036 1.1354 1.2452 1.4854 1.5014 1.8229 1.8675 2.1944 2.3210 2.4900 2.5103 3.0021 3.0235 3.1451 3.2282 3.3500 3.4175 3.8558 3.9067 3.9454 4.0382 4.0893 4.1095 4.1546 4.1826 4.1856 4.2800 4.4723 4.4861 4.5457 4.5474 4.6403 4.7043 4.9676 5.0130 5.4498 5.4688 7.4972 7.5028 7.8726 7.8942 8.7655 8.8135 9.3444 9.3868 k =-0.2127 0.3699 0.8766 ( 5595 PWs) bands (ev): -6.0046 -5.9967 -5.6474 -5.6393 -4.8714 -4.8710 -2.6236 -2.6134 1.1040 1.2118 1.4805 1.5003 1.8205 1.8740 2.2317 2.3422 2.4935 2.5153 3.0053 3.0198 3.1374 3.2284 3.3453 3.4123 3.8609 3.9067 3.9522 4.0358 4.0881 4.1091 4.1549 4.1794 4.1896 4.2786 4.4621 4.4763 4.5570 4.5616 4.6438 4.7029 4.9559 4.9966 5.4545 5.4755 7.5015 7.5039 7.9261 7.9483 8.7978 8.8474 9.4103 9.4503 k =-0.2034 0.3537 0.8898 ( 5597 PWs) bands (ev): -6.0013 -5.9934 -5.6472 -5.6392 -4.8692 -4.8688 -2.6342 -2.6243 1.0717 1.1767 1.4777 1.5003 1.8147 1.8739 2.2693 2.3678 2.5002 2.5232 3.0067 3.0144 3.1293 3.2287 3.3404 3.4065 3.8664 3.9068 3.9593 4.0341 4.0863 4.1088 4.1555 4.1761 4.1940 4.2780 4.4504 4.4644 4.5624 4.5727 4.6557 4.7065 4.9444 4.9810 5.4592 5.4818 7.5069 7.5081 7.9868 8.0096 8.8273 8.8788 9.4797 9.5085 k =-0.1942 0.3376 0.9031 ( 5605 PWs) bands (ev): -5.9977 -5.9898 -5.6470 -5.6389 -4.8667 -4.8663 -2.6458 -2.6361 1.0393 1.1409 1.4763 1.5012 1.8066 1.8679 2.3038 2.3952 2.5120 2.5357 3.0050 3.0073 3.1216 3.2291 3.3355 3.4000 3.8722 3.9072 3.9664 4.0330 4.0841 4.1083 4.1565 4.1728 4.1987 4.2782 4.4377 4.4511 4.5607 4.5780 4.6765 4.7180 4.9337 4.9666 5.4641 5.4876 7.5121 7.5174 8.0541 8.0776 8.8517 8.9051 9.5427 9.5495 k =-0.1849 0.3214 0.9163 ( 5601 PWs) bands (ev): -5.9940 -5.9861 -5.6466 -5.6387 -4.8640 -4.8636 -2.6582 -2.6487 1.0073 1.1053 1.4756 1.5027 1.7973 1.8574 2.3320 2.4202 2.5310 2.5553 2.9982 2.9994 3.1151 3.2296 3.3308 3.3932 3.8780 3.9077 3.9736 4.0328 4.0814 4.1078 4.1577 4.1697 4.2041 4.2793 4.4241 4.4367 4.5541 4.5763 4.7042 4.7382 4.9239 4.9539 5.4691 5.4930 7.5193 7.5291 8.1274 8.1517 8.8692 8.9242 9.5859 9.5930 k =-0.1756 0.3053 0.9296 ( 5610 PWs) bands (ev): -5.9901 -5.9822 -5.6463 -5.6383 -4.8611 -4.8607 -2.6712 -2.6619 0.9762 1.0704 1.4752 1.5043 1.7876 1.8436 2.3521 2.4398 2.5580 2.5836 2.9872 2.9890 3.1106 3.2302 3.3264 3.3859 3.8837 3.9082 3.9804 4.0333 4.0784 4.1071 4.1589 4.1669 4.2101 4.2814 4.4100 4.4216 4.5445 4.5690 4.7366 4.7659 4.9152 4.9431 5.4745 5.4980 7.5279 7.5429 8.2059 8.2312 8.8789 8.9347 9.6248 9.6394 k =-0.1663 0.2891 0.9428 ( 5603 PWs) bands (ev): -5.9861 -5.9782 -5.6458 -5.6379 -4.8580 -4.8575 -2.6846 -2.6756 0.9463 1.0365 1.4745 1.5060 1.7783 1.8278 2.3643 2.4537 2.5919 2.6194 2.9740 2.9742 3.1082 3.2310 3.3224 3.3785 3.8891 3.9089 3.9869 4.0344 4.0754 4.1063 4.1602 4.1647 4.2170 4.2845 4.3956 4.4062 4.5333 4.5581 4.7726 4.7989 4.9078 4.9348 5.4802 5.5028 7.5372 7.5579 8.2887 8.3152 8.8810 8.9363 9.6675 9.6875 k =-0.1570 0.2730 0.9560 ( 5605 PWs) bands (ev): -5.9822 -5.9743 -5.6452 -5.6373 -4.8547 -4.8542 -2.6983 -2.6895 0.9179 1.0041 1.4733 1.5072 1.7700 1.8111 2.3704 2.4635 2.6301 2.6596 2.9552 2.9595 3.1076 3.2318 3.3187 3.3709 3.8941 3.9097 3.9927 4.0359 4.0725 4.1052 4.1615 4.1631 4.2245 4.2884 4.3813 4.3908 4.5213 4.5451 4.8114 4.8351 4.9016 4.9296 5.4866 5.5077 7.5460 7.5729 8.3747 8.4029 8.8771 8.9300 9.7133 9.7378 k =-0.1477 0.2568 0.9693 ( 5598 PWs) bands (ev): -5.9785 -5.9706 -5.6444 -5.6367 -4.8513 -4.8508 -2.7121 -2.7035 0.8912 0.9732 1.4713 1.5078 1.7631 1.7943 2.3722 2.4708 2.6700 2.7008 2.9340 2.9435 3.1082 3.2326 3.3155 3.3633 3.8987 3.9105 3.9979 4.0373 4.0704 4.1038 4.1622 4.1627 4.2328 4.2929 4.3674 4.3756 4.5091 4.5309 4.8525 4.8702 4.8968 4.9311 5.4937 5.5128 7.5528 7.5865 8.4626 8.4931 8.8693 8.9177 9.7613 9.7897 k =-0.1384 0.2407 0.9825 ( 5606 PWs) bands (ev): -5.9749 -5.9670 -5.6435 -5.6358 -4.8477 -4.8472 -2.7258 -2.7175 0.8663 0.9443 1.4683 1.5075 1.7579 1.7783 2.3709 2.4766 2.7095 2.7393 2.9131 2.9267 3.1098 3.2335 3.3126 3.3558 3.9028 3.9114 4.0023 4.0380 4.0694 4.1020 4.1621 4.1637 4.2413 4.2977 4.3541 4.3611 4.4973 4.5165 4.8873 4.8919 4.9017 4.9507 5.5018 5.5183 7.5560 7.5968 8.5505 8.5846 8.8612 8.9024 9.8102 9.8420 k =-0.1291 0.2245 0.9958 ( 5606 PWs) bands (ev): -5.9717 -5.9638 -5.6424 -5.6347 -4.8441 -4.8435 -2.7393 -2.7311 0.8434 0.9173 1.4642 1.5058 1.7547 1.7636 2.3672 2.4812 2.7471 2.7697 2.8976 2.9101 3.1122 3.2343 3.3102 3.3484 3.9064 3.9123 4.0060 4.0377 4.0699 4.1000 4.1626 4.1646 4.2499 4.3022 4.3418 4.3476 4.4865 4.5026 4.8872 4.8974 4.9446 4.9904 5.5108 5.5244 7.5537 7.6018 8.6354 8.6757 8.8573 8.8876 9.8586 9.8935 k =-0.1198 0.2084 1.0090 ( 5598 PWs) bands (ev): -5.9689 -5.9611 -5.6410 -5.6334 -4.8403 -4.8398 -2.7523 -2.7444 0.8227 0.8926 1.4591 1.5026 1.7509 1.7536 2.3612 2.4845 2.7808 2.7828 2.8952 2.8966 3.1153 3.2352 3.3082 3.3413 3.9095 3.9133 4.0089 4.0363 4.0719 4.0979 4.1637 4.1655 4.2578 4.3054 4.3307 4.3359 4.4773 4.4897 4.8849 4.8982 4.9926 5.0386 5.5211 5.5312 7.5442 7.5993 8.7111 8.7636 8.8646 8.8774 9.9054 9.9429 k =-0.1106 0.1922 1.0222 ( 5600 PWs) bands (ev): -5.9666 -5.9588 -5.6394 -5.6319 -4.8365 -4.8360 -2.7648 -2.7570 0.8042 0.8701 1.4530 1.4976 1.7404 1.7544 2.3528 2.4859 2.7756 2.8073 2.8860 2.9131 3.1193 3.2359 3.3065 3.3345 3.9122 3.9142 4.0112 4.0342 4.0749 4.0957 4.1652 4.1663 4.2642 4.3048 4.3210 4.3277 4.4701 4.4786 4.8828 4.8981 5.0426 5.0906 5.5326 5.5389 7.5264 7.5877 8.7659 8.8341 8.8866 8.8949 9.9488 9.9884 k =-0.1013 0.1761 1.0355 ( 5592 PWs) bands (ev): -5.9650 -5.9572 -5.6375 -5.6300 -4.8327 -4.8321 -2.7766 -2.7689 0.7881 0.8500 1.4461 1.4909 1.7325 1.7573 2.3420 2.4845 2.7590 2.8199 2.8891 2.9372 3.1247 3.2364 3.3052 3.3280 3.9145 3.9152 4.0130 4.0318 4.0786 4.0936 4.1669 4.1671 4.2685 4.2988 4.3130 4.3243 4.4657 4.4700 4.8811 4.8982 5.0941 5.1447 5.5456 5.5477 7.4998 7.5661 8.7967 8.8533 8.9484 8.9502 9.9871 10.0280 k =-0.0920 0.1599 1.0487 ( 5596 PWs) bands (ev): -5.9640 -5.9563 -5.6352 -5.6278 -4.8289 -4.8283 -2.7876 -2.7800 0.7744 0.8325 1.4386 1.4825 1.7271 1.7620 2.3283 2.4788 2.7418 2.8185 2.9052 2.9610 3.1318 3.2367 3.3042 3.3218 3.9159 3.9166 4.0143 4.0295 4.0824 4.0917 4.1679 4.1687 4.2698 4.2898 4.3068 4.3230 4.4641 4.4643 4.8798 4.8985 5.1467 5.1999 5.5578 5.5602 7.4647 7.5344 8.8172 8.8607 9.0138 9.0205 10.0182 10.0590 k =-0.0827 0.1438 1.0620 ( 5594 PWs) bands (ev): -5.9638 -5.9561 -5.6327 -5.6253 -4.8251 -4.8244 -2.7976 -2.7900 0.7633 0.8176 1.4308 1.4726 1.7241 1.7683 2.3117 2.4675 2.7285 2.8125 2.9257 2.9813 3.1410 3.2366 3.3036 3.3162 3.9168 3.9181 4.0153 4.0273 4.0863 4.0900 4.1687 4.1704 4.2682 4.2802 4.3021 4.3213 4.4617 4.4654 4.8788 4.8990 5.1994 5.2551 5.5694 5.5764 7.4224 7.4935 8.8354 8.8700 9.0740 9.0854 10.0402 10.0786 k =-0.0827 0.1438 1.0620 ( 5594 PWs) bands (ev): -5.9638 -5.9561 -5.6327 -5.6253 -4.8251 -4.8244 -2.7976 -2.7900 0.7633 0.8176 1.4308 1.4726 1.7241 1.7683 2.3117 2.4675 2.7285 2.8125 2.9257 2.9813 3.1410 3.2366 3.3036 3.3162 3.9168 3.9181 4.0153 4.0273 4.0863 4.0900 4.1687 4.1704 4.2682 4.2802 4.3021 4.3213 4.4617 4.4654 4.8788 4.8990 5.1994 5.2551 5.5694 5.5764 7.4224 7.4935 8.8354 8.8700 9.0740 9.0854 10.0402 10.0786 k =-0.0724 0.1258 1.0620 ( 5600 PWs) bands (ev): -5.9401 -5.9326 -5.6459 -5.6387 -4.8176 -4.8171 -2.8189 -2.8125 0.7580 0.8057 1.4190 1.4597 1.7294 1.7795 2.2868 2.4326 2.7267 2.8020 2.9401 2.9914 3.1526 3.2392 3.3030 3.3131 3.9192 3.9208 4.0148 4.0274 4.0886 4.0889 4.1688 4.1716 4.2617 4.2682 4.2918 4.3137 4.4612 4.4642 4.8761 4.8940 5.2531 5.3102 5.5900 5.5996 7.3630 7.4320 8.8314 8.8597 9.0989 9.1101 10.0680 10.1062 k =-0.0620 0.1078 1.0620 ( 5598 PWs) bands (ev): -5.9182 -5.9110 -5.6582 -5.6513 -4.8111 -4.8106 -2.8378 -2.8324 0.7538 0.7949 1.4085 1.4462 1.7392 1.7922 2.2626 2.3958 2.7270 2.7923 2.9526 2.9978 3.1654 3.2411 3.3026 3.3107 3.9204 3.9239 4.0146 4.0271 4.0882 4.0905 4.1686 4.1725 4.2557 4.2585 4.2845 4.3067 4.4608 4.4632 4.8740 4.8894 5.3053 5.3621 5.6108 5.6224 7.3034 7.3684 8.8292 8.8521 9.1209 9.1313 10.0894 10.1256 k =-0.0517 0.0899 1.0620 ( 5598 PWs) bands (ev): -5.8983 -5.8915 -5.6696 -5.6632 -4.8055 -4.8051 -2.8540 -2.8497 0.7508 0.7852 1.3997 1.4328 1.7523 1.8052 2.2403 2.3586 2.7288 2.7834 2.9632 3.0013 3.1783 3.2420 3.3026 3.3088 3.9215 3.9261 4.0146 4.0266 4.0879 4.0916 4.1684 4.1728 4.2503 4.2509 4.2799 4.3005 4.4605 4.4624 4.8725 4.8853 5.3542 5.4082 5.6322 5.6444 7.2463 7.3053 8.8286 8.8469 9.1398 9.1488 10.1045 10.1371 k =-0.0413 0.0719 1.0620 ( 5602 PWs) bands (ev): -5.8807 -5.8745 -5.6799 -5.6740 -4.8009 -4.8006 -2.8675 -2.8641 0.7490 0.7766 1.3928 1.4203 1.7676 1.8171 2.2215 2.3224 2.7316 2.7754 2.9721 3.0027 3.1907 3.2418 3.3028 3.3075 3.9225 3.9275 4.0149 4.0256 4.0881 4.0923 4.1682 4.1727 4.2451 4.2456 4.2773 4.2950 4.4603 4.4617 4.8714 4.8817 5.3981 5.4460 5.6541 5.6653 7.1947 7.2457 8.8292 8.8435 9.1554 9.1629 10.1145 10.1421 k =-0.0310 0.0539 1.0620 ( 5605 PWs) bands (ev): -5.8656 -5.8605 -5.6886 -5.6836 -4.7973 -4.7970 -2.8780 -2.8755 0.7483 0.7691 1.3881 1.4093 1.7839 1.8263 2.2080 2.2885 2.7352 2.7680 2.9796 3.0026 3.2020 3.2402 3.3032 3.3066 3.9236 3.9281 4.0157 4.0245 4.0885 4.0925 4.1681 4.1721 4.2409 4.2418 4.2764 4.2903 4.4601 4.4612 4.8708 4.8786 5.4351 5.4738 5.6755 5.6843 7.1518 7.1926 8.8307 8.8412 9.1677 9.1734 10.1208 10.1423 k =-0.0207 0.0359 1.0620 ( 5604 PWs) bands (ev): -5.8538 -5.8500 -5.6952 -5.6915 -4.7947 -4.7945 -2.8855 -2.8839 0.7489 0.7627 1.3857 1.4001 1.7998 1.8312 2.2017 2.2581 2.7395 2.7613 2.9859 3.0012 3.2119 3.2373 3.3037 3.3059 3.9247 3.9281 4.0168 4.0230 4.0893 4.0923 4.1683 4.1713 4.2382 4.2389 4.2767 4.2862 4.4601 4.4608 4.8708 4.8760 5.4641 5.4910 5.6942 5.6999 7.1207 7.1493 8.8327 8.8396 9.1767 9.1805 10.1252 10.1398 k =-0.0103 0.0180 1.0620 ( 5612 PWs) bands (ev): -5.8458 -5.8437 -5.6991 -5.6971 -4.7931 -4.7930 -2.8899 -2.8891 0.7506 0.7575 1.3857 1.3929 1.8140 1.8308 2.2036 2.2329 2.7442 2.7551 2.9911 2.9987 3.2204 3.2331 3.3043 3.3053 3.9258 3.9276 4.0182 4.0214 4.0901 4.0918 4.1688 4.1704 4.2366 4.2371 4.2780 4.2828 4.4601 4.4604 4.8713 4.8739 5.4844 5.4981 5.7074 5.7101 7.1040 7.1188 8.8346 8.8381 9.1824 9.1844 10.1287 10.1361 k = 0.0000 0.0000 1.0620 ( 5604 PWs) bands (ev): -5.8423 -5.8423 -5.6998 -5.6998 -4.7925 -4.7925 -2.8911 -2.8911 0.7535 0.7535 1.3881 1.3881 1.8248 1.8248 2.2143 2.2143 2.7494 2.7494 2.9954 2.9954 3.2275 3.2275 3.3048 3.3048 3.9268 3.9268 4.0198 4.0198 4.0910 4.0910 4.1695 4.1695 4.2364 4.2364 4.2801 4.2801 4.4602 4.4602 4.8724 4.8724 5.4958 5.4958 5.7129 5.7129 7.1033 7.1033 8.8365 8.8365 9.1850 9.1850 10.1323 10.1323 k = 0.0000 0.0000 1.0620 ( 5604 PWs) bands (ev): -5.8423 -5.8423 -5.6998 -5.6998 -4.7925 -4.7925 -2.8911 -2.8911 0.7535 0.7535 1.3881 1.3881 1.8248 1.8248 2.2143 2.2143 2.7494 2.7494 2.9954 2.9954 3.2275 3.2275 3.3048 3.3048 3.9268 3.9268 4.0198 4.0198 4.0910 4.0910 4.1695 4.1695 4.2364 4.2364 4.2801 4.2801 4.4602 4.4602 4.8724 4.8724 5.4958 5.4958 5.7129 5.7129 7.1033 7.1033 8.8365 8.8365 9.1850 9.1850 10.1323 10.1323 k = 0.0192 0.0111 1.0620 ( 5604 PWs) bands (ev): -5.8420 -5.8419 -5.7003 -5.7002 -4.7926 -4.7921 -2.8916 -2.8907 0.7526 0.7550 1.3800 1.3896 1.8190 1.8367 2.2106 2.2223 2.7425 2.7534 2.9887 3.0023 3.2237 3.2307 3.2995 3.3090 3.9220 3.9309 4.0079 4.0311 4.0878 4.0941 4.1648 4.1734 4.2343 4.2367 4.2787 4.2881 4.4561 4.4657 4.8723 4.8750 5.4837 5.5030 5.7002 5.7134 7.0998 7.1197 8.8315 8.8425 9.1788 9.1902 10.1304 10.1394 k = 0.0385 0.0221 1.0620 ( 5610 PWs) bands (ev): -5.8411 -5.8410 -5.7016 -5.7013 -4.7923 -4.7915 -2.8923 -2.8904 0.7523 0.7571 1.3663 1.3842 1.8199 1.8536 2.2112 2.2344 2.7328 2.7546 2.9823 3.0091 3.2195 3.2333 3.2933 3.3121 3.9165 3.9338 3.9965 4.0411 4.0846 4.0968 4.1595 4.1759 4.2320 4.2349 4.2858 4.2994 4.4537 4.4725 4.8747 4.8802 5.4656 5.5064 5.6754 5.7033 7.1091 7.1476 8.8277 8.8495 9.1717 9.1946 10.1339 10.1513 k = 0.0577 0.0332 1.0620 ( 5608 PWs) bands (ev): -5.8396 -5.8395 -5.7036 -5.7033 -4.7918 -4.7905 -2.8930 -2.8902 0.7527 0.7599 1.3483 1.3727 1.8273 1.8738 2.2157 2.2500 2.7208 2.7535 2.9762 3.0156 3.2147 3.2352 3.2863 3.3141 3.9106 3.9353 3.9868 4.0491 4.0818 4.0988 4.1540 4.1770 4.2289 4.2340 4.2993 4.3118 4.4541 4.4813 4.8792 4.8876 5.4399 5.5063 5.6400 5.6861 7.1300 7.1847 8.8249 8.8570 9.1639 9.1986 10.1427 10.1675 k = 0.0769 0.0442 1.0620 ( 5604 PWs) bands (ev): -5.8376 -5.8374 -5.7064 -5.7059 -4.7910 -4.7894 -2.8939 -2.8901 0.7536 0.7633 1.3275 1.3565 1.8399 1.8959 2.2235 2.2684 2.7070 2.7507 2.9705 3.0217 3.2095 3.2361 3.2791 3.3151 3.9046 3.9348 3.9796 4.0549 4.0795 4.1001 4.1486 4.1769 4.2255 4.2348 4.3147 4.3248 4.4589 4.4930 4.8853 4.8969 5.4057 5.5019 5.5969 5.6661 7.1599 7.2280 8.8230 8.8644 9.1559 9.2026 10.1566 10.1873 k = 0.0962 0.0553 1.0620 ( 5600 PWs) bands (ev): -5.8351 -5.8348 -5.7098 -5.7092 -4.7901 -4.7881 -2.8947 -2.8902 0.7550 0.7671 1.3052 1.3374 1.8565 1.9187 2.2335 2.2883 2.6922 2.7469 2.9648 3.0271 3.2037 3.2354 3.2726 3.3153 3.8987 3.9322 3.9754 4.0584 4.0779 4.1006 4.1434 4.1762 4.2231 4.2364 4.3258 4.3399 4.4704 4.5088 4.8922 4.9071 5.3632 5.4880 5.5541 5.6465 7.1960 7.2744 8.8217 8.8712 9.1484 9.2071 10.1750 10.2094 k = 0.1154 0.0664 1.0620 ( 5608 PWs) bands (ev): -5.8322 -5.8319 -5.7136 -5.7129 -4.7890 -4.7866 -2.8956 -2.8903 0.7567 0.7714 1.2826 1.3169 1.8756 1.9413 2.2445 2.3085 2.6776 2.7432 2.9590 3.0319 3.1975 3.2324 3.2676 3.3148 3.8934 3.9277 3.9738 4.0598 4.0771 4.1005 4.1387 4.1751 4.2217 4.2380 4.3318 4.3540 4.4907 4.5297 4.8988 4.9174 5.3142 5.4515 5.5275 5.6290 7.2352 7.3213 8.8208 8.8764 9.1420 9.2124 10.1971 10.2327 k = 0.1346 0.0774 1.0620 ( 5610 PWs) bands (ev): -5.8290 -5.8286 -5.7177 -5.7169 -4.7879 -4.7852 -2.8964 -2.8904 0.7588 0.7759 1.2608 1.2965 1.8961 1.9630 2.2553 2.3272 2.6643 2.7405 2.9528 3.0358 3.1909 3.2271 3.2648 3.3138 3.8887 3.9224 3.9738 4.0597 4.0767 4.0998 4.1350 4.1740 4.2212 4.2394 4.3346 4.3641 4.5203 4.5559 4.9041 4.9264 5.2617 5.3966 5.5161 5.6141 7.2748 7.3661 8.8204 8.8795 9.1374 9.2187 10.2214 10.2557 k = 0.1538 0.0885 1.0620 ( 5610 PWs) bands (ev): -5.8256 -5.8252 -5.7220 -5.7211 -4.7868 -4.7839 -2.8972 -2.8906 0.7610 0.7804 1.2405 1.2774 1.9166 1.9831 2.2649 2.3428 2.6536 2.7393 2.9462 3.0390 3.1840 3.2204 3.2638 3.3125 3.8851 3.9169 3.9747 4.0589 4.0762 4.0988 4.1321 4.1731 4.2217 4.2402 4.3355 4.3700 4.5576 4.5873 4.9065 4.9319 5.2098 5.3366 5.5096 5.6015 7.3125 7.4070 8.8205 8.8801 9.1349 9.2259 10.2459 10.2769 k = 0.1731 0.0995 1.0620 ( 5606 PWs) bands (ev): -5.8223 -5.8219 -5.7261 -5.7251 -4.7858 -4.7826 -2.8979 -2.8908 0.7631 0.7847 1.2226 1.2605 1.9360 2.0011 2.2726 2.3542 2.6463 2.7401 2.9392 3.0415 3.1772 3.2136 3.2637 3.3111 3.8825 3.9118 3.9758 4.0579 4.0755 4.0978 4.1301 4.1723 4.2228 4.2403 4.3355 4.3730 4.6005 4.6232 4.9040 4.9306 5.1638 5.2779 5.5049 5.5911 7.3462 7.4422 8.8210 8.8782 9.1342 9.2333 10.2678 10.2955 k = 0.1923 0.1106 1.0620 ( 5606 PWs) bands (ev): -5.8193 -5.8188 -5.7298 -5.7288 -4.7849 -4.7816 -2.8985 -2.8910 0.7651 0.7886 1.2078 1.2466 1.9530 2.0164 2.2781 2.3609 2.6425 2.7426 2.9322 3.0432 3.1709 3.2077 3.2641 3.3097 3.8808 3.9072 3.9770 4.0570 4.0746 4.0968 4.1287 4.1717 4.2244 4.2398 4.3351 4.3742 4.6468 4.6630 4.8946 4.9177 5.1301 5.2246 5.5014 5.5828 7.3742 7.4706 8.8219 8.8746 9.1349 9.2404 10.2843 10.3111 k = 0.2115 0.1217 1.0620 ( 5604 PWs) bands (ev): -5.8168 -5.8163 -5.7328 -5.7317 -4.7843 -4.7808 -2.8989 -2.8911 0.7666 0.7916 1.1967 1.2363 1.9665 2.0280 2.2815 2.3638 2.6413 2.7460 2.9261 3.0444 3.1657 3.2032 3.2645 3.3086 3.8799 3.9036 3.9780 4.0563 4.0737 4.0960 4.1279 4.1713 4.2263 4.2388 4.3347 4.3744 4.6941 4.7051 4.8767 4.8910 5.1133 5.1801 5.4990 5.5767 7.3952 7.4914 8.8233 8.8705 9.1362 9.2462 10.2947 10.3225 k = 0.2308 0.1327 1.0620 ( 5612 PWs) bands (ev): -5.8152 -5.8146 -5.7348 -5.7336 -4.7838 -4.7803 -2.8991 -2.8912 0.7676 0.7936 1.1898 1.2299 1.9751 2.0354 2.2834 2.3646 2.6413 2.7489 2.9216 3.0450 3.1623 3.2004 3.2649 3.3079 3.8796 3.9011 3.9785 4.0558 4.0730 4.0955 4.1275 4.1710 4.2280 4.2375 4.3345 4.3744 4.7389 4.7458 4.8513 4.8556 5.1122 5.1463 5.4974 5.5729 7.4082 7.5040 8.8246 8.8670 9.1373 9.2501 10.3000 10.3290 k = 0.2500 0.1438 1.0620 ( 5624 PWs) bands (ev): -5.8146 -5.8141 -5.7355 -5.7343 -4.7837 -4.7801 -2.8992 -2.8912 0.7680 0.7942 1.1875 1.2277 1.9781 2.0379 2.2839 2.3646 2.6415 2.7500 2.9200 3.0451 3.1611 3.1995 3.2650 3.3076 3.8795 3.9003 3.9787 4.0557 4.0728 4.0953 4.1273 4.1709 4.2288 4.2369 4.3344 4.3743 4.7639 4.7700 4.8296 4.8359 5.1226 5.1248 5.4969 5.5716 7.4126 7.5083 8.8251 8.8657 9.1378 9.2514 10.3017 10.3311 k = 0.2500 0.1438 1.0620 ( 5624 PWs) bands (ev): -5.8146 -5.8141 -5.7355 -5.7343 -4.7837 -4.7801 -2.8992 -2.8912 0.7680 0.7942 1.1875 1.2277 1.9781 2.0379 2.2839 2.3646 2.6415 2.7500 2.9200 3.0451 3.1611 3.1995 3.2650 3.3076 3.8795 3.9003 3.9787 4.0557 4.0728 4.0953 4.1273 4.1709 4.2288 4.2369 4.3344 4.3743 4.7639 4.7700 4.8296 4.8359 5.1226 5.1248 5.4969 5.5716 7.4126 7.5083 8.8251 8.8657 9.1378 9.2514 10.3017 10.3311 k = 0.2407 0.1599 1.0488 ( 5614 PWs) bands (ev): -5.8149 -5.8143 -5.7356 -5.7344 -4.7838 -4.7802 -2.8985 -2.8905 0.7697 0.7959 1.1871 1.2266 1.9796 2.0381 2.2844 2.3645 2.6430 2.7509 2.9181 3.0403 3.1639 3.1999 3.2651 3.3075 3.8797 3.9005 3.9785 4.0558 4.0730 4.0953 4.1271 4.1709 4.2288 4.2372 4.3339 4.3735 4.7641 4.7703 4.8279 4.8333 5.1241 5.1272 5.4944 5.5687 7.4136 7.5081 8.8188 8.8574 9.1432 9.2542 10.3039 10.3328 k = 0.2315 0.1760 1.0356 ( 5618 PWs) bands (ev): -5.8157 -5.8151 -5.7359 -5.7347 -4.7839 -4.7804 -2.8962 -2.8882 0.7750 0.8011 1.1858 1.2234 1.9840 2.0386 2.2858 2.3641 2.6475 2.7536 2.9124 3.0271 3.1710 3.2010 3.2655 3.3071 3.8802 3.9010 3.9778 4.0559 4.0737 4.0952 4.1263 4.1708 4.2287 4.2381 4.3326 4.3713 4.7643 4.7710 4.8233 4.8261 5.1284 5.1338 5.4868 5.5601 7.4165 7.5078 8.8012 8.8352 9.1566 9.2607 10.3095 10.3372 k = 0.2222 0.1921 1.0224 ( 5612 PWs) bands (ev): -5.8171 -5.8165 -5.7363 -5.7352 -4.7842 -4.7807 -2.8924 -2.8845 0.7838 0.8096 1.1838 1.2182 1.9909 2.0392 2.2880 2.3636 2.6546 2.7581 2.9035 3.0080 3.1794 3.2021 3.2666 3.3070 3.8811 3.9018 3.9767 4.0562 4.0747 4.0951 4.1251 4.1706 4.2287 4.2396 4.3305 4.3676 4.7641 4.7717 4.8156 4.8169 5.1348 5.1437 5.4743 5.5460 7.4216 7.5074 8.7750 8.8041 9.1719 9.2672 10.3152 10.3423 k = 0.2130 0.2082 1.0092 ( 5614 PWs) bands (ev): -5.8189 -5.8184 -5.7370 -5.7359 -4.7846 -4.7812 -2.8873 -2.8793 0.7960 0.8215 1.1812 1.2115 2.0001 2.0400 2.2910 2.3630 2.6638 2.7642 2.8920 2.9851 3.1866 3.2023 3.2688 3.3076 3.8823 3.9030 3.9750 4.0565 4.0759 4.0952 4.1235 4.1702 4.2286 4.2417 4.3278 4.3627 4.7626 4.7710 4.8045 4.8103 5.1425 5.1556 5.4571 5.5266 7.4288 7.5073 8.7432 8.7681 9.1834 9.2692 10.3134 10.3438 k = 0.2037 0.2243 0.9960 ( 5614 PWs) bands (ev): -5.8213 -5.8207 -5.7379 -5.7367 -4.7851 -4.7817 -2.8807 -2.8728 0.8116 0.8367 1.1781 1.2035 2.0110 2.0407 2.2947 2.3625 2.6744 2.7721 2.8788 2.9597 3.1908 3.2010 3.2726 3.3099 3.8838 3.9045 3.9729 4.0567 4.0771 4.0955 4.1214 4.1698 4.2286 4.2444 4.3247 4.3566 4.7586 4.7658 4.7970 4.8057 5.1507 5.1682 5.4354 5.5023 7.4384 7.5080 8.7081 8.7298 9.1873 9.2628 10.2924 10.3343 k = 0.1944 0.2404 0.9828 ( 5610 PWs) bands (ev): -5.8240 -5.8235 -5.7389 -5.7378 -4.7857 -4.7824 -2.8729 -2.8651 0.8306 0.8551 1.1747 1.1948 2.0230 2.0411 2.2990 2.3621 2.6849 2.7812 2.8655 2.9325 3.1911 3.1975 3.2781 3.3142 3.8856 3.9062 3.9702 4.0566 4.0777 4.0963 4.1193 4.1693 4.2288 4.2476 4.3217 4.3497 4.7516 4.7543 4.7958 4.8043 5.1587 5.1807 5.4097 5.4736 7.4505 7.5097 8.6712 8.6900 9.1818 9.2463 10.2452 10.3039 k = 0.1852 0.2565 0.9696 ( 5606 PWs) bands (ev): -5.8272 -5.8267 -5.7401 -5.7390 -4.7864 -4.7831 -2.8639 -2.8562 0.8529 0.8764 1.1712 1.1859 2.0354 2.0410 2.3037 2.3618 2.6934 2.7910 2.8541 2.9046 3.1871 3.1920 3.2849 3.3207 3.8876 3.9082 3.9671 4.0562 4.0773 4.0977 4.1173 4.1686 4.2292 4.2513 4.3188 4.3422 4.7399 4.7424 4.7981 4.8056 5.1659 5.1921 5.3805 5.4411 7.4650 7.5129 8.6329 8.6488 9.1672 9.2199 10.1754 10.2465 k = 0.1759 0.2726 0.9564 ( 5604 PWs) bands (ev): -5.8308 -5.8302 -5.7414 -5.7403 -4.7872 -4.7840 -2.8539 -2.8462 0.8783 0.9007 1.1679 1.1772 2.0403 2.0478 2.3087 2.3618 2.6967 2.7991 2.8475 2.8787 3.1793 3.1847 3.2928 3.3288 3.8897 3.9104 3.9635 4.0554 4.0751 4.0997 4.1159 4.1680 4.2299 4.2554 4.3166 4.3347 4.7250 4.7324 4.8018 4.8087 5.1718 5.2017 5.3483 5.4057 7.4821 7.5178 8.5931 8.6054 9.1459 9.1859 10.0907 10.1660 k = 0.1667 0.2887 0.9432 ( 5602 PWs) bands (ev): -5.8346 -5.8341 -5.7428 -5.7418 -4.7880 -4.7849 -2.8429 -2.8354 0.9068 0.9274 1.1648 1.1694 2.0387 2.0595 2.3138 2.3620 2.6921 2.7980 2.8484 2.8621 3.1684 3.1758 3.3013 3.3380 3.8918 3.9127 3.9595 4.0542 4.0706 4.1025 4.1153 4.1672 4.2313 4.2597 4.3152 4.3275 4.7109 4.7226 4.8060 4.8125 5.1762 5.2088 5.3138 5.3684 7.5015 7.5247 8.5506 8.5586 9.1214 9.1481 9.9977 10.0713 k = 0.1574 0.3048 0.9300 ( 5598 PWs) bands (ev): -5.8387 -5.8382 -5.7443 -5.7433 -4.7889 -4.7859 -2.8312 -2.8238 0.9382 0.9562 1.1623 1.1631 2.0362 2.0699 2.3189 2.3623 2.6790 2.7789 2.8571 2.8635 3.1551 3.1658 3.3101 3.3476 3.8938 3.9151 3.9553 4.0526 4.0638 4.1061 4.1155 4.1666 4.2335 4.2638 4.3147 4.3214 4.6982 4.7138 4.8100 4.8165 5.1786 5.2125 5.2782 5.3309 7.5229 7.5334 8.5043 8.5073 9.0976 9.1106 9.9013 9.9700 k = 0.1481 0.3209 0.9168 ( 5602 PWs) bands (ev): -5.8429 -5.8425 -5.7459 -5.7449 -4.7898 -4.7870 -2.8188 -2.8117 0.9722 0.9863 1.1594 1.1606 2.0327 2.0786 2.3238 2.3624 2.6591 2.7487 2.8718 2.8761 3.1403 3.1550 3.3190 3.3574 3.8955 3.9175 3.9510 4.0508 4.0549 4.1102 4.1160 4.1660 4.2366 4.2672 4.3153 4.3173 4.6872 4.7062 4.8133 4.8198 5.1785 5.2107 5.2428 5.2960 7.5438 7.5460 8.4506 8.4530 9.0776 9.0780 9.8051 9.8671 k = 0.1389 0.3370 0.9036 ( 5610 PWs) bands (ev): -5.8473 -5.8469 -5.7475 -5.7466 -4.7908 -4.7881 -2.8061 -2.7991 1.0085 1.0161 1.1598 1.1600 2.0282 2.0850 2.3283 2.3621 2.6347 2.7141 2.8899 2.8925 3.1247 3.1439 3.3278 3.3669 3.8965 3.9198 3.9471 4.0444 4.0490 4.1147 4.1165 4.1655 4.2408 4.2692 4.3160 4.3170 4.6780 4.7000 4.8153 4.8217 5.1733 5.1993 5.2114 5.2691 7.5557 7.5702 8.3885 8.3960 9.0522 9.0649 9.7119 9.7662 k = 0.1296 0.3531 0.8904 ( 5606 PWs) bands (ev): -5.8518 -5.8514 -5.7492 -5.7483 -4.7918 -4.7892 -2.7930 -2.7863 1.0429 1.0463 1.1612 1.1670 2.0228 2.0887 2.3322 2.3608 2.6077 2.6776 2.9093 2.9102 3.1093 3.1330 3.3364 3.3760 3.8965 3.9219 3.9441 4.0330 4.0472 4.1166 4.1195 4.1652 4.2462 4.2695 4.3182 4.3195 4.6709 4.6955 4.8154 4.8214 5.1558 5.1760 5.1926 5.2538 7.5684 7.5947 8.3216 8.3335 9.0360 9.0596 9.6237 9.6699 k = 0.1204 0.3692 0.8772 ( 5608 PWs) bands (ev): -5.8563 -5.8559 -5.7509 -5.7501 -4.7928 -4.7903 -2.7798 -2.7734 1.0636 1.0839 1.1659 1.1844 2.0165 2.0894 2.3351 2.3575 2.5798 2.6403 2.9272 2.9284 3.0952 3.1229 3.3448 3.3846 3.8951 3.9236 3.9422 4.0211 4.0457 4.1164 4.1244 4.1648 4.2525 4.2686 4.3228 4.3236 4.6658 4.6925 4.8128 4.8179 5.1292 5.1469 5.1849 5.2455 7.5815 7.6186 8.2514 8.2664 9.0294 9.0621 9.5423 9.5801 k = 0.1111 0.3853 0.8640 ( 5606 PWs) bands (ev): -5.8607 -5.8603 -5.7525 -5.7518 -4.7937 -4.7914 -2.7667 -2.7606 1.0769 1.1159 1.1792 1.2130 2.0096 2.0869 2.3364 2.3510 2.5526 2.6032 2.9420 2.9455 3.0839 3.1146 3.3528 3.3925 3.8924 3.9247 3.9417 4.0094 4.0445 4.1157 4.1292 4.1645 4.2595 4.2675 4.3269 4.3312 4.6625 4.6910 4.8068 4.8103 5.1039 5.1184 5.1795 5.2393 7.5941 7.6410 8.1794 8.1965 9.0319 9.0717 9.4691 9.4987 k = 0.1019 0.4014 0.8508 ( 5604 PWs) bands (ev): -5.8650 -5.8646 -5.7542 -5.7535 -4.7947 -4.7925 -2.7539 -2.7480 1.0849 1.1345 1.2086 1.2505 2.0023 2.0810 2.3351 2.3396 2.5281 2.5674 2.9524 2.9592 3.0776 3.1092 3.3605 3.3996 3.8886 3.9249 3.9426 3.9984 4.0437 4.1146 4.1337 4.1642 4.2665 4.2671 4.3318 4.3404 4.6607 4.6907 4.7972 4.7979 5.0835 5.0939 5.1742 5.2332 7.6057 7.6607 8.1073 8.1254 9.0422 9.0874 9.4054 9.4271 k = 0.0926 0.4175 0.8376 ( 5602 PWs) bands (ev): -5.8691 -5.8688 -5.7557 -5.7551 -4.7956 -4.7936 -2.7414 -2.7360 1.0904 1.1430 1.2505 1.2940 1.9950 2.0717 2.3215 2.3295 2.5081 2.5346 2.9569 2.9680 3.0777 3.1079 3.3679 3.4060 3.8841 3.9237 3.9444 3.9888 4.0434 4.1130 4.1378 4.1637 4.2664 4.2745 4.3374 4.3508 4.6597 4.6909 4.7813 4.7844 5.0690 5.0748 5.1685 5.2266 7.6155 7.6769 8.0366 8.0549 9.0589 9.1078 9.3523 9.3667 k = 0.0833 0.4336 0.8244 ( 5598 PWs) bands (ev): -5.8730 -5.8727 -5.7572 -5.7566 -4.7964 -4.7946 -2.7296 -2.7245 1.0951 1.1478 1.2982 1.3414 1.9881 2.0590 2.2958 2.3177 2.4934 2.5071 2.9555 2.9715 3.0840 3.1110 3.3750 3.4116 3.8794 3.9208 3.9468 3.9812 4.0435 4.1110 4.1414 4.1631 4.2672 4.2815 4.3440 4.3621 4.6581 4.6898 4.7630 4.7702 5.0600 5.0612 5.1627 5.2193 7.6232 7.6888 7.9688 7.9867 9.0804 9.1313 9.3105 9.3187 k = 0.0741 0.4497 0.8112 ( 5598 PWs) bands (ev): -5.8766 -5.8763 -5.7586 -5.7581 -4.7972 -4.7956 -2.7184 -2.7138 1.0999 1.1512 1.3487 1.3916 1.9821 2.0431 2.2629 2.2978 2.4839 2.4867 2.9504 2.9701 3.0946 3.1178 3.3817 3.4163 3.8748 3.9161 3.9497 3.9759 4.0443 4.1086 4.1444 4.1624 4.2688 4.2875 4.3518 4.3740 4.6537 4.6835 4.7480 4.7575 5.0523 5.0554 5.1568 5.2115 7.6286 7.6957 7.9050 7.9220 9.1043 9.1554 9.2811 9.2839 k = 0.0648 0.4658 0.7980 ( 5594 PWs) bands (ev): -5.8799 -5.8797 -5.7599 -5.7594 -4.7979 -4.7965 -2.7082 -2.7041 1.1051 1.1539 1.4009 1.4438 1.9774 2.0241 2.2241 2.2700 2.4738 2.4781 2.9436 2.9654 3.1071 3.1267 3.3881 3.4202 3.8707 3.9099 3.9527 3.9727 4.0457 4.1057 4.1469 4.1616 4.2711 4.2922 4.3611 4.3865 4.6442 4.6678 4.7416 4.7496 5.0472 5.0539 5.1513 5.2034 7.6317 7.6977 7.8465 7.8622 9.1282 9.1763 9.2632 9.2660 k = 0.0556 0.4819 0.7848 ( 5584 PWs) bands (ev): -5.8828 -5.8826 -5.7610 -5.7606 -4.7985 -4.7973 -2.6990 -2.6954 1.1108 1.1559 1.4541 1.4973 1.9745 2.0024 2.1809 2.2360 2.4670 2.4749 2.9368 2.9589 3.1199 3.1363 3.3943 3.4231 3.8673 3.9028 3.9557 3.9709 4.0478 4.1023 4.1489 4.1607 4.2739 4.2956 4.3720 4.3994 4.6290 4.6445 4.7430 4.7479 5.0446 5.0540 5.1465 5.1950 7.6329 7.6950 7.7940 7.8083 9.1486 9.1892 9.2577 9.2675 k = 0.0463 0.4980 0.7716 ( 5584 PWs) bands (ev): -5.8854 -5.8852 -5.7620 -5.7616 -4.7990 -4.7980 -2.6909 -2.6879 1.1170 1.1571 1.5077 1.5516 1.9738 1.9780 2.1346 2.1985 2.4641 2.4730 2.9308 2.9516 3.1320 3.1454 3.4000 3.4251 3.8648 3.8955 3.9586 3.9701 4.0505 4.0984 4.1504 4.1597 4.2772 4.2975 4.3844 4.4125 4.6101 4.6183 4.7481 4.7507 5.0437 5.0547 5.1429 5.1865 7.6329 7.6883 7.7485 7.7614 9.1636 9.1944 9.2660 9.2823 k = 0.0370 0.5141 0.7584 ( 5586 PWs) bands (ev): -5.8875 -5.8874 -5.7628 -5.7625 -4.7994 -4.7986 -2.6841 -2.6816 1.1235 1.1573 1.5610 1.6057 1.9512 1.9755 2.0867 2.1601 2.4635 2.4719 2.9261 2.9442 3.1426 3.1533 3.4053 3.4262 3.8632 3.8884 3.9612 3.9697 4.0538 4.0939 4.1516 4.1587 4.2806 4.2983 4.3981 4.4257 4.5898 4.5918 4.7545 4.7559 5.0439 5.0551 5.1409 5.1783 7.6324 7.6782 7.7109 7.7227 9.1743 9.1972 9.2834 9.3018 k = 0.0278 0.5302 0.7452 ( 5588 PWs) bands (ev): -5.8892 -5.8891 -5.7634 -5.7632 -4.7998 -4.7991 -2.6787 -2.6768 1.1300 1.1565 1.6131 1.6582 1.9229 1.9783 2.0398 2.1229 2.4641 2.4711 2.9230 2.9375 3.1515 3.1595 3.4102 3.4264 3.8626 3.8819 3.9635 3.9695 4.0579 4.0891 4.1526 4.1577 4.2840 4.2980 4.4129 4.4384 4.5669 4.5697 4.7608 4.7616 5.0447 5.0547 5.1408 5.1704 7.6318 7.6649 7.6819 7.6938 9.1832 9.1997 9.3035 9.3200 k = 0.0185 0.5463 0.7320 ( 5602 PWs) bands (ev): -5.8904 -5.8903 -5.7638 -5.7637 -4.8000 -4.7995 -2.6746 -2.6733 1.1363 1.1546 1.6624 1.7057 1.8958 1.9676 2.0104 2.0887 2.4654 2.4703 2.9215 2.9316 3.1584 3.1637 3.4146 3.4256 3.8631 3.8761 3.9654 3.9692 4.0624 4.0838 4.1534 4.1567 4.2872 4.2969 4.4283 4.4496 4.5454 4.5513 4.7661 4.7666 5.0460 5.0535 5.1425 5.1631 7.6312 7.6499 7.6628 7.6750 9.1909 9.2019 9.3217 9.3338 k = 0.0093 0.5624 0.7188 ( 5598 PWs) bands (ev): -5.8911 -5.8911 -5.7641 -5.7640 -4.8000 -4.7998 -2.6720 -2.6714 1.1421 1.1515 1.7061 1.7380 1.8795 1.9286 2.0164 2.0589 2.4668 2.4693 2.9217 2.9269 3.1631 3.1658 3.4184 3.4240 3.8648 3.8713 3.9669 3.9688 4.0675 4.0784 4.1542 4.1558 4.2903 4.2952 4.4431 4.4563 4.5308 4.5362 4.7696 4.7698 5.0477 5.0517 5.1459 5.1564 7.6303 7.6377 7.6548 7.6631 9.1971 9.2026 9.3351 9.3414 k = 0.0000 0.5785 0.7056 ( 5604 PWs) bands (ev): -5.8914 -5.8914 -5.7642 -5.7642 -4.8000 -4.8000 -2.6709 -2.6709 1.1473 1.1473 1.7369 1.7369 1.8919 1.8919 2.0345 2.0345 2.4682 2.4682 2.9236 2.9236 3.1656 3.1656 3.4216 3.4216 3.8675 3.8675 3.9680 3.9680 4.0729 4.0729 4.1550 4.1550 4.2930 4.2930 4.4540 4.4540 4.5278 4.5278 4.7709 4.7709 5.0496 5.0496 5.1506 5.1506 7.6314 7.6314 7.6560 7.6560 9.2011 9.2011 9.3419 9.3419 k = 0.0000 0.5785 0.7056 ( 5604 PWs) bands (ev): -5.8914 -5.8914 -5.7642 -5.7642 -4.8000 -4.8000 -2.6709 -2.6709 1.1473 1.1473 1.7369 1.7369 1.8919 1.8919 2.0345 2.0345 2.4682 2.4682 2.9236 2.9236 3.1656 3.1656 3.4216 3.4216 3.8675 3.8675 3.9680 3.9680 4.0729 4.0729 4.1550 4.1550 4.2930 4.2930 4.4540 4.4540 4.5278 4.5278 4.7709 4.7709 5.0496 5.0496 5.1506 5.1506 7.6314 7.6314 7.6560 7.6560 9.2011 9.2011 9.3419 9.3419 k = 0.0198 0.5853 0.7000 ( 5606 PWs) bands (ev): -5.8927 -5.8914 -5.7641 -5.7627 -4.8007 -4.8006 -2.6705 -2.6700 1.1476 1.1495 1.7192 1.7517 1.8784 1.9024 2.0209 2.0502 2.4651 2.4716 2.9190 2.9303 3.1586 3.1728 3.4171 3.4253 3.8637 3.8715 3.9622 3.9742 4.0702 4.0758 4.1539 4.1562 4.2851 4.3005 4.4504 4.4578 4.5248 4.5301 4.7618 4.7790 5.0205 5.0757 5.1313 5.1783 7.6265 7.6365 7.6520 7.6596 9.1881 9.2052 9.3227 9.3415 k = 0.0397 0.5921 0.6944 ( 5600 PWs) bands (ev): -5.8955 -5.8928 -5.7624 -5.7597 -4.8027 -4.8026 -2.6688 -2.6678 1.1505 1.1544 1.6998 1.7616 1.8641 1.9086 2.0097 2.0680 2.4628 2.4752 2.9169 2.9392 3.1520 3.1802 3.4120 3.4284 3.8602 3.8756 3.9568 3.9808 4.0679 4.0791 4.1531 4.1576 4.2770 4.3074 4.4471 4.4617 4.5213 4.5316 4.7519 4.7857 4.9936 5.0796 5.1393 5.2091 7.6215 7.6418 7.6474 7.6634 9.1667 9.1993 9.2877 9.3222 k = 0.0595 0.5989 0.6888 ( 5597 PWs) bands (ev): -5.8994 -5.8956 -5.7592 -5.7554 -4.8059 -4.8059 -2.6657 -2.6642 1.1557 1.1620 1.6794 1.7636 1.8524 1.9100 2.0011 2.0873 2.4612 2.4789 2.9169 2.9499 3.1459 3.1876 3.4063 3.4308 3.8569 3.8799 3.9518 3.9879 4.0660 4.0826 4.1526 4.1592 4.2687 4.3133 4.4444 4.4656 4.5173 4.5325 4.7411 4.7900 4.9713 5.0658 5.1700 5.2413 7.6159 7.6410 7.6483 7.6677 9.1370 9.1800 9.2465 9.2886 k = 0.0794 0.6058 0.6832 ( 5598 PWs) bands (ev): -5.9046 -5.8997 -5.7546 -5.7498 -4.8103 -4.8103 -2.6615 -2.6594 1.1632 1.1722 1.6584 1.7549 1.8463 1.9068 1.9955 2.1077 2.4606 2.4824 2.9190 2.9621 3.1404 3.1950 3.4001 3.4325 3.8539 3.8840 3.9471 3.9953 4.0646 4.0862 4.1523 4.1608 4.2604 4.3179 4.4427 4.4695 4.5129 4.5325 4.7296 4.7910 4.9550 5.0519 5.2056 5.2739 7.6094 7.6338 7.6547 7.6731 9.0977 9.1407 9.2135 9.2480 k = 0.0992 0.6126 0.6776 ( 5582 PWs) bands (ev): -5.9108 -5.9052 -5.7486 -5.7430 -4.8158 -4.8157 -2.6563 -2.6535 1.1726 1.1850 1.6373 1.7369 1.8442 1.8996 1.9934 2.1287 2.4609 2.4857 2.9229 2.9752 3.1358 3.2022 3.3937 3.4336 3.8512 3.8882 3.9428 4.0033 4.0638 4.0899 4.1524 4.1625 4.2521 4.3208 4.4424 4.4733 4.5085 4.5320 4.7173 4.7876 4.9458 5.0413 5.2420 5.3060 7.6016 7.6249 7.6617 7.6798 9.0464 9.0871 9.1898 9.2093 k = 0.1190 0.6194 0.6720 ( 5581 PWs) bands (ev): -5.9182 -5.9119 -5.7414 -5.7351 -4.8221 -4.8220 -2.6500 -2.6467 1.1837 1.2002 1.6164 1.7134 1.8425 1.8891 1.9949 2.1497 2.4622 2.4887 2.9284 2.9886 3.1323 3.2089 3.3871 3.4342 3.8488 3.8922 3.9387 4.0115 4.0636 4.0937 4.1527 4.1642 4.2438 4.3215 4.4437 4.4771 4.5039 4.5308 4.7047 4.7802 4.9435 5.0348 5.2777 5.3367 7.5923 7.6144 7.6693 7.6877 8.9849 9.0287 9.1670 9.1818 k = 0.1389 0.6262 0.6664 ( 5590 PWs) bands (ev): -5.9265 -5.9198 -5.7330 -5.7262 -4.8290 -4.8289 -2.6430 -2.6390 1.1959 1.2177 1.5963 1.6872 1.8389 1.8764 1.9999 2.1705 2.4643 2.4914 2.9350 3.0013 3.1304 3.2148 3.3808 3.4344 3.8467 3.8961 3.9349 4.0198 4.0641 4.0974 4.1532 4.1658 4.2354 4.3200 4.4469 4.4809 4.4995 4.5291 4.6922 4.7697 4.9469 5.0323 5.3117 5.3650 7.5816 7.6024 7.6774 7.6964 8.9196 8.9677 9.1454 9.1666 k = 0.1587 0.6331 0.6608 ( 5584 PWs) bands (ev): -5.9360 -5.9288 -5.7235 -5.7164 -4.8364 -4.8363 -2.6354 -2.6306 1.2087 1.2371 1.5774 1.6600 1.8328 1.8620 2.0079 2.1906 2.4671 2.4937 2.9424 3.0125 3.1308 3.2198 3.3750 3.4343 3.8449 3.8997 3.9314 4.0279 4.0657 4.1010 4.1540 4.1673 4.2271 4.3165 4.4518 4.4845 4.4953 4.5272 4.6805 4.7582 4.9540 5.0333 5.3432 5.3902 7.5696 7.5891 7.6859 7.7057 8.8556 8.9066 9.1310 9.1580 k = 0.1786 0.6399 0.6553 ( 5594 PWs) bands (ev): -5.9466 -5.9391 -5.7131 -5.7056 -4.8441 -4.8440 -2.6273 -2.6216 1.2213 1.2581 1.5604 1.6330 1.8244 1.8467 2.0181 2.2099 2.4704 2.4957 2.9504 3.0211 3.1340 3.2234 3.3701 3.4339 3.8434 3.9030 3.9282 4.0352 4.0686 4.1042 4.1549 4.1685 4.2189 4.3113 4.4580 4.4869 4.4923 4.5250 4.6701 4.7468 4.9634 5.0372 5.3712 5.4115 7.5566 7.5751 7.6944 7.7148 8.7965 8.8482 9.1242 9.1553 k = 0.1984 0.6467 0.6497 ( 5598 PWs) bands (ev): -5.9582 -5.9506 -5.7017 -5.6940 -4.8518 -4.8516 -2.6189 -2.6124 1.2327 1.2800 1.5460 1.6075 1.8146 1.8310 2.0299 2.2282 2.4741 2.4973 2.9584 3.0267 3.1400 3.2255 3.3664 3.4333 3.8421 3.9060 3.9253 4.0410 4.0731 4.1069 4.1561 4.1694 4.2110 4.3053 4.4652 4.4855 4.4933 4.5231 4.6615 4.7368 4.9738 5.0435 5.3950 5.4280 7.5432 7.5608 7.7025 7.7232 8.7446 8.7955 9.1243 9.1583 k = 0.2182 0.6535 0.6441 ( 5607 PWs) bands (ev): -5.9710 -5.9633 -5.6894 -5.6816 -4.8594 -4.8591 -2.6104 -2.6029 1.2418 1.3017 1.5350 1.5848 1.8039 1.8155 2.0427 2.2453 2.4779 2.4985 2.9662 3.0294 3.1481 3.2262 3.3642 3.4328 3.8411 3.9085 3.9227 4.0452 4.0788 4.1089 4.1573 4.1698 4.2038 4.2993 4.4724 4.4828 4.4958 4.5220 4.6552 4.7289 4.9844 5.0513 5.4136 5.4392 7.5299 7.5469 7.7097 7.7304 8.7019 8.7509 9.1296 9.1665 k = 0.2381 0.6604 0.6385 ( 5610 PWs) bands (ev): -5.9850 -5.9771 -5.6764 -5.6684 -4.8665 -4.8663 -2.6020 -2.5934 1.2474 1.3214 1.5278 1.5671 1.7928 1.8010 2.0561 2.2610 2.4816 2.4994 2.9733 3.0299 3.1568 3.2260 3.3634 3.4324 3.8404 3.9103 3.9209 4.0481 4.0847 4.1100 4.1586 4.1695 4.1978 4.2943 4.4761 4.4834 4.4978 4.5222 4.6516 4.7238 4.9947 5.0602 5.4266 5.4446 7.5174 7.5338 7.7152 7.7360 8.6696 8.7164 9.1376 9.1778 k = 0.2579 0.6672 0.6329 ( 5605 PWs) bands (ev): -6.0001 -5.9922 -5.6625 -5.6544 -4.8731 -4.8728 -2.5938 -2.5841 1.2488 1.3367 1.5248 1.5569 1.7807 1.7890 2.0699 2.2752 2.4852 2.5000 2.9791 3.0293 3.1640 3.2261 3.3641 3.4322 3.8400 3.9108 3.9203 4.0501 4.0889 4.1103 4.1596 4.1686 4.1940 4.2909 4.4744 4.4877 4.5002 4.5243 4.6508 4.7217 5.0041 5.0694 5.4331 5.4440 7.5061 7.5222 7.7189 7.7395 8.6485 8.6937 9.1445 9.1877 k = 0.2777 0.6740 0.6273 ( 5603 PWs) bands (ev): -6.0164 -6.0085 -5.6480 -5.6398 -4.8790 -4.8786 -2.5858 -2.5749 1.2457 1.3446 1.5267 1.5558 1.7678 1.7807 2.0838 2.2877 2.4882 2.5005 2.9829 3.0286 3.1675 3.2280 3.3660 3.4322 3.8398 3.9099 3.9210 4.0514 4.0891 4.1108 4.1600 4.1674 4.1930 4.2899 4.4721 4.4888 4.5052 4.5280 4.6529 4.7229 5.0125 5.0786 5.4319 5.4383 7.4968 7.5124 7.7207 7.7410 8.6389 8.6838 9.1454 9.1893 k = 0.2777 0.6740 0.6273 ( 5603 PWs) bands (ev): -6.0164 -6.0085 -5.6480 -5.6398 -4.8790 -4.8786 -2.5858 -2.5749 1.2457 1.3446 1.5267 1.5558 1.7678 1.7807 2.0838 2.2877 2.4882 2.5005 2.9829 3.0286 3.1675 3.2280 3.3660 3.4322 3.8398 3.9099 3.9210 4.0514 4.0891 4.1108 4.1600 4.1674 4.1930 4.2899 4.4721 4.4888 4.5052 4.5280 4.6529 4.7229 5.0125 5.0786 5.4319 5.4383 7.4968 7.5124 7.7207 7.7410 8.6389 8.6838 9.1454 9.1893 k = 0.2843 0.6626 0.6088 ( 5599 PWs) bands (ev): -6.0727 -6.0649 -5.5991 -5.5907 -4.8974 -4.8969 -2.5586 -2.5437 1.2269 1.3547 1.5439 1.5682 1.7282 1.7618 2.1306 2.3264 2.4951 2.5015 2.9919 3.0271 3.1715 3.2385 3.3737 3.4324 3.8402 3.9029 3.9272 4.0549 4.0825 4.1130 4.1554 4.1679 4.1944 4.2908 4.4657 4.4833 4.5304 4.5431 4.6654 4.7330 5.0364 5.1071 5.4136 5.4151 7.4696 7.4844 7.7280 7.7470 8.6284 8.6751 9.1368 9.1769 k = 0.2908 0.6513 0.5904 ( 5607 PWs) bands (ev): -6.1299 -6.1223 -5.5512 -5.5426 -4.9167 -4.9160 -2.5281 -2.5090 1.2052 1.3618 1.5636 1.5828 1.6952 1.7480 2.1779 2.3642 2.4992 2.5026 3.0009 3.0259 3.1751 3.2496 3.3816 3.4322 3.8415 3.8945 3.9355 4.0585 4.0766 4.1145 4.1489 4.1713 4.1951 4.2916 4.4611 4.4773 4.5574 4.5604 4.6787 4.7437 5.0576 5.1334 5.3939 5.3990 7.4435 7.4573 7.7438 7.7618 8.6229 8.6714 9.1342 9.1704 k = 0.2974 0.6399 0.5719 ( 5602 PWs) bands (ev): -6.1874 -6.1799 -5.5050 -5.4962 -4.9367 -4.9359 -2.4944 -2.4711 1.1812 1.3647 1.5858 1.5972 1.6726 1.7396 2.2254 2.3977 2.5005 2.5065 3.0101 3.0250 3.1784 3.2608 3.3894 3.4316 3.8440 3.8856 3.9450 4.0619 4.0718 4.1154 4.1434 4.1750 4.1951 4.2926 4.4584 4.4726 4.5791 4.5845 4.6927 4.7550 5.0757 5.1576 5.3749 5.3886 7.4188 7.4314 7.7682 7.7853 8.6218 8.6721 9.1376 9.1697 k = 0.3039 0.6285 0.5535 ( 5606 PWs) bands (ev): -6.2447 -6.2374 -5.4607 -5.4518 -4.9574 -4.9565 -2.4575 -2.4300 1.1555 1.3621 1.6059 1.6100 1.6670 1.7367 2.2727 2.4211 2.4991 2.5190 3.0193 3.0245 3.1812 3.2718 3.3973 3.4305 3.8474 3.8767 3.9557 4.0634 4.0697 4.1157 4.1398 4.1786 4.1943 4.2935 4.4578 4.4692 4.5987 4.6110 4.7074 4.7667 5.0905 5.1797 5.3583 5.3829 7.3962 7.4072 7.8011 7.8172 8.6242 8.6766 9.1466 9.1741 k = 0.3104 0.6172 0.5350 ( 5610 PWs) bands (ev): -6.3015 -6.2944 -5.4187 -5.4097 -4.9787 -4.9776 -2.4177 -2.3859 1.1288 1.3539 1.6071 1.6356 1.6804 1.7387 2.3196 2.4299 2.4951 2.5442 3.0244 3.0286 3.1834 3.2824 3.4050 3.4291 3.8517 3.8680 3.9675 4.0611 4.0719 4.1155 4.1386 4.1819 4.1930 4.2946 4.4591 4.4673 4.6183 4.6362 4.7227 4.7790 5.1017 5.1997 5.3446 5.3825 7.3761 7.3851 7.8425 7.8575 8.6292 8.6838 9.1582 9.1768 k = 0.3170 0.6058 0.5166 ( 5602 PWs) bands (ev): -6.3577 -6.3507 -5.3791 -5.3700 -5.0004 -4.9993 -2.3752 -2.3390 1.1020 1.3407 1.6081 1.6620 1.7045 1.7457 2.3658 2.4277 2.4888 2.5787 3.0247 3.0378 3.1849 3.2924 3.4125 3.4274 3.8571 3.8596 3.9806 4.0578 4.0752 4.1150 4.1407 4.1848 4.1911 4.2958 4.4625 4.4671 4.6374 4.6599 4.7386 4.7921 5.1094 5.2172 5.3347 5.3878 7.3590 7.3653 7.8920 7.9058 8.6355 8.6926 9.1427 9.1434 k = 0.3235 0.5944 0.4981 ( 5602 PWs) bands (ev): -6.4130 -6.4062 -5.3420 -5.3328 -5.0225 -5.0212 -2.3302 -2.2896 1.0760 1.3244 1.6127 1.6878 1.7336 1.7578 2.4109 2.4196 2.4808 2.6174 3.0252 3.0467 3.1858 3.3014 3.4196 3.4255 3.8518 3.8630 3.9947 4.0544 4.0784 4.1141 4.1464 4.1870 4.1888 4.2974 4.4678 4.4687 4.6556 4.6812 4.7551 4.8061 5.1138 5.2308 5.3303 5.3990 7.3453 7.3481 7.9494 7.9619 8.6417 8.7017 9.0951 9.0962 k = 0.3300 0.5831 0.4797 ( 5602 PWs) bands (ev): -6.4672 -6.4606 -5.3075 -5.2982 -5.0448 -5.0435 -2.2828 -2.2379 1.0515 1.3069 1.6208 1.7114 1.7655 1.7757 2.4082 2.4502 2.4760 2.6580 3.0259 3.0551 3.1861 3.3093 3.4233 3.4263 3.8446 3.8695 4.0098 4.0510 4.0812 4.1130 4.1563 4.1858 4.1887 4.2995 4.4721 4.4750 4.6724 4.6999 4.7723 4.8214 5.1155 5.2386 5.3342 5.4159 7.3337 7.3355 8.0143 8.0254 8.6456 8.7092 9.0444 9.0457 k = 0.3366 0.5717 0.4612 ( 5606 PWs) bands (ev): -6.5202 -6.5138 -5.2756 -5.2663 -5.0673 -5.0658 -2.2335 -2.1843 1.0294 1.2901 1.6312 1.7317 1.7991 1.7995 2.3947 2.4526 2.5059 2.6993 3.0267 3.0629 3.1858 3.3160 3.4210 3.4322 3.8383 3.8762 4.0257 4.0475 4.0838 4.1117 4.1702 4.1824 4.1896 4.3024 4.4773 4.4837 4.6875 4.7154 4.7900 4.8381 5.1150 5.2393 5.3480 5.4385 7.3225 7.3297 8.0862 8.0958 8.6446 8.7130 8.9916 8.9934 k = 0.3431 0.5603 0.4428 ( 5612 PWs) bands (ev): -6.5719 -6.5657 -5.2463 -5.2371 -5.0897 -5.0883 -2.1826 -2.1291 1.0102 1.2753 1.6430 1.7488 1.8280 1.8341 2.3799 2.4403 2.5483 2.7410 3.0276 3.0698 3.1849 3.3215 3.4186 3.4374 3.8328 3.8828 4.0422 4.0438 4.0862 4.1103 4.1785 4.1864 4.1913 4.3066 4.4845 4.4936 4.7007 4.7278 4.8083 4.8565 5.1129 5.2348 5.3705 5.4665 7.3143 7.3285 8.1644 8.1727 8.6353 8.7103 8.9360 8.9399 k = 0.3497 0.5490 0.4243 ( 5616 PWs) bands (ev): -6.6221 -6.6161 -5.2196 -5.2104 -5.1121 -5.1106 -2.1303 -2.0727 0.9946 1.2634 1.6554 1.7638 1.8596 1.8697 2.3642 2.4259 2.5911 2.7829 3.0284 3.0759 3.1836 3.3257 3.4161 3.4416 3.8285 3.8894 4.0400 4.0588 4.0886 4.1088 4.1742 4.1876 4.2110 4.3126 4.4933 4.5047 4.7120 4.7372 4.8272 4.8765 5.1097 5.2271 5.3998 5.4996 7.3092 7.3320 8.2482 8.2554 8.6130 8.6967 8.8773 8.8865 k = 0.3562 0.5376 0.4059 ( 5608 PWs) bands (ev): -6.6708 -6.6650 -5.1955 -5.1863 -5.1343 -5.1327 -2.0772 -2.0156 0.9832 1.2554 1.6677 1.7772 1.8931 1.9055 2.3478 2.4106 2.6332 2.8246 3.0292 3.0808 3.1819 3.3287 3.4136 3.4448 3.8253 3.8956 4.0360 4.0750 4.0909 4.1073 4.1697 4.1856 4.2363 4.3211 4.5037 4.5165 4.7216 4.7440 4.8466 4.8981 5.1059 5.2177 5.4349 5.5375 7.3067 7.3402 8.3354 8.3431 8.5726 8.6641 8.8197 8.8366 k = 0.3627 0.5262 0.3874 ( 5612 PWs) bands (ev): -6.7178 -6.7122 -5.1740 -5.1647 -5.1562 -5.1543 -2.0236 -1.9584 0.9764 1.2518 1.6796 1.7894 1.9273 1.9411 2.3311 2.3947 2.6745 2.8661 3.0300 3.0848 3.1799 3.3307 3.4111 3.4470 3.8231 3.9015 4.0320 4.0897 4.0931 4.1061 4.1650 4.1827 4.2648 4.3325 4.5152 4.5287 4.7294 4.7486 4.8662 4.9214 5.1020 5.2073 5.4750 5.5800 7.3063 7.3532 8.4135 8.4330 8.5214 8.6023 8.7723 8.7935 k = 0.3693 0.5149 0.3690 ( 5610 PWs) bands (ev): -6.7631 -6.7577 -5.1779 -5.1767 -5.1537 -5.1452 -1.9700 -1.9015 0.9747 1.2530 1.6906 1.8003 1.9618 1.9761 2.3141 2.3786 2.7145 2.9071 3.0309 3.0877 3.1777 3.3319 3.4086 3.4480 3.8220 3.9071 4.0278 4.0953 4.0991 4.1082 4.1604 4.1790 4.2961 4.3478 4.5276 4.5412 4.7358 4.7513 4.8860 4.9464 5.0982 5.1963 5.5198 5.6267 7.3066 7.3705 8.3865 8.4742 8.5558 8.5588 8.7379 8.7581 k = 0.3758 0.5035 0.3505 ( 5606 PWs) bands (ev): -6.8065 -6.8014 -5.1990 -5.1976 -5.1366 -5.1281 -1.9168 -1.8455 0.9785 1.2594 1.7006 1.8102 1.9961 2.0100 2.2972 2.3628 2.7532 2.9471 3.0318 3.0898 3.1752 3.3324 3.4063 3.4480 3.8218 3.9122 4.0235 4.0973 4.0992 4.1170 4.1563 4.1745 4.3297 4.3673 4.5404 4.5539 4.7409 4.7526 4.9055 4.9734 5.0952 5.1850 5.5691 5.6774 7.3053 7.3912 8.2847 8.3638 8.6414 8.6512 8.7144 8.7291 k = 0.3823 0.4921 0.3321 ( 5614 PWs) bands (ev): -6.8481 -6.8431 -5.2195 -5.2181 -5.1214 -5.1131 -1.8645 -1.7909 0.9882 1.2714 1.7094 1.8189 2.0299 2.0425 2.2805 2.3474 2.7899 2.9855 3.0330 3.0912 3.1728 3.3324 3.4041 3.4471 3.8224 3.9168 4.0190 4.0969 4.0992 4.1242 4.1533 4.1695 4.3651 4.3912 4.5531 4.5666 4.7449 4.7527 4.9245 5.0023 5.0933 5.1737 5.6224 5.7317 7.2983 7.4134 8.1703 8.2253 8.6733 8.6980 8.7611 8.7616 k = 0.3889 0.4808 0.3136 ( 5620 PWs) bands (ev): -6.8877 -6.8830 -5.2394 -5.2380 -5.1080 -5.1000 -1.8136 -1.7383 1.0040 1.2890 1.7170 1.8266 2.0629 2.0730 2.2640 2.3330 2.8245 3.0214 3.0346 3.0926 3.1705 3.3322 3.4021 3.4453 3.8236 3.9210 4.0145 4.0939 4.1010 4.1279 4.1520 4.1640 4.4018 4.4190 4.5656 4.5796 4.7479 4.7521 4.9425 5.0332 5.0932 5.1625 5.6795 5.7894 7.2792 7.4323 8.0601 8.0814 8.6529 8.6754 8.8664 8.8703 k = 0.3954 0.4694 0.2952 ( 5626 PWs) bands (ev): -6.9253 -6.9208 -5.2585 -5.2572 -5.0964 -5.0887 -1.7644 -1.6882 1.0260 1.3123 1.7234 1.8334 2.0949 2.1009 2.2481 2.3201 2.8564 3.0367 3.0518 3.0963 3.1688 3.3318 3.4005 3.4428 3.8253 3.9245 4.0101 4.0902 4.1025 4.1282 4.1525 4.1582 4.4394 4.4498 4.5774 4.5933 4.7502 4.7510 4.9587 5.0658 5.0957 5.1521 5.7400 5.8499 7.2390 7.4370 7.9489 7.9684 8.6314 8.6539 8.9778 8.9832 k = 0.4019 0.4581 0.2767 ( 5606 PWs) bands (ev): -6.9608 -6.9566 -5.2769 -5.2756 -5.0863 -5.0789 -1.7174 -1.6410 1.0543 1.3413 1.7285 1.8393 2.1254 2.1256 2.2327 2.3094 2.8852 3.0398 3.0693 3.1091 3.1682 3.3314 3.3993 3.4398 3.8273 3.9272 4.0059 4.0860 4.1038 4.1267 4.1523 4.1535 4.4772 4.4818 4.5885 4.6086 4.7495 4.7520 4.9727 5.0980 5.1020 5.1448 5.8036 5.9130 7.1699 7.4057 7.8535 7.9069 8.6116 8.6348 9.0921 9.0983 k = 0.4085 0.4467 0.2583 ( 5604 PWs) bands (ev): -6.9942 -6.9902 -5.2944 -5.2932 -5.0777 -5.0707 -1.6728 -1.5970 1.0886 1.3758 1.7324 1.8446 2.1455 2.1549 2.2180 2.3020 2.9103 3.0438 3.0728 3.1295 3.1708 3.3308 3.3987 3.4365 3.8294 3.9289 4.0020 4.0811 4.1048 4.1245 4.1465 4.1541 4.5124 4.5145 4.5989 4.6271 4.7478 4.7531 4.9838 5.1127 5.1150 5.1555 5.8695 5.9780 7.0712 7.3186 7.8176 7.8787 8.5946 8.6187 9.2080 9.2148 k = 0.4150 0.4353 0.2398 ( 5600 PWs) bands (ev): -7.0255 -7.0218 -5.3110 -5.3098 -5.0703 -5.0637 -1.6309 -1.5566 1.1287 1.4155 1.7351 1.8494 2.1600 2.1825 2.2042 2.2989 2.9315 3.0491 3.0710 3.1442 3.1813 3.3301 3.3989 3.4331 3.8314 3.9292 3.9988 4.0757 4.1054 4.1223 4.1409 4.1541 4.5388 4.5499 4.6094 4.6503 4.7461 4.7538 4.9921 5.1103 5.1286 5.1908 5.9373 6.0444 6.9501 7.1880 7.8303 7.8786 8.5814 8.6063 9.3249 9.3317 k = 0.4216 0.4240 0.2214 ( 5608 PWs) bands (ev): -7.0545 -7.0511 -5.3266 -5.3255 -5.0641 -5.0579 -1.5920 -1.5200 1.1739 1.4598 1.7369 1.8540 2.1682 2.1907 2.2091 2.3009 2.9485 3.0557 3.0670 3.1496 3.1997 3.3291 3.4001 3.4300 3.8333 3.9278 3.9965 4.0700 4.1054 4.1202 4.1358 4.1534 4.5590 4.5804 4.6222 4.6785 4.7445 4.7541 4.9979 5.1015 5.1498 5.2331 6.0061 6.1116 6.8164 7.0380 7.8685 7.8979 8.5731 8.5986 9.4418 9.4482 k = 0.4281 0.4126 0.2029 ( 5616 PWs) bands (ev): -7.0814 -7.0782 -5.3411 -5.3401 -5.0588 -5.0531 -1.5560 -1.4872 1.2236 1.5080 1.7376 1.8587 2.1707 2.1788 2.2334 2.3075 2.9614 3.0616 3.0636 3.1515 3.2192 3.3277 3.4024 3.4274 3.8348 3.9245 3.9955 4.0643 4.1045 4.1181 4.1316 4.1522 4.5735 4.6002 4.6427 4.7099 4.7431 4.7540 5.0021 5.0921 5.1763 5.2784 6.0748 6.1787 6.6784 6.8827 7.9181 7.9294 8.5713 8.5966 9.5578 9.5633 k = 0.4346 0.4012 0.1845 ( 5622 PWs) bands (ev): -7.1060 -7.1031 -5.3546 -5.3536 -5.0545 -5.0492 -1.5232 -1.4583 1.2766 1.5592 1.7375 1.8638 2.1677 2.1690 2.2561 2.3171 2.9706 3.0551 3.0724 3.1528 3.2366 3.3256 3.4057 3.4257 3.8360 3.9192 3.9956 4.0585 4.1026 4.1160 4.1286 4.1506 4.5839 4.6098 4.6697 4.7411 4.7423 4.7537 5.0052 5.0830 5.2080 5.3257 6.1411 6.2447 6.5429 6.7292 7.9674 7.9713 8.5780 8.6017 9.6716 9.6754 k = 0.4412 0.3899 0.1660 ( 5626 PWs) bands (ev): -7.1283 -7.1257 -5.3669 -5.3660 -5.0509 -5.0461 -1.4936 -1.4333 1.3318 1.6124 1.7367 1.8696 2.1577 2.1649 2.2770 2.3281 2.9766 3.0476 3.0818 3.1541 3.2508 3.3229 3.4100 3.4251 3.8367 3.9122 3.9968 4.0530 4.0999 4.1139 4.1269 4.1488 4.5914 4.6148 4.6971 4.7419 4.7529 4.7707 5.0078 5.0743 5.2444 5.3743 6.1980 6.3078 6.4201 6.5823 8.0074 8.0228 8.5954 8.6154 9.7677 9.7701 k = 0.4477 0.3785 0.1476 ( 5628 PWs) bands (ev): -7.1483 -7.1459 -5.3780 -5.3772 -5.0479 -5.0436 -1.4670 -1.4119 1.3876 1.6659 1.7355 1.8765 2.1490 2.1598 2.2962 2.3393 2.9800 3.0394 3.0914 3.1556 3.2615 3.3196 3.4151 3.4259 3.8369 3.9038 3.9988 4.0477 4.0966 4.1116 4.1261 4.1468 4.5970 4.6174 4.7203 4.7448 4.7520 4.7959 5.0102 5.0662 5.2851 5.4232 6.2052 6.3521 6.3596 6.4523 8.0459 8.0687 8.6259 8.6392 9.7170 9.7206 k = 0.4542 0.3671 0.1291 ( 5634 PWs) bands (ev): -7.1660 -7.1639 -5.3879 -5.3871 -5.0455 -5.0417 -1.4434 -1.3942 1.4422 1.7154 1.7368 1.8849 2.1414 2.1544 2.3136 2.3499 2.9814 3.0305 3.1008 3.1572 3.2689 3.3156 3.4204 3.4279 3.8367 3.8945 4.0013 4.0428 4.0933 4.1092 4.1261 4.1447 4.6012 4.6186 4.7312 4.7508 4.7580 4.8165 5.0124 5.0587 5.3287 5.4716 6.1225 6.2982 6.3802 6.4416 8.0800 8.1059 8.6707 8.6742 9.6489 9.6587 k = 0.4608 0.3558 0.1107 ( 5630 PWs) bands (ev): -7.1813 -7.1795 -5.3965 -5.3959 -5.0435 -5.0403 -1.4228 -1.3798 1.4938 1.7264 1.7733 1.8949 2.1353 2.1495 2.3294 2.3595 2.9811 3.0212 3.1099 3.1589 3.2736 3.3113 3.4259 3.4309 3.8361 3.8846 4.0041 4.0384 4.0903 4.1065 4.1265 4.1427 4.6042 4.6188 4.7335 4.7494 4.7773 4.8325 5.0146 5.0519 5.3740 5.5186 6.0223 6.1843 6.4325 6.4902 8.1084 8.1338 8.7204 8.7296 9.5755 9.5937 k = 0.4673 0.3444 0.0922 ( 5626 PWs) bands (ev): -7.1943 -7.1928 -5.4038 -5.4033 -5.0420 -5.0392 -1.4050 -1.3687 1.5407 1.7231 1.8191 1.9065 2.1307 2.1451 2.3434 2.3679 2.9797 3.0117 3.1187 3.1602 3.2762 3.3066 3.4311 3.4344 3.8353 3.8746 4.0071 4.0345 4.0878 4.1037 4.1272 4.1408 4.6064 4.6182 4.7341 4.7478 4.7959 4.8441 5.0166 5.0458 5.4192 5.5631 5.9288 6.0800 6.4847 6.5360 8.1306 8.1530 8.7767 8.8001 9.4997 9.5286 k = 0.4739 0.3330 0.0738 ( 5626 PWs) bands (ev): -7.2049 -7.2037 -5.4098 -5.4094 -5.0407 -5.0385 -1.3899 -1.3605 1.5814 1.7182 1.8598 1.9191 2.1277 2.1415 2.3557 2.3749 2.9776 3.0023 3.1270 3.1609 3.2776 3.3017 3.4357 3.4379 3.8346 3.8649 4.0101 4.0310 4.0862 4.1006 4.1281 4.1390 4.6080 4.6171 4.7346 4.7461 4.8122 4.8520 5.0185 5.0405 5.4631 5.6046 5.8462 5.9891 6.5319 6.5750 8.1471 8.1653 8.8409 8.8788 9.4242 9.4654 k = 0.4804 0.3217 0.0553 ( 5632 PWs) bands (ev): -7.2131 -7.2122 -5.4145 -5.4142 -5.0398 -5.0381 -1.3774 -1.3552 1.6153 1.7118 1.8935 1.9311 2.1264 2.1384 2.3661 2.3803 2.9755 2.9935 3.1347 3.1608 3.2786 3.2968 3.4395 3.4410 3.8342 3.8562 4.0129 4.0280 4.0855 4.0974 4.1291 4.1373 4.6092 4.6157 4.7352 4.7442 4.8260 4.8564 5.0204 5.0359 5.5045 5.6426 5.7759 5.9122 6.5720 6.6054 8.1590 8.1726 8.9103 8.9617 9.3505 9.4043 k = 0.4869 0.3103 0.0369 ( 5630 PWs) bands (ev): -7.2189 -7.2184 -5.4179 -5.4177 -5.0390 -5.0379 -1.3675 -1.3526 1.6426 1.7038 1.9190 1.9408 2.1267 2.1358 2.3744 2.3838 2.9741 2.9859 3.1418 3.1595 3.2798 3.2922 3.4425 3.4434 3.8344 3.8486 4.0156 4.0253 4.0857 4.0943 4.1302 4.1356 4.6101 4.6143 4.7361 4.7423 4.8374 4.8578 5.0222 5.0321 5.5437 5.6751 5.7199 5.8489 6.6035 6.6263 8.1673 8.1763 8.9821 9.0442 9.2798 9.3439 k = 0.4935 0.2989 0.0184 ( 5630 PWs) bands (ev): -7.2224 -7.2221 -5.4199 -5.4198 -5.0385 -5.0379 -1.3601 -1.3526 1.6641 1.6937 1.9361 1.9460 2.1283 2.1332 2.3805 2.3852 2.9740 2.9799 3.1479 3.1569 3.2817 3.2880 3.4444 3.4448 3.8357 3.8427 4.0180 4.0228 4.0869 4.0914 4.1314 4.1341 4.6109 4.6130 4.7373 4.7404 4.8462 4.8565 5.0241 5.0289 5.5814 5.6605 5.7200 5.7975 6.6252 6.6368 8.1728 8.1772 9.0534 9.1173 9.2169 9.2822 k = 0.5000 0.2876-0.0000 ( 5626 PWs) bands (ev): -7.2234 -7.2234 -5.4205 -5.4205 -5.0381 -5.0381 -1.3551 -1.3551 1.6807 1.6807 1.9448 1.9448 2.1306 2.1306 2.3841 2.3841 2.9759 2.9759 3.1530 3.1530 3.2845 3.2845 3.4452 3.4452 3.8384 3.8384 4.0204 4.0204 4.0888 4.0888 4.1327 4.1327 4.6119 4.6119 4.7388 4.7388 4.8526 4.8526 5.0263 5.0263 5.6198 5.6198 5.7553 5.7553 6.6364 6.6364 8.1760 8.1760 9.1180 9.1180 9.2208 9.2208 k = 0.5000 0.2876-0.0000 ( 5626 PWs) bands (ev): -7.2234 -7.2234 -5.4205 -5.4205 -5.0381 -5.0381 -1.3551 -1.3551 1.6807 1.6807 1.9448 1.9448 2.1306 2.1306 2.3841 2.3841 2.9759 2.9759 3.1530 3.1530 3.2845 3.2845 3.4452 3.4452 3.8384 3.8384 4.0204 4.0204 4.0888 4.0888 4.1327 4.1327 4.6119 4.6119 4.7388 4.7388 4.8526 4.8526 5.0263 5.0263 5.6198 5.6198 5.7553 5.7553 6.6364 6.6364 8.1760 8.1760 9.1180 9.1180 9.2208 9.2208 k = 0.4800 0.2761-0.0000 ( 5626 PWs) bands (ev): -7.2240 -7.2240 -5.4197 -5.4192 -5.0380 -5.0373 -1.3571 -1.3552 1.6773 1.6776 1.9280 1.9604 2.1239 2.1314 2.3805 2.3996 2.9675 2.9841 3.1528 3.1536 3.2807 3.2858 3.4428 3.4462 3.8396 3.8406 4.0198 4.0212 4.0867 4.0909 4.1310 4.1345 4.5943 4.6242 4.7211 4.7595 4.8179 4.8633 5.0081 5.0740 5.6179 5.6212 5.7537 5.7559 6.6364 6.6366 8.1789 8.1886 9.1161 9.1222 9.2204 9.2222 k = 0.4600 0.2646-0.0000 ( 5628 PWs) bands (ev): -7.2257 -7.2256 -5.4169 -5.4160 -5.0370 -5.0357 -1.3611 -1.3575 1.6668 1.6689 1.9123 1.9728 2.1113 2.1267 2.3898 2.4245 2.9584 2.9922 3.1526 3.1541 3.2742 3.2851 3.4392 3.4459 3.8441 3.8459 4.0192 4.0220 4.0845 4.0929 4.1292 4.1364 4.5744 4.6246 4.7128 4.7782 4.7806 4.8359 5.0334 5.1326 5.6156 5.6220 5.7513 5.7560 6.6365 6.6369 8.1970 8.2160 9.1164 9.1286 9.2211 9.2246 k = 0.4400 0.2531-0.0000 ( 5634 PWs) bands (ev): -7.2284 -7.2283 -5.4121 -5.4108 -5.0351 -5.0332 -1.3672 -1.3618 1.6500 1.6558 1.8988 1.9806 2.0940 2.1173 2.4113 2.4562 2.9481 3.0005 3.1527 3.1546 3.2645 3.2828 3.4349 3.4443 3.8519 3.8538 4.0186 4.0229 4.0821 4.0950 4.1272 4.1384 4.5532 4.6089 4.7106 4.7472 4.7835 4.8089 5.0820 5.1961 5.6129 5.6222 5.7480 5.7556 6.6368 6.6374 8.2292 8.2574 9.1191 9.1373 9.2228 9.2279 k = 0.4200 0.2416-0.0000 ( 5622 PWs) bands (ev): -7.2321 -7.2320 -5.4055 -5.4037 -5.0323 -5.0299 -1.3753 -1.3682 1.6283 1.6395 1.8879 1.9835 2.0736 2.1040 2.4428 2.4921 2.9362 3.0092 3.1530 3.1550 3.2514 3.2791 3.4303 3.4419 3.8626 3.8639 4.0182 4.0239 4.0798 4.0972 4.1251 4.1407 4.5312 4.5832 4.6825 4.7348 4.7536 4.8300 5.1399 5.2624 5.6099 5.6215 5.7443 5.7555 6.6372 6.6380 8.2739 8.3106 9.1244 9.1482 9.2256 9.2320 k = 0.4000 0.2301-0.0000 ( 5602 PWs) bands (ev): -7.2367 -7.2366 -5.3973 -5.3950 -5.0286 -5.0256 -1.3852 -1.3767 1.6036 1.6213 1.8788 1.9807 2.0527 2.0876 2.4814 2.5301 2.9220 3.0182 3.1536 3.1548 3.2350 3.2744 3.4259 3.4390 3.8755 3.8757 4.0178 4.0251 4.0776 4.0996 4.1230 4.1434 4.5086 4.5533 4.6431 4.6827 4.7784 4.8560 5.2024 5.3304 5.6067 5.6197 5.7405 5.7561 6.6380 6.6388 8.3287 8.3734 9.1322 9.1611 9.2292 9.2366 k = 0.3800 0.2185-0.0000 ( 5614 PWs) bands (ev): -7.2422 -7.2421 -5.3875 -5.3849 -5.0241 -5.0205 -1.3969 -1.3871 1.5779 1.6022 1.8705 1.9704 2.0347 2.0690 2.5242 2.5682 2.9052 3.0275 3.1532 3.1544 3.2163 3.2689 3.4219 3.4356 3.8878 3.8906 4.0174 4.0263 4.0757 4.1021 4.1206 4.1463 4.4857 4.5222 4.6026 4.6314 4.8098 4.8849 5.2676 5.3982 5.6040 5.6166 5.7371 5.7584 6.6390 6.6398 8.3905 8.4423 9.1427 9.1756 9.2337 9.2413 k = 0.3600 0.2070-0.0000 ( 5614 PWs) bands (ev): -7.2484 -7.2482 -5.3766 -5.3735 -5.0186 -5.0145 -1.4103 -1.3993 1.5528 1.5833 1.8619 1.9512 2.0229 2.0492 2.5684 2.6047 2.8859 3.0373 3.1478 3.1555 3.1981 3.2630 3.4186 3.4323 3.9001 3.9068 4.0171 4.0277 4.0743 4.1048 4.1184 4.1496 4.4626 4.4914 4.5627 4.5820 4.8461 4.9173 5.3340 5.4625 5.6047 5.6125 5.7349 5.7629 6.6403 6.6411 8.4556 8.5136 9.1558 9.1907 9.2389 9.2456 k = 0.3400 0.1955-0.0000 ( 5612 PWs) bands (ev): -7.2552 -7.2550 -5.3646 -5.3612 -5.0122 -5.0076 -1.4251 -1.4132 1.5294 1.5654 1.8522 1.9249 2.0166 2.0293 2.6110 2.6375 2.8648 3.0477 3.1344 3.1569 3.1854 3.2571 3.4160 3.4291 3.9117 3.9237 4.0168 4.0293 4.0737 4.1075 4.1165 4.1533 4.4395 4.4616 4.5241 4.5356 4.8870 4.9532 5.3998 5.5124 5.6081 5.6180 5.7351 5.7707 6.6420 6.6427 8.5195 8.5825 9.1707 9.2049 9.2448 9.2489 k = 0.3200 0.1840-0.0000 ( 5602 PWs) bands (ev): -7.2624 -7.2622 -5.3519 -5.3482 -5.0049 -4.9999 -1.4413 -1.4287 1.5085 1.5490 1.8405 1.8949 2.0105 2.0134 2.6476 2.6645 2.8446 3.0585 3.1131 3.1586 3.1800 3.2513 3.4141 3.4262 3.9221 3.9406 4.0166 4.0310 4.0741 4.1090 4.1165 4.1573 4.4159 4.4333 4.4874 4.4933 4.9322 4.9925 5.4612 5.5328 5.6063 5.6560 5.7409 5.7826 6.6442 6.6448 8.5775 8.6441 9.1862 9.2148 9.2512 9.2515 k = 0.3000 0.1725-0.0000 ( 5602 PWs) bands (ev): -7.2700 -7.2698 -5.3388 -5.3348 -4.9967 -4.9914 -1.4586 -1.4454 1.4908 1.5347 1.8263 1.8635 1.9938 2.0119 2.6702 2.6832 2.8320 3.0691 3.0901 3.1607 3.1785 3.2460 3.4127 3.4236 3.9306 3.9569 4.0164 4.0328 4.0757 4.1081 4.1193 4.1616 4.3912 4.4069 4.4530 4.4563 4.9814 5.0348 5.5083 5.5322 5.6159 5.6981 5.7644 5.7999 6.6469 6.6473 8.6246 8.6932 9.2000 9.2164 9.2552 9.2592 k = 0.2800 0.1610-0.0000 ( 5600 PWs) bands (ev): -7.2778 -7.2776 -5.3255 -5.3213 -4.9876 -4.9821 -1.4767 -1.4633 1.4763 1.5226 1.8099 1.8322 1.9795 2.0116 2.6687 2.6911 2.8363 3.0626 3.0869 3.1632 3.1787 3.2413 3.4117 3.4214 3.9371 3.9721 4.0164 4.0345 4.0786 4.1062 4.1238 4.1661 4.3649 4.3825 4.4212 4.4257 5.0340 5.0793 5.5237 5.5273 5.6496 5.7190 5.8180 5.8243 6.6503 6.6504 8.6569 8.7249 9.2095 9.2100 9.2620 9.2677 k = 0.2600 0.1495-0.0000 ( 5600 PWs) bands (ev): -7.2856 -7.2854 -5.3124 -5.3080 -4.9778 -4.9721 -1.4954 -1.4820 1.4652 1.5127 1.7917 1.8021 1.9679 2.0122 2.6436 2.6860 2.8568 3.0456 3.1002 3.1661 3.1796 3.2373 3.4111 3.4195 3.9417 3.9855 4.0167 4.0362 4.0823 4.1043 4.1292 4.1707 4.3374 4.3604 4.3924 4.4012 5.0892 5.1251 5.5119 5.5256 5.6980 5.7317 5.8579 5.8846 6.6541 6.6543 8.6711 8.7346 9.2003 9.2164 9.2697 9.2765 k = 0.2400 0.1380-0.0000 ( 5594 PWs) bands (ev): -7.2934 -7.2932 -5.2995 -5.2951 -4.9673 -4.9615 -1.5145 -1.5012 1.4573 1.5050 1.7730 1.7742 1.9585 2.0135 2.6039 2.6674 2.8840 3.0337 3.1155 3.1696 3.1809 3.2340 3.4108 3.4179 3.9447 3.9965 4.0176 4.0379 4.0866 4.1025 4.1351 4.1755 4.3103 4.3404 4.3666 4.3816 5.1455 5.1706 5.4985 5.5164 5.7454 5.7471 5.9024 5.9538 6.6585 6.6592 8.6654 8.7196 9.1953 9.2210 9.2772 9.2849 k = 0.2200 0.1265-0.0000 ( 5594 PWs) bands (ev): -7.3011 -7.3009 -5.2872 -5.2828 -4.9563 -4.9506 -1.5335 -1.5207 1.4522 1.4988 1.7496 1.7550 1.9508 2.0156 2.5562 2.6368 2.9119 3.0273 3.1317 3.1736 3.1824 3.2315 3.4106 3.4165 3.9466 4.0039 4.0202 4.0395 4.0911 4.1009 4.1413 4.1800 4.2851 4.3223 4.3442 4.3655 5.2013 5.2144 5.4843 5.5045 5.7632 5.7930 5.9576 6.0228 6.6636 6.6649 8.6394 8.6798 9.1978 9.2265 9.2841 9.2927 k = 0.2000 0.1150-0.0000 ( 5594 PWs) bands (ev): -7.3084 -7.3083 -5.2756 -5.2714 -4.9450 -4.9394 -1.5523 -1.5401 1.4494 1.4935 1.7295 1.7393 1.9443 2.0184 2.5034 2.5968 2.9376 3.0249 3.1483 3.1781 3.1841 3.2299 3.4106 3.4155 3.9477 4.0070 4.0249 4.0410 4.0952 4.0997 4.1475 4.1842 4.2629 4.3057 4.3257 4.3519 5.2542 5.2548 5.4701 5.4920 5.7864 5.8364 6.0210 6.0905 6.6694 6.6716 8.5941 8.6188 9.2079 9.2345 9.2903 9.3001 k = 0.1800 0.1035-0.0000 ( 5600 PWs) bands (ev): -7.3154 -7.3152 -5.2649 -5.2609 -4.9336 -4.9282 -1.5705 -1.5590 1.4479 1.4882 1.7150 1.7275 1.9385 2.0220 2.4473 2.5504 2.9600 3.0249 3.1643 3.1829 3.1863 3.2294 3.4106 3.4146 3.9485 4.0073 4.0304 4.0425 4.0987 4.0988 4.1531 4.1877 4.2443 4.2898 4.3114 4.3403 5.2906 5.3021 5.4562 5.4798 5.8160 5.8788 6.0901 6.1566 6.6761 6.6793 8.5320 8.5413 9.2236 9.2456 9.2959 9.3073 k = 0.1600 0.0920-0.0000 ( 5606 PWs) bands (ev): -7.3219 -7.3217 -5.2552 -5.2514 -4.9222 -4.9172 -1.5878 -1.5772 1.4469 1.4822 1.7070 1.7208 1.9330 2.0266 2.3893 2.5001 2.9788 3.0261 3.1776 3.1874 3.1906 3.2302 3.4108 3.4139 3.9493 4.0061 4.0353 4.0439 4.0983 4.1016 4.1574 4.1903 4.2299 4.2749 4.3011 4.3304 5.3206 5.3427 5.4435 5.4689 5.8519 5.9205 6.1633 6.2211 6.6834 6.6880 8.4523 8.4565 9.2430 9.2589 9.3008 9.3148 k = 0.1400 0.0805-0.0000 ( 5600 PWs) bands (ev): -7.3278 -7.3277 -5.2465 -5.2431 -4.9113 -4.9067 -1.6038 -1.5943 1.4456 1.4750 1.7059 1.7204 1.9276 2.0322 2.3302 2.4478 2.9940 3.0279 3.1842 3.1911 3.2005 3.2325 3.4109 3.4134 3.9503 4.0039 4.0393 4.0451 4.0984 4.1038 4.1596 4.1913 4.2204 4.2619 4.2940 4.3220 5.3441 5.3742 5.4332 5.4603 5.8929 5.9606 6.2394 6.2843 6.6915 6.6977 8.3561 8.3711 9.2643 9.2730 9.3050 9.3232 k = 0.1200 0.0690-0.0000 ( 5608 PWs) bands (ev): -7.3331 -7.3330 -5.2389 -5.2359 -4.9011 -4.8970 -1.6183 -1.6099 1.4434 1.4668 1.7113 1.7269 1.9221 2.0391 2.2709 2.3952 3.0059 3.0297 3.1868 3.1938 3.2128 3.2360 3.4111 3.4130 3.9517 4.0008 4.0426 4.0464 4.0989 4.1054 4.1593 4.1902 4.2157 4.2513 4.2893 4.3147 5.3605 5.3928 5.4294 5.4549 5.9363 5.9977 6.3170 6.3466 6.7002 6.7081 8.2569 8.2798 9.2859 9.2863 9.3086 9.3331 k = 0.1000 0.0575-0.0000 ( 5605 PWs) bands (ev): -7.3377 -7.3376 -5.2324 -5.2298 -4.8919 -4.8884 -1.6310 -1.6239 1.4403 1.4582 1.7224 1.7400 1.9164 2.0476 2.2122 2.3437 3.0151 3.0314 3.1885 3.1954 3.2243 3.2405 3.4113 3.4127 3.9537 3.9969 4.0452 4.0474 4.1000 4.1066 4.1573 4.1869 4.2150 4.2436 4.2865 4.3086 5.3701 5.3950 5.4368 5.4533 5.9789 6.0303 6.3936 6.4077 6.7095 6.7192 8.1589 8.1864 9.2961 9.3073 9.3121 9.3447 k = 0.0800 0.0460-0.0000 ( 5601 PWs) bands (ev): -7.3415 -7.3414 -5.2271 -5.2249 -4.8838 -4.8810 -1.6416 -1.6358 1.4368 1.4498 1.7376 1.7587 1.9111 2.0579 2.1553 2.2944 3.0219 3.0328 3.1900 3.1961 3.2341 3.2451 3.4114 3.4125 3.9562 3.9924 4.0471 4.0484 4.1015 4.1074 4.1549 4.1815 4.2166 4.2384 4.2852 4.3034 5.3740 5.3898 5.4475 5.4550 6.0175 6.0575 6.4658 6.4663 6.7197 6.7307 8.0667 8.0957 9.3035 9.3133 9.3287 9.3569 k = 0.0600 0.0345-0.0000 ( 5601 PWs) bands (ev): -7.3445 -7.3445 -5.2228 -5.2212 -4.8772 -4.8750 -1.6499 -1.6455 1.4334 1.4423 1.7555 1.7803 1.9075 2.0684 2.1029 2.2484 3.0269 3.0338 3.1913 3.1962 3.2421 3.2492 3.4116 3.4123 3.9593 3.9874 4.0486 4.0492 4.1033 4.1079 4.1531 4.1749 4.2193 4.2350 4.2850 4.2989 5.3746 5.3840 5.4560 5.4584 6.0497 6.0784 6.5197 6.5283 6.7310 6.7422 7.9859 8.0126 9.3086 9.3150 9.3465 9.3678 k = 0.0400 0.0230-0.0000 ( 5609 PWs) bands (ev): -7.3467 -7.3467 -5.2197 -5.2187 -4.8723 -4.8708 -1.6558 -1.6528 1.4308 1.4363 1.7742 1.7995 1.9099 2.0430 2.0930 2.2066 3.0303 3.0344 3.1924 3.1958 3.2480 3.2523 3.4117 3.4122 3.9630 3.9822 4.0495 4.0497 4.1050 4.1081 4.1526 4.1682 4.2223 4.2324 4.2858 4.2951 5.3739 5.3791 5.4616 5.4619 6.0743 6.0925 6.5636 6.5749 6.7436 6.7530 7.9227 7.9436 9.3120 9.3159 9.3613 9.3757 k = 0.0200 0.0115-0.0000 ( 5611 PWs) bands (ev): -7.3480 -7.3480 -5.2178 -5.2172 -4.8691 -4.8684 -1.6590 -1.6576 1.4295 1.4322 1.7915 1.8086 1.9252 1.9966 2.1126 2.1698 3.0326 3.0344 3.1934 3.1952 3.2519 3.2539 3.4118 3.4120 3.9672 3.9769 4.0501 4.0501 4.1065 4.1081 4.1540 4.1621 4.2251 4.2301 4.2873 4.2920 5.3735 5.3758 5.4644 5.4647 6.0907 6.0995 6.5936 6.6012 6.7555 6.7608 7.8839 7.8954 9.3143 9.3161 9.3720 9.3793 k = 0.0000 0.0000 0.0000 ( 5601 PWs) bands (ev): -7.3484 -7.3484 -5.2169 -5.2169 -4.8678 -4.8678 -1.6596 -1.6596 1.4299 1.4299 1.8044 1.8044 1.9556 1.9556 2.1384 2.1384 3.0339 3.0339 3.1944 3.1944 3.2538 3.2538 3.4119 3.4119 3.9719 3.9719 4.0503 4.0503 4.1076 4.1076 4.1572 4.1572 4.2278 4.2278 4.2894 4.2894 5.3739 5.3739 5.4655 5.4655 6.0990 6.0990 6.6068 6.6068 6.7622 6.7622 7.8744 7.8744 9.3156 9.3156 9.3781 9.3781 k = 0.0000 0.0000 0.0000 ( 5601 PWs) bands (ev): -7.3484 -7.3484 -5.2169 -5.2169 -4.8678 -4.8678 -1.6596 -1.6596 1.4299 1.4299 1.8044 1.8044 1.9556 1.9556 2.1384 2.1384 3.0339 3.0339 3.1944 3.1944 3.2538 3.2538 3.4119 3.4119 3.9719 3.9719 4.0503 4.0503 4.1076 4.1076 4.1572 4.1572 4.2278 4.2278 4.2894 4.2894 5.3739 5.3739 5.4655 5.4655 6.0990 6.0990 6.6068 6.6068 6.7622 6.7622 7.8744 7.8744 9.3156 9.3156 9.3781 9.3781 k = 0.0092-0.0161 0.0132 ( 5605 PWs) bands (ev): -7.3478 -7.3478 -5.2182 -5.2182 -4.8681 -4.8681 -1.6584 -1.6584 1.4209 1.4211 1.8079 1.8083 1.9616 1.9617 2.1411 2.1412 3.0331 3.0331 3.1939 3.1939 3.2539 3.2539 3.4115 3.4115 3.9714 3.9715 4.0502 4.0503 4.1072 4.1073 4.1575 4.1576 4.2278 4.2279 4.2918 4.2920 5.3746 5.3746 5.4616 5.4616 6.0981 6.0981 6.6026 6.6026 6.7579 6.7580 7.8819 7.8819 9.3205 9.3205 9.3819 9.3819 k = 0.0185-0.0321 0.0263 ( 5609 PWs) bands (ev): -7.3459 -7.3459 -5.2218 -5.2218 -4.8693 -4.8693 -1.6548 -1.6548 1.3962 1.3965 1.8171 1.8177 1.9790 1.9792 2.1495 2.1497 3.0306 3.0307 3.1922 3.1923 3.2539 3.2540 3.4102 3.4102 3.9700 3.9701 4.0500 4.0500 4.1062 4.1063 4.1584 4.1587 4.2281 4.2283 4.2994 4.2997 5.3760 5.3761 5.4506 5.4506 6.0954 6.0954 6.5902 6.5903 6.7454 6.7454 7.9038 7.9038 9.3348 9.3348 9.3932 9.3932 k = 0.0277-0.0482 0.0395 ( 5601 PWs) bands (ev): -7.3428 -7.3428 -5.2279 -5.2279 -4.8711 -4.8711 -1.6487 -1.6487 1.3603 1.3606 1.8289 1.8296 2.0053 2.0055 2.1645 2.1649 3.0264 3.0265 3.1896 3.1897 3.2542 3.2543 3.4080 3.4080 3.9678 3.9679 4.0495 4.0495 4.1047 4.1048 4.1599 4.1603 4.2290 4.2294 4.3118 4.3121 5.3762 5.3762 5.4349 5.4350 6.0907 6.0908 6.5707 6.5708 6.7250 6.7250 7.9389 7.9389 9.3582 9.3582 9.4116 9.4116 k = 0.0370-0.0643 0.0527 ( 5609 PWs) bands (ev): -7.3384 -7.3384 -5.2362 -5.2362 -4.8737 -4.8737 -1.6403 -1.6403 1.3175 1.3179 1.8414 1.8420 2.0364 2.0367 2.1878 2.1882 3.0202 3.0203 3.1860 3.1861 3.2546 3.2547 3.4050 3.4050 3.9648 3.9650 4.0488 4.0488 4.1029 4.1030 4.1616 4.1620 4.2309 4.2313 4.3284 4.3288 5.3678 5.3679 5.4225 5.4226 6.0838 6.0839 6.5455 6.5456 6.6974 6.6975 7.9852 7.9852 9.3899 9.3899 9.4367 9.4367 k = 0.0462-0.0803 0.0659 ( 5610 PWs) bands (ev): -7.3328 -7.3328 -5.2468 -5.2468 -4.8771 -4.8771 -1.6296 -1.6296 1.2710 1.2714 1.8539 1.8545 2.0682 2.0686 2.2205 2.2210 3.0116 3.0118 3.1817 3.1819 3.2554 3.2556 3.4012 3.4013 3.9614 3.9616 4.0477 4.0478 4.1009 4.1010 4.1633 4.1637 4.2338 4.2343 4.3494 4.3498 5.3430 5.3430 5.4223 5.4224 6.0743 6.0744 6.5162 6.5164 6.6635 6.6636 8.0404 8.0405 9.4288 9.4288 9.4681 9.4681 k = 0.0554-0.0964 0.0790 ( 5610 PWs) bands (ev): -7.3260 -7.3260 -5.2594 -5.2594 -4.8812 -4.8812 -1.6167 -1.6166 1.2230 1.2233 1.8664 1.8669 2.0987 2.0991 2.2622 2.2628 3.0004 3.0006 3.1770 3.1772 3.2566 3.2567 3.3967 3.3968 3.9576 3.9579 4.0464 4.0465 4.0991 4.0992 4.1649 4.1652 4.2380 4.2385 4.3745 4.3749 5.3059 5.3059 5.4309 5.4310 6.0615 6.0616 6.4846 6.4848 6.6242 6.6243 8.1023 8.1023 9.4733 9.4733 9.5054 9.5054 k = 0.0647-0.1125 0.0922 ( 5610 PWs) bands (ev): -7.3181 -7.3181 -5.2739 -5.2739 -4.8860 -4.8860 -1.6016 -1.6016 1.1749 1.1751 1.8788 1.8792 2.1280 2.1285 2.3110 2.3116 2.9863 2.9865 3.1720 3.1723 3.2581 3.2583 3.3915 3.3916 3.9537 3.9540 4.0446 4.0448 4.0976 4.0977 4.1659 4.1663 4.2434 4.2439 4.4038 4.4041 5.2619 5.2619 5.4441 5.4441 6.0448 6.0449 6.4523 6.4524 6.5805 6.5806 8.1683 8.1684 9.5211 9.5211 9.5489 9.5490 k = 0.0739-0.1285 0.1054 ( 5606 PWs) bands (ev): -7.3092 -7.3092 -5.2902 -5.2902 -4.8916 -4.8916 -1.5846 -1.5846 1.1276 1.1279 1.8910 1.8914 2.1575 2.1580 2.3643 2.3648 2.9688 2.9690 3.1672 3.1675 3.2601 3.2603 3.3857 3.3858 3.9497 3.9500 4.0426 4.0428 4.0965 4.0966 4.1666 4.1668 4.2499 4.2504 4.4371 4.4373 5.2136 5.2136 5.4602 5.4603 6.0234 6.0236 6.4206 6.4208 6.5336 6.5337 8.2362 8.2362 9.5688 9.5688 9.5995 9.5996 k = 0.0832-0.1446 0.1186 ( 5600 PWs) bands (ev): -7.2992 -7.2992 -5.3079 -5.3079 -4.8979 -4.8979 -1.5657 -1.5657 1.0818 1.0821 1.9030 1.9033 2.1882 2.1887 2.4197 2.4201 2.9478 2.9481 3.1628 3.1631 3.2625 3.2627 3.3793 3.3794 3.9457 3.9460 4.0403 4.0405 4.0959 4.0960 4.1668 4.1670 4.2573 4.2578 4.4745 4.4747 5.1625 5.1625 5.4789 5.4789 5.9967 5.9968 6.3904 6.3907 6.4848 6.4849 8.3035 8.3035 9.6147 9.6147 9.6564 9.6564 k = 0.0924-0.1607 0.1317 ( 5596 PWs) bands (ev): -7.2883 -7.2883 -5.3269 -5.3269 -4.9050 -4.9050 -1.5450 -1.5450 1.0382 1.0384 1.9145 1.9147 2.2210 2.2215 2.4756 2.4760 2.9233 2.9237 3.1589 3.1592 3.2653 3.2655 3.3725 3.3725 3.9418 3.9420 4.0378 4.0380 4.0957 4.0958 4.1666 4.1668 4.2655 4.2659 4.5158 4.5160 5.1098 5.1098 5.4998 5.4998 5.9643 5.9644 6.3614 6.3617 6.4361 6.4363 8.3681 8.3681 9.6581 9.6582 9.7170 9.7170 k = 0.1016-0.1767 0.1449 ( 5588 PWs) bands (ev): -7.2766 -7.2766 -5.3470 -5.3470 -4.9128 -4.9128 -1.5228 -1.5227 0.9970 0.9972 1.9255 1.9257 2.2559 2.2564 2.5307 2.5309 2.8955 2.8959 3.1556 3.1559 3.2685 3.2687 3.3653 3.3653 3.9380 3.9383 4.0352 4.0355 4.0960 4.0961 4.1660 4.1662 4.2743 4.2747 4.5610 4.5611 5.0566 5.0566 5.5227 5.5228 5.9264 5.9266 6.3305 6.3309 6.3917 6.3918 8.4278 8.4279 9.6973 9.6974 9.7789 9.7790 k = 0.1109-0.1928 0.1581 ( 5592 PWs) bands (ev): -7.2641 -7.2641 -5.3678 -5.3678 -4.9213 -4.9213 -1.4990 -1.4990 0.9585 0.9587 1.9359 1.9360 2.2931 2.2935 2.5836 2.5838 2.8648 2.8653 3.1529 3.1532 3.2720 3.2722 3.3576 3.3577 3.9344 3.9346 4.0327 4.0330 4.0967 4.0967 4.1653 4.1654 4.2837 4.2840 4.6095 4.6095 5.0039 5.0039 5.5475 5.5476 5.8838 5.8839 6.2918 6.2921 6.3579 6.3580 8.4809 8.4810 9.7291 9.7292 9.8390 9.8390 k = 0.1201-0.2089 0.1712 ( 5592 PWs) bands (ev): -7.2510 -7.2510 -5.3892 -5.3892 -4.9306 -4.9306 -1.4740 -1.4740 0.9231 0.9233 1.9456 1.9457 2.3321 2.3325 2.6328 2.6329 2.8328 2.8334 3.1508 3.1511 3.2759 3.2761 3.3498 3.3498 3.9310 3.9313 4.0304 4.0307 4.0976 4.0976 4.1643 4.1645 4.2934 4.2938 4.6606 4.6607 4.9530 4.9530 5.5739 5.5740 5.8374 5.8375 6.2446 6.2448 6.3354 6.3355 8.5260 8.5261 9.7489 9.7490 9.8868 9.8868 k = 0.1294-0.2249 0.1844 ( 5608 PWs) bands (ev): -7.2374 -7.2374 -5.4107 -5.4107 -4.9406 -4.9405 -1.4479 -1.4478 0.8908 0.8910 1.9547 1.9548 2.3722 2.3727 2.6740 2.6744 2.8034 2.8043 3.1493 3.1496 3.2800 3.2802 3.3418 3.3418 3.9279 3.9281 4.0283 4.0285 4.0987 4.0987 4.1632 4.1634 4.3035 4.3038 4.7125 4.7126 4.9058 4.9059 5.6016 5.6017 5.7886 5.7887 6.1935 6.1937 6.3196 6.3196 8.5624 8.5624 9.7520 9.7520 9.9178 9.9178 k = 0.1386-0.2410 0.1976 ( 5612 PWs) bands (ev): -7.2234 -7.2234 -5.4323 -5.4323 -4.9512 -4.9512 -1.4208 -1.4207 0.8618 0.8620 1.9631 1.9632 2.4124 2.4129 2.6940 2.6948 2.7910 2.7924 3.1483 3.1486 3.2843 3.2845 3.3337 3.3337 3.9250 3.9253 4.0265 4.0268 4.1000 4.1000 4.1620 4.1622 4.3138 4.3141 4.7579 4.7583 4.8696 4.8699 5.6296 5.6298 5.7397 5.7398 6.1414 6.1416 6.3070 6.3070 8.5898 8.5899 9.7341 9.7341 9.9479 9.9480 k = 0.1479-0.2571 0.2108 ( 5612 PWs) bands (ev): -7.2092 -7.2092 -5.4534 -5.4534 -4.9626 -4.9625 -1.3929 -1.3929 0.8364 0.8365 1.9708 1.9709 2.4501 2.4506 2.6806 2.6811 2.8107 2.8118 3.1478 3.1481 3.2888 3.2890 3.3258 3.3258 3.9226 3.9228 4.0252 4.0254 4.1014 4.1015 4.1609 4.1611 4.3242 4.3244 4.7686 4.7690 4.8724 4.8727 5.6501 5.6505 5.6997 5.7000 6.0898 6.0899 6.2961 6.2962 8.6089 8.6089 9.6945 9.6946 9.9796 9.9798 k = 0.1571-0.2731 0.2239 ( 5602 PWs) bands (ev): -7.1949 -7.1949 -5.4740 -5.4739 -4.9745 -4.9745 -1.3645 -1.3644 0.8144 0.8146 1.9777 1.9778 2.4792 2.4798 2.6568 2.6570 2.8446 2.8455 3.1477 3.1481 3.2930 3.2931 3.3184 3.3185 3.9205 3.9208 4.0242 4.0244 4.1030 4.1030 4.1598 4.1600 4.3342 4.3344 4.7412 4.7416 4.9167 4.9169 5.6268 5.6272 5.7070 5.7073 6.0393 6.0394 6.2861 6.2862 8.6204 8.6204 9.6364 9.6365 10.0116 10.0118 k = 0.1663-0.2892 0.2371 ( 5594 PWs) bands (ev): -7.1807 -7.1807 -5.4935 -5.4935 -4.9871 -4.9871 -1.3356 -1.3356 0.7961 0.7963 1.9839 1.9839 2.4870 2.4877 2.6475 2.6476 2.8804 2.8811 3.1482 3.1485 3.2955 3.2957 3.3127 3.3130 3.9188 3.9191 4.0236 4.0239 4.1046 4.1047 4.1587 4.1589 4.3436 4.3437 4.7071 4.7073 4.9691 4.9693 5.5861 5.5863 5.7377 5.7379 5.9904 5.9905 6.2763 6.2763 8.6254 8.6255 9.5644 9.5644 10.0407 10.0409 k = 0.1756-0.3053 0.2503 ( 5590 PWs) bands (ev): -7.1668 -7.1668 -5.5118 -5.5118 -5.0003 -5.0003 -1.3066 -1.3066 0.7816 0.7817 1.9891 1.9891 2.4652 2.4659 2.6641 2.6643 2.9150 2.9155 3.1490 3.1494 3.2936 3.2938 3.3118 3.3122 3.9176 3.9178 4.0235 4.0237 4.1063 4.1063 4.1576 4.1579 4.3514 4.3515 4.6754 4.6756 5.0179 5.0180 5.5509 5.5512 5.7720 5.7722 5.9435 5.9436 6.2662 6.2663 8.6250 8.6250 9.4826 9.4826 10.0626 10.0627 k = 0.1848-0.3213 0.2634 ( 5602 PWs) bands (ev): -7.1534 -7.1534 -5.5286 -5.5286 -5.0141 -5.0141 -1.2777 -1.2777 0.7707 0.7709 1.9933 1.9933 2.4246 2.4251 2.6970 2.6971 2.9473 2.9478 3.1503 3.1506 3.2876 3.2879 3.3152 3.3155 3.9167 3.9170 4.0237 4.0239 4.1080 4.1080 4.1566 4.1569 4.3566 4.3567 4.6491 4.6493 5.0556 5.0557 5.5287 5.5289 5.8076 5.8079 5.8993 5.8994 6.2556 6.2557 8.6199 8.6199 9.3942 9.3942 10.0725 10.0726 k = 0.1941-0.3374 0.2766 ( 5604 PWs) bands (ev): -7.1406 -7.1406 -5.5435 -5.5435 -5.0284 -5.0284 -1.2491 -1.2490 0.7636 0.7638 1.9962 1.9962 2.3758 2.3763 2.7357 2.7359 2.9773 2.9777 3.1520 3.1523 3.2805 3.2807 3.3200 3.3203 3.9164 3.9166 4.0243 4.0245 4.1097 4.1098 4.1556 4.1559 4.3580 4.3580 4.6303 4.6305 5.0756 5.0757 5.5256 5.5259 5.8381 5.8388 5.8633 5.8639 6.2442 6.2443 8.6108 8.6108 9.3018 9.3018 10.0664 10.0665 k = 0.2033-0.3535 0.2898 ( 5618 PWs) bands (ev): -7.1287 -7.1287 -5.5563 -5.5563 -5.0431 -5.0431 -1.2210 -1.2210 0.7603 0.7604 1.9976 1.9977 2.3239 2.3244 2.7757 2.7759 3.0049 3.0052 3.1540 3.1544 3.2732 3.2733 3.3252 3.3255 3.9164 3.9167 4.0252 4.0253 4.1114 4.1115 4.1546 4.1550 4.3542 4.3543 4.6206 4.6208 5.0745 5.0746 5.5444 5.5446 5.8129 5.8133 5.8877 5.8878 6.2319 6.2320 8.5982 8.5982 9.2076 9.2076 10.0428 10.0429 k = 0.2125-0.3695 0.3030 ( 5608 PWs) bands (ev): -7.1178 -7.1178 -5.5667 -5.5667 -5.0583 -5.0583 -1.1937 -1.1937 0.7607 0.7608 1.9970 1.9971 2.2715 2.2719 2.8148 2.8151 3.0302 3.0305 3.1566 3.1570 3.2659 3.2660 3.3306 3.3308 3.9170 3.9172 4.0264 4.0265 4.1132 4.1134 4.1537 4.1541 4.3452 4.3452 4.6207 4.6208 5.0551 5.0552 5.5813 5.5816 5.7769 5.7772 5.9264 5.9264 6.2188 6.2188 8.5822 8.5822 9.1132 9.1132 10.0039 10.0040 k = 0.2218-0.3856 0.3161 ( 5612 PWs) bands (ev): -7.1081 -7.1081 -5.5745 -5.5745 -5.0738 -5.0738 -1.1675 -1.1675 0.7649 0.7650 1.9936 1.9937 2.2206 2.2210 2.8517 2.8521 3.0533 3.0535 3.1596 3.1600 3.2589 3.2590 3.3358 3.3361 3.9180 3.9182 4.0278 4.0279 4.1150 4.1152 4.1527 4.1531 4.3315 4.3316 4.6299 4.6300 5.0232 5.0232 5.6290 5.6293 5.7440 5.7443 5.9662 5.9663 6.2049 6.2049 8.5630 8.5630 9.0205 9.0205 9.9542 9.9542 k = 0.2310-0.4017 0.3293 ( 5620 PWs) bands (ev): -7.0997 -7.0997 -5.5794 -5.5794 -5.0897 -5.0897 -1.1427 -1.1427 0.7727 0.7728 1.9858 1.9859 2.1737 2.1741 2.8857 2.8861 3.0745 3.0746 3.1629 3.1633 3.2522 3.2523 3.3409 3.3411 3.9194 3.9196 4.0292 4.0293 4.1169 4.1171 4.1516 4.1521 4.3147 4.3148 4.6469 4.6470 4.9842 4.9843 5.6738 5.6742 5.7221 5.7224 6.0061 6.0061 6.1909 6.1909 8.5406 8.5407 8.9310 8.9310 9.8977 9.8978 k = 0.2403-0.4177 0.3425 ( 5622 PWs) bands (ev): -7.0929 -7.0929 -5.5814 -5.5814 -5.1058 -5.1058 -1.1196 -1.1196 0.7842 0.7843 1.9714 1.9716 2.1335 2.1339 2.9160 2.9165 3.0937 3.0938 3.1665 3.1670 3.2459 3.2460 3.3457 3.3459 3.9211 3.9214 4.0306 4.0307 4.1188 4.1189 4.1504 4.1509 4.2964 4.2965 4.6704 4.6704 4.9419 4.9420 5.6713 5.6714 5.7515 5.7516 6.0439 6.0440 6.1784 6.1785 8.5152 8.5152 8.8462 8.8462 9.8377 9.8377 k = 0.2495-0.4338 0.3557 ( 5622 PWs) bands (ev): -7.0876 -7.0876 -5.5803 -5.5803 -5.1222 -5.1222 -1.0985 -1.0985 0.7994 0.7995 1.9485 1.9486 2.1030 2.1033 2.9422 2.9429 3.1111 3.1112 3.1703 3.1708 3.2401 3.2402 3.3502 3.3504 3.9231 3.9234 4.0320 4.0320 4.1206 4.1208 4.1490 4.1495 4.2779 4.2780 4.6988 4.6988 4.8988 4.8989 5.6482 5.6482 5.8017 5.8019 6.0743 6.0746 6.1725 6.1726 8.4870 8.4870 8.7677 8.7677 9.7761 9.7761 k = 0.2587-0.4499 0.3688 ( 5620 PWs) bands (ev): -7.0839 -7.0839 -5.5760 -5.5760 -5.1386 -5.1386 -1.0797 -1.0796 0.8180 0.8181 1.9174 1.9175 2.0822 2.0825 2.9642 2.9649 3.1267 3.1268 3.1741 3.1747 3.2350 3.2351 3.3544 3.3546 3.9253 3.9256 4.0330 4.0330 4.1221 4.1223 4.1474 4.1480 4.2604 4.2604 4.7301 4.7302 4.8575 4.8576 5.6256 5.6256 5.8494 5.8496 6.0868 6.0871 6.1835 6.1837 8.4562 8.4562 8.6971 8.6972 9.7142 9.7142 k = 0.2680-0.4660 0.3820 ( 5618 PWs) bands (ev): -7.0819 -7.0819 -5.5686 -5.5686 -5.1552 -5.1552 -1.0634 -1.0634 0.8401 0.8401 1.8812 1.8813 2.0686 2.0689 2.9818 2.9827 3.1401 3.1402 3.1778 3.1786 3.2307 3.2309 3.3582 3.3584 3.9276 3.9279 4.0336 4.0337 4.1233 4.1234 4.1458 4.1463 4.2446 4.2447 4.7581 4.7582 4.8246 4.8247 5.6053 5.6053 5.8903 5.8906 6.0808 6.0812 6.2117 6.2118 8.4236 8.4236 8.6361 8.6361 9.6527 9.6528 k = 0.2772-0.4820 0.3952 ( 5622 PWs) bands (ev): -7.0815 -7.0815 -5.5580 -5.5580 -5.1717 -5.1717 -1.0501 -1.0501 0.8655 0.8656 1.8435 1.8435 2.0593 2.0595 2.9954 2.9963 3.1507 3.1508 3.1816 3.1825 3.2275 3.2277 3.3618 3.3619 3.9296 3.9299 4.0337 4.0338 4.1234 4.1234 4.1445 4.1449 4.2312 4.2313 4.7535 4.7536 4.8294 4.8296 5.5878 5.5878 5.9213 5.9218 6.0680 6.0685 6.2459 6.2461 8.3896 8.3897 8.5863 8.5863 9.5921 9.5921 k = 0.2865-0.4981 0.4083 ( 5620 PWs) bands (ev): -7.0827 -7.0827 -5.5443 -5.5443 -5.1883 -5.1883 -1.0399 -1.0399 0.8941 0.8942 1.8067 1.8067 2.0522 2.0524 3.0051 3.0060 3.1574 3.1575 3.1856 3.1867 3.2257 3.2259 3.3651 3.3652 3.9313 3.9317 4.0332 4.0333 4.1219 4.1220 4.1439 4.1442 4.2208 4.2209 4.7223 4.7224 4.8659 4.8660 5.5730 5.5730 5.9384 5.9389 6.0567 6.0572 6.2800 6.2801 8.3551 8.3551 8.5493 8.5493 9.5325 9.5325 k = 0.2957-0.5142 0.4215 ( 5632 PWs) bands (ev): -7.0854 -7.0854 -5.5278 -5.5278 -5.2046 -5.2046 -1.0331 -1.0331 0.9259 0.9260 1.7723 1.7724 2.0462 2.0464 3.0112 3.0121 3.1599 3.1601 3.1899 3.1909 3.2255 3.2256 3.3682 3.3684 3.9323 3.9327 4.0322 4.0323 4.1188 4.1191 4.1442 4.1443 4.2136 4.2137 4.6889 4.6889 4.9093 4.9095 5.5609 5.5610 5.9377 5.9383 6.0514 6.0518 6.3115 6.3116 8.3205 8.3206 8.5268 8.5268 9.4741 9.4742 k = 0.3049-0.5302 0.4347 ( 5624 PWs) bands (ev): -7.0895 -7.0895 -5.5085 -5.5085 -5.2209 -5.2209 -1.0299 -1.0299 0.9607 0.9607 1.7415 1.7416 2.0408 2.0409 3.0140 3.0149 3.1587 3.1589 3.1932 3.1940 3.2271 3.2272 3.3714 3.3715 3.9324 3.9328 4.0308 4.0309 4.1148 4.1152 4.1449 4.1450 4.2097 4.2099 4.6575 4.6576 4.9553 4.9554 5.5516 5.5516 5.9216 5.9220 6.0495 6.0498 6.3398 6.3399 8.2866 8.2866 8.5200 8.5201 9.4172 9.4172 k = 0.3049-0.5302 0.4347 ( 5624 PWs) bands (ev): -7.0895 -7.0895 -5.5085 -5.5085 -5.2209 -5.2209 -1.0299 -1.0299 0.9607 0.9607 1.7415 1.7416 2.0408 2.0409 3.0140 3.0149 3.1587 3.1589 3.1932 3.1940 3.2271 3.2272 3.3714 3.3715 3.9324 3.9328 4.0308 4.0309 4.1148 4.1152 4.1449 4.1450 4.2097 4.2099 4.6575 4.6576 4.9553 4.9554 5.5516 5.5516 5.9216 5.9220 6.0495 6.0498 6.3398 6.3399 8.2866 8.2866 8.5200 8.5201 9.4172 9.4172 k = 0.3189-0.5131 0.4291 ( 5626 PWs) bands (ev): -7.0878 -7.0878 -5.5174 -5.5173 -5.2132 -5.2132 -1.0319 -1.0317 0.9449 0.9453 1.7551 1.7581 2.0419 2.0448 3.0102 3.0141 3.1563 3.1609 3.1915 3.1945 3.2249 3.2283 3.3690 3.3705 3.9297 3.9357 4.0241 4.0379 4.1145 4.1188 4.1442 4.1451 4.2104 4.2123 4.6672 4.6724 4.9361 4.9365 5.5545 5.5564 5.9050 5.9470 6.0365 6.0713 6.3264 6.3296 8.3032 8.3046 8.5199 8.5225 9.4438 9.4504 k = 0.3328-0.4960 0.4235 ( 5622 PWs) bands (ev): -7.0865 -7.0865 -5.5263 -5.5262 -5.2041 -5.2040 -1.0363 -1.0359 0.9293 0.9298 1.7738 1.7795 2.0433 2.0494 3.0019 3.0101 3.1523 3.1593 3.1922 3.1949 3.2239 3.2296 3.3660 3.3689 3.9264 3.9394 4.0172 4.0431 4.1144 4.1215 4.1440 4.1453 4.2116 4.2160 4.6765 4.6856 4.9185 4.9190 5.5584 5.5621 5.8852 5.9526 6.0394 6.0923 6.3122 6.3190 8.3263 8.3285 8.5222 8.5277 9.4823 9.4957 k = 0.3467-0.4789 0.4179 ( 5627 PWs) bands (ev): -7.0857 -7.0857 -5.5352 -5.5351 -5.1940 -5.1938 -1.0429 -1.0423 0.9146 0.9150 1.7964 1.8047 2.0452 2.0547 2.9901 3.0020 3.1469 3.1551 3.1948 3.1956 3.2241 3.2310 3.3624 3.3666 3.9229 3.9429 4.0104 4.0462 4.1144 4.1230 4.1443 4.1456 4.2134 4.2206 4.6853 4.6969 4.9024 4.9029 5.5631 5.5685 5.8646 5.9404 6.0567 6.1103 6.2980 6.3086 8.3559 8.3579 8.5261 8.5349 9.5318 9.5523 k = 0.3607-0.4618 0.4123 ( 5637 PWs) bands (ev): -7.0852 -7.0852 -5.5439 -5.5437 -5.1831 -5.1829 -1.0512 -1.0505 0.9012 0.9013 1.8217 1.8326 2.0478 2.0610 2.9748 2.9898 3.1410 3.1498 3.1968 3.1985 3.2251 3.2322 3.3585 3.3638 3.9195 3.9458 4.0043 4.0474 4.1144 4.1233 4.1452 4.1459 4.2157 4.2257 4.6934 4.7063 4.8878 4.8882 5.5687 5.5755 5.8445 5.9209 6.0776 6.1241 6.2845 6.2994 8.3913 8.3920 8.5312 8.5438 9.5906 9.6186 k = 0.3746-0.4448 0.4067 ( 5632 PWs) bands (ev): -7.0850 -7.0850 -5.5521 -5.5519 -5.1720 -5.1718 -1.0608 -1.0600 0.8892 0.8894 1.8482 1.8619 2.0513 2.0685 2.9564 2.9736 3.1351 3.1444 3.1986 3.2024 3.2266 3.2332 3.3544 3.3605 3.9165 3.9474 3.9995 4.0470 4.1143 4.1227 4.1464 4.1466 4.2185 4.2309 4.7009 4.7140 4.8748 4.8748 5.5750 5.5832 5.8253 5.8993 6.0965 6.1331 6.2730 6.2925 8.4291 8.4315 8.5377 8.5551 9.6561 9.6923 k = 0.3885-0.4277 0.4011 ( 5633 PWs) bands (ev): -7.0850 -7.0850 -5.5597 -5.5596 -5.1610 -5.1608 -1.0712 -1.0704 0.8788 0.8792 1.8746 1.8913 2.0563 2.0775 2.9353 2.9538 3.1297 3.1392 3.2008 3.2063 3.2283 3.2341 3.3503 3.3570 3.9138 3.9472 3.9967 4.0455 4.1141 4.1215 4.1469 4.1480 4.2216 4.2358 4.7077 4.7201 4.8628 4.8632 5.5819 5.5912 5.8077 5.8776 6.1107 6.1368 6.2649 6.2887 8.4657 8.4732 8.5477 8.5714 9.7246 9.7695 k = 0.4025-0.4106 0.3955 ( 5628 PWs) bands (ev): -7.0852 -7.0851 -5.5667 -5.5665 -5.1504 -5.1502 -1.0819 -1.0810 0.8702 0.8708 1.8997 1.9191 2.0634 2.0884 2.9123 2.9313 3.1252 3.1344 3.2033 3.2100 3.2300 3.2348 3.3463 3.3532 3.9116 3.9449 3.9961 4.0432 4.1137 4.1200 4.1475 4.1494 4.2250 4.2403 4.7137 4.7248 4.8520 4.8531 5.5893 5.5993 5.7918 5.8564 6.1187 6.1355 6.2616 6.2880 8.4956 8.5073 8.5692 8.5975 9.7912 9.8445 k = 0.4164-0.3935 0.3899 ( 5632 PWs) bands (ev): -7.0854 -7.0854 -5.5729 -5.5727 -5.1405 -5.1403 -1.0923 -1.0915 0.8632 0.8640 1.9222 1.9433 2.0737 2.1012 2.8884 2.9071 3.1215 3.1302 3.2059 3.2134 3.2318 3.2353 3.3426 3.3494 3.9099 3.9410 3.9976 4.0404 4.1133 4.1184 4.1482 4.1505 4.2286 4.2440 4.7189 4.7282 4.8427 4.8443 5.5968 5.6073 5.7780 5.8364 6.1203 6.1303 6.2633 6.2898 8.5150 8.5243 8.6101 8.6358 9.8497 9.9087 k = 0.4303-0.3764 0.3843 ( 5632 PWs) bands (ev): -7.0858 -7.0857 -5.5782 -5.5781 -5.1316 -5.1315 -1.1021 -1.1014 0.8578 0.8585 1.9413 1.9623 2.0878 2.1156 2.8648 2.8823 3.1187 3.1264 3.2085 3.2162 3.2334 3.2358 3.3393 3.3457 3.9088 3.9360 4.0003 4.0372 4.1129 4.1169 4.1488 4.1513 4.2323 4.2469 4.7233 4.7307 4.8348 4.8368 5.6043 5.6149 5.7667 5.8178 6.1171 6.1229 6.2688 6.2930 8.5262 8.5318 8.6607 8.6818 9.8944 9.9521 k = 0.4443-0.3593 0.3787 ( 5631 PWs) bands (ev): -7.0861 -7.0861 -5.5826 -5.5825 -5.1240 -5.1239 -1.1107 -1.1101 0.8537 0.8544 1.9566 1.9754 2.1051 2.1305 2.8427 2.8582 3.1166 3.1231 3.2110 3.2184 3.2349 3.2363 3.3365 3.3422 3.9083 3.9308 4.0037 4.0338 4.1124 4.1154 4.1495 4.1518 4.2359 4.2488 4.7268 4.7323 4.8284 4.8307 5.6115 5.6214 5.7582 5.8011 6.1114 6.1148 6.2761 6.2965 8.5328 8.5359 8.7123 8.7293 9.9222 9.9726 k = 0.4582-0.3422 0.3731 ( 5631 PWs) bands (ev): -7.0864 -7.0864 -5.5861 -5.5861 -5.1179 -5.1178 -1.1179 -1.1174 0.8507 0.8514 1.9684 1.9833 2.1234 2.1442 2.8237 2.8364 3.1152 3.1203 3.2134 3.2197 3.2361 3.2368 3.3345 3.3390 3.9086 3.9257 4.0075 4.0303 4.1121 4.1142 4.1501 4.1521 4.2394 4.2499 4.7295 4.7333 4.8237 4.8258 5.6180 5.6266 5.7527 5.7863 6.1052 6.1071 6.2837 6.2994 8.5368 8.5384 8.7597 8.7728 9.9351 9.9763 k = 0.4721-0.3251 0.3676 ( 5638 PWs) bands (ev): -7.0866 -7.0866 -5.5887 -5.5886 -5.1134 -5.1133 -1.1231 -1.1228 0.8488 0.8493 1.9771 1.9873 2.1402 2.1548 2.8095 2.8185 3.1146 3.1180 3.2156 3.2202 3.2371 3.2374 3.3332 3.3364 3.9095 3.9211 4.0114 4.0266 4.1119 4.1132 4.1507 4.1521 4.2426 4.2500 4.7314 4.7337 4.8205 4.8222 5.6236 5.6300 5.7505 5.7737 6.0998 6.1009 6.2905 6.3010 8.5393 8.5401 8.7986 8.8077 9.9389 9.9686 k = 0.4861-0.3080 0.3620 ( 5632 PWs) bands (ev): -7.0867 -7.0867 -5.5902 -5.5901 -5.1106 -5.1106 -1.1264 -1.1262 0.8478 0.8480 1.9831 1.9882 2.1529 2.1605 2.8012 2.8060 3.1145 3.1163 3.2175 3.2199 3.2377 3.2378 3.3328 3.3344 3.9112 3.9171 4.0154 4.0230 4.1119 4.1125 4.1512 4.1520 4.2454 4.2492 4.7326 4.7337 4.8189 4.8198 5.6279 5.6313 5.7517 5.7636 6.0964 6.0969 6.2958 6.3011 8.5407 8.5410 8.8250 8.8297 9.9407 9.9562 k = 0.5000-0.2909 0.3564 ( 5632 PWs) bands (ev): -7.0868 -7.0868 -5.5907 -5.5907 -5.1097 -5.1097 -1.1274 -1.1274 0.8475 0.8475 1.9868 1.9868 2.1599 2.1599 2.8000 2.8000 3.1151 3.1151 3.2189 3.2189 3.2379 3.2379 3.3332 3.3332 3.9138 3.9138 4.0192 4.0192 4.1121 4.1121 4.1516 4.1516 4.2477 4.2477 4.7334 4.7334 4.8187 4.8187 5.6306 5.6306 5.7562 5.7562 6.0953 6.0953 6.2994 6.2994 8.5412 8.5412 8.8358 8.8358 9.9459 9.9459 k = 0.5000-0.2909 0.3564 ( 5632 PWs) bands (ev): -7.0868 -7.0868 -5.5907 -5.5907 -5.1097 -5.1097 -1.1274 -1.1274 0.8475 0.8475 1.9868 1.9868 2.1599 2.1599 2.8000 2.8000 3.1151 3.1151 3.2189 3.2189 3.2379 3.2379 3.3332 3.3332 3.9138 3.9138 4.0192 4.0192 4.1121 4.1121 4.1516 4.1516 4.2477 4.2477 4.7334 4.7334 4.8187 4.8187 5.6306 5.6306 5.7562 5.7562 6.0953 6.0953 6.2994 6.2994 8.5412 8.5412 8.8358 8.8358 9.9459 9.9459 k = 0.4934-0.2795 0.3749 ( 5634 PWs) bands (ev): -7.0858 -7.0854 -5.5904 -5.5901 -5.1093 -5.1091 -1.1321 -1.1264 0.8433 0.8524 1.9431 2.0145 2.1292 2.1923 2.7932 2.8065 3.1102 3.1198 3.2143 3.2212 3.2369 3.2398 3.3317 3.3343 3.9071 3.9226 4.0173 4.0218 4.1096 4.1141 4.1475 4.1563 4.2392 4.2591 4.7318 4.7387 4.8124 4.8236 5.6210 5.6341 5.7520 5.7611 6.0743 6.0969 6.3013 6.3142 8.5390 8.5544 8.8297 8.8399 9.9119 9.9609 k = 0.4868-0.2680 0.3935 ( 5634 PWs) bands (ev): -7.0824 -7.0817 -5.5894 -5.5887 -5.1078 -5.1074 -1.1406 -1.1291 0.8398 0.8581 1.8891 2.0124 2.1143 2.2218 2.7862 2.8123 3.1054 3.1240 3.2082 3.2208 3.2361 3.2429 3.3300 3.3351 3.9032 3.9327 4.0156 4.0254 4.1068 4.1156 4.1441 4.1607 4.2345 4.2728 4.7337 4.7465 4.8065 4.8273 5.6060 5.6318 5.7488 5.7658 6.0411 6.0762 6.3234 6.3388 8.5477 8.5780 8.8217 8.8418 9.8755 9.9351 k = 0.4803-0.2566 0.4121 ( 5636 PWs) bands (ev): -7.0767 -7.0756 -5.5875 -5.5866 -5.1054 -5.1048 -1.1528 -1.1357 0.8369 0.8645 1.8273 1.9769 2.1198 2.2473 2.7785 2.8169 3.1006 3.1276 3.2007 3.2180 3.2352 3.2468 3.3281 3.3354 3.9019 3.9428 4.0140 4.0304 4.1039 4.1166 4.1417 4.1639 4.2344 4.2880 4.7366 4.7524 4.8063 4.8307 5.5865 5.6242 5.7461 5.7685 6.0008 6.0389 6.3620 6.3695 8.5663 8.6110 8.8118 8.8412 9.8382 9.8954 k = 0.4737-0.2451 0.4306 ( 5634 PWs) bands (ev): -7.0686 -7.0672 -5.5849 -5.5836 -5.1020 -5.1012 -1.1689 -1.1464 0.8345 0.8716 1.7599 1.9253 2.1302 2.2692 2.7695 2.8198 3.0959 3.1302 3.1920 3.2139 3.2342 3.2509 3.3260 3.3352 3.9028 3.9517 4.0123 4.0371 4.1011 4.1172 4.1401 4.1654 4.2392 4.3039 4.7345 4.7527 4.8181 4.8366 5.5634 5.6118 5.7430 5.7669 5.9554 5.9932 6.4059 6.4131 8.5937 8.6515 8.7997 8.8377 9.7997 9.8524 k = 0.4671-0.2337 0.4492 ( 5626 PWs) bands (ev): -7.0582 -7.0565 -5.5815 -5.5799 -5.0976 -5.0966 -1.1890 -1.1612 0.8325 0.8793 1.6890 1.8670 2.1383 2.2879 2.7583 2.8210 3.0910 3.1317 3.1818 3.2089 3.2331 3.2546 3.3238 3.3344 3.9053 3.9585 4.0104 4.0451 4.0986 4.1174 4.1392 4.1655 4.2481 4.3199 4.7228 4.7497 4.8397 4.8483 5.5375 5.5954 5.7379 5.7579 5.9051 5.9476 6.4493 6.4750 8.6279 8.6969 8.7852 8.8318 9.7598 9.8090 k = 0.4605-0.2223 0.4678 ( 5632 PWs) bands (ev): -7.0454 -7.0434 -5.5774 -5.5755 -5.0922 -5.0911 -1.2133 -1.1805 0.8306 0.8873 1.6168 1.8058 2.1425 2.3038 2.7444 2.8207 3.0856 3.1318 3.1701 3.2036 3.2321 3.2579 3.3213 3.3330 3.9086 3.9633 4.0081 4.0534 4.0965 4.1175 4.1388 4.1648 4.2598 4.3356 4.7046 4.7420 4.8649 4.8686 5.5092 5.5752 5.7265 5.7390 5.8511 5.9111 6.5008 6.5472 8.6667 8.7411 8.7691 8.8266 9.7186 9.7666 k = 0.4539-0.2108 0.4863 ( 5630 PWs) bands (ev): -7.0304 -7.0280 -5.5726 -5.5704 -5.0860 -5.0846 -1.2419 -1.2046 0.8287 0.8954 1.5454 1.7440 2.1429 2.3173 2.7276 2.8190 3.0792 3.1302 3.1572 3.1983 3.2314 3.2606 3.3186 3.3311 3.9121 3.9663 4.0055 4.0608 4.0950 4.1176 4.1390 4.1640 4.2732 4.3506 4.6831 4.7289 4.8886 4.8974 5.4788 5.5512 5.6976 5.7135 5.8022 5.8867 6.5616 6.6300 8.7047 8.7477 8.7722 8.8394 9.6771 9.7263 k = 0.4474-0.1994 0.5049 ( 5622 PWs) bands (ev): -7.0130 -7.0103 -5.5673 -5.5648 -5.0788 -5.0772 -1.2750 -1.2335 0.8266 0.9034 1.4768 1.6834 2.1394 2.3281 2.7083 2.8162 3.0711 3.1262 3.1436 3.1934 3.2308 3.2629 3.3155 3.3286 3.9154 3.9682 4.0027 4.0662 4.0943 4.1181 4.1395 4.1634 4.2875 4.3648 4.6599 4.7116 4.9125 4.9277 5.4460 5.5234 5.6540 5.6718 5.7721 5.8717 6.6324 6.7233 8.7138 8.7409 8.7827 8.8825 9.6366 9.6887 k = 0.4408-0.1880 0.5235 ( 5618 PWs) bands (ev): -6.9934 -6.9903 -5.5614 -5.5586 -5.0708 -5.0690 -1.3128 -1.2676 0.8240 0.9106 1.4129 1.6254 2.1324 2.3361 2.6872 2.8126 3.0609 3.1171 3.1324 3.1891 3.2303 3.2647 3.3120 3.3257 3.9181 3.9693 3.9997 4.0692 4.0943 4.1189 4.1404 4.1631 4.3021 4.3783 4.6358 4.6914 4.9340 4.9570 5.4104 5.4913 5.6013 5.6210 5.7574 5.8616 6.7131 6.8266 8.6911 8.7236 8.8188 8.9357 9.5984 9.6544 k = 0.4342-0.1765 0.5421 ( 5622 PWs) bands (ev): -6.9715 -6.9681 -5.5550 -5.5519 -5.0619 -5.0600 -1.3552 -1.3070 0.8208 0.9165 1.3555 1.5712 2.1221 2.3404 2.6654 2.8084 3.0481 3.1017 3.1252 3.1853 3.2297 3.2663 3.3081 3.3223 3.9199 3.9701 3.9963 4.0698 4.0947 4.1200 4.1415 4.1631 4.3170 4.3910 4.6114 4.6690 4.9501 4.9833 5.3714 5.4554 5.5415 5.5764 5.7483 5.8536 6.8030 6.9390 8.6636 8.6938 8.8634 8.9901 9.5636 9.6240 k = 0.4276-0.1651 0.5606 ( 5620 PWs) bands (ev): -6.9474 -6.9438 -5.5483 -5.5449 -5.0523 -5.0503 -1.4024 -1.3519 0.8169 0.9203 1.3062 1.5216 2.1086 2.3401 2.6444 2.8038 3.0328 3.0834 3.1193 3.1819 3.2289 3.2678 3.3035 3.3185 3.9207 3.9707 3.9928 4.0689 4.0952 4.1214 4.1427 4.1634 4.3320 4.4030 4.5876 4.6454 4.9586 5.0040 5.3290 5.4166 5.4829 5.5390 5.7411 5.8465 6.9008 7.0592 8.6347 8.6586 8.9083 9.0432 9.5333 9.5981 k = 0.4211-0.1536 0.5792 ( 5622 PWs) bands (ev): -6.9212 -6.9172 -5.5412 -5.5375 -5.0420 -5.0398 -1.4543 -1.4021 0.8120 0.9214 1.2666 1.4772 2.0923 2.3339 2.6257 2.7988 3.0151 3.0638 3.1133 3.1786 3.2277 3.2693 3.2984 3.3146 3.9203 3.9715 3.9891 4.0669 4.0956 4.1227 4.1437 4.1639 4.3471 4.4142 4.5649 4.6213 4.9579 5.0159 5.2854 5.3756 5.4314 5.5074 5.7349 5.8395 7.0044 7.1848 8.6060 8.6212 8.9514 9.0934 9.5083 9.5778 k = 0.4145-0.1422 0.5978 ( 5626 PWs) bands (ev): -6.8928 -6.8886 -5.5340 -5.5300 -5.0311 -5.0287 -1.5108 -1.4576 0.8063 0.9194 1.2372 1.4382 2.0736 2.3211 2.6103 2.7933 2.9955 3.0439 3.1071 3.1751 3.2258 3.2709 3.2925 3.3106 3.9189 3.9726 3.9852 4.0644 4.0960 4.1239 4.1443 4.1645 4.3625 4.4241 4.5442 4.5971 4.9467 5.0150 5.2443 5.3326 5.3908 5.4803 5.7291 5.8325 7.1107 7.3131 8.5764 8.5877 8.9912 9.1390 9.4895 9.5644 k = 0.4079-0.1308 0.6163 ( 5620 PWs) bands (ev): -6.8624 -6.8578 -5.5267 -5.5225 -5.0195 -5.0170 -1.5714 -1.5180 0.7998 0.9146 1.2180 1.4044 2.0528 2.3015 2.5985 2.7870 2.9746 3.0245 3.1004 3.1712 3.2233 3.2725 3.2860 3.3066 3.9164 3.9739 3.9812 4.0615 4.0964 4.1248 4.1445 4.1651 4.3780 4.4318 4.5270 4.5734 4.9252 4.9984 5.2091 5.2896 5.3607 5.4571 5.7240 5.8253 7.2160 7.4400 8.5435 8.5665 9.0263 9.1779 9.4787 9.5601 k = 0.4013-0.1193 0.6349 ( 5620 PWs) bands (ev): -6.8299 -6.8250 -5.5195 -5.5150 -5.0075 -5.0048 -1.6361 -1.5830 0.7931 0.9079 1.2077 1.3753 2.0307 2.2760 2.5892 2.7791 2.9534 3.0066 3.0931 3.1665 3.2201 3.2742 3.2787 3.3029 3.9132 3.9748 3.9775 4.0584 4.0968 4.1255 4.1442 4.1657 4.3934 4.4357 4.5157 4.5505 4.8945 4.9667 5.1798 5.2487 5.3395 5.4370 5.7194 5.8180 7.3159 7.5600 8.5159 8.5564 9.0553 9.2072 9.4781 9.5670 k = 0.3947-0.1079 0.6535 ( 5618 PWs) bands (ev): -6.7954 -6.7903 -5.5125 -5.5077 -4.9950 -4.9921 -1.7042 -1.6521 0.7863 0.9007 1.2044 1.3502 2.0080 2.2462 2.5809 2.7689 2.9330 2.9910 3.0853 3.1608 3.2161 3.2706 3.2757 3.2997 3.9095 3.9714 3.9782 4.0552 4.0972 4.1260 4.1434 4.1661 4.4064 4.4357 4.5123 4.5290 4.8569 4.9247 5.1527 5.2101 5.3254 5.4193 5.7154 5.8106 7.4051 7.6655 8.5012 8.5594 9.0768 9.2246 9.4908 9.5872 k = 0.3882-0.0964 0.6720 ( 5618 PWs) bands (ev): -6.7591 -6.7537 -5.5059 -5.5009 -4.9821 -4.9791 -1.7753 -1.7247 0.7802 0.8943 1.2060 1.3282 1.9854 2.2138 2.5714 2.7554 2.9148 2.9788 3.0769 3.1538 3.2115 3.2620 3.2768 3.2973 3.9055 3.9664 3.9804 4.0520 4.0975 4.1264 4.1423 4.1666 4.4086 4.4408 4.5070 4.5184 4.8147 4.8774 5.1252 5.1731 5.3163 5.4034 5.7121 5.8030 7.4790 7.7478 8.5065 8.5781 9.0900 9.2293 9.5189 9.6217 k = 0.3816-0.0850 0.6906 ( 5612 PWs) bands (ev): -6.7209 -6.7153 -5.4998 -5.4945 -4.9689 -4.9659 -1.8488 -1.8002 0.7750 0.8895 1.2107 1.3084 1.9640 2.1806 2.5589 2.7380 2.9001 2.9703 3.0680 3.1453 3.2062 3.2527 3.2772 3.2960 3.9015 3.9609 3.9828 4.0490 4.0976 4.1265 4.1409 4.1670 4.3985 4.4553 4.4886 4.5273 4.7703 4.8287 5.0965 5.1372 5.3099 5.3883 5.7095 5.7953 7.5342 7.7999 8.5365 8.6134 9.0950 9.2236 9.5627 9.6701 k = 0.3750-0.0736 0.7092 ( 5608 PWs) bands (ev): -6.6809 -6.6751 -5.4944 -5.4888 -4.9556 -4.9524 -1.9242 -1.8777 0.7713 0.8868 1.2167 1.2899 1.9445 2.1482 2.5421 2.7166 2.8897 2.9656 3.0588 3.1352 3.2005 3.2428 3.2768 3.2959 3.8976 3.9551 3.9854 4.0460 4.0975 4.1264 4.1395 4.1675 4.3844 4.4667 4.4775 4.5393 4.7253 4.7808 5.0671 5.1018 5.3043 5.3735 5.7072 5.7873 7.5700 7.8213 8.5892 8.6636 9.0928 9.2103 9.6213 9.7315 k = 0.3684-0.0621 0.7277 ( 5604 PWs) bands (ev): -6.6393 -6.6332 -5.4899 -5.4841 -4.9421 -4.9388 -2.0006 -1.9567 0.7691 0.8863 1.2226 1.2721 1.9278 2.1181 2.5204 2.6915 2.8834 2.9642 3.0495 3.1234 3.1945 3.2323 3.2759 3.2968 3.8939 3.9491 3.9882 4.0432 4.0969 4.1261 4.1383 4.1680 4.3692 4.4527 4.4943 4.5525 4.6812 4.7349 5.0377 5.0671 5.2981 5.3583 5.7053 5.7788 7.5886 7.8183 8.6562 8.7241 9.0847 9.1921 9.6936 9.8044 k = 0.3618-0.0507 0.7463 ( 5602 PWs) bands (ev): -6.5961 -6.5898 -5.4864 -5.4804 -4.9286 -4.9252 -2.0776 -2.0363 0.7686 0.8876 1.2268 1.2553 1.9144 2.0915 2.4941 2.6637 2.8803 2.9653 3.0405 3.1099 3.1883 3.2214 3.2747 3.2982 3.8907 3.9428 3.9911 4.0404 4.0958 4.1257 4.1375 4.1685 4.3541 4.4374 4.5141 4.5647 4.6405 4.6922 5.0089 5.0333 5.2906 5.3425 5.7033 5.7697 7.5934 7.7991 8.7279 8.7890 9.0721 9.1710 9.7776 9.8873 k = 0.3553-0.0392 0.7649 ( 5614 PWs) bands (ev): -6.5515 -6.5450 -5.4843 -5.4781 -4.9151 -4.9117 -2.1544 -2.1158 0.7694 0.8906 1.2241 1.2436 1.9047 2.0695 2.4638 2.6342 2.8787 2.9679 3.0324 3.0949 3.1821 3.2101 3.2735 3.2998 3.8880 3.9365 3.9942 4.0376 4.0942 4.1252 4.1371 4.1688 4.3397 4.4227 4.5329 4.5669 4.6126 4.6539 4.9812 5.0007 5.2816 5.3256 5.7010 5.7597 7.5883 7.7709 8.7967 8.8529 9.0562 9.1482 9.8699 9.9768 k = 0.3487-0.0278 0.7834 ( 5606 PWs) bands (ev): -6.5055 -6.4989 -5.4836 -5.4773 -4.9018 -4.8984 -2.2303 -2.1946 0.7714 0.8945 1.2100 1.2412 1.8989 2.0530 2.4306 2.6040 2.8764 2.9712 3.0257 3.0790 3.1761 3.1988 3.2725 3.3014 3.8859 3.9301 3.9974 4.0348 4.0922 4.1247 4.1371 4.1692 4.3263 4.4084 4.5319 4.5622 4.6048 4.6292 4.9549 4.9698 5.2709 5.3079 5.6980 5.7486 7.5769 7.7382 8.8583 8.9119 9.0381 9.1251 9.9651 10.0673 k = 0.3421-0.0164 0.8020 ( 5608 PWs) bands (ev): -6.4584 -6.4515 -5.4847 -5.4782 -4.8888 -4.8853 -2.3048 -2.2718 0.7741 0.8985 1.1926 1.2406 1.8967 2.0425 2.3954 2.5740 2.8716 2.9742 3.0196 3.0641 3.1699 3.1881 3.2717 3.3030 3.8843 3.9239 4.0007 4.0318 4.0899 4.1242 4.1374 4.1693 4.3142 4.3942 4.5002 4.5669 4.5926 4.6371 4.9299 4.9412 5.2587 5.2893 5.6940 5.7364 7.5618 7.7041 8.9102 8.9642 9.0184 9.1032 10.0553 10.1491 k = 0.3355-0.0049 0.8206 ( 5606 PWs) bands (ev): -6.4102 -6.4032 -5.4878 -5.4810 -4.8762 -4.8726 -2.3772 -2.3469 0.7770 0.9018 1.1758 1.2390 1.8977 2.0381 2.3593 2.5450 2.8630 2.9763 3.0106 3.0543 3.1624 3.1796 3.2711 3.3044 3.8833 3.9180 4.0042 4.0285 4.0874 4.1237 4.1378 4.1692 4.3038 4.3792 4.4669 4.5432 4.6090 4.6540 4.9061 4.9156 5.2454 5.2701 5.6884 5.7231 7.5448 7.6708 8.9506 8.9978 9.0086 9.0856 10.1310 10.2123 k = 0.3289 0.0065 0.8391 ( 5608 PWs) bands (ev): -6.3611 -6.3540 -5.4929 -5.4860 -4.8640 -4.8604 -2.4469 -2.4192 0.7798 0.9032 1.1613 1.2362 1.9016 2.0398 2.3230 2.5176 2.8503 2.9768 2.9948 3.0535 3.1525 3.1747 3.2707 3.3055 3.8829 3.9125 4.0078 4.0249 4.0851 4.1233 4.1381 4.1691 4.2950 4.3625 4.4368 4.5169 4.6307 4.6729 4.8833 4.8935 5.2311 5.2505 5.6807 5.7088 7.5273 7.6396 8.9754 8.9775 9.0416 9.0807 10.1865 10.2560 k = 0.3224 0.0180 0.8577 ( 5610 PWs) bands (ev): -6.3113 -6.3041 -5.5005 -5.4935 -4.8523 -4.8487 -2.5133 -2.4881 0.7820 0.9016 1.1504 1.2327 1.9075 2.0470 2.2873 2.4925 2.8338 2.9735 2.9757 3.0596 3.1409 3.1731 3.2704 3.3064 3.8828 3.9076 4.0114 4.0210 4.0829 4.1228 4.1380 4.1689 4.2880 4.3436 4.4114 4.4929 4.6530 4.6924 4.8622 4.8745 5.2164 5.2308 5.6702 5.6942 7.5101 7.6114 8.9568 8.9807 9.0604 9.0983 10.2250 10.2870 k = 0.3158 0.0294 0.8763 ( 5618 PWs) bands (ev): -6.2610 -6.2537 -5.5106 -5.5034 -4.8413 -4.8377 -2.5759 -2.5531 0.7833 0.8963 1.1441 1.2291 1.9150 2.0590 2.2530 2.4700 2.8142 2.9496 2.9723 3.0694 3.1286 3.1737 3.2702 3.3071 3.8831 3.9033 4.0144 4.0174 4.0811 4.1224 4.1372 4.1691 4.2826 4.3226 4.3906 4.4717 4.6752 4.7120 4.8435 4.8581 5.2017 5.2115 5.6562 5.6800 7.4937 7.5869 8.9369 8.9709 9.0762 9.1242 10.2537 10.3107 k = 0.3092 0.0408 0.8949 ( 5614 PWs) bands (ev): -6.2105 -6.2030 -5.5234 -5.5161 -4.8311 -4.8274 -2.6341 -2.6136 0.7835 0.8875 1.1424 1.2258 1.9234 2.0748 2.2209 2.4506 2.7924 2.9241 2.9673 3.0807 3.1167 3.1759 3.2701 3.3075 3.8834 3.9001 4.0112 4.0199 4.0797 4.1219 4.1356 4.1697 4.2786 4.3010 4.3738 4.4533 4.6968 4.7310 4.8277 4.8439 5.1874 5.1930 5.6388 5.6663 7.4785 7.5663 8.9180 8.9555 9.0912 9.1486 10.2775 10.3292 k = 0.3026 0.0523 0.9134 ( 5612 PWs) bands (ev): -6.1599 -6.1523 -5.5391 -5.5317 -4.8216 -4.8180 -2.6875 -2.6692 0.7826 0.8756 1.1448 1.2234 1.9321 2.0925 2.1924 2.4343 2.7692 2.8978 2.9611 3.0905 3.1072 3.1790 3.2699 3.3078 3.8834 3.8979 4.0062 4.0240 4.0786 4.1210 4.1333 4.1708 4.2748 4.2811 4.3599 4.4375 4.7171 4.7483 4.8154 4.8319 5.1738 5.1761 5.6191 5.6527 7.4645 7.5496 8.9003 8.9391 9.1038 9.1703 10.2980 10.3425 k = 0.2961 0.0637 0.9320 ( 5610 PWs) bands (ev): -6.1095 -6.1019 -5.5577 -5.5502 -4.8131 -4.8095 -2.7356 -2.7194 0.7807 0.8620 1.1501 1.2221 1.9407 2.1076 2.1718 2.4211 2.7453 2.8714 2.9541 3.0882 3.1104 3.1827 3.2696 3.3079 3.8830 3.8970 4.0011 4.0283 4.0779 4.1194 4.1309 4.1723 4.2610 4.2736 4.3485 4.4239 4.7357 4.7624 4.8078 4.8222 5.1598 5.1628 5.5981 5.6388 7.4521 7.5366 8.8839 8.9233 9.1138 9.1893 10.3149 10.3499 k = 0.2895 0.0751 0.9506 ( 5612 PWs) bands (ev): -6.0596 -6.0520 -5.5793 -5.5718 -4.8055 -4.8019 -2.7781 -2.7637 0.7781 0.8477 1.1572 1.2218 1.9487 2.1083 2.1702 2.4105 2.7217 2.8455 2.9468 3.0787 3.1211 3.1865 3.2692 3.3079 3.8822 3.8971 3.9960 4.0328 4.0774 4.1164 4.1290 4.1738 4.2457 4.2702 4.3399 4.4123 4.7512 4.7706 4.8061 4.8162 5.1468 5.1524 5.5768 5.6249 7.4413 7.5268 8.8692 8.9088 9.1215 9.2056 10.3266 10.3513 k = 0.2829 0.0866 0.9691 ( 5616 PWs) bands (ev): -6.0105 -6.0029 -5.6038 -5.5963 -4.7990 -4.7954 -2.8146 -2.8019 0.7753 0.8337 1.1649 1.2224 1.9561 2.0940 2.1878 2.4018 2.6994 2.8208 2.9396 3.0693 3.1318 3.1901 3.2686 3.3078 3.8813 3.8977 3.9912 4.0374 4.0771 4.1122 4.1280 4.1748 4.2339 4.2658 4.3342 4.4022 4.7610 4.7740 4.8065 4.8179 5.1363 5.1440 5.5562 5.6112 7.4322 7.5198 8.8563 8.8961 9.1273 9.2195 10.3305 10.3488 k = 0.2763 0.0980 0.9877 ( 5604 PWs) bands (ev): -5.9627 -5.9551 -5.6312 -5.6237 -4.7936 -4.7900 -2.8448 -2.8337 0.7726 0.8209 1.1722 1.2236 1.9627 2.0768 2.2116 2.3939 2.6795 2.7982 2.9331 3.0611 3.1415 3.1933 3.2678 3.3078 3.8806 3.8985 3.9870 4.0420 4.0767 4.1074 4.1277 4.1751 4.2264 4.2602 4.3316 4.3935 4.7636 4.7762 4.8086 4.8248 5.1288 5.1375 5.5371 5.5986 7.4250 7.5149 8.8454 8.8854 9.1315 9.2308 10.3262 10.3450 k = 0.2697 0.1095 1.0063 ( 5602 PWs) bands (ev): -5.9167 -5.9092 -5.6610 -5.6536 -4.7893 -4.7857 -2.8685 -2.8586 0.7704 0.8100 1.1786 1.2251 1.9685 2.0613 2.2364 2.3857 2.6630 2.7787 2.9276 3.0543 3.1496 3.1959 3.2669 3.3078 3.8801 3.8993 3.9835 4.0466 4.0761 4.1026 4.1275 4.1743 4.2233 4.2536 4.3313 4.3860 4.7634 4.7756 4.8146 4.8309 5.1242 5.1326 5.5207 5.5876 7.4194 7.5116 8.8366 8.8769 9.1344 9.2398 10.3178 10.3404 k = 0.2632 0.1209 1.0248 ( 5604 PWs) bands (ev): -5.8734 -5.8664 -5.6922 -5.6852 -4.7862 -4.7826 -2.8856 -2.8767 0.7689 0.8016 1.1835 1.2264 1.9734 2.0489 2.2593 2.3768 2.6510 2.7633 2.9235 3.0493 3.1557 3.1979 3.2660 3.3077 3.8798 3.8999 3.9809 4.0508 4.0750 4.0988 4.1274 4.1728 4.2238 4.2467 4.3324 4.3800 4.7633 4.7732 4.8215 4.8346 5.1222 5.1289 5.5080 5.5790 7.4156 7.5097 8.8303 8.8707 9.1364 9.2462 10.3095 10.3357 k = 0.2566 0.1323 1.0434 ( 5612 PWs) bands (ev): -5.8356 -5.8299 -5.7216 -5.7160 -4.7843 -4.7808 -2.8958 -2.8876 0.7682 0.7961 1.1865 1.2274 1.9769 2.0408 2.2770 2.3684 2.6438 2.7534 2.9209 3.0462 3.1597 3.1990 3.2654 3.3077 3.8796 3.9002 3.9793 4.0542 4.0736 4.0963 4.1274 4.1715 4.2266 4.2402 4.3338 4.3759 4.7636 4.7709 4.8272 4.8359 5.1221 5.1262 5.4998 5.5736 7.4133 7.5086 8.8264 8.8670 9.1374 9.2501 10.3037 10.3323 k = 0.2500 0.1438 1.0620 ( 5624 PWs) bands (ev): -5.8146 -5.8141 -5.7355 -5.7343 -4.7837 -4.7801 -2.8992 -2.8912 0.7680 0.7942 1.1875 1.2277 1.9781 2.0379 2.2839 2.3646 2.6415 2.7500 2.9200 3.0451 3.1611 3.1995 3.2650 3.3076 3.8795 3.9003 3.9787 4.0557 4.0728 4.0953 4.1273 4.1709 4.2288 4.2369 4.3344 4.3743 4.7639 4.7700 4.8296 4.8359 5.1226 5.1248 5.4969 5.5716 7.4126 7.5083 8.8251 8.8657 9.1378 9.2514 10.3017 10.3311 k = 0.0827-0.1438 1.0620 ( 5594 PWs) bands (ev): -5.9638 -5.9561 -5.6327 -5.6253 -4.8251 -4.8244 -2.7976 -2.7900 0.7633 0.8176 1.4308 1.4726 1.7241 1.7683 2.3117 2.4675 2.7285 2.8125 2.9257 2.9813 3.1410 3.2366 3.3036 3.3162 3.9168 3.9181 4.0153 4.0273 4.0863 4.0900 4.1687 4.1704 4.2682 4.2802 4.3021 4.3213 4.4617 4.4654 4.8788 4.8990 5.1994 5.2551 5.5694 5.5764 7.4224 7.4935 8.8354 8.8700 9.0740 9.0854 10.0402 10.0786 k = 0.0892-0.1551 1.0435 ( 5590 PWs) bands (ev): -6.0113 -6.0036 -5.6039 -5.5964 -4.8352 -4.8344 -2.7654 -2.7556 0.7615 0.8230 1.4427 1.4797 1.7179 1.7582 2.3326 2.5083 2.7225 2.8261 2.9265 2.9834 3.1356 3.2308 3.3044 3.3149 3.9095 3.9178 4.0173 4.0240 4.0862 4.0905 4.1690 4.1698 4.2776 4.2931 4.3205 4.3330 4.4626 4.4736 4.8835 4.9105 5.1723 5.2264 5.5488 5.5565 7.4693 7.5430 8.8683 8.9056 9.1026 9.1185 10.0055 10.0367 k = 0.0958-0.1665 1.0251 ( 5598 PWs) bands (ev): -6.0605 -6.0528 -5.5769 -5.5694 -4.8463 -4.8453 -2.7274 -2.7154 0.7612 0.8300 1.4543 1.4841 1.7150 1.7468 2.3533 2.5439 2.7224 2.8424 2.9289 2.9855 3.1311 3.2247 3.3051 3.3136 3.9014 3.9177 4.0194 4.0205 4.0850 4.0917 4.1684 4.1688 4.2890 4.3085 4.3417 4.3434 4.4662 4.4867 4.8893 4.9228 5.1473 5.1993 5.5299 5.5380 7.5151 7.5914 8.9001 8.9398 9.1295 9.1499 9.9698 9.9934 k = 0.1023-0.1779 1.0066 ( 5605 PWs) bands (ev): -6.1108 -6.1031 -5.5524 -5.5449 -4.8584 -4.8572 -2.6839 -2.6694 0.7623 0.8386 1.4651 1.4850 1.7160 1.7344 2.3744 2.5737 2.7292 2.8601 2.9334 2.9868 3.1280 3.2187 3.3056 3.3124 3.8933 3.9179 4.0164 4.0218 4.0831 4.0933 4.1671 4.1674 4.3015 4.3252 4.3537 4.3660 4.4732 4.5046 4.8958 4.9355 5.1247 5.1742 5.5133 5.5215 7.5590 7.6379 8.9299 8.9718 9.1540 9.1792 9.9330 9.9489 k = 0.1088-0.1892 0.9882 ( 5605 PWs) bands (ev): -6.1617 -6.1541 -5.5304 -5.5230 -4.8713 -4.8700 -2.6350 -2.6182 0.7645 0.8484 1.4745 1.4818 1.7214 1.7219 2.3966 2.5977 2.7425 2.8772 2.9405 2.9869 3.1270 3.2132 3.3060 3.3111 3.8855 3.9185 4.0125 4.0237 4.0808 4.0953 4.1653 4.1659 4.3137 4.3382 4.3695 4.3927 4.4840 4.5266 4.9024 4.9480 5.1048 5.1514 5.4997 5.5076 7.6002 7.6819 8.9573 9.0009 9.1757 9.2059 9.8946 9.9031 k = 0.1154-0.2006 0.9697 ( 5604 PWs) bands (ev): -6.2128 -6.2052 -5.5110 -5.5037 -4.8849 -4.8835 -2.5812 -2.5619 0.7679 0.8594 1.4743 1.4816 1.7106 1.7316 2.4205 2.6174 2.7606 2.8913 2.9516 2.9856 3.1286 3.2085 3.3064 3.3099 3.8783 3.9194 4.0084 4.0255 4.0784 4.0975 4.1631 4.1644 4.3244 4.3440 4.3944 4.4221 4.4994 4.5520 4.9087 4.9595 5.0879 5.1310 5.4897 5.4970 7.6376 7.7225 8.9816 9.0261 9.1941 9.2297 9.8540 9.8558 k = 0.1219-0.2120 0.9513 ( 5610 PWs) bands (ev): -6.2638 -6.2564 -5.4944 -5.4871 -4.8993 -4.8978 -2.5229 -2.5009 0.7721 0.8713 1.4627 1.4850 1.7023 1.7463 2.4462 2.6349 2.7809 2.9008 2.9673 2.9833 3.1325 3.2047 3.3067 3.3088 3.8721 3.9206 4.0044 4.0270 4.0762 4.1000 4.1605 4.1631 4.3325 4.3456 4.4257 4.4542 4.5193 4.5797 4.9142 4.9692 5.0741 5.1134 5.4844 5.4904 7.6701 7.7590 9.0022 9.0467 9.2088 9.2502 9.8064 9.8099 k = 0.1285-0.2233 0.9328 ( 5608 PWs) bands (ev): -6.3145 -6.3071 -5.4803 -5.4731 -4.9143 -4.9127 -2.4605 -2.4358 0.7774 0.8841 1.4475 1.4831 1.6988 1.7650 2.4740 2.6521 2.8008 2.9059 2.9809 2.9866 3.1386 3.2023 3.3070 3.3077 3.8668 3.9221 4.0005 4.0283 4.0744 4.1025 4.1577 4.1618 4.3380 4.3450 4.4618 4.4892 4.5434 4.6088 4.9183 4.9765 5.0639 5.0989 5.4842 5.4883 7.6967 7.7906 9.0187 9.0620 9.2192 9.2673 9.7543 9.7607 k = 0.1350-0.2347 0.9144 ( 5610 PWs) bands (ev): -6.3646 -6.3574 -5.4687 -5.4617 -4.9297 -4.9280 -2.3943 -2.3669 0.7836 0.8976 1.4292 1.4748 1.7016 1.7870 2.5039 2.6700 2.8184 2.9079 2.9797 3.0077 3.1461 3.2011 3.3065 3.3073 3.8627 3.9240 3.9968 4.0296 4.0732 4.1052 4.1548 4.1607 4.3408 4.3431 4.5016 4.5270 4.5708 4.6384 4.9207 4.9804 5.0576 5.0880 5.4898 5.4914 7.7161 7.8162 9.0306 9.0713 9.2250 9.2809 9.6989 9.7046 k = 0.1415-0.2461 0.8959 ( 5610 PWs) bands (ev): -6.4139 -6.4069 -5.4594 -5.4526 -4.9456 -4.9438 -2.3250 -2.2947 0.7909 0.9120 1.4085 1.4604 1.7109 1.8118 2.5355 2.6892 2.8324 2.9079 2.9812 3.0292 3.1545 3.2013 3.3056 3.3078 3.8598 3.9262 3.9934 4.0307 4.0727 4.1079 4.1519 4.1598 4.3403 4.3416 4.5448 4.5673 4.6008 4.6675 4.9211 4.9806 5.0555 5.0814 5.4999 5.5014 7.7269 7.8348 9.0375 9.0742 9.2259 9.2908 9.6398 9.6404 k = 0.1481-0.2574 0.8775 ( 5611 PWs) bands (ev): -6.4623 -6.4555 -5.4524 -5.4457 -4.9617 -4.9599 -2.2530 -2.2198 0.7994 0.9272 1.3859 1.4408 1.7257 1.8385 2.5688 2.7095 2.8423 2.9066 2.9862 3.0502 3.1633 3.2027 3.3048 3.3084 3.8582 3.9286 3.9904 4.0318 4.0729 4.1106 4.1491 4.1589 4.3368 4.3406 4.5908 4.6090 4.6335 4.6955 4.9198 4.9768 5.0582 5.0797 5.5139 5.5188 7.7276 7.8452 9.0387 9.0701 9.2217 9.2969 9.5683 9.5778 k = 0.1546-0.2688 0.8590 ( 5608 PWs) bands (ev): -6.5096 -6.5030 -5.4474 -5.4408 -4.9780 -4.9762 -2.1788 -2.1428 0.8095 0.9435 1.3620 1.4175 1.7447 1.8663 2.6034 2.7306 2.8492 2.9048 2.9945 3.0705 3.1720 3.2050 3.3042 3.3092 3.8579 3.9312 3.9878 4.0329 4.0738 4.1133 4.1463 4.1583 4.3327 4.3381 4.6387 4.6483 4.6714 4.7217 4.9171 4.9697 5.0661 5.0832 5.5332 5.5413 7.7166 7.8458 9.0332 9.0578 9.2122 9.2993 9.4907 9.5154 k = 0.1611-0.2802 0.8406 ( 5611 PWs) bands (ev): -6.5557 -6.5492 -5.4441 -5.4378 -4.9945 -4.9926 -2.1031 -2.0641 0.8213 0.9611 1.3371 1.3918 1.7666 1.8945 2.6388 2.7518 2.8550 2.9028 3.0055 3.0895 3.1803 3.2080 3.3039 3.3103 3.8587 3.9338 3.9858 4.0340 4.0753 4.1158 4.1436 4.1578 4.3282 4.3346 4.6816 4.6864 4.7166 4.7468 4.9141 4.9608 5.0793 5.0918 5.5575 5.5685 7.6922 7.8348 9.0196 9.0357 9.1975 9.2973 9.4135 9.4564 k = 0.1677-0.2915 0.8221 ( 5611 PWs) bands (ev): -6.6004 -6.5941 -5.4425 -5.4364 -5.0109 -5.0090 -2.0263 -1.9845 0.8353 0.9801 1.3117 1.3646 1.7904 1.9221 2.6748 2.7720 2.8619 2.9014 3.0179 3.1073 3.1878 3.2114 3.3041 3.3116 3.8608 3.9365 3.9844 4.0352 4.0774 4.1182 4.1412 4.1574 4.3235 4.3300 4.7107 4.7275 4.7654 4.7750 4.9132 4.9523 5.0978 5.1054 5.5862 5.5993 7.6529 7.8101 8.9962 9.0011 9.1788 9.2897 9.3456 9.4054 k = 0.1742-0.3029 0.8037 ( 5615 PWs) bands (ev): -6.6436 -6.6375 -5.4424 -5.4365 -5.0272 -5.0253 -1.9492 -1.9046 0.8518 1.0009 1.2863 1.3369 1.8150 1.9485 2.7109 2.7900 2.8725 2.9008 3.0309 3.1236 3.1945 3.2148 3.3048 3.3134 3.8640 3.9391 3.9836 4.0365 4.0801 4.1202 4.1390 4.1573 4.3186 4.3247 4.7367 4.7525 4.8107 4.8121 4.9193 4.9492 5.1211 5.1239 5.6186 5.6329 7.5976 7.7695 8.9527 8.9621 9.1585 9.2691 9.3016 9.3650 k = 0.1807-0.3143 0.7852 ( 5621 PWs) bands (ev): -6.6852 -6.6793 -5.4435 -5.4378 -5.0434 -5.0415 -1.8723 -1.8250 0.8711 1.0236 1.2610 1.3093 1.8397 1.9729 2.7468 2.8054 2.8879 2.9017 3.0439 3.1384 3.2002 3.2180 3.3062 3.3155 3.8681 3.9416 3.9835 4.0379 4.0833 4.1218 4.1372 4.1573 4.3136 4.3187 4.7596 4.7644 4.8415 4.8457 4.9431 4.9627 5.1468 5.1484 5.6540 5.6686 7.5261 7.7113 8.8934 8.9189 9.1386 9.2386 9.2811 9.3352 k = 0.1873-0.3256 0.7668 ( 5624 PWs) bands (ev): -6.7251 -6.7195 -5.4456 -5.4402 -5.0593 -5.0574 -1.7962 -1.7465 0.8936 1.0481 1.2365 1.2827 1.8638 1.9945 2.7818 2.8190 2.9044 2.9076 3.0564 3.1517 3.2049 3.2209 3.3083 3.3179 3.8732 3.9438 3.9841 4.0395 4.0869 4.1227 4.1358 4.1575 4.3087 4.3121 4.7683 4.7787 4.8572 4.8581 4.9894 5.0028 5.1737 5.1788 5.6918 5.7056 7.4388 7.6347 8.8300 8.8706 9.1197 9.2167 9.2630 9.3141 k = 0.1938-0.3370 0.7483 ( 5622 PWs) bands (ev): -6.7632 -6.7579 -5.4486 -5.4434 -5.0748 -5.0730 -1.7215 -1.6698 0.9193 1.0740 1.2130 1.2581 1.8868 2.0130 2.8155 2.8324 2.9094 2.9303 3.0683 3.1635 3.2086 3.2233 3.3112 3.3206 3.8790 3.9458 3.9853 4.0413 4.0908 4.1230 4.1349 4.1580 4.3040 4.3049 4.7666 4.7923 4.8578 4.8678 5.0490 5.0608 5.2041 5.2115 5.7315 5.7432 7.3377 7.5404 8.7686 8.8211 9.1008 9.2045 9.2427 9.3002 k = 0.2004-0.3484 0.7299 ( 5623 PWs) bands (ev): -6.7995 -6.7944 -5.4524 -5.4474 -5.0898 -5.0881 -1.6489 -1.5954 0.9482 1.0995 1.1914 1.2379 1.9083 2.0279 2.8464 2.8472 2.9173 2.9545 3.0793 3.1737 3.2114 3.2253 3.3148 3.3236 3.8855 3.9475 3.9870 4.0433 4.0948 4.1227 4.1343 4.1588 4.2973 4.2996 4.7607 4.7970 4.8601 4.8767 5.1143 5.1269 5.2377 5.2462 5.7724 5.7808 7.2251 7.4307 8.7125 8.7729 9.0805 9.1974 9.2218 9.2925 k = 0.2069-0.3597 0.7114 ( 5621 PWs) bands (ev): -6.8338 -6.8290 -5.4566 -5.4520 -5.1044 -5.1027 -1.5788 -1.5242 0.9794 1.1192 1.1729 1.2279 1.9279 2.0393 2.8622 2.8746 2.9294 2.9793 3.0895 3.1822 3.2134 3.2270 3.3191 3.3268 3.8923 3.9488 3.9892 4.0455 4.0989 4.1219 4.1336 4.1598 4.2891 4.2955 4.7521 4.7921 4.8691 4.8866 5.1808 5.1958 5.2751 5.2838 5.8140 5.8179 7.1042 7.3088 8.6626 8.7270 9.0573 9.1793 9.2146 9.2905 k = 0.2134-0.3711 0.6930 ( 5627 PWs) bands (ev): -6.8662 -6.8617 -5.4613 -5.4569 -5.1183 -5.1167 -1.5118 -1.4566 1.0104 1.1241 1.1604 1.2371 1.9456 2.0473 2.8792 2.8969 2.9468 3.0041 3.0988 3.1890 3.2146 3.2287 3.3239 3.3300 3.8993 3.9498 3.9918 4.0478 4.1029 4.1208 4.1328 4.1611 4.2804 4.2918 4.7420 4.7815 4.8825 4.8976 5.2432 5.2608 5.3206 5.3273 5.8539 5.8561 6.9784 7.1786 8.6182 8.6836 9.0305 9.1474 9.2226 9.2938 k = 0.2200-0.3825 0.6745 ( 5625 PWs) bands (ev): -6.8965 -6.8923 -5.4662 -5.4621 -5.1316 -5.1301 -1.4484 -1.3932 1.0349 1.1143 1.1603 1.2657 1.9612 2.0521 2.8972 2.9139 2.9689 3.0283 3.1073 3.1940 3.2153 3.2307 3.3291 3.3334 3.9063 3.9504 3.9947 4.0503 4.1068 4.1195 4.1318 4.1627 4.2712 4.2884 4.7314 4.7687 4.8975 4.9095 5.2945 5.3122 5.3819 5.3825 5.8886 5.8982 6.8510 7.0441 8.5781 8.6424 8.9994 9.1090 9.2375 9.3017 k = 0.2265-0.3938 0.6561 ( 5627 PWs) bands (ev): -6.9248 -6.9209 -5.4713 -5.4675 -5.1442 -5.1427 -1.3889 -1.3345 1.0445 1.0979 1.1811 1.3054 1.9750 2.0542 2.9155 2.9278 2.9931 3.0517 3.1149 3.1972 3.2154 3.2330 3.3344 3.3368 3.9130 3.9506 3.9978 4.0529 4.1104 4.1180 4.1306 4.1644 4.2614 4.2853 4.7206 4.7552 4.9129 4.9221 5.3336 5.3517 5.4487 5.4562 5.9215 5.9403 6.7255 6.9086 8.5412 8.6028 8.9640 9.0655 9.2570 9.3134 k = 0.2330-0.4052 0.6376 ( 5635 PWs) bands (ev): -6.9509 -6.9473 -5.4763 -5.4728 -5.1559 -5.1546 -1.3336 -1.2808 1.0406 1.0798 1.2212 1.3509 1.9871 2.0541 2.9337 2.9401 3.0174 3.0738 3.1219 3.1989 3.2150 3.2356 3.3397 3.3403 3.9191 3.9503 4.0010 4.0553 4.1138 4.1160 4.1295 4.1662 4.2509 4.2824 4.7102 4.7418 4.9277 4.9348 5.3650 5.3859 5.5203 5.5347 5.9523 5.9821 6.6050 6.7756 8.5066 8.5647 8.9243 9.0175 9.2799 9.3276 k = 0.2396-0.4166 0.6192 ( 5631 PWs) bands (ev): -6.9749 -6.9716 -5.4813 -5.4781 -5.1668 -5.1656 -1.2829 -1.2323 1.0305 1.0617 1.2727 1.3999 1.9977 2.0523 2.9508 2.9517 3.0406 3.0944 3.1284 3.1993 3.2142 3.2383 3.3434 3.3454 3.9247 3.9496 4.0043 4.0574 4.1136 4.1171 4.1289 4.1681 4.2398 4.2794 4.7004 4.7290 4.9412 4.9470 5.3919 5.4169 5.5929 5.6137 5.9807 6.0238 6.4931 6.6479 8.4738 8.5277 8.8809 8.9655 9.3049 9.3432 k = 0.2461-0.4279 0.6007 ( 5633 PWs) bands (ev): -6.9966 -6.9936 -5.4860 -5.4831 -5.1769 -5.1757 -1.2368 -1.1892 1.0186 1.0444 1.3305 1.4507 2.0070 2.0492 2.9619 2.9672 3.0622 3.1127 3.1351 3.1990 3.2131 3.2407 3.3467 3.3507 3.9294 3.9483 4.0076 4.0587 4.1109 4.1201 4.1288 4.1698 4.2282 4.2760 4.6913 4.7170 4.9527 4.9580 5.4157 5.4451 5.6636 5.6904 6.0062 6.0652 6.3934 6.5281 8.4425 8.4918 8.8344 8.9103 9.3306 9.3588 k = 0.2526-0.4393 0.5823 ( 5630 PWs) bands (ev): -7.0161 -7.0135 -5.4905 -5.4879 -5.1859 -5.1849 -1.1954 -1.1514 1.0067 1.0284 1.3917 1.5019 2.0154 2.0454 2.9714 2.9814 3.0820 3.1269 3.1438 3.1981 3.2117 3.2427 3.3500 3.3556 3.9332 3.9466 4.0108 4.0591 4.1082 4.1229 4.1293 4.1712 4.2162 4.2721 4.6832 4.7059 4.9615 4.9668 5.4371 5.4705 5.7302 5.7618 6.0276 6.1062 6.3105 6.4188 8.4128 8.4573 8.7857 8.8528 9.3554 9.3733 k = 0.2592-0.4507 0.5638 ( 5632 PWs) bands (ev): -7.0334 -7.0310 -5.4946 -5.4923 -5.1940 -5.1931 -1.1588 -1.1190 0.9956 1.0139 1.4542 1.5519 2.0230 2.0414 2.9799 2.9936 3.0996 3.1355 3.1560 3.1969 3.2100 3.2441 3.3533 3.3602 3.9360 3.9445 4.0138 4.0581 4.1059 4.1255 4.1304 4.1720 4.2045 4.2672 4.6760 4.6959 4.9671 4.9728 5.4567 5.4930 5.7910 5.8240 6.0425 6.1455 6.2513 6.3229 8.3849 8.4244 8.7360 8.7944 9.3779 9.3857 k = 0.2657-0.4620 0.5454 ( 5634 PWs) bands (ev): -7.0484 -7.0464 -5.4983 -5.4963 -5.2011 -5.2003 -1.1269 -1.0919 0.9857 1.0010 1.5158 1.5992 2.0298 2.0376 2.9873 3.0033 3.1152 3.1411 3.1692 3.1955 3.2082 3.2447 3.3565 3.3642 3.9378 3.9419 4.0166 4.0556 4.1044 4.1277 4.1320 4.1714 4.1944 4.2613 4.6700 4.6869 4.9694 4.9755 5.4749 5.5123 5.8442 5.8717 6.0475 6.1743 6.2234 6.2501 8.3592 8.3936 8.6869 8.7367 9.3953 9.3964 k = 0.2723-0.4734 0.5269 ( 5628 PWs) bands (ev): -7.0611 -7.0594 -5.5014 -5.4998 -5.2072 -5.2065 -1.0996 -1.0698 0.9773 0.9897 1.5743 1.6420 2.0345 2.0358 2.9936 3.0106 3.1285 3.1454 3.1815 3.1941 3.2064 3.2443 3.3596 3.3675 3.9385 3.9392 4.0191 4.0519 4.1040 4.1293 4.1340 4.1674 4.1888 4.2542 4.6650 4.6791 4.9686 4.9749 5.4919 5.5283 5.8885 5.9001 6.0459 6.1471 6.2271 6.2460 8.3363 8.3655 8.6402 8.6816 9.4021 9.4100 k = 0.2788-0.4848 0.5085 ( 5631 PWs) bands (ev): -7.0714 -7.0701 -5.5041 -5.5027 -5.2121 -5.2116 -1.0769 -1.0526 0.9705 0.9803 1.6273 1.6789 2.0327 2.0406 2.9990 3.0153 3.1396 3.1493 3.1920 3.1929 3.2049 3.2430 3.3626 3.3700 3.9364 3.9384 4.0214 4.0473 4.1045 4.1297 4.1362 4.1604 4.1884 4.2461 4.6612 4.6725 4.9656 4.9716 5.5077 5.5408 5.9097 5.9220 6.0466 6.0974 6.2502 6.2762 8.3168 8.3408 8.5981 8.6313 9.4066 9.4183 k = 0.2853-0.4961 0.4900 ( 5633 PWs) bands (ev): -7.0795 -7.0784 -5.5061 -5.5051 -5.2160 -5.2156 -1.0586 -1.0402 0.9653 0.9726 1.6723 1.7085 2.0324 2.0438 3.0037 3.0177 3.1482 3.1528 3.1919 3.1979 3.2067 3.2406 3.3654 3.3717 3.9341 3.9373 4.0236 4.0426 4.1058 4.1281 4.1385 4.1540 4.1911 4.2371 4.6585 4.6670 4.9616 4.9667 5.5221 5.5495 5.9099 5.9418 6.0502 6.0614 6.2801 6.3052 8.3016 8.3200 8.5630 8.5880 9.4096 9.4218 k = 0.2919-0.5075 0.4716 ( 5628 PWs) bands (ev): -7.0852 -7.0845 -5.5075 -5.5069 -5.2187 -5.2185 -1.0447 -1.0323 0.9620 0.9668 1.7072 1.7296 2.0341 2.0449 3.0077 3.0180 3.1543 3.1558 3.1916 3.1974 3.2136 3.2371 3.3679 3.3725 3.9325 3.9357 4.0258 4.0381 4.1080 4.1244 4.1407 4.1497 4.1958 4.2278 4.6570 4.6627 4.9579 4.9616 5.5347 5.5542 5.9095 5.9442 6.0456 6.0529 6.3082 6.3270 8.2912 8.3038 8.5370 8.5538 9.4120 9.4219 k = 0.2984-0.5189 0.4531 ( 5628 PWs) bands (ev): -7.0885 -7.0882 -5.5083 -5.5080 -5.2204 -5.2202 -1.0351 -1.0289 0.9604 0.9628 1.7305 1.7409 2.0372 2.0438 3.0113 3.0168 3.1577 3.1580 3.1922 3.1955 3.2207 3.2326 3.3699 3.3723 3.9320 3.9339 4.0281 4.0342 4.1111 4.1196 4.1429 4.1470 4.2022 4.2185 4.6567 4.6595 4.9555 4.9575 5.5447 5.5549 5.9132 5.9340 6.0453 6.0528 6.3291 6.3391 8.2861 8.2925 8.5223 8.5307 9.4145 9.4199 k = 0.3049-0.5302 0.4347 ( 5624 PWs) bands (ev): -7.0895 -7.0895 -5.5085 -5.5085 -5.2209 -5.2209 -1.0299 -1.0299 0.9607 0.9607 1.7415 1.7416 2.0408 2.0409 3.0140 3.0149 3.1587 3.1589 3.1932 3.1940 3.2271 3.2272 3.3714 3.3715 3.9324 3.9328 4.0308 4.0309 4.1148 4.1152 4.1449 4.1450 4.2097 4.2099 4.6575 4.6576 4.9553 4.9554 5.5516 5.5516 5.9216 5.9220 6.0495 6.0498 6.3398 6.3399 8.2866 8.2866 8.5200 8.5201 9.4172 9.4172 k = 0.6951-0.0516 0.2780 ( 5624 PWs) bands (ev): -7.0895 -7.0895 -5.5085 -5.5085 -5.2209 -5.2209 -1.0299 -1.0299 0.9607 0.9607 1.7415 1.7416 2.0408 2.0409 3.0140 3.0149 3.1587 3.1589 3.1932 3.1940 3.2271 3.2272 3.3714 3.3715 3.9324 3.9328 4.0308 4.0309 4.1148 4.1152 4.1449 4.1450 4.2097 4.2099 4.6575 4.6576 4.9553 4.9554 5.5516 5.5516 5.9216 5.9220 6.0495 6.0498 6.3398 6.3399 8.2866 8.2866 8.5200 8.5201 9.4172 9.4172 k = 0.6858-0.0354 0.2648 ( 5628 PWs) bands (ev): -7.0948 -7.0948 -5.4866 -5.4866 -5.2369 -5.2369 -1.0303 -1.0303 0.9984 0.9985 1.7146 1.7147 2.0356 2.0358 3.0135 3.0143 3.1548 3.1550 3.1946 3.1951 3.2301 3.2305 3.3747 3.3748 3.9312 3.9316 4.0294 4.0295 4.1105 4.1109 4.1453 4.1456 4.2091 4.2094 4.6289 4.6290 5.0026 5.0027 5.5448 5.5448 5.8955 5.8958 6.0444 6.0446 6.3653 6.3654 8.2537 8.2537 8.5295 8.5296 9.3615 9.3615 k = 0.6765-0.0193 0.2516 ( 5634 PWs) bands (ev): -7.1012 -7.1012 -5.4625 -5.4625 -5.2526 -5.2526 -1.0344 -1.0343 1.0389 1.0389 1.6923 1.6923 2.0306 2.0307 3.0098 3.0105 3.1487 3.1490 3.1941 3.1944 3.2341 3.2347 3.3782 3.3783 3.9285 3.9289 4.0282 4.0283 4.1064 4.1068 4.1453 4.1457 4.2115 4.2119 4.6038 4.6039 5.0500 5.0501 5.5403 5.5403 5.8637 5.8640 6.0315 6.0317 6.3888 6.3888 8.2230 8.2230 8.5551 8.5551 9.3078 9.3079 k = 0.6672-0.0031 0.2383 ( 5622 PWs) bands (ev): -7.1085 -7.1085 -5.4365 -5.4365 -5.2679 -5.2679 -1.0421 -1.0421 1.0819 1.0819 1.6747 1.6748 2.0256 2.0258 3.0027 3.0033 3.1409 3.1413 3.1922 3.1923 3.2385 3.2392 3.3820 3.3821 3.9244 3.9248 4.0275 4.0278 4.1027 4.1031 4.1448 4.1453 4.2168 4.2172 4.5824 4.5825 5.0965 5.0966 5.5379 5.5379 5.8286 5.8288 6.0089 6.0090 6.4109 6.4109 8.1953 8.1954 8.5959 8.5959 9.2565 9.2565 k = 0.6579 0.0130 0.2251 ( 5618 PWs) bands (ev): -7.1165 -7.1165 -5.4088 -5.4088 -5.2828 -5.2828 -1.0533 -1.0533 1.1271 1.1271 1.6619 1.6620 2.0207 2.0209 2.9920 2.9925 3.1317 3.1322 3.1891 3.1892 3.2429 3.2437 3.3861 3.3862 3.9190 3.9194 4.0275 4.0278 4.0994 4.0998 4.1438 4.1443 4.2247 4.2252 4.5648 4.5650 5.1411 5.1413 5.5370 5.5370 5.7915 5.7917 5.9765 5.9766 6.4322 6.4323 8.1714 8.1715 8.6504 8.6504 9.2079 9.2079 k = 0.6486 0.0292 0.2118 ( 5618 PWs) bands (ev): -7.1251 -7.1251 -5.3799 -5.3799 -5.2972 -5.2972 -1.0678 -1.0678 1.1744 1.1744 1.6540 1.6541 2.0160 2.0161 2.9774 2.9778 3.1214 3.1220 3.1856 3.1857 3.2471 3.2479 3.3905 3.3906 3.9125 3.9129 4.0280 4.0283 4.0966 4.0969 4.1425 4.1430 4.2350 4.2355 4.5510 4.5512 5.1828 5.1829 5.5370 5.5370 5.7539 5.7541 5.9354 5.9354 6.4531 6.4531 8.1519 8.1519 8.7170 8.7170 9.1627 9.1627 k = 0.6393 0.0453 0.1986 ( 5622 PWs) bands (ev): -7.1340 -7.1340 -5.3501 -5.3501 -5.3110 -5.3109 -1.0852 -1.0852 1.2233 1.2233 1.6508 1.6508 2.0115 2.0116 2.9587 2.9589 3.1101 3.1109 3.1818 3.1819 3.2510 3.2518 3.3951 3.3953 3.9053 3.9057 4.0288 4.0292 4.0942 4.0944 4.1410 4.1415 4.2475 4.2481 4.5411 4.5413 5.2200 5.2202 5.5365 5.5365 5.7178 5.7179 5.8872 5.8872 6.4734 6.4734 8.1369 8.1369 8.7939 8.7939 9.1216 9.1216 k = 0.6300 0.0615 0.1854 ( 5626 PWs) bands (ev): -7.1431 -7.1431 -5.3250 -5.3248 -5.3190 -5.3189 -1.1051 -1.1051 1.2735 1.2736 1.6521 1.6522 2.0072 2.0074 2.9356 2.9358 3.0984 3.0992 3.1780 3.1781 3.2548 3.2555 3.4000 3.4001 3.8979 3.8982 4.0297 4.0301 4.0921 4.0923 4.1395 4.1400 4.2622 4.2628 4.5349 4.5351 5.2509 5.2511 5.5336 5.5337 5.6860 5.6860 5.8341 5.8342 6.4930 6.4930 8.1267 8.1267 8.8789 8.8789 9.0856 9.0856 k = 0.6207 0.0776 0.1721 ( 5618 PWs) bands (ev): -7.1522 -7.1522 -5.3369 -5.3368 -5.2889 -5.2889 -1.1271 -1.1271 1.3245 1.3246 1.6578 1.6579 2.0034 2.0035 2.9083 2.9084 3.0863 3.0872 3.1745 3.1745 3.2583 3.2590 3.4049 3.4050 3.8904 3.8907 4.0305 4.0309 4.0904 4.0906 4.1381 4.1387 4.2791 4.2796 4.5325 4.5327 5.2729 5.2731 5.5259 5.5261 5.6612 5.6614 5.7793 5.7794 6.5118 6.5118 8.1211 8.1211 8.9669 8.9669 9.0588 9.0588 k = 0.6115 0.0938 0.1589 ( 5626 PWs) bands (ev): -7.1613 -7.1613 -5.3486 -5.3486 -5.2586 -5.2586 -1.1506 -1.1506 1.3757 1.3758 1.6678 1.6680 2.0001 2.0002 2.8768 2.8769 3.0741 3.0750 3.1711 3.1712 3.2616 3.2623 3.4098 3.4099 3.8831 3.8834 4.0309 4.0314 4.0891 4.0892 4.1369 4.1374 4.2980 4.2986 4.5337 4.5340 5.2826 5.2828 5.5128 5.5129 5.6434 5.6437 5.7285 5.7288 6.5296 6.5296 8.1197 8.1197 9.0104 9.0104 9.0879 9.0879 k = 0.6022 0.1099 0.1456 ( 5618 PWs) bands (ev): -7.1700 -7.1700 -5.3597 -5.3596 -5.2287 -5.2287 -1.1750 -1.1750 1.4260 1.4262 1.6822 1.6825 1.9974 1.9976 2.8414 2.8415 3.0619 3.0628 3.1681 3.1681 3.2648 3.2655 3.4146 3.4147 3.8762 3.8765 4.0310 4.0314 4.0882 4.0883 4.1358 4.1363 4.3192 4.3197 4.5386 4.5388 5.2768 5.2769 5.4949 5.4949 5.6236 5.6240 5.6943 5.6947 6.5463 6.5463 8.1218 8.1218 8.9977 8.9977 9.1828 9.1829 k = 0.5929 0.1261 0.1324 ( 5626 PWs) bands (ev): -7.1784 -7.1784 -5.3699 -5.3699 -5.1999 -5.1999 -1.1999 -1.1999 1.4743 1.4745 1.7014 1.7016 1.9956 1.9957 2.8025 2.8027 3.0499 3.0508 3.1653 3.1654 3.2678 3.2684 3.4193 3.4194 3.8697 3.8699 4.0305 4.0309 4.0876 4.0877 4.1349 4.1353 4.3424 4.3429 4.5468 4.5471 5.2551 5.2552 5.4685 5.4686 5.5987 5.5988 5.6849 5.6852 6.5617 6.5617 8.1268 8.1268 8.9859 8.9859 9.2796 9.2796 k = 0.5836 0.1422 0.1192 ( 5628 PWs) bands (ev): -7.1864 -7.1864 -5.3792 -5.3792 -5.1723 -5.1723 -1.2245 -1.2245 1.5190 1.5193 1.7257 1.7261 1.9948 1.9949 2.7605 2.7607 3.0382 3.0390 3.1628 3.1629 3.2707 3.2712 3.4238 3.4239 3.8638 3.8640 4.0297 4.0301 4.0873 4.0874 4.1342 4.1346 4.3678 4.3683 4.5586 4.5589 5.2207 5.2208 5.4275 5.4278 5.5837 5.5837 5.6891 5.6893 6.5757 6.5757 8.1337 8.1337 8.9805 8.9805 9.3244 9.3245 k = 0.5743 0.1584 0.1059 ( 5620 PWs) bands (ev): -7.1937 -7.1937 -5.3877 -5.3877 -5.1465 -5.1465 -1.2484 -1.2484 1.5584 1.5587 1.7558 1.7562 1.9954 1.9955 2.7158 2.7160 3.0269 3.0277 3.1607 3.1607 3.2733 3.2738 3.4280 3.4280 3.8585 3.8587 4.0285 4.0289 4.0873 4.0874 4.1337 4.1341 4.3953 4.3957 4.5736 4.5739 5.1779 5.1781 5.3747 5.3750 5.5812 5.5813 5.6982 5.6984 6.5884 6.5884 8.1415 8.1415 8.9825 8.9825 9.3099 9.3099 k = 0.5650 0.1745 0.0927 ( 5620 PWs) bands (ev): -7.2004 -7.2004 -5.3953 -5.3953 -5.1227 -5.1227 -1.2710 -1.2710 1.5914 1.5917 1.7912 1.7916 1.9979 1.9981 2.6689 2.6691 3.0162 3.0169 3.1588 3.1589 3.2757 3.2762 3.4318 3.4319 3.8538 3.8539 4.0272 4.0275 4.0875 4.0876 4.1333 4.1336 4.4246 4.4251 4.5916 4.5920 5.1303 5.1306 5.3168 5.3171 5.5855 5.5856 5.7090 5.7091 6.5996 6.5996 8.1494 8.1494 8.9919 8.9920 9.2886 9.2886 k = 0.5557 0.1907 0.0794 ( 5608 PWs) bands (ev): -7.2063 -7.2063 -5.4019 -5.4019 -5.1013 -5.1013 -1.2917 -1.2917 1.6179 1.6182 1.8299 1.8304 2.0034 2.0036 2.6203 2.6205 3.0064 3.0070 3.1573 3.1573 3.2780 3.2783 3.4353 3.4353 3.8497 3.8499 4.0257 4.0260 4.0878 4.0878 4.1331 4.1333 4.4557 4.4562 4.6125 4.6129 5.0806 5.0809 5.2581 5.2584 5.5924 5.5924 5.7199 5.7200 6.6093 6.6094 8.1567 8.1567 9.0081 9.0081 9.2687 9.2687 k = 0.5464 0.2068 0.0662 ( 5612 PWs) bands (ev): -7.2114 -7.2114 -5.4075 -5.4075 -5.0827 -5.0827 -1.3101 -1.3101 1.6386 1.6389 1.8682 1.8686 2.0137 2.0139 2.5706 2.5708 2.9976 2.9982 3.1560 3.1560 3.2799 3.2802 3.4382 3.4383 3.8463 3.8464 4.0243 4.0245 4.0880 4.0881 4.1329 4.1331 4.4881 4.4886 4.6358 4.6363 5.0304 5.0308 5.2011 5.2015 5.5997 5.5997 5.7300 5.7301 6.6176 6.6176 8.1630 8.1630 9.0297 9.0297 9.2516 9.2516 k = 0.5372 0.2230 0.0530 ( 5614 PWs) bands (ev): -7.2157 -7.2157 -5.4122 -5.4122 -5.0670 -5.0670 -1.3258 -1.3258 1.6545 1.6547 1.9008 1.9011 2.0319 2.0321 2.5210 2.5212 2.9901 2.9905 3.1549 3.1549 3.2815 3.2817 3.4407 3.4407 3.8434 3.8435 4.0230 4.0232 4.0883 4.0883 4.1328 4.1330 4.5211 4.5215 4.6608 4.6613 4.9814 4.9818 5.1479 5.1483 5.6064 5.6065 5.7388 5.7388 6.6244 6.6244 8.1680 8.1680 9.0544 9.0544 9.2380 9.2380 k = 0.5279 0.2391 0.0397 ( 5622 PWs) bands (ev): -7.2191 -7.2191 -5.4158 -5.4158 -5.0545 -5.0545 -1.3384 -1.3384 1.6663 1.6664 1.9234 1.9236 2.0592 2.0593 2.4730 2.4732 2.9840 2.9843 3.1541 3.1541 3.2827 3.2829 3.4426 3.4427 3.8412 3.8413 4.0219 4.0221 4.0885 4.0885 4.1327 4.1328 4.5533 4.5537 4.6865 4.6870 4.9354 4.9359 5.1006 5.1009 5.6121 5.6121 5.7459 5.7459 6.6296 6.6296 8.1716 8.1716 9.0791 9.0791 9.2284 9.2284 k = 0.5186 0.2553 0.0265 ( 5634 PWs) bands (ev): -7.2215 -7.2215 -5.4184 -5.4184 -5.0454 -5.0454 -1.3476 -1.3476 1.6744 1.6745 1.9365 1.9366 2.0914 2.0915 2.4296 2.4298 2.9795 2.9797 3.1535 3.1535 3.2836 3.2838 3.4440 3.4440 3.8396 3.8397 4.0211 4.0212 4.0886 4.0887 4.1327 4.1328 4.5822 4.5825 4.7108 4.7114 4.8949 4.8953 5.0618 5.0621 5.6163 5.6163 5.7510 5.7510 6.6334 6.6334 8.1741 8.1741 9.0998 9.0999 9.2230 9.2230 k = 0.5093 0.2714 0.0132 ( 5626 PWs) bands (ev): -7.2230 -7.2230 -5.4200 -5.4200 -5.0399 -5.0399 -1.3532 -1.3532 1.6791 1.6792 1.9429 1.9429 2.1192 2.1192 2.3969 2.3970 2.9768 2.9769 3.1532 3.1532 3.2842 3.2843 3.4449 3.4449 3.8387 3.8388 4.0206 4.0206 4.0888 4.0888 4.1327 4.1328 4.6036 4.6038 4.7304 4.7309 4.8645 4.8649 5.0357 5.0358 5.6189 5.6189 5.7542 5.7542 6.6357 6.6357 8.1756 8.1756 9.1134 9.1134 9.2211 9.2211 k = 0.5000 0.2876-0.0000 ( 5626 PWs) bands (ev): -7.2234 -7.2234 -5.4205 -5.4205 -5.0381 -5.0381 -1.3551 -1.3551 1.6807 1.6807 1.9448 1.9448 2.1306 2.1306 2.3841 2.3841 2.9759 2.9759 3.1530 3.1530 3.2845 3.2845 3.4452 3.4452 3.8384 3.8384 4.0204 4.0204 4.0888 4.0888 4.1327 4.1327 4.6119 4.6119 4.7388 4.7388 4.8526 4.8526 5.0263 5.0263 5.6198 5.6198 5.7553 5.7553 6.6364 6.6364 8.1760 8.1760 9.1180 9.1180 9.2208 9.2208 Writing output data file Cu2GeTe3.save init_run : 2.83s CPU 12.19s WALL ( 1 calls) electrons : 878.02s CPU 885.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 1.62s WALL ( 1 calls) Called by electrons: c_bands : 877.95s CPU 884.95s WALL ( 1 calls) v_of_rho : 0.11s CPU 1.02s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.10s CPU 0.63s WALL ( 1 calls) newd : 0.40s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.09s WALL ( 337 calls) cegterg : 811.86s CPU 816.11s WALL ( 645 calls) Called by sum_band: Called by *egterg: h_psi : 545.44s CPU 552.35s WALL ( 9290 calls) s_psi : 21.30s CPU 21.55s WALL ( 9290 calls) g_psi : 0.72s CPU 0.78s WALL ( 8308 calls) cdiaghg : 187.88s CPU 186.16s WALL ( 8645 calls) cegterg:over : 55.21s CPU 52.94s WALL ( 8308 calls) cegterg:upda : 13.52s CPU 15.97s WALL ( 8308 calls) cegterg:last : 10.97s CPU 11.58s WALL ( 1686 calls) Called by h_psi: h_psi:vloc : 490.91s CPU 496.14s WALL ( 9290 calls) h_psi:vnl : 54.18s CPU 55.39s WALL ( 9290 calls) add_vuspsi : 17.52s CPU 20.71s WALL ( 9290 calls) General routines calbec : 36.62s CPU 34.57s WALL ( 9290 calls) fft : 0.58s CPU 1.34s WALL ( 19 calls) ffts : 0.01s CPU 0.06s WALL ( 4 calls) fftw : 465.69s CPU 468.63s WALL ( 1105356 calls) interpolate : 0.04s CPU 0.10s WALL ( 4 calls) davcio : 0.03s CPU 1.41s WALL ( 674 calls) Parallel routines fft_scatter : 271.10s CPU 266.89s WALL ( 1105379 calls) PWSCF : 15m40.41s CPU 18m22.09s WALL This run was terminated on: 7:53:15 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=