Program PWSCF v.5.1.1 starts on 24Oct2015 at 0:56:44 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: ./Al2CdTe4.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 196 46 13 8459 970 148 Max 197 47 14 8461 1000 150 Sum 9425 2243 633 406077 47133 7149 bravais-lattice index = 14 lattice parameter (alat) = 14.0575 a.u. unit-cell volume = 1488.5918 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.057464 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.673527 celldm(5)= -0.673527 celldm(6)= 0.347054 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.347054 0.937845 0.000000 ) a(3) = ( -0.673527 -0.468923 0.571378 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.370055 0.875077 ) b(2) = ( 0.000000 1.066274 0.875077 ) b(3) = ( 0.000000 0.000000 1.750155 ) PseudoPot. # 1 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Cd 12.00 112.41100 Cd( 1.00) Te 6.00 127.60000 Te( 1.00) Al 3.00 26.98150 Al( 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= 255 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 2) = ( 0.0000000 0.0000000 0.0236507), wk = 0.0039216 k( 3) = ( 0.0000000 0.0000000 0.0473015), wk = 0.0039216 k( 4) = ( 0.0000000 0.0000000 0.0709522), wk = 0.0039216 k( 5) = ( 0.0000000 0.0000000 0.0946029), wk = 0.0039216 k( 6) = ( 0.0000000 0.0000000 0.1182537), wk = 0.0039216 k( 7) = ( 0.0000000 0.0000000 0.1419044), wk = 0.0039216 k( 8) = ( 0.0000000 0.0000000 0.1655552), wk = 0.0039216 k( 9) = ( 0.0000000 0.0000000 0.1892059), wk = 0.0039216 k( 10) = ( 0.0000000 0.0000000 0.2128566), wk = 0.0039216 k( 11) = ( 0.0000000 0.0000000 0.2365074), wk = 0.0039216 k( 12) = ( 0.0000000 0.0000000 0.2601581), wk = 0.0039216 k( 13) = ( 0.0000000 0.0000000 0.2838088), wk = 0.0039216 k( 14) = ( 0.0000000 0.0000000 0.3074596), wk = 0.0039216 k( 15) = ( 0.0000000 0.0000000 0.3311103), wk = 0.0039216 k( 16) = ( 0.0000000 0.0000000 0.3547611), wk = 0.0039216 k( 17) = ( 0.0000000 0.0000000 0.3784118), wk = 0.0039216 k( 18) = ( 0.0000000 0.0000000 0.4020625), wk = 0.0039216 k( 19) = ( 0.0000000 0.0000000 0.4257133), wk = 0.0039216 k( 20) = ( 0.0000000 0.0000000 0.4493640), wk = 0.0039216 k( 21) = ( 0.0000000 0.0000000 0.4730148), wk = 0.0039216 k( 22) = ( 0.0000000 0.0000000 0.4966655), wk = 0.0039216 k( 23) = ( 0.0000000 0.0000000 0.5203162), wk = 0.0039216 k( 24) = ( 0.0000000 0.0000000 0.5439670), wk = 0.0039216 k( 25) = ( 0.0000000 0.0000000 0.5676177), wk = 0.0039216 k( 26) = ( 0.0000000 0.0000000 0.5912684), wk = 0.0039216 k( 27) = ( 0.0000000 0.0000000 0.6149192), wk = 0.0039216 k( 28) = ( 0.0000000 0.0000000 0.6385699), wk = 0.0039216 k( 29) = ( 0.0000000 0.0000000 0.6622207), wk = 0.0039216 k( 30) = ( 0.0000000 0.0000000 0.6858714), wk = 0.0039216 k( 31) = ( 0.0000000 0.0000000 0.7095221), wk = 0.0039216 k( 32) = ( 0.0000000 0.0000000 0.7331729), wk = 0.0039216 k( 33) = ( 0.0000000 0.0000000 0.7568236), wk = 0.0039216 k( 34) = ( 0.0000000 0.0000000 0.7804744), wk = 0.0039216 k( 35) = ( 0.0000000 0.0000000 0.8041251), wk = 0.0039216 k( 36) = ( 0.0000000 0.0000000 0.8277758), wk = 0.0039216 k( 37) = ( 0.0000000 0.0000000 0.8514266), wk = 0.0039216 k( 38) = ( 0.0000000 0.0000000 0.8750773), wk = 0.0039216 k( 39) = ( 0.0000000 0.0000000 0.8750773), wk = 0.0039216 k( 40) = ( -0.0134645 0.0193394 0.8750773), wk = 0.0039216 k( 41) = ( -0.0269290 0.0386788 0.8750773), wk = 0.0039216 k( 42) = ( -0.0403934 0.0580183 0.8750773), wk = 0.0039216 k( 43) = ( -0.0538579 0.0773577 0.8750773), wk = 0.0039216 k( 44) = ( -0.0673224 0.0966971 0.8750773), wk = 0.0039216 k( 45) = ( -0.0807869 0.1160366 0.8750773), wk = 0.0039216 k( 46) = ( -0.0942514 0.1353760 0.8750773), wk = 0.0039216 k( 47) = ( -0.1077159 0.1547154 0.8750773), wk = 0.0039216 k( 48) = ( -0.1211803 0.1740548 0.8750773), wk = 0.0039216 k( 49) = ( -0.1211803 0.1740548 0.8750773), wk = 0.0039216 k( 50) = ( -0.1306508 0.1876576 0.8585025), wk = 0.0039216 k( 51) = ( -0.1401213 0.2012603 0.8419277), wk = 0.0039216 k( 52) = ( -0.1495918 0.2148631 0.8253528), wk = 0.0039216 k( 53) = ( -0.1590623 0.2284658 0.8087780), wk = 0.0039216 k( 54) = ( -0.1685328 0.2420685 0.7922032), wk = 0.0039216 k( 55) = ( -0.1780033 0.2556713 0.7756283), wk = 0.0039216 k( 56) = ( -0.1874738 0.2692740 0.7590535), wk = 0.0039216 k( 57) = ( -0.1969443 0.2828768 0.7424787), wk = 0.0039216 k( 58) = ( -0.2064148 0.2964795 0.7259039), wk = 0.0039216 k( 59) = ( -0.2158853 0.3100823 0.7093290), wk = 0.0039216 k( 60) = ( -0.2253557 0.3236850 0.6927542), wk = 0.0039216 k( 61) = ( -0.2348262 0.3372877 0.6761794), wk = 0.0039216 k( 62) = ( -0.2442967 0.3508905 0.6596046), wk = 0.0039216 k( 63) = ( -0.2537672 0.3644932 0.6430298), wk = 0.0039216 k( 64) = ( -0.2632377 0.3780960 0.6264549), wk = 0.0039216 k( 65) = ( -0.2727082 0.3916987 0.6098801), wk = 0.0039216 k( 66) = ( -0.2821787 0.4053014 0.5933053), wk = 0.0039216 k( 67) = ( -0.2916492 0.4189042 0.5767305), wk = 0.0039216 k( 68) = ( -0.3011197 0.4325069 0.5601556), wk = 0.0039216 k( 69) = ( -0.3105902 0.4461097 0.5435808), wk = 0.0039216 k( 70) = ( -0.3105902 0.4461097 0.5435808), wk = 0.0039216 k( 71) = ( -0.3011783 0.4325912 0.5271087), wk = 0.0039216 k( 72) = ( -0.2917665 0.4190727 0.5106365), wk = 0.0039216 k( 73) = ( -0.2823547 0.4055543 0.4941644), wk = 0.0039216 k( 74) = ( -0.2729429 0.3920358 0.4776922), wk = 0.0039216 k( 75) = ( -0.2635310 0.3785173 0.4612201), wk = 0.0039216 k( 76) = ( -0.2541192 0.3649988 0.4447479), wk = 0.0039216 k( 77) = ( -0.2447074 0.3514803 0.4282758), wk = 0.0039216 k( 78) = ( -0.2352956 0.3379619 0.4118036), wk = 0.0039216 k( 79) = ( -0.2258838 0.3244434 0.3953315), wk = 0.0039216 k( 80) = ( -0.2164719 0.3109249 0.3788593), wk = 0.0039216 k( 81) = ( -0.2070601 0.2974064 0.3623872), wk = 0.0039216 k( 82) = ( -0.1976483 0.2838880 0.3459151), wk = 0.0039216 k( 83) = ( -0.1882365 0.2703695 0.3294429), wk = 0.0039216 k( 84) = ( -0.1788246 0.2568510 0.3129708), wk = 0.0039216 k( 85) = ( -0.1694128 0.2433326 0.2964986), wk = 0.0039216 k( 86) = ( -0.1600010 0.2298141 0.2800265), wk = 0.0039216 k( 87) = ( -0.1505892 0.2162956 0.2635543), wk = 0.0039216 k( 88) = ( -0.1411774 0.2027771 0.2470822), wk = 0.0039216 k( 89) = ( -0.1317655 0.1892586 0.2306100), wk = 0.0039216 k( 90) = ( -0.1223537 0.1757402 0.2141379), wk = 0.0039216 k( 91) = ( -0.1129419 0.1622217 0.1976657), wk = 0.0039216 k( 92) = ( -0.1035301 0.1487032 0.1811936), wk = 0.0039216 k( 93) = ( -0.0941182 0.1351847 0.1647215), wk = 0.0039216 k( 94) = ( -0.0847064 0.1216663 0.1482493), wk = 0.0039216 k( 95) = ( -0.0752946 0.1081478 0.1317772), wk = 0.0039216 k( 96) = ( -0.0658828 0.0946293 0.1153050), wk = 0.0039216 k( 97) = ( -0.0564709 0.0811109 0.0988329), wk = 0.0039216 k( 98) = ( -0.0470591 0.0675924 0.0823607), wk = 0.0039216 k( 99) = ( -0.0376473 0.0540739 0.0658886), wk = 0.0039216 k( 100) = ( -0.0282355 0.0405554 0.0494164), wk = 0.0039216 k( 101) = ( -0.0188237 0.0270370 0.0329443), wk = 0.0039216 k( 102) = ( -0.0094118 0.0135185 0.0164721), wk = 0.0039216 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 105) = ( 0.0192308 0.0133888 -0.0000000), wk = 0.0039216 k( 106) = ( 0.0384615 0.0267777 -0.0000000), wk = 0.0039216 k( 107) = ( 0.0576923 0.0401665 -0.0000000), wk = 0.0039216 k( 108) = ( 0.0769231 0.0535553 -0.0000000), wk = 0.0039216 k( 109) = ( 0.0961538 0.0669442 -0.0000000), wk = 0.0039216 k( 110) = ( 0.1153846 0.0803330 -0.0000000), wk = 0.0039216 k( 111) = ( 0.1346154 0.0937218 -0.0000000), wk = 0.0039216 k( 112) = ( 0.1538461 0.1071107 -0.0000000), wk = 0.0039216 k( 113) = ( 0.1730769 0.1204995 0.0000000), wk = 0.0039216 k( 114) = ( 0.1923077 0.1338883 -0.0000000), wk = 0.0039216 k( 115) = ( 0.2115385 0.1472772 -0.0000000), wk = 0.0039216 k( 116) = ( 0.2307692 0.1606660 -0.0000000), wk = 0.0039216 k( 117) = ( 0.2500000 0.1740548 -0.0000000), wk = 0.0039216 k( 118) = ( 0.2692308 0.1874437 0.0000000), wk = 0.0039216 k( 119) = ( 0.2884615 0.2008325 0.0000000), wk = 0.0039216 k( 120) = ( 0.3076923 0.2142213 -0.0000000), wk = 0.0039216 k( 121) = ( 0.3269231 0.2276102 0.0000000), wk = 0.0039216 k( 122) = ( 0.3461538 0.2409990 -0.0000000), wk = 0.0039216 k( 123) = ( 0.3653846 0.2543878 -0.0000000), wk = 0.0039216 k( 124) = ( 0.3846154 0.2677767 -0.0000000), wk = 0.0039216 k( 125) = ( 0.4038462 0.2811655 0.0000000), wk = 0.0039216 k( 126) = ( 0.4230769 0.2945543 -0.0000000), wk = 0.0039216 k( 127) = ( 0.4423077 0.3079432 -0.0000000), wk = 0.0039216 k( 128) = ( 0.4615385 0.3213320 -0.0000000), wk = 0.0039216 k( 129) = ( 0.4807692 0.3347208 -0.0000000), wk = 0.0039216 k( 130) = ( 0.5000000 0.3481097 -0.0000000), wk = 0.0039216 k( 131) = ( 0.5000000 0.3481097 -0.0000000), wk = 0.0039216 k( 132) = ( 0.4905295 0.3617124 0.0165748), wk = 0.0039216 k( 133) = ( 0.4810590 0.3753151 0.0331496), wk = 0.0039216 k( 134) = ( 0.4715885 0.3889179 0.0497245), wk = 0.0039216 k( 135) = ( 0.4621180 0.4025206 0.0662993), wk = 0.0039216 k( 136) = ( 0.4526475 0.4161234 0.0828741), wk = 0.0039216 k( 137) = ( 0.4431771 0.4297261 0.0994489), wk = 0.0039216 k( 138) = ( 0.4337066 0.4433288 0.1160238), wk = 0.0039216 k( 139) = ( 0.4242361 0.4569316 0.1325986), wk = 0.0039216 k( 140) = ( 0.4147656 0.4705343 0.1491734), wk = 0.0039216 k( 141) = ( 0.4052951 0.4841371 0.1657483), wk = 0.0039216 k( 142) = ( 0.3958246 0.4977398 0.1823231), wk = 0.0039216 k( 143) = ( 0.3863541 0.5113426 0.1988979), wk = 0.0039216 k( 144) = ( 0.3768836 0.5249453 0.2154727), wk = 0.0039216 k( 145) = ( 0.3674131 0.5385480 0.2320475), wk = 0.0039216 k( 146) = ( 0.3579426 0.5521508 0.2486224), wk = 0.0039216 k( 147) = ( 0.3484721 0.5657535 0.2651972), wk = 0.0039216 k( 148) = ( 0.3390016 0.5793563 0.2817720), wk = 0.0039216 k( 149) = ( 0.3295311 0.5929590 0.2983468), wk = 0.0039216 k( 150) = ( 0.3200607 0.6065618 0.3149217), wk = 0.0039216 k( 151) = ( 0.3105902 0.6201645 0.3314965), wk = 0.0039216 k( 152) = ( 0.3105902 0.6201645 0.3314965), wk = 0.0039216 k( 153) = ( 0.2898842 0.6143627 0.3385660), wk = 0.0039216 k( 154) = ( 0.2691781 0.6085608 0.3456354), wk = 0.0039216 k( 155) = ( 0.2484721 0.6027590 0.3527049), wk = 0.0039216 k( 156) = ( 0.2277661 0.5969572 0.3597744), wk = 0.0039216 k( 157) = ( 0.2070601 0.5911554 0.3668439), wk = 0.0039216 k( 158) = ( 0.1863541 0.5853535 0.3739134), wk = 0.0039216 k( 159) = ( 0.1656481 0.5795517 0.3809828), wk = 0.0039216 k( 160) = ( 0.1449421 0.5737499 0.3880523), wk = 0.0039216 k( 161) = ( 0.1242361 0.5679480 0.3951218), wk = 0.0039216 k( 162) = ( 0.1035301 0.5621462 0.4021913), wk = 0.0039216 k( 163) = ( 0.0828240 0.5563444 0.4092607), wk = 0.0039216 k( 164) = ( 0.0621180 0.5505426 0.4163302), wk = 0.0039216 k( 165) = ( 0.0414120 0.5447407 0.4233997), wk = 0.0039216 k( 166) = ( 0.0207060 0.5389389 0.4304692), wk = 0.0039216 k( 167) = ( 0.0000000 0.5331371 0.4375386), wk = 0.0039216 k( 168) = ( 0.0000000 0.5331371 0.4375386), wk = 0.0039216 k( 169) = ( 0.0092593 0.5198377 0.4537438), wk = 0.0039216 k( 170) = ( 0.0185185 0.5065384 0.4699489), wk = 0.0039216 k( 171) = ( 0.0277778 0.4932391 0.4861541), wk = 0.0039216 k( 172) = ( 0.0370370 0.4799397 0.5023592), wk = 0.0039216 k( 173) = ( 0.0462963 0.4666404 0.5185643), wk = 0.0039216 k( 174) = ( 0.0555556 0.4533410 0.5347695), wk = 0.0039216 k( 175) = ( 0.0648148 0.4400417 0.5509746), wk = 0.0039216 k( 176) = ( 0.0740741 0.4267423 0.5671797), wk = 0.0039216 k( 177) = ( 0.0833333 0.4134430 0.5833849), wk = 0.0039216 k( 178) = ( 0.0925926 0.4001437 0.5995900), wk = 0.0039216 k( 179) = ( 0.1018518 0.3868443 0.6157951), wk = 0.0039216 k( 180) = ( 0.1111111 0.3735450 0.6320003), wk = 0.0039216 k( 181) = ( 0.1203704 0.3602456 0.6482054), wk = 0.0039216 k( 182) = ( 0.1296296 0.3469463 0.6644105), wk = 0.0039216 k( 183) = ( 0.1388889 0.3336469 0.6806157), wk = 0.0039216 k( 184) = ( 0.1481482 0.3203476 0.6968208), wk = 0.0039216 k( 185) = ( 0.1574074 0.3070483 0.7130259), wk = 0.0039216 k( 186) = ( 0.1666667 0.2937489 0.7292311), wk = 0.0039216 k( 187) = ( 0.1759259 0.2804496 0.7454362), wk = 0.0039216 k( 188) = ( 0.1851852 0.2671502 0.7616414), wk = 0.0039216 k( 189) = ( 0.1944444 0.2538509 0.7778465), wk = 0.0039216 k( 190) = ( 0.2037037 0.2405515 0.7940516), wk = 0.0039216 k( 191) = ( 0.2129630 0.2272522 0.8102567), wk = 0.0039216 k( 192) = ( 0.2222222 0.2139529 0.8264619), wk = 0.0039216 k( 193) = ( 0.2314815 0.2006535 0.8426670), wk = 0.0039216 k( 194) = ( 0.2407407 0.1873542 0.8588722), wk = 0.0039216 k( 195) = ( 0.2500000 0.1740548 0.8750773), wk = 0.0039216 k( 196) = ( 0.2500000 0.1740548 0.8750773), wk = 0.0039216 k( 197) = ( 0.2656250 0.1849333 0.8618220), wk = 0.0039216 k( 198) = ( 0.2812500 0.1958117 0.8485668), wk = 0.0039216 k( 199) = ( 0.2968750 0.2066901 0.8353115), wk = 0.0039216 k( 200) = ( 0.3125000 0.2175685 0.8220562), wk = 0.0039216 k( 201) = ( 0.3281250 0.2284470 0.8088010), wk = 0.0039216 k( 202) = ( 0.3437500 0.2393254 0.7955457), wk = 0.0039216 k( 203) = ( 0.3593750 0.2502038 0.7822904), wk = 0.0039216 k( 204) = ( 0.3750000 0.2610822 0.7690351), wk = 0.0039216 k( 205) = ( 0.3906250 0.2719607 0.7557799), wk = 0.0039216 k( 206) = ( 0.4062500 0.2828391 0.7425246), wk = 0.0039216 k( 207) = ( 0.4218750 0.2937175 0.7292693), wk = 0.0039216 k( 208) = ( 0.4375000 0.3045959 0.7160141), wk = 0.0039216 k( 209) = ( 0.4531250 0.3154744 0.7027588), wk = 0.0039216 k( 210) = ( 0.4687500 0.3263528 0.6895035), wk = 0.0039216 k( 211) = ( 0.4843750 0.3372312 0.6762483), wk = 0.0039216 k( 212) = ( 0.5000000 0.3481097 0.6629930), wk = 0.0039216 k( 213) = ( 0.5000000 0.3481097 0.6629930), wk = 0.0039216 k( 214) = ( 0.5000000 0.3481097 0.6393147), wk = 0.0039216 k( 215) = ( 0.5000000 0.3481097 0.6156363), wk = 0.0039216 k( 216) = ( 0.5000000 0.3481097 0.5919580), wk = 0.0039216 k( 217) = ( 0.5000000 0.3481097 0.5682797), wk = 0.0039216 k( 218) = ( 0.5000000 0.3481097 0.5446014), wk = 0.0039216 k( 219) = ( 0.5000000 0.3481097 0.5209231), wk = 0.0039216 k( 220) = ( 0.5000000 0.3481097 0.4972447), wk = 0.0039216 k( 221) = ( 0.5000000 0.3481097 0.4735664), wk = 0.0039216 k( 222) = ( 0.5000000 0.3481097 0.4498881), wk = 0.0039216 k( 223) = ( 0.5000000 0.3481097 0.4262098), wk = 0.0039216 k( 224) = ( 0.5000000 0.3481097 0.4025315), wk = 0.0039216 k( 225) = ( 0.5000000 0.3481097 0.3788531), wk = 0.0039216 k( 226) = ( 0.5000000 0.3481097 0.3551748), wk = 0.0039216 k( 227) = ( 0.5000000 0.3481097 0.3314965), wk = 0.0039216 k( 228) = ( 0.5000000 0.3481097 0.3078182), wk = 0.0039216 k( 229) = ( 0.5000000 0.3481097 0.2841399), wk = 0.0039216 k( 230) = ( 0.5000000 0.3481097 0.2604615), wk = 0.0039216 k( 231) = ( 0.5000000 0.3481097 0.2367832), wk = 0.0039216 k( 232) = ( 0.5000000 0.3481097 0.2131049), wk = 0.0039216 k( 233) = ( 0.5000000 0.3481097 0.1894266), wk = 0.0039216 k( 234) = ( 0.5000000 0.3481097 0.1657483), wk = 0.0039216 k( 235) = ( 0.5000000 0.3481097 0.1420699), wk = 0.0039216 k( 236) = ( 0.5000000 0.3481097 0.1183916), wk = 0.0039216 k( 237) = ( 0.5000000 0.3481097 0.0947133), wk = 0.0039216 k( 238) = ( 0.5000000 0.3481097 0.0710350), wk = 0.0039216 k( 239) = ( 0.5000000 0.3481097 0.0473566), wk = 0.0039216 k( 240) = ( 0.5000000 0.3481097 0.0236783), wk = 0.0039216 k( 241) = ( 0.5000000 0.3481097 -0.0000000), wk = 0.0039216 k( 242) = ( 0.0000000 0.0000000 0.8750773), wk = 0.0039216 k( 243) = ( 0.0192308 0.0133888 0.8750773), wk = 0.0039216 k( 244) = ( 0.0384615 0.0267777 0.8750773), wk = 0.0039216 k( 245) = ( 0.0576923 0.0401665 0.8750773), wk = 0.0039216 k( 246) = ( 0.0769231 0.0535553 0.8750773), wk = 0.0039216 k( 247) = ( 0.0961538 0.0669442 0.8750773), wk = 0.0039216 k( 248) = ( 0.1153846 0.0803330 0.8750773), wk = 0.0039216 k( 249) = ( 0.1346154 0.0937218 0.8750773), wk = 0.0039216 k( 250) = ( 0.1538461 0.1071107 0.8750773), wk = 0.0039216 k( 251) = ( 0.1730769 0.1204995 0.8750773), wk = 0.0039216 k( 252) = ( 0.1923077 0.1338883 0.8750773), wk = 0.0039216 k( 253) = ( 0.2115385 0.1472772 0.8750773), wk = 0.0039216 k( 254) = ( 0.2307692 0.1606660 0.8750773), wk = 0.0039216 k( 255) = ( 0.2500000 0.1740548 0.8750773), wk = 0.0039216 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 2) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0039216 k( 3) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0039216 k( 4) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0039216 k( 5) = ( 0.0000000 0.0000000 0.0540541), wk = 0.0039216 k( 6) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0039216 k( 7) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0039216 k( 8) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0039216 k( 9) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0039216 k( 10) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0039216 k( 11) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0039216 k( 12) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0039216 k( 13) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0039216 k( 14) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0039216 k( 15) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0039216 k( 16) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0039216 k( 17) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0039216 k( 18) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0039216 k( 19) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0039216 k( 20) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0039216 k( 21) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0039216 k( 22) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0039216 k( 23) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0039216 k( 24) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0039216 k( 25) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0039216 k( 26) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0039216 k( 27) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0039216 k( 28) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0039216 k( 29) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0039216 k( 30) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0039216 k( 31) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0039216 k( 32) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0039216 k( 33) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0039216 k( 34) = ( 0.0000000 0.0000000 0.4459460), wk = 0.0039216 k( 35) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0039216 k( 36) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0039216 k( 37) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0039216 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039216 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039216 k( 40) = ( -0.0134645 0.0134645 0.5000000), wk = 0.0039216 k( 41) = ( -0.0269290 0.0269290 0.5000000), wk = 0.0039216 k( 42) = ( -0.0403934 0.0403934 0.5000000), wk = 0.0039216 k( 43) = ( -0.0538579 0.0538579 0.5000000), wk = 0.0039216 k( 44) = ( -0.0673224 0.0673224 0.5000000), wk = 0.0039216 k( 45) = ( -0.0807869 0.0807869 0.5000000), wk = 0.0039216 k( 46) = ( -0.0942514 0.0942514 0.5000000), wk = 0.0039216 k( 47) = ( -0.1077159 0.1077159 0.5000000), wk = 0.0039216 k( 48) = ( -0.1211803 0.1211803 0.5000000), wk = 0.0039216 k( 49) = ( -0.1211803 0.1211803 0.5000000), wk = 0.0039216 k( 50) = ( -0.1306508 0.1306508 0.4905295), wk = 0.0039216 k( 51) = ( -0.1401213 0.1401213 0.4810590), wk = 0.0039216 k( 52) = ( -0.1495918 0.1495918 0.4715885), wk = 0.0039216 k( 53) = ( -0.1590623 0.1590623 0.4621180), wk = 0.0039216 k( 54) = ( -0.1685328 0.1685328 0.4526475), wk = 0.0039216 k( 55) = ( -0.1780033 0.1780033 0.4431771), wk = 0.0039216 k( 56) = ( -0.1874738 0.1874738 0.4337066), wk = 0.0039216 k( 57) = ( -0.1969443 0.1969443 0.4242361), wk = 0.0039216 k( 58) = ( -0.2064148 0.2064148 0.4147656), wk = 0.0039216 k( 59) = ( -0.2158853 0.2158852 0.4052951), wk = 0.0039216 k( 60) = ( -0.2253557 0.2253557 0.3958246), wk = 0.0039216 k( 61) = ( -0.2348262 0.2348262 0.3863541), wk = 0.0039216 k( 62) = ( -0.2442967 0.2442967 0.3768836), wk = 0.0039216 k( 63) = ( -0.2537672 0.2537672 0.3674131), wk = 0.0039216 k( 64) = ( -0.2632377 0.2632377 0.3579426), wk = 0.0039216 k( 65) = ( -0.2727082 0.2727082 0.3484721), wk = 0.0039216 k( 66) = ( -0.2821787 0.2821787 0.3390016), wk = 0.0039216 k( 67) = ( -0.2916492 0.2916492 0.3295312), wk = 0.0039216 k( 68) = ( -0.3011197 0.3011197 0.3200607), wk = 0.0039216 k( 69) = ( -0.3105902 0.3105902 0.3105902), wk = 0.0039216 k( 70) = ( -0.3105902 0.3105902 0.3105902), wk = 0.0039216 k( 71) = ( -0.3011783 0.3011783 0.3011783), wk = 0.0039216 k( 72) = ( -0.2917665 0.2917665 0.2917665), wk = 0.0039216 k( 73) = ( -0.2823547 0.2823547 0.2823547), wk = 0.0039216 k( 74) = ( -0.2729429 0.2729429 0.2729429), wk = 0.0039216 k( 75) = ( -0.2635310 0.2635310 0.2635311), wk = 0.0039216 k( 76) = ( -0.2541192 0.2541192 0.2541192), wk = 0.0039216 k( 77) = ( -0.2447074 0.2447074 0.2447074), wk = 0.0039216 k( 78) = ( -0.2352956 0.2352956 0.2352956), wk = 0.0039216 k( 79) = ( -0.2258838 0.2258838 0.2258838), wk = 0.0039216 k( 80) = ( -0.2164719 0.2164719 0.2164719), wk = 0.0039216 k( 81) = ( -0.2070601 0.2070601 0.2070601), wk = 0.0039216 k( 82) = ( -0.1976483 0.1976483 0.1976483), wk = 0.0039216 k( 83) = ( -0.1882365 0.1882365 0.1882365), wk = 0.0039216 k( 84) = ( -0.1788246 0.1788246 0.1788246), wk = 0.0039216 k( 85) = ( -0.1694128 0.1694128 0.1694128), wk = 0.0039216 k( 86) = ( -0.1600010 0.1600010 0.1600010), wk = 0.0039216 k( 87) = ( -0.1505892 0.1505892 0.1505892), wk = 0.0039216 k( 88) = ( -0.1411774 0.1411774 0.1411774), wk = 0.0039216 k( 89) = ( -0.1317655 0.1317655 0.1317655), wk = 0.0039216 k( 90) = ( -0.1223537 0.1223537 0.1223537), wk = 0.0039216 k( 91) = ( -0.1129419 0.1129419 0.1129419), wk = 0.0039216 k( 92) = ( -0.1035301 0.1035301 0.1035301), wk = 0.0039216 k( 93) = ( -0.0941182 0.0941182 0.0941182), wk = 0.0039216 k( 94) = ( -0.0847064 0.0847064 0.0847064), wk = 0.0039216 k( 95) = ( -0.0752946 0.0752946 0.0752946), wk = 0.0039216 k( 96) = ( -0.0658828 0.0658828 0.0658828), wk = 0.0039216 k( 97) = ( -0.0564709 0.0564709 0.0564709), wk = 0.0039216 k( 98) = ( -0.0470591 0.0470591 0.0470591), wk = 0.0039216 k( 99) = ( -0.0376473 0.0376473 0.0376473), wk = 0.0039216 k( 100) = ( -0.0282355 0.0282355 0.0282355), wk = 0.0039216 k( 101) = ( -0.0188237 0.0188237 0.0188237), wk = 0.0039216 k( 102) = ( -0.0094118 0.0094118 0.0094118), wk = 0.0039216 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 105) = ( 0.0192308 0.0192308 -0.0192308), wk = 0.0039216 k( 106) = ( 0.0384615 0.0384615 -0.0384615), wk = 0.0039216 k( 107) = ( 0.0576923 0.0576923 -0.0576923), wk = 0.0039216 k( 108) = ( 0.0769231 0.0769231 -0.0769231), wk = 0.0039216 k( 109) = ( 0.0961538 0.0961538 -0.0961538), wk = 0.0039216 k( 110) = ( 0.1153846 0.1153846 -0.1153846), wk = 0.0039216 k( 111) = ( 0.1346154 0.1346154 -0.1346154), wk = 0.0039216 k( 112) = ( 0.1538461 0.1538461 -0.1538461), wk = 0.0039216 k( 113) = ( 0.1730769 0.1730769 -0.1730769), wk = 0.0039216 k( 114) = ( 0.1923077 0.1923077 -0.1923077), wk = 0.0039216 k( 115) = ( 0.2115385 0.2115385 -0.2115385), wk = 0.0039216 k( 116) = ( 0.2307692 0.2307692 -0.2307692), wk = 0.0039216 k( 117) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0039216 k( 118) = ( 0.2692308 0.2692308 -0.2692308), wk = 0.0039216 k( 119) = ( 0.2884615 0.2884615 -0.2884615), wk = 0.0039216 k( 120) = ( 0.3076923 0.3076923 -0.3076923), wk = 0.0039216 k( 121) = ( 0.3269231 0.3269231 -0.3269231), wk = 0.0039216 k( 122) = ( 0.3461538 0.3461538 -0.3461538), wk = 0.0039216 k( 123) = ( 0.3653846 0.3653846 -0.3653846), wk = 0.0039216 k( 124) = ( 0.3846154 0.3846154 -0.3846154), wk = 0.0039216 k( 125) = ( 0.4038462 0.4038461 -0.4038461), wk = 0.0039216 k( 126) = ( 0.4230769 0.4230769 -0.4230769), wk = 0.0039216 k( 127) = ( 0.4423077 0.4423077 -0.4423077), wk = 0.0039216 k( 128) = ( 0.4615385 0.4615385 -0.4615385), wk = 0.0039216 k( 129) = ( 0.4807692 0.4807692 -0.4807692), wk = 0.0039216 k( 130) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039216 k( 131) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039216 k( 132) = ( 0.4905295 0.5094705 -0.4905295), wk = 0.0039216 k( 133) = ( 0.4810590 0.5189410 -0.4810590), wk = 0.0039216 k( 134) = ( 0.4715885 0.5284115 -0.4715885), wk = 0.0039216 k( 135) = ( 0.4621180 0.5378820 -0.4621180), wk = 0.0039216 k( 136) = ( 0.4526475 0.5473525 -0.4526475), wk = 0.0039216 k( 137) = ( 0.4431771 0.5568229 -0.4431771), wk = 0.0039216 k( 138) = ( 0.4337066 0.5662934 -0.4337066), wk = 0.0039216 k( 139) = ( 0.4242361 0.5757639 -0.4242361), wk = 0.0039216 k( 140) = ( 0.4147656 0.5852344 -0.4147656), wk = 0.0039216 k( 141) = ( 0.4052951 0.5947049 -0.4052951), wk = 0.0039216 k( 142) = ( 0.3958246 0.6041754 -0.3958246), wk = 0.0039216 k( 143) = ( 0.3863541 0.6136459 -0.3863541), wk = 0.0039216 k( 144) = ( 0.3768836 0.6231164 -0.3768836), wk = 0.0039216 k( 145) = ( 0.3674131 0.6325869 -0.3674131), wk = 0.0039216 k( 146) = ( 0.3579426 0.6420574 -0.3579426), wk = 0.0039216 k( 147) = ( 0.3484721 0.6515279 -0.3484721), wk = 0.0039216 k( 148) = ( 0.3390016 0.6609984 -0.3390016), wk = 0.0039216 k( 149) = ( 0.3295311 0.6704689 -0.3295312), wk = 0.0039216 k( 150) = ( 0.3200607 0.6799393 -0.3200607), wk = 0.0039216 k( 151) = ( 0.3105902 0.6894098 -0.3105902), wk = 0.0039216 k( 152) = ( 0.3105902 0.6894098 -0.3105902), wk = 0.0039216 k( 153) = ( 0.2898842 0.6767825 -0.2898841), wk = 0.0039216 k( 154) = ( 0.2691781 0.6641552 -0.2691781), wk = 0.0039216 k( 155) = ( 0.2484721 0.6515279 -0.2484721), wk = 0.0039216 k( 156) = ( 0.2277661 0.6389005 -0.2277661), wk = 0.0039216 k( 157) = ( 0.2070601 0.6262732 -0.2070601), wk = 0.0039216 k( 158) = ( 0.1863541 0.6136459 -0.1863541), wk = 0.0039216 k( 159) = ( 0.1656481 0.6010186 -0.1656481), wk = 0.0039216 k( 160) = ( 0.1449421 0.5883913 -0.1449421), wk = 0.0039216 k( 161) = ( 0.1242361 0.5757639 -0.1242361), wk = 0.0039216 k( 162) = ( 0.1035301 0.5631366 -0.1035301), wk = 0.0039216 k( 163) = ( 0.0828240 0.5505093 -0.0828240), wk = 0.0039216 k( 164) = ( 0.0621180 0.5378820 -0.0621180), wk = 0.0039216 k( 165) = ( 0.0414120 0.5252546 -0.0414120), wk = 0.0039216 k( 166) = ( 0.0207060 0.5126273 -0.0207060), wk = 0.0039216 k( 167) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039216 k( 168) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039216 k( 169) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0039216 k( 170) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0039216 k( 171) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0039216 k( 172) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0039216 k( 173) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0039216 k( 174) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0039216 k( 175) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0039216 k( 176) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0039216 k( 177) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0039216 k( 178) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0039216 k( 179) = ( 0.1018518 0.3981481 0.1018519), wk = 0.0039216 k( 180) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0039216 k( 181) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0039216 k( 182) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0039216 k( 183) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0039216 k( 184) = ( 0.1481482 0.3518518 0.1481482), wk = 0.0039216 k( 185) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0039216 k( 186) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0039216 k( 187) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0039216 k( 188) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0039216 k( 189) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0039216 k( 190) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0039216 k( 191) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0039216 k( 192) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0039216 k( 193) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0039216 k( 194) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0039216 k( 195) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039216 k( 196) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039216 k( 197) = ( 0.2656250 0.2656250 0.2268012), wk = 0.0039216 k( 198) = ( 0.2812500 0.2812500 0.2036025), wk = 0.0039216 k( 199) = ( 0.2968750 0.2968750 0.1804037), wk = 0.0039216 k( 200) = ( 0.3125000 0.3125000 0.1572049), wk = 0.0039216 k( 201) = ( 0.3281250 0.3281250 0.1340062), wk = 0.0039216 k( 202) = ( 0.3437500 0.3437500 0.1108074), wk = 0.0039216 k( 203) = ( 0.3593750 0.3593750 0.0876086), wk = 0.0039216 k( 204) = ( 0.3750000 0.3750000 0.0644098), wk = 0.0039216 k( 205) = ( 0.3906250 0.3906250 0.0412111), wk = 0.0039216 k( 206) = ( 0.4062500 0.4062500 0.0180123), wk = 0.0039216 k( 207) = ( 0.4218750 0.4218750 -0.0051865), wk = 0.0039216 k( 208) = ( 0.4375000 0.4375000 -0.0283852), wk = 0.0039216 k( 209) = ( 0.4531250 0.4531250 -0.0515840), wk = 0.0039216 k( 210) = ( 0.4687500 0.4687500 -0.0747828), wk = 0.0039216 k( 211) = ( 0.4843750 0.4843750 -0.0979816), wk = 0.0039216 k( 212) = ( 0.5000000 0.5000000 -0.1211803), wk = 0.0039216 k( 213) = ( 0.5000000 0.5000000 -0.1211803), wk = 0.0039216 k( 214) = ( 0.5000000 0.5000000 -0.1347096), wk = 0.0039216 k( 215) = ( 0.5000000 0.5000000 -0.1482389), wk = 0.0039216 k( 216) = ( 0.5000000 0.5000000 -0.1617681), wk = 0.0039216 k( 217) = ( 0.5000000 0.5000000 -0.1752974), wk = 0.0039216 k( 218) = ( 0.5000000 0.5000000 -0.1888267), wk = 0.0039216 k( 219) = ( 0.5000000 0.5000000 -0.2023560), wk = 0.0039216 k( 220) = ( 0.5000000 0.5000000 -0.2158852), wk = 0.0039216 k( 221) = ( 0.5000000 0.5000000 -0.2294145), wk = 0.0039216 k( 222) = ( 0.5000000 0.5000000 -0.2429438), wk = 0.0039216 k( 223) = ( 0.5000000 0.5000000 -0.2564731), wk = 0.0039216 k( 224) = ( 0.5000000 0.5000000 -0.2700023), wk = 0.0039216 k( 225) = ( 0.5000000 0.5000000 -0.2835316), wk = 0.0039216 k( 226) = ( 0.5000000 0.5000000 -0.2970609), wk = 0.0039216 k( 227) = ( 0.5000000 0.5000000 -0.3105902), wk = 0.0039216 k( 228) = ( 0.5000000 0.5000000 -0.3241194), wk = 0.0039216 k( 229) = ( 0.5000000 0.5000000 -0.3376487), wk = 0.0039216 k( 230) = ( 0.5000000 0.5000000 -0.3511780), wk = 0.0039216 k( 231) = ( 0.5000000 0.5000000 -0.3647073), wk = 0.0039216 k( 232) = ( 0.5000000 0.5000000 -0.3782365), wk = 0.0039216 k( 233) = ( 0.5000000 0.5000000 -0.3917658), wk = 0.0039216 k( 234) = ( 0.5000000 0.5000000 -0.4052951), wk = 0.0039216 k( 235) = ( 0.5000000 0.5000000 -0.4188244), wk = 0.0039216 k( 236) = ( 0.5000000 0.5000000 -0.4323536), wk = 0.0039216 k( 237) = ( 0.5000000 0.5000000 -0.4458829), wk = 0.0039216 k( 238) = ( 0.5000000 0.5000000 -0.4594122), wk = 0.0039216 k( 239) = ( 0.5000000 0.5000000 -0.4729414), wk = 0.0039216 k( 240) = ( 0.5000000 0.5000000 -0.4864707), wk = 0.0039216 k( 241) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039216 k( 242) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039216 k( 243) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0039216 k( 244) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0039216 k( 245) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0039216 k( 246) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0039216 k( 247) = ( 0.0961538 0.0961538 0.4038462), wk = 0.0039216 k( 248) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0039216 k( 249) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0039216 k( 250) = ( 0.1538461 0.1538461 0.3461539), wk = 0.0039216 k( 251) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0039216 k( 252) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0039216 k( 253) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0039216 k( 254) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0039216 k( 255) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039216 Dense grid: 406077 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 47133 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 252, 50) NL pseudopotentials 0.32 Mb ( 126, 166) Each V/rho on FFT grid 0.66 Mb ( 43200) Each G-vector array 0.06 Mb ( 8460) G-vector shells 0.03 Mb ( 3834) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 252, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.25 Mb ( 166, 2, 50) The potential is recalculated from file : ./Al2CdTe4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.0 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 54.9 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.9 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 68.7 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 75.7 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.6 secs Computing kpt #: 7 total cpu time spent up to now is 87.6 secs Computing kpt #: 8 total cpu time spent up to now is 93.2 secs Computing kpt #: 9 total cpu time spent up to now is 98.1 secs Computing kpt #: 10 total cpu time spent up to now is 102.5 secs Computing kpt #: 11 total cpu time spent up to now is 106.7 secs Computing kpt #: 12 total cpu time spent up to now is 111.0 secs Computing kpt #: 13 total cpu time spent up to now is 115.3 secs Computing kpt #: 14 total cpu time spent up to now is 120.5 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 127.2 secs Computing kpt #: 16 total cpu time spent up to now is 132.1 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 138.6 secs Computing kpt #: 18 total cpu time spent up to now is 143.4 secs Computing kpt #: 19 total cpu time spent up to now is 148.1 secs Computing kpt #: 20 total cpu time spent up to now is 152.6 secs Computing kpt #: 21 total cpu time spent up to now is 157.0 secs Computing kpt #: 22 total cpu time spent up to now is 162.8 secs Computing kpt #: 23 total cpu time spent up to now is 167.5 secs Computing kpt #: 24 total cpu time spent up to now is 173.4 secs Computing kpt #: 25 total cpu time spent up to now is 178.2 secs Computing kpt #: 26 total cpu time spent up to now is 182.9 secs Computing kpt #: 27 total cpu time spent up to now is 187.8 secs Computing kpt #: 28 total cpu time spent up to now is 192.5 secs Computing kpt #: 29 total cpu time spent up to now is 197.6 secs Computing kpt #: 30 total cpu time spent up to now is 202.4 secs Computing kpt #: 31 total cpu time spent up to now is 207.5 secs Computing kpt #: 32 total cpu time spent up to now is 213.0 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 219.6 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 226.3 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 233.1 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 240.9 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.0 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 255.6 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 262.3 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.2 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 276.0 secs Computing kpt #: 42 total cpu time spent up to now is 282.4 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.1 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 297.8 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 304.3 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 310.7 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 317.2 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 323.8 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 331.3 secs Computing kpt #: 50 total cpu time spent up to now is 335.5 secs Computing kpt #: 51 total cpu time spent up to now is 339.1 secs Computing kpt #: 52 total cpu time spent up to now is 343.2 secs Computing kpt #: 53 total cpu time spent up to now is 347.4 secs Computing kpt #: 54 total cpu time spent up to now is 351.4 secs Computing kpt #: 55 total cpu time spent up to now is 355.5 secs Computing kpt #: 56 total cpu time spent up to now is 359.7 secs Computing kpt #: 57 total cpu time spent up to now is 364.5 secs Computing kpt #: 58 total cpu time spent up to now is 368.6 secs Computing kpt #: 59 total cpu time spent up to now is 374.1 secs Computing kpt #: 60 total cpu time spent up to now is 378.5 secs Computing kpt #: 61 total cpu time spent up to now is 383.8 secs Computing kpt #: 62 total cpu time spent up to now is 387.5 secs Computing kpt #: 63 total cpu time spent up to now is 391.6 secs Computing kpt #: 64 total cpu time spent up to now is 395.3 secs Computing kpt #: 65 total cpu time spent up to now is 399.1 secs Computing kpt #: 66 total cpu time spent up to now is 402.6 secs Computing kpt #: 67 total cpu time spent up to now is 406.1 secs Computing kpt #: 68 total cpu time spent up to now is 409.6 secs Computing kpt #: 69 total cpu time spent up to now is 413.8 secs Computing kpt #: 70 total cpu time spent up to now is 417.4 secs Computing kpt #: 71 total cpu time spent up to now is 420.8 secs Computing kpt #: 72 total cpu time spent up to now is 424.1 secs Computing kpt #: 73 total cpu time spent up to now is 427.5 secs Computing kpt #: 74 total cpu time spent up to now is 430.7 secs Computing kpt #: 75 total cpu time spent up to now is 434.2 secs Computing kpt #: 76 total cpu time spent up to now is 437.7 secs Computing kpt #: 77 total cpu time spent up to now is 441.1 secs Computing kpt #: 78 total cpu time spent up to now is 444.6 secs Computing kpt #: 79 total cpu time spent up to now is 448.3 secs Computing kpt #: 80 total cpu time spent up to now is 451.9 secs Computing kpt #: 81 total cpu time spent up to now is 455.8 secs Computing kpt #: 82 total cpu time spent up to now is 459.6 secs Computing kpt #: 83 total cpu time spent up to now is 463.8 secs Computing kpt #: 84 total cpu time spent up to now is 468.2 secs Computing kpt #: 85 total cpu time spent up to now is 472.9 secs Computing kpt #: 86 total cpu time spent up to now is 477.5 secs Computing kpt #: 87 total cpu time spent up to now is 482.0 secs Computing kpt #: 88 total cpu time spent up to now is 487.2 secs Computing kpt #: 89 total cpu time spent up to now is 491.7 secs Computing kpt #: 90 total cpu time spent up to now is 496.1 secs Computing kpt #: 91 total cpu time spent up to now is 500.4 secs Computing kpt #: 92 total cpu time spent up to now is 504.8 secs Computing kpt #: 93 total cpu time spent up to now is 509.8 secs Computing kpt #: 94 total cpu time spent up to now is 515.3 secs Computing kpt #: 95 total cpu time spent up to now is 520.4 secs Computing kpt #: 96 total cpu time spent up to now is 525.3 secs Computing kpt #: 97 total cpu time spent up to now is 531.1 secs Computing kpt #: 98 total cpu time spent up to now is 536.9 secs Computing kpt #: 99 total cpu time spent up to now is 543.4 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 550.6 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 557.4 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 564.3 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 570.8 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 578.4 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 585.4 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 593.0 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 600.1 secs Computing kpt #: 108 total cpu time spent up to now is 607.3 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 614.3 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 621.1 secs Computing kpt #: 111 total cpu time spent up to now is 627.1 secs Computing kpt #: 112 total cpu time spent up to now is 633.0 secs Computing kpt #: 113 total cpu time spent up to now is 637.9 secs Computing kpt #: 114 total cpu time spent up to now is 642.2 secs Computing kpt #: 115 total cpu time spent up to now is 646.5 secs Computing kpt #: 116 total cpu time spent up to now is 650.5 secs Computing kpt #: 117 total cpu time spent up to now is 654.5 secs Computing kpt #: 118 total cpu time spent up to now is 658.5 secs Computing kpt #: 119 total cpu time spent up to now is 662.4 secs Computing kpt #: 120 total cpu time spent up to now is 667.3 secs Computing kpt #: 121 total cpu time spent up to now is 671.3 secs Computing kpt #: 122 total cpu time spent up to now is 675.1 secs Computing kpt #: 123 total cpu time spent up to now is 678.9 secs Computing kpt #: 124 total cpu time spent up to now is 682.4 secs Computing kpt #: 125 total cpu time spent up to now is 685.8 secs Computing kpt #: 126 total cpu time spent up to now is 689.2 secs Computing kpt #: 127 total cpu time spent up to now is 692.6 secs Computing kpt #: 128 total cpu time spent up to now is 695.8 secs Computing kpt #: 129 total cpu time spent up to now is 699.0 secs Computing kpt #: 130 total cpu time spent up to now is 702.2 secs Computing kpt #: 131 total cpu time spent up to now is 705.3 secs Computing kpt #: 132 total cpu time spent up to now is 708.5 secs Computing kpt #: 133 total cpu time spent up to now is 712.5 secs Computing kpt #: 134 total cpu time spent up to now is 715.7 secs Computing kpt #: 135 total cpu time spent up to now is 719.2 secs Computing kpt #: 136 total cpu time spent up to now is 722.5 secs Computing kpt #: 137 total cpu time spent up to now is 725.8 secs Computing kpt #: 138 total cpu time spent up to now is 729.2 secs Computing kpt #: 139 total cpu time spent up to now is 732.6 secs Computing kpt #: 140 total cpu time spent up to now is 735.9 secs Computing kpt #: 141 total cpu time spent up to now is 739.5 secs Computing kpt #: 142 total cpu time spent up to now is 743.0 secs Computing kpt #: 143 total cpu time spent up to now is 746.5 secs Computing kpt #: 144 total cpu time spent up to now is 750.1 secs Computing kpt #: 145 total cpu time spent up to now is 753.5 secs Computing kpt #: 146 total cpu time spent up to now is 758.0 secs Computing kpt #: 147 total cpu time spent up to now is 761.5 secs Computing kpt #: 148 total cpu time spent up to now is 765.0 secs Computing kpt #: 149 total cpu time spent up to now is 768.5 secs Computing kpt #: 150 total cpu time spent up to now is 772.0 secs Computing kpt #: 151 total cpu time spent up to now is 775.3 secs Computing kpt #: 152 total cpu time spent up to now is 778.7 secs Computing kpt #: 153 total cpu time spent up to now is 782.0 secs Computing kpt #: 154 total cpu time spent up to now is 785.7 secs Computing kpt #: 155 total cpu time spent up to now is 789.1 secs Computing kpt #: 156 total cpu time spent up to now is 792.5 secs Computing kpt #: 157 total cpu time spent up to now is 796.0 secs Computing kpt #: 158 total cpu time spent up to now is 799.5 secs Computing kpt #: 159 total cpu time spent up to now is 803.0 secs Computing kpt #: 160 total cpu time spent up to now is 806.7 secs Computing kpt #: 161 total cpu time spent up to now is 810.7 secs Computing kpt #: 162 total cpu time spent up to now is 814.7 secs Computing kpt #: 163 total cpu time spent up to now is 818.8 secs Computing kpt #: 164 total cpu time spent up to now is 823.4 secs Computing kpt #: 165 total cpu time spent up to now is 827.8 secs Computing kpt #: 166 total cpu time spent up to now is 832.6 secs Computing kpt #: 167 total cpu time spent up to now is 837.6 secs Computing kpt #: 168 total cpu time spent up to now is 843.6 secs Computing kpt #: 169 total cpu time spent up to now is 849.6 secs Computing kpt #: 170 total cpu time spent up to now is 854.5 secs Computing kpt #: 171 total cpu time spent up to now is 859.4 secs Computing kpt #: 172 total cpu time spent up to now is 864.3 secs Computing kpt #: 173 total cpu time spent up to now is 869.9 secs Computing kpt #: 174 total cpu time spent up to now is 875.3 secs Computing kpt #: 175 total cpu time spent up to now is 880.2 secs Computing kpt #: 176 total cpu time spent up to now is 885.0 secs Computing kpt #: 177 total cpu time spent up to now is 889.3 secs Computing kpt #: 178 total cpu time spent up to now is 895.9 secs Computing kpt #: 179 total cpu time spent up to now is 900.2 secs Computing kpt #: 180 total cpu time spent up to now is 904.7 secs Computing kpt #: 181 total cpu time spent up to now is 908.6 secs Computing kpt #: 182 total cpu time spent up to now is 912.2 secs Computing kpt #: 183 total cpu time spent up to now is 915.9 secs Computing kpt #: 184 total cpu time spent up to now is 919.5 secs Computing kpt #: 185 total cpu time spent up to now is 923.2 secs Computing kpt #: 186 total cpu time spent up to now is 926.8 secs Computing kpt #: 187 total cpu time spent up to now is 930.3 secs Computing kpt #: 188 total cpu time spent up to now is 934.3 secs Computing kpt #: 189 total cpu time spent up to now is 938.3 secs Computing kpt #: 190 total cpu time spent up to now is 941.9 secs Computing kpt #: 191 total cpu time spent up to now is 945.9 secs Computing kpt #: 192 total cpu time spent up to now is 949.5 secs Computing kpt #: 193 total cpu time spent up to now is 954.2 secs Computing kpt #: 194 total cpu time spent up to now is 959.7 secs Computing kpt #: 195 total cpu time spent up to now is 964.4 secs Computing kpt #: 196 total cpu time spent up to now is 968.4 secs Computing kpt #: 197 total cpu time spent up to now is 974.9 secs Computing kpt #: 198 total cpu time spent up to now is 979.9 secs Computing kpt #: 199 total cpu time spent up to now is 983.9 secs Computing kpt #: 200 total cpu time spent up to now is 988.7 secs Computing kpt #: 201 total cpu time spent up to now is 993.4 secs Computing kpt #: 202 total cpu time spent up to now is 998.1 secs Computing kpt #: 203 total cpu time spent up to now is 1002.2 secs Computing kpt #: 204 total cpu time spent up to now is 1007.0 secs Computing kpt #: 205 total cpu time spent up to now is 1011.1 secs Computing kpt #: 206 total cpu time spent up to now is 1015.1 secs Computing kpt #: 207 total cpu time spent up to now is 1019.2 secs Computing kpt #: 208 total cpu time spent up to now is 1024.2 secs Computing kpt #: 209 total cpu time spent up to now is 1029.4 secs Computing kpt #: 210 total cpu time spent up to now is 1034.8 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1042.1 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1048.9 secs Computing kpt #: 213 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1055.4 secs Computing kpt #: 214 total cpu time spent up to now is 1059.6 secs Computing kpt #: 215 total cpu time spent up to now is 1063.9 secs Computing kpt #: 216 total cpu time spent up to now is 1068.1 secs Computing kpt #: 217 total cpu time spent up to now is 1072.0 secs Computing kpt #: 218 total cpu time spent up to now is 1075.8 secs Computing kpt #: 219 total cpu time spent up to now is 1079.5 secs Computing kpt #: 220 total cpu time spent up to now is 1083.2 secs Computing kpt #: 221 total cpu time spent up to now is 1086.8 secs Computing kpt #: 222 total cpu time spent up to now is 1090.6 secs Computing kpt #: 223 total cpu time spent up to now is 1094.3 secs Computing kpt #: 224 total cpu time spent up to now is 1098.1 secs Computing kpt #: 225 total cpu time spent up to now is 1102.1 secs Computing kpt #: 226 total cpu time spent up to now is 1107.0 secs Computing kpt #: 227 total cpu time spent up to now is 1111.1 secs Computing kpt #: 228 total cpu time spent up to now is 1115.1 secs Computing kpt #: 229 total cpu time spent up to now is 1118.9 secs Computing kpt #: 230 total cpu time spent up to now is 1122.7 secs Computing kpt #: 231 total cpu time spent up to now is 1126.5 secs Computing kpt #: 232 total cpu time spent up to now is 1130.2 secs Computing kpt #: 233 total cpu time spent up to now is 1133.8 secs Computing kpt #: 234 total cpu time spent up to now is 1137.3 secs Computing kpt #: 235 total cpu time spent up to now is 1140.7 secs Computing kpt #: 236 total cpu time spent up to now is 1144.0 secs Computing kpt #: 237 total cpu time spent up to now is 1147.3 secs Computing kpt #: 238 total cpu time spent up to now is 1150.5 secs Computing kpt #: 239 total cpu time spent up to now is 1153.7 secs Computing kpt #: 240 total cpu time spent up to now is 1156.9 secs Computing kpt #: 241 total cpu time spent up to now is 1160.2 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1166.8 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1173.9 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1180.8 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1187.8 secs Computing kpt #: 246 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1197.0 secs Computing kpt #: 247 total cpu time spent up to now is 1203.5 secs Computing kpt #: 248 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1210.4 secs Computing kpt #: 249 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1217.0 secs Computing kpt #: 250 total cpu time spent up to now is 1221.7 secs Computing kpt #: 251 total cpu time spent up to now is 1227.8 secs Computing kpt #: 252 total cpu time spent up to now is 1231.9 secs Computing kpt #: 253 total cpu time spent up to now is 1236.2 secs Computing kpt #: 254 total cpu time spent up to now is 1240.9 secs Computing kpt #: 255 total cpu time spent up to now is 1245.6 secs ethr = 2.38E-11, avg # of iterations = 59.1 total cpu time spent up to now is 1245.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5839 PWs) bands (ev): -7.0965 -7.0965 -5.9551 -5.9551 -5.9352 -5.9352 -5.9002 -5.9002 -4.0567 -4.0567 -4.0445 -4.0445 -3.4544 -3.4544 -3.4417 -3.4417 -3.3702 -3.3702 -1.0966 -1.0966 -0.5122 -0.5122 1.2564 1.2564 1.5179 1.5179 1.7288 1.7288 1.9829 1.9829 2.0553 2.0553 2.8442 2.8442 3.0767 3.0767 4.0655 4.0655 4.8699 4.8699 4.9187 4.9187 6.3759 6.3759 6.8236 6.8236 7.5535 7.5535 8.5620 8.5620 k = 0.0000 0.0000 0.0237 ( 5851 PWs) bands (ev): -7.0957 -7.0956 -5.9557 -5.9546 -5.9357 -5.9357 -5.9013 -5.9001 -4.0581 -4.0559 -4.0449 -4.0442 -3.4561 -3.4532 -3.4429 -3.4405 -3.3715 -3.3696 -1.0968 -1.0951 -0.5159 -0.5062 1.2412 1.2674 1.4905 1.5463 1.6978 1.7594 1.9611 2.0102 2.0423 2.0720 2.8351 2.8523 3.0741 3.0756 4.0606 4.0647 4.8643 4.8661 4.9114 4.9127 6.3855 6.3877 6.8284 6.8300 7.5507 7.5642 8.5583 8.5610 k = 0.0000 0.0000 0.0473 ( 5863 PWs) bands (ev): -7.0932 -7.0931 -5.9564 -5.9542 -5.9372 -5.9371 -5.9033 -5.9010 -4.0598 -4.0558 -4.0452 -4.0436 -3.4583 -3.4526 -3.4440 -3.4392 -3.3733 -3.3695 -1.0955 -1.0922 -0.5172 -0.4979 1.2231 1.2736 1.4634 1.5755 1.6670 1.7900 1.9470 2.0339 2.0407 2.0915 2.8247 2.8598 3.0686 3.0714 4.0495 4.0582 4.8457 4.8483 4.8957 4.8989 6.4154 6.4187 6.8446 6.8475 7.5560 7.5829 8.5476 8.5560 k = 0.0000 0.0000 0.0710 ( 5871 PWs) bands (ev): -7.0890 -7.0889 -5.9573 -5.9541 -5.9397 -5.9396 -5.9060 -5.9028 -4.0619 -4.0562 -4.0456 -4.0429 -3.4609 -3.4526 -3.4451 -3.4380 -3.3756 -3.3701 -1.0928 -1.0878 -0.5163 -0.4877 1.2040 1.2754 1.4357 1.5976 1.6444 1.8202 1.9417 2.0308 2.0708 2.1125 2.8128 2.8664 3.0611 3.0660 4.0319 4.0463 4.8086 4.8102 4.8811 4.8861 6.4621 6.4645 6.8726 6.8763 7.5692 7.6096 8.5290 8.5473 k = 0.0000 0.0000 0.0946 ( 5863 PWs) bands (ev): -7.0832 -7.0831 -5.9582 -5.9543 -5.9432 -5.9429 -5.9094 -5.9056 -4.0643 -4.0573 -4.0461 -4.0420 -3.4640 -3.4532 -3.4461 -3.4368 -3.3782 -3.3711 -1.0890 -1.0821 -0.5135 -0.4758 1.1855 1.2738 1.4070 1.5828 1.6596 1.8491 1.9458 2.0327 2.0976 2.1339 2.7999 2.8717 3.0533 3.0621 4.0071 4.0291 4.7527 4.7590 4.8684 4.8749 6.5193 6.5203 6.9127 6.9165 7.5904 7.6441 8.5044 8.5348 k = 0.0000 0.0000 0.1183 ( 5863 PWs) bands (ev): -7.0758 -7.0757 -5.9595 -5.9549 -5.9477 -5.9470 -5.9133 -5.9093 -4.0670 -4.0588 -4.0468 -4.0410 -3.4674 -3.4544 -3.4470 -3.4356 -3.3809 -3.3727 -1.0840 -1.0751 -0.5092 -0.4629 1.1694 1.2698 1.3775 1.5511 1.6927 1.8750 1.9591 2.0390 2.1184 2.1548 2.7878 2.8751 3.0479 3.0615 3.9746 4.0068 4.6851 4.7003 4.8553 4.8633 6.5774 6.5838 6.9647 6.9683 7.6196 7.6867 8.4753 8.5178 k = 0.0000 0.0000 0.1419 ( 5873 PWs) bands (ev): -7.0668 -7.0666 -5.9612 -5.9563 -5.9532 -5.9515 -5.9176 -5.9137 -4.0699 -4.0607 -4.0477 -4.0400 -3.4712 -3.4563 -3.4479 -3.4345 -3.3836 -3.3747 -1.0779 -1.0669 -0.5037 -0.4495 1.1566 1.2643 1.3478 1.5188 1.7272 1.8968 1.9796 2.0479 2.1327 2.1738 2.7795 2.8764 3.0474 3.0652 3.9341 3.9798 4.6108 4.6382 4.8412 4.8508 6.6340 6.6475 7.0272 7.0313 7.6572 7.7380 8.4428 8.4955 k = 0.0000 0.0000 0.1656 ( 5879 PWs) bands (ev): -7.0562 -7.0559 -5.9638 -5.9601 -5.9592 -5.9551 -5.9225 -5.9183 -4.0731 -4.0630 -4.0488 -4.0390 -3.4752 -3.4590 -3.4488 -3.4336 -3.3861 -3.3770 -1.0711 -1.0577 -0.4977 -0.4363 1.1481 1.2573 1.3189 1.4901 1.7590 1.9140 2.0026 2.0566 2.1439 2.1904 2.7784 2.8770 3.0526 3.0734 3.8855 3.9486 4.5328 4.5756 4.8258 4.8372 6.6867 6.7075 7.0968 7.1030 7.7042 7.7990 8.4076 8.4679 k = 0.0000 0.0000 0.1892 ( 5879 PWs) bands (ev): -7.0440 -7.0437 -5.9687 -5.9669 -5.9645 -5.9572 -5.9283 -5.9224 -4.0765 -4.0654 -4.0500 -4.0380 -3.4795 -3.4622 -3.4496 -3.4328 -3.3883 -3.3795 -1.0634 -1.0475 -0.4916 -0.4242 1.1435 1.2478 1.2928 1.4681 1.7846 1.9236 2.0208 2.0649 2.1581 2.2067 2.7867 2.8786 3.0628 3.0861 3.8297 3.9141 4.4533 4.5143 4.8094 4.8227 6.7349 6.7623 7.1681 7.1788 7.7621 7.8714 8.3706 8.4359 k = 0.0000 0.0000 0.2129 ( 5878 PWs) bands (ev): -7.0304 -7.0300 -5.9766 -5.9742 -5.9698 -5.9591 -5.9351 -5.9256 -4.0801 -4.0681 -4.0514 -4.0370 -3.4839 -3.4661 -3.4504 -3.4322 -3.3900 -3.3821 -1.0552 -1.0366 -0.4860 -0.4137 1.1412 1.2348 1.2721 1.4559 1.8000 1.9162 2.0314 2.0782 2.1793 2.2273 2.8049 2.8832 3.0761 3.1031 3.7682 3.8776 4.3739 4.4550 4.7923 4.8077 6.7792 6.8121 7.2354 7.2528 7.8327 7.9564 8.3329 8.4004 k = 0.0000 0.0000 0.2365 ( 5874 PWs) bands (ev): -7.0153 -7.0148 -5.9860 -5.9824 -5.9758 -5.9613 -5.9424 -5.9280 -4.0839 -4.0710 -4.0528 -4.0362 -3.4884 -3.4705 -3.4512 -3.4318 -3.3913 -3.3848 -1.0465 -1.0251 -0.4814 -0.4055 1.1370 1.2179 1.2612 1.4557 1.8013 1.8838 2.0454 2.0953 2.2076 2.2548 2.8317 2.8912 3.0905 3.1240 3.7034 3.8411 4.2954 4.3978 4.7749 4.7923 6.8205 6.8577 7.2941 7.3190 7.9164 8.0540 8.2963 8.3627 k = 0.0000 0.0000 0.2602 ( 5880 PWs) bands (ev): -6.9987 -6.9982 -5.9964 -5.9914 -5.9828 -5.9646 -5.9494 -5.9300 -4.0880 -4.0740 -4.0542 -4.0354 -3.4930 -3.4752 -3.4520 -3.4317 -3.3921 -3.3875 -1.0375 -1.0131 -0.4781 -0.4001 1.1262 1.1966 1.2663 1.4679 1.7868 1.8308 2.0664 2.1138 2.2423 2.2887 2.8648 2.9022 3.1046 3.1478 3.6385 3.8066 4.2182 4.3419 4.7575 4.7769 6.8596 6.9002 7.3420 7.3738 8.0096 8.1596 8.2657 8.3259 k = 0.0000 0.0000 0.2838 ( 5878 PWs) bands (ev): -6.9809 -6.9802 -6.0076 -6.0011 -5.9906 -5.9701 -5.9549 -5.9317 -4.0921 -4.0771 -4.0557 -4.0347 -3.4975 -3.4800 -3.4529 -3.4318 -3.3925 -3.3902 -1.0282 -1.0009 -0.4765 -0.3977 1.1089 1.1711 1.2882 1.4910 1.7582 1.7657 2.0905 2.1341 2.2818 2.3265 2.9009 2.9160 3.1176 3.1729 3.5777 3.7767 4.1423 4.2870 4.7403 4.7615 6.8972 6.9404 7.3787 7.4161 8.0933 8.2279 8.2661 8.3241 k = 0.0000 0.0000 0.3075 ( 5882 PWs) bands (ev): -6.9617 -6.9608 -6.0194 -6.0115 -5.9991 -5.9780 -5.9586 -5.9333 -4.0964 -4.0802 -4.0571 -4.0341 -3.5018 -3.4850 -3.4537 -3.4322 -3.3930 -3.3925 -1.0188 -0.9885 -0.4767 -0.3985 1.0882 1.1429 1.3230 1.5211 1.6966 1.7197 2.1140 2.1565 2.3247 2.3661 2.9231 2.9454 3.1284 3.1979 3.5262 3.7534 4.0679 4.2326 4.7237 4.7464 6.9336 6.9789 7.4055 7.4470 8.1161 8.2165 8.3100 8.4297 k = 0.0000 0.0000 0.3311 ( 5880 PWs) bands (ev): -6.9413 -6.9402 -6.0319 -6.0225 -6.0080 -5.9874 -5.9613 -5.9350 -4.1007 -4.0834 -4.0586 -4.0337 -3.5060 -3.4898 -3.4546 -3.4327 -3.3956 -3.3922 -1.0094 -0.9761 -0.4789 -0.4024 1.0659 1.1132 1.3654 1.5423 1.6427 1.6776 2.1336 2.1797 2.3693 2.4060 2.9343 2.9846 3.1356 3.2217 3.4900 3.7377 3.9951 4.1784 4.7077 4.7317 6.9692 7.0161 7.4240 7.4681 8.0912 8.1750 8.4142 8.5356 k = 0.0000 0.0000 0.3548 ( 5870 PWs) bands (ev): -6.9197 -6.9185 -6.0449 -6.0341 -6.0173 -5.9976 -5.9637 -5.9370 -4.1051 -4.0865 -4.0601 -4.0333 -3.5100 -3.4945 -3.4554 -3.4335 -3.3982 -3.3918 -1.0000 -0.9638 -0.4830 -0.4092 1.0424 1.0829 1.4038 1.5118 1.6344 1.6593 2.1470 2.2020 2.4140 2.4452 2.9434 3.0220 3.1388 3.2451 3.4739 3.7285 3.9255 4.1248 4.6924 4.7173 7.0041 7.0524 7.4361 7.4814 8.0544 8.1283 8.5239 8.5567 k = 0.0000 0.0000 0.3784 ( 5868 PWs) bands (ev): -6.8970 -6.8956 -6.0583 -6.0462 -6.0268 -6.0081 -5.9662 -5.9392 -4.1093 -4.0895 -4.0617 -4.0331 -3.5137 -3.4990 -3.4562 -3.4343 -3.4009 -3.3913 -0.9906 -0.9517 -0.4890 -0.4186 1.0157 1.0536 1.3934 1.4860 1.6186 1.7098 2.1524 2.2207 2.4566 2.4842 2.9527 3.0523 3.1422 3.2704 3.4774 3.7207 3.8637 4.0722 4.6778 4.7034 7.0381 7.0877 7.4432 7.4882 8.0139 8.0790 8.5585 8.6354 k = 0.0000 0.0000 0.4021 ( 5874 PWs) bands (ev): -6.8734 -6.8717 -6.0721 -6.0589 -6.0363 -6.0188 -5.9689 -5.9418 -4.1134 -4.0923 -4.0632 -4.0330 -3.5170 -3.5031 -3.4570 -3.4353 -3.4035 -3.3909 -0.9812 -0.9400 -0.4965 -0.4300 0.9826 1.0265 1.3301 1.4749 1.6472 1.7744 2.1490 2.2327 2.4949 2.5245 2.9643 3.0700 3.1552 3.2997 3.4957 3.6997 3.8230 4.0222 4.6640 4.6899 7.0712 7.1220 7.4464 7.4898 7.9714 8.0277 8.5698 8.6476 k = 0.0000 0.0000 0.4257 ( 5874 PWs) bands (ev): -6.8489 -6.8468 -6.0861 -6.0720 -6.0458 -6.0293 -5.9718 -5.9449 -4.1173 -4.0951 -4.0648 -4.0332 -3.5200 -3.5068 -3.4578 -3.4364 -3.4062 -3.3905 -0.9718 -0.9286 -0.5054 -0.4431 0.9421 0.9993 1.2617 1.4507 1.7113 1.8448 2.1372 2.2357 2.5288 2.5665 2.9797 3.0795 3.1785 3.3330 3.5233 3.6530 3.8143 3.9767 4.6508 4.6770 7.1028 7.1550 7.4467 7.4869 7.9277 7.9744 8.5815 8.6600 k = 0.0000 0.0000 0.4494 ( 5876 PWs) bands (ev): -6.8235 -6.8211 -6.1003 -6.0855 -6.0552 -6.0397 -5.9752 -5.9485 -4.1210 -4.0976 -4.0664 -4.0335 -3.5226 -3.5101 -3.4585 -3.4375 -3.4090 -3.3904 -0.9623 -0.9175 -0.5155 -0.4574 0.8950 0.9661 1.2027 1.4263 1.7899 1.9152 2.1210 2.2292 2.5607 2.6094 2.9978 3.0918 3.2040 3.3693 3.5562 3.5934 3.8228 3.9402 4.6381 4.6645 7.1322 7.1860 7.4450 7.4802 7.8830 7.9194 8.5945 8.6734 k = 0.0000 0.0000 0.4730 ( 5888 PWs) bands (ev): -6.7975 -6.7947 -6.1146 -6.0993 -6.0644 -6.0498 -5.9789 -5.9528 -4.1243 -4.0999 -4.0681 -4.0340 -3.5248 -3.5129 -3.4591 -3.4388 -3.4118 -3.3906 -0.9527 -0.9068 -0.5263 -0.4724 0.8422 0.9206 1.1607 1.4077 1.8725 1.9700 2.1160 2.2159 2.5928 2.6523 3.0152 3.1133 3.2248 3.4067 3.5332 3.5934 3.8308 3.9212 4.6260 4.6525 7.1584 7.2140 7.4418 7.4700 7.8379 7.8633 8.6092 8.6882 k = 0.0000 0.0000 0.4967 ( 5896 PWs) bands (ev): -6.7708 -6.7676 -6.1290 -6.1133 -6.0733 -6.0595 -5.9832 -5.9576 -4.1273 -4.1020 -4.0698 -4.0347 -3.5267 -3.5153 -3.4597 -3.4401 -3.4147 -3.3911 -0.9428 -0.8965 -0.5377 -0.4876 0.7848 0.8617 1.1374 1.3968 1.9465 1.9805 2.1526 2.2056 2.6264 2.6951 3.0280 3.1446 3.2345 3.4420 3.4845 3.6327 3.8284 3.9279 4.6143 4.6412 7.1796 7.2376 7.4375 7.4565 7.7931 7.8075 8.6259 8.7049 k = 0.0000 0.0000 0.5203 ( 5894 PWs) bands (ev): -6.7437 -6.7400 -6.1433 -6.1275 -6.0817 -6.0687 -5.9879 -5.9631 -4.1299 -4.1039 -4.0716 -4.0357 -3.5281 -3.5172 -3.4601 -3.4415 -3.4177 -3.3920 -0.9327 -0.8866 -0.5494 -0.5025 0.7238 0.7935 1.1290 1.3937 1.9434 2.0038 2.2102 2.2312 2.6617 2.7379 3.0339 3.1813 3.2266 3.4454 3.4840 3.6757 3.8236 3.9523 4.6030 4.6304 7.1935 7.2542 7.4313 7.4405 7.7480 7.7566 8.6450 8.7239 k = 0.0000 0.0000 0.5440 ( 5900 PWs) bands (ev): -6.7162 -6.7119 -6.1576 -6.1418 -6.0897 -6.0774 -5.9931 -5.9694 -4.1320 -4.1055 -4.0735 -4.0370 -3.5291 -3.5186 -3.4605 -3.4430 -3.4208 -3.3934 -0.9221 -0.8769 -0.5612 -0.5167 0.6606 0.7208 1.1309 1.3978 1.9009 2.0081 2.2709 2.3049 2.6987 2.7808 3.0315 3.1895 3.2296 3.4367 3.5155 3.7231 3.8259 3.9847 4.5922 4.6204 7.1974 7.2602 7.4157 7.4282 7.7016 7.7185 8.6667 8.7455 k = 0.0000 0.0000 0.5676 ( 5902 PWs) bands (ev): -6.6885 -6.6836 -6.1719 -6.1562 -6.0971 -6.0854 -5.9989 -5.9763 -4.1336 -4.1068 -4.0754 -4.0386 -3.5298 -3.5195 -3.4607 -3.4446 -3.4239 -3.3952 -0.9111 -0.8676 -0.5727 -0.5297 0.5960 0.6468 1.1399 1.4086 1.8530 1.9845 2.3558 2.3783 2.7367 2.8244 3.0200 3.1532 3.2666 3.4410 3.5484 3.7756 3.8371 4.0208 4.5818 4.6113 7.1881 7.2510 7.3912 7.4165 7.6646 7.6922 8.6909 8.7698 k = 0.0000 0.0000 0.5913 ( 5910 PWs) bands (ev): -6.6607 -6.6552 -6.1861 -6.1705 -6.1037 -6.0926 -6.0052 -5.9839 -4.1348 -4.1078 -4.0773 -4.0405 -3.5301 -3.5200 -3.4609 -3.4463 -3.4270 -3.3974 -0.8997 -0.8585 -0.5837 -0.5412 0.5310 0.5734 1.1539 1.4251 1.8038 1.9516 2.4378 2.4506 2.7731 2.8701 3.0019 3.1197 3.3016 3.4509 3.5843 3.8310 3.8568 4.0593 4.5719 4.6030 7.1633 7.2232 7.3623 7.3987 7.6439 7.6788 8.7177 8.7965 k = 0.0000 0.0000 0.6149 ( 5898 PWs) bands (ev): -6.6330 -6.6268 -6.2001 -6.1849 -6.1096 -6.0991 -6.0120 -5.9921 -4.1354 -4.1086 -4.0792 -4.0427 -3.5301 -3.5200 -3.4609 -3.4481 -3.4301 -3.4001 -0.8879 -0.8499 -0.5939 -0.5508 0.4662 0.5018 1.1716 1.4463 1.7557 1.9176 2.4816 2.5376 2.8008 2.9202 2.9885 3.0998 3.3312 3.4622 3.6244 3.8706 3.9000 4.0993 4.5626 4.5959 7.1214 7.1766 7.3309 7.3743 7.6403 7.6784 8.7467 8.8254 k = 0.0000 0.0000 0.6386 ( 5902 PWs) bands (ev): -6.6054 -6.5984 -6.2142 -6.1992 -6.1147 -6.1046 -6.0193 -6.0011 -4.1356 -4.1092 -4.0812 -4.0452 -3.5297 -3.5195 -3.4609 -3.4500 -3.4331 -3.4033 -0.8759 -0.8416 -0.6029 -0.5582 0.4025 0.4329 1.1918 1.4707 1.7107 1.8864 2.5012 2.6037 2.8177 2.9687 3.0042 3.0973 3.3547 3.4734 3.6679 3.8954 3.9618 4.1404 4.5542 4.5901 7.0634 7.1142 7.2989 7.3454 7.6499 7.6880 8.7776 8.8560 k = 0.0000 0.0000 0.6622 ( 5894 PWs) bands (ev): -6.5781 -6.5704 -6.2281 -6.2134 -6.1187 -6.1092 -6.0270 -6.0106 -4.1353 -4.1095 -4.0830 -4.0480 -3.5291 -3.5188 -3.4608 -3.4519 -3.4360 -3.4069 -0.8639 -0.8338 -0.6101 -0.5632 0.3403 0.3675 1.2135 1.4957 1.6720 1.8602 2.4978 2.6212 2.8497 2.9996 3.0595 3.1169 3.3724 3.4846 3.7129 3.9188 4.0254 4.1820 4.5468 4.5857 6.9925 7.0408 7.2672 7.3138 7.6676 7.7043 8.8097 8.8877 k = 0.0000 0.0000 0.6859 ( 5896 PWs) bands (ev): -6.5514 -6.5429 -6.2421 -6.2277 -6.1218 -6.1128 -6.0352 -6.0207 -4.1345 -4.1097 -4.0848 -4.0511 -3.5282 -3.5177 -3.4608 -3.4538 -3.4386 -3.4108 -0.8524 -0.8267 -0.6151 -0.5660 0.2804 0.3059 1.2354 1.5144 1.6463 1.8409 2.4752 2.5906 2.9060 3.0283 3.1119 3.1696 3.3850 3.4967 3.7575 3.9411 4.0879 4.2234 4.5410 4.5828 6.9136 6.9607 7.2361 7.2806 7.6897 7.7241 8.8423 8.9198 k = 0.0000 0.0000 0.7095 ( 5898 PWs) bands (ev): -6.5252 -6.5159 -6.2563 -6.2420 -6.1237 -6.1153 -6.0437 -6.0311 -4.1334 -4.1098 -4.0862 -4.0544 -3.5271 -3.5165 -3.4610 -3.4553 -3.4409 -3.4150 -0.8418 -0.8203 -0.6173 -0.5665 0.2237 0.2485 1.2567 1.5148 1.6456 1.8296 2.4385 2.5377 2.9663 3.0566 3.1574 3.2426 3.3939 3.5107 3.8000 3.9617 4.1475 4.2633 4.5372 4.5815 6.8314 6.8774 7.2058 7.2468 7.7136 7.7452 8.8744 8.9515 k = 0.0000 0.0000 0.7332 ( 5898 PWs) bands (ev): -6.4998 -6.4897 -6.2706 -6.2565 -6.1244 -6.1167 -6.0524 -6.0418 -4.1319 -4.1101 -4.0873 -4.0579 -3.5257 -3.5152 -3.4615 -3.4563 -3.4430 -3.4194 -0.8326 -0.8148 -0.6164 -0.5653 0.1715 0.1957 1.2764 1.4964 1.6700 1.8273 2.3924 2.4769 3.0198 3.0842 3.2034 3.3130 3.4032 3.5283 3.8396 3.9800 4.2024 4.3003 4.5362 4.5818 6.7501 6.7944 7.1766 7.2132 7.7375 7.7658 8.9045 8.9818 k = 0.0000 0.0000 0.7568 ( 5900 PWs) bands (ev): -6.4752 -6.4644 -6.2852 -6.2712 -6.1239 -6.1169 -6.0611 -6.0526 -4.1301 -4.1106 -4.0877 -4.0616 -3.5241 -3.5141 -3.4623 -3.4567 -3.4446 -3.4239 -0.8250 -0.8104 -0.6121 -0.5629 0.1247 0.1480 1.2941 1.4711 1.7072 1.8341 2.3411 2.4138 3.0646 3.1107 3.2450 3.3578 3.4297 3.5504 3.8759 3.9954 4.2514 4.3324 4.5386 4.5834 6.6737 6.7149 7.1495 7.1810 7.7602 7.7847 8.9309 9.0093 k = 0.0000 0.0000 0.7805 ( 5904 PWs) bands (ev): -6.4516 -6.4401 -6.3003 -6.2864 -6.1221 -6.1159 -6.0697 -6.0633 -4.1280 -4.1115 -4.0875 -4.0653 -3.5223 -3.5133 -3.4630 -3.4570 -3.4458 -3.4283 -0.8190 -0.8072 -0.6048 -0.5603 0.0846 0.1061 1.3097 1.4453 1.7498 1.8490 2.2882 2.3513 3.1017 3.1353 3.2772 3.3664 3.4812 3.5759 3.9088 4.0072 4.2933 4.3578 4.5449 4.5857 6.6059 6.6423 7.1256 7.1514 7.7807 7.8009 8.9512 9.0092 k = 0.0000 0.0000 0.8041 ( 5912 PWs) bands (ev): -6.4291 -6.4169 -6.3159 -6.3021 -6.1189 -6.1136 -6.0781 -6.0736 -4.1258 -4.1128 -4.0865 -4.0691 -3.5205 -3.5130 -3.4632 -3.4574 -3.4463 -3.4325 -0.8144 -0.8053 -0.5953 -0.5583 0.0526 0.0708 1.3238 1.4214 1.7941 1.8697 2.2376 2.2917 3.1322 3.1566 3.2990 3.3620 3.5333 3.6008 3.9383 4.0145 4.3274 4.3755 4.5544 4.5879 6.5502 6.5799 7.1060 7.1258 7.7981 7.8137 8.9635 9.0003 k = 0.0000 0.0000 0.8278 ( 5912 PWs) bands (ev): -6.4076 -6.3950 -6.3322 -6.3185 -6.1144 -6.1103 -6.0861 -6.0834 -4.1234 -4.1145 -4.0848 -4.0728 -3.5186 -3.5132 -3.4628 -3.4581 -3.4459 -3.4364 -0.8109 -0.8047 -0.5848 -0.5582 0.0299 0.0433 1.3370 1.4001 1.8371 1.8913 2.1948 2.2376 3.1563 3.1728 3.3130 3.3533 3.5763 3.6198 3.9642 4.0166 4.3536 4.3854 4.5653 4.5888 6.5097 6.5307 7.0921 7.1055 7.8118 7.8225 8.9691 8.9925 k = 0.0000 0.0000 0.8514 ( 5900 PWs) bands (ev): -6.3874 -6.3745 -6.3491 -6.3357 -6.1088 -6.1059 -6.0935 -6.0920 -4.1210 -4.1165 -4.0824 -4.0763 -3.5168 -3.5140 -3.4619 -3.4593 -3.4446 -3.4398 -0.8082 -0.8050 -0.5747 -0.5608 0.0174 0.0245 1.3505 1.3813 1.8747 1.9048 2.1683 2.1937 3.1733 3.1819 3.3232 3.3430 3.6072 3.6286 3.9858 4.0126 4.3722 4.3880 4.5754 4.5875 6.4867 6.4976 7.0846 7.0914 7.8214 7.8268 8.9728 8.9847 k = 0.0000 0.0000 0.8751 ( 5896 PWs) bands (ev): -6.3688 -6.3688 -6.3534 -6.3534 -6.1031 -6.1031 -6.0980 -6.0980 -4.1187 -4.1187 -4.0795 -4.0795 -3.5153 -3.5153 -3.4607 -3.4607 -3.4426 -3.4426 -0.8063 -0.8063 -0.5664 -0.5664 0.0157 0.0157 1.3650 1.3650 1.8998 1.8998 2.1678 2.1678 3.1821 3.1821 3.3328 3.3328 3.6247 3.6247 4.0022 4.0022 4.3836 4.3836 4.5831 4.5831 6.4826 6.4826 7.0843 7.0843 7.8264 7.8264 8.9777 8.9777 k = 0.0000 0.0000 0.8751 ( 5896 PWs) bands (ev): -6.3688 -6.3688 -6.3534 -6.3534 -6.1031 -6.1031 -6.0980 -6.0980 -4.1187 -4.1187 -4.0795 -4.0795 -3.5153 -3.5153 -3.4607 -3.4607 -3.4426 -3.4426 -0.8063 -0.8063 -0.5664 -0.5664 0.0157 0.0157 1.3650 1.3650 1.8998 1.8998 2.1678 2.1678 3.1821 3.1821 3.3328 3.3328 3.6247 3.6247 4.0022 4.0022 4.3836 4.3836 4.5831 4.5831 6.4826 6.4826 7.0843 7.0843 7.8264 7.8264 8.9777 8.9777 k =-0.0135 0.0193 0.8751 ( 5898 PWs) bands (ev): -6.3691 -6.3686 -6.3544 -6.3526 -6.1046 -6.1034 -6.0988 -6.0958 -4.1199 -4.1177 -4.0831 -4.0762 -3.5166 -3.5140 -3.4620 -3.4604 -3.4458 -3.4392 -0.8052 -0.8007 -0.5648 -0.5642 0.0135 0.0178 1.3640 1.3670 1.8985 1.9021 2.1603 2.1760 3.1716 3.1889 3.3263 3.3309 3.6183 3.6271 3.9974 4.0023 4.3792 4.3843 4.5790 4.5816 6.4831 6.4891 7.0862 7.0892 7.8276 7.8441 8.9607 8.9878 k =-0.0269 0.0387 0.8751 ( 5902 PWs) bands (ev): -6.3694 -6.3685 -6.3554 -6.3518 -6.1068 -6.1057 -6.0980 -6.0935 -4.1212 -4.1169 -4.0869 -4.0733 -3.5181 -3.5129 -3.4641 -3.4616 -3.4482 -3.4361 -0.7974 -0.7886 -0.5593 -0.5581 0.0114 0.0198 1.3641 1.3700 1.8981 1.9053 2.1535 2.1852 3.1575 3.1920 3.3108 3.3210 3.6082 3.6254 3.9880 3.9980 4.3712 4.3816 4.5693 4.5747 6.4903 6.5023 7.0946 7.1005 7.8470 7.8801 8.9354 8.9890 k =-0.0404 0.0580 0.8751 ( 5902 PWs) bands (ev): -6.3697 -6.3685 -6.3565 -6.3511 -6.1095 -6.1082 -6.0969 -6.0913 -4.1228 -4.1164 -4.0907 -4.0707 -3.5197 -3.5121 -3.4674 -3.4639 -3.4492 -3.4336 -0.7832 -0.7702 -0.5501 -0.5482 0.0092 0.0218 1.3652 1.3742 1.8987 1.9094 2.1474 2.1951 3.1401 3.1911 3.2865 3.3033 3.5948 3.6199 3.9742 3.9900 4.3594 4.3753 4.5544 4.5632 6.5042 6.5221 7.1095 7.1180 7.8835 7.9334 8.9027 8.9702 k =-0.0539 0.0774 0.8751 ( 5892 PWs) bands (ev): -6.3702 -6.3686 -6.3577 -6.3507 -6.1126 -6.1106 -6.0957 -6.0893 -4.1246 -4.1162 -4.0943 -4.0686 -3.5214 -3.5116 -3.4721 -3.4662 -3.4494 -3.4318 -0.7628 -0.7455 -0.5374 -0.5347 0.0070 0.0237 1.3674 1.3793 1.9001 1.9145 2.1418 2.2060 3.1194 3.1857 3.2540 3.2783 3.5786 3.6108 3.9567 3.9789 4.3437 4.3657 4.5349 4.5480 6.5246 6.5482 7.1304 7.1410 7.9348 8.0020 8.8632 8.9369 k =-0.0673 0.0967 0.8751 ( 5902 PWs) bands (ev): -6.3708 -6.3690 -6.3591 -6.3507 -6.1155 -6.1128 -6.0946 -6.0874 -4.1266 -4.1164 -4.0976 -4.0669 -3.5231 -3.5115 -3.4773 -3.4684 -3.4495 -3.4306 -0.7364 -0.7152 -0.5212 -0.5175 0.0050 0.0256 1.3705 1.3855 1.9023 1.9206 2.1366 2.2177 3.0955 3.1729 3.2170 3.2463 3.5600 3.5989 3.9362 3.9656 4.3238 4.3527 4.5114 4.5303 6.5511 6.5803 7.1566 7.1689 7.9979 8.0832 8.8172 8.8951 k =-0.0808 0.1160 0.8751 ( 5906 PWs) bands (ev): -6.3717 -6.3698 -6.3609 -6.3513 -6.1182 -6.1147 -6.0934 -6.0856 -4.1288 -4.1171 -4.1004 -4.0656 -3.5250 -3.5122 -3.4823 -3.4704 -3.4496 -3.4301 -0.7045 -0.6796 -0.5018 -0.4970 0.0032 0.0274 1.3746 1.3927 1.9054 1.9276 2.1318 2.2302 3.0684 3.1423 3.1868 3.2082 3.5396 3.5846 3.9136 3.9505 4.2996 4.3361 4.4854 4.5113 6.5835 6.6180 7.1874 7.2008 8.0688 8.1732 8.7647 8.8466 k =-0.0943 0.1354 0.8751 ( 5910 PWs) bands (ev): -6.3729 -6.3712 -6.3631 -6.3525 -6.1202 -6.1162 -6.0920 -6.0837 -4.1314 -4.1182 -4.1026 -4.0646 -3.5271 -3.5139 -3.4866 -3.4723 -3.4500 -3.4300 -0.6676 -0.6396 -0.4796 -0.4732 0.0019 0.0292 1.3797 1.4010 1.9092 1.9354 2.1270 2.2433 3.0369 3.0934 3.1568 3.1749 3.5180 3.5686 3.8895 3.9342 4.2712 4.3157 4.4581 4.4919 6.6211 6.6607 7.2218 7.2359 8.1416 8.2666 8.7058 8.7925 k =-0.1077 0.1547 0.8751 ( 5898 PWs) bands (ev): -6.3746 -6.3734 -6.3659 -6.3545 -6.1214 -6.1169 -6.0904 -6.0816 -4.1341 -4.1198 -4.1041 -4.0640 -3.5294 -3.5166 -3.4897 -3.4740 -3.4506 -3.4304 -0.6266 -0.5961 -0.4549 -0.4462 0.0014 0.0311 1.3857 1.4103 1.9137 1.9441 2.1223 2.2571 2.9964 3.0425 3.1077 3.1573 3.4957 3.5514 3.8646 3.9170 4.2390 4.2909 4.4312 4.4727 6.6635 6.7078 7.2587 7.2730 8.2085 8.3554 8.6408 8.7317 k =-0.1212 0.1741 0.8751 ( 5890 PWs) bands (ev): -6.3771 -6.3762 -6.3693 -6.3574 -6.1216 -6.1169 -6.0884 -6.0793 -4.1370 -4.1217 -4.1051 -4.0636 -3.5321 -3.5201 -3.4919 -3.4755 -3.4514 -3.4310 -0.5822 -0.5502 -0.4281 -0.4163 0.0024 0.0335 1.3926 1.4206 1.9187 1.9537 2.1174 2.2712 2.9405 3.0010 3.0521 3.1413 3.4731 3.5334 3.8394 3.8991 4.2034 4.2617 4.4059 4.4539 6.7101 6.7586 7.2968 7.3110 8.2584 8.4261 8.5709 8.6503 k =-0.1212 0.1741 0.8751 ( 5890 PWs) bands (ev): -6.3771 -6.3762 -6.3693 -6.3574 -6.1216 -6.1169 -6.0884 -6.0793 -4.1370 -4.1217 -4.1051 -4.0636 -3.5321 -3.5201 -3.4919 -3.4755 -3.4514 -3.4310 -0.5822 -0.5502 -0.4281 -0.4163 0.0024 0.0335 1.3926 1.4206 1.9187 1.9537 2.1174 2.2712 2.9405 3.0010 3.0521 3.1413 3.4731 3.5334 3.8394 3.8991 4.2034 4.2617 4.4059 4.4539 6.7101 6.7586 7.2968 7.3110 8.2584 8.4261 8.5709 8.6503 k =-0.1307 0.1877 0.8585 ( 5888 PWs) bands (ev): -6.3877 -6.3830 -6.3652 -6.3535 -6.1275 -6.1213 -6.0797 -6.0739 -4.1391 -4.1241 -4.1025 -4.0654 -3.5349 -3.5237 -3.4886 -3.4752 -3.4532 -3.4339 -0.5477 -0.5104 -0.4177 -0.3983 0.0085 0.0383 1.3982 1.4291 1.9150 1.9559 2.1344 2.2821 2.8952 2.9697 3.0122 3.1308 3.4392 3.5161 3.8318 3.8875 4.1832 4.2488 4.3800 4.4268 6.7508 6.7996 7.3199 7.3412 8.2844 8.4611 8.4976 8.5713 k =-0.1401 0.2013 0.8419 ( 5884 PWs) bands (ev): -6.3985 -6.3939 -6.3598 -6.3496 -6.1333 -6.1260 -6.0698 -6.0669 -4.1413 -4.1265 -4.0995 -4.0671 -3.5387 -3.5265 -3.4853 -3.4745 -3.4548 -3.4367 -0.5167 -0.4747 -0.4033 -0.3789 0.0198 0.0515 1.3999 1.4437 1.8990 1.9554 2.1614 2.3040 2.8387 2.9456 2.9666 3.1205 3.3966 3.4909 3.8257 3.8750 4.1599 4.2326 4.3543 4.3984 6.7997 6.8493 7.3429 7.3729 8.2937 8.4239 8.4778 8.4939 k =-0.1496 0.2149 0.8254 ( 5892 PWs) bands (ev): -6.4091 -6.4050 -6.3558 -6.3471 -6.1389 -6.1309 -6.0590 -6.0584 -4.1435 -4.1291 -4.0962 -4.0689 -3.5428 -3.5289 -3.4822 -3.4733 -3.4561 -3.4396 -0.4953 -0.4486 -0.3752 -0.3564 0.0363 0.0725 1.4005 1.4613 1.8778 1.9514 2.1931 2.3345 2.7785 2.9140 2.9259 3.1093 3.3465 3.4583 3.8210 3.8615 4.1332 4.2121 4.3309 4.3702 6.8560 6.9064 7.3642 7.4041 8.2715 8.3711 8.4041 8.4939 k =-0.1591 0.2285 0.8088 ( 5892 PWs) bands (ev): -6.4193 -6.4160 -6.3531 -6.3459 -6.1441 -6.1356 -6.0496 -6.0469 -4.1456 -4.1316 -4.0929 -4.0706 -3.5471 -3.5311 -3.4795 -3.4721 -3.4567 -3.4422 -0.4875 -0.4310 -0.3359 -0.3251 0.0582 0.0999 1.4011 1.4805 1.8552 1.9448 2.2266 2.3707 2.7176 2.8623 2.9019 3.0963 3.2907 3.4194 3.8174 3.8468 4.1027 4.1873 4.3114 4.3438 6.9183 6.9696 7.3825 7.4329 8.2126 8.3042 8.3688 8.4946 k =-0.1685 0.2421 0.7922 ( 5886 PWs) bands (ev): -6.4291 -6.4265 -6.3517 -6.3461 -6.1489 -6.1401 -6.0398 -6.0347 -4.1476 -4.1343 -4.0898 -4.0719 -3.5513 -3.5333 -3.4772 -3.4714 -3.4560 -3.4446 -0.4898 -0.4204 -0.2954 -0.2797 0.0853 0.1324 1.4017 1.5009 1.8326 1.9371 2.2593 2.4092 2.6588 2.8082 2.8777 3.0792 3.2327 3.3760 3.8137 3.8306 4.0677 4.1596 4.2962 4.3204 6.9854 7.0375 7.3959 7.4569 8.1413 8.2209 8.3645 8.4931 k =-0.1780 0.2557 0.7756 ( 5880 PWs) bands (ev): -6.4386 -6.4366 -6.3514 -6.3472 -6.1534 -6.1443 -6.0297 -6.0223 -4.1494 -4.1369 -4.0874 -4.0725 -3.5552 -3.5356 -3.4755 -3.4717 -3.4537 -3.4465 -0.4970 -0.4160 -0.2513 -0.2278 0.1168 0.1689 1.4022 1.5222 1.8109 1.9295 2.2894 2.4444 2.6070 2.7537 2.8519 3.0531 3.1788 3.3301 3.8033 3.8182 4.0283 4.1315 4.2845 4.3010 7.0559 7.1088 7.4026 7.4736 8.0705 8.1399 8.3658 8.4928 k =-0.1875 0.2693 0.7591 ( 5874 PWs) bands (ev): -6.4477 -6.4460 -6.3520 -6.3492 -6.1575 -6.1481 -6.0195 -6.0099 -4.1510 -4.1396 -4.0864 -4.0716 -3.5589 -3.5378 -3.4744 -3.4729 -3.4506 -3.4473 -0.5066 -0.4159 -0.2034 -0.1734 0.1520 0.2083 1.4028 1.5443 1.7904 1.9227 2.3143 2.4607 2.5779 2.7000 2.8241 3.0106 3.1377 3.2843 3.7802 3.8139 3.9854 4.1054 4.2750 4.2860 7.1284 7.1818 7.4011 7.4805 8.0054 8.0644 8.3703 8.4955 k =-0.1969 0.2829 0.7425 ( 5879 PWs) bands (ev): -6.4565 -6.4547 -6.3533 -6.3519 -6.1612 -6.1516 -6.0094 -5.9978 -4.1524 -4.1423 -4.0869 -4.0693 -3.5624 -3.5401 -3.4745 -3.4741 -3.4489 -3.4451 -0.5172 -0.4185 -0.1532 -0.1179 0.1899 0.2498 1.4033 1.5669 1.7712 1.9169 2.3299 2.4401 2.5909 2.6490 2.7939 2.9515 3.1107 3.2416 3.7505 3.8103 3.9411 4.0828 4.2663 4.2764 7.2008 7.2545 7.3907 7.4757 7.9485 7.9963 8.3762 8.4947 k =-0.2064 0.2965 0.7259 ( 5871 PWs) bands (ev): -6.4649 -6.4627 -6.3553 -6.3548 -6.1645 -6.1548 -5.9995 -5.9860 -4.1535 -4.1449 -4.0885 -4.0661 -3.5655 -3.5422 -3.4764 -3.4747 -3.4480 -3.4406 -0.5280 -0.4229 -0.1019 -0.0620 0.2297 0.2928 1.4038 1.5897 1.7537 1.9121 2.3277 2.4076 2.6030 2.6258 2.7611 2.8836 3.0907 3.2055 3.7160 3.8034 3.8989 4.0640 4.2582 4.2712 7.2695 7.3232 7.3733 7.4608 7.9008 7.9367 8.3779 8.4671 k =-0.2159 0.3101 0.7093 ( 5875 PWs) bands (ev): -6.4728 -6.4699 -6.3584 -6.3573 -6.1674 -6.1576 -5.9902 -5.9748 -4.1545 -4.1475 -4.0905 -4.0625 -3.5684 -3.5443 -3.4783 -3.4760 -3.4465 -3.4357 -0.5386 -0.4281 -0.0502 -0.0065 0.2703 0.3366 1.4043 1.6124 1.7379 1.9082 2.3010 2.3829 2.5648 2.6642 2.7264 2.8143 3.0719 3.1793 3.6777 3.7873 3.8660 4.0489 4.2516 4.2690 7.3120 7.3686 7.3731 7.4524 7.8619 7.8858 8.3652 8.4348 k =-0.2254 0.3237 0.6928 ( 5875 PWs) bands (ev): -6.4801 -6.4765 -6.3619 -6.3598 -6.1699 -6.1601 -5.9813 -5.9644 -4.1552 -4.1499 -4.0928 -4.0588 -3.5709 -3.5463 -3.4803 -3.4777 -3.4445 -3.4308 -0.5488 -0.4338 0.0008 0.0479 0.3109 0.3805 1.4052 1.6338 1.7249 1.9048 2.2605 2.3577 2.5348 2.6775 2.7083 2.7543 3.0525 3.1639 3.6368 3.7567 3.8487 4.0368 4.2468 4.2689 7.2903 7.3583 7.4213 7.4918 7.8295 7.8432 8.3379 8.4023 k =-0.2348 0.3373 0.6762 ( 5871 PWs) bands (ev): -6.4867 -6.4824 -6.3655 -6.3624 -6.1721 -6.1621 -5.9732 -5.9548 -4.1559 -4.1521 -4.0952 -4.0551 -3.5732 -3.5481 -3.4824 -3.4797 -3.4421 -3.4259 -0.5582 -0.4397 0.0504 0.1006 0.3507 0.4239 1.4065 1.6512 1.7172 1.9014 2.2180 2.3244 2.5068 2.6456 2.6737 2.7623 3.0335 3.1580 3.5949 3.7174 3.8422 4.0270 4.2437 4.2707 7.2515 7.3167 7.4789 7.5502 7.8011 7.8082 8.3053 8.3723 k =-0.2443 0.3509 0.6596 ( 5874 PWs) bands (ev): -6.4927 -6.4876 -6.3689 -6.3651 -6.1738 -6.1638 -5.9659 -5.9461 -4.1568 -4.1538 -4.0976 -4.0516 -3.5752 -3.5497 -3.4846 -3.4817 -3.4396 -3.4212 -0.5667 -0.4453 0.0978 0.1507 0.3886 0.4659 1.4084 1.6583 1.7208 1.8976 2.1780 2.2855 2.4703 2.6091 2.6283 2.7993 3.0161 3.1593 3.5535 3.6763 3.8402 4.0188 4.2419 4.2740 7.2094 7.2692 7.5311 7.6074 7.7747 7.7801 8.2728 8.3459 k =-0.2538 0.3645 0.6430 ( 5882 PWs) bands (ev): -6.4979 -6.4921 -6.3722 -6.3676 -6.1751 -6.1651 -5.9595 -5.9385 -4.1582 -4.1545 -4.0999 -4.0484 -3.5770 -3.5510 -3.4868 -3.4836 -3.4371 -3.4167 -0.5743 -0.4507 0.1421 0.1976 0.4237 0.5055 1.4110 1.6537 1.7372 1.8930 2.1429 2.2449 2.4227 2.5581 2.6114 2.8371 3.0005 3.1657 3.5140 3.6364 3.8402 4.0116 4.2414 4.2787 7.1675 7.2216 7.5752 7.6595 7.7511 7.7576 8.2429 8.3233 k =-0.2632 0.3781 0.6265 ( 5883 PWs) bands (ev): -6.5024 -6.4959 -6.3753 -6.3701 -6.1761 -6.1661 -5.9540 -5.9319 -4.1599 -4.1546 -4.1022 -4.0454 -3.5786 -3.5521 -3.4890 -3.4853 -3.4347 -3.4125 -0.5809 -0.4556 0.1824 0.2405 0.4551 0.5418 1.4143 1.6434 1.7603 1.8873 2.1142 2.2058 2.3694 2.5067 2.6057 2.8742 2.9861 3.1762 3.4776 3.5989 3.8413 4.0052 4.2419 4.2846 7.1282 7.1770 7.6090 7.7042 7.7308 7.7420 8.2165 8.3044 k =-0.2727 0.3917 0.6099 ( 5895 PWs) bands (ev): -6.5061 -6.4989 -6.3781 -6.3722 -6.1766 -6.1667 -5.9496 -5.9266 -4.1616 -4.1545 -4.1043 -4.0428 -3.5799 -3.5530 -3.4913 -3.4868 -3.4325 -3.4087 -0.5864 -0.4599 0.2179 0.2787 0.4818 0.5734 1.4179 1.6313 1.7860 1.8805 2.0931 2.1705 2.3161 2.4575 2.6046 2.9104 2.9718 3.1900 3.4453 3.5642 3.8429 3.9994 4.2432 4.2914 7.0932 7.1373 7.6302 7.7106 7.7290 7.7508 8.1938 8.2891 k =-0.2822 0.4053 0.5933 ( 5893 PWs) bands (ev): -6.5090 -6.5012 -6.3805 -6.3742 -6.1768 -6.1669 -5.9462 -5.9224 -4.1631 -4.1541 -4.1063 -4.0404 -3.5809 -3.5536 -3.4935 -3.4881 -3.4306 -3.4053 -0.5908 -0.4638 0.2475 0.3114 0.5029 0.5991 1.4214 1.6194 1.8116 1.8745 2.0805 2.1404 2.2665 2.4117 2.6057 2.9439 2.9590 3.2062 3.4178 3.5326 3.8450 3.9938 4.2452 4.2990 7.0639 7.1040 7.6382 7.6945 7.7338 7.7816 8.1748 8.2770 k =-0.2916 0.4189 0.5767 ( 5887 PWs) bands (ev): -6.5112 -6.5027 -6.3825 -6.3757 -6.1766 -6.1667 -5.9439 -5.9194 -4.1644 -4.1537 -4.1081 -4.0385 -3.5817 -3.5539 -3.4956 -3.4893 -3.4290 -3.4024 -0.5942 -0.4670 0.2705 0.3382 0.5176 0.6174 1.4234 1.6094 1.8297 1.8767 2.0765 2.1163 2.2228 2.3704 2.6079 2.9379 2.9846 3.2243 3.3952 3.5042 3.8475 3.9885 4.2478 4.3069 7.0412 7.0780 7.6377 7.6812 7.7426 7.8079 8.1596 8.2679 k =-0.3011 0.4325 0.5602 ( 5889 PWs) bands (ev): -6.5125 -6.5035 -6.3840 -6.3770 -6.1760 -6.1662 -5.9427 -5.9177 -4.1654 -4.1532 -4.1096 -4.0369 -3.5822 -3.5539 -3.4976 -3.4903 -3.4278 -3.4000 -0.5965 -0.4695 0.2863 0.3582 0.5255 0.6274 1.4227 1.6032 1.8302 1.8982 2.0802 2.0983 2.1866 2.3354 2.6106 2.9204 3.0211 3.2434 3.3773 3.4791 3.8501 3.9834 4.2508 4.3151 7.0257 7.0601 7.6340 7.6716 7.7515 7.8282 8.1479 8.2614 k =-0.3106 0.4461 0.5436 ( 5885 PWs) bands (ev): -6.5130 -6.5035 -6.3852 -6.3779 -6.1750 -6.1653 -5.9427 -5.9173 -4.1661 -4.1527 -4.1108 -4.0357 -3.5825 -3.5538 -3.4994 -3.4911 -3.4270 -3.3980 -0.5977 -0.4715 0.2944 0.3710 0.5262 0.6283 1.4183 1.6020 1.8217 1.9309 2.0789 2.0961 2.1597 2.3090 2.6140 2.9022 3.0586 3.2619 3.3644 3.4579 3.8530 3.9786 4.2541 4.3233 7.0179 7.0508 7.6304 7.6659 7.7579 7.8425 8.1395 8.2575 k =-0.3106 0.4461 0.5436 ( 5885 PWs) bands (ev): -6.5130 -6.5035 -6.3852 -6.3779 -6.1750 -6.1653 -5.9427 -5.9173 -4.1661 -4.1527 -4.1108 -4.0357 -3.5825 -3.5538 -3.4994 -3.4911 -3.4270 -3.3980 -0.5977 -0.4715 0.2944 0.3710 0.5262 0.6283 1.4183 1.6020 1.8217 1.9309 2.0789 2.0961 2.1597 2.3090 2.6140 2.9022 3.0586 3.2619 3.3644 3.4579 3.8530 3.9786 4.2541 4.3233 7.0179 7.0508 7.6304 7.6659 7.7579 7.8425 8.1395 8.2575 k =-0.3012 0.4326 0.5271 ( 5879 PWs) bands (ev): -6.5224 -6.5132 -6.3681 -6.3606 -6.1800 -6.1703 -5.9436 -5.9178 -4.1662 -4.1541 -4.1084 -4.0346 -3.5832 -3.5540 -3.4986 -3.4877 -3.4267 -3.3964 -0.6095 -0.4866 0.2822 0.3859 0.5577 0.6284 1.3957 1.5715 1.8127 1.9154 2.0596 2.0818 2.1506 2.2802 2.6136 2.9105 3.0725 3.2494 3.3623 3.4763 3.8609 3.9744 4.2583 4.3271 7.0493 7.0885 7.6675 7.6939 7.7806 7.8598 8.2145 8.3270 k =-0.2918 0.4191 0.5106 ( 5871 PWs) bands (ev): -6.5355 -6.5271 -6.3500 -6.3424 -6.1819 -6.1720 -5.9445 -5.9183 -4.1660 -4.1550 -4.1056 -4.0337 -3.5832 -3.5541 -3.4973 -3.4841 -3.4263 -3.3949 -0.6238 -0.5051 0.2541 0.3778 0.6071 0.6523 1.3740 1.5428 1.8023 1.9014 2.0396 2.0696 2.1442 2.2506 2.6175 2.9200 3.0864 3.2345 3.3670 3.5019 3.8652 3.9667 4.2608 4.3290 7.0797 7.1249 7.7011 7.7216 7.7977 7.8700 8.2828 8.3885 k =-0.2824 0.4056 0.4942 ( 5863 PWs) bands (ev): -6.5521 -6.5446 -6.3311 -6.3234 -6.1808 -6.1705 -5.9453 -5.9189 -4.1653 -4.1552 -4.1025 -4.0330 -3.5826 -3.5541 -3.4956 -3.4804 -3.4259 -3.3937 -0.6404 -0.5264 0.2184 0.3531 0.6645 0.6936 1.3537 1.5169 1.7899 1.8892 2.0201 2.0593 2.1401 2.2210 2.6249 2.9300 3.0999 3.2215 3.3786 3.5316 3.8658 3.9550 4.2615 4.3290 7.1086 7.1594 7.7298 7.7510 7.8107 7.8753 8.3438 8.4421 k =-0.2729 0.3920 0.4777 ( 5877 PWs) bands (ev): -6.5717 -6.5651 -6.3118 -6.3039 -6.1771 -6.1662 -5.9461 -5.9195 -4.1642 -4.1548 -4.0992 -4.0324 -3.5814 -3.5538 -3.4934 -3.4765 -3.4255 -3.3926 -0.6588 -0.5500 0.1792 0.3197 0.7223 0.7456 1.3353 1.4947 1.7749 1.8787 2.0023 2.0504 2.1380 2.1922 2.6352 2.9396 3.1122 3.2139 3.3967 3.5638 3.8628 3.9391 4.2604 4.3272 7.1362 7.1917 7.7541 7.7808 7.8222 7.8783 8.3971 8.4880 k =-0.2635 0.3785 0.4612 ( 5885 PWs) bands (ev): -6.5936 -6.5880 -6.2921 -6.2840 -6.1712 -6.1596 -5.9468 -5.9201 -4.1625 -4.1539 -4.0956 -4.0321 -3.5795 -3.5533 -3.4908 -3.4726 -3.4251 -3.3918 -0.6787 -0.5754 0.1385 0.2821 0.7759 0.8042 1.3200 1.4775 1.7572 1.8691 1.9879 2.0419 2.1375 2.1654 2.6481 2.9481 3.1232 3.2138 3.4203 3.5966 3.8567 3.9189 4.2577 4.3242 7.1623 7.2214 7.7751 7.8080 7.8343 7.8837 8.4424 8.5265 k =-0.2541 0.3650 0.4447 ( 5901 PWs) bands (ev): -6.6174 -6.6126 -6.2721 -6.2639 -6.1635 -6.1511 -5.9475 -5.9208 -4.1604 -4.1523 -4.0919 -4.0320 -3.5771 -3.5526 -3.4880 -3.4686 -3.4245 -3.3912 -0.6999 -0.6022 0.0974 0.2425 0.8241 0.8638 1.3094 1.4664 1.7369 1.8596 1.9773 2.0325 2.1378 2.1425 2.6633 2.9553 3.1334 3.2215 3.4485 3.6284 3.8485 3.8946 4.2539 4.3202 7.1873 7.2485 7.7913 7.8325 7.8448 7.8988 8.4789 8.5575 k =-0.2447 0.3515 0.4283 ( 5901 PWs) bands (ev): -6.6426 -6.6385 -6.2521 -6.2436 -6.1544 -6.1412 -5.9482 -5.9215 -4.1577 -4.1502 -4.0881 -4.0321 -3.5741 -3.5514 -3.4849 -3.4648 -3.4238 -3.3909 -0.7219 -0.6300 0.0564 0.2020 0.8663 0.9194 1.3060 1.4628 1.7148 1.8498 1.9702 2.0214 2.1229 2.1405 2.6811 2.9617 3.1436 3.2361 3.4800 3.6560 3.8403 3.8671 4.2494 4.3160 7.2115 7.2734 7.8025 7.8494 7.8601 7.9255 8.5056 8.5806 k =-0.2353 0.3380 0.4118 ( 5901 PWs) bands (ev): -6.6686 -6.6652 -6.2320 -6.2234 -6.1441 -6.1302 -5.9487 -5.9222 -4.1545 -4.1476 -4.0842 -4.0323 -3.5705 -3.5500 -3.4817 -3.4610 -3.4230 -3.3908 -0.7445 -0.6583 0.0158 0.1612 0.9014 0.9668 1.3131 1.4674 1.6917 1.8394 1.9647 2.0090 2.1095 2.1433 2.7014 2.9681 3.1540 3.2560 3.5134 3.6749 3.8277 3.8461 4.2450 4.3124 7.2351 7.2965 7.8107 7.8543 7.8897 7.9584 8.5214 8.5947 k =-0.2259 0.3244 0.3953 ( 5901 PWs) bands (ev): -6.6953 -6.6924 -6.2120 -6.2032 -6.1330 -6.1184 -5.9493 -5.9230 -4.1509 -4.1445 -4.0803 -4.0327 -3.5663 -3.5481 -3.4783 -3.4576 -3.4218 -3.3909 -0.7675 -0.6871 -0.0241 0.1206 0.9288 1.0021 1.3340 1.4800 1.6686 1.8287 1.9573 1.9983 2.1010 2.1473 2.7242 2.9755 3.1639 3.2801 3.5460 3.6798 3.7984 3.8512 4.2419 4.3103 7.2587 7.3184 7.8180 7.8611 7.9222 7.9935 8.5245 8.5988 k =-0.2165 0.3109 0.3789 ( 5893 PWs) bands (ev): -6.7222 -6.7197 -6.1923 -6.1833 -6.1212 -6.1061 -5.9497 -5.9238 -4.1469 -4.1409 -4.0764 -4.0332 -3.5617 -3.5459 -3.4749 -3.4545 -3.4203 -3.3912 -0.7907 -0.7158 -0.0631 0.0804 0.9484 1.0243 1.3694 1.4988 1.6473 1.8179 1.9447 1.9924 2.0966 2.1524 2.7493 2.9842 3.1724 3.3073 3.5728 3.6699 3.7706 3.8702 4.2413 4.3105 7.2824 7.3396 7.8254 7.8715 7.9561 8.0290 8.5133 8.5914 k =-0.2071 0.2974 0.3624 ( 5893 PWs) bands (ev): -6.7492 -6.7471 -6.1728 -6.1637 -6.1089 -6.0933 -5.9501 -5.9246 -4.1425 -4.1368 -4.0727 -4.0338 -3.5565 -3.5432 -3.4714 -3.4518 -3.4184 -3.3917 -0.8138 -0.7444 -0.1011 0.0407 0.9616 1.0358 1.4166 1.5196 1.6304 1.8075 1.9283 1.9900 2.0959 2.1590 2.7761 2.9942 3.1788 3.3365 3.5849 3.6474 3.7587 3.8964 4.2447 4.3140 7.3063 7.3604 7.8340 7.8857 7.9902 8.0632 8.4861 8.5714 k =-0.1976 0.2839 0.3459 ( 5901 PWs) bands (ev): -6.7759 -6.7742 -6.1537 -6.1446 -6.0964 -6.0804 -5.9504 -5.9254 -4.1378 -4.1324 -4.0690 -4.0345 -3.5509 -3.5402 -3.4680 -3.4496 -3.4161 -3.3924 -0.8367 -0.7726 -0.1380 0.0017 0.9699 1.0403 1.4713 1.5343 1.6236 1.7983 1.9111 1.9878 2.0990 2.1672 2.8036 3.0046 3.1825 3.3656 3.5769 3.6146 3.7729 3.9255 4.2534 4.3214 7.3300 7.3807 7.8440 7.9032 8.0229 8.0942 8.4422 8.5384 k =-0.1882 0.2704 0.3294 ( 5905 PWs) bands (ev): -6.8023 -6.8008 -6.1351 -6.1259 -6.0837 -6.0674 -5.9506 -5.9262 -4.1330 -4.1276 -4.0655 -4.0353 -3.5449 -3.5367 -3.4645 -3.4478 -3.4134 -3.3933 -0.8591 -0.8002 -0.1737 -0.0365 0.9750 1.0412 1.5236 1.5406 1.6314 1.7916 1.8957 1.9842 2.1060 2.1769 2.8309 3.0137 3.1834 3.3905 3.5552 3.5802 3.8065 3.9551 4.2687 4.3334 7.3531 7.4001 7.8552 7.9231 8.0520 8.1187 8.3825 8.4934 k =-0.1788 0.2569 0.3130 ( 5903 PWs) bands (ev): -6.8281 -6.8268 -6.1170 -6.1079 -6.0709 -6.0545 -5.9508 -5.9270 -4.1280 -4.1225 -4.0621 -4.0361 -3.5386 -3.5328 -3.4611 -3.4464 -3.4104 -3.3943 -0.8810 -0.8270 -0.2081 -0.0738 0.9786 1.0410 1.5218 1.5899 1.6465 1.7889 1.8843 1.9788 2.1166 2.1881 2.8567 3.0193 3.1809 3.4002 3.5332 3.5552 3.8502 3.9848 4.2910 4.3501 7.3745 7.4174 7.8664 7.9437 8.0730 8.1300 8.3125 8.4405 k =-0.1694 0.2433 0.2965 ( 5899 PWs) bands (ev): -6.8532 -6.8521 -6.0995 -6.0905 -6.0582 -6.0418 -5.9508 -5.9277 -4.1229 -4.1172 -4.0590 -4.0369 -3.5320 -3.5285 -3.4579 -3.4453 -3.4073 -3.3953 -0.9023 -0.8530 -0.2411 -0.1102 0.9817 1.0411 1.5085 1.6364 1.6644 1.7916 1.8797 1.9726 2.1302 2.2005 2.8797 3.0198 3.1736 3.3798 3.5267 3.5487 3.8994 4.0153 4.3198 4.3715 7.3923 7.4309 7.8748 7.9617 8.0760 8.1135 8.2487 8.3796 k =-0.1600 0.2298 0.2800 ( 5901 PWs) bands (ev): -6.8776 -6.8766 -6.0826 -6.0739 -6.0456 -6.0294 -5.9507 -5.9284 -4.1178 -4.1117 -4.0561 -4.0378 -3.5257 -3.5233 -3.4549 -3.4441 -3.4040 -3.3963 -0.9227 -0.8779 -0.2725 -0.1455 0.9854 1.0425 1.4949 1.6497 1.6968 1.8022 1.8836 1.9673 2.1458 2.2137 2.8989 3.0144 3.1596 3.3353 3.5284 3.5685 3.9521 4.0479 4.3543 4.3973 7.4040 7.4375 7.8743 7.9676 8.0375 8.0680 8.2152 8.3123 k =-0.1506 0.2163 0.2636 ( 5881 PWs) bands (ev): -6.9009 -6.9001 -6.0665 -6.0582 -6.0333 -6.0175 -5.9503 -5.9290 -4.1127 -4.1061 -4.0535 -4.0386 -3.5202 -3.5168 -3.4526 -3.4427 -3.4010 -3.3971 -0.9423 -0.9017 -0.3025 -0.1797 0.9902 1.0458 1.4825 1.6472 1.7176 1.8249 1.8955 1.9652 2.1626 2.2270 2.9137 3.0037 3.1378 3.2814 3.5412 3.6011 4.0076 4.0841 4.3930 4.4269 7.4062 7.4334 7.8509 7.9322 7.9643 8.0350 8.2042 8.2707 k =-0.1412 0.2028 0.2471 ( 5877 PWs) bands (ev): -6.9233 -6.9226 -6.0512 -6.0434 -6.0212 -6.0061 -5.9498 -5.9295 -4.1076 -4.1006 -4.0512 -4.0394 -3.5150 -3.5097 -3.4509 -3.4409 -3.3993 -3.3965 -0.9609 -0.9244 -0.3307 -0.2127 0.9967 1.0514 1.4718 1.6393 1.7205 1.8502 1.9162 1.9687 2.1794 2.2397 2.9237 2.9889 3.1095 3.2250 3.5663 3.6386 4.0653 4.1250 4.4347 4.4599 7.3944 7.4141 7.7887 7.8379 7.9188 8.0158 8.2049 8.2517 k =-0.1318 0.1893 0.2306 ( 5871 PWs) bands (ev): -6.9446 -6.9440 -6.0367 -6.0295 -6.0097 -5.9955 -5.9490 -5.9298 -4.1027 -4.0952 -4.0491 -4.0402 -3.5098 -3.5024 -3.4499 -3.4387 -3.3996 -3.3938 -0.9785 -0.9457 -0.3572 -0.2445 1.0051 1.0597 1.4631 1.6289 1.7152 1.8615 1.9483 1.9781 2.1951 2.2510 2.9289 2.9714 3.0778 3.1702 3.6014 3.6786 4.1251 4.1710 4.4783 4.4955 7.3647 7.3760 7.6990 7.7324 7.8828 7.9955 8.2179 8.2500 k =-0.1224 0.1757 0.2141 ( 5879 PWs) bands (ev): -6.9647 -6.9642 -6.0231 -6.0166 -5.9987 -5.9857 -5.9477 -5.9299 -4.0979 -4.0899 -4.0474 -4.0409 -3.5046 -3.4952 -3.4494 -3.4364 -3.3998 -3.3908 -0.9950 -0.9658 -0.3820 -0.2749 1.0155 1.0707 1.4566 1.6174 1.7072 1.8612 1.9771 1.9976 2.2083 2.2597 2.9280 2.9536 3.0465 3.1200 3.6434 3.7199 4.1869 4.2222 4.5227 4.5330 7.3149 7.3191 7.6004 7.6264 7.8504 7.9722 8.2392 8.2652 k =-0.1129 0.1622 0.1977 ( 5881 PWs) bands (ev): -6.9836 -6.9831 -6.0104 -6.0047 -5.9886 -5.9772 -5.9457 -5.9296 -4.0932 -4.0848 -4.0460 -4.0414 -3.4993 -3.4882 -3.4491 -3.4344 -3.3995 -3.3880 -1.0103 -0.9844 -0.4048 -0.3039 1.0280 1.0846 1.4521 1.6057 1.6987 1.8561 1.9889 2.0301 2.2172 2.2650 2.9139 2.9433 3.0187 3.0779 3.6895 3.7618 4.2507 4.2781 4.5669 4.5719 7.2432 7.2491 7.5009 7.5228 7.8211 7.9465 8.2666 8.2914 k =-0.1035 0.1487 0.1812 ( 5873 PWs) bands (ev): -7.0011 -7.0008 -5.9988 -5.9938 -5.9795 -5.9700 -5.9428 -5.9286 -4.0887 -4.0800 -4.0450 -4.0419 -3.4941 -3.4815 -3.4490 -3.4329 -3.3986 -3.3852 -1.0245 -1.0017 -0.4258 -0.3314 1.0425 1.1012 1.4493 1.5947 1.6907 1.8493 1.9941 2.0593 2.2202 2.2666 2.8880 2.9398 2.9963 3.0474 3.7374 3.8034 4.3163 4.3382 4.6092 4.6124 7.1572 7.1675 7.4041 7.4231 7.7931 7.9175 8.2989 8.3223 k =-0.0941 0.1352 0.1647 ( 5873 PWs) bands (ev): -7.0173 -7.0170 -5.9883 -5.9838 -5.9720 -5.9644 -5.9390 -5.9269 -4.0845 -4.0755 -4.0444 -4.0422 -3.4891 -3.4753 -3.4489 -3.4321 -3.3969 -3.3826 -1.0375 -1.0176 -0.4447 -0.3573 1.0590 1.1205 1.4477 1.5854 1.6834 1.8425 1.9952 2.0803 2.2158 2.2644 2.8596 2.9347 2.9822 3.0299 3.7855 3.8440 4.3836 4.4015 4.6487 4.6541 7.0637 7.0767 7.3116 7.3284 7.7644 7.8838 8.3340 8.3554 k =-0.0847 0.1217 0.1482 ( 5877 PWs) bands (ev): -7.0321 -7.0318 -5.9789 -5.9749 -5.9662 -5.9599 -5.9344 -5.9241 -4.0804 -4.0714 -4.0441 -4.0422 -3.4842 -3.4696 -3.4488 -3.4319 -3.3945 -3.3802 -1.0493 -1.0320 -0.4615 -0.3815 1.0772 1.1422 1.4466 1.5789 1.6763 1.8364 1.9926 2.0911 2.2041 2.2576 2.8342 2.9237 2.9804 3.0229 3.8321 3.8828 4.4523 4.4671 4.6867 4.6945 6.9666 6.9808 7.2248 7.2398 7.7340 7.8455 8.3698 8.3893 k =-0.0753 0.1081 0.1318 ( 5877 PWs) bands (ev): -7.0454 -7.0452 -5.9710 -5.9670 -5.9619 -5.9563 -5.9293 -5.9205 -4.0767 -4.0677 -4.0441 -4.0422 -3.4795 -3.4646 -3.4486 -3.4322 -3.3916 -3.3779 -1.0598 -1.0449 -0.4762 -0.4040 1.0968 1.1657 1.4454 1.5764 1.6691 1.8312 1.9871 2.0915 2.1870 2.2449 2.8150 2.9101 2.9884 3.0230 3.8763 3.9193 4.5216 4.5338 4.7230 4.7325 6.8691 6.8834 7.1447 7.1580 7.7020 7.8036 8.4046 8.4228 k =-0.0659 0.0946 0.1153 ( 5879 PWs) bands (ev): -7.0573 -7.0571 -5.9651 -5.9608 -5.9577 -5.9532 -5.9240 -5.9163 -4.0731 -4.0644 -4.0443 -4.0423 -3.4751 -3.4604 -3.4483 -3.4330 -3.3883 -3.3757 -1.0690 -1.0564 -0.4887 -0.4247 1.1176 1.1905 1.4436 1.5789 1.6607 1.8272 1.9795 2.0821 2.1673 2.2256 2.8037 2.8977 3.0013 3.0279 3.9170 3.9527 4.5903 4.6003 4.7573 4.7675 6.7737 6.7873 7.0720 7.0836 7.6697 7.7600 8.4375 8.4545 k =-0.0565 0.0811 0.0988 ( 5869 PWs) bands (ev): -7.0676 -7.0675 -5.9615 -5.9570 -5.9523 -5.9501 -5.9188 -5.9121 -4.0699 -4.0616 -4.0445 -4.0424 -3.4710 -3.4570 -3.4479 -3.4340 -3.3849 -3.3738 -1.0769 -1.0665 -0.4990 -0.4435 1.1392 1.2152 1.4415 1.5869 1.6504 1.8242 1.9703 2.0663 2.1463 2.2005 2.7998 2.8876 3.0164 3.0359 3.9537 3.9827 4.6571 4.6652 4.7889 4.7992 6.6828 6.6952 7.0076 7.0175 7.6386 7.7168 8.4679 8.4829 k =-0.0471 0.0676 0.0824 ( 5867 PWs) bands (ev): -7.0764 -7.0763 -5.9596 -5.9551 -5.9472 -5.9463 -5.9140 -5.9082 -4.0669 -4.0593 -4.0447 -4.0427 -3.4672 -3.4546 -3.4472 -3.4353 -3.3816 -3.3721 -1.0836 -1.0751 -0.5070 -0.4603 1.1610 1.2382 1.4406 1.5999 1.6375 1.8212 1.9600 2.0493 2.1239 2.1716 2.8018 2.8794 3.0318 3.0454 3.9856 4.0086 4.7196 4.7263 4.8178 4.8274 6.5988 6.6095 6.9521 6.9603 7.6103 7.6759 8.4953 8.5071 k =-0.0376 0.0541 0.0659 ( 5867 PWs) bands (ev): -7.0836 -7.0835 -5.9583 -5.9543 -5.9429 -5.9426 -5.9097 -5.9050 -4.0643 -4.0575 -4.0449 -4.0430 -3.4638 -3.4532 -3.4463 -3.4366 -3.3785 -3.3708 -1.0889 -1.0822 -0.5127 -0.4750 1.1828 1.2570 1.4433 1.6115 1.6272 1.8159 1.9499 2.0369 2.0989 2.1421 2.8080 2.8724 3.0462 3.0553 4.0126 4.0301 4.7752 4.7807 4.8439 4.8523 6.5241 6.5329 6.9059 6.9124 7.5862 7.6389 8.5191 8.5268 k =-0.0282 0.0406 0.0494 ( 5867 PWs) bands (ev): -7.0892 -7.0892 -5.9572 -5.9541 -5.9395 -5.9394 -5.9061 -5.9025 -4.0619 -4.0563 -4.0450 -4.0434 -3.4608 -3.4526 -3.4452 -3.4379 -3.3757 -3.3699 -1.0929 -1.0880 -0.5161 -0.4877 1.2038 1.2687 1.4523 1.5960 1.6443 1.8045 1.9443 2.0319 2.0705 2.1151 2.8165 2.8659 3.0585 3.0643 4.0342 4.0468 4.8198 4.8242 4.8686 4.8747 6.4617 6.4684 6.8696 6.8745 7.5676 7.6073 8.5385 8.5422 k =-0.0188 0.0270 0.0329 ( 5857 PWs) bands (ev): -7.0933 -7.0932 -5.9564 -5.9542 -5.9371 -5.9371 -5.9033 -5.9009 -4.0598 -4.0558 -4.0450 -4.0438 -3.4582 -3.4526 -3.4441 -3.4392 -3.3733 -3.3695 -1.0955 -1.0923 -0.5172 -0.4981 1.2236 1.2718 1.4688 1.5721 1.6700 1.7849 1.9479 2.0342 2.0399 2.0917 2.8259 2.8593 3.0679 3.0714 4.0503 4.0584 4.8493 4.8525 4.8927 4.8959 6.4145 6.4190 6.8436 6.8469 7.5556 7.5821 8.5515 8.5540 k =-0.0094 0.0135 0.0165 ( 5849 PWs) bands (ev): -7.0957 -7.0957 -5.9557 -5.9546 -5.9357 -5.9356 -5.9013 -5.9001 -4.0581 -4.0559 -4.0448 -4.0442 -3.4561 -3.4533 -3.4429 -3.4405 -3.3715 -3.3696 -1.0968 -1.0952 -0.5159 -0.5063 1.2415 1.2671 1.4915 1.5454 1.6987 1.7585 1.9615 2.0098 2.0425 2.0719 2.8353 2.8521 3.0741 3.0757 4.0607 4.0647 4.8647 4.8664 4.9114 4.9126 6.3852 6.3875 6.8282 6.8298 7.5507 7.5640 8.5588 8.5607 k = 0.0000 0.0000 0.0000 ( 5839 PWs) bands (ev): -7.0965 -7.0965 -5.9551 -5.9551 -5.9352 -5.9352 -5.9002 -5.9002 -4.0567 -4.0567 -4.0445 -4.0445 -3.4544 -3.4544 -3.4417 -3.4417 -3.3702 -3.3702 -1.0966 -1.0966 -0.5122 -0.5122 1.2564 1.2564 1.5179 1.5179 1.7288 1.7288 1.9829 1.9829 2.0553 2.0553 2.8442 2.8442 3.0767 3.0767 4.0655 4.0655 4.8699 4.8699 4.9187 4.9187 6.3759 6.3759 6.8236 6.8236 7.5535 7.5535 8.5620 8.5620 k = 0.0000 0.0000 0.0000 ( 5839 PWs) bands (ev): -7.0965 -7.0965 -5.9551 -5.9551 -5.9352 -5.9352 -5.9002 -5.9002 -4.0567 -4.0567 -4.0445 -4.0445 -3.4544 -3.4544 -3.4417 -3.4417 -3.3702 -3.3702 -1.0966 -1.0966 -0.5122 -0.5122 1.2564 1.2564 1.5179 1.5179 1.7288 1.7288 1.9829 1.9829 2.0553 2.0553 2.8442 2.8442 3.0767 3.0767 4.0655 4.0655 4.8699 4.8699 4.9187 4.9187 6.3759 6.3759 6.8236 6.8236 7.5535 7.5535 8.5620 8.5620 k = 0.0192 0.0134-0.0000 ( 5851 PWs) bands (ev): -7.0956 -7.0956 -5.9561 -5.9561 -5.9352 -5.9352 -5.9004 -5.9004 -4.0570 -4.0570 -4.0447 -4.0447 -3.4548 -3.4548 -3.4418 -3.4418 -3.3705 -3.3705 -1.0939 -1.0939 -0.5130 -0.5130 1.2579 1.2579 1.5189 1.5189 1.7299 1.7299 1.9655 1.9655 2.0752 2.0752 2.8449 2.8449 3.0774 3.0774 4.0621 4.0621 4.8614 4.8614 4.9160 4.9160 6.3851 6.3851 6.8263 6.8263 7.5533 7.5533 8.5513 8.5513 k = 0.0385 0.0268-0.0000 ( 5851 PWs) bands (ev): -7.0930 -7.0930 -5.9594 -5.9594 -5.9352 -5.9352 -5.9010 -5.9010 -4.0577 -4.0577 -4.0452 -4.0452 -3.4560 -3.4560 -3.4421 -3.4421 -3.3714 -3.3714 -1.0857 -1.0857 -0.5153 -0.5153 1.2621 1.2621 1.5218 1.5218 1.7331 1.7331 1.9344 1.9344 2.1137 2.1137 2.8473 2.8473 3.0794 3.0794 4.0518 4.0518 4.8366 4.8366 4.9080 4.9080 6.4118 6.4118 6.8343 6.8343 7.5526 7.5526 8.5199 8.5199 k = 0.0577 0.0402-0.0000 ( 5855 PWs) bands (ev): -7.0888 -7.0888 -5.9648 -5.9648 -5.9352 -5.9352 -5.9017 -5.9017 -4.0590 -4.0590 -4.0459 -4.0459 -3.4581 -3.4581 -3.4425 -3.4425 -3.3728 -3.3728 -1.0724 -1.0724 -0.5188 -0.5188 1.2687 1.2687 1.5269 1.5269 1.7382 1.7382 1.9035 1.9035 2.1576 2.1576 2.8512 2.8512 3.0827 3.0827 4.0347 4.0347 4.7978 4.7978 4.8947 4.8947 6.4535 6.4535 6.8479 6.8479 7.5511 7.5511 8.4701 8.4701 k = 0.0769 0.0536-0.0000 ( 5847 PWs) bands (ev): -7.0828 -7.0828 -5.9726 -5.9726 -5.9352 -5.9352 -5.9026 -5.9026 -4.0609 -4.0609 -4.0467 -4.0467 -3.4609 -3.4609 -3.4431 -3.4431 -3.3747 -3.3747 -1.0541 -1.0541 -0.5234 -0.5234 1.2772 1.2772 1.5341 1.5341 1.7448 1.7448 1.8759 1.8759 2.2041 2.2041 2.8566 2.8566 3.0873 3.0873 4.0107 4.0107 4.7480 4.7480 4.8766 4.8766 6.5068 6.5068 6.8673 6.8673 7.5486 7.5486 8.4048 8.4048 k = 0.0962 0.0669-0.0000 ( 5855 PWs) bands (ev): -7.0751 -7.0751 -5.9828 -5.9828 -5.9352 -5.9352 -5.9034 -5.9034 -4.0633 -4.0633 -4.0477 -4.0477 -3.4644 -3.4644 -3.4438 -3.4438 -3.3769 -3.3769 -1.0314 -1.0314 -0.5287 -0.5287 1.2865 1.2865 1.5435 1.5435 1.7519 1.7519 1.8539 1.8540 2.2521 2.2521 2.8633 2.8633 3.0930 3.0930 3.9801 3.9801 4.6906 4.6906 4.8538 4.8538 6.5677 6.5677 6.8930 6.8930 7.5443 7.5443 8.3269 8.3269 k = 0.1154 0.0803-0.0000 ( 5863 PWs) bands (ev): -7.0658 -7.0658 -5.9954 -5.9954 -5.9353 -5.9353 -5.9043 -5.9043 -4.0664 -4.0664 -4.0487 -4.0487 -3.4687 -3.4687 -3.4446 -3.4446 -3.3794 -3.3794 -1.0050 -1.0050 -0.5340 -0.5340 1.2955 1.2955 1.5554 1.5554 1.7578 1.7579 1.8400 1.8400 2.3013 2.3013 2.8714 2.8714 3.0996 3.0996 3.9430 3.9430 4.6285 4.6285 4.8269 4.8269 6.6324 6.6324 6.9253 6.9253 7.5377 7.5377 8.2391 8.2392 k = 0.1346 0.0937-0.0000 ( 5867 PWs) bands (ev): -7.0548 -7.0548 -6.0103 -6.0103 -5.9353 -5.9353 -5.9050 -5.9050 -4.0700 -4.0700 -4.0498 -4.0498 -3.4735 -3.4735 -3.4456 -3.4456 -3.3820 -3.3820 -0.9758 -0.9758 -0.5387 -0.5387 1.3032 1.3032 1.5702 1.5702 1.7608 1.7608 1.8364 1.8364 2.3512 2.3512 2.8806 2.8806 3.1069 3.1069 3.8996 3.8996 4.5642 4.5642 4.7963 4.7963 6.6973 6.6973 6.9646 6.9646 7.5280 7.5280 8.1445 8.1445 k = 0.1538 0.1071-0.0000 ( 5887 PWs) bands (ev): -7.0421 -7.0421 -6.0274 -6.0274 -5.9354 -5.9354 -5.9056 -5.9056 -4.0741 -4.0741 -4.0508 -4.0508 -3.4788 -3.4788 -3.4466 -3.4466 -3.3847 -3.3847 -0.9448 -0.9448 -0.5418 -0.5418 1.3082 1.3082 1.5879 1.5879 1.7610 1.7610 1.8433 1.8433 2.4014 2.4014 2.8908 2.8908 3.1148 3.1148 3.8506 3.8506 4.4998 4.4998 4.7625 4.7625 6.7596 6.7596 7.0106 7.0106 7.5146 7.5146 8.0453 8.0453 k = 0.1731 0.1205 0.0000 ( 5887 PWs) bands (ev): -7.0279 -7.0279 -6.0468 -6.0468 -5.9354 -5.9354 -5.9062 -5.9062 -4.0786 -4.0786 -4.0519 -4.0519 -3.4845 -3.4845 -3.4477 -3.4477 -3.3874 -3.3874 -0.9136 -0.9136 -0.5420 -0.5420 1.3099 1.3099 1.6086 1.6086 1.7616 1.7616 1.8577 1.8577 2.4518 2.4518 2.9017 2.9017 3.1228 3.1228 3.7965 3.7965 4.4370 4.4370 4.7262 4.7262 6.8177 6.8177 7.0617 7.0617 7.4973 7.4973 7.9436 7.9436 k = 0.1923 0.1339-0.0000 ( 5883 PWs) bands (ev): -7.0121 -7.0121 -6.0682 -6.0682 -5.9354 -5.9354 -5.9066 -5.9066 -4.0835 -4.0835 -4.0529 -4.0529 -3.4904 -3.4904 -3.4489 -3.4489 -3.3901 -3.3901 -0.8840 -0.8840 -0.5378 -0.5378 1.3078 1.3078 1.6322 1.6322 1.7650 1.7650 1.8769 1.8769 2.5020 2.5020 2.9133 2.9133 3.1305 3.1305 3.7385 3.7385 4.3767 4.3767 4.6878 4.6878 6.8711 6.8711 7.1147 7.1147 7.4766 7.4766 7.8414 7.8414 k = 0.2115 0.1473-0.0000 ( 5871 PWs) bands (ev): -6.9947 -6.9947 -6.0914 -6.0914 -5.9355 -5.9355 -5.9070 -5.9070 -4.0886 -4.0886 -4.0540 -4.0540 -3.4964 -3.4964 -3.4502 -3.4502 -3.3927 -3.3927 -0.8581 -0.8581 -0.5275 -0.5275 1.3022 1.3022 1.6579 1.6579 1.7723 1.7723 1.8994 1.8994 2.5517 2.5517 2.9251 2.9251 3.1374 3.1374 3.6779 3.6779 4.3198 4.3198 4.6480 4.6480 6.9202 6.9202 7.1642 7.1642 7.4542 7.4542 7.7400 7.7400 k = 0.2308 0.1607-0.0000 ( 5863 PWs) bands (ev): -6.9758 -6.9758 -6.1165 -6.1165 -5.9355 -5.9355 -5.9074 -5.9074 -4.0938 -4.0938 -4.0551 -4.0551 -3.5025 -3.5025 -3.4515 -3.4515 -3.3953 -3.3952 -0.8375 -0.8375 -0.5095 -0.5095 1.2937 1.2937 1.6849 1.6849 1.7838 1.7838 1.9242 1.9242 2.6005 2.6005 2.9370 2.9370 3.1428 3.1428 3.6163 3.6163 4.2666 4.2666 4.6074 4.6074 6.9646 6.9646 7.2030 7.2030 7.4338 7.4338 7.6410 7.6410 k = 0.2500 0.1741-0.0000 ( 5891 PWs) bands (ev): -6.9556 -6.9556 -6.1431 -6.1431 -5.9356 -5.9356 -5.9077 -5.9077 -4.0990 -4.0990 -4.0561 -4.0561 -3.5084 -3.5084 -3.4528 -3.4528 -3.3977 -3.3977 -0.8234 -0.8234 -0.4833 -0.4833 1.2829 1.2829 1.7118 1.7118 1.7995 1.7995 1.9507 1.9507 2.6481 2.6481 2.9485 2.9485 3.1457 3.1457 3.5557 3.5557 4.2176 4.2176 4.5665 4.5665 7.0029 7.0029 7.2228 7.2228 7.4188 7.4188 7.5464 7.5464 k = 0.2692 0.1874 0.0000 ( 5895 PWs) bands (ev): -6.9339 -6.9339 -6.1712 -6.1712 -5.9356 -5.9356 -5.9080 -5.9080 -4.1043 -4.1043 -4.0572 -4.0572 -3.5141 -3.5141 -3.4541 -3.4541 -3.4000 -3.4000 -0.8154 -0.8154 -0.4498 -0.4498 1.2707 1.2707 1.7375 1.7375 1.8191 1.8191 1.9784 1.9784 2.6940 2.6940 2.9593 2.9593 3.1452 3.1452 3.4984 3.4984 4.1728 4.1728 4.5261 4.5261 7.0317 7.0317 7.2203 7.2203 7.4001 7.4001 7.4614 7.4614 k = 0.2885 0.2008 0.0000 ( 5895 PWs) bands (ev): -6.9108 -6.9108 -6.2006 -6.2006 -5.9357 -5.9357 -5.9082 -5.9082 -4.1094 -4.1094 -4.0582 -4.0582 -3.5195 -3.5195 -3.4553 -3.4553 -3.4021 -3.4021 -0.8123 -0.8123 -0.4104 -0.4104 1.2578 1.2578 1.7609 1.7609 1.8423 1.8423 2.0069 2.0069 2.7380 2.7380 2.9689 2.9689 3.1400 3.1400 3.4468 3.4468 4.1324 4.1324 4.4866 4.4866 7.0453 7.0453 7.2012 7.2012 7.3443 7.3443 7.3868 7.3868 k = 0.3077 0.2142-0.0000 ( 5891 PWs) bands (ev): -6.8865 -6.8865 -6.2312 -6.2312 -5.9357 -5.9357 -5.9084 -5.9084 -4.1143 -4.1143 -4.0592 -4.0592 -3.5246 -3.5246 -3.4566 -3.4566 -3.4042 -3.4042 -0.8128 -0.8128 -0.3672 -0.3672 1.2447 1.2447 1.7816 1.7816 1.8679 1.8679 2.0357 2.0357 2.7794 2.7794 2.9767 2.9767 3.1291 3.1291 3.4034 3.4034 4.0965 4.0965 4.4487 4.4487 7.0391 7.0391 7.1708 7.1708 7.2691 7.2691 7.3088 7.3088 k = 0.3269 0.2276 0.0000 ( 5862 PWs) bands (ev): -6.8610 -6.8610 -6.2626 -6.2626 -5.9357 -5.9357 -5.9086 -5.9086 -4.1189 -4.1189 -4.0601 -4.0601 -3.5292 -3.5292 -3.4578 -3.4578 -3.4060 -3.4060 -0.8157 -0.8157 -0.3220 -0.3220 1.2318 1.2318 1.7998 1.7998 1.8948 1.8948 2.0641 2.0641 2.8177 2.8177 2.9818 2.9818 3.1130 3.1130 3.3694 3.3694 4.0652 4.0652 4.4129 4.4129 7.0155 7.0155 7.1281 7.1281 7.1961 7.1962 7.2329 7.2329 k = 0.3462 0.2410-0.0000 ( 5850 PWs) bands (ev): -6.8344 -6.8344 -6.2948 -6.2948 -5.9358 -5.9358 -5.9087 -5.9087 -4.1232 -4.1232 -4.0610 -4.0610 -3.5335 -3.5335 -3.4589 -3.4589 -3.4077 -3.4077 -0.8199 -0.8199 -0.2766 -0.2766 1.2196 1.2196 1.8154 1.8154 1.9216 1.9216 2.0915 2.0915 2.8522 2.8522 2.9826 2.9826 3.0949 3.0949 3.3446 3.3446 4.0385 4.0385 4.3796 4.3796 6.9813 6.9813 7.0751 7.0751 7.1289 7.1289 7.1624 7.1624 k = 0.3654 0.2544-0.0000 ( 5858 PWs) bands (ev): -6.8068 -6.8068 -6.3276 -6.3276 -5.9358 -5.9358 -5.9089 -5.9089 -4.1271 -4.1271 -4.0617 -4.0617 -3.5373 -3.5373 -3.4599 -3.4599 -3.4093 -3.4093 -0.8248 -0.8248 -0.2325 -0.2325 1.2083 1.2083 1.8286 1.8286 1.9473 1.9473 2.1174 2.1174 2.8819 2.8819 2.9774 2.9774 3.0798 3.0798 3.3268 3.3268 4.0161 4.0161 4.3493 4.3493 6.9428 6.9428 7.0184 7.0184 7.0675 7.0675 7.0985 7.0985 k = 0.3846 0.2678-0.0000 ( 5870 PWs) bands (ev): -6.7784 -6.7784 -6.3607 -6.3607 -5.9359 -5.9359 -5.9090 -5.9090 -4.1306 -4.1306 -4.0625 -4.0625 -3.5406 -3.5406 -3.4608 -3.4608 -3.4106 -3.4106 -0.8297 -0.8297 -0.1910 -0.1910 1.1982 1.1982 1.8393 1.8393 1.9711 1.9711 2.1412 2.1412 2.9055 2.9055 2.9661 2.9661 3.0719 3.0719 3.3140 3.3140 3.9980 3.9980 4.3225 4.3225 6.9040 6.9040 6.9634 6.9634 7.0131 7.0131 7.0420 7.0420 k = 0.4038 0.2812 0.0000 ( 5874 PWs) bands (ev): -6.7494 -6.7494 -6.3938 -6.3938 -5.9359 -5.9359 -5.9091 -5.9091 -4.1337 -4.1337 -4.0631 -4.0631 -3.5434 -3.5434 -3.4616 -3.4616 -3.4117 -3.4117 -0.8344 -0.8344 -0.1534 -0.1534 1.1893 1.1893 1.8477 1.8477 1.9923 1.9923 2.1623 2.1623 2.9196 2.9196 2.9543 2.9543 3.0713 3.0713 3.3043 3.3043 3.9837 3.9837 4.2993 4.2993 6.8674 6.8674 6.9130 6.9130 6.9669 6.9669 6.9930 6.9930 k = 0.4231 0.2946-0.0000 ( 5874 PWs) bands (ev): -6.7201 -6.7201 -6.4265 -6.4265 -5.9359 -5.9359 -5.9092 -5.9092 -4.1362 -4.1362 -4.0636 -4.0636 -3.5457 -3.5457 -3.4622 -3.4622 -3.4127 -3.4127 -0.8385 -0.8385 -0.1208 -0.1208 1.1819 1.1819 1.8538 1.8538 2.0105 2.0105 2.1801 2.1801 2.9174 2.9174 2.9528 2.9528 3.0756 3.0756 3.2966 3.2966 3.9729 3.9729 4.2801 4.2801 6.8353 6.8353 6.8692 6.8692 6.9296 6.9296 6.9518 6.9518 k = 0.4423 0.3079-0.0000 ( 5894 PWs) bands (ev): -6.6911 -6.6911 -6.4582 -6.4582 -5.9359 -5.9359 -5.9093 -5.9093 -4.1382 -4.1382 -4.0640 -4.0640 -3.5475 -3.5475 -3.4628 -3.4628 -3.4135 -3.4135 -0.8419 -0.8419 -0.0942 -0.0942 1.1761 1.1761 1.8580 1.8580 2.0250 2.0250 2.1945 2.1945 2.9063 2.9063 2.9575 2.9575 3.0822 3.0822 3.2904 3.2904 3.9651 3.9651 4.2651 4.2651 6.8093 6.8093 6.8332 6.8332 6.9014 6.9014 6.9188 6.9188 k = 0.4615 0.3213-0.0000 ( 5894 PWs) bands (ev): -6.6639 -6.6639 -6.4874 -6.4874 -5.9359 -5.9359 -5.9093 -5.9093 -4.1396 -4.1396 -4.0643 -4.0643 -3.5487 -3.5487 -3.4632 -3.4632 -3.4140 -3.4140 -0.8444 -0.8444 -0.0745 -0.0745 1.1718 1.1718 1.8607 1.8607 2.0357 2.0357 2.2049 2.2049 2.8964 2.8964 2.9612 2.9612 3.0886 3.0886 3.2858 3.2858 3.9599 3.9599 4.2543 4.2543 6.7907 6.7907 6.8059 6.8059 6.8821 6.8821 6.8942 6.8942 k = 0.4808 0.3347-0.0000 ( 5902 PWs) bands (ev): -6.6417 -6.6417 -6.5107 -6.5107 -5.9360 -5.9360 -5.9094 -5.9094 -4.1404 -4.1404 -4.0645 -4.0645 -3.5495 -3.5495 -3.4634 -3.4634 -3.4143 -3.4143 -0.8459 -0.8459 -0.0624 -0.0624 1.1693 1.1693 1.8621 1.8621 2.0422 2.0422 2.2112 2.2112 2.8901 2.8901 2.9632 2.9632 3.0933 3.0933 3.2829 3.2829 3.9569 3.9569 4.2478 4.2478 6.7805 6.7805 6.7879 6.7879 6.8717 6.8717 6.8783 6.8783 k = 0.5000 0.3481-0.0000 ( 5910 PWs) bands (ev): -6.6323 -6.6323 -6.5206 -6.5206 -5.9360 -5.9360 -5.9094 -5.9094 -4.1407 -4.1407 -4.0645 -4.0645 -3.5498 -3.5498 -3.4635 -3.4635 -3.4144 -3.4144 -0.8464 -0.8464 -0.0583 -0.0583 1.1684 1.1684 1.8625 1.8625 2.0444 2.0444 2.2134 2.2134 2.8879 2.8879 2.9637 2.9637 3.0949 3.0949 3.2819 3.2819 3.9559 3.9559 4.2456 4.2456 6.7794 6.7794 6.7796 6.7796 6.8693 6.8693 6.8720 6.8720 k = 0.5000 0.3481-0.0000 ( 5910 PWs) bands (ev): -6.6323 -6.6323 -6.5206 -6.5206 -5.9360 -5.9360 -5.9094 -5.9094 -4.1407 -4.1407 -4.0645 -4.0645 -3.5498 -3.5498 -3.4635 -3.4635 -3.4144 -3.4144 -0.8464 -0.8464 -0.0583 -0.0583 1.1684 1.1684 1.8625 1.8625 2.0444 2.0444 2.2134 2.2134 2.8879 2.8879 2.9637 2.9637 3.0949 3.0949 3.2819 3.2819 3.9559 3.9559 4.2456 4.2456 6.7794 6.7794 6.7796 6.7796 6.8693 6.8693 6.8720 6.8720 k = 0.4905 0.3617 0.0166 ( 5902 PWs) bands (ev): -6.6317 -6.6316 -6.5206 -6.5199 -5.9365 -5.9364 -5.9108 -5.9090 -4.1432 -4.1382 -4.0671 -4.0623 -3.5516 -3.5478 -3.4668 -3.4606 -3.4151 -3.4144 -0.8473 -0.8406 -0.0588 -0.0569 1.1575 1.1741 1.8558 1.8675 2.0373 2.0502 2.2099 2.2161 2.8572 2.8977 2.9641 2.9742 3.0820 3.1117 3.2578 3.3073 3.9488 3.9616 4.2437 4.2455 6.7594 6.7748 6.7861 6.7972 6.8599 6.8699 6.8839 6.8960 k = 0.4811 0.3753 0.0331 ( 5898 PWs) bands (ev): -6.6300 -6.6298 -6.5198 -6.5184 -5.9380 -5.9379 -5.9131 -5.9094 -4.1456 -4.1357 -4.0701 -4.0605 -3.5534 -3.5457 -3.4707 -3.4583 -3.4162 -3.4149 -0.8431 -0.8297 -0.0583 -0.0546 1.1418 1.1746 1.8473 1.8710 2.0297 2.0537 2.2053 2.2186 2.8174 2.8848 2.9663 2.9946 3.0737 3.1304 3.2358 3.3337 3.9400 3.9658 4.2397 4.2434 6.7397 6.7647 6.7997 6.8155 6.8702 6.8787 6.9077 6.9310 k = 0.4716 0.3889 0.0497 ( 5904 PWs) bands (ev): -6.6271 -6.6267 -6.5182 -6.5161 -5.9411 -5.9405 -5.9161 -5.9104 -4.1479 -4.1332 -4.0735 -4.0590 -3.5550 -3.5436 -3.4753 -3.4565 -3.4176 -3.4161 -0.8343 -0.8139 -0.0566 -0.0515 1.1214 1.1697 1.8364 1.8730 2.0228 2.0543 2.1995 2.2212 2.7736 2.8600 2.9641 3.0158 3.0699 3.1465 3.2203 3.3612 3.9294 3.9689 4.2340 4.2399 6.7228 6.7509 6.8216 6.8403 6.8941 6.8970 6.9409 6.9716 k = 0.4621 0.4025 0.0663 ( 5898 PWs) bands (ev): -6.6231 -6.6226 -6.5159 -6.5132 -5.9460 -5.9447 -5.9194 -5.9116 -4.1501 -4.1309 -4.0772 -4.0577 -3.5565 -3.5414 -3.4804 -3.4552 -3.4192 -3.4176 -0.8211 -0.7935 -0.0538 -0.0474 1.0967 1.1595 1.8229 1.8733 2.0175 2.0514 2.1924 2.2245 2.7278 2.8287 2.9574 3.0333 3.0687 3.1482 3.2224 3.3899 3.9167 3.9708 4.2270 4.2354 6.7097 6.7383 6.8520 6.8727 6.9230 6.9287 6.9808 7.0163 k = 0.4526 0.4161 0.0829 ( 5912 PWs) bands (ev): -6.6179 -6.6172 -6.5129 -6.5095 -5.9530 -5.9508 -5.9224 -5.9127 -4.1520 -4.1289 -4.0813 -4.0566 -3.5578 -3.5392 -3.4862 -3.4548 -3.4210 -3.4191 -0.8039 -0.7689 -0.0495 -0.0423 1.0682 1.1442 1.8063 1.8721 2.0146 2.0450 2.1838 2.2286 2.6810 2.7929 2.9474 3.0447 3.0689 3.1342 3.2431 3.4194 3.9017 3.9717 4.2192 4.2308 6.7011 6.7291 6.8900 6.9118 6.9583 6.9717 7.0257 7.0640 k = 0.4432 0.4297 0.0994 ( 5894 PWs) bands (ev): -6.6116 -6.6108 -6.5092 -6.5051 -5.9621 -5.9590 -5.9250 -5.9135 -4.1538 -4.1271 -4.0857 -4.0557 -3.5590 -3.5370 -3.4925 -3.4552 -3.4227 -3.4202 -0.7834 -0.7406 -0.0435 -0.0362 1.0362 1.1242 1.7866 1.8693 2.0139 2.0355 2.1740 2.2334 2.6339 2.7539 2.9351 3.0434 3.0745 3.1164 3.2708 3.4496 3.8841 3.9715 4.2113 4.2268 6.6971 6.7241 6.9345 6.9568 7.0017 7.0234 7.0749 7.1140 k = 0.4337 0.4433 0.1160 ( 5898 PWs) bands (ev): -6.6042 -6.6033 -6.5049 -6.5001 -5.9733 -5.9693 -5.9271 -5.9141 -4.1554 -4.1257 -4.0903 -4.0548 -3.5601 -3.5348 -3.4991 -3.4568 -3.4244 -3.4207 -0.7603 -0.7091 -0.0357 -0.0286 1.0011 1.0996 1.7641 1.8650 2.0123 2.0263 2.1631 2.2386 2.5871 2.7128 2.9207 3.0291 3.0841 3.1018 3.2995 3.4800 3.8639 3.9703 4.2040 4.2244 6.6979 6.7236 6.9838 7.0072 7.0532 7.0826 7.1285 7.1657 k = 0.4242 0.4569 0.1326 ( 5897 PWs) bands (ev): -6.5959 -6.5949 -6.4999 -6.4945 -5.9863 -5.9814 -5.9288 -5.9145 -4.1568 -4.1248 -4.0951 -4.0538 -3.5611 -3.5329 -3.5057 -3.4594 -3.4258 -3.4206 -0.7354 -0.6753 -0.0259 -0.0191 0.9633 1.0712 1.7391 1.8591 2.0011 2.0262 2.1515 2.2435 2.5408 2.6706 2.9038 3.0080 3.0818 3.1030 3.3268 3.5100 3.8412 3.9683 4.1981 4.2241 6.7036 6.7276 7.0365 7.0621 7.1126 7.1463 7.1883 7.2187 k = 0.4148 0.4705 0.1492 ( 5887 PWs) bands (ev): -6.5867 -6.5854 -6.4944 -6.4883 -6.0008 -5.9952 -5.9303 -5.9147 -4.1580 -4.1245 -4.0997 -4.0527 -3.5621 -3.5316 -3.5117 -3.4631 -3.4269 -3.4198 -0.7096 -0.6401 -0.0139 -0.0070 0.9233 1.0392 1.7124 1.8516 1.9838 2.0314 2.1396 2.2474 2.4955 2.6285 2.8835 2.9848 3.0696 3.1160 3.3510 3.5386 3.8166 3.9658 4.1942 4.2262 6.7138 6.7361 7.0914 7.1203 7.1798 7.2100 7.2575 7.2728 k = 0.4053 0.4841 0.1657 ( 5895 PWs) bands (ev): -6.5767 -6.5752 -6.4883 -6.4817 -6.0168 -6.0104 -5.9317 -5.9149 -4.1590 -4.1248 -4.1042 -4.0515 -3.5630 -3.5320 -3.5159 -3.4673 -3.4276 -3.4186 -0.6840 -0.6047 0.0003 0.0088 0.8814 1.0042 1.6844 1.8422 1.9645 2.0373 2.1283 2.2491 2.4515 2.5875 2.8589 2.9633 3.0567 3.1309 3.3711 3.5644 3.7914 3.9633 4.1926 4.2309 6.7286 6.7488 7.1475 7.1806 7.2540 7.2713 7.3280 7.3372 k = 0.3958 0.4977 0.1823 ( 5899 PWs) bands (ev): -6.5660 -6.5642 -6.4816 -6.4746 -6.0339 -6.0268 -5.9330 -5.9150 -4.1599 -4.1260 -4.1082 -4.0502 -3.5640 -3.5348 -3.5171 -3.4720 -3.4281 -3.4169 -0.6595 -0.5702 0.0171 0.0290 0.8380 0.9667 1.6558 1.8305 1.9445 2.0416 2.1189 2.2478 2.4090 2.5489 2.8300 2.9449 3.0441 3.1470 3.3864 3.5846 3.7684 3.9615 4.1935 4.2379 6.7475 6.7654 7.2035 7.2422 7.3288 7.3357 7.3857 7.4243 k = 0.3864 0.5113 0.1989 ( 5905 PWs) bands (ev): -6.5549 -6.5527 -6.4745 -6.4671 -6.0518 -6.0442 -5.9343 -5.9152 -4.1607 -4.1280 -4.1114 -4.0487 -3.5653 -3.5391 -3.5160 -3.4767 -3.4284 -3.4150 -0.6372 -0.5380 0.0376 0.0538 0.7936 0.9272 1.6271 1.8162 1.9247 2.0418 2.1134 2.2423 2.3684 2.5139 2.7978 2.9299 3.0329 3.1641 3.3965 3.5945 3.7527 3.9607 4.1967 4.2469 6.7702 6.7858 7.2585 7.3041 7.3862 7.4198 7.4463 7.5170 k = 0.3769 0.5249 0.2155 ( 5905 PWs) bands (ev): -6.5438 -6.5410 -6.4669 -6.4592 -6.0703 -6.0621 -5.9354 -5.9153 -4.1615 -4.1309 -4.1137 -4.0470 -3.5669 -3.5434 -3.5140 -3.4813 -3.4285 -3.4128 -0.6180 -0.5096 0.0626 0.0834 0.7487 0.8861 1.5985 1.7987 1.9059 2.0363 2.1127 2.2322 2.3297 2.4831 2.7642 2.9176 3.0241 3.1821 3.4014 3.5891 3.7495 3.9615 4.2019 4.2571 6.7963 6.8096 7.3117 7.3650 7.4408 7.5033 7.5142 7.6133 k = 0.3674 0.5385 0.2320 ( 5901 PWs) bands (ev): -6.5329 -6.5292 -6.4587 -6.4509 -6.0890 -6.0802 -5.9366 -5.9155 -4.1622 -4.1344 -4.1151 -4.0453 -3.5689 -3.5469 -3.5115 -3.4855 -3.4285 -3.4106 -0.6025 -0.4862 0.0926 0.1179 0.7036 0.8442 1.5705 1.7777 1.8889 2.0260 2.1151 2.2176 2.2933 2.4563 2.7309 2.9074 3.0186 3.2008 3.4016 3.5694 3.7585 3.9638 4.2087 4.2682 6.8251 6.8367 7.3629 7.4229 7.4942 7.5695 7.6027 7.7117 k = 0.3579 0.5522 0.2486 ( 5901 PWs) bands (ev): -6.5230 -6.5182 -6.4497 -6.4420 -6.1073 -6.0982 -5.9377 -5.9157 -4.1630 -4.1381 -4.1158 -4.0435 -3.5715 -3.5494 -3.5088 -3.4892 -3.4284 -3.4084 -0.5912 -0.4687 0.1278 0.1569 0.6590 0.8017 1.5432 1.7534 1.8739 2.0125 2.1179 2.1991 2.2600 2.4323 2.6996 2.8994 3.0170 3.2196 3.3983 3.5413 3.7743 3.9673 4.2165 4.2795 6.8558 6.8671 7.4122 7.4759 7.5469 7.6309 7.6955 7.8106 k = 0.3485 0.5658 0.2652 ( 5889 PWs) bands (ev): -6.5147 -6.5085 -6.4397 -6.4323 -6.1249 -6.1154 -5.9387 -5.9159 -4.1637 -4.1418 -4.1159 -4.0417 -3.5742 -3.5511 -3.5060 -3.4923 -3.4282 -3.4061 -0.5844 -0.4575 0.1675 0.1999 0.6159 0.7596 1.5166 1.7261 1.8608 1.9974 2.1189 2.1778 2.2309 2.4096 2.6718 2.8940 3.0193 3.2377 3.3926 3.5104 3.7926 3.9714 4.2249 4.2906 6.8876 6.9005 7.4596 7.5232 7.5986 7.6881 7.7889 7.9085 k = 0.3390 0.5794 0.2818 ( 5893 PWs) bands (ev): -6.5090 -6.5013 -6.4284 -6.4212 -6.1411 -6.1314 -5.9398 -5.9162 -4.1645 -4.1452 -4.1154 -4.0400 -3.5769 -3.5522 -3.5032 -3.4944 -3.4280 -3.4039 -0.5819 -0.4527 0.2098 0.2458 0.5759 0.7187 1.4909 1.6965 1.8495 1.9811 2.1163 2.1550 2.2067 2.3866 2.6487 2.8915 3.0252 3.2534 3.3860 3.4815 3.8108 3.9754 4.2333 4.3008 6.9200 6.9363 7.5051 7.5651 7.6473 7.7391 7.8814 8.0037 k = 0.3295 0.5930 0.2983 ( 5893 PWs) bands (ev): -6.5065 -6.4977 -6.4156 -6.4084 -6.1552 -6.1454 -5.9408 -5.9165 -4.1652 -4.1482 -4.1144 -4.0385 -3.5793 -3.5529 -3.5009 -3.4952 -3.4277 -3.4018 -0.5835 -0.4538 0.2507 0.2926 0.5423 0.6807 1.4660 1.6654 1.8395 1.9644 2.1089 2.1326 2.1872 2.3624 2.6312 2.8921 3.0341 3.2643 3.3791 3.4597 3.8274 3.9784 4.2412 4.3099 6.9527 6.9739 7.5488 7.6024 7.6910 7.7823 7.9715 8.0946 k = 0.3201 0.6066 0.3149 ( 5883 PWs) bands (ev): -6.5077 -6.4983 -6.4011 -6.3939 -6.1666 -6.1568 -5.9418 -5.9169 -4.1657 -4.1507 -4.1128 -4.0370 -3.5812 -3.5534 -3.4999 -3.4939 -3.4274 -3.3999 -0.5889 -0.4603 0.2826 0.3367 0.5221 0.6486 1.4418 1.6336 1.8305 1.9475 2.0961 2.1127 2.1718 2.3366 2.6197 2.8958 3.0455 3.2675 3.3714 3.4511 3.8417 3.9797 4.2483 4.3175 6.9855 7.0123 7.5906 7.6357 7.7280 7.8169 8.0580 8.1796 k = 0.3106 0.6202 0.3315 ( 5885 PWs) bands (ev): -6.5130 -6.5035 -6.3852 -6.3779 -6.1750 -6.1653 -5.9427 -5.9173 -4.1661 -4.1527 -4.1108 -4.0357 -3.5825 -3.5538 -3.4994 -3.4911 -3.4270 -3.3980 -0.5977 -0.4715 0.2944 0.3710 0.5262 0.6283 1.4183 1.6020 1.8217 1.9309 2.0789 2.0961 2.1597 2.3090 2.6140 2.9022 3.0586 3.2619 3.3644 3.4579 3.8530 3.9786 4.2541 4.3233 7.0179 7.0508 7.6304 7.6659 7.7579 7.8425 8.1395 8.2575 k = 0.3106 0.6202 0.3315 ( 5885 PWs) bands (ev): -6.5130 -6.5035 -6.3852 -6.3779 -6.1750 -6.1653 -5.9427 -5.9173 -4.1661 -4.1527 -4.1108 -4.0357 -3.5825 -3.5538 -3.4994 -3.4911 -3.4270 -3.3980 -0.5977 -0.4715 0.2944 0.3710 0.5262 0.6283 1.4183 1.6020 1.8217 1.9309 2.0789 2.0961 2.1597 2.3090 2.6140 2.9022 3.0586 3.2619 3.3644 3.4579 3.8530 3.9786 4.2541 4.3233 7.0179 7.0508 7.6304 7.6659 7.7579 7.8425 8.1395 8.2575 k = 0.2899 0.6144 0.3386 ( 5878 PWs) bands (ev): -6.5183 -6.5091 -6.3765 -6.3693 -6.1767 -6.1670 -5.9433 -5.9177 -4.1662 -4.1534 -4.1096 -4.0352 -3.5828 -3.5539 -3.4989 -3.4895 -3.4269 -3.3973 -0.6033 -0.4792 0.2897 0.3790 0.5389 0.6294 1.4061 1.5845 1.8180 1.9227 2.0605 2.1033 2.1561 2.3014 2.6135 2.9036 3.0644 3.2576 3.3639 3.4644 3.8522 3.9744 4.2594 4.3269 7.0340 7.0705 7.6466 7.6779 7.7679 7.8479 8.1772 8.2905 k = 0.2692 0.6086 0.3456 ( 5868 PWs) bands (ev): -6.5266 -6.5181 -6.3666 -6.3596 -6.1759 -6.1659 -5.9443 -5.9186 -4.1660 -4.1540 -4.1078 -4.0350 -3.5828 -3.5542 -3.4979 -3.4874 -3.4269 -3.3968 -0.6112 -0.4909 0.2811 0.3802 0.5588 0.6405 1.3897 1.5595 1.8135 1.9109 2.0430 2.1158 2.1547 2.3036 2.6146 2.9018 3.0700 3.2538 3.3669 3.4716 3.8425 3.9648 4.2691 4.3321 7.0547 7.0966 7.6622 7.6902 7.7765 7.8484 8.2219 8.3267 k = 0.2485 0.6028 0.3527 ( 5874 PWs) bands (ev): -6.5362 -6.5285 -6.3574 -6.3508 -6.1723 -6.1619 -5.9458 -5.9201 -4.1658 -4.1545 -4.1054 -4.0349 -3.5826 -3.5546 -3.4964 -3.4849 -3.4270 -3.3964 -0.6210 -0.5064 0.2732 0.3764 0.5830 0.6577 1.3699 1.5293 1.8065 1.8939 2.0339 2.1255 2.1578 2.3155 2.6173 2.8967 3.0754 3.2511 3.3733 3.4794 3.8261 3.9510 4.2802 4.3371 7.0801 7.1286 7.6767 7.7049 7.7841 7.8468 8.2721 8.3670 k = 0.2278 0.5970 0.3598 ( 5877 PWs) bands (ev): -6.5464 -6.5393 -6.3500 -6.3439 -6.1657 -6.1548 -5.9479 -5.9221 -4.1655 -4.1550 -4.1026 -4.0350 -3.5822 -3.5552 -3.4945 -3.4821 -3.4272 -3.3962 -0.6326 -0.5251 0.2682 0.3704 0.6093 0.6775 1.3478 1.4960 1.7950 1.8722 2.0327 2.1324 2.1666 2.3350 2.6216 2.8884 3.0808 3.2498 3.3824 3.4880 3.8051 3.9346 4.2899 4.3399 7.1102 7.1660 7.6902 7.7239 7.7907 7.8445 8.3273 8.4124 k = 0.2071 0.5912 0.3668 ( 5873 PWs) bands (ev): -6.5563 -6.5500 -6.3447 -6.3392 -6.1564 -6.1448 -5.9504 -5.9248 -4.1651 -4.1555 -4.0993 -4.0354 -3.5816 -3.5559 -3.4920 -3.4789 -3.4275 -3.3962 -0.6453 -0.5463 0.2668 0.3643 0.6360 0.6977 1.3244 1.4614 1.7784 1.8477 2.0370 2.1402 2.1789 2.3599 2.6271 2.8771 3.0864 3.2493 3.3939 3.4984 3.7813 3.9168 4.2957 4.3395 7.1447 7.2082 7.7041 7.7475 7.7959 7.8424 8.3873 8.4637 k = 0.1864 0.5854 0.3739 ( 5888 PWs) bands (ev): -6.5658 -6.5603 -6.3415 -6.3365 -6.1450 -6.1325 -5.9536 -5.9282 -4.1647 -4.1559 -4.0955 -4.0360 -3.5808 -3.5569 -3.4892 -3.4754 -3.4278 -3.3966 -0.6588 -0.5690 0.2688 0.3590 0.6620 0.7172 1.3009 1.4267 1.7577 1.8221 2.0445 2.1496 2.1942 2.3878 2.6334 2.8631 3.0926 3.2490 3.4072 3.5115 3.7559 3.8987 4.2960 4.3354 7.1837 7.2547 7.7192 7.7742 7.7998 7.8417 8.4518 8.5210 k = 0.1656 0.5796 0.3810 ( 5889 PWs) bands (ev): -6.5747 -6.5698 -6.3399 -6.3355 -6.1319 -6.1185 -5.9575 -5.9323 -4.1642 -4.1564 -4.0915 -4.0370 -3.5799 -3.5580 -3.4862 -3.4717 -3.4282 -3.3973 -0.6723 -0.5924 0.2737 0.3551 0.6865 0.7351 1.2783 1.3927 1.7347 1.7959 2.0541 2.1583 2.2140 2.4170 2.6398 2.8468 3.0997 3.2478 3.4219 3.5280 3.7301 3.8812 4.2900 4.3276 7.2269 7.3047 7.7351 7.7973 7.8060 7.8449 8.5205 8.5837 k = 0.1449 0.5737 0.3881 ( 5894 PWs) bands (ev): -6.5826 -6.5784 -6.3395 -6.3357 -6.1179 -6.1036 -5.9620 -5.9371 -4.1638 -4.1568 -4.0872 -4.0382 -3.5788 -3.5592 -3.4829 -3.4681 -3.4284 -3.3983 -0.6854 -0.6157 0.2809 0.3524 0.7090 0.7511 1.2575 1.3602 1.7117 1.7698 2.0651 2.1642 2.2389 2.4458 2.6455 2.8289 3.1082 3.2452 3.4375 3.5481 3.7048 3.8652 4.2778 4.3160 7.2737 7.3574 7.7500 7.8009 7.8241 7.8586 8.5922 8.6504 k = 0.1242 0.5679 0.3951 ( 5900 PWs) bands (ev): -6.5897 -6.5861 -6.3398 -6.3366 -6.1035 -6.0883 -5.9672 -5.9428 -4.1632 -4.1573 -4.0827 -4.0398 -3.5777 -3.5605 -3.4796 -3.4647 -3.4285 -3.3998 -0.6975 -0.6380 0.2896 0.3508 0.7294 0.7650 1.2392 1.3297 1.6903 1.7442 2.0768 2.1669 2.2681 2.4726 2.6499 2.8102 3.1180 3.2409 3.4535 3.5706 3.6814 3.8510 4.2608 4.3009 7.3234 7.4115 7.7608 7.8010 7.8376 7.8835 8.6658 8.7189 k = 0.1035 0.5621 0.4022 ( 5896 PWs) bands (ev): -6.5957 -6.5927 -6.3405 -6.3378 -6.0891 -6.0731 -5.9730 -5.9494 -4.1627 -4.1578 -4.0782 -4.0418 -3.5765 -3.5619 -3.4762 -3.4617 -3.4281 -3.4016 -0.7079 -0.6587 0.2992 0.3497 0.7472 0.7765 1.2242 1.3015 1.6719 1.7201 2.0888 2.1671 2.3001 2.4951 2.6531 2.7916 3.1291 3.2353 3.4693 3.5918 3.6634 3.8390 4.2410 4.2825 7.3750 7.4652 7.7657 7.7999 7.8521 7.9095 8.7390 8.7862 k = 0.0828 0.5563 0.4093 ( 5892 PWs) bands (ev): -6.6006 -6.5982 -6.3413 -6.3392 -6.0750 -6.0585 -5.9794 -5.9567 -4.1622 -4.1582 -4.0737 -4.0441 -3.5752 -3.5634 -3.4728 -3.4596 -3.4270 -3.4039 -0.7164 -0.6772 0.3088 0.3489 0.7624 0.7856 1.2128 1.2762 1.6571 1.6981 2.1006 2.1650 2.3338 2.5104 2.6564 2.7738 3.1412 3.2284 3.4844 3.5997 3.6626 3.8284 4.2209 4.2619 7.4269 7.5158 7.7660 7.7980 7.8687 7.9307 8.8082 8.8477 k = 0.0621 0.5505 0.4163 ( 5885 PWs) bands (ev): -6.6044 -6.6026 -6.3421 -6.3404 -6.0616 -6.0451 -5.9860 -5.9648 -4.1617 -4.1587 -4.0692 -4.0468 -3.5738 -3.5649 -3.4696 -3.4586 -3.4252 -3.4065 -0.7223 -0.6931 0.3180 0.3477 0.7749 0.7922 1.2054 1.2540 1.6467 1.6788 2.1120 2.1612 2.3682 2.5151 2.6627 2.7567 3.1540 3.2206 3.4985 3.5889 3.6834 3.8178 4.2034 4.2403 7.4771 7.5589 7.7644 7.7949 7.8856 7.9441 8.8680 8.8983 k = 0.0414 0.5447 0.4234 ( 5897 PWs) bands (ev): -6.6070 -6.6059 -6.3426 -6.3415 -6.0492 -6.0339 -5.9919 -5.9735 -4.1612 -4.1592 -4.0648 -4.0498 -3.5724 -3.5664 -3.4666 -3.4587 -3.4226 -3.4095 -0.7254 -0.7060 0.3262 0.3459 0.7847 0.7961 1.2025 1.2353 1.6407 1.6629 2.1226 2.1558 2.4022 2.5076 2.6738 2.7399 3.1669 3.2119 3.5120 3.5723 3.7119 3.8053 4.1913 4.2198 7.5230 7.5886 7.7642 7.7905 7.9019 7.9481 8.9127 8.9337 k = 0.0207 0.5389 0.4305 ( 5897 PWs) bands (ev): -6.6085 -6.6079 -6.3429 -6.3423 -6.0383 -6.0279 -5.9945 -5.9825 -4.1607 -4.1597 -4.0607 -4.0531 -3.5709 -3.5679 -3.4638 -3.4597 -3.4195 -3.4128 -0.7255 -0.7158 0.3332 0.3430 0.7917 0.7974 1.2040 1.2206 1.6395 1.6508 2.1325 2.1492 2.4348 2.4898 2.6888 2.7229 3.1795 3.2022 3.5255 3.5555 3.7408 3.7887 4.1868 4.2025 7.5614 7.5988 7.7684 7.7842 7.9176 7.9434 8.9403 8.9517 k = 0.0000 0.5331 0.4375 ( 5898 PWs) bands (ev): -6.6088 -6.6088 -6.3428 -6.3428 -6.0301 -6.0301 -5.9905 -5.9905 -4.1602 -4.1602 -4.0568 -4.0568 -3.5694 -3.5694 -3.4615 -3.4615 -3.4162 -3.4162 -0.7223 -0.7223 0.3388 0.3388 0.7959 0.7959 1.2101 1.2101 1.6429 1.6429 2.1413 2.1413 2.4646 2.4646 2.7057 2.7057 3.1913 3.1913 3.5399 3.5399 3.7670 3.7670 4.1908 4.1908 7.5884 7.5884 7.7761 7.7761 7.9322 7.9322 8.9530 8.9530 k = 0.0000 0.5331 0.4375 ( 5898 PWs) bands (ev): -6.6088 -6.6088 -6.3428 -6.3428 -6.0301 -6.0301 -5.9905 -5.9905 -4.1602 -4.1602 -4.0568 -4.0568 -3.5694 -3.5694 -3.4615 -3.4615 -3.4162 -3.4162 -0.7223 -0.7223 0.3388 0.3388 0.7959 0.7959 1.2101 1.2101 1.6429 1.6429 2.1413 2.1413 2.4646 2.4646 2.7057 2.7057 3.1913 3.1913 3.5399 3.5399 3.7670 3.7670 4.1908 4.1908 7.5884 7.5884 7.7761 7.7761 7.9322 7.9322 8.9530 8.9530 k = 0.0093 0.5198 0.4537 ( 5902 PWs) bands (ev): -6.6087 -6.6081 -6.3428 -6.3422 -6.0311 -6.0299 -5.9914 -5.9900 -4.1615 -4.1586 -4.0581 -4.0555 -3.5703 -3.5682 -3.4625 -3.4606 -3.4170 -3.4153 -0.7255 -0.7205 0.3302 0.3374 0.7871 0.7950 1.2044 1.2229 1.6356 1.6558 2.1340 2.1504 2.4617 2.4740 2.6972 2.7133 3.1749 3.2143 3.5364 3.5455 3.7596 3.7772 4.1889 4.1924 7.5787 7.5909 7.7716 7.7782 7.9283 7.9360 8.9434 8.9627 k = 0.0185 0.5065 0.4699 ( 5900 PWs) bands (ev): -6.6076 -6.6065 -6.3424 -6.3411 -6.0328 -6.0304 -5.9927 -5.9898 -4.1627 -4.1568 -4.0594 -4.0544 -3.5709 -3.5668 -3.4636 -3.4598 -3.4177 -3.4145 -0.7300 -0.7202 0.3122 0.3259 0.7692 0.7845 1.2057 1.2418 1.6340 1.6740 2.1280 2.1614 2.4652 2.4897 2.6892 2.7194 3.1656 3.2422 3.5352 3.5536 3.7552 3.7901 4.1865 4.1936 7.5622 7.5861 7.7651 7.7772 7.9248 7.9394 8.9339 8.9716 k = 0.0278 0.4932 0.4862 ( 5894 PWs) bands (ev): -6.6057 -6.6039 -6.3414 -6.3395 -6.0351 -6.0316 -5.9943 -5.9900 -4.1635 -4.1548 -4.0608 -4.0533 -3.5711 -3.5651 -3.4648 -3.4592 -3.4185 -3.4136 -0.7358 -0.7213 0.2859 0.3051 0.7429 0.7649 1.2130 1.2650 1.6380 1.6970 2.1231 2.1747 2.4745 2.5111 2.6836 2.7244 3.1633 3.2729 3.5359 3.5639 3.7540 3.8060 4.1839 4.1946 7.5398 7.5743 7.7568 7.7727 7.9225 7.9425 8.9236 8.9790 k = 0.0370 0.4799 0.5024 ( 5892 PWs) bands (ev): -6.6029 -6.6005 -6.3400 -6.3375 -6.0382 -6.0336 -5.9962 -5.9907 -4.1641 -4.1527 -4.0623 -4.0524 -3.5710 -3.5632 -3.4661 -3.4588 -3.4192 -3.4128 -0.7426 -0.7237 0.2530 0.2765 0.7094 0.7371 1.2245 1.2905 1.6474 1.7241 2.1193 2.1903 2.4891 2.5371 2.6823 2.7301 3.1669 3.3043 3.5382 3.5767 3.7567 3.8248 4.1812 4.1956 7.5124 7.5567 7.7466 7.7645 7.9217 7.9455 8.9108 8.9836 k = 0.0463 0.4666 0.5186 ( 5900 PWs) bands (ev): -6.5992 -6.5963 -6.3380 -6.3350 -6.0419 -6.0362 -5.9983 -5.9917 -4.1644 -4.1504 -4.0637 -4.0515 -3.5705 -3.5610 -3.4674 -3.4585 -3.4199 -3.4119 -0.7501 -0.7271 0.2150 0.2415 0.6697 0.7024 1.2382 1.3162 1.6616 1.7547 2.1169 2.2080 2.5083 2.5661 2.6869 2.7386 3.1747 3.3343 3.5416 3.5915 3.7639 3.8468 4.1787 4.1968 7.4811 7.5343 7.7343 7.7530 7.9225 7.9486 8.8930 8.9834 k = 0.0556 0.4533 0.5348 ( 5890 PWs) bands (ev): -6.5947 -6.5912 -6.3357 -6.3320 -6.0463 -6.0395 -6.0008 -5.9931 -4.1644 -4.1481 -4.0652 -4.0509 -3.5696 -3.5587 -3.4688 -3.4584 -3.4206 -3.4111 -0.7582 -0.7313 0.1732 0.2017 0.6250 0.6618 1.2522 1.3397 1.6803 1.7882 2.1166 2.2277 2.5314 2.5964 2.6988 2.7523 3.1849 3.3610 3.5455 3.6079 3.7767 3.8718 4.1768 4.1988 7.4470 7.5086 7.7195 7.7386 7.9246 7.9521 8.8680 8.9741 k = 0.0648 0.4400 0.5510 ( 5886 PWs) bands (ev): -6.5893 -6.5852 -6.3329 -6.3287 -6.0513 -6.0435 -6.0035 -5.9949 -4.1641 -4.1457 -4.0667 -4.0503 -3.5684 -3.5562 -3.4702 -3.4584 -3.4213 -3.4104 -0.7666 -0.7362 0.1288 0.1586 0.5761 0.6164 1.2647 1.3594 1.7031 1.8239 2.1191 2.2486 2.5581 2.6268 2.7183 2.7730 3.1962 3.3834 3.5494 3.6243 3.7961 3.8998 4.1761 4.2018 7.4113 7.4809 7.7022 7.7218 7.9277 7.9560 8.8347 8.9504 k = 0.0741 0.4267 0.5672 ( 5892 PWs) bands (ev): -6.5832 -6.5785 -6.3298 -6.3251 -6.0568 -6.0482 -6.0066 -5.9971 -4.1635 -4.1433 -4.0682 -4.0499 -3.5668 -3.5535 -3.4716 -3.4586 -3.4221 -3.4097 -0.7748 -0.7413 0.0830 0.1134 0.5241 0.5672 1.2746 1.3737 1.7299 1.8613 2.1250 2.2703 2.5878 2.6581 2.7442 2.8013 3.2075 3.4014 3.5528 3.6392 3.8223 3.9301 4.1772 4.2065 7.3749 7.4522 7.6824 7.7032 7.9310 7.9602 8.7944 8.9117 k = 0.0833 0.4134 0.5834 ( 5884 PWs) bands (ev): -6.5762 -6.5710 -6.3264 -6.3212 -6.0629 -6.0534 -6.0098 -5.9997 -4.1626 -4.1409 -4.0697 -4.0497 -3.5648 -3.5508 -3.4730 -3.4590 -3.4230 -3.4092 -0.7826 -0.7464 0.0364 0.0670 0.4697 0.5151 1.2808 1.3816 1.7603 1.9001 2.1350 2.2921 2.6203 2.6923 2.7742 2.8363 3.2183 3.4155 3.5554 3.6513 3.8549 3.9622 4.1807 4.2134 7.3387 7.4234 7.6602 7.6829 7.9339 7.9643 8.7498 8.8628 k = 0.0926 0.4001 0.5996 ( 5882 PWs) bands (ev): -6.5685 -6.5627 -6.3227 -6.3171 -6.0693 -6.0591 -6.0134 -6.0026 -4.1614 -4.1384 -4.0712 -4.0497 -3.5624 -3.5478 -3.4744 -3.4595 -3.4239 -3.4088 -0.7898 -0.7511 -0.0102 0.0204 0.4136 0.4609 1.2831 1.3827 1.7943 1.9400 2.1489 2.3138 2.6552 2.7311 2.8064 2.8762 3.2285 3.4267 3.5568 3.6596 3.8923 3.9953 4.1874 4.2232 7.3034 7.3952 7.6358 7.6611 7.9355 7.9679 8.7038 8.8091 k = 0.1019 0.3868 0.6158 ( 5880 PWs) bands (ev): -6.5601 -6.5537 -6.3189 -6.3130 -6.0761 -6.0652 -6.0173 -6.0060 -4.1599 -4.1360 -4.0727 -4.0499 -3.5597 -3.5448 -3.4758 -3.4601 -3.4250 -3.4085 -0.7959 -0.7553 -0.0562 -0.0259 0.3567 0.4053 1.2812 1.3774 1.8314 1.9808 2.1667 2.3352 2.6917 2.7748 2.8395 2.9189 3.2381 3.4362 3.5572 3.6640 3.9326 4.0284 4.1976 4.2364 7.2697 7.3683 7.6095 7.6377 7.9350 7.9700 8.6592 8.7548 k = 0.1111 0.3735 0.6320 ( 5888 PWs) bands (ev): -6.5509 -6.5440 -6.3151 -6.3088 -6.0831 -6.0717 -6.0214 -6.0096 -4.1582 -4.1336 -4.0742 -4.0503 -3.5567 -3.5417 -3.4771 -3.4608 -3.4262 -3.4085 -0.8008 -0.7585 -0.1014 -0.0713 0.2993 0.3490 1.2755 1.3665 1.8713 2.0224 2.1877 2.3564 2.7286 2.8227 2.8730 2.9624 3.2478 3.4451 3.5567 3.6645 3.9738 4.0609 4.2114 4.2535 7.2381 7.3428 7.5813 7.6130 7.9311 7.9696 8.6184 8.7030 k = 0.1204 0.3602 0.6482 ( 5884 PWs) bands (ev): -6.5412 -6.5337 -6.3113 -6.3049 -6.0901 -6.0785 -6.0259 -6.0136 -4.1563 -4.1312 -4.0756 -4.0509 -3.5534 -3.5385 -3.4783 -3.4616 -3.4275 -3.4086 -0.8042 -0.7606 -0.1452 -0.1155 0.2421 0.2925 1.2665 1.3511 1.9135 2.0642 2.2116 2.3776 2.7640 2.8728 2.9068 3.0053 3.2582 3.4544 3.5560 3.6614 4.0145 4.0925 4.2285 4.2746 7.2089 7.3192 7.5516 7.5871 7.9229 7.9651 8.5835 8.6563 k = 0.1296 0.3469 0.6644 ( 5890 PWs) bands (ev): -6.5308 -6.5227 -6.3078 -6.3012 -6.0971 -6.0853 -6.0306 -6.0180 -4.1543 -4.1287 -4.0770 -4.0517 -3.5498 -3.5352 -3.4794 -3.4624 -3.4290 -3.4090 -0.8059 -0.7613 -0.1876 -0.1580 0.1857 0.2363 1.2548 1.3325 1.9574 2.1057 2.2382 2.3992 2.7954 2.9214 2.9424 3.0463 3.2707 3.4640 3.5565 3.6553 4.0532 4.1232 4.2484 4.2991 7.1824 7.2974 7.5207 7.5601 7.9093 7.9551 8.5565 8.6171 k = 0.1389 0.3336 0.6806 ( 5894 PWs) bands (ev): -6.5199 -6.5113 -6.3047 -6.2981 -6.1037 -6.0920 -6.0356 -6.0226 -4.1522 -4.1263 -4.0783 -4.0528 -3.5461 -3.5319 -3.4804 -3.4632 -3.4307 -3.4097 -0.8058 -0.7603 -0.2282 -0.1986 0.1303 0.1810 1.2412 1.3116 2.0024 2.1461 2.2673 2.4214 2.8206 2.9610 2.9839 3.0843 3.2869 3.4732 3.5602 3.6474 4.0891 4.1531 4.2705 4.3260 7.1588 7.2773 7.4891 7.5326 7.8895 7.9382 8.5388 8.5875 k = 0.1481 0.3203 0.6968 ( 5892 PWs) bands (ev): -6.5084 -6.4993 -6.3023 -6.2957 -6.1098 -6.0984 -6.0408 -6.0276 -4.1500 -4.1238 -4.0796 -4.0541 -3.5423 -3.5285 -3.4813 -3.4639 -3.4326 -3.4106 -0.8036 -0.7577 -0.2670 -0.2373 0.0767 0.1269 1.2263 1.2895 2.0480 2.1845 2.2990 2.4445 2.8387 2.9911 3.0264 3.1193 3.3087 3.4812 3.5690 3.6393 4.1219 4.1820 4.2942 4.3537 7.1381 7.2587 7.4578 7.5049 7.8635 7.9136 8.5308 8.5689 k = 0.1574 0.3070 0.7130 ( 5894 PWs) bands (ev): -6.4965 -6.4869 -6.3007 -6.2942 -6.1152 -6.1043 -6.0463 -6.0329 -4.1478 -4.1213 -4.0808 -4.0556 -3.5384 -3.5251 -3.4819 -3.4646 -3.4347 -3.4118 -0.7992 -0.7531 -0.3039 -0.2739 0.0252 0.0747 1.2108 1.2671 2.0934 2.2203 2.3331 2.4687 2.8497 3.0132 3.0619 3.1520 3.3369 3.4879 3.5831 3.6338 4.1516 4.2094 4.3189 4.3809 7.1203 7.2411 7.4276 7.4780 7.8318 7.8816 8.5325 8.5616 k = 0.1667 0.2937 0.7292 ( 5892 PWs) bands (ev): -6.4842 -6.4741 -6.3004 -6.2938 -6.1196 -6.1094 -6.0521 -6.0384 -4.1457 -4.1187 -4.0819 -4.0574 -3.5346 -3.5217 -3.4823 -3.4652 -3.4370 -3.4133 -0.7927 -0.7467 -0.3388 -0.3084 -0.0236 0.0246 1.1953 1.2449 2.1381 2.2530 2.3691 2.4941 2.8547 3.0268 3.0866 3.1821 3.3706 3.4948 3.5997 3.6348 4.1786 4.2349 4.3436 4.4065 7.1052 7.2240 7.3999 7.4530 7.7953 7.8432 8.5426 8.5653 k = 0.1759 0.2804 0.7454 ( 5894 PWs) bands (ev): -6.4715 -6.4610 -6.3016 -6.2947 -6.1228 -6.1134 -6.0580 -6.0442 -4.1437 -4.1161 -4.0829 -4.0593 -3.5310 -3.5185 -3.4824 -3.4656 -3.4394 -3.4150 -0.7840 -0.7383 -0.3718 -0.3408 -0.0692 -0.0228 1.1804 1.2236 2.1812 2.2828 2.4063 2.5207 2.8549 3.0321 3.1001 3.2071 3.4077 3.5038 3.6157 3.6463 4.2030 4.2580 4.3676 4.4295 7.0926 7.2065 7.3760 7.4309 7.7555 7.8002 8.5598 8.5789 k = 0.1852 0.2672 0.7616 ( 5900 PWs) bands (ev): -6.4586 -6.4477 -6.3044 -6.2970 -6.1248 -6.1160 -6.0641 -6.0502 -4.1418 -4.1134 -4.0837 -4.0615 -3.5275 -3.5155 -3.4821 -3.4659 -3.4421 -3.4169 -0.7731 -0.7281 -0.4029 -0.3713 -0.1109 -0.0670 1.1665 1.2037 2.2219 2.3097 2.4436 2.5483 2.8514 3.0309 3.1035 3.2235 3.4446 3.5170 3.6330 3.6657 4.2249 4.2785 4.3902 4.4493 7.0820 7.1883 7.3571 7.4131 7.7136 7.7544 8.5824 8.6006 k = 0.1944 0.2539 0.7778 ( 5900 PWs) bands (ev): -6.4454 -6.4342 -6.3090 -6.3009 -6.1255 -6.1172 -6.0703 -6.0563 -4.1402 -4.1106 -4.0843 -4.0639 -3.5243 -3.5129 -3.4813 -3.4659 -3.4449 -3.4189 -0.7601 -0.7162 -0.4321 -0.4000 -0.1482 -0.1075 1.1540 1.1855 2.2595 2.3338 2.4803 2.5763 2.8452 3.0255 3.0991 3.2295 3.4773 3.5368 3.6544 3.6875 4.2444 4.2960 4.4108 4.4655 7.0732 7.1692 7.3443 7.4006 7.6709 7.7078 8.6090 8.6285 k = 0.2037 0.2406 0.7941 ( 5898 PWs) bands (ev): -6.4322 -6.4207 -6.3153 -6.3063 -6.1250 -6.1169 -6.0766 -6.0625 -4.1389 -4.1079 -4.0847 -4.0664 -3.5215 -3.5107 -3.4799 -3.4657 -3.4479 -3.4211 -0.7454 -0.7030 -0.4595 -0.4271 -0.1802 -0.1438 1.1433 1.1693 2.2931 2.3549 2.5160 2.6036 2.8371 3.0177 3.0897 3.2257 3.5031 3.5634 3.6788 3.7086 4.2614 4.3105 4.4289 4.4779 7.0658 7.1499 7.3379 7.3940 7.6283 7.6622 8.6384 8.6603 k = 0.2130 0.2273 0.8103 ( 5900 PWs) bands (ev): -6.4189 -6.4072 -6.3231 -6.3132 -6.1233 -6.1152 -6.0830 -6.0688 -4.1377 -4.1054 -4.0848 -4.0690 -3.5190 -3.5092 -3.4778 -3.4653 -3.4510 -3.4231 -0.7292 -0.6892 -0.4846 -0.4525 -0.2065 -0.1752 1.1345 1.1553 2.3221 2.3725 2.5503 2.6284 2.8278 3.0089 3.0785 3.2147 3.5233 3.5924 3.7035 3.7275 4.2759 4.3219 4.4445 4.4868 7.0598 7.1315 7.3381 7.3930 7.5870 7.6191 8.6693 8.6938 k = 0.2222 0.2140 0.8265 ( 5900 PWs) bands (ev): -6.4057 -6.3940 -6.3322 -6.3214 -6.1206 -6.1123 -6.0892 -6.0749 -4.1368 -4.1032 -4.0844 -4.0717 -3.5170 -3.5083 -3.4752 -3.4648 -3.4543 -3.4250 -0.7122 -0.6757 -0.5069 -0.4758 -0.2266 -0.2011 1.1279 1.1439 2.3459 2.3862 2.5825 2.6488 2.8178 3.0002 3.0682 3.2001 3.5393 3.6187 3.7258 3.7429 4.2878 4.3301 4.4572 4.4923 7.0552 7.1151 7.3445 7.3969 7.5486 7.5800 8.7005 8.7268 k = 0.2315 0.2007 0.8427 ( 5894 PWs) bands (ev): -6.3927 -6.3813 -6.3422 -6.3307 -6.1171 -6.1088 -6.0952 -6.0806 -4.1362 -4.1015 -4.0835 -4.0744 -3.5154 -3.5079 -3.4722 -3.4643 -3.4576 -3.4265 -0.6956 -0.6645 -0.5246 -0.4963 -0.2401 -0.2210 1.1236 1.1350 2.3641 2.3954 2.6114 2.6624 2.8084 2.9928 3.0609 3.1854 3.5513 3.6393 3.7435 3.7542 4.2968 4.3355 4.4671 4.4951 7.0521 7.1021 7.3560 7.4032 7.5160 7.5462 8.7306 8.7570 k = 0.2407 0.1874 0.8589 ( 5886 PWs) bands (ev): -6.3803 -6.3700 -6.3523 -6.3405 -6.1129 -6.1054 -6.1008 -6.0852 -4.1358 -4.1005 -4.0820 -4.0770 -3.5143 -3.5077 -3.4691 -3.4639 -3.4608 -3.4275 -0.6816 -0.6581 -0.5356 -0.5118 -0.2474 -0.2341 1.1215 1.1292 2.3760 2.4003 2.6343 2.6675 2.8013 2.9877 3.0570 3.1744 3.5587 3.6522 3.7552 3.7607 4.3025 4.3383 4.4736 4.4959 7.0505 7.0935 7.3699 7.4075 7.4947 7.5201 8.7586 8.7820 k = 0.2500 0.1741 0.8751 ( 5884 PWs) bands (ev): -6.3716 -6.3668 -6.3566 -6.3469 -6.1100 -6.1044 -6.1036 -6.0873 -4.1357 -4.1001 -4.0808 -4.0785 -3.5140 -3.5077 -3.4671 -3.4636 -3.4630 -3.4279 -0.6754 -0.6568 -0.5390 -0.5180 -0.2494 -0.2389 1.1211 1.1269 2.3802 2.4017 2.6448 2.6670 2.7986 2.9858 3.0559 3.1703 3.5613 3.6567 3.7597 3.7623 4.3045 4.3392 4.4760 4.4959 7.0500 7.0905 7.3777 7.4074 7.4887 7.5087 8.7813 8.7866 k = 0.2500 0.1741 0.8751 ( 5884 PWs) bands (ev): -6.3716 -6.3668 -6.3566 -6.3469 -6.1100 -6.1044 -6.1036 -6.0873 -4.1357 -4.1001 -4.0808 -4.0785 -3.5140 -3.5077 -3.4671 -3.4636 -3.4630 -3.4279 -0.6754 -0.6568 -0.5390 -0.5180 -0.2494 -0.2389 1.1211 1.1269 2.3802 2.4017 2.6448 2.6670 2.7986 2.9858 3.0559 3.1703 3.5613 3.6567 3.7597 3.7623 4.3045 4.3392 4.4760 4.4959 7.0500 7.0905 7.3777 7.4074 7.4887 7.5087 8.7813 8.7866 k = 0.2656 0.1849 0.8618 ( 5897 PWs) bands (ev): -6.3752 -6.3671 -6.3554 -6.3446 -6.1112 -6.1044 -6.1028 -6.0867 -4.1357 -4.1003 -4.0814 -4.0779 -3.5141 -3.5078 -3.4679 -3.4638 -3.4620 -3.4278 -0.6794 -0.6592 -0.5379 -0.5163 -0.2458 -0.2345 1.1232 1.1295 2.3691 2.3899 2.6425 2.6714 2.8019 2.9651 3.0789 3.1760 3.5612 3.6538 3.7612 3.7645 4.3043 4.3393 4.4759 4.4966 7.0400 7.0799 7.3753 7.4014 7.5017 7.5186 8.7721 8.7924 k = 0.2812 0.1958 0.8486 ( 5907 PWs) bands (ev): -6.3805 -6.3708 -6.3514 -6.3406 -6.1132 -6.1057 -6.1004 -6.0852 -4.1356 -4.1010 -4.0823 -4.0767 -3.5145 -3.5080 -3.4694 -3.4639 -3.4599 -3.4277 -0.6902 -0.6661 -0.5342 -0.5112 -0.2355 -0.2228 1.1295 1.1368 2.3398 2.3590 2.6346 2.6772 2.8108 2.9325 3.1185 3.1928 3.5612 3.6465 3.7639 3.7723 4.3039 4.3392 4.4760 4.4983 7.0107 7.0495 7.3703 7.3884 7.5356 7.5459 8.7643 8.7903 k = 0.2969 0.2067 0.8353 ( 5914 PWs) bands (ev): -6.3855 -6.3755 -6.3469 -6.3370 -6.1151 -6.1073 -6.0977 -6.0834 -4.1354 -4.1019 -4.0834 -4.0752 -3.5151 -3.5084 -3.4712 -3.4641 -3.4576 -3.4275 -0.7041 -0.6764 -0.5280 -0.5039 -0.2198 -0.2058 1.1401 1.1484 2.2990 2.3170 2.6150 2.6751 2.8246 2.9097 3.1562 3.2179 3.5615 3.6363 3.7689 3.7841 4.3035 4.3388 4.4766 4.5007 6.9667 7.0046 7.3622 7.3751 7.5773 7.5907 8.7596 8.7890 k = 0.3125 0.2176 0.8221 ( 5909 PWs) bands (ev): -6.3898 -6.3800 -6.3429 -6.3341 -6.1167 -6.1090 -6.0953 -6.0817 -4.1352 -4.1032 -4.0845 -4.0738 -3.5159 -3.5088 -3.4730 -3.4644 -3.4552 -3.4274 -0.7181 -0.6879 -0.5201 -0.4959 -0.2001 -0.1849 1.1547 1.1638 2.2519 2.2697 2.5832 2.6564 2.8427 2.9045 3.1873 3.2457 3.5622 3.6248 3.7775 3.7985 4.3031 4.3377 4.4783 4.5034 6.9145 6.9511 7.3508 7.3625 7.6240 7.6476 8.7570 8.7889 k = 0.3281 0.2284 0.8088 ( 5903 PWs) bands (ev): -6.3934 -6.3838 -6.3394 -6.3319 -6.1180 -6.1106 -6.0931 -6.0802 -4.1349 -4.1047 -4.0859 -4.0723 -3.5169 -3.5092 -3.4748 -3.4648 -3.4529 -3.4273 -0.7303 -0.6986 -0.5114 -0.4881 -0.1775 -0.1614 1.1731 1.1825 2.2025 2.2208 2.5422 2.6215 2.8644 2.9146 3.2099 3.2700 3.5630 3.6129 3.7902 3.8147 4.3026 4.3357 4.4810 4.5063 6.8594 6.8937 7.3376 7.3494 7.6758 7.7106 8.7554 8.7891 k = 0.3438 0.2393 0.7955 ( 5903 PWs) bands (ev): -6.3963 -6.3870 -6.3367 -6.3306 -6.1190 -6.1120 -6.0915 -6.0792 -4.1345 -4.1063 -4.0873 -4.0709 -3.5180 -3.5097 -3.4766 -3.4654 -3.4509 -3.4273 -0.7392 -0.7066 -0.5025 -0.4809 -0.1534 -0.1362 1.1946 1.2041 2.1534 2.1725 2.4953 2.5769 2.8880 2.9334 3.2232 3.2869 3.5632 3.6016 3.8068 3.8315 4.3017 4.3327 4.4848 4.5089 6.8058 6.8367 7.3239 7.3354 7.7312 7.7774 8.7537 8.7889 k = 0.3594 0.2502 0.7823 ( 5903 PWs) bands (ev): -6.3982 -6.3893 -6.3347 -6.3300 -6.1197 -6.1133 -6.0903 -6.0787 -4.1342 -4.1080 -4.0890 -4.0696 -3.5192 -3.5102 -3.4784 -3.4661 -3.4494 -3.4274 -0.7440 -0.7110 -0.4940 -0.4746 -0.1287 -0.1103 1.2189 1.2278 2.1063 2.1263 2.4451 2.5282 2.9114 2.9564 3.2268 3.2947 3.5616 3.5921 3.8257 3.8479 4.3003 4.3289 4.4892 4.5111 6.7569 6.7833 7.3102 7.3211 7.7890 7.8464 8.7506 8.7875 k = 0.3750 0.2611 0.7690 ( 5899 PWs) bands (ev): -6.3993 -6.3908 -6.3336 -6.3303 -6.1202 -6.1143 -6.0895 -6.0786 -4.1338 -4.1098 -4.0909 -4.0684 -3.5204 -3.5107 -3.4802 -3.4669 -3.4482 -3.4276 -0.7439 -0.7110 -0.4859 -0.4690 -0.1044 -0.0846 1.2450 1.2531 2.0629 2.0837 2.3936 2.4790 2.9330 2.9809 3.2213 3.2935 3.5573 3.5852 3.8445 3.8632 4.2978 4.3244 4.4932 4.5122 6.7154 6.7366 7.2972 7.3072 7.8483 7.9169 8.7454 8.7843 k = 0.3906 0.2720 0.7558 ( 5905 PWs) bands (ev): -6.3995 -6.3914 -6.3334 -6.3313 -6.1205 -6.1152 -6.0892 -6.0789 -4.1335 -4.1116 -4.0930 -4.0673 -3.5218 -3.5113 -3.4820 -3.4678 -3.4476 -3.4279 -0.7388 -0.7060 -0.4785 -0.4641 -0.0812 -0.0599 1.2721 1.2791 2.0241 2.0456 2.3425 2.4316 2.9521 3.0053 3.2078 3.2841 3.5501 3.5806 3.8600 3.8774 4.2936 4.3197 4.4954 4.5117 6.6828 6.6994 7.2854 7.2945 7.9082 7.9882 8.7372 8.7790 k = 0.4062 0.2828 0.7425 ( 5907 PWs) bands (ev): -6.3987 -6.3911 -6.3346 -6.3328 -6.1206 -6.1159 -6.0893 -6.0794 -4.1332 -4.1133 -4.0951 -4.0664 -3.5232 -3.5119 -3.4837 -3.4688 -3.4475 -3.4283 -0.7283 -0.6959 -0.4716 -0.4598 -0.0600 -0.0371 1.2988 1.3054 1.9910 2.0131 2.2933 2.3876 2.9680 3.0282 3.1877 3.2680 3.5412 3.5767 3.8699 3.8906 4.2873 4.3150 4.4941 4.5094 6.6595 6.6746 7.2753 7.2841 7.9680 8.0595 8.7256 8.7710 k = 0.4219 0.2937 0.7293 ( 5905 PWs) bands (ev): -6.3970 -6.3899 -6.3375 -6.3348 -6.1208 -6.1164 -6.0896 -6.0800 -4.1331 -4.1150 -4.0973 -4.0656 -3.5246 -3.5127 -3.4854 -3.4699 -3.4478 -3.4287 -0.7127 -0.6806 -0.4653 -0.4557 -0.0414 -0.0168 1.3234 1.3316 1.9640 1.9870 2.2474 2.3486 2.9802 3.0480 3.1628 3.2465 3.5313 3.5724 3.8744 3.9014 4.2788 4.3101 4.4877 4.5051 6.6453 6.6639 7.2676 7.2767 8.0270 8.1304 8.7104 8.7601 k = 0.4375 0.3046 0.7160 ( 5912 PWs) bands (ev): -6.3943 -6.3878 -6.3417 -6.3376 -6.1209 -6.1168 -6.0899 -6.0806 -4.1332 -4.1166 -4.0995 -4.0650 -3.5261 -3.5136 -3.4869 -3.4711 -3.4484 -3.4291 -0.6922 -0.6605 -0.4595 -0.4515 -0.0259 0.0005 1.3449 1.3567 1.9435 1.9677 2.2063 2.3159 2.9881 3.0624 3.1356 3.2211 3.5207 3.5671 3.8743 3.9087 4.2682 4.3046 4.4758 4.4984 6.6411 6.6665 7.2630 7.2731 8.0843 8.1998 8.6914 8.7460 k = 0.4531 0.3155 0.7028 ( 5902 PWs) bands (ev): -6.3907 -6.3848 -6.3472 -6.3416 -6.1212 -6.1170 -6.0901 -6.0810 -4.1336 -4.1181 -4.1014 -4.0645 -3.5275 -3.5148 -3.4884 -3.4723 -3.4492 -3.4296 -0.6674 -0.6359 -0.4540 -0.4464 -0.0138 0.0142 1.3628 1.3792 1.9293 1.9554 2.1712 2.2908 2.9907 3.0648 3.1119 3.1940 3.5096 3.5605 3.8702 3.9122 4.2555 4.2978 4.4595 4.4890 6.6472 6.6800 7.2626 7.2742 8.1385 8.2668 8.6683 8.7285 k = 0.4688 0.3264 0.6895 ( 5900 PWs) bands (ev): -6.3861 -6.3811 -6.3541 -6.3469 -6.1215 -6.1171 -6.0899 -6.0809 -4.1343 -4.1194 -4.1031 -4.0641 -3.5290 -3.5163 -3.4897 -3.4735 -3.4500 -3.4301 -0.6394 -0.6080 -0.4481 -0.4398 -0.0052 0.0242 1.3768 1.3979 1.9209 1.9497 2.1439 2.2746 2.9860 3.0478 3.0979 3.1690 3.4979 3.5525 3.8628 3.9117 4.2405 4.2891 4.4407 4.4775 6.6622 6.7019 7.2676 7.2805 8.1878 8.3295 8.6408 8.7080 k = 0.4844 0.3372 0.6762 ( 5900 PWs) bands (ev): -6.3808 -6.3774 -6.3622 -6.3529 -6.1217 -6.1171 -6.0894 -6.0804 -4.1355 -4.1206 -4.1044 -4.0638 -3.5305 -3.5181 -3.4908 -3.4746 -3.4508 -3.4306 -0.6100 -0.5784 -0.4403 -0.4305 0.0000 0.0305 1.3866 1.4118 1.9177 1.9496 2.1255 2.2680 2.9700 3.0229 3.0805 3.1516 3.4857 3.5434 3.8524 3.9074 4.2231 4.2773 4.4218 4.4653 6.6840 6.7292 7.2788 7.2926 8.2294 8.3847 8.6086 8.6846 k = 0.5000 0.3481 0.6630 ( 5890 PWs) bands (ev): -6.3771 -6.3762 -6.3693 -6.3574 -6.1216 -6.1169 -6.0884 -6.0793 -4.1370 -4.1217 -4.1051 -4.0636 -3.5321 -3.5201 -3.4919 -3.4755 -3.4514 -3.4310 -0.5822 -0.5502 -0.4281 -0.4163 0.0024 0.0335 1.3926 1.4206 1.9187 1.9537 2.1174 2.2712 2.9405 3.0010 3.0521 3.1413 3.4731 3.5335 3.8393 3.8991 4.2034 4.2617 4.4059 4.4539 6.7101 6.7586 7.2968 7.3110 8.2584 8.4261 8.5709 8.6503 k = 0.5000 0.3481 0.6630 ( 5890 PWs) bands (ev): -6.3771 -6.3762 -6.3693 -6.3574 -6.1216 -6.1169 -6.0884 -6.0793 -4.1370 -4.1217 -4.1051 -4.0636 -3.5321 -3.5201 -3.4919 -3.4755 -3.4514 -3.4310 -0.5822 -0.5502 -0.4281 -0.4163 0.0024 0.0335 1.3926 1.4206 1.9187 1.9537 2.1174 2.2712 2.9405 3.0010 3.0521 3.1413 3.4731 3.5335 3.8393 3.8991 4.2034 4.2617 4.4059 4.4539 6.7101 6.7586 7.2968 7.3110 8.2584 8.4261 8.5709 8.6503 k = 0.5000 0.3481 0.6393 ( 5894 PWs) bands (ev): -6.3813 -6.3792 -6.3737 -6.3611 -6.1207 -6.1158 -6.0859 -6.0765 -4.1398 -4.1237 -4.1059 -4.0635 -3.5350 -3.5239 -3.4932 -3.4768 -3.4524 -3.4318 -0.5356 -0.5034 -0.3996 -0.3833 0.0059 0.0367 1.4004 1.4320 1.9244 1.9640 2.1123 2.2855 2.8742 2.9657 2.9931 3.1253 3.4504 3.5150 3.8139 3.8805 4.1653 4.2282 4.3828 4.4357 6.7603 6.8125 7.3350 7.3487 8.2770 8.4536 8.4971 8.5624 k = 0.5000 0.3481 0.6156 ( 5892 PWs) bands (ev): -6.3870 -6.3829 -6.3789 -6.3655 -6.1185 -6.1134 -6.0828 -6.0733 -4.1426 -4.1257 -4.1065 -4.0634 -3.5383 -3.5275 -3.4941 -3.4779 -3.4535 -3.4326 -0.4889 -0.4578 -0.3699 -0.3479 0.0136 0.0415 1.4092 1.4445 1.9304 1.9751 2.1069 2.2996 2.8047 2.9241 2.9412 3.1095 3.4277 3.4966 3.7887 3.8612 4.1255 4.1917 4.3620 4.4181 6.8132 6.8684 7.3715 7.3845 8.2541 8.4068 8.4260 8.4832 k = 0.5000 0.3481 0.5920 ( 5904 PWs) bands (ev): -6.3941 -6.3882 -6.3846 -6.3704 -6.1151 -6.1098 -6.0790 -6.0694 -4.1450 -4.1278 -4.1070 -4.0635 -3.5416 -3.5309 -3.4947 -3.4790 -3.4545 -3.4335 -0.4443 -0.4157 -0.3396 -0.3108 0.0274 0.0495 1.4189 1.4581 1.9369 1.9868 2.1011 2.3130 2.7353 2.8638 2.9092 3.0941 3.4053 3.4782 3.7639 3.8413 4.0849 4.1535 4.3431 4.4010 6.8678 6.9253 7.4048 7.4168 8.1965 8.3140 8.3555 8.4077 k = 0.5000 0.3481 0.5683 ( 5908 PWs) bands (ev): -6.4025 -6.3961 -6.3898 -6.3757 -6.1105 -6.1050 -6.0746 -6.0650 -4.1472 -4.1298 -4.1075 -4.0635 -3.5449 -3.5341 -3.4953 -3.4801 -3.4553 -3.4342 -0.4047 -0.3795 -0.3085 -0.2736 0.0485 0.0640 1.4296 1.4729 1.9435 1.9989 2.0950 2.3249 2.6686 2.8014 2.8821 3.0796 3.3830 3.4603 3.7397 3.8206 4.0443 4.1152 4.3257 4.3845 6.9230 6.9818 7.4333 7.4439 8.1203 8.2127 8.2792 8.3279 k = 0.5000 0.3481 0.5446 ( 5898 PWs) bands (ev): -6.4120 -6.4060 -6.3951 -6.3815 -6.1047 -6.0989 -6.0694 -6.0598 -4.1489 -4.1317 -4.1079 -4.0636 -3.5477 -3.5371 -3.4958 -3.4811 -3.4558 -3.4348 -0.3726 -0.3524 -0.2765 -0.2380 0.0732 0.0933 1.4413 1.4890 1.9504 2.0113 2.0886 2.3340 2.6071 2.7403 2.8583 3.0662 3.3609 3.4430 3.7163 3.7991 4.0043 4.0781 4.3095 4.3685 6.9778 7.0365 7.4552 7.4645 8.0368 8.1101 8.2006 8.2446 k = 0.5000 0.3481 0.5209 ( 5894 PWs) bands (ev): -6.4227 -6.4172 -6.4009 -6.3877 -6.0978 -6.0917 -6.0635 -6.0540 -4.1503 -4.1335 -4.1083 -4.0635 -3.5499 -3.5400 -3.4965 -3.4819 -3.4559 -3.4353 -0.3511 -0.3348 -0.2439 -0.2054 0.1026 0.1392 1.4540 1.5066 1.9573 2.0234 2.0823 2.3380 2.5541 2.6819 2.8380 3.0542 3.3389 3.4263 3.6936 3.7768 3.9652 4.0436 4.2942 4.3529 7.0307 7.0875 7.4680 7.4778 7.9526 8.0091 8.1213 8.1597 k = 0.5000 0.3481 0.4972 ( 5894 PWs) bands (ev): -6.4342 -6.4294 -6.4071 -6.3944 -6.0900 -6.0836 -6.0569 -6.0474 -4.1514 -4.1348 -4.1086 -4.0634 -3.5513 -3.5428 -3.4975 -3.4824 -3.4557 -3.4357 -0.3443 -0.3234 -0.2120 -0.1765 0.1416 0.1969 1.4680 1.5257 1.9642 2.0342 2.0771 2.3335 2.5140 2.6274 2.8218 3.0435 3.3172 3.4102 3.6714 3.7542 3.9275 4.0128 4.2797 4.3379 7.0798 7.1326 7.4690 7.4837 7.8716 7.9116 8.0431 8.0747 k = 0.5000 0.3481 0.4736 ( 5896 PWs) bands (ev): -6.4465 -6.4424 -6.4139 -6.4015 -6.0814 -6.0747 -6.0497 -6.0402 -4.1524 -4.1356 -4.1090 -4.0632 -3.5520 -3.5455 -3.4988 -3.4825 -3.4551 -3.4358 -0.3502 -0.3187 -0.1822 -0.1509 0.1907 0.2631 1.4832 1.5465 1.9711 2.0404 2.0759 2.3180 2.4902 2.5776 2.8099 3.0343 3.2956 3.3948 3.6492 3.7320 3.8913 3.9865 4.2661 4.3234 7.1230 7.1686 7.4573 7.4816 7.7968 7.8192 7.9676 7.9914 k = 0.5000 0.3481 0.4499 ( 5884 PWs) bands (ev): -6.4593 -6.4560 -6.4210 -6.4090 -6.0721 -6.0653 -6.0419 -6.0323 -4.1533 -4.1357 -4.1094 -4.0629 -3.5519 -3.5481 -3.5006 -3.4819 -3.4543 -3.4358 -0.3649 -0.3225 -0.1548 -0.1279 0.2482 0.3350 1.4998 1.5691 1.9780 2.0385 2.0819 2.2937 2.4807 2.5339 2.8026 3.0265 3.2743 3.3799 3.6261 3.7112 3.8573 3.9652 4.2533 4.3095 7.1568 7.1923 7.4333 7.4704 7.7294 7.7350 7.8952 7.9129 k = 0.5000 0.3481 0.4262 ( 5884 PWs) bands (ev): -6.4726 -6.4699 -6.4284 -6.4169 -6.0623 -6.0556 -6.0337 -6.0239 -4.1543 -4.1349 -4.1099 -4.0625 -3.5511 -3.5504 -3.5028 -3.4807 -3.4531 -3.4356 -0.3861 -0.3347 -0.1304 -0.1070 0.3118 0.4105 1.5179 1.5937 1.9848 2.0304 2.0929 2.2668 2.4762 2.5013 2.7997 3.0201 3.2534 3.3655 3.6010 3.6927 3.8263 3.9490 4.2413 4.2963 7.1758 7.2017 7.3989 7.4499 7.6554 7.6756 7.8240 7.8448 k = 0.5000 0.3481 0.4025 ( 5888 PWs) bands (ev): -6.4860 -6.4840 -6.4361 -6.4250 -6.0521 -6.0457 -6.0251 -6.0150 -4.1554 -4.1332 -4.1104 -4.0620 -3.5528 -3.5491 -3.5052 -3.4791 -3.4518 -3.4353 -0.4121 -0.3542 -0.1091 -0.0882 0.3791 0.4875 1.5375 1.6204 1.9915 2.0193 2.1057 2.2419 2.4557 2.4971 2.8011 3.0150 3.2328 3.3513 3.5737 3.6765 3.7996 3.9376 4.2302 4.2838 7.1716 7.1988 7.3576 7.4194 7.5873 7.6284 7.7545 7.7900 k = 0.5000 0.3481 0.3789 ( 5892 PWs) bands (ev): -6.4996 -6.4981 -6.4438 -6.4333 -6.0416 -6.0357 -6.0162 -6.0058 -4.1564 -4.1307 -4.1110 -4.0614 -3.5548 -3.5466 -3.5077 -3.4769 -3.4503 -3.4347 -0.4420 -0.3796 -0.0910 -0.0717 0.4483 0.5646 1.5585 1.6490 1.9977 2.0070 2.1186 2.2216 2.4321 2.5068 2.8061 3.0111 3.2127 3.3374 3.5444 3.6609 3.7791 3.9307 4.2202 4.2721 7.1448 7.1814 7.3127 7.3790 7.5275 7.5862 7.6907 7.7462 k = 0.5000 0.3481 0.3552 ( 5898 PWs) bands (ev): -6.5131 -6.5121 -6.4516 -6.4416 -6.0311 -6.0257 -6.0071 -5.9962 -4.1574 -4.1275 -4.1118 -4.0608 -3.5566 -3.5434 -3.5103 -3.4744 -3.4487 -3.4340 -0.4747 -0.4098 -0.0761 -0.0578 0.5179 0.6405 1.5809 1.6793 1.9918 2.0061 2.1309 2.2067 2.4148 2.5211 2.8144 3.0085 3.1932 3.3235 3.5137 3.6438 3.7669 3.9276 4.2113 4.2614 7.1043 7.1469 7.2652 7.3305 7.4734 7.5432 7.6335 7.7069 k = 0.5000 0.3481 0.3315 ( 5894 PWs) bands (ev): -6.5263 -6.5257 -6.4593 -6.4499 -6.0206 -6.0160 -5.9980 -5.9866 -4.1582 -4.1237 -4.1127 -4.0601 -3.5580 -3.5396 -3.5128 -3.4716 -3.4469 -3.4332 -0.5096 -0.4437 -0.0643 -0.0466 0.5867 0.7139 1.6044 1.7109 1.9788 2.0128 2.1417 2.1974 2.4050 2.5388 2.8252 3.0071 3.1743 3.3098 3.4822 3.6239 3.7636 3.9278 4.2038 4.2517 7.0571 7.1006 7.2139 7.2765 7.4215 7.4964 7.5806 7.6603 k = 0.5000 0.3481 0.3078 ( 5872 PWs) bands (ev): -6.5392 -6.5390 -6.4668 -6.4580 -6.0102 -6.0064 -5.9888 -5.9770 -4.1588 -4.1195 -4.1137 -4.0593 -3.5592 -3.5354 -3.5151 -3.4686 -3.4449 -3.4322 -0.5457 -0.4803 -0.0555 -0.0383 0.6538 0.7837 1.6289 1.7431 1.9668 2.0197 2.1502 2.1935 2.4034 2.5598 2.8380 3.0071 3.1562 3.2961 3.4504 3.6017 3.7680 3.9308 4.1979 4.2431 7.0079 7.0492 7.1594 7.2195 7.3691 7.4459 7.5272 7.5991 k = 0.5000 0.3481 0.2841 ( 5884 PWs) bands (ev): -6.5517 -6.5516 -6.4742 -6.4660 -6.0003 -5.9972 -5.9798 -5.9676 -4.1590 -4.1150 -4.1148 -4.0586 -3.5600 -3.5313 -3.5167 -3.4656 -3.4429 -3.4310 -0.5824 -0.5186 -0.0495 -0.0327 0.7184 0.8491 1.6538 1.7748 1.9568 2.0266 2.1560 2.1943 2.4103 2.5839 2.8523 3.0084 3.1390 3.2825 3.4186 3.5781 3.7783 3.9358 4.1936 4.2358 6.9597 6.9975 7.1036 7.1618 7.3153 7.3932 7.4696 7.5279 k = 0.5000 0.3481 0.2605 ( 5888 PWs) bands (ev): -6.5637 -6.5634 -6.4812 -6.4736 -5.9907 -5.9884 -5.9709 -5.9586 -4.1590 -4.1163 -4.1101 -4.0580 -3.5606 -3.5286 -3.5165 -3.4626 -3.4406 -3.4296 -0.6191 -0.5578 -0.0458 -0.0296 0.7799 0.9093 1.6789 1.8047 1.9497 2.0333 2.1601 2.1980 2.4258 2.6113 2.8676 3.0111 3.1229 3.2691 3.3870 3.5539 3.7929 3.9421 4.1914 4.2300 6.9145 6.9481 7.0485 7.1055 7.2605 7.3394 7.4077 7.4529 k = 0.5000 0.3481 0.2368 ( 5890 PWs) bands (ev): -6.5750 -6.5746 -6.4878 -6.4809 -5.9818 -5.9800 -5.9623 -5.9500 -4.1586 -4.1179 -4.1051 -4.0574 -3.5608 -3.5285 -3.5134 -3.4599 -3.4382 -3.4281 -0.6549 -0.5970 -0.0442 -0.0287 0.8377 0.9637 1.7036 1.8308 1.9465 2.0396 2.1640 2.2027 2.4497 2.6415 2.8834 3.0150 3.1081 3.2558 3.3557 3.5297 3.8103 3.9489 4.1913 4.2258 6.8736 6.9029 6.9959 7.0522 7.2053 7.2853 7.3432 7.3779 k = 0.5000 0.3481 0.2131 ( 5880 PWs) bands (ev): -6.5854 -6.5849 -6.4939 -6.4877 -5.9734 -5.9722 -5.9540 -5.9420 -4.1579 -4.1196 -4.1001 -4.0569 -3.5607 -3.5300 -3.5084 -3.4576 -3.4355 -3.4264 -0.6894 -0.6355 -0.0442 -0.0296 0.8916 1.0121 1.7276 1.8511 1.9483 2.0454 2.1683 2.2074 2.4814 2.6742 2.8994 3.0196 3.0952 3.2430 3.3247 3.5055 3.8292 3.9555 4.1935 4.2234 6.8379 6.8629 6.9473 7.0030 7.1504 7.2312 7.2784 7.3048 k = 0.5000 0.3481 0.1894 ( 5890 PWs) bands (ev): -6.5950 -6.5944 -6.4995 -6.4940 -5.9659 -5.9650 -5.9461 -5.9347 -4.1569 -4.1215 -4.0952 -4.0567 -3.5603 -3.5321 -3.5027 -3.4559 -3.4326 -3.4245 -0.7217 -0.6725 -0.0454 -0.0320 0.9413 1.0540 1.7503 1.8645 1.9556 2.0504 2.1732 2.2114 2.5200 2.7085 2.9153 3.0236 3.0853 3.2308 3.2940 3.4815 3.8486 3.9613 4.1978 4.2227 6.8079 6.8288 6.9036 6.9590 7.0965 7.1776 7.2148 7.2350 k = 0.5000 0.3481 0.1657 ( 5896 PWs) bands (ev): -6.6035 -6.6029 -6.5046 -6.4997 -5.9591 -5.9585 -5.9388 -5.9282 -4.1556 -4.1236 -4.0904 -4.0566 -3.5597 -3.5343 -3.4968 -3.4548 -3.4295 -3.4226 -0.7515 -0.7074 -0.0475 -0.0354 0.9864 1.0896 1.7716 1.8717 1.9672 2.0544 2.1787 2.2147 2.5642 2.7436 2.9309 3.0245 3.0801 3.2198 3.2636 3.4575 3.8676 3.9658 4.2039 4.2238 6.7840 6.8008 6.8658 6.9211 7.0442 7.1248 7.1538 7.1692 k = 0.5000 0.3481 0.1421 ( 5902 PWs) bands (ev): -6.6111 -6.6105 -6.5090 -6.5048 -5.9531 -5.9526 -5.9321 -5.9226 -4.1541 -4.1258 -4.0857 -4.0567 -3.5588 -3.5367 -3.4909 -3.4544 -3.4263 -3.4207 -0.7780 -0.7395 -0.0501 -0.0394 1.0270 1.1187 1.7909 1.8749 1.9807 2.0573 2.1844 2.2171 2.6125 2.7782 2.9460 3.0204 3.0801 3.2110 3.2339 3.4334 3.8856 3.9688 4.2113 4.2265 6.7665 6.7793 6.8346 6.8898 6.9943 7.0732 7.0964 7.1083 k = 0.5000 0.3481 0.1184 ( 5910 PWs) bands (ev): -6.6175 -6.6170 -6.5128 -6.5093 -5.9480 -5.9476 -5.9261 -5.9179 -4.1523 -4.1281 -4.0814 -4.0572 -3.5578 -3.5390 -3.4853 -3.4545 -3.4233 -3.4189 -0.8008 -0.7682 -0.0527 -0.0436 1.0628 1.1417 1.8083 1.8758 1.9942 2.0589 2.1902 2.2186 2.6633 2.8113 2.9603 3.0122 3.0821 3.2049 3.2067 3.4090 3.9020 3.9703 4.2192 4.2305 6.7554 6.7643 6.8107 6.8659 6.9476 7.0232 7.0431 7.0531 k = 0.5000 0.3481 0.0947 ( 5908 PWs) bands (ev): -6.6229 -6.6224 -6.5158 -6.5130 -5.9437 -5.9434 -5.9209 -5.9141 -4.1503 -4.1305 -4.0773 -4.0579 -3.5565 -3.5413 -3.4800 -3.4552 -3.4205 -3.4172 -0.8194 -0.7930 -0.0552 -0.0477 1.0939 1.1585 1.8234 1.8753 2.0068 2.0591 2.1958 2.2193 2.7150 2.8415 2.9728 3.0017 3.0816 3.1779 3.2088 3.3842 3.9166 3.9702 4.2270 4.2351 6.7506 6.7555 6.7946 6.8494 6.9049 6.9761 6.9942 7.0040 k = 0.5000 0.3481 0.0710 ( 5902 PWs) bands (ev): -6.6270 -6.6266 -6.5182 -6.5161 -5.9404 -5.9401 -5.9166 -5.9114 -4.1481 -4.1330 -4.0735 -4.0590 -3.5550 -3.5435 -3.4752 -3.4565 -3.4182 -3.4158 -0.8336 -0.8136 -0.0571 -0.0515 1.1200 1.1694 1.8364 1.8738 2.0181 2.0578 2.2010 2.2190 2.7658 2.8676 2.9809 2.9900 3.0779 3.1533 3.2190 3.3589 3.9292 3.9687 4.2340 4.2397 6.7511 6.7534 6.7860 6.8395 6.8681 6.9339 6.9506 6.9610 k = 0.5000 0.3481 0.0474 ( 5904 PWs) bands (ev): -6.6300 -6.6297 -6.5198 -6.5183 -5.9380 -5.9378 -5.9132 -5.9097 -4.1457 -4.1356 -4.0701 -4.0605 -3.5534 -3.5457 -3.4708 -3.4583 -3.4164 -3.4149 -0.8429 -0.8295 -0.0584 -0.0546 1.1412 1.1746 1.8471 1.8713 2.0282 2.0549 2.2058 2.2180 2.8138 2.8881 2.9771 2.9811 3.0762 3.1313 3.2360 3.3332 3.9399 3.9659 4.2397 4.2433 6.7550 6.7593 6.7838 6.8253 6.8490 6.8991 6.9137 6.9241 k = 0.5000 0.3481 0.0237 ( 5902 PWs) bands (ev): -6.6317 -6.6316 -6.5206 -6.5199 -5.9365 -5.9364 -5.9108 -5.9090 -4.1433 -4.1382 -4.0671 -4.0623 -3.5516 -3.5478 -3.4668 -3.4606 -3.4151 -3.4144 -0.8472 -0.8405 -0.0588 -0.0569 1.1574 1.1742 1.8557 1.8676 2.0370 2.0504 2.2099 2.2161 2.8564 2.8983 2.9660 2.9722 3.0821 3.1118 3.2577 3.3074 3.9487 3.9616 4.2436 4.2455 6.7642 6.7696 6.7838 6.8006 6.8542 6.8761 6.8857 6.8936 k = 0.5000 0.3481-0.0000 ( 5910 PWs) bands (ev): -6.6323 -6.6323 -6.5206 -6.5206 -5.9360 -5.9360 -5.9094 -5.9094 -4.1407 -4.1407 -4.0645 -4.0645 -3.5498 -3.5498 -3.4635 -3.4635 -3.4144 -3.4144 -0.8464 -0.8464 -0.0583 -0.0583 1.1684 1.1684 1.8625 1.8625 2.0444 2.0444 2.2134 2.2134 2.8879 2.8879 2.9637 2.9637 3.0949 3.0949 3.2819 3.2819 3.9559 3.9559 4.2456 4.2456 6.7794 6.7794 6.7796 6.7796 6.8693 6.8693 6.8720 6.8720 k = 0.0000 0.0000 0.8751 ( 5896 PWs) bands (ev): -6.3688 -6.3688 -6.3534 -6.3534 -6.1031 -6.1031 -6.0980 -6.0980 -4.1187 -4.1187 -4.0795 -4.0795 -3.5153 -3.5153 -3.4607 -3.4607 -3.4426 -3.4426 -0.8063 -0.8063 -0.5664 -0.5664 0.0157 0.0157 1.3650 1.3650 1.8998 1.8998 2.1678 2.1678 3.1821 3.1821 3.3328 3.3328 3.6247 3.6247 4.0022 4.0022 4.3836 4.3836 4.5831 4.5831 6.4826 6.4826 7.0843 7.0843 7.8264 7.8264 8.9777 8.9777 k = 0.0192 0.0134 0.8751 ( 5884 PWs) bands (ev): -6.3691 -6.3686 -6.3540 -6.3528 -6.1032 -6.1031 -6.0993 -6.0966 -4.1208 -4.1165 -4.0797 -4.0794 -3.5155 -3.5149 -3.4608 -3.4606 -3.4449 -3.4404 -0.8051 -0.8044 -0.5663 -0.5655 0.0114 0.0131 1.3603 1.3606 1.9016 1.9060 2.1701 2.1829 3.1767 3.1801 3.3317 3.3323 3.6226 3.6258 3.9969 4.0016 4.3793 4.3852 4.5794 4.5832 6.4872 6.4910 7.0878 7.0894 7.8241 7.8244 8.9741 8.9772 k = 0.0385 0.0268 0.8751 ( 5902 PWs) bands (ev): -6.3694 -6.3684 -6.3545 -6.3521 -6.1033 -6.1032 -6.1005 -6.0954 -4.1229 -4.1144 -4.0798 -4.0793 -3.5156 -3.5145 -3.4609 -3.4607 -3.4472 -3.4384 -0.8010 -0.7996 -0.5653 -0.5635 0.0004 0.0038 1.3471 1.3479 1.9126 1.9197 2.1895 2.2138 3.1640 3.1707 3.3287 3.3299 3.6195 3.6261 3.9857 3.9951 4.3728 4.3841 4.5723 4.5798 6.5045 6.5119 7.0994 7.1026 7.8173 7.8179 8.9667 8.9720 k = 0.0577 0.0402 0.8751 ( 5902 PWs) bands (ev): -6.3697 -6.3681 -6.3550 -6.3514 -6.1036 -6.1033 -6.1016 -6.0941 -4.1249 -4.1122 -4.0799 -4.0792 -3.5156 -3.5140 -3.4612 -3.4608 -3.4497 -3.4366 -0.7940 -0.7919 -0.5634 -0.5607 -0.0167 -0.0118 1.3267 1.3282 1.9335 1.9413 2.2234 2.2575 3.1441 3.1539 3.3237 3.3255 3.6152 3.6260 3.9689 3.9829 4.3646 4.3809 4.5626 4.5733 6.5339 6.5447 7.1188 7.1232 7.8059 7.8067 8.9558 8.9613 k = 0.0769 0.0536 0.8751 ( 5906 PWs) bands (ev): -6.3699 -6.3679 -6.3554 -6.3507 -6.1042 -6.1034 -6.1023 -6.0929 -4.1268 -4.1102 -4.0801 -4.0791 -3.5155 -3.5133 -3.4615 -3.4610 -3.4522 -3.4349 -0.7844 -0.7814 -0.5608 -0.5569 -0.0389 -0.0327 1.3011 1.3034 1.9643 1.9712 2.2685 2.3110 3.1173 3.1300 3.3164 3.3187 3.6100 3.6259 3.9470 3.9653 4.3554 4.3759 4.5509 4.5644 6.5741 6.5880 7.1448 7.1503 7.7895 7.7905 8.9415 8.9452 k = 0.0962 0.0669 0.8751 ( 5902 PWs) bands (ev): -6.3702 -6.3677 -6.3557 -6.3501 -6.1051 -6.1035 -6.1027 -6.0918 -4.1286 -4.1083 -4.0802 -4.0790 -3.5154 -3.5126 -3.4618 -3.4612 -3.4546 -3.4334 -0.7725 -0.7684 -0.5576 -0.5525 -0.0653 -0.0579 1.2726 1.2757 2.0044 2.0091 2.3215 2.3717 3.0841 3.0996 3.3063 3.3087 3.6039 3.6261 3.9211 3.9431 4.3459 4.3700 4.5383 4.5540 6.6238 6.6404 7.1763 7.1824 7.7678 7.7689 8.9238 8.9245 k = 0.1154 0.0803 0.8751 ( 5908 PWs) bands (ev): -6.3705 -6.3675 -6.3560 -6.3494 -6.1061 -6.1037 -6.1030 -6.0908 -4.1302 -4.1065 -4.0803 -4.0789 -3.5152 -3.5118 -3.4622 -3.4615 -3.4570 -3.4321 -0.7586 -0.7532 -0.5540 -0.5475 -0.0945 -0.0861 1.2431 1.2469 2.0523 2.0542 2.3793 2.4368 3.0449 3.0633 3.2933 3.2947 3.5973 3.6270 3.8924 3.9170 4.3369 4.3637 4.5255 4.5429 6.6810 6.7001 7.2116 7.2178 7.7405 7.7416 8.9008 8.9032 k = 0.1346 0.0937 0.8751 ( 5912 PWs) bands (ev): -6.3708 -6.3674 -6.3562 -6.3488 -6.1070 -6.1039 -6.1032 -6.0899 -4.1316 -4.1049 -4.0804 -4.0789 -3.5149 -3.5110 -3.4625 -3.4618 -3.4593 -3.4310 -0.7433 -0.7363 -0.5504 -0.5422 -0.1253 -0.1160 1.2144 1.2189 2.1053 2.1064 2.4391 2.5041 3.0008 3.0226 3.2757 3.2770 3.5902 3.6290 3.8630 3.8883 4.3286 4.3577 4.5133 4.5319 6.7439 6.7654 7.2489 7.2547 7.7077 7.7086 8.8759 8.8802 k = 0.1538 0.1071 0.8751 ( 5906 PWs) bands (ev): -6.3710 -6.3672 -6.3563 -6.3482 -6.1079 -6.1040 -6.1033 -6.0892 -4.1328 -4.1035 -4.0806 -4.0788 -3.5147 -3.5102 -3.4629 -3.4621 -3.4613 -3.4300 -0.7273 -0.7185 -0.5469 -0.5367 -0.1560 -0.1462 1.1880 1.1930 2.1607 2.1650 2.4983 2.5703 2.9532 2.9802 3.2507 3.2577 3.5830 3.6323 3.8348 3.8586 4.3214 4.3523 4.5024 4.5217 6.8102 6.8340 7.2862 7.2907 7.6697 7.6701 8.8515 8.8560 k = 0.1731 0.1205 0.8751 ( 5914 PWs) bands (ev): -6.3712 -6.3671 -6.3564 -6.3478 -6.1086 -6.1041 -6.1034 -6.0885 -4.1339 -4.1023 -4.0807 -4.0787 -3.5145 -3.5094 -3.4637 -3.4627 -3.4624 -3.4292 -0.7116 -0.7005 -0.5439 -0.5313 -0.1852 -0.1749 1.1650 1.1703 2.2182 2.2258 2.5535 2.6302 2.9045 2.9414 3.2187 3.2359 3.5762 3.6369 3.8097 3.8295 4.3153 4.3476 4.4931 4.5128 6.8770 6.9036 7.3216 7.3235 7.6272 7.6278 8.8295 8.8326 k = 0.1923 0.1339 0.8751 ( 5914 PWs) bands (ev): -6.3714 -6.3670 -6.3565 -6.3474 -6.1092 -6.1042 -6.1035 -6.0880 -4.1347 -4.1014 -4.0807 -4.0786 -3.5143 -3.5087 -3.4650 -3.4632 -3.4627 -3.4287 -0.6972 -0.6837 -0.5416 -0.5262 -0.2110 -0.2005 1.1463 1.1518 2.2749 2.2863 2.6001 2.6733 2.8588 2.9175 3.1797 3.2130 3.5701 3.6428 3.7892 3.8029 4.3106 4.3440 4.4857 4.5056 6.9407 6.9706 7.3504 7.3532 7.5821 7.5848 8.8112 8.8118 k = 0.2115 0.1473 0.8751 ( 5922 PWs) bands (ev): -6.3715 -6.3669 -6.3566 -6.3471 -6.1097 -6.1043 -6.1036 -6.0876 -4.1352 -4.1007 -4.0808 -4.0786 -3.5141 -3.5082 -3.4662 -3.4634 -3.4628 -3.4282 -0.6856 -0.6697 -0.5400 -0.5220 -0.2315 -0.2209 1.1324 1.1382 2.3265 2.3418 2.6317 2.6862 2.8227 2.9240 3.1344 3.1918 3.5653 3.6491 3.7743 3.7806 4.3072 4.3413 4.4803 4.5003 6.9960 7.0301 7.3686 7.3794 7.5386 7.5458 8.7954 8.7977 k = 0.2308 0.1607 0.8751 ( 5902 PWs) bands (ev): -6.3716 -6.3668 -6.3566 -6.3470 -6.1099 -6.1044 -6.1036 -6.0874 -4.1356 -4.1003 -4.0808 -4.0786 -3.5140 -3.5078 -3.4669 -3.4636 -3.4630 -3.4280 -0.6780 -0.6602 -0.5392 -0.5191 -0.2448 -0.2342 1.1240 1.1298 2.3652 2.3846 2.6438 2.6753 2.8034 2.9580 3.0865 3.1762 3.5623 3.6544 3.7653 3.7653 4.3052 4.3398 4.4771 4.4970 7.0354 7.0738 7.3765 7.3990 7.5036 7.5183 8.7849 8.7894 k = 0.2500 0.1741 0.8751 ( 5884 PWs) bands (ev): -6.3716 -6.3668 -6.3566 -6.3469 -6.1100 -6.1044 -6.1036 -6.0873 -4.1357 -4.1001 -4.0808 -4.0785 -3.5140 -3.5077 -3.4671 -3.4636 -3.4630 -3.4279 -0.6754 -0.6568 -0.5390 -0.5180 -0.2494 -0.2389 1.1211 1.1269 2.3802 2.4017 2.6448 2.6670 2.7986 2.9858 3.0559 3.1703 3.5613 3.6567 3.7597 3.7623 4.3045 4.3392 4.4760 4.4959 7.0500 7.0905 7.3777 7.4074 7.4887 7.5087 8.7813 8.7866 Writing output data file Al2CdTe4.save init_run : 3.28s CPU 10.29s WALL ( 1 calls) electrons : 1175.43s CPU 1207.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.55s CPU 2.04s WALL ( 1 calls) Called by electrons: c_bands : 1175.39s CPU 1207.52s WALL ( 1 calls) v_of_rho : 0.19s CPU 1.01s WALL ( 1 calls) v_h : 0.02s CPU 0.03s WALL ( 1 calls) v_xc : 0.16s CPU 0.59s WALL ( 1 calls) newd : 0.89s CPU 1.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 255 calls) cegterg : 1111.88s CPU 1139.67s WALL ( 879 calls) Called by sum_band: Called by *egterg: h_psi : 753.66s CPU 780.20s WALL ( 16197 calls) s_psi : 28.62s CPU 29.17s WALL ( 16197 calls) g_psi : 0.76s CPU 0.81s WALL ( 15063 calls) cdiaghg : 258.99s CPU 261.15s WALL ( 15318 calls) cegterg:over : 55.91s CPU 53.26s WALL ( 15063 calls) cegterg:upda : 12.49s CPU 17.68s WALL ( 15063 calls) cegterg:last : 10.28s CPU 11.36s WALL ( 1892 calls) Called by h_psi: h_psi:vloc : 677.65s CPU 699.65s WALL ( 16197 calls) h_psi:vnl : 75.53s CPU 79.50s WALL ( 16197 calls) add_vuspsi : 24.78s CPU 32.46s WALL ( 16197 calls) General routines calbec : 50.68s CPU 46.92s WALL ( 16197 calls) fft : 0.36s CPU 1.30s WALL ( 19 calls) ffts : 0.01s CPU 0.32s WALL ( 4 calls) fftw : 474.71s CPU 483.87s WALL ( 1073464 calls) interpolate : 0.07s CPU 0.38s WALL ( 4 calls) davcio : 0.04s CPU 1.79s WALL ( 510 calls) Parallel routines fft_scatter : 284.54s CPU 284.95s WALL ( 1073487 calls) PWSCF : 20m25.63s CPU 22m52.51s WALL This run was terminated on: 1:19:36 24Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=