Program PWSCF v.5.1.1 starts on 8Oct2015 at 17:13:26 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: ./AgNO2.save/ 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 36 21 6 776 334 54 Max 37 22 7 781 355 57 Sum 1773 1029 299 37377 16527 2653 bravais-lattice index = 14 lattice parameter (alat) = 8.3050 a.u. unit-cell volume = 379.7879 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.304960 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.677782 celldm(5)= -0.308052 celldm(6)= -0.014166 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.014166 0.999900 0.000000 ) a(3) = ( -0.308052 -0.682214 0.663089 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.014168 0.479147 ) b(2) = ( 0.000000 1.000100 1.028946 ) b(3) = ( 0.000000 0.000000 1.508092 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) Ag 11.00 107.86820 Ag( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 448 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 2) = ( -0.0055285 0.0054508 0.0113771), wk = 0.0022321 k( 3) = ( -0.0110571 0.0109015 0.0227542), wk = 0.0022321 k( 4) = ( -0.0165856 0.0163523 0.0341314), wk = 0.0022321 k( 5) = ( -0.0221141 0.0218031 0.0455085), wk = 0.0022321 k( 6) = ( -0.0276427 0.0272538 0.0568856), wk = 0.0022321 k( 7) = ( -0.0331712 0.0327046 0.0682627), wk = 0.0022321 k( 8) = ( -0.0386997 0.0381553 0.0796398), wk = 0.0022321 k( 9) = ( -0.0442283 0.0436061 0.0910170), wk = 0.0022321 k( 10) = ( -0.0497568 0.0490569 0.1023941), wk = 0.0022321 k( 11) = ( -0.0552853 0.0545076 0.1137712), wk = 0.0022321 k( 12) = ( -0.0608139 0.0599584 0.1251483), wk = 0.0022321 k( 13) = ( -0.0663424 0.0654091 0.1365255), wk = 0.0022321 k( 14) = ( -0.0718709 0.0708599 0.1479026), wk = 0.0022321 k( 15) = ( -0.0773995 0.0763107 0.1592797), wk = 0.0022321 k( 16) = ( -0.0829280 0.0817614 0.1706568), wk = 0.0022321 k( 17) = ( -0.0884565 0.0872122 0.1820339), wk = 0.0022321 k( 18) = ( -0.0939851 0.0926630 0.1934111), wk = 0.0022321 k( 19) = ( -0.0995136 0.0981137 0.2047882), wk = 0.0022321 k( 20) = ( -0.1050422 0.1035645 0.2161653), wk = 0.0022321 k( 21) = ( -0.1105707 0.1090152 0.2275424), wk = 0.0022321 k( 22) = ( -0.1160992 0.1144660 0.2389195), wk = 0.0022321 k( 23) = ( -0.1216278 0.1199168 0.2502967), wk = 0.0022321 k( 24) = ( -0.1271563 0.1253675 0.2616738), wk = 0.0022321 k( 25) = ( -0.1326848 0.1308183 0.2730509), wk = 0.0022321 k( 26) = ( -0.1382134 0.1362691 0.2844280), wk = 0.0022321 k( 27) = ( -0.1437419 0.1417198 0.2958052), wk = 0.0022321 k( 28) = ( -0.1492704 0.1471706 0.3071823), wk = 0.0022321 k( 29) = ( -0.1547989 0.1526213 0.3185594), wk = 0.0022321 k( 30) = ( -0.1603275 0.1580721 0.3299365), wk = 0.0022321 k( 31) = ( -0.1658560 0.1635229 0.3413136), wk = 0.0022321 k( 32) = ( -0.1713846 0.1689736 0.3526908), wk = 0.0022321 k( 33) = ( -0.1769131 0.1744244 0.3640679), wk = 0.0022321 k( 34) = ( -0.1824416 0.1798752 0.3754450), wk = 0.0022321 k( 35) = ( -0.1879702 0.1853259 0.3868221), wk = 0.0022321 k( 36) = ( -0.1934987 0.1907767 0.3981992), wk = 0.0022321 k( 37) = ( -0.1990272 0.1962274 0.4095764), wk = 0.0022321 k( 38) = ( -0.2045558 0.2016782 0.4209535), wk = 0.0022321 k( 39) = ( -0.2100843 0.2071290 0.4323306), wk = 0.0022321 k( 40) = ( -0.2156128 0.2125797 0.4437077), wk = 0.0022321 k( 41) = ( -0.2211414 0.2180305 0.4550848), wk = 0.0022321 k( 42) = ( -0.2266699 0.2234813 0.4664620), wk = 0.0022321 k( 43) = ( -0.2321984 0.2289320 0.4778391), wk = 0.0022321 k( 44) = ( -0.2377270 0.2343828 0.4892162), wk = 0.0022321 k( 45) = ( -0.2432555 0.2398335 0.5005933), wk = 0.0022321 k( 46) = ( -0.2487840 0.2452843 0.5119704), wk = 0.0022321 k( 47) = ( -0.2543126 0.2507351 0.5233476), wk = 0.0022321 k( 48) = ( -0.2598411 0.2561858 0.5347247), wk = 0.0022321 k( 49) = ( -0.2653696 0.2616366 0.5461018), wk = 0.0022321 k( 50) = ( -0.2708982 0.2670874 0.5574789), wk = 0.0022321 k( 51) = ( -0.2764267 0.2725381 0.5688560), wk = 0.0022321 k( 52) = ( -0.2819552 0.2779889 0.5802332), wk = 0.0022321 k( 53) = ( -0.2874838 0.2834396 0.5916103), wk = 0.0022321 k( 54) = ( -0.2930123 0.2888904 0.6029874), wk = 0.0022321 k( 55) = ( -0.2985408 0.2943412 0.6143645), wk = 0.0022321 k( 56) = ( -0.3040694 0.2997919 0.6257416), wk = 0.0022321 k( 57) = ( -0.3095979 0.3052427 0.6371188), wk = 0.0022321 k( 58) = ( -0.3151264 0.3106934 0.6484959), wk = 0.0022321 k( 59) = ( -0.3206550 0.3161442 0.6598730), wk = 0.0022321 k( 60) = ( -0.3261835 0.3215950 0.6712501), wk = 0.0022321 k( 61) = ( -0.3317120 0.3270457 0.6826272), wk = 0.0022321 k( 62) = ( -0.3317120 0.3270457 0.6826272), wk = 0.0022321 k( 63) = ( -0.3242593 0.3196979 0.6897691), wk = 0.0022321 k( 64) = ( -0.3168066 0.3123500 0.6969110), wk = 0.0022321 k( 65) = ( -0.3093539 0.3050021 0.7040529), wk = 0.0022321 k( 66) = ( -0.3019012 0.2976542 0.7111948), wk = 0.0022321 k( 67) = ( -0.2944485 0.2903064 0.7183367), wk = 0.0022321 k( 68) = ( -0.2869958 0.2829585 0.7254786), wk = 0.0022321 k( 69) = ( -0.2795431 0.2756106 0.7326204), wk = 0.0022321 k( 70) = ( -0.2720903 0.2682628 0.7397623), wk = 0.0022321 k( 71) = ( -0.2646376 0.2609149 0.7469042), wk = 0.0022321 k( 72) = ( -0.2571849 0.2535670 0.7540461), wk = 0.0022321 k( 73) = ( -0.2571849 0.2535670 0.7540461), wk = 0.0022321 k( 74) = ( -0.2472932 0.2438144 0.7540461), wk = 0.0022321 k( 75) = ( -0.2374015 0.2340619 0.7540461), wk = 0.0022321 k( 76) = ( -0.2275097 0.2243093 0.7540461), wk = 0.0022321 k( 77) = ( -0.2176180 0.2145567 0.7540461), wk = 0.0022321 k( 78) = ( -0.2077263 0.2048041 0.7540461), wk = 0.0022321 k( 79) = ( -0.1978346 0.1950516 0.7540461), wk = 0.0022321 k( 80) = ( -0.1879428 0.1852990 0.7540461), wk = 0.0022321 k( 81) = ( -0.1780511 0.1755464 0.7540461), wk = 0.0022321 k( 82) = ( -0.1681594 0.1657938 0.7540461), wk = 0.0022321 k( 83) = ( -0.1582676 0.1560412 0.7540461), wk = 0.0022321 k( 84) = ( -0.1483759 0.1462887 0.7540461), wk = 0.0022321 k( 85) = ( -0.1384842 0.1365361 0.7540461), wk = 0.0022321 k( 86) = ( -0.1285925 0.1267835 0.7540461), wk = 0.0022321 k( 87) = ( -0.1187007 0.1170309 0.7540461), wk = 0.0022321 k( 88) = ( -0.1088090 0.1072784 0.7540461), wk = 0.0022321 k( 89) = ( -0.0989173 0.0975258 0.7540461), wk = 0.0022321 k( 90) = ( -0.0890255 0.0877732 0.7540461), wk = 0.0022321 k( 91) = ( -0.0791338 0.0780206 0.7540461), wk = 0.0022321 k( 92) = ( -0.0692421 0.0682680 0.7540461), wk = 0.0022321 k( 93) = ( -0.0593504 0.0585155 0.7540461), wk = 0.0022321 k( 94) = ( -0.0494586 0.0487629 0.7540461), wk = 0.0022321 k( 95) = ( -0.0395669 0.0390103 0.7540461), wk = 0.0022321 k( 96) = ( -0.0296752 0.0292577 0.7540461), wk = 0.0022321 k( 97) = ( -0.0197835 0.0195052 0.7540461), wk = 0.0022321 k( 98) = ( -0.0098917 0.0097526 0.7540461), wk = 0.0022321 k( 99) = ( 0.0000000 0.0000000 0.7540461), wk = 0.0022321 k( 100) = ( 0.0000000 0.0000000 0.7540461), wk = 0.0022321 k( 101) = ( 0.0096154 0.0097526 0.7540461), wk = 0.0022321 k( 102) = ( 0.0192308 0.0195052 0.7540461), wk = 0.0022321 k( 103) = ( 0.0288462 0.0292577 0.7540461), wk = 0.0022321 k( 104) = ( 0.0384615 0.0390103 0.7540461), wk = 0.0022321 k( 105) = ( 0.0480769 0.0487629 0.7540461), wk = 0.0022321 k( 106) = ( 0.0576923 0.0585155 0.7540461), wk = 0.0022321 k( 107) = ( 0.0673077 0.0682680 0.7540461), wk = 0.0022321 k( 108) = ( 0.0769231 0.0780206 0.7540461), wk = 0.0022321 k( 109) = ( 0.0865385 0.0877732 0.7540461), wk = 0.0022321 k( 110) = ( 0.0961538 0.0975258 0.7540461), wk = 0.0022321 k( 111) = ( 0.1057692 0.1072784 0.7540461), wk = 0.0022321 k( 112) = ( 0.1153846 0.1170309 0.7540461), wk = 0.0022321 k( 113) = ( 0.1250000 0.1267835 0.7540461), wk = 0.0022321 k( 114) = ( 0.1346154 0.1365361 0.7540461), wk = 0.0022321 k( 115) = ( 0.1442308 0.1462887 0.7540461), wk = 0.0022321 k( 116) = ( 0.1538461 0.1560412 0.7540461), wk = 0.0022321 k( 117) = ( 0.1634615 0.1657938 0.7540461), wk = 0.0022321 k( 118) = ( 0.1730769 0.1755464 0.7540461), wk = 0.0022321 k( 119) = ( 0.1826923 0.1852990 0.7540461), wk = 0.0022321 k( 120) = ( 0.1923077 0.1950515 0.7540461), wk = 0.0022321 k( 121) = ( 0.2019231 0.2048041 0.7540461), wk = 0.0022321 k( 122) = ( 0.2115385 0.2145567 0.7540461), wk = 0.0022321 k( 123) = ( 0.2211539 0.2243093 0.7540461), wk = 0.0022321 k( 124) = ( 0.2307692 0.2340619 0.7540461), wk = 0.0022321 k( 125) = ( 0.2403846 0.2438144 0.7540461), wk = 0.0022321 k( 126) = ( 0.2500000 0.2535670 0.7540461), wk = 0.0022321 k( 127) = ( 0.2500000 0.2535670 0.7540461), wk = 0.0022321 k( 128) = ( 0.2419355 0.2615181 0.7463179), wk = 0.0022321 k( 129) = ( 0.2338710 0.2694692 0.7385897), wk = 0.0022321 k( 130) = ( 0.2258064 0.2774202 0.7308616), wk = 0.0022321 k( 131) = ( 0.2177419 0.2853713 0.7231334), wk = 0.0022321 k( 132) = ( 0.2096774 0.2933224 0.7154052), wk = 0.0022321 k( 133) = ( 0.2016129 0.3012734 0.7076771), wk = 0.0022321 k( 134) = ( 0.1935484 0.3092245 0.6999489), wk = 0.0022321 k( 135) = ( 0.1854839 0.3171756 0.6922207), wk = 0.0022321 k( 136) = ( 0.1774194 0.3251266 0.6844925), wk = 0.0022321 k( 137) = ( 0.1693548 0.3330777 0.6767644), wk = 0.0022321 k( 138) = ( 0.1612903 0.3410288 0.6690362), wk = 0.0022321 k( 139) = ( 0.1532258 0.3489798 0.6613080), wk = 0.0022321 k( 140) = ( 0.1451613 0.3569309 0.6535799), wk = 0.0022321 k( 141) = ( 0.1370968 0.3648820 0.6458517), wk = 0.0022321 k( 142) = ( 0.1290323 0.3728331 0.6381235), wk = 0.0022321 k( 143) = ( 0.1209677 0.3807841 0.6303953), wk = 0.0022321 k( 144) = ( 0.1129032 0.3887352 0.6226672), wk = 0.0022321 k( 145) = ( 0.1048387 0.3966863 0.6149390), wk = 0.0022321 k( 146) = ( 0.0967742 0.4046373 0.6072108), wk = 0.0022321 k( 147) = ( 0.0887097 0.4125884 0.5994827), wk = 0.0022321 k( 148) = ( 0.0806452 0.4205395 0.5917545), wk = 0.0022321 k( 149) = ( 0.0725806 0.4284905 0.5840263), wk = 0.0022321 k( 150) = ( 0.0645161 0.4364416 0.5762981), wk = 0.0022321 k( 151) = ( 0.0564516 0.4443927 0.5685700), wk = 0.0022321 k( 152) = ( 0.0483871 0.4523438 0.5608418), wk = 0.0022321 k( 153) = ( 0.0403226 0.4602948 0.5531136), wk = 0.0022321 k( 154) = ( 0.0322581 0.4682459 0.5453854), wk = 0.0022321 k( 155) = ( 0.0241936 0.4761970 0.5376573), wk = 0.0022321 k( 156) = ( 0.0161290 0.4841480 0.5299291), wk = 0.0022321 k( 157) = ( 0.0080645 0.4920991 0.5222009), wk = 0.0022321 k( 158) = ( 0.0000000 0.5000502 0.5144728), wk = 0.0022321 k( 159) = ( 0.0000000 0.5000502 0.5144728), wk = 0.0022321 k( 160) = ( 0.0110571 0.5058170 0.5088676), wk = 0.0022321 k( 161) = ( 0.0221141 0.5115838 0.5032625), wk = 0.0022321 k( 162) = ( 0.0331712 0.5173506 0.4976573), wk = 0.0022321 k( 163) = ( 0.0442283 0.5231174 0.4920522), wk = 0.0022321 k( 164) = ( 0.0552853 0.5288842 0.4864470), wk = 0.0022321 k( 165) = ( 0.0663424 0.5346511 0.4808419), wk = 0.0022321 k( 166) = ( 0.0773995 0.5404179 0.4752367), wk = 0.0022321 k( 167) = ( 0.0884565 0.5461847 0.4696316), wk = 0.0022321 k( 168) = ( 0.0995136 0.5519515 0.4640264), wk = 0.0022321 k( 169) = ( 0.1105707 0.5577183 0.4584213), wk = 0.0022321 k( 170) = ( 0.1216278 0.5634851 0.4528161), wk = 0.0022321 k( 171) = ( 0.1326848 0.5692520 0.4472110), wk = 0.0022321 k( 172) = ( 0.1437419 0.5750188 0.4416058), wk = 0.0022321 k( 173) = ( 0.1547989 0.5807856 0.4360007), wk = 0.0022321 k( 174) = ( 0.1658560 0.5865524 0.4303955), wk = 0.0022321 k( 175) = ( 0.1769131 0.5923192 0.4247904), wk = 0.0022321 k( 176) = ( 0.1879702 0.5980860 0.4191852), wk = 0.0022321 k( 177) = ( 0.1990272 0.6038528 0.4135801), wk = 0.0022321 k( 178) = ( 0.2100843 0.6096197 0.4079749), wk = 0.0022321 k( 179) = ( 0.2211414 0.6153865 0.4023698), wk = 0.0022321 k( 180) = ( 0.2321984 0.6211533 0.3967646), wk = 0.0022321 k( 181) = ( 0.2432555 0.6269201 0.3911595), wk = 0.0022321 k( 182) = ( 0.2543126 0.6326869 0.3855543), wk = 0.0022321 k( 183) = ( 0.2653696 0.6384537 0.3799492), wk = 0.0022321 k( 184) = ( 0.2764267 0.6442205 0.3743440), wk = 0.0022321 k( 185) = ( 0.2874838 0.6499874 0.3687389), wk = 0.0022321 k( 186) = ( 0.2985408 0.6557542 0.3631337), wk = 0.0022321 k( 187) = ( 0.3095979 0.6615210 0.3575286), wk = 0.0022321 k( 188) = ( 0.3206550 0.6672878 0.3519234), wk = 0.0022321 k( 189) = ( 0.3317120 0.6730546 0.3463183), wk = 0.0022321 k( 190) = ( 0.3317120 0.6730546 0.3463183), wk = 0.0022321 k( 191) = ( 0.3373216 0.6675239 0.3347743), wk = 0.0022321 k( 192) = ( 0.3429312 0.6619932 0.3232304), wk = 0.0022321 k( 193) = ( 0.3485408 0.6564626 0.3116865), wk = 0.0022321 k( 194) = ( 0.3541504 0.6509319 0.3001425), wk = 0.0022321 k( 195) = ( 0.3597600 0.6454012 0.2885986), wk = 0.0022321 k( 196) = ( 0.3653696 0.6398705 0.2770546), wk = 0.0022321 k( 197) = ( 0.3709792 0.6343398 0.2655107), wk = 0.0022321 k( 198) = ( 0.3765888 0.6288091 0.2539667), wk = 0.0022321 k( 199) = ( 0.3821984 0.6232784 0.2424228), wk = 0.0022321 k( 200) = ( 0.3878080 0.6177478 0.2308789), wk = 0.0022321 k( 201) = ( 0.3934176 0.6122171 0.2193349), wk = 0.0022321 k( 202) = ( 0.3990272 0.6066864 0.2077910), wk = 0.0022321 k( 203) = ( 0.4046368 0.6011557 0.1962470), wk = 0.0022321 k( 204) = ( 0.4102464 0.5956250 0.1847031), wk = 0.0022321 k( 205) = ( 0.4158560 0.5900943 0.1731591), wk = 0.0022321 k( 206) = ( 0.4214656 0.5845636 0.1616152), wk = 0.0022321 k( 207) = ( 0.4270752 0.5790329 0.1500713), wk = 0.0022321 k( 208) = ( 0.4326848 0.5735023 0.1385273), wk = 0.0022321 k( 209) = ( 0.4382944 0.5679716 0.1269834), wk = 0.0022321 k( 210) = ( 0.4439040 0.5624409 0.1154394), wk = 0.0022321 k( 211) = ( 0.4495136 0.5569102 0.1038955), wk = 0.0022321 k( 212) = ( 0.4551232 0.5513795 0.0923515), wk = 0.0022321 k( 213) = ( 0.4607328 0.5458488 0.0808076), wk = 0.0022321 k( 214) = ( 0.4663424 0.5403181 0.0692637), wk = 0.0022321 k( 215) = ( 0.4719520 0.5347875 0.0577197), wk = 0.0022321 k( 216) = ( 0.4775616 0.5292568 0.0461758), wk = 0.0022321 k( 217) = ( 0.4831712 0.5237261 0.0346318), wk = 0.0022321 k( 218) = ( 0.4887808 0.5181954 0.0230879), wk = 0.0022321 k( 219) = ( 0.4943904 0.5126647 0.0115439), wk = 0.0022321 k( 220) = ( 0.5000000 0.5071340 0.0000000), wk = 0.0022321 k( 221) = ( 0.5000000 0.5071340 0.0000000), wk = 0.0022321 k( 222) = ( 0.4901961 0.4971902 0.0000000), wk = 0.0022321 k( 223) = ( 0.4803922 0.4872464 0.0000000), wk = 0.0022321 k( 224) = ( 0.4705882 0.4773026 0.0000000), wk = 0.0022321 k( 225) = ( 0.4607843 0.4673588 0.0000000), wk = 0.0022321 k( 226) = ( 0.4509804 0.4574150 0.0000000), wk = 0.0022321 k( 227) = ( 0.4411765 0.4474712 0.0000000), wk = 0.0022321 k( 228) = ( 0.4313726 0.4375274 0.0000000), wk = 0.0022321 k( 229) = ( 0.4215686 0.4275836 0.0000000), wk = 0.0022321 k( 230) = ( 0.4117647 0.4176398 0.0000000), wk = 0.0022321 k( 231) = ( 0.4019608 0.4076960 0.0000000), wk = 0.0022321 k( 232) = ( 0.3921569 0.3977522 0.0000000), wk = 0.0022321 k( 233) = ( 0.3823529 0.3878084 0.0000000), wk = 0.0022321 k( 234) = ( 0.3725490 0.3778646 0.0000000), wk = 0.0022321 k( 235) = ( 0.3627451 0.3679208 0.0000000), wk = 0.0022321 k( 236) = ( 0.3529412 0.3579770 0.0000000), wk = 0.0022321 k( 237) = ( 0.3431373 0.3480332 0.0000000), wk = 0.0022321 k( 238) = ( 0.3333333 0.3380893 0.0000000), wk = 0.0022321 k( 239) = ( 0.3235294 0.3281455 0.0000000), wk = 0.0022321 k( 240) = ( 0.3137255 0.3182017 0.0000000), wk = 0.0022321 k( 241) = ( 0.3039216 0.3082579 0.0000000), wk = 0.0022321 k( 242) = ( 0.2941177 0.2983141 0.0000000), wk = 0.0022321 k( 243) = ( 0.2843137 0.2883703 0.0000000), wk = 0.0022321 k( 244) = ( 0.2745098 0.2784265 0.0000000), wk = 0.0022321 k( 245) = ( 0.2647059 0.2684827 0.0000000), wk = 0.0022321 k( 246) = ( 0.2549020 0.2585389 0.0000000), wk = 0.0022321 k( 247) = ( 0.2450980 0.2485951 0.0000000), wk = 0.0022321 k( 248) = ( 0.2352941 0.2386513 0.0000000), wk = 0.0022321 k( 249) = ( 0.2254902 0.2287075 0.0000000), wk = 0.0022321 k( 250) = ( 0.2156863 0.2187637 0.0000000), wk = 0.0022321 k( 251) = ( 0.2058823 0.2088199 0.0000000), wk = 0.0022321 k( 252) = ( 0.1960784 0.1988761 0.0000000), wk = 0.0022321 k( 253) = ( 0.1862745 0.1889323 0.0000000), wk = 0.0022321 k( 254) = ( 0.1764706 0.1789885 0.0000000), wk = 0.0022321 k( 255) = ( 0.1666667 0.1690447 0.0000000), wk = 0.0022321 k( 256) = ( 0.1568627 0.1591009 0.0000000), wk = 0.0022321 k( 257) = ( 0.1470588 0.1491571 0.0000000), wk = 0.0022321 k( 258) = ( 0.1372549 0.1392133 0.0000000), wk = 0.0022321 k( 259) = ( 0.1274510 0.1292695 0.0000000), wk = 0.0022321 k( 260) = ( 0.1176471 0.1193257 0.0000000), wk = 0.0022321 k( 261) = ( 0.1078431 0.1093819 0.0000000), wk = 0.0022321 k( 262) = ( 0.0980392 0.0994380 0.0000000), wk = 0.0022321 k( 263) = ( 0.0882353 0.0894942 0.0000000), wk = 0.0022321 k( 264) = ( 0.0784314 0.0795504 0.0000000), wk = 0.0022321 k( 265) = ( 0.0686275 0.0696066 0.0000000), wk = 0.0022321 k( 266) = ( 0.0588235 0.0596628 0.0000000), wk = 0.0022321 k( 267) = ( 0.0490196 0.0497190 0.0000000), wk = 0.0022321 k( 268) = ( 0.0392157 0.0397752 0.0000000), wk = 0.0022321 k( 269) = ( 0.0294118 0.0298314 0.0000000), wk = 0.0022321 k( 270) = ( 0.0196078 0.0198876 0.0000000), wk = 0.0022321 k( 271) = ( 0.0098039 0.0099438 0.0000000), wk = 0.0022321 k( 272) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 273) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 274) = ( 0.0081822 -0.0080671 0.0078409), wk = 0.0022321 k( 275) = ( 0.0163643 -0.0161341 0.0156818), wk = 0.0022321 k( 276) = ( 0.0245465 -0.0242012 0.0235228), wk = 0.0022321 k( 277) = ( 0.0327287 -0.0322683 0.0313637), wk = 0.0022321 k( 278) = ( 0.0409108 -0.0403353 0.0392046), wk = 0.0022321 k( 279) = ( 0.0490930 -0.0484024 0.0470455), wk = 0.0022321 k( 280) = ( 0.0572752 -0.0564695 0.0548864), wk = 0.0022321 k( 281) = ( 0.0654574 -0.0645366 0.0627274), wk = 0.0022321 k( 282) = ( 0.0736395 -0.0726036 0.0705683), wk = 0.0022321 k( 283) = ( 0.0818217 -0.0806707 0.0784092), wk = 0.0022321 k( 284) = ( 0.0900039 -0.0887378 0.0862501), wk = 0.0022321 k( 285) = ( 0.0981860 -0.0968048 0.0940910), wk = 0.0022321 k( 286) = ( 0.1063682 -0.1048719 0.1019320), wk = 0.0022321 k( 287) = ( 0.1145504 -0.1129390 0.1097729), wk = 0.0022321 k( 288) = ( 0.1227326 -0.1210060 0.1176138), wk = 0.0022321 k( 289) = ( 0.1309147 -0.1290731 0.1254547), wk = 0.0022321 k( 290) = ( 0.1390969 -0.1371402 0.1332956), wk = 0.0022321 k( 291) = ( 0.1472791 -0.1452072 0.1411365), wk = 0.0022321 k( 292) = ( 0.1554612 -0.1532743 0.1489775), wk = 0.0022321 k( 293) = ( 0.1636434 -0.1613414 0.1568184), wk = 0.0022321 k( 294) = ( 0.1718256 -0.1694085 0.1646593), wk = 0.0022321 k( 295) = ( 0.1800078 -0.1774755 0.1725002), wk = 0.0022321 k( 296) = ( 0.1881899 -0.1855426 0.1803411), wk = 0.0022321 k( 297) = ( 0.1963721 -0.1936097 0.1881821), wk = 0.0022321 k( 298) = ( 0.2045543 -0.2016767 0.1960230), wk = 0.0022321 k( 299) = ( 0.2127364 -0.2097438 0.2038639), wk = 0.0022321 k( 300) = ( 0.2209186 -0.2178109 0.2117048), wk = 0.0022321 k( 301) = ( 0.2291008 -0.2258779 0.2195457), wk = 0.0022321 k( 302) = ( 0.2372829 -0.2339450 0.2273867), wk = 0.0022321 k( 303) = ( 0.2454651 -0.2420121 0.2352276), wk = 0.0022321 k( 304) = ( 0.2536473 -0.2500791 0.2430685), wk = 0.0022321 k( 305) = ( 0.2618295 -0.2581462 0.2509094), wk = 0.0022321 k( 306) = ( 0.2700116 -0.2662133 0.2587503), wk = 0.0022321 k( 307) = ( 0.2781938 -0.2742804 0.2665913), wk = 0.0022321 k( 308) = ( 0.2863760 -0.2823474 0.2744322), wk = 0.0022321 k( 309) = ( 0.2945582 -0.2904145 0.2822731), wk = 0.0022321 k( 310) = ( 0.3027403 -0.2984816 0.2901140), wk = 0.0022321 k( 311) = ( 0.3109225 -0.3065486 0.2979549), wk = 0.0022321 k( 312) = ( 0.3191047 -0.3146157 0.3057959), wk = 0.0022321 k( 313) = ( 0.3272868 -0.3226828 0.3136368), wk = 0.0022321 k( 314) = ( 0.3354690 -0.3307498 0.3214777), wk = 0.0022321 k( 315) = ( 0.3436512 -0.3388169 0.3293186), wk = 0.0022321 k( 316) = ( 0.3518333 -0.3468840 0.3371595), wk = 0.0022321 k( 317) = ( 0.3600155 -0.3549510 0.3450004), wk = 0.0022321 k( 318) = ( 0.3681977 -0.3630181 0.3528414), wk = 0.0022321 k( 319) = ( 0.3763799 -0.3710852 0.3606823), wk = 0.0022321 k( 320) = ( 0.3845620 -0.3791523 0.3685232), wk = 0.0022321 k( 321) = ( 0.3927442 -0.3872193 0.3763641), wk = 0.0022321 k( 322) = ( 0.4009264 -0.3952864 0.3842051), wk = 0.0022321 k( 323) = ( 0.4091085 -0.4033535 0.3920460), wk = 0.0022321 k( 324) = ( 0.4172907 -0.4114205 0.3998869), wk = 0.0022321 k( 325) = ( 0.4254729 -0.4194876 0.4077278), wk = 0.0022321 k( 326) = ( 0.4254729 -0.4194876 0.4077278), wk = 0.0022321 k( 327) = ( 0.4276648 -0.4069414 0.4027821), wk = 0.0022321 k( 328) = ( 0.4298568 -0.3943952 0.3978364), wk = 0.0022321 k( 329) = ( 0.4320488 -0.3818489 0.3928906), wk = 0.0022321 k( 330) = ( 0.4342408 -0.3693027 0.3879449), wk = 0.0022321 k( 331) = ( 0.4364327 -0.3567565 0.3829992), wk = 0.0022321 k( 332) = ( 0.4386247 -0.3442103 0.3780535), wk = 0.0022321 k( 333) = ( 0.4408167 -0.3316641 0.3731078), wk = 0.0022321 k( 334) = ( 0.4430087 -0.3191178 0.3681620), wk = 0.0022321 k( 335) = ( 0.4452006 -0.3065716 0.3632163), wk = 0.0022321 k( 336) = ( 0.4473926 -0.2940254 0.3582706), wk = 0.0022321 k( 337) = ( 0.4495846 -0.2814792 0.3533249), wk = 0.0022321 k( 338) = ( 0.4517766 -0.2689330 0.3483792), wk = 0.0022321 k( 339) = ( 0.4539685 -0.2563868 0.3434334), wk = 0.0022321 k( 340) = ( 0.4561605 -0.2438405 0.3384877), wk = 0.0022321 k( 341) = ( 0.4583525 -0.2312943 0.3335420), wk = 0.0022321 k( 342) = ( 0.4605445 -0.2187481 0.3285963), wk = 0.0022321 k( 343) = ( 0.4627364 -0.2062019 0.3236506), wk = 0.0022321 k( 344) = ( 0.4649284 -0.1936557 0.3187048), wk = 0.0022321 k( 345) = ( 0.4671204 -0.1811094 0.3137591), wk = 0.0022321 k( 346) = ( 0.4693124 -0.1685632 0.3088134), wk = 0.0022321 k( 347) = ( 0.4715043 -0.1560170 0.3038677), wk = 0.0022321 k( 348) = ( 0.4736963 -0.1434708 0.2989220), wk = 0.0022321 k( 349) = ( 0.4758883 -0.1309246 0.2939762), wk = 0.0022321 k( 350) = ( 0.4780803 -0.1183783 0.2890305), wk = 0.0022321 k( 351) = ( 0.4802722 -0.1058321 0.2840848), wk = 0.0022321 k( 352) = ( 0.4824642 -0.0932859 0.2791391), wk = 0.0022321 k( 353) = ( 0.4846562 -0.0807397 0.2741934), wk = 0.0022321 k( 354) = ( 0.4868482 -0.0681935 0.2692476), wk = 0.0022321 k( 355) = ( 0.4890401 -0.0556472 0.2643019), wk = 0.0022321 k( 356) = ( 0.4912321 -0.0431010 0.2593562), wk = 0.0022321 k( 357) = ( 0.4934241 -0.0305548 0.2544105), wk = 0.0022321 k( 358) = ( 0.4956160 -0.0180086 0.2494648), wk = 0.0022321 k( 359) = ( 0.4978080 -0.0054624 0.2445190), wk = 0.0022321 k( 360) = ( 0.5000000 0.0070838 0.2395733), wk = 0.0022321 k( 361) = ( 0.5000000 0.0070838 0.2395733), wk = 0.0022321 k( 362) = ( 0.4944444 0.0125613 0.2510061), wk = 0.0022321 k( 363) = ( 0.4888889 0.0180387 0.2624388), wk = 0.0022321 k( 364) = ( 0.4833333 0.0235161 0.2738715), wk = 0.0022321 k( 365) = ( 0.4777778 0.0289935 0.2853042), wk = 0.0022321 k( 366) = ( 0.4722222 0.0344709 0.2967370), wk = 0.0022321 k( 367) = ( 0.4666667 0.0399483 0.3081697), wk = 0.0022321 k( 368) = ( 0.4611111 0.0454257 0.3196024), wk = 0.0022321 k( 369) = ( 0.4555556 0.0509031 0.3310351), wk = 0.0022321 k( 370) = ( 0.4500000 0.0563805 0.3424679), wk = 0.0022321 k( 371) = ( 0.4444444 0.0618579 0.3539006), wk = 0.0022321 k( 372) = ( 0.4388889 0.0673353 0.3653333), wk = 0.0022321 k( 373) = ( 0.4333333 0.0728127 0.3767661), wk = 0.0022321 k( 374) = ( 0.4277778 0.0782901 0.3881988), wk = 0.0022321 k( 375) = ( 0.4222222 0.0837675 0.3996315), wk = 0.0022321 k( 376) = ( 0.4166667 0.0892449 0.4110642), wk = 0.0022321 k( 377) = ( 0.4111111 0.0947223 0.4224970), wk = 0.0022321 k( 378) = ( 0.4055556 0.1001997 0.4339297), wk = 0.0022321 k( 379) = ( 0.4000000 0.1056771 0.4453624), wk = 0.0022321 k( 380) = ( 0.3944444 0.1111545 0.4567952), wk = 0.0022321 k( 381) = ( 0.3888889 0.1166319 0.4682279), wk = 0.0022321 k( 382) = ( 0.3833333 0.1221093 0.4796606), wk = 0.0022321 k( 383) = ( 0.3777778 0.1275867 0.4910933), wk = 0.0022321 k( 384) = ( 0.3722222 0.1330641 0.5025261), wk = 0.0022321 k( 385) = ( 0.3666667 0.1385415 0.5139588), wk = 0.0022321 k( 386) = ( 0.3611111 0.1440189 0.5253915), wk = 0.0022321 k( 387) = ( 0.3555556 0.1494963 0.5368242), wk = 0.0022321 k( 388) = ( 0.3500000 0.1549737 0.5482570), wk = 0.0022321 k( 389) = ( 0.3444444 0.1604512 0.5596897), wk = 0.0022321 k( 390) = ( 0.3388889 0.1659286 0.5711224), wk = 0.0022321 k( 391) = ( 0.3333333 0.1714060 0.5825552), wk = 0.0022321 k( 392) = ( 0.3277778 0.1768834 0.5939879), wk = 0.0022321 k( 393) = ( 0.3222222 0.1823608 0.6054206), wk = 0.0022321 k( 394) = ( 0.3166667 0.1878382 0.6168533), wk = 0.0022321 k( 395) = ( 0.3111111 0.1933156 0.6282861), wk = 0.0022321 k( 396) = ( 0.3055556 0.1987930 0.6397188), wk = 0.0022321 k( 397) = ( 0.3000000 0.2042704 0.6511515), wk = 0.0022321 k( 398) = ( 0.2944444 0.2097478 0.6625843), wk = 0.0022321 k( 399) = ( 0.2888889 0.2152252 0.6740170), wk = 0.0022321 k( 400) = ( 0.2833333 0.2207026 0.6854497), wk = 0.0022321 k( 401) = ( 0.2777778 0.2261800 0.6968824), wk = 0.0022321 k( 402) = ( 0.2722222 0.2316574 0.7083152), wk = 0.0022321 k( 403) = ( 0.2666667 0.2371348 0.7197479), wk = 0.0022321 k( 404) = ( 0.2611111 0.2426122 0.7311806), wk = 0.0022321 k( 405) = ( 0.2555556 0.2480896 0.7426134), wk = 0.0022321 k( 406) = ( 0.2500000 0.2535670 0.7540461), wk = 0.0022321 k( 407) = ( 0.2571849 -0.2535670 0.7540461), wk = 0.0022321 k( 408) = ( 0.2627945 -0.2590977 0.7425022), wk = 0.0022321 k( 409) = ( 0.2684041 -0.2646284 0.7309582), wk = 0.0022321 k( 410) = ( 0.2740137 -0.2701591 0.7194143), wk = 0.0022321 k( 411) = ( 0.2796233 -0.2756898 0.7078703), wk = 0.0022321 k( 412) = ( 0.2852329 -0.2812204 0.6963264), wk = 0.0022321 k( 413) = ( 0.2908425 -0.2867511 0.6847824), wk = 0.0022321 k( 414) = ( 0.2964521 -0.2922818 0.6732385), wk = 0.0022321 k( 415) = ( 0.3020617 -0.2978125 0.6616946), wk = 0.0022321 k( 416) = ( 0.3076713 -0.3033432 0.6501506), wk = 0.0022321 k( 417) = ( 0.3132809 -0.3088739 0.6386067), wk = 0.0022321 k( 418) = ( 0.3188905 -0.3144046 0.6270627), wk = 0.0022321 k( 419) = ( 0.3245001 -0.3199352 0.6155188), wk = 0.0022321 k( 420) = ( 0.3301097 -0.3254659 0.6039748), wk = 0.0022321 k( 421) = ( 0.3357193 -0.3309966 0.5924309), wk = 0.0022321 k( 422) = ( 0.3413289 -0.3365273 0.5808870), wk = 0.0022321 k( 423) = ( 0.3469385 -0.3420580 0.5693430), wk = 0.0022321 k( 424) = ( 0.3525481 -0.3475887 0.5577991), wk = 0.0022321 k( 425) = ( 0.3581577 -0.3531194 0.5462551), wk = 0.0022321 k( 426) = ( 0.3637673 -0.3586501 0.5347112), wk = 0.0022321 k( 427) = ( 0.3693769 -0.3641807 0.5231672), wk = 0.0022321 k( 428) = ( 0.3749865 -0.3697114 0.5116233), wk = 0.0022321 k( 429) = ( 0.3805961 -0.3752421 0.5000794), wk = 0.0022321 k( 430) = ( 0.3862057 -0.3807728 0.4885354), wk = 0.0022321 k( 431) = ( 0.3918153 -0.3863035 0.4769915), wk = 0.0022321 k( 432) = ( 0.3974249 -0.3918342 0.4654475), wk = 0.0022321 k( 433) = ( 0.4030345 -0.3973649 0.4539036), wk = 0.0022321 k( 434) = ( 0.4086441 -0.4028955 0.4423596), wk = 0.0022321 k( 435) = ( 0.4142537 -0.4084262 0.4308157), wk = 0.0022321 k( 436) = ( 0.4198633 -0.4139569 0.4192718), wk = 0.0022321 k( 437) = ( 0.4254729 -0.4194876 0.4077278), wk = 0.0022321 k( 438) = ( 0.5745271 0.4336553 0.0714188), wk = 0.0022321 k( 439) = ( 0.5670744 0.4410032 0.0642770), wk = 0.0022321 k( 440) = ( 0.5596217 0.4483510 0.0571351), wk = 0.0022321 k( 441) = ( 0.5521690 0.4556989 0.0499932), wk = 0.0022321 k( 442) = ( 0.5447163 0.4630468 0.0428513), wk = 0.0022321 k( 443) = ( 0.5372636 0.4703947 0.0357094), wk = 0.0022321 k( 444) = ( 0.5298109 0.4777425 0.0285675), wk = 0.0022321 k( 445) = ( 0.5223581 0.4850904 0.0214257), wk = 0.0022321 k( 446) = ( 0.5149054 0.4924383 0.0142838), wk = 0.0022321 k( 447) = ( 0.5074527 0.4997862 0.0071419), wk = 0.0022321 k( 448) = ( 0.5000000 0.5071340 0.0000000), wk = 0.0022321 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 2) = ( -0.0055285 0.0055285 0.0055285), wk = 0.0022321 k( 3) = ( -0.0110571 0.0110571 0.0110571), wk = 0.0022321 k( 4) = ( -0.0165856 0.0165856 0.0165856), wk = 0.0022321 k( 5) = ( -0.0221141 0.0221141 0.0221141), wk = 0.0022321 k( 6) = ( -0.0276427 0.0276427 0.0276427), wk = 0.0022321 k( 7) = ( -0.0331712 0.0331712 0.0331712), wk = 0.0022321 k( 8) = ( -0.0386997 0.0386997 0.0386997), wk = 0.0022321 k( 9) = ( -0.0442283 0.0442283 0.0442283), wk = 0.0022321 k( 10) = ( -0.0497568 0.0497568 0.0497568), wk = 0.0022321 k( 11) = ( -0.0552853 0.0552853 0.0552853), wk = 0.0022321 k( 12) = ( -0.0608139 0.0608139 0.0608139), wk = 0.0022321 k( 13) = ( -0.0663424 0.0663424 0.0663424), wk = 0.0022321 k( 14) = ( -0.0718709 0.0718709 0.0718709), wk = 0.0022321 k( 15) = ( -0.0773995 0.0773995 0.0773995), wk = 0.0022321 k( 16) = ( -0.0829280 0.0829280 0.0829280), wk = 0.0022321 k( 17) = ( -0.0884565 0.0884565 0.0884565), wk = 0.0022321 k( 18) = ( -0.0939851 0.0939851 0.0939851), wk = 0.0022321 k( 19) = ( -0.0995136 0.0995136 0.0995136), wk = 0.0022321 k( 20) = ( -0.1050422 0.1050422 0.1050421), wk = 0.0022321 k( 21) = ( -0.1105707 0.1105707 0.1105707), wk = 0.0022321 k( 22) = ( -0.1160992 0.1160992 0.1160992), wk = 0.0022321 k( 23) = ( -0.1216278 0.1216278 0.1216277), wk = 0.0022321 k( 24) = ( -0.1271563 0.1271563 0.1271563), wk = 0.0022321 k( 25) = ( -0.1326848 0.1326848 0.1326848), wk = 0.0022321 k( 26) = ( -0.1382134 0.1382134 0.1382134), wk = 0.0022321 k( 27) = ( -0.1437419 0.1437419 0.1437419), wk = 0.0022321 k( 28) = ( -0.1492704 0.1492704 0.1492704), wk = 0.0022321 k( 29) = ( -0.1547989 0.1547989 0.1547989), wk = 0.0022321 k( 30) = ( -0.1603275 0.1603275 0.1603275), wk = 0.0022321 k( 31) = ( -0.1658560 0.1658560 0.1658560), wk = 0.0022321 k( 32) = ( -0.1713846 0.1713846 0.1713846), wk = 0.0022321 k( 33) = ( -0.1769131 0.1769131 0.1769131), wk = 0.0022321 k( 34) = ( -0.1824416 0.1824416 0.1824416), wk = 0.0022321 k( 35) = ( -0.1879702 0.1879702 0.1879702), wk = 0.0022321 k( 36) = ( -0.1934987 0.1934987 0.1934987), wk = 0.0022321 k( 37) = ( -0.1990272 0.1990272 0.1990272), wk = 0.0022321 k( 38) = ( -0.2045558 0.2045558 0.2045558), wk = 0.0022321 k( 39) = ( -0.2100843 0.2100843 0.2100843), wk = 0.0022321 k( 40) = ( -0.2156128 0.2156128 0.2156128), wk = 0.0022321 k( 41) = ( -0.2211414 0.2211414 0.2211414), wk = 0.0022321 k( 42) = ( -0.2266699 0.2266699 0.2266699), wk = 0.0022321 k( 43) = ( -0.2321984 0.2321984 0.2321984), wk = 0.0022321 k( 44) = ( -0.2377270 0.2377270 0.2377270), wk = 0.0022321 k( 45) = ( -0.2432555 0.2432555 0.2432555), wk = 0.0022321 k( 46) = ( -0.2487840 0.2487840 0.2487840), wk = 0.0022321 k( 47) = ( -0.2543126 0.2543126 0.2543126), wk = 0.0022321 k( 48) = ( -0.2598411 0.2598411 0.2598411), wk = 0.0022321 k( 49) = ( -0.2653696 0.2653696 0.2653696), wk = 0.0022321 k( 50) = ( -0.2708982 0.2708982 0.2708982), wk = 0.0022321 k( 51) = ( -0.2764267 0.2764267 0.2764267), wk = 0.0022321 k( 52) = ( -0.2819552 0.2819552 0.2819552), wk = 0.0022321 k( 53) = ( -0.2874838 0.2874838 0.2874838), wk = 0.0022321 k( 54) = ( -0.2930123 0.2930123 0.2930123), wk = 0.0022321 k( 55) = ( -0.2985408 0.2985408 0.2985408), wk = 0.0022321 k( 56) = ( -0.3040694 0.3040694 0.3040694), wk = 0.0022321 k( 57) = ( -0.3095979 0.3095979 0.3095979), wk = 0.0022321 k( 58) = ( -0.3151264 0.3151264 0.3151264), wk = 0.0022321 k( 59) = ( -0.3206550 0.3206550 0.3206550), wk = 0.0022321 k( 60) = ( -0.3261835 0.3261835 0.3261835), wk = 0.0022321 k( 61) = ( -0.3317120 0.3317120 0.3317120), wk = 0.0022321 k( 62) = ( -0.3317120 0.3317120 0.3317120), wk = 0.0022321 k( 63) = ( -0.3242593 0.3242593 0.3391648), wk = 0.0022321 k( 64) = ( -0.3168066 0.3168066 0.3466175), wk = 0.0022321 k( 65) = ( -0.3093539 0.3093539 0.3540702), wk = 0.0022321 k( 66) = ( -0.3019012 0.3019012 0.3615229), wk = 0.0022321 k( 67) = ( -0.2944485 0.2944485 0.3689756), wk = 0.0022321 k( 68) = ( -0.2869958 0.2869958 0.3764283), wk = 0.0022321 k( 69) = ( -0.2795431 0.2795431 0.3838810), wk = 0.0022321 k( 70) = ( -0.2720903 0.2720904 0.3913337), wk = 0.0022321 k( 71) = ( -0.2646376 0.2646376 0.3987864), wk = 0.0022321 k( 72) = ( -0.2571849 0.2571849 0.4062392), wk = 0.0022321 k( 73) = ( -0.2571849 0.2571849 0.4062392), wk = 0.0022321 k( 74) = ( -0.2472932 0.2472932 0.4098453), wk = 0.0022321 k( 75) = ( -0.2374015 0.2374015 0.4134515), wk = 0.0022321 k( 76) = ( -0.2275097 0.2275097 0.4170577), wk = 0.0022321 k( 77) = ( -0.2176180 0.2176180 0.4206639), wk = 0.0022321 k( 78) = ( -0.2077263 0.2077263 0.4242701), wk = 0.0022321 k( 79) = ( -0.1978346 0.1978346 0.4278763), wk = 0.0022321 k( 80) = ( -0.1879428 0.1879428 0.4314825), wk = 0.0022321 k( 81) = ( -0.1780511 0.1780511 0.4350887), wk = 0.0022321 k( 82) = ( -0.1681594 0.1681594 0.4386948), wk = 0.0022321 k( 83) = ( -0.1582676 0.1582676 0.4423010), wk = 0.0022321 k( 84) = ( -0.1483759 0.1483759 0.4459072), wk = 0.0022321 k( 85) = ( -0.1384842 0.1384842 0.4495134), wk = 0.0022321 k( 86) = ( -0.1285925 0.1285925 0.4531196), wk = 0.0022321 k( 87) = ( -0.1187007 0.1187007 0.4567258), wk = 0.0022321 k( 88) = ( -0.1088090 0.1088090 0.4603319), wk = 0.0022321 k( 89) = ( -0.0989173 0.0989173 0.4639381), wk = 0.0022321 k( 90) = ( -0.0890255 0.0890255 0.4675443), wk = 0.0022321 k( 91) = ( -0.0791338 0.0791338 0.4711505), wk = 0.0022321 k( 92) = ( -0.0692421 0.0692421 0.4747567), wk = 0.0022321 k( 93) = ( -0.0593504 0.0593504 0.4783629), wk = 0.0022321 k( 94) = ( -0.0494586 0.0494586 0.4819691), wk = 0.0022321 k( 95) = ( -0.0395669 0.0395669 0.4855753), wk = 0.0022321 k( 96) = ( -0.0296752 0.0296752 0.4891814), wk = 0.0022321 k( 97) = ( -0.0197835 0.0197835 0.4927876), wk = 0.0022321 k( 98) = ( -0.0098917 0.0098917 0.4963938), wk = 0.0022321 k( 99) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 100) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 101) = ( 0.0096154 0.0096154 0.4903846), wk = 0.0022321 k( 102) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0022321 k( 103) = ( 0.0288462 0.0288462 0.4711538), wk = 0.0022321 k( 104) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0022321 k( 105) = ( 0.0480769 0.0480769 0.4519231), wk = 0.0022321 k( 106) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0022321 k( 107) = ( 0.0673077 0.0673077 0.4326923), wk = 0.0022321 k( 108) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0022321 k( 109) = ( 0.0865385 0.0865385 0.4134615), wk = 0.0022321 k( 110) = ( 0.0961538 0.0961539 0.4038462), wk = 0.0022321 k( 111) = ( 0.1057692 0.1057692 0.3942308), wk = 0.0022321 k( 112) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0022321 k( 113) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0022321 k( 114) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0022321 k( 115) = ( 0.1442308 0.1442308 0.3557692), wk = 0.0022321 k( 116) = ( 0.1538461 0.1538462 0.3461538), wk = 0.0022321 k( 117) = ( 0.1634615 0.1634615 0.3365385), wk = 0.0022321 k( 118) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0022321 k( 119) = ( 0.1826923 0.1826923 0.3173077), wk = 0.0022321 k( 120) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0022321 k( 121) = ( 0.2019231 0.2019231 0.2980769), wk = 0.0022321 k( 122) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0022321 k( 123) = ( 0.2211539 0.2211539 0.2788462), wk = 0.0022321 k( 124) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0022321 k( 125) = ( 0.2403846 0.2403846 0.2596154), wk = 0.0022321 k( 126) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022321 k( 127) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022321 k( 128) = ( 0.2419355 0.2580645 0.2419355), wk = 0.0022321 k( 129) = ( 0.2338710 0.2661290 0.2338710), wk = 0.0022321 k( 130) = ( 0.2258064 0.2741936 0.2258064), wk = 0.0022321 k( 131) = ( 0.2177419 0.2822581 0.2177419), wk = 0.0022321 k( 132) = ( 0.2096774 0.2903226 0.2096774), wk = 0.0022321 k( 133) = ( 0.2016129 0.2983871 0.2016129), wk = 0.0022321 k( 134) = ( 0.1935484 0.3064516 0.1935484), wk = 0.0022321 k( 135) = ( 0.1854839 0.3145161 0.1854839), wk = 0.0022321 k( 136) = ( 0.1774194 0.3225807 0.1774193), wk = 0.0022321 k( 137) = ( 0.1693548 0.3306452 0.1693548), wk = 0.0022321 k( 138) = ( 0.1612903 0.3387097 0.1612903), wk = 0.0022321 k( 139) = ( 0.1532258 0.3467742 0.1532258), wk = 0.0022321 k( 140) = ( 0.1451613 0.3548387 0.1451613), wk = 0.0022321 k( 141) = ( 0.1370968 0.3629032 0.1370968), wk = 0.0022321 k( 142) = ( 0.1290323 0.3709677 0.1290323), wk = 0.0022321 k( 143) = ( 0.1209677 0.3790323 0.1209677), wk = 0.0022321 k( 144) = ( 0.1129032 0.3870968 0.1129032), wk = 0.0022321 k( 145) = ( 0.1048387 0.3951613 0.1048387), wk = 0.0022321 k( 146) = ( 0.0967742 0.4032258 0.0967742), wk = 0.0022321 k( 147) = ( 0.0887097 0.4112903 0.0887097), wk = 0.0022321 k( 148) = ( 0.0806452 0.4193548 0.0806452), wk = 0.0022321 k( 149) = ( 0.0725806 0.4274194 0.0725806), wk = 0.0022321 k( 150) = ( 0.0645161 0.4354839 0.0645161), wk = 0.0022321 k( 151) = ( 0.0564516 0.4435484 0.0564516), wk = 0.0022321 k( 152) = ( 0.0483871 0.4516129 0.0483871), wk = 0.0022321 k( 153) = ( 0.0403226 0.4596774 0.0403226), wk = 0.0022321 k( 154) = ( 0.0322581 0.4677419 0.0322581), wk = 0.0022321 k( 155) = ( 0.0241936 0.4758065 0.0241935), wk = 0.0022321 k( 156) = ( 0.0161290 0.4838710 0.0161290), wk = 0.0022321 k( 157) = ( 0.0080645 0.4919355 0.0080645), wk = 0.0022321 k( 158) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022321 k( 159) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022321 k( 160) = ( 0.0110571 0.5056096 -0.0110571), wk = 0.0022321 k( 161) = ( 0.0221141 0.5112192 -0.0221141), wk = 0.0022321 k( 162) = ( 0.0331712 0.5168288 -0.0331712), wk = 0.0022321 k( 163) = ( 0.0442283 0.5224384 -0.0442283), wk = 0.0022321 k( 164) = ( 0.0552853 0.5280480 -0.0552853), wk = 0.0022321 k( 165) = ( 0.0663424 0.5336576 -0.0663424), wk = 0.0022321 k( 166) = ( 0.0773995 0.5392672 -0.0773995), wk = 0.0022321 k( 167) = ( 0.0884565 0.5448768 -0.0884565), wk = 0.0022321 k( 168) = ( 0.0995136 0.5504864 -0.0995136), wk = 0.0022321 k( 169) = ( 0.1105707 0.5560960 -0.1105707), wk = 0.0022321 k( 170) = ( 0.1216278 0.5617056 -0.1216278), wk = 0.0022321 k( 171) = ( 0.1326848 0.5673152 -0.1326848), wk = 0.0022321 k( 172) = ( 0.1437419 0.5729248 -0.1437419), wk = 0.0022321 k( 173) = ( 0.1547989 0.5785344 -0.1547989), wk = 0.0022321 k( 174) = ( 0.1658560 0.5841440 -0.1658560), wk = 0.0022321 k( 175) = ( 0.1769131 0.5897536 -0.1769131), wk = 0.0022321 k( 176) = ( 0.1879702 0.5953632 -0.1879702), wk = 0.0022321 k( 177) = ( 0.1990272 0.6009728 -0.1990272), wk = 0.0022321 k( 178) = ( 0.2100843 0.6065824 -0.2100843), wk = 0.0022321 k( 179) = ( 0.2211414 0.6121920 -0.2211414), wk = 0.0022321 k( 180) = ( 0.2321984 0.6178016 -0.2321984), wk = 0.0022321 k( 181) = ( 0.2432555 0.6234112 -0.2432555), wk = 0.0022321 k( 182) = ( 0.2543126 0.6290208 -0.2543126), wk = 0.0022321 k( 183) = ( 0.2653696 0.6346304 -0.2653696), wk = 0.0022321 k( 184) = ( 0.2764267 0.6402400 -0.2764267), wk = 0.0022321 k( 185) = ( 0.2874838 0.6458496 -0.2874838), wk = 0.0022321 k( 186) = ( 0.2985408 0.6514592 -0.2985408), wk = 0.0022321 k( 187) = ( 0.3095979 0.6570688 -0.3095979), wk = 0.0022321 k( 188) = ( 0.3206550 0.6626784 -0.3206550), wk = 0.0022321 k( 189) = ( 0.3317120 0.6682880 -0.3317120), wk = 0.0022321 k( 190) = ( 0.3317120 0.6682880 -0.3317120), wk = 0.0022321 k( 191) = ( 0.3373216 0.6626784 -0.3373216), wk = 0.0022321 k( 192) = ( 0.3429312 0.6570688 -0.3429312), wk = 0.0022321 k( 193) = ( 0.3485408 0.6514592 -0.3485408), wk = 0.0022321 k( 194) = ( 0.3541504 0.6458496 -0.3541504), wk = 0.0022321 k( 195) = ( 0.3597600 0.6402400 -0.3597600), wk = 0.0022321 k( 196) = ( 0.3653696 0.6346304 -0.3653696), wk = 0.0022321 k( 197) = ( 0.3709792 0.6290208 -0.3709792), wk = 0.0022321 k( 198) = ( 0.3765888 0.6234112 -0.3765888), wk = 0.0022321 k( 199) = ( 0.3821984 0.6178016 -0.3821984), wk = 0.0022321 k( 200) = ( 0.3878080 0.6121920 -0.3878080), wk = 0.0022321 k( 201) = ( 0.3934176 0.6065824 -0.3934176), wk = 0.0022321 k( 202) = ( 0.3990272 0.6009728 -0.3990272), wk = 0.0022321 k( 203) = ( 0.4046368 0.5953632 -0.4046368), wk = 0.0022321 k( 204) = ( 0.4102464 0.5897536 -0.4102464), wk = 0.0022321 k( 205) = ( 0.4158560 0.5841440 -0.4158560), wk = 0.0022321 k( 206) = ( 0.4214656 0.5785344 -0.4214656), wk = 0.0022321 k( 207) = ( 0.4270752 0.5729248 -0.4270752), wk = 0.0022321 k( 208) = ( 0.4326848 0.5673152 -0.4326848), wk = 0.0022321 k( 209) = ( 0.4382944 0.5617056 -0.4382944), wk = 0.0022321 k( 210) = ( 0.4439040 0.5560960 -0.4439040), wk = 0.0022321 k( 211) = ( 0.4495136 0.5504864 -0.4495136), wk = 0.0022321 k( 212) = ( 0.4551232 0.5448768 -0.4551232), wk = 0.0022321 k( 213) = ( 0.4607328 0.5392672 -0.4607328), wk = 0.0022321 k( 214) = ( 0.4663424 0.5336576 -0.4663424), wk = 0.0022321 k( 215) = ( 0.4719520 0.5280480 -0.4719520), wk = 0.0022321 k( 216) = ( 0.4775616 0.5224384 -0.4775616), wk = 0.0022321 k( 217) = ( 0.4831712 0.5168288 -0.4831712), wk = 0.0022321 k( 218) = ( 0.4887808 0.5112192 -0.4887808), wk = 0.0022321 k( 219) = ( 0.4943904 0.5056096 -0.4943904), wk = 0.0022321 k( 220) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022321 k( 221) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022321 k( 222) = ( 0.4901961 0.4901961 -0.4901961), wk = 0.0022321 k( 223) = ( 0.4803922 0.4803922 -0.4803922), wk = 0.0022321 k( 224) = ( 0.4705882 0.4705882 -0.4705882), wk = 0.0022321 k( 225) = ( 0.4607843 0.4607843 -0.4607843), wk = 0.0022321 k( 226) = ( 0.4509804 0.4509804 -0.4509804), wk = 0.0022321 k( 227) = ( 0.4411765 0.4411765 -0.4411765), wk = 0.0022321 k( 228) = ( 0.4313726 0.4313726 -0.4313726), wk = 0.0022321 k( 229) = ( 0.4215686 0.4215686 -0.4215686), wk = 0.0022321 k( 230) = ( 0.4117647 0.4117647 -0.4117647), wk = 0.0022321 k( 231) = ( 0.4019608 0.4019608 -0.4019608), wk = 0.0022321 k( 232) = ( 0.3921569 0.3921569 -0.3921569), wk = 0.0022321 k( 233) = ( 0.3823529 0.3823529 -0.3823529), wk = 0.0022321 k( 234) = ( 0.3725490 0.3725490 -0.3725490), wk = 0.0022321 k( 235) = ( 0.3627451 0.3627451 -0.3627451), wk = 0.0022321 k( 236) = ( 0.3529412 0.3529412 -0.3529412), wk = 0.0022321 k( 237) = ( 0.3431373 0.3431373 -0.3431372), wk = 0.0022321 k( 238) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0022321 k( 239) = ( 0.3235294 0.3235294 -0.3235294), wk = 0.0022321 k( 240) = ( 0.3137255 0.3137255 -0.3137255), wk = 0.0022321 k( 241) = ( 0.3039216 0.3039216 -0.3039216), wk = 0.0022321 k( 242) = ( 0.2941177 0.2941177 -0.2941176), wk = 0.0022321 k( 243) = ( 0.2843137 0.2843137 -0.2843137), wk = 0.0022321 k( 244) = ( 0.2745098 0.2745098 -0.2745098), wk = 0.0022321 k( 245) = ( 0.2647059 0.2647059 -0.2647059), wk = 0.0022321 k( 246) = ( 0.2549020 0.2549020 -0.2549020), wk = 0.0022321 k( 247) = ( 0.2450980 0.2450980 -0.2450980), wk = 0.0022321 k( 248) = ( 0.2352941 0.2352941 -0.2352941), wk = 0.0022321 k( 249) = ( 0.2254902 0.2254902 -0.2254902), wk = 0.0022321 k( 250) = ( 0.2156863 0.2156863 -0.2156863), wk = 0.0022321 k( 251) = ( 0.2058823 0.2058824 -0.2058823), wk = 0.0022321 k( 252) = ( 0.1960784 0.1960784 -0.1960784), wk = 0.0022321 k( 253) = ( 0.1862745 0.1862745 -0.1862745), wk = 0.0022321 k( 254) = ( 0.1764706 0.1764706 -0.1764706), wk = 0.0022321 k( 255) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0022321 k( 256) = ( 0.1568627 0.1568627 -0.1568627), wk = 0.0022321 k( 257) = ( 0.1470588 0.1470588 -0.1470588), wk = 0.0022321 k( 258) = ( 0.1372549 0.1372549 -0.1372549), wk = 0.0022321 k( 259) = ( 0.1274510 0.1274510 -0.1274510), wk = 0.0022321 k( 260) = ( 0.1176471 0.1176471 -0.1176471), wk = 0.0022321 k( 261) = ( 0.1078431 0.1078431 -0.1078431), wk = 0.0022321 k( 262) = ( 0.0980392 0.0980392 -0.0980392), wk = 0.0022321 k( 263) = ( 0.0882353 0.0882353 -0.0882353), wk = 0.0022321 k( 264) = ( 0.0784314 0.0784314 -0.0784314), wk = 0.0022321 k( 265) = ( 0.0686275 0.0686275 -0.0686274), wk = 0.0022321 k( 266) = ( 0.0588235 0.0588235 -0.0588235), wk = 0.0022321 k( 267) = ( 0.0490196 0.0490196 -0.0490196), wk = 0.0022321 k( 268) = ( 0.0392157 0.0392157 -0.0392157), wk = 0.0022321 k( 269) = ( 0.0294118 0.0294118 -0.0294118), wk = 0.0022321 k( 270) = ( 0.0196078 0.0196078 -0.0196078), wk = 0.0022321 k( 271) = ( 0.0098039 0.0098039 -0.0098039), wk = 0.0022321 k( 272) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 273) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 274) = ( 0.0081822 -0.0081822 0.0081822), wk = 0.0022321 k( 275) = ( 0.0163643 -0.0163643 0.0163643), wk = 0.0022321 k( 276) = ( 0.0245465 -0.0245465 0.0245465), wk = 0.0022321 k( 277) = ( 0.0327287 -0.0327287 0.0327287), wk = 0.0022321 k( 278) = ( 0.0409108 -0.0409108 0.0409108), wk = 0.0022321 k( 279) = ( 0.0490930 -0.0490930 0.0490930), wk = 0.0022321 k( 280) = ( 0.0572752 -0.0572752 0.0572752), wk = 0.0022321 k( 281) = ( 0.0654574 -0.0654574 0.0654574), wk = 0.0022321 k( 282) = ( 0.0736395 -0.0736395 0.0736395), wk = 0.0022321 k( 283) = ( 0.0818217 -0.0818217 0.0818217), wk = 0.0022321 k( 284) = ( 0.0900039 -0.0900039 0.0900039), wk = 0.0022321 k( 285) = ( 0.0981860 -0.0981861 0.0981861), wk = 0.0022321 k( 286) = ( 0.1063682 -0.1063682 0.1063682), wk = 0.0022321 k( 287) = ( 0.1145504 -0.1145504 0.1145504), wk = 0.0022321 k( 288) = ( 0.1227326 -0.1227326 0.1227326), wk = 0.0022321 k( 289) = ( 0.1309147 -0.1309147 0.1309147), wk = 0.0022321 k( 290) = ( 0.1390969 -0.1390969 0.1390969), wk = 0.0022321 k( 291) = ( 0.1472791 -0.1472791 0.1472791), wk = 0.0022321 k( 292) = ( 0.1554612 -0.1554612 0.1554612), wk = 0.0022321 k( 293) = ( 0.1636434 -0.1636434 0.1636434), wk = 0.0022321 k( 294) = ( 0.1718256 -0.1718256 0.1718256), wk = 0.0022321 k( 295) = ( 0.1800078 -0.1800078 0.1800078), wk = 0.0022321 k( 296) = ( 0.1881899 -0.1881899 0.1881899), wk = 0.0022321 k( 297) = ( 0.1963721 -0.1963721 0.1963721), wk = 0.0022321 k( 298) = ( 0.2045543 -0.2045543 0.2045543), wk = 0.0022321 k( 299) = ( 0.2127364 -0.2127364 0.2127364), wk = 0.0022321 k( 300) = ( 0.2209186 -0.2209186 0.2209186), wk = 0.0022321 k( 301) = ( 0.2291008 -0.2291008 0.2291008), wk = 0.0022321 k( 302) = ( 0.2372829 -0.2372830 0.2372830), wk = 0.0022321 k( 303) = ( 0.2454651 -0.2454651 0.2454651), wk = 0.0022321 k( 304) = ( 0.2536473 -0.2536473 0.2536473), wk = 0.0022321 k( 305) = ( 0.2618295 -0.2618295 0.2618295), wk = 0.0022321 k( 306) = ( 0.2700116 -0.2700116 0.2700116), wk = 0.0022321 k( 307) = ( 0.2781938 -0.2781938 0.2781938), wk = 0.0022321 k( 308) = ( 0.2863760 -0.2863760 0.2863760), wk = 0.0022321 k( 309) = ( 0.2945582 -0.2945582 0.2945582), wk = 0.0022321 k( 310) = ( 0.3027403 -0.3027403 0.3027403), wk = 0.0022321 k( 311) = ( 0.3109225 -0.3109225 0.3109225), wk = 0.0022321 k( 312) = ( 0.3191047 -0.3191047 0.3191047), wk = 0.0022321 k( 313) = ( 0.3272868 -0.3272868 0.3272868), wk = 0.0022321 k( 314) = ( 0.3354690 -0.3354690 0.3354690), wk = 0.0022321 k( 315) = ( 0.3436512 -0.3436512 0.3436512), wk = 0.0022321 k( 316) = ( 0.3518333 -0.3518333 0.3518333), wk = 0.0022321 k( 317) = ( 0.3600155 -0.3600155 0.3600155), wk = 0.0022321 k( 318) = ( 0.3681977 -0.3681977 0.3681977), wk = 0.0022321 k( 319) = ( 0.3763799 -0.3763799 0.3763799), wk = 0.0022321 k( 320) = ( 0.3845620 -0.3845620 0.3845620), wk = 0.0022321 k( 321) = ( 0.3927442 -0.3927442 0.3927442), wk = 0.0022321 k( 322) = ( 0.4009264 -0.4009264 0.4009264), wk = 0.0022321 k( 323) = ( 0.4091085 -0.4091085 0.4091085), wk = 0.0022321 k( 324) = ( 0.4172907 -0.4172907 0.4172907), wk = 0.0022321 k( 325) = ( 0.4254729 -0.4254729 0.4254729), wk = 0.0022321 k( 326) = ( 0.4254729 -0.4254729 0.4254729), wk = 0.0022321 k( 327) = ( 0.4276648 -0.4129590 0.4129590), wk = 0.0022321 k( 328) = ( 0.4298568 -0.4004451 0.4004451), wk = 0.0022321 k( 329) = ( 0.4320488 -0.3879312 0.3879312), wk = 0.0022321 k( 330) = ( 0.4342408 -0.3754172 0.3754173), wk = 0.0022321 k( 331) = ( 0.4364327 -0.3629033 0.3629033), wk = 0.0022321 k( 332) = ( 0.4386247 -0.3503894 0.3503894), wk = 0.0022321 k( 333) = ( 0.4408167 -0.3378755 0.3378755), wk = 0.0022321 k( 334) = ( 0.4430087 -0.3253616 0.3253616), wk = 0.0022321 k( 335) = ( 0.4452006 -0.3128477 0.3128477), wk = 0.0022321 k( 336) = ( 0.4473926 -0.3003338 0.3003338), wk = 0.0022321 k( 337) = ( 0.4495846 -0.2878199 0.2878199), wk = 0.0022321 k( 338) = ( 0.4517766 -0.2753060 0.2753060), wk = 0.0022321 k( 339) = ( 0.4539685 -0.2627921 0.2627921), wk = 0.0022321 k( 340) = ( 0.4561605 -0.2502782 0.2502782), wk = 0.0022321 k( 341) = ( 0.4583525 -0.2377643 0.2377643), wk = 0.0022321 k( 342) = ( 0.4605445 -0.2252504 0.2252504), wk = 0.0022321 k( 343) = ( 0.4627364 -0.2127364 0.2127364), wk = 0.0022321 k( 344) = ( 0.4649284 -0.2002225 0.2002225), wk = 0.0022321 k( 345) = ( 0.4671204 -0.1877086 0.1877086), wk = 0.0022321 k( 346) = ( 0.4693124 -0.1751947 0.1751947), wk = 0.0022321 k( 347) = ( 0.4715043 -0.1626808 0.1626808), wk = 0.0022321 k( 348) = ( 0.4736963 -0.1501669 0.1501669), wk = 0.0022321 k( 349) = ( 0.4758883 -0.1376530 0.1376530), wk = 0.0022321 k( 350) = ( 0.4780803 -0.1251391 0.1251391), wk = 0.0022321 k( 351) = ( 0.4802722 -0.1126252 0.1126252), wk = 0.0022321 k( 352) = ( 0.4824642 -0.1001113 0.1001113), wk = 0.0022321 k( 353) = ( 0.4846562 -0.0875974 0.0875974), wk = 0.0022321 k( 354) = ( 0.4868482 -0.0750835 0.0750835), wk = 0.0022321 k( 355) = ( 0.4890401 -0.0625695 0.0625695), wk = 0.0022321 k( 356) = ( 0.4912321 -0.0500556 0.0500556), wk = 0.0022321 k( 357) = ( 0.4934241 -0.0375417 0.0375417), wk = 0.0022321 k( 358) = ( 0.4956160 -0.0250278 0.0250278), wk = 0.0022321 k( 359) = ( 0.4978080 -0.0125139 0.0125139), wk = 0.0022321 k( 360) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022321 k( 361) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022321 k( 362) = ( 0.4944444 0.0055556 0.0055556), wk = 0.0022321 k( 363) = ( 0.4888889 0.0111111 0.0111111), wk = 0.0022321 k( 364) = ( 0.4833333 0.0166667 0.0166667), wk = 0.0022321 k( 365) = ( 0.4777778 0.0222222 0.0222222), wk = 0.0022321 k( 366) = ( 0.4722222 0.0277778 0.0277778), wk = 0.0022321 k( 367) = ( 0.4666667 0.0333333 0.0333333), wk = 0.0022321 k( 368) = ( 0.4611111 0.0388889 0.0388889), wk = 0.0022321 k( 369) = ( 0.4555556 0.0444444 0.0444444), wk = 0.0022321 k( 370) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0022321 k( 371) = ( 0.4444444 0.0555556 0.0555556), wk = 0.0022321 k( 372) = ( 0.4388889 0.0611111 0.0611111), wk = 0.0022321 k( 373) = ( 0.4333333 0.0666667 0.0666667), wk = 0.0022321 k( 374) = ( 0.4277778 0.0722222 0.0722222), wk = 0.0022321 k( 375) = ( 0.4222222 0.0777778 0.0777778), wk = 0.0022321 k( 376) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0022321 k( 377) = ( 0.4111111 0.0888889 0.0888889), wk = 0.0022321 k( 378) = ( 0.4055556 0.0944444 0.0944444), wk = 0.0022321 k( 379) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0022321 k( 380) = ( 0.3944444 0.1055556 0.1055556), wk = 0.0022321 k( 381) = ( 0.3888889 0.1111111 0.1111111), wk = 0.0022321 k( 382) = ( 0.3833333 0.1166667 0.1166667), wk = 0.0022321 k( 383) = ( 0.3777778 0.1222222 0.1222222), wk = 0.0022321 k( 384) = ( 0.3722222 0.1277778 0.1277778), wk = 0.0022321 k( 385) = ( 0.3666667 0.1333333 0.1333333), wk = 0.0022321 k( 386) = ( 0.3611111 0.1388889 0.1388889), wk = 0.0022321 k( 387) = ( 0.3555556 0.1444444 0.1444444), wk = 0.0022321 k( 388) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0022321 k( 389) = ( 0.3444444 0.1555556 0.1555556), wk = 0.0022321 k( 390) = ( 0.3388889 0.1611111 0.1611111), wk = 0.0022321 k( 391) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0022321 k( 392) = ( 0.3277778 0.1722222 0.1722222), wk = 0.0022321 k( 393) = ( 0.3222222 0.1777778 0.1777778), wk = 0.0022321 k( 394) = ( 0.3166667 0.1833333 0.1833333), wk = 0.0022321 k( 395) = ( 0.3111111 0.1888889 0.1888889), wk = 0.0022321 k( 396) = ( 0.3055556 0.1944444 0.1944444), wk = 0.0022321 k( 397) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0022321 k( 398) = ( 0.2944444 0.2055556 0.2055556), wk = 0.0022321 k( 399) = ( 0.2888889 0.2111111 0.2111111), wk = 0.0022321 k( 400) = ( 0.2833333 0.2166667 0.2166667), wk = 0.0022321 k( 401) = ( 0.2777778 0.2222222 0.2222222), wk = 0.0022321 k( 402) = ( 0.2722222 0.2277778 0.2277778), wk = 0.0022321 k( 403) = ( 0.2666667 0.2333333 0.2333333), wk = 0.0022321 k( 404) = ( 0.2611111 0.2388889 0.2388889), wk = 0.0022321 k( 405) = ( 0.2555556 0.2444444 0.2444444), wk = 0.0022321 k( 406) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022321 k( 407) = ( 0.2571849 -0.2571849 0.5937608), wk = 0.0022321 k( 408) = ( 0.2627945 -0.2627945 0.5881512), wk = 0.0022321 k( 409) = ( 0.2684041 -0.2684041 0.5825416), wk = 0.0022321 k( 410) = ( 0.2740137 -0.2740137 0.5769320), wk = 0.0022321 k( 411) = ( 0.2796233 -0.2796233 0.5713224), wk = 0.0022321 k( 412) = ( 0.2852329 -0.2852329 0.5657128), wk = 0.0022321 k( 413) = ( 0.2908425 -0.2908425 0.5601032), wk = 0.0022321 k( 414) = ( 0.2964521 -0.2964521 0.5544937), wk = 0.0022321 k( 415) = ( 0.3020617 -0.3020617 0.5488841), wk = 0.0022321 k( 416) = ( 0.3076713 -0.3076713 0.5432744), wk = 0.0022321 k( 417) = ( 0.3132809 -0.3132809 0.5376648), wk = 0.0022321 k( 418) = ( 0.3188905 -0.3188905 0.5320552), wk = 0.0022321 k( 419) = ( 0.3245001 -0.3245001 0.5264457), wk = 0.0022321 k( 420) = ( 0.3301097 -0.3301097 0.5208360), wk = 0.0022321 k( 421) = ( 0.3357193 -0.3357193 0.5152265), wk = 0.0022321 k( 422) = ( 0.3413289 -0.3413289 0.5096169), wk = 0.0022321 k( 423) = ( 0.3469385 -0.3469385 0.5040073), wk = 0.0022321 k( 424) = ( 0.3525481 -0.3525481 0.4983977), wk = 0.0022321 k( 425) = ( 0.3581577 -0.3581577 0.4927881), wk = 0.0022321 k( 426) = ( 0.3637673 -0.3637673 0.4871785), wk = 0.0022321 k( 427) = ( 0.3693769 -0.3693769 0.4815689), wk = 0.0022321 k( 428) = ( 0.3749865 -0.3749865 0.4759593), wk = 0.0022321 k( 429) = ( 0.3805961 -0.3805961 0.4703497), wk = 0.0022321 k( 430) = ( 0.3862057 -0.3862057 0.4647401), wk = 0.0022321 k( 431) = ( 0.3918153 -0.3918153 0.4591305), wk = 0.0022321 k( 432) = ( 0.3974249 -0.3974249 0.4535209), wk = 0.0022321 k( 433) = ( 0.4030345 -0.4030345 0.4479113), wk = 0.0022321 k( 434) = ( 0.4086441 -0.4086441 0.4423017), wk = 0.0022321 k( 435) = ( 0.4142537 -0.4142537 0.4366921), wk = 0.0022321 k( 436) = ( 0.4198633 -0.4198633 0.4310825), wk = 0.0022321 k( 437) = ( 0.4254729 -0.4254729 0.4254729), wk = 0.0022321 k( 438) = ( 0.5745271 0.4254729 -0.4254729), wk = 0.0022321 k( 439) = ( 0.5670744 0.4329256 -0.4329256), wk = 0.0022321 k( 440) = ( 0.5596217 0.4403783 -0.4403783), wk = 0.0022321 k( 441) = ( 0.5521690 0.4478310 -0.4478310), wk = 0.0022321 k( 442) = ( 0.5447163 0.4552837 -0.4552837), wk = 0.0022321 k( 443) = ( 0.5372636 0.4627364 -0.4627364), wk = 0.0022321 k( 444) = ( 0.5298109 0.4701892 -0.4701892), wk = 0.0022321 k( 445) = ( 0.5223581 0.4776419 -0.4776419), wk = 0.0022321 k( 446) = ( 0.5149054 0.4850946 -0.4850946), wk = 0.0022321 k( 447) = ( 0.5074527 0.4925473 -0.4925473), wk = 0.0022321 k( 448) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022321 Dense grid: 37377 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 16527 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 90, 36) NL pseudopotentials 0.05 Mb ( 45, 76) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 778) G-vector shells 0.01 Mb ( 736) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.20 Mb ( 90, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 0.08 Mb ( 76, 2, 36) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./AgNO2.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.9 secs Computing kpt #: 2 total cpu time spent up to now is 43.8 secs Computing kpt #: 3 total cpu time spent up to now is 45.1 secs Computing kpt #: 4 total cpu time spent up to now is 46.2 secs Computing kpt #: 5 total cpu time spent up to now is 47.3 secs Computing kpt #: 6 total cpu time spent up to now is 48.2 secs Computing kpt #: 7 total cpu time spent up to now is 49.3 secs Computing kpt #: 8 total cpu time spent up to now is 50.1 secs Computing kpt #: 9 total cpu time spent up to now is 51.3 secs Computing kpt #: 10 total cpu time spent up to now is 52.1 secs Computing kpt #: 11 total cpu time spent up to now is 52.9 secs Computing kpt #: 12 total cpu time spent up to now is 53.7 secs Computing kpt #: 13 total cpu time spent up to now is 54.5 secs Computing kpt #: 14 total cpu time spent up to now is 55.5 secs Computing kpt #: 15 total cpu time spent up to now is 56.3 secs Computing kpt #: 16 total cpu time spent up to now is 57.2 secs Computing kpt #: 17 total cpu time spent up to now is 58.1 secs Computing kpt #: 18 total cpu time spent up to now is 59.1 secs Computing kpt #: 19 total cpu time spent up to now is 60.0 secs Computing kpt #: 20 total cpu time spent up to now is 61.0 secs Computing kpt #: 21 total cpu time spent up to now is 61.8 secs Computing kpt #: 22 total cpu time spent up to now is 62.7 secs Computing kpt #: 23 total cpu time spent up to now is 63.5 secs Computing kpt #: 24 total cpu time spent up to now is 64.2 secs Computing kpt #: 25 total cpu time spent up to now is 64.9 secs Computing kpt #: 26 total cpu time spent up to now is 65.6 secs Computing kpt #: 27 total cpu time spent up to now is 66.3 secs Computing kpt #: 28 total cpu time spent up to now is 67.1 secs Computing kpt #: 29 total cpu time spent up to now is 67.8 secs Computing kpt #: 30 total cpu time spent up to now is 68.6 secs Computing kpt #: 31 total cpu time spent up to now is 69.3 secs Computing kpt #: 32 total cpu time spent up to now is 70.0 secs Computing kpt #: 33 total cpu time spent up to now is 70.8 secs Computing kpt #: 34 total cpu time spent up to now is 71.5 secs Computing kpt #: 35 total cpu time spent up to now is 72.3 secs Computing kpt #: 36 total cpu time spent up to now is 73.0 secs Computing kpt #: 37 total cpu time spent up to now is 73.7 secs Computing kpt #: 38 total cpu time spent up to now is 74.5 secs Computing kpt #: 39 total cpu time spent up to now is 75.1 secs Computing kpt #: 40 total cpu time spent up to now is 75.8 secs Computing kpt #: 41 total cpu time spent up to now is 76.4 secs Computing kpt #: 42 total cpu time spent up to now is 77.0 secs Computing kpt #: 43 total cpu time spent up to now is 77.6 secs Computing kpt #: 44 total cpu time spent up to now is 78.2 secs Computing kpt #: 45 total cpu time spent up to now is 78.9 secs Computing kpt #: 46 total cpu time spent up to now is 79.7 secs Computing kpt #: 47 total cpu time spent up to now is 80.4 secs Computing kpt #: 48 total cpu time spent up to now is 81.0 secs Computing kpt #: 49 total cpu time spent up to now is 81.6 secs Computing kpt #: 50 total cpu time spent up to now is 82.2 secs Computing kpt #: 51 total cpu time spent up to now is 82.9 secs Computing kpt #: 52 total cpu time spent up to now is 83.5 secs Computing kpt #: 53 total cpu time spent up to now is 84.1 secs Computing kpt #: 54 total cpu time spent up to now is 84.7 secs Computing kpt #: 55 total cpu time spent up to now is 85.5 secs Computing kpt #: 56 total cpu time spent up to now is 86.2 secs Computing kpt #: 57 total cpu time spent up to now is 86.8 secs Computing kpt #: 58 total cpu time spent up to now is 87.4 secs Computing kpt #: 59 total cpu time spent up to now is 88.0 secs Computing kpt #: 60 total cpu time spent up to now is 88.6 secs Computing kpt #: 61 total cpu time spent up to now is 89.2 secs Computing kpt #: 62 total cpu time spent up to now is 89.8 secs Computing kpt #: 63 total cpu time spent up to now is 90.4 secs Computing kpt #: 64 total cpu time spent up to now is 91.0 secs Computing kpt #: 65 total cpu time spent up to now is 91.7 secs Computing kpt #: 66 total cpu time spent up to now is 92.4 secs Computing kpt #: 67 total cpu time spent up to now is 93.0 secs Computing kpt #: 68 total cpu time spent up to now is 93.6 secs Computing kpt #: 69 total cpu time spent up to now is 94.2 secs Computing kpt #: 70 total cpu time spent up to now is 94.8 secs Computing kpt #: 71 total cpu time spent up to now is 95.4 secs Computing kpt #: 72 total cpu time spent up to now is 96.1 secs Computing kpt #: 73 total cpu time spent up to now is 96.8 secs Computing kpt #: 74 total cpu time spent up to now is 97.5 secs Computing kpt #: 75 total cpu time spent up to now is 98.3 secs Computing kpt #: 76 total cpu time spent up to now is 99.1 secs Computing kpt #: 77 total cpu time spent up to now is 99.7 secs Computing kpt #: 78 total cpu time spent up to now is 100.7 secs Computing kpt #: 79 total cpu time spent up to now is 101.4 secs Computing kpt #: 80 total cpu time spent up to now is 102.2 secs Computing kpt #: 81 total cpu time spent up to now is 103.1 secs Computing kpt #: 82 total cpu time spent up to now is 103.9 secs Computing kpt #: 83 total cpu time spent up to now is 104.6 secs Computing kpt #: 84 total cpu time spent up to now is 105.2 secs Computing kpt #: 85 total cpu time spent up to now is 105.9 secs Computing kpt #: 86 total cpu time spent up to now is 106.6 secs Computing kpt #: 87 total cpu time spent up to now is 107.3 secs Computing kpt #: 88 total cpu time spent up to now is 108.0 secs Computing kpt #: 89 total cpu time spent up to now is 108.6 secs Computing kpt #: 90 total cpu time spent up to now is 109.4 secs Computing kpt #: 91 total cpu time spent up to now is 110.1 secs Computing kpt #: 92 total cpu time spent up to now is 110.8 secs Computing kpt #: 93 total cpu time spent up to now is 111.5 secs Computing kpt #: 94 total cpu time spent up to now is 112.3 secs Computing kpt #: 95 total cpu time spent up to now is 113.0 secs Computing kpt #: 96 total cpu time spent up to now is 113.7 secs Computing kpt #: 97 total cpu time spent up to now is 114.5 secs Computing kpt #: 98 total cpu time spent up to now is 115.2 secs Computing kpt #: 99 total cpu time spent up to now is 116.0 secs Computing kpt #: 100 total cpu time spent up to now is 116.8 secs Computing kpt #: 101 total cpu time spent up to now is 117.6 secs Computing kpt #: 102 total cpu time spent up to now is 118.4 secs Computing kpt #: 103 total cpu time spent up to now is 119.2 secs Computing kpt #: 104 total cpu time spent up to now is 119.9 secs Computing kpt #: 105 total cpu time spent up to now is 120.6 secs Computing kpt #: 106 total cpu time spent up to now is 121.3 secs Computing kpt #: 107 total cpu time spent up to now is 122.0 secs Computing kpt #: 108 total cpu time spent up to now is 122.7 secs Computing kpt #: 109 total cpu time spent up to now is 123.4 secs Computing kpt #: 110 total cpu time spent up to now is 124.0 secs Computing kpt #: 111 total cpu time spent up to now is 124.6 secs Computing kpt #: 112 total cpu time spent up to now is 125.3 secs Computing kpt #: 113 total cpu time spent up to now is 125.9 secs Computing kpt #: 114 total cpu time spent up to now is 126.5 secs Computing kpt #: 115 total cpu time spent up to now is 127.3 secs Computing kpt #: 116 total cpu time spent up to now is 127.9 secs Computing kpt #: 117 total cpu time spent up to now is 128.7 secs Computing kpt #: 118 total cpu time spent up to now is 129.3 secs Computing kpt #: 119 total cpu time spent up to now is 129.9 secs Computing kpt #: 120 total cpu time spent up to now is 130.6 secs Computing kpt #: 121 total cpu time spent up to now is 131.2 secs Computing kpt #: 122 total cpu time spent up to now is 131.8 secs Computing kpt #: 123 total cpu time spent up to now is 132.4 secs Computing kpt #: 124 total cpu time spent up to now is 133.0 secs Computing kpt #: 125 total cpu time spent up to now is 133.7 secs Computing kpt #: 126 total cpu time spent up to now is 134.3 secs Computing kpt #: 127 total cpu time spent up to now is 134.9 secs Computing kpt #: 128 total cpu time spent up to now is 135.5 secs Computing kpt #: 129 total cpu time spent up to now is 136.1 secs Computing kpt #: 130 total cpu time spent up to now is 136.7 secs Computing kpt #: 131 total cpu time spent up to now is 137.3 secs Computing kpt #: 132 total cpu time spent up to now is 137.9 secs Computing kpt #: 133 total cpu time spent up to now is 138.5 secs Computing kpt #: 134 total cpu time spent up to now is 139.1 secs Computing kpt #: 135 total cpu time spent up to now is 139.7 secs Computing kpt #: 136 total cpu time spent up to now is 140.3 secs Computing kpt #: 137 total cpu time spent up to now is 141.0 secs Computing kpt #: 138 total cpu time spent up to now is 141.6 secs Computing kpt #: 139 total cpu time spent up to now is 142.2 secs Computing kpt #: 140 total cpu time spent up to now is 142.9 secs Computing kpt #: 141 total cpu time spent up to now is 143.5 secs Computing kpt #: 142 total cpu time spent up to now is 144.1 secs Computing kpt #: 143 total cpu time spent up to now is 144.7 secs Computing kpt #: 144 total cpu time spent up to now is 145.4 secs Computing kpt #: 145 total cpu time spent up to now is 146.0 secs Computing kpt #: 146 total cpu time spent up to now is 146.6 secs Computing kpt #: 147 total cpu time spent up to now is 147.2 secs Computing kpt #: 148 total cpu time spent up to now is 147.9 secs Computing kpt #: 149 total cpu time spent up to now is 148.5 secs Computing kpt #: 150 total cpu time spent up to now is 149.1 secs Computing kpt #: 151 total cpu time spent up to now is 149.8 secs Computing kpt #: 152 total cpu time spent up to now is 150.4 secs Computing kpt #: 153 total cpu time spent up to now is 151.0 secs Computing kpt #: 154 total cpu time spent up to now is 151.7 secs Computing kpt #: 155 total cpu time spent up to now is 152.6 secs Computing kpt #: 156 total cpu time spent up to now is 153.2 secs Computing kpt #: 157 total cpu time spent up to now is 153.8 secs Computing kpt #: 158 total cpu time spent up to now is 154.4 secs Computing kpt #: 159 total cpu time spent up to now is 155.2 secs Computing kpt #: 160 total cpu time spent up to now is 155.8 secs Computing kpt #: 161 total cpu time spent up to now is 156.4 secs Computing kpt #: 162 total cpu time spent up to now is 157.3 secs Computing kpt #: 163 total cpu time spent up to now is 158.0 secs Computing kpt #: 164 total cpu time spent up to now is 158.7 secs Computing kpt #: 165 total cpu time spent up to now is 159.3 secs Computing kpt #: 166 total cpu time spent up to now is 160.1 secs Computing kpt #: 167 total cpu time spent up to now is 160.8 secs Computing kpt #: 168 total cpu time spent up to now is 161.4 secs Computing kpt #: 169 total cpu time spent up to now is 162.1 secs Computing kpt #: 170 total cpu time spent up to now is 162.8 secs Computing kpt #: 171 total cpu time spent up to now is 163.5 secs Computing kpt #: 172 total cpu time spent up to now is 164.1 secs Computing kpt #: 173 total cpu time spent up to now is 164.9 secs Computing kpt #: 174 total cpu time spent up to now is 165.5 secs Computing kpt #: 175 total cpu time spent up to now is 166.1 secs Computing kpt #: 176 total cpu time spent up to now is 166.8 secs Computing kpt #: 177 total cpu time spent up to now is 167.4 secs Computing kpt #: 178 total cpu time spent up to now is 168.1 secs Computing kpt #: 179 total cpu time spent up to now is 168.9 secs Computing kpt #: 180 total cpu time spent up to now is 169.6 secs Computing kpt #: 181 total cpu time spent up to now is 170.3 secs Computing kpt #: 182 total cpu time spent up to now is 171.0 secs Computing kpt #: 183 total cpu time spent up to now is 171.7 secs Computing kpt #: 184 total cpu time spent up to now is 172.3 secs Computing kpt #: 185 total cpu time spent up to now is 172.9 secs Computing kpt #: 186 total cpu time spent up to now is 173.5 secs Computing kpt #: 187 total cpu time spent up to now is 174.1 secs Computing kpt #: 188 total cpu time spent up to now is 174.7 secs Computing kpt #: 189 total cpu time spent up to now is 175.4 secs Computing kpt #: 190 total cpu time spent up to now is 175.9 secs Computing kpt #: 191 total cpu time spent up to now is 176.5 secs Computing kpt #: 192 total cpu time spent up to now is 177.2 secs Computing kpt #: 193 total cpu time spent up to now is 177.8 secs Computing kpt #: 194 total cpu time spent up to now is 178.4 secs Computing kpt #: 195 total cpu time spent up to now is 179.0 secs Computing kpt #: 196 total cpu time spent up to now is 179.6 secs Computing kpt #: 197 total cpu time spent up to now is 180.2 secs Computing kpt #: 198 total cpu time spent up to now is 180.8 secs Computing kpt #: 199 total cpu time spent up to now is 181.6 secs Computing kpt #: 200 total cpu time spent up to now is 182.3 secs Computing kpt #: 201 total cpu time spent up to now is 183.0 secs Computing kpt #: 202 total cpu time spent up to now is 183.7 secs Computing kpt #: 203 total cpu time spent up to now is 184.4 secs Computing kpt #: 204 total cpu time spent up to now is 185.1 secs Computing kpt #: 205 total cpu time spent up to now is 185.8 secs Computing kpt #: 206 total cpu time spent up to now is 186.4 secs Computing kpt #: 207 total cpu time spent up to now is 187.2 secs Computing kpt #: 208 total cpu time spent up to now is 187.9 secs Computing kpt #: 209 total cpu time spent up to now is 188.6 secs Computing kpt #: 210 total cpu time spent up to now is 189.3 secs Computing kpt #: 211 total cpu time spent up to now is 190.0 secs Computing kpt #: 212 total cpu time spent up to now is 190.7 secs Computing kpt #: 213 total cpu time spent up to now is 191.4 secs Computing kpt #: 214 total cpu time spent up to now is 192.1 secs Computing kpt #: 215 total cpu time spent up to now is 193.3 secs Computing kpt #: 216 total cpu time spent up to now is 193.9 secs Computing kpt #: 217 total cpu time spent up to now is 194.6 secs Computing kpt #: 218 total cpu time spent up to now is 195.2 secs Computing kpt #: 219 total cpu time spent up to now is 195.8 secs Computing kpt #: 220 total cpu time spent up to now is 196.4 secs Computing kpt #: 221 total cpu time spent up to now is 197.1 secs Computing kpt #: 222 total cpu time spent up to now is 197.7 secs Computing kpt #: 223 total cpu time spent up to now is 198.5 secs Computing kpt #: 224 total cpu time spent up to now is 199.2 secs Computing kpt #: 225 total cpu time spent up to now is 200.0 secs Computing kpt #: 226 total cpu time spent up to now is 200.7 secs Computing kpt #: 227 total cpu time spent up to now is 201.4 secs Computing kpt #: 228 total cpu time spent up to now is 202.0 secs Computing kpt #: 229 total cpu time spent up to now is 202.7 secs Computing kpt #: 230 total cpu time spent up to now is 203.4 secs Computing kpt #: 231 total cpu time spent up to now is 204.0 secs Computing kpt #: 232 total cpu time spent up to now is 204.6 secs Computing kpt #: 233 total cpu time spent up to now is 205.3 secs Computing kpt #: 234 total cpu time spent up to now is 206.0 secs Computing kpt #: 235 total cpu time spent up to now is 206.6 secs Computing kpt #: 236 total cpu time spent up to now is 207.1 secs Computing kpt #: 237 total cpu time spent up to now is 207.7 secs Computing kpt #: 238 total cpu time spent up to now is 208.4 secs Computing kpt #: 239 total cpu time spent up to now is 209.0 secs Computing kpt #: 240 total cpu time spent up to now is 209.6 secs Computing kpt #: 241 total cpu time spent up to now is 210.1 secs Computing kpt #: 242 total cpu time spent up to now is 210.7 secs Computing kpt #: 243 total cpu time spent up to now is 211.4 secs Computing kpt #: 244 total cpu time spent up to now is 212.0 secs Computing kpt #: 245 total cpu time spent up to now is 212.6 secs Computing kpt #: 246 total cpu time spent up to now is 213.2 secs Computing kpt #: 247 total cpu time spent up to now is 213.7 secs Computing kpt #: 248 total cpu time spent up to now is 214.3 secs Computing kpt #: 249 total cpu time spent up to now is 214.9 secs Computing kpt #: 250 total cpu time spent up to now is 215.5 secs Computing kpt #: 251 total cpu time spent up to now is 216.1 secs Computing kpt #: 252 total cpu time spent up to now is 216.7 secs Computing kpt #: 253 total cpu time spent up to now is 217.3 secs Computing kpt #: 254 total cpu time spent up to now is 218.0 secs Computing kpt #: 255 total cpu time spent up to now is 218.7 secs Computing kpt #: 256 total cpu time spent up to now is 219.3 secs Computing kpt #: 257 total cpu time spent up to now is 220.1 secs Computing kpt #: 258 total cpu time spent up to now is 220.7 secs Computing kpt #: 259 total cpu time spent up to now is 221.3 secs Computing kpt #: 260 total cpu time spent up to now is 221.9 secs Computing kpt #: 261 total cpu time spent up to now is 222.6 secs Computing kpt #: 262 total cpu time spent up to now is 223.2 secs Computing kpt #: 263 total cpu time spent up to now is 223.9 secs Computing kpt #: 264 total cpu time spent up to now is 224.5 secs Computing kpt #: 265 total cpu time spent up to now is 225.1 secs Computing kpt #: 266 total cpu time spent up to now is 225.8 secs Computing kpt #: 267 total cpu time spent up to now is 226.5 secs Computing kpt #: 268 total cpu time spent up to now is 227.1 secs Computing kpt #: 269 total cpu time spent up to now is 227.8 secs Computing kpt #: 270 total cpu time spent up to now is 228.5 secs Computing kpt #: 271 total cpu time spent up to now is 229.3 secs Computing kpt #: 272 total cpu time spent up to now is 230.0 secs Computing kpt #: 273 total cpu time spent up to now is 230.8 secs Computing kpt #: 274 total cpu time spent up to now is 231.6 secs Computing kpt #: 275 total cpu time spent up to now is 232.3 secs Computing kpt #: 276 total cpu time spent up to now is 233.0 secs Computing kpt #: 277 total cpu time spent up to now is 233.7 secs Computing kpt #: 278 total cpu time spent up to now is 234.3 secs Computing kpt #: 279 total cpu time spent up to now is 235.0 secs Computing kpt #: 280 total cpu time spent up to now is 235.7 secs Computing kpt #: 281 total cpu time spent up to now is 236.4 secs Computing kpt #: 282 total cpu time spent up to now is 237.1 secs Computing kpt #: 283 total cpu time spent up to now is 237.8 secs Computing kpt #: 284 total cpu time spent up to now is 238.4 secs Computing kpt #: 285 total cpu time spent up to now is 239.0 secs Computing kpt #: 286 total cpu time spent up to now is 239.6 secs Computing kpt #: 287 total cpu time spent up to now is 240.2 secs Computing kpt #: 288 total cpu time spent up to now is 240.8 secs Computing kpt #: 289 total cpu time spent up to now is 241.4 secs Computing kpt #: 290 total cpu time spent up to now is 242.0 secs Computing kpt #: 291 total cpu time spent up to now is 242.6 secs Computing kpt #: 292 total cpu time spent up to now is 243.2 secs Computing kpt #: 293 total cpu time spent up to now is 243.8 secs Computing kpt #: 294 total cpu time spent up to now is 244.3 secs Computing kpt #: 295 total cpu time spent up to now is 244.9 secs Computing kpt #: 296 total cpu time spent up to now is 245.5 secs Computing kpt #: 297 total cpu time spent up to now is 246.0 secs Computing kpt #: 298 total cpu time spent up to now is 246.6 secs Computing kpt #: 299 total cpu time spent up to now is 247.2 secs Computing kpt #: 300 total cpu time spent up to now is 247.8 secs Computing kpt #: 301 total cpu time spent up to now is 248.4 secs Computing kpt #: 302 total cpu time spent up to now is 249.0 secs Computing kpt #: 303 total cpu time spent up to now is 249.7 secs Computing kpt #: 304 total cpu time spent up to now is 250.3 secs Computing kpt #: 305 total cpu time spent up to now is 250.8 secs Computing kpt #: 306 total cpu time spent up to now is 251.4 secs Computing kpt #: 307 total cpu time spent up to now is 252.0 secs Computing kpt #: 308 total cpu time spent up to now is 252.5 secs Computing kpt #: 309 total cpu time spent up to now is 253.2 secs Computing kpt #: 310 total cpu time spent up to now is 253.8 secs Computing kpt #: 311 total cpu time spent up to now is 254.5 secs Computing kpt #: 312 total cpu time spent up to now is 255.0 secs Computing kpt #: 313 total cpu time spent up to now is 255.6 secs Computing kpt #: 314 total cpu time spent up to now is 256.2 secs Computing kpt #: 315 total cpu time spent up to now is 256.7 secs Computing kpt #: 316 total cpu time spent up to now is 257.3 secs Computing kpt #: 317 total cpu time spent up to now is 258.0 secs Computing kpt #: 318 total cpu time spent up to now is 258.5 secs Computing kpt #: 319 total cpu time spent up to now is 259.3 secs Computing kpt #: 320 total cpu time spent up to now is 259.9 secs Computing kpt #: 321 total cpu time spent up to now is 260.5 secs Computing kpt #: 322 total cpu time spent up to now is 261.1 secs Computing kpt #: 323 total cpu time spent up to now is 261.7 secs Computing kpt #: 324 total cpu time spent up to now is 262.3 secs Computing kpt #: 325 total cpu time spent up to now is 262.9 secs Computing kpt #: 326 total cpu time spent up to now is 263.5 secs Computing kpt #: 327 total cpu time spent up to now is 264.1 secs Computing kpt #: 328 total cpu time spent up to now is 264.7 secs Computing kpt #: 329 total cpu time spent up to now is 265.3 secs Computing kpt #: 330 total cpu time spent up to now is 266.1 secs Computing kpt #: 331 total cpu time spent up to now is 266.8 secs Computing kpt #: 332 total cpu time spent up to now is 267.6 secs Computing kpt #: 333 total cpu time spent up to now is 268.2 secs Computing kpt #: 334 total cpu time spent up to now is 268.8 secs Computing kpt #: 335 total cpu time spent up to now is 269.4 secs Computing kpt #: 336 total cpu time spent up to now is 270.0 secs Computing kpt #: 337 total cpu time spent up to now is 270.6 secs Computing kpt #: 338 total cpu time spent up to now is 271.2 secs Computing kpt #: 339 total cpu time spent up to now is 271.9 secs Computing kpt #: 340 total cpu time spent up to now is 272.5 secs Computing kpt #: 341 total cpu time spent up to now is 273.1 secs Computing kpt #: 342 total cpu time spent up to now is 273.8 secs Computing kpt #: 343 total cpu time spent up to now is 274.4 secs Computing kpt #: 344 total cpu time spent up to now is 275.0 secs Computing kpt #: 345 total cpu time spent up to now is 275.7 secs Computing kpt #: 346 total cpu time spent up to now is 276.3 secs Computing kpt #: 347 total cpu time spent up to now is 276.9 secs Computing kpt #: 348 total cpu time spent up to now is 277.6 secs Computing kpt #: 349 total cpu time spent up to now is 278.3 secs Computing kpt #: 350 total cpu time spent up to now is 278.9 secs Computing kpt #: 351 total cpu time spent up to now is 279.6 secs Computing kpt #: 352 total cpu time spent up to now is 280.3 secs Computing kpt #: 353 total cpu time spent up to now is 281.0 secs Computing kpt #: 354 total cpu time spent up to now is 281.7 secs Computing kpt #: 355 total cpu time spent up to now is 282.4 secs Computing kpt #: 356 total cpu time spent up to now is 283.1 secs Computing kpt #: 357 total cpu time spent up to now is 283.8 secs Computing kpt #: 358 total cpu time spent up to now is 284.4 secs Computing kpt #: 359 total cpu time spent up to now is 285.1 secs Computing kpt #: 360 total cpu time spent up to now is 285.8 secs Computing kpt #: 361 total cpu time spent up to now is 286.4 secs Computing kpt #: 362 total cpu time spent up to now is 287.1 secs Computing kpt #: 363 total cpu time spent up to now is 287.7 secs Computing kpt #: 364 total cpu time spent up to now is 288.4 secs Computing kpt #: 365 total cpu time spent up to now is 289.1 secs Computing kpt #: 366 total cpu time spent up to now is 289.8 secs Computing kpt #: 367 total cpu time spent up to now is 290.5 secs Computing kpt #: 368 total cpu time spent up to now is 291.2 secs Computing kpt #: 369 total cpu time spent up to now is 291.9 secs Computing kpt #: 370 total cpu time spent up to now is 292.7 secs Computing kpt #: 371 total cpu time spent up to now is 293.4 secs Computing kpt #: 372 total cpu time spent up to now is 294.2 secs Computing kpt #: 373 total cpu time spent up to now is 295.0 secs Computing kpt #: 374 total cpu time spent up to now is 295.8 secs Computing kpt #: 375 total cpu time spent up to now is 296.7 secs Computing kpt #: 376 total cpu time spent up to now is 297.5 secs Computing kpt #: 377 total cpu time spent up to now is 298.3 secs Computing kpt #: 378 total cpu time spent up to now is 299.0 secs Computing kpt #: 379 total cpu time spent up to now is 299.8 secs Computing kpt #: 380 total cpu time spent up to now is 300.6 secs Computing kpt #: 381 total cpu time spent up to now is 301.5 secs Computing kpt #: 382 total cpu time spent up to now is 302.2 secs Computing kpt #: 383 total cpu time spent up to now is 302.9 secs Computing kpt #: 384 total cpu time spent up to now is 303.6 secs Computing kpt #: 385 total cpu time spent up to now is 304.2 secs Computing kpt #: 386 total cpu time spent up to now is 304.8 secs Computing kpt #: 387 total cpu time spent up to now is 305.4 secs Computing kpt #: 388 total cpu time spent up to now is 306.1 secs Computing kpt #: 389 total cpu time spent up to now is 306.7 secs Computing kpt #: 390 total cpu time spent up to now is 307.3 secs Computing kpt #: 391 total cpu time spent up to now is 307.9 secs Computing kpt #: 392 total cpu time spent up to now is 308.5 secs Computing kpt #: 393 total cpu time spent up to now is 309.1 secs Computing kpt #: 394 total cpu time spent up to now is 309.7 secs Computing kpt #: 395 total cpu time spent up to now is 310.3 secs Computing kpt #: 396 total cpu time spent up to now is 310.9 secs Computing kpt #: 397 total cpu time spent up to now is 311.5 secs Computing kpt #: 398 total cpu time spent up to now is 312.1 secs Computing kpt #: 399 total cpu time spent up to now is 312.7 secs Computing kpt #: 400 total cpu time spent up to now is 313.4 secs Computing kpt #: 401 total cpu time spent up to now is 314.0 secs Computing kpt #: 402 total cpu time spent up to now is 314.7 secs Computing kpt #: 403 total cpu time spent up to now is 315.3 secs Computing kpt #: 404 total cpu time spent up to now is 315.9 secs Computing kpt #: 405 total cpu time spent up to now is 316.5 secs Computing kpt #: 406 total cpu time spent up to now is 317.1 secs Computing kpt #: 407 total cpu time spent up to now is 317.7 secs Computing kpt #: 408 total cpu time spent up to now is 318.4 secs Computing kpt #: 409 total cpu time spent up to now is 319.0 secs Computing kpt #: 410 total cpu time spent up to now is 319.6 secs Computing kpt #: 411 total cpu time spent up to now is 320.3 secs Computing kpt #: 412 total cpu time spent up to now is 320.9 secs Computing kpt #: 413 total cpu time spent up to now is 321.5 secs Computing kpt #: 414 total cpu time spent up to now is 322.1 secs Computing kpt #: 415 total cpu time spent up to now is 322.7 secs Computing kpt #: 416 total cpu time spent up to now is 323.4 secs Computing kpt #: 417 total cpu time spent up to now is 324.0 secs Computing kpt #: 418 total cpu time spent up to now is 324.6 secs Computing kpt #: 419 total cpu time spent up to now is 325.5 secs Computing kpt #: 420 total cpu time spent up to now is 326.2 secs Computing kpt #: 421 total cpu time spent up to now is 326.9 secs Computing kpt #: 422 total cpu time spent up to now is 327.5 secs Computing kpt #: 423 total cpu time spent up to now is 328.2 secs Computing kpt #: 424 total cpu time spent up to now is 328.8 secs Computing kpt #: 425 total cpu time spent up to now is 329.5 secs Computing kpt #: 426 total cpu time spent up to now is 330.1 secs Computing kpt #: 427 total cpu time spent up to now is 330.8 secs Computing kpt #: 428 total cpu time spent up to now is 331.4 secs Computing kpt #: 429 total cpu time spent up to now is 332.0 secs Computing kpt #: 430 total cpu time spent up to now is 332.7 secs Computing kpt #: 431 total cpu time spent up to now is 333.3 secs Computing kpt #: 432 total cpu time spent up to now is 333.9 secs Computing kpt #: 433 total cpu time spent up to now is 334.5 secs Computing kpt #: 434 total cpu time spent up to now is 335.1 secs Computing kpt #: 435 total cpu time spent up to now is 335.7 secs Computing kpt #: 436 total cpu time spent up to now is 336.3 secs Computing kpt #: 437 total cpu time spent up to now is 337.0 secs Computing kpt #: 438 total cpu time spent up to now is 337.7 secs Computing kpt #: 439 total cpu time spent up to now is 338.2 secs Computing kpt #: 440 total cpu time spent up to now is 338.8 secs Computing kpt #: 441 total cpu time spent up to now is 339.4 secs Computing kpt #: 442 total cpu time spent up to now is 340.0 secs Computing kpt #: 443 total cpu time spent up to now is 340.6 secs Computing kpt #: 444 total cpu time spent up to now is 341.2 secs Computing kpt #: 445 total cpu time spent up to now is 341.9 secs Computing kpt #: 446 total cpu time spent up to now is 343.0 secs Computing kpt #: 447 total cpu time spent up to now is 344.1 secs Computing kpt #: 448 total cpu time spent up to now is 345.2 secs ethr = 3.57E-11, avg # of iterations = 20.7 total cpu time spent up to now is 345.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2045 PWs) bands (ev): -22.5682 -22.5682 -17.9830 -17.9830 -5.6859 -5.6859 -3.6357 -3.6357 -3.5021 -3.5021 -3.4854 -3.4854 0.9805 0.9805 1.1438 1.1438 1.9576 1.9576 2.5536 2.5536 2.8719 2.8719 3.5527 3.5527 3.8208 3.8208 4.4380 4.4380 8.2723 8.2723 8.5221 8.5221 14.2212 14.2212 14.7558 14.7558 k =-0.0055 0.0055 0.0114 ( 2049 PWs) bands (ev): -22.5682 -22.5682 -17.9830 -17.9830 -5.6859 -5.6857 -3.6369 -3.6355 -3.5021 -3.5020 -3.4862 -3.4847 0.9764 0.9815 1.1437 1.1466 1.9566 1.9591 2.5526 2.5555 2.8708 2.8723 3.5437 3.5609 3.8130 3.8294 4.4384 4.4387 8.2690 8.2714 8.5232 8.5249 14.2229 14.2229 14.7559 14.7562 k =-0.0111 0.0109 0.0228 ( 2053 PWs) bands (ev): -22.5680 -22.5680 -17.9830 -17.9830 -5.6855 -5.6853 -3.6391 -3.6364 -3.5020 -3.5019 -3.4870 -3.4841 0.9695 0.9792 1.1464 1.1517 1.9559 1.9610 2.5525 2.5584 2.8692 2.8721 3.5342 3.5682 3.8059 3.8385 4.4399 4.4406 8.2617 8.2663 8.5282 8.5314 14.2280 14.2281 14.7564 14.7570 k =-0.0166 0.0164 0.0341 ( 2049 PWs) bands (ev): -22.5678 -22.5678 -17.9830 -17.9830 -5.6849 -5.6845 -3.6424 -3.6384 -3.5018 -3.5016 -3.4878 -3.4836 0.9603 0.9741 1.1516 1.1587 1.9556 1.9634 2.5534 2.5623 2.8670 2.8715 3.5243 3.5745 3.8001 3.8481 4.4427 4.4437 8.2510 8.2575 8.5366 8.5410 14.2364 14.2366 14.7573 14.7583 k =-0.0221 0.0218 0.0455 ( 2049 PWs) bands (ev): -22.5674 -22.5674 -17.9830 -17.9830 -5.6839 -5.6834 -3.6467 -3.6414 -3.5015 -3.5011 -3.4885 -3.4831 0.9495 0.9665 1.1588 1.1670 1.9558 1.9661 2.5552 2.5672 2.8643 2.8702 3.5140 3.5793 3.7954 3.8579 4.4465 4.4479 8.2376 8.2456 8.5479 8.5532 14.2483 14.2484 14.7586 14.7599 k =-0.0276 0.0273 0.0569 ( 2049 PWs) bands (ev): -22.5670 -22.5669 -17.9830 -17.9830 -5.6828 -5.6821 -3.6520 -3.6456 -3.5011 -3.5006 -3.4892 -3.4826 0.9374 0.9570 1.1675 1.1760 1.9563 1.9692 2.5578 2.5730 2.8611 2.8684 3.5037 3.5827 3.7923 3.8679 4.4516 4.4532 8.2220 8.2313 8.5613 8.5673 14.2634 14.2635 14.7602 14.7618 k =-0.0332 0.0327 0.0683 ( 2053 PWs) bands (ev): -22.5664 -22.5664 -17.9830 -17.9830 -5.6813 -5.6806 -3.6583 -3.6510 -3.5007 -3.5000 -3.4896 -3.4822 0.9244 0.9461 1.1772 1.1856 1.9571 1.9727 2.5611 2.5797 2.8574 2.8662 3.4932 3.5844 3.7907 3.8781 4.4579 4.4597 8.2047 8.2151 8.5764 8.5828 14.2817 14.2818 14.7622 14.7641 k =-0.0387 0.0382 0.0796 ( 2055 PWs) bands (ev): -22.5658 -22.5657 -17.9830 -17.9830 -5.6796 -5.6787 -3.6657 -3.6575 -3.5002 -3.4992 -3.4899 -3.4818 0.9107 0.9342 1.1875 1.1954 1.9583 1.9766 2.5651 2.5873 2.8533 2.8635 3.4827 3.5845 3.7908 3.8883 4.4653 4.4673 8.1862 8.1975 8.5927 8.5994 14.3030 14.3033 14.7644 14.7667 k =-0.0442 0.0436 0.0910 ( 2055 PWs) bands (ev): -22.5650 -22.5650 -17.9830 -17.9830 -5.6776 -5.6766 -3.6740 -3.6652 -3.4996 -3.4984 -3.4899 -3.4812 0.8967 0.9215 1.1981 1.2053 1.9599 1.9809 2.5697 2.5956 2.8489 2.8604 3.4723 3.5829 3.7925 3.8985 4.4739 4.4760 8.1668 8.1788 8.6100 8.6168 14.3273 14.3279 14.7670 14.7695 k =-0.0498 0.0491 0.1024 ( 2067 PWs) bands (ev): -22.5642 -22.5642 -17.9830 -17.9830 -5.6754 -5.6743 -3.6834 -3.6741 -3.4990 -3.4974 -3.4896 -3.4807 0.8824 0.9084 1.2088 1.2150 1.9617 1.9854 2.5747 2.6046 2.8441 2.8568 3.4621 3.5797 3.7956 3.9086 4.4837 4.4859 8.1466 8.1593 8.6280 8.6348 14.3542 14.3552 14.7697 14.7726 k =-0.0553 0.0545 0.1138 ( 2067 PWs) bands (ev): -22.5633 -22.5632 -17.9831 -17.9831 -5.6730 -5.6718 -3.6937 -3.6840 -3.4983 -3.4964 -3.4891 -3.4800 0.8681 0.8950 1.2196 1.2246 1.9639 1.9904 2.5800 2.6142 2.8393 2.8532 3.4521 3.5753 3.8003 3.9188 4.4946 4.4968 8.1260 8.1392 8.6465 8.6533 14.3835 14.3851 14.7728 14.7760 k =-0.0608 0.0600 0.1251 ( 2067 PWs) bands (ev): -22.5623 -22.5622 -17.9831 -17.9831 -5.6703 -5.6690 -3.7050 -3.6950 -3.4976 -3.4953 -3.4883 -3.4792 0.8537 0.8815 1.2301 1.2338 1.9663 1.9955 2.5855 2.6243 2.8343 2.8495 3.4424 3.5697 3.8061 3.9289 4.5067 4.5089 8.1050 8.1187 8.6655 8.6723 14.4148 14.4172 14.7763 14.7798 k =-0.0663 0.0654 0.1365 ( 2067 PWs) bands (ev): -22.5612 -22.5611 -17.9831 -17.9831 -5.6675 -5.6660 -3.7172 -3.7070 -3.4967 -3.4940 -3.4874 -3.4783 0.8395 0.8680 1.2404 1.2426 1.9689 2.0011 2.5911 2.6347 2.8295 2.8458 3.4330 3.5631 3.8127 3.9388 4.5199 4.5220 8.0837 8.0979 8.6848 8.6915 14.4476 14.4510 14.7805 14.7844 k =-0.0719 0.0709 0.1479 ( 2073 PWs) bands (ev): -22.5600 -22.5600 -17.9832 -17.9832 -5.6644 -5.6628 -3.7302 -3.7199 -3.4956 -3.4928 -3.4863 -3.4772 0.8254 0.8545 1.2503 1.2510 1.9718 2.0068 2.5964 2.6452 2.8248 2.8421 3.4241 3.5559 3.8201 3.9485 4.5343 4.5362 8.0623 8.0769 8.7045 8.7111 14.4810 14.4856 14.7857 14.7901 k =-0.0774 0.0763 0.1593 ( 2073 PWs) bands (ev): -22.5588 -22.5587 -17.9833 -17.9833 -5.6612 -5.6594 -3.7439 -3.7337 -3.4945 -3.4914 -3.4850 -3.4760 0.8117 0.8413 1.2590 1.2599 1.9749 2.0128 2.6014 2.6557 2.8205 2.8389 3.4156 3.5481 3.8280 3.9581 4.5498 4.5515 8.0408 8.0558 8.7245 8.7310 14.5136 14.5197 14.7930 14.7977 k =-0.0829 0.0818 0.1707 ( 2069 PWs) bands (ev): -22.5575 -22.5574 -17.9833 -17.9833 -5.6578 -5.6559 -3.7584 -3.7482 -3.4932 -3.4900 -3.4836 -3.4747 0.7983 0.8283 1.2665 1.2690 1.9783 2.0191 2.6058 2.6658 2.8167 2.8363 3.4075 3.5399 3.8364 3.9675 4.5664 4.5679 8.0194 8.0347 8.7447 8.7512 14.5435 14.5514 14.8035 14.8083 k =-0.0885 0.0872 0.1820 ( 2069 PWs) bands (ev): -22.5561 -22.5561 -17.9835 -17.9834 -5.6542 -5.6522 -3.7735 -3.7634 -3.4918 -3.4885 -3.4821 -3.4733 0.7853 0.8156 1.2734 1.2777 1.9817 2.0254 2.6094 2.6752 2.8136 2.8346 3.4001 3.5315 3.8450 3.9767 4.5840 4.5852 7.9980 8.0136 8.7653 8.7717 14.5678 14.5774 14.8191 14.8234 k =-0.0940 0.0927 0.1934 ( 2069 PWs) bands (ev): -22.5547 -22.5546 -17.9836 -17.9836 -5.6505 -5.6484 -3.7891 -3.7793 -3.4902 -3.4870 -3.4805 -3.4717 0.7727 0.8034 1.2799 1.2859 1.9852 2.0320 2.6121 2.6835 2.8113 2.8340 3.3931 3.5230 3.8538 3.9857 4.6027 4.6035 7.9768 7.9927 8.7862 8.7925 14.5831 14.5940 14.8413 14.8434 k =-0.0995 0.0981 0.2048 ( 2069 PWs) bands (ev): -22.5532 -22.5532 -17.9837 -17.9837 -5.6467 -5.6444 -3.8052 -3.7956 -3.4886 -3.4854 -3.4789 -3.4701 0.7607 0.7915 1.2858 1.2936 1.9888 2.0386 2.6136 2.6905 2.8098 2.8350 3.3867 3.5144 3.8626 3.9944 4.6224 4.6228 7.9558 7.9719 8.8074 8.8136 14.5848 14.5960 14.8632 14.8658 k =-0.1050 0.1036 0.2162 ( 2069 PWs) bands (ev): -22.5517 -22.5516 -17.9839 -17.9839 -5.6427 -5.6404 -3.8217 -3.8123 -3.4869 -3.4838 -3.4772 -3.4684 0.7493 0.7802 1.2913 1.3007 1.9926 2.0454 2.6140 2.6958 2.8093 2.8377 3.3810 3.5059 3.8713 4.0029 4.6430 4.6430 7.9351 7.9514 8.8291 8.8353 14.5657 14.5748 14.8371 14.8492 k =-0.1106 0.1090 0.2275 ( 2069 PWs) bands (ev): -22.5502 -22.5501 -17.9841 -17.9841 -5.6387 -5.6362 -3.8385 -3.8293 -3.4851 -3.4822 -3.4755 -3.4666 0.7384 0.7695 1.2962 1.3074 1.9964 2.0522 2.6132 2.6992 2.8098 2.8423 3.3759 3.4975 3.8800 4.0111 4.6640 4.6645 7.9147 7.9312 8.8513 8.8573 14.5136 14.5150 14.7668 14.7875 k =-0.1161 0.1145 0.2389 ( 2069 PWs) bands (ev): -22.5486 -22.5485 -17.9843 -17.9843 -5.6346 -5.6320 -3.8556 -3.8466 -3.4833 -3.4806 -3.4738 -3.4647 0.7283 0.7594 1.3006 1.3136 2.0002 2.0591 2.6112 2.7008 2.8111 2.8487 3.3713 3.4892 3.8886 4.0191 4.6858 4.6868 7.8947 7.9113 8.8741 8.8800 14.4112 14.4201 14.7212 14.7362 k =-0.1216 0.1199 0.2503 ( 2067 PWs) bands (ev): -22.5469 -22.5468 -17.9846 -17.9846 -5.6305 -5.6278 -3.8727 -3.8639 -3.4814 -3.4790 -3.4721 -3.4628 0.7188 0.7499 1.3046 1.3194 2.0041 2.0661 2.6081 2.7008 2.8132 2.8567 3.3674 3.4810 3.8970 4.0267 4.7082 4.7099 7.8751 7.8919 8.8974 8.9033 14.2796 14.2957 14.6934 14.7029 k =-0.1272 0.1254 0.2617 ( 2069 PWs) bands (ev): -22.5453 -22.5452 -17.9849 -17.9849 -5.6263 -5.6235 -3.8899 -3.8814 -3.4795 -3.4774 -3.4704 -3.4609 0.7101 0.7412 1.3080 1.3246 2.0081 2.0731 2.6041 2.6994 2.8158 2.8659 3.3640 3.4731 3.9051 4.0340 4.7313 4.7335 7.8559 7.8728 8.9215 8.9273 14.1353 14.1553 14.6718 14.6782 k =-0.1327 0.1308 0.2731 ( 2069 PWs) bands (ev): -22.5436 -22.5435 -17.9852 -17.9852 -5.6222 -5.6192 -3.9071 -3.8988 -3.4776 -3.4759 -3.4686 -3.4589 0.7021 0.7332 1.3111 1.3294 2.0120 2.0800 2.5994 2.6970 2.8190 2.8760 3.3612 3.4654 3.9129 4.0411 4.7548 4.7577 7.8373 7.8543 8.9464 8.9521 13.9853 14.0074 14.6516 14.6562 k =-0.1382 0.1363 0.2844 ( 2061 PWs) bands (ev): -22.5419 -22.5418 -17.9856 -17.9856 -5.6180 -5.6149 -3.9242 -3.9161 -3.4757 -3.4743 -3.4669 -3.4570 0.6951 0.7260 1.3137 1.3338 2.0160 2.0870 2.5941 2.6940 2.8224 2.8868 3.3590 3.4580 3.9206 4.0479 4.7786 4.7822 7.8193 7.8363 8.9723 8.9778 13.8330 13.8562 14.6307 14.6342 k =-0.1437 0.1417 0.2958 ( 2065 PWs) bands (ev): -22.5403 -22.5401 -17.9860 -17.9860 -5.6138 -5.6106 -3.9411 -3.9332 -3.4739 -3.4728 -3.4653 -3.4551 0.6888 0.7195 1.3160 1.3377 2.0199 2.0938 2.5883 2.6903 2.8259 2.8977 3.3573 3.4509 3.9279 4.0543 4.8026 4.8069 7.8018 7.8188 8.9991 9.0046 13.6804 13.7041 14.6082 14.6110 k =-0.1493 0.1472 0.3072 ( 2057 PWs) bands (ev): -22.5386 -22.5384 -17.9865 -17.9865 -5.6097 -5.6064 -3.9577 -3.9501 -3.4721 -3.4714 -3.4637 -3.4532 0.6835 0.7140 1.3180 1.3414 2.0238 2.1006 2.5824 2.6865 2.8296 2.9090 3.3560 3.4440 3.9348 4.0604 4.8266 4.8316 7.7849 7.8019 9.0272 9.0326 13.5285 13.5524 14.5838 14.5861 k =-0.1548 0.1526 0.3186 ( 2057 PWs) bands (ev): -22.5369 -22.5368 -17.9870 -17.9870 -5.6057 -5.6023 -3.9739 -3.9666 -3.4704 -3.4700 -3.4621 -3.4514 0.6791 0.7093 1.3196 1.3447 2.0277 2.1073 2.5763 2.6825 2.8331 2.9200 3.3550 3.4374 3.9413 4.0662 4.8504 4.8562 7.7687 7.7857 9.0566 9.0618 13.3782 13.4020 14.5572 14.5592 k =-0.1603 0.1581 0.3299 ( 2059 PWs) bands (ev): -22.5352 -22.5351 -17.9876 -17.9876 -5.6018 -5.5982 -3.9898 -3.9826 -3.4687 -3.4687 -3.4607 -3.4497 0.6756 0.7056 1.3210 1.3476 2.0316 2.1139 2.5702 2.6785 2.8364 2.9307 3.3544 3.4311 3.9475 4.0715 4.8738 4.8805 7.7532 7.7701 9.0875 9.0925 13.2300 13.2536 14.5283 14.5300 k =-0.1659 0.1635 0.3413 ( 2059 PWs) bands (ev): -22.5336 -22.5334 -17.9882 -17.9882 -5.5979 -5.5942 -4.0052 -3.9982 -3.4674 -3.4672 -3.4592 -3.4480 0.6731 0.7027 1.3221 1.3503 2.0355 2.1204 2.5641 2.6745 2.8395 2.9412 3.3541 3.4250 3.9532 4.0765 4.8967 4.9042 7.7384 7.7552 9.1200 9.1249 13.0845 13.1077 14.4970 14.4985 k =-0.1714 0.1690 0.3527 ( 2063 PWs) bands (ev): -22.5319 -22.5318 -17.9889 -17.9888 -5.5942 -5.5904 -4.0200 -4.0133 -3.4663 -3.4657 -3.4579 -3.4464 0.6716 0.7009 1.3230 1.3528 2.0393 2.1268 2.5583 2.6707 2.8424 2.9512 3.3539 3.4192 3.9585 4.0811 4.9188 4.9271 7.7244 7.7411 9.1544 9.1590 12.9419 12.9647 14.4633 14.4647 k =-0.1769 0.1744 0.3641 ( 2061 PWs) bands (ev): -22.5303 -22.5302 -17.9896 -17.9896 -5.5906 -5.5867 -4.0342 -4.0277 -3.4652 -3.4644 -3.4567 -3.4450 0.6711 0.7000 1.3238 1.3551 2.0432 2.1330 2.5528 2.6672 2.8450 2.9607 3.3540 3.4137 3.9634 4.0854 4.9399 4.9491 7.7111 7.7277 9.1906 9.1951 12.8026 12.8249 14.4272 14.4284 k =-0.1824 0.1799 0.3754 ( 2061 PWs) bands (ev): -22.5288 -22.5286 -17.9904 -17.9903 -5.5871 -5.5831 -4.0477 -4.0414 -3.4643 -3.4631 -3.4555 -3.4437 0.6717 0.7001 1.3245 1.3572 2.0470 2.1391 2.5477 2.6640 2.8474 2.9696 3.3541 3.4085 3.9679 4.0893 4.9597 4.9698 7.6986 7.7150 9.2291 9.2333 12.6669 12.6886 14.3887 14.3898 k =-0.1880 0.1853 0.3868 ( 2053 PWs) bands (ev): -22.5272 -22.5271 -17.9912 -17.9912 -5.5839 -5.5797 -4.0605 -4.0544 -3.4634 -3.4620 -3.4545 -3.4424 0.6733 0.7013 1.3251 1.3592 2.0510 2.1450 2.5430 2.6611 2.8495 2.9780 3.3543 3.4036 3.9720 4.0928 4.9780 4.9890 7.6870 7.7032 9.2698 9.2737 12.5349 12.5561 14.3479 14.3489 k =-0.1935 0.1908 0.3982 ( 2053 PWs) bands (ev): -22.5257 -22.5256 -17.9921 -17.9921 -5.5808 -5.5765 -4.0725 -4.0666 -3.4626 -3.4611 -3.4536 -3.4414 0.6759 0.7034 1.3257 1.3612 2.0548 2.1508 2.5388 2.6585 2.8512 2.9857 3.3545 3.3988 3.9755 4.0958 4.9946 5.0066 7.6762 7.6922 9.3130 9.3166 12.4069 12.4274 14.3047 14.3056 k =-0.1990 0.1962 0.4096 ( 2049 PWs) bands (ev): -22.5243 -22.5242 -17.9930 -17.9930 -5.5779 -5.5735 -4.0837 -4.0780 -3.4619 -3.4602 -3.4528 -3.4405 0.6797 0.7067 1.3262 1.3631 2.0588 2.1564 2.5350 2.6563 2.8527 2.9927 3.3547 3.3944 3.9787 4.0985 5.0093 5.0222 7.6663 7.6820 9.3588 9.3620 12.2831 12.3029 14.2593 14.2601 k =-0.2046 0.2017 0.4210 ( 2053 PWs) bands (ev): -22.5229 -22.5228 -17.9940 -17.9940 -5.5753 -5.5708 -4.0940 -4.0885 -3.4614 -3.4595 -3.4522 -3.4398 0.6845 0.7109 1.3268 1.3650 2.0626 2.1617 2.5318 2.6545 2.8538 2.9990 3.3547 3.3901 3.9813 4.1007 5.0218 5.0356 7.6573 7.6727 9.4073 9.4102 12.1636 12.1827 14.2117 14.2124 k =-0.2101 0.2071 0.4323 ( 2049 PWs) bands (ev): -22.5216 -22.5214 -17.9951 -17.9951 -5.5728 -5.5683 -4.1034 -4.0980 -3.4609 -3.4589 -3.4518 -3.4392 0.6903 0.7162 1.3275 1.3669 2.0666 2.1669 2.5292 2.6531 2.8547 3.0047 3.3547 3.3862 3.9835 4.1026 5.0319 5.0468 7.6491 7.6643 9.4586 9.4611 12.0485 12.0669 14.1620 14.1627 k =-0.2156 0.2126 0.4437 ( 2049 PWs) bands (ev): -22.5203 -22.5202 -17.9962 -17.9962 -5.5707 -5.5660 -4.1118 -4.1066 -3.4606 -3.4585 -3.4515 -3.4389 0.6973 0.7225 1.3282 1.3688 2.0707 2.1720 2.5272 2.6521 2.8553 3.0095 3.3545 3.3824 3.9852 4.1040 5.0395 5.0553 7.6419 7.6568 9.5129 9.5149 11.9381 11.9557 14.1103 14.1109 k =-0.2211 0.2180 0.4551 ( 2049 PWs) bands (ev): -22.5191 -22.5189 -17.9974 -17.9974 -5.5688 -5.5640 -4.1192 -4.1142 -3.4603 -3.4582 -3.4513 -3.4387 0.7053 0.7299 1.3291 1.3709 2.0747 2.1768 2.5258 2.6515 2.8557 3.0137 3.3541 3.3789 3.9864 4.1049 5.0444 5.0613 7.6357 7.6502 9.5701 9.5716 11.8323 11.8492 14.0568 14.0572 k =-0.2267 0.2235 0.4665 ( 2053 PWs) bands (ev): -22.5179 -22.5178 -17.9987 -17.9986 -5.5671 -5.5623 -4.1256 -4.1207 -3.4602 -3.4580 -3.4514 -3.4387 0.7144 0.7383 1.3301 1.3731 2.0788 2.1814 2.5250 2.6513 2.8557 3.0171 3.3535 3.3755 3.9871 4.1054 5.0465 5.0644 7.6303 7.6445 9.6302 9.6312 11.7315 11.7476 14.0014 14.0018 k =-0.2322 0.2289 0.4778 ( 2053 PWs) bands (ev): -22.5169 -22.5167 -18.0000 -17.9999 -5.5658 -5.5609 -4.1309 -4.1262 -3.4602 -3.4580 -3.4516 -3.4390 0.7245 0.7477 1.3313 1.3754 2.0829 2.1859 2.5249 2.6515 2.8556 3.0199 3.3527 3.3724 3.9873 4.1055 5.0458 5.0646 7.6259 7.6397 9.6932 9.6935 11.6357 11.6511 13.9443 13.9447 k =-0.2377 0.2344 0.4892 ( 2053 PWs) bands (ev): -22.5159 -22.5157 -18.0013 -18.0013 -5.5648 -5.5597 -4.1352 -4.1306 -3.4602 -3.4581 -3.4520 -3.4394 0.7356 0.7581 1.3327 1.3780 2.0872 2.1901 2.5254 2.6522 2.8553 3.0219 3.3517 3.3695 3.9871 4.1051 5.0421 5.0620 7.6225 7.6359 9.7585 9.7587 11.5452 11.5598 13.8857 13.8860 k =-0.2433 0.2398 0.5006 ( 2055 PWs) bands (ev): -22.5149 -22.5148 -18.0028 -18.0027 -5.5640 -5.5589 -4.1383 -4.1339 -3.4604 -3.4583 -3.4526 -3.4401 0.7478 0.7695 1.3343 1.3807 2.0914 2.1942 2.5265 2.6533 2.8547 3.0231 3.3503 3.3667 3.9864 4.1043 5.0356 5.0564 7.6201 7.6331 9.8257 9.8266 11.4602 11.4741 13.8256 13.8259 k =-0.2488 0.2453 0.5120 ( 2059 PWs) bands (ev): -22.5141 -22.5139 -18.0042 -18.0042 -5.5636 -5.5584 -4.1403 -4.1361 -3.4607 -3.4587 -3.4534 -3.4410 0.7610 0.7819 1.3362 1.3836 2.0958 2.1981 2.5282 2.6548 2.8539 3.0237 3.3487 3.3641 3.9851 4.1030 5.0262 5.0479 7.6186 7.6312 9.8948 9.8964 11.3811 11.3944 13.7643 13.7644 k =-0.2543 0.2507 0.5233 ( 2061 PWs) bands (ev): -22.5133 -22.5131 -18.0057 -18.0057 -5.5635 -5.5583 -4.1412 -4.1371 -3.4611 -3.4592 -3.4543 -3.4421 0.7752 0.7952 1.3383 1.3868 2.1001 2.2017 2.5305 2.6566 2.8529 3.0235 3.3469 3.3618 3.9834 4.1013 5.0140 5.0367 7.6181 7.6303 9.9650 9.9673 11.3085 11.3211 13.7017 13.7018 k =-0.2598 0.2562 0.5347 ( 2077 PWs) bands (ev): -22.5126 -22.5124 -18.0073 -18.0073 -5.5638 -5.5585 -4.1409 -4.1370 -3.4616 -3.4599 -3.4555 -3.4435 0.7903 0.8094 1.3407 1.3902 2.1045 2.2052 2.5332 2.6587 2.8516 3.0225 3.3446 3.3595 3.9811 4.0989 4.9990 5.0226 7.6185 7.6304 10.0354 10.0383 11.2432 11.2552 13.6381 13.6381 k =-0.2654 0.2616 0.5461 ( 2075 PWs) bands (ev): -22.5120 -22.5118 -18.0090 -18.0089 -5.5643 -5.5590 -4.1395 -4.1357 -3.4622 -3.4608 -3.4567 -3.4450 0.8063 0.8246 1.3434 1.3939 2.1090 2.2086 2.5367 2.6614 2.8503 3.0208 3.3421 3.3575 3.9783 4.0963 4.9816 5.0061 7.6200 7.6315 10.1045 10.1081 11.1864 11.1980 13.5735 13.5735 k =-0.2709 0.2671 0.5575 ( 2075 PWs) bands (ev): -22.5114 -22.5113 -18.0106 -18.0106 -5.5652 -5.5598 -4.1369 -4.1333 -3.4628 -3.4618 -3.4580 -3.4468 0.8232 0.8405 1.3464 1.3978 2.1135 2.2118 2.5406 2.6644 2.8487 3.0183 3.3393 3.3556 3.9751 4.0932 4.9618 4.9871 7.6225 7.6337 10.1703 10.1745 11.1399 11.1512 13.5080 13.5082 k =-0.2764 0.2725 0.5689 ( 2083 PWs) bands (ev): -22.5109 -22.5108 -18.0123 -18.0123 -5.5664 -5.5610 -4.1332 -4.1297 -3.4636 -3.4632 -3.4592 -3.4488 0.8410 0.8573 1.3496 1.4021 2.1179 2.2147 2.5448 2.6677 2.8470 3.0150 3.3362 3.3540 3.9714 4.0897 4.9399 4.9659 7.6260 7.6368 10.2300 10.2346 11.1061 11.1173 13.4419 13.4421 k =-0.2820 0.2780 0.5802 ( 2087 PWs) bands (ev): -22.5105 -22.5104 -18.0141 -18.0141 -5.5679 -5.5624 -4.1284 -4.1250 -3.4649 -3.4644 -3.4605 -3.4510 0.8596 0.8749 1.3532 1.4066 2.1224 2.2175 2.5496 2.6713 2.8451 3.0110 3.3327 3.3524 3.9671 4.0856 4.9160 4.9427 7.6305 7.6409 10.2802 10.2851 11.0881 11.0996 13.3752 13.3756 k =-0.2875 0.2834 0.5916 ( 2091 PWs) bands (ev): -22.5102 -22.5101 -18.0159 -18.0159 -5.5698 -5.5643 -4.1225 -4.1192 -3.4670 -3.4653 -3.4617 -3.4534 0.8789 0.8932 1.3571 1.4114 2.1269 2.2202 2.5547 2.6753 2.8431 3.0062 3.3288 3.3510 3.9624 4.0812 4.8905 4.9178 7.6360 7.6461 10.3172 10.3222 11.0891 11.1011 13.3081 13.3086 k =-0.2930 0.2889 0.6030 ( 2093 PWs) bands (ev): -22.5100 -22.5098 -18.0177 -18.0177 -5.5719 -5.5664 -4.1155 -4.1123 -3.4693 -3.4662 -3.4628 -3.4560 0.8990 0.9122 1.3613 1.4166 2.1314 2.2227 2.5601 2.6795 2.8410 3.0007 3.3247 3.3499 3.9572 4.0764 4.8635 4.8914 7.6424 7.6522 10.3388 10.3435 11.1109 11.1239 13.2406 13.2413 k =-0.2985 0.2943 0.6144 ( 2093 PWs) bands (ev): -22.5098 -22.5097 -18.0196 -18.0196 -5.5743 -5.5688 -4.1074 -4.1044 -3.4718 -3.4673 -3.4640 -3.4587 0.9198 0.9318 1.3657 1.4220 2.1359 2.2251 2.5657 2.6839 2.8388 2.9944 3.3202 3.3489 3.9515 4.0711 4.8354 4.8637 7.6499 7.6594 10.3447 10.3491 11.1533 11.1675 13.1730 13.1739 k =-0.3041 0.2998 0.6257 ( 2093 PWs) bands (ev): -22.5097 -22.5096 -18.0215 -18.0215 -5.5771 -5.5716 -4.0984 -4.0954 -3.4746 -3.4684 -3.4651 -3.4616 0.9412 0.9519 1.3705 1.4277 2.1403 2.2273 2.5714 2.6885 2.8366 2.9874 3.3155 3.3480 3.9453 4.0654 4.8063 4.8351 7.6584 7.6676 10.3372 10.3411 11.2135 11.2292 13.1054 13.1064 k =-0.3096 0.3052 0.6371 ( 2089 PWs) bands (ev): -22.5097 -22.5095 -18.0234 -18.0234 -5.5801 -5.5746 -4.0883 -4.0855 -3.4776 -3.4697 -3.4663 -3.4645 0.9632 0.9727 1.3756 1.4337 2.1447 2.2293 2.5771 2.6932 2.8344 2.9796 3.3104 3.3474 3.9387 4.0594 4.7767 4.8058 7.6679 7.6768 10.3195 10.3229 11.2877 11.3051 13.0378 13.0390 k =-0.3151 0.3107 0.6485 ( 2093 PWs) bands (ev): -22.5097 -22.5096 -18.0253 -18.0253 -5.5833 -5.5779 -4.0773 -4.0746 -3.4807 -3.4715 -3.4675 -3.4672 0.9856 0.9938 1.3809 1.4400 2.1489 2.2311 2.5826 2.6980 2.8322 2.9712 3.3050 3.3469 3.9315 4.0529 4.7467 4.7761 7.6784 7.6869 10.2947 10.2975 11.3722 11.3914 12.9704 12.9719 k =-0.3207 0.3161 0.6599 ( 2097 PWs) bands (ev): -22.5098 -22.5097 -18.0273 -18.0272 -5.5868 -5.5814 -4.0654 -4.0627 -3.4840 -3.4739 -3.4694 -3.4687 1.0085 1.0154 1.3865 1.4465 2.1530 2.2328 2.5879 2.7026 2.8302 2.9622 3.2993 3.3465 3.9239 4.0460 4.7167 4.7461 7.6898 7.6981 10.2651 10.2675 11.4638 11.4852 12.9033 12.9051 k =-0.3262 0.3216 0.6713 ( 2093 PWs) bands (ev): -22.5099 -22.5098 -18.0292 -18.0292 -5.5906 -5.5852 -4.0526 -4.0501 -3.4875 -3.4770 -3.4711 -3.4699 1.0319 1.0373 1.3923 1.4532 2.1571 2.2344 2.5928 2.7072 2.8286 2.9529 3.2935 3.3463 3.9159 4.0388 4.6868 4.7162 7.7022 7.7102 10.2326 10.2345 11.5601 11.5838 12.8367 12.8389 k =-0.3317 0.3270 0.6826 ( 2087 PWs) bands (ev): -22.5101 -22.5100 -18.0312 -18.0312 -5.5945 -5.5892 -4.0391 -4.0366 -3.4910 -3.4805 -3.4725 -3.4711 1.0555 1.0594 1.3984 1.4602 2.1610 2.2358 2.5970 2.7114 2.8273 2.9431 3.2875 3.3463 3.9075 4.0313 4.6573 4.6866 7.7155 7.7233 10.1982 10.1997 11.6591 11.6853 12.7707 12.7734 k =-0.3317 0.3270 0.6826 ( 2087 PWs) bands (ev): -22.5101 -22.5100 -18.0312 -18.0312 -5.5945 -5.5892 -4.0391 -4.0366 -3.4910 -3.4805 -3.4725 -3.4711 1.0555 1.0594 1.3984 1.4602 2.1610 2.2358 2.5970 2.7114 2.8273 2.9431 3.2875 3.3463 3.9075 4.0313 4.6573 4.6866 7.7155 7.7233 10.1982 10.1997 11.6591 11.6853 12.7707 12.7734 k =-0.3243 0.3197 0.6898 ( 2089 PWs) bands (ev): -22.5101 -22.5100 -18.0312 -18.0311 -5.5947 -5.5894 -4.0391 -4.0367 -3.4915 -3.4810 -3.4725 -3.4711 1.0554 1.0593 1.3987 1.4604 2.1626 2.2375 2.5973 2.7119 2.8276 2.9433 3.2874 3.3463 3.9067 4.0305 4.6573 4.6866 7.7147 7.7225 10.1964 10.1977 11.6595 11.6858 12.7723 12.7750 k =-0.3168 0.3123 0.6969 ( 2085 PWs) bands (ev): -22.5101 -22.5100 -18.0311 -18.0311 -5.5953 -5.5900 -4.0393 -4.0368 -3.4930 -3.4824 -3.4724 -3.4709 1.0551 1.0591 1.3996 1.4612 2.1675 2.2427 2.5984 2.7135 2.8286 2.9437 3.2872 3.3462 3.9045 4.0284 4.6576 4.6869 7.7123 7.7201 10.1908 10.1918 11.6606 11.6871 12.7772 12.7799 k =-0.3094 0.3050 0.7041 ( 2087 PWs) bands (ev): -22.5101 -22.5100 -18.0310 -18.0310 -5.5963 -5.5910 -4.0395 -4.0371 -3.4953 -3.4847 -3.4723 -3.4707 1.0546 1.0586 1.4010 1.4623 2.1754 2.2512 2.6000 2.7161 2.8302 2.9443 3.2869 3.3462 3.9009 4.0248 4.6580 4.6872 7.7083 7.7162 10.1815 10.1820 11.6624 11.6894 12.7852 12.7880 k =-0.3019 0.2977 0.7112 ( 2081 PWs) bands (ev): -22.5101 -22.5100 -18.0309 -18.0308 -5.5977 -5.5925 -4.0398 -4.0374 -3.4986 -3.4880 -3.4720 -3.4704 1.0539 1.0580 1.4031 1.4640 2.1865 2.2631 2.6023 2.7198 2.8325 2.9454 3.2865 3.3461 3.8959 4.0198 4.6586 4.6877 7.7028 7.7107 10.1684 10.1685 11.6651 11.6926 12.7964 12.7993 k =-0.2944 0.2903 0.7183 ( 2081 PWs) bands (ev): -22.5101 -22.5100 -18.0307 -18.0306 -5.5995 -5.5943 -4.0402 -4.0378 -3.5028 -3.4923 -3.4716 -3.4700 1.0529 1.0571 1.4057 1.4661 2.2004 2.2779 2.6051 2.7244 2.8356 2.9467 3.2860 3.3460 3.8895 4.0135 4.6595 4.6884 7.6957 7.7036 10.1510 10.1520 11.6686 11.6968 12.8107 12.8137 k =-0.2870 0.2830 0.7255 ( 2082 PWs) bands (ev): -22.5101 -22.5100 -18.0305 -18.0304 -5.6016 -5.5965 -4.0406 -4.0382 -3.5078 -3.4974 -3.4711 -3.4695 1.0517 1.0560 1.4089 1.4686 2.2170 2.2956 2.6086 2.7299 2.8395 2.9486 3.2853 3.3458 3.8819 4.0059 4.6604 4.6893 7.6870 7.6950 10.1299 10.1318 11.6730 11.7020 12.8280 12.8312 k =-0.2795 0.2756 0.7326 ( 2082 PWs) bands (ev): -22.5101 -22.5100 -18.0302 -18.0302 -5.6041 -5.5991 -4.0411 -4.0388 -3.5137 -3.5034 -3.4705 -3.4689 1.0502 1.0546 1.4128 1.4716 2.2360 2.3159 2.6127 2.7363 2.8444 2.9510 3.2845 3.3455 3.8731 3.9971 4.6616 4.6903 7.6768 7.6850 10.1051 10.1081 11.6784 11.7082 12.8484 12.8517 k =-0.2721 0.2683 0.7398 ( 2082 PWs) bands (ev): -22.5101 -22.5100 -18.0299 -18.0299 -5.6069 -5.6020 -4.0416 -4.0393 -3.5202 -3.5101 -3.4699 -3.4682 1.0484 1.0530 1.4172 1.4751 2.2572 2.3384 2.6174 2.7435 2.8504 2.9541 3.2836 3.3452 3.8633 3.9872 4.6630 4.6914 7.6652 7.6735 10.0770 10.0811 11.6849 11.7156 12.8716 12.8752 k =-0.2646 0.2609 0.7469 ( 2078 PWs) bands (ev): -22.5101 -22.5100 -18.0296 -18.0295 -5.6100 -5.6052 -4.0421 -4.0399 -3.5274 -3.5176 -3.4691 -3.4675 1.0463 1.0510 1.4223 1.4790 2.2802 2.3628 2.6227 2.7514 2.8578 2.9582 3.2826 3.3448 3.8526 3.9763 4.6646 4.6928 7.6522 7.6605 10.0455 10.0508 11.6924 11.7242 12.8977 12.9014 k =-0.2572 0.2536 0.7540 ( 2080 PWs) bands (ev): -22.5101 -22.5100 -18.0292 -18.0292 -5.6134 -5.6087 -4.0427 -4.0405 -3.5353 -3.5257 -3.4682 -3.4667 1.0438 1.0488 1.4279 1.4834 2.3047 2.3885 2.6285 2.7597 2.8666 2.9633 3.2814 3.3442 3.8411 3.9645 4.6665 4.6944 7.6378 7.6462 10.0109 10.0175 11.7012 11.7340 12.9264 12.9304 k =-0.2572 0.2536 0.7540 ( 2080 PWs) bands (ev): -22.5101 -22.5100 -18.0292 -18.0292 -5.6134 -5.6087 -4.0427 -4.0405 -3.5353 -3.5257 -3.4682 -3.4667 1.0438 1.0488 1.4279 1.4834 2.3047 2.3885 2.6285 2.7597 2.8666 2.9633 3.2814 3.3442 3.8411 3.9645 4.6665 4.6944 7.6378 7.6462 10.0109 10.0175 11.7012 11.7340 12.9264 12.9304 k =-0.2473 0.2438 0.7540 ( 2082 PWs) bands (ev): -22.5100 -22.5099 -18.0278 -18.0278 -5.6143 -5.6096 -4.0511 -4.0489 -3.5411 -3.5316 -3.4667 -3.4652 1.0288 1.0344 1.4296 1.4837 2.3254 2.4120 2.6336 2.7677 2.8762 2.9735 3.2834 3.3435 3.8355 3.9578 4.6837 4.7115 7.6150 7.6236 10.0009 10.0086 11.6533 11.6856 12.9910 12.9949 k =-0.2374 0.2341 0.7540 ( 2080 PWs) bands (ev): -22.5098 -22.5097 -18.0264 -18.0264 -5.6153 -5.6107 -4.0592 -4.0571 -3.5475 -3.5382 -3.4652 -3.4636 1.0139 1.0202 1.4318 1.4845 2.3466 2.4355 2.6394 2.7765 2.8874 2.9846 3.2851 3.3428 3.8294 3.9507 4.7006 4.7283 7.5913 7.6001 9.9896 9.9986 11.6064 11.6384 13.0574 13.0613 k =-0.2275 0.2243 0.7540 ( 2077 PWs) bands (ev): -22.5097 -22.5096 -18.0250 -18.0250 -5.6165 -5.6120 -4.0672 -4.0650 -3.5543 -3.5452 -3.4636 -3.4621 0.9992 1.0060 1.4344 1.4856 2.3679 2.4587 2.6460 2.7858 2.9006 2.9969 3.2866 3.3420 3.8231 3.9430 4.7173 4.7448 7.5667 7.5756 9.9773 9.9876 11.5607 11.5923 13.1254 13.1292 k =-0.2176 0.2146 0.7540 ( 2075 PWs) bands (ev): -22.5095 -22.5094 -18.0237 -18.0236 -5.6178 -5.6135 -4.0748 -4.0727 -3.5616 -3.5526 -3.4620 -3.4604 0.9847 0.9919 1.4374 1.4870 2.3891 2.4809 2.6535 2.7954 2.9159 3.0104 3.2879 3.3413 3.8165 3.9350 4.7336 4.7609 7.5413 7.5503 9.9642 9.9757 11.5162 11.5475 13.1947 13.1986 k =-0.2077 0.2048 0.7540 ( 2077 PWs) bands (ev): -22.5094 -22.5093 -18.0223 -18.0223 -5.6192 -5.6150 -4.0822 -4.0801 -3.5692 -3.5604 -3.4603 -3.4588 0.9704 0.9780 1.4408 1.4888 2.4098 2.5016 2.6619 2.8050 2.9337 3.0255 3.2890 3.3406 3.8099 3.9266 4.7493 4.7764 7.5153 7.5244 9.9504 9.9631 11.4730 11.5042 13.2652 13.2692 k =-0.1978 0.1951 0.7540 ( 2078 PWs) bands (ev): -22.5093 -22.5092 -18.0210 -18.0210 -5.6208 -5.6167 -4.0893 -4.0872 -3.5770 -3.5686 -3.4587 -3.4572 0.9564 0.9642 1.4445 1.4909 2.4298 2.5204 2.6711 2.8144 2.9541 3.0424 3.2897 3.3401 3.8033 3.9181 4.7644 4.7912 7.4888 7.4979 9.9362 9.9501 11.4313 11.4622 13.3366 13.3407 k =-0.1879 0.1853 0.7540 ( 2077 PWs) bands (ev): -22.5091 -22.5090 -18.0197 -18.0197 -5.6224 -5.6185 -4.0960 -4.0939 -3.5851 -3.5769 -3.4570 -3.4555 0.9428 0.9508 1.4484 1.4932 2.4490 2.5372 2.6809 2.8233 2.9774 3.0610 3.2903 3.3399 3.7968 3.9095 4.7788 4.8053 7.4619 7.4709 9.9217 9.9368 11.3911 11.4218 13.4087 13.4129 k =-0.1781 0.1755 0.7540 ( 2072 PWs) bands (ev): -22.5090 -22.5089 -18.0185 -18.0184 -5.6241 -5.6203 -4.1024 -4.1004 -3.5934 -3.5855 -3.4553 -3.4539 0.9296 0.9376 1.4527 1.4958 2.4672 2.5519 2.6910 2.8314 3.0034 3.0813 3.2907 3.3402 3.7906 3.9009 4.7923 4.8185 7.4348 7.4438 9.9071 9.9232 11.3526 11.3829 13.4812 13.4855 k =-0.1682 0.1658 0.7540 ( 2070 PWs) bands (ev): -22.5089 -22.5088 -18.0172 -18.0172 -5.6258 -5.6222 -4.1085 -4.1065 -3.6017 -3.5941 -3.4536 -3.4523 0.9168 0.9248 1.4572 1.4985 2.4844 2.5645 2.7012 2.8385 3.0320 3.1031 3.2910 3.3411 3.7847 3.8923 4.8048 4.8306 7.4077 7.4166 9.8926 9.9095 11.3158 11.3457 13.5537 13.5582 k =-0.1583 0.1560 0.7540 ( 2070 PWs) bands (ev): -22.5088 -22.5087 -18.0161 -18.0160 -5.6275 -5.6241 -4.1142 -4.1122 -3.6101 -3.6028 -3.4520 -3.4507 0.9045 0.9124 1.4619 1.5014 2.5004 2.5755 2.7111 2.8445 3.0629 3.1258 3.2911 3.3430 3.7791 3.8838 4.8163 4.8417 7.3808 7.3895 9.8782 9.8959 11.2808 11.3103 13.6260 13.6307 k =-0.1484 0.1463 0.7540 ( 2066 PWs) bands (ev): -22.5087 -22.5086 -18.0149 -18.0149 -5.6293 -5.6260 -4.1195 -4.1176 -3.6183 -3.6114 -3.4504 -3.4491 0.8927 0.9005 1.4667 1.5043 2.5153 2.5849 2.7207 2.8493 3.0955 3.1488 3.2912 3.3464 3.7741 3.8756 4.8268 4.8516 7.3543 7.3628 9.8642 9.8823 11.2477 11.2765 13.6977 13.7026 k =-0.1385 0.1365 0.7540 ( 2062 PWs) bands (ev): -22.5086 -22.5085 -18.0138 -18.0138 -5.6310 -5.6279 -4.1244 -4.1226 -3.6265 -3.6199 -3.4488 -3.4476 0.8815 0.8890 1.4717 1.5073 2.5292 2.5931 2.7298 2.8530 3.1293 3.1710 3.2915 3.3518 3.7696 3.8676 4.8361 4.8603 7.3285 7.3366 9.8505 9.8690 11.2165 11.2446 13.7684 13.7735 k =-0.1286 0.1268 0.7540 ( 2064 PWs) bands (ev): -22.5085 -22.5084 -18.0128 -18.0128 -5.6326 -5.6298 -4.1290 -4.1273 -3.6344 -3.6283 -3.4473 -3.4461 0.8708 0.8781 1.4766 1.5102 2.5420 2.6003 2.7383 2.8555 3.1633 3.1913 3.2923 3.3599 3.7657 3.8599 4.8442 4.8677 7.3034 7.3112 9.8374 9.8560 11.1874 11.2146 13.8377 13.8431 k =-0.1187 0.1170 0.7540 ( 2062 PWs) bands (ev): -22.5084 -22.5083 -18.0119 -18.0118 -5.6342 -5.6316 -4.1332 -4.1316 -3.6421 -3.6363 -3.4458 -3.4447 0.8608 0.8677 1.4816 1.5130 2.5538 2.6065 2.7463 2.8569 3.1962 3.2088 3.2944 3.3712 3.7625 3.8526 4.8510 4.8738 7.2793 7.2867 9.8248 9.8433 11.1604 11.1865 13.9052 13.9108 k =-0.1088 0.1073 0.7540 ( 2064 PWs) bands (ev): -22.5083 -22.5083 -18.0110 -18.0110 -5.6358 -5.6333 -4.1370 -4.1355 -3.6494 -3.6441 -3.4444 -3.4434 0.8515 0.8580 1.4866 1.5157 2.5645 2.6119 2.7538 2.8573 3.2227 3.2259 3.2995 3.3858 3.7601 3.8457 4.8568 4.8786 7.2565 7.2634 9.8130 9.8311 11.1355 11.1604 13.9704 13.9762 k =-0.0989 0.0975 0.7540 ( 2063 PWs) bands (ev): -22.5082 -22.5082 -18.0101 -18.0101 -5.6372 -5.6349 -4.1404 -4.1390 -3.6564 -3.6514 -3.4431 -3.4422 0.8429 0.8490 1.4914 1.5183 2.5745 2.6167 2.7609 2.8569 3.2331 3.2479 3.3115 3.4033 3.7585 3.8392 4.8613 4.8820 7.2351 7.2415 9.8020 9.8194 11.1128 11.1363 14.0328 14.0387 k =-0.0890 0.0878 0.7540 ( 2061 PWs) bands (ev): -22.5082 -22.5081 -18.0094 -18.0094 -5.6385 -5.6365 -4.1435 -4.1422 -3.6628 -3.6583 -3.4419 -3.4411 0.8350 0.8406 1.4961 1.5206 2.5835 2.6208 2.7677 2.8556 3.2406 3.2595 3.3326 3.4224 3.7579 3.8331 4.8649 4.8843 7.2152 7.2211 9.7918 9.8084 11.0924 11.1142 14.0919 14.0979 k =-0.0791 0.0780 0.7540 ( 2061 PWs) bands (ev): -22.5081 -22.5081 -18.0087 -18.0087 -5.6398 -5.6379 -4.1462 -4.1450 -3.6688 -3.6647 -3.4408 -3.4400 0.8279 0.8330 1.5007 1.5227 2.5917 2.6242 2.7743 2.8536 3.2457 3.2641 3.3591 3.4419 3.7582 3.8274 4.8675 4.8855 7.1971 7.2024 9.7826 9.7981 11.0743 11.0942 14.1470 14.1530 k =-0.0692 0.0683 0.7540 ( 2063 PWs) bands (ev): -22.5081 -22.5080 -18.0081 -18.0081 -5.6409 -5.6392 -4.1485 -4.1475 -3.6741 -3.6706 -3.4398 -3.4391 0.8217 0.8261 1.5049 1.5244 2.5991 2.6271 2.7805 2.8509 3.2493 3.2656 3.3865 3.4605 3.7595 3.8221 4.8694 4.8857 7.1809 7.1856 9.7744 9.7885 11.0584 11.0763 14.1976 14.2036 k =-0.0594 0.0585 0.7540 ( 2065 PWs) bands (ev): -22.5080 -22.5080 -18.0075 -18.0075 -5.6418 -5.6404 -4.1505 -4.1496 -3.6788 -3.6758 -3.4389 -3.4383 0.8162 0.8201 1.5090 1.5258 2.6056 2.6293 2.7866 2.8477 3.2518 3.2656 3.4129 3.4774 3.7618 3.8172 4.8706 4.8851 7.1666 7.1707 9.7673 9.7799 11.0449 11.0606 14.2432 14.2488 k =-0.0495 0.0488 0.7540 ( 2065 PWs) bands (ev): -22.5080 -22.5079 -18.0071 -18.0071 -5.6426 -5.6415 -4.1522 -4.1514 -3.6828 -3.6803 -3.4381 -3.4376 0.8116 0.8149 1.5127 1.5268 2.6115 2.6309 2.7926 2.8440 3.2537 3.2651 3.4370 3.4916 3.7651 3.8125 4.8715 4.8839 7.1544 7.1579 9.7614 9.7722 11.0336 11.0470 14.2830 14.2883 k =-0.0396 0.0390 0.7540 ( 2068 PWs) bands (ev): -22.5079 -22.5079 -18.0067 -18.0067 -5.6433 -5.6423 -4.1535 -4.1528 -3.6861 -3.6841 -3.4374 -3.4370 0.8079 0.8105 1.5160 1.5274 2.6165 2.6319 2.7984 2.8399 3.2551 3.2641 3.4585 3.5027 3.7691 3.8079 4.8721 4.8823 7.1444 7.1472 9.7567 9.7656 11.0247 11.0356 14.3167 14.3213 k =-0.0297 0.0293 0.7540 ( 2066 PWs) bands (ev): -22.5079 -22.5079 -18.0064 -18.0064 -5.6437 -5.6430 -4.1545 -4.1540 -3.6887 -3.6871 -3.4369 -3.4366 0.8051 0.8071 1.5190 1.5276 2.6209 2.6323 2.8041 2.8354 3.2564 3.2631 3.4767 3.5103 3.7738 3.8034 4.8727 4.8805 7.1367 7.1388 9.7533 9.7601 11.0181 11.0264 14.3437 14.3474 k =-0.0198 0.0195 0.7540 ( 2060 PWs) bands (ev): -22.5079 -22.5079 -18.0062 -18.0062 -5.6441 -5.6436 -4.1552 -4.1548 -3.6905 -3.6894 -3.4365 -3.4363 0.8031 0.8045 1.5216 1.5273 2.6245 2.6321 2.8098 2.8308 3.2575 3.2620 3.4916 3.5142 3.7789 3.7989 4.8734 4.8787 7.1312 7.1326 9.7512 9.7558 11.0138 11.0194 14.3635 14.3661 k =-0.0099 0.0098 0.7540 ( 2060 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0061 -5.6442 -5.6440 -4.1555 -4.1554 -3.6914 -3.6909 -3.4362 -3.4361 0.8021 0.8028 1.5237 1.5265 2.6274 2.6312 2.8153 2.8258 3.2587 3.2609 3.5029 3.5142 3.7841 3.7941 4.8743 4.8770 7.1281 7.1288 9.7504 9.7527 11.0118 11.0146 14.3758 14.3772 k = 0.0000 0.0000 0.7540 ( 2064 PWs) bands (ev): -22.5079 -22.5079 -18.0060 -18.0060 -5.6442 -5.6442 -4.1556 -4.1556 -3.6916 -3.6916 -3.4361 -3.4361 0.8020 0.8020 1.5253 1.5253 2.6296 2.6296 2.8206 2.8206 3.2597 3.2597 3.5104 3.5104 3.7892 3.7892 4.8755 4.8755 7.1272 7.1272 9.7509 9.7509 11.0121 11.0121 14.3804 14.3804 k = 0.0000 0.0000 0.7540 ( 2064 PWs) bands (ev): -22.5079 -22.5079 -18.0060 -18.0060 -5.6442 -5.6442 -4.1556 -4.1556 -3.6916 -3.6916 -3.4361 -3.4361 0.8020 0.8020 1.5253 1.5253 2.6296 2.6296 2.8206 2.8206 3.2597 3.2597 3.5104 3.5104 3.7892 3.7892 4.8755 4.8755 7.1272 7.1272 9.7509 9.7509 11.0121 11.0121 14.3804 14.3804 k = 0.0096 0.0098 0.7540 ( 2062 PWs) bands (ev): -22.5079 -22.5079 -18.0060 -18.0060 -5.6441 -5.6441 -4.1558 -4.1556 -3.6918 -3.6917 -3.4361 -3.4357 0.8008 0.8029 1.5225 1.5281 2.6283 2.6310 2.8127 2.8297 3.2551 3.2645 3.5065 3.5142 3.7845 3.7912 4.8751 4.8761 7.1274 7.1293 9.7514 9.7531 11.0096 11.0133 14.3355 14.3805 k = 0.0192 0.0195 0.7540 ( 2062 PWs) bands (ev): -22.5079 -22.5079 -18.0060 -18.0060 -5.6438 -5.6438 -4.1561 -4.1557 -3.6925 -3.6923 -3.4358 -3.4350 0.7995 0.8036 1.5196 1.5308 2.6269 2.6324 2.8061 2.8399 3.2508 3.2693 3.5022 3.5179 3.7772 3.7907 4.8751 4.8770 7.1299 7.1337 9.7548 9.7581 11.0057 11.0132 14.2696 14.3331 k = 0.0288 0.0293 0.7540 ( 2062 PWs) bands (ev): -22.5079 -22.5079 -18.0060 -18.0060 -5.6434 -5.6433 -4.1565 -4.1559 -3.6935 -3.6933 -3.4351 -3.4340 0.7980 0.8041 1.5169 1.5334 2.6256 2.6337 2.8009 2.8511 3.2469 3.2743 3.4976 3.5216 3.7675 3.7878 4.8752 4.8781 7.1346 7.1403 9.7610 9.7658 11.0005 11.0117 14.1956 14.2623 k = 0.0385 0.0390 0.7540 ( 2064 PWs) bands (ev): -22.5079 -22.5079 -18.0060 -18.0060 -5.6428 -5.6426 -4.1570 -4.1563 -3.6949 -3.6947 -3.4341 -3.4326 0.7962 0.8042 1.5144 1.5358 2.6242 2.6350 2.7970 2.8629 3.2433 3.2792 3.4926 3.5252 3.7553 3.7827 4.8756 4.8795 7.1415 7.1490 9.7697 9.7761 10.9939 11.0090 14.1186 14.1832 k = 0.0481 0.0488 0.7540 ( 2060 PWs) bands (ev): -22.5079 -22.5079 -18.0060 -18.0060 -5.6420 -5.6418 -4.1577 -4.1567 -3.6967 -3.6964 -3.4327 -3.4309 0.7942 0.8040 1.5123 1.5383 2.6229 2.6364 2.7944 2.8752 3.2404 3.2840 3.4870 3.5287 3.7410 3.7756 4.8763 4.8810 7.1505 7.1598 9.7810 9.7888 10.9860 11.0051 14.0408 14.1016 k = 0.0577 0.0585 0.7540 ( 2062 PWs) bands (ev): -22.5079 -22.5079 -18.0060 -18.0060 -5.6411 -5.6408 -4.1584 -4.1573 -3.6987 -3.6984 -3.4311 -3.4289 0.7920 0.8033 1.5109 1.5409 2.6216 2.6377 2.7929 2.8875 3.2381 3.2887 3.4805 3.5323 3.7248 3.7668 4.8771 4.8827 7.1615 7.1725 9.7947 9.8037 10.9768 11.0000 13.9636 14.0198 k = 0.0673 0.0683 0.7540 ( 2060 PWs) bands (ev): -22.5079 -22.5079 -18.0060 -18.0060 -5.6400 -5.6397 -4.1593 -4.1580 -3.7011 -3.7007 -3.4292 -3.4267 0.7894 0.8022 1.5102 1.5436 2.6205 2.6391 2.7924 2.8995 3.2366 3.2934 3.4731 3.5359 3.7069 3.7569 4.8782 4.8846 7.1743 7.1870 9.8104 9.8206 10.9664 10.9937 13.8876 13.9394 k = 0.0769 0.0780 0.7540 ( 2058 PWs) bands (ev): -22.5079 -22.5079 -18.0060 -18.0060 -5.6388 -5.6385 -4.1602 -4.1588 -3.7037 -3.7033 -3.4271 -3.4243 0.7865 0.8005 1.5105 1.5467 2.6193 2.6405 2.7928 2.9109 3.2359 3.2978 3.4646 3.5395 3.6876 3.7461 4.8794 4.8867 7.1887 7.2031 9.8281 9.8393 10.9546 10.9863 13.8136 13.8611 k = 0.0865 0.0878 0.7540 ( 2060 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6374 -5.6371 -4.1612 -4.1597 -3.7065 -3.7060 -3.4249 -3.4218 0.7833 0.7983 1.5118 1.5502 2.6182 2.6419 2.7940 2.9212 3.2363 3.3020 3.4546 3.5430 3.6674 3.7349 4.8807 4.8888 7.2046 7.2206 9.8473 9.8594 10.9418 10.9779 13.7421 13.7855 k = 0.0962 0.0975 0.7540 ( 2062 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6360 -5.6357 -4.1622 -4.1607 -3.7094 -3.7089 -3.4225 -3.4191 0.7797 0.7955 1.5143 1.5543 2.6171 2.6433 2.7958 2.9301 3.2377 3.3060 3.4430 3.5464 3.6467 3.7238 4.8822 4.8909 7.2218 7.2393 9.8679 9.8806 10.9278 10.9685 13.6733 13.7132 k = 0.1058 0.1073 0.7540 ( 2058 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6345 -5.6341 -4.1633 -4.1617 -3.7124 -3.7120 -3.4200 -3.4164 0.7758 0.7922 1.5181 1.5589 2.6161 2.6446 2.7982 2.9374 3.2402 3.3098 3.4300 3.5495 3.6259 3.7132 4.8837 4.8932 7.2400 7.2590 9.8896 9.9027 10.9128 10.9584 13.6077 13.6446 k = 0.1154 0.1170 0.7540 ( 2060 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6330 -5.6326 -4.1644 -4.1627 -3.7155 -3.7150 -3.4174 -3.4136 0.7715 0.7883 1.5231 1.5642 2.6150 2.6457 2.8008 2.9429 3.2437 3.3132 3.4154 3.5519 3.6059 3.7034 4.8853 4.8954 7.2590 7.2794 9.9118 9.9252 10.8971 10.9476 13.5455 13.5799 k = 0.1250 0.1268 0.7540 ( 2060 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6314 -5.6310 -4.1656 -4.1638 -3.7186 -3.7182 -3.4148 -3.4108 0.7669 0.7840 1.5293 1.5701 2.6139 2.6468 2.8038 2.9463 3.2479 3.3164 3.3997 3.5519 3.5886 3.6946 4.8869 4.8976 7.2786 7.3003 9.9345 9.9477 10.8806 10.9362 13.4871 13.5196 k = 0.1346 0.1365 0.7540 ( 2064 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6299 -5.6294 -4.1667 -4.1649 -3.7217 -3.7212 -3.4123 -3.4081 0.7622 0.7793 1.5365 1.5766 2.6128 2.6477 2.8070 2.9477 3.2527 3.3192 3.3832 3.5453 3.5786 3.6868 4.8885 4.8997 7.2984 7.3214 9.9572 9.9701 10.8637 10.9245 13.4325 13.4638 k = 0.1442 0.1463 0.7540 ( 2066 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6283 -5.6278 -4.1678 -4.1660 -3.7246 -3.7242 -3.4098 -3.4054 0.7573 0.7743 1.5448 1.5837 2.6116 2.6484 2.8103 2.9473 3.2578 3.3211 3.3669 3.5310 3.5773 3.6800 4.8900 4.9018 7.3181 7.3423 9.9795 9.9918 10.8465 10.9125 13.3820 13.4126 k = 0.1538 0.1560 0.7540 ( 2064 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6268 -5.6263 -4.1688 -4.1670 -3.7275 -3.7271 -3.4074 -3.4028 0.7523 0.7691 1.5538 1.5910 2.6104 2.6488 2.8138 2.9450 3.2628 3.3205 3.3532 3.5140 3.5798 3.6742 4.8916 4.9038 7.3375 7.3629 10.0012 10.0127 10.8293 10.9007 13.3357 13.3662 k = 0.1635 0.1658 0.7540 ( 2066 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6254 -5.6248 -4.1699 -4.1680 -3.7302 -3.7299 -3.4051 -3.4004 0.7474 0.7640 1.5633 1.5986 2.6092 2.6491 2.8173 2.9410 3.2674 3.3138 3.3462 3.4969 3.5838 3.6691 4.8930 4.9057 7.3563 7.3827 10.0219 10.0323 10.8125 10.8891 13.2938 13.3245 k = 0.1731 0.1755 0.7540 ( 2064 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6240 -5.6235 -4.1708 -4.1690 -3.7328 -3.7324 -3.4029 -3.3981 0.7427 0.7589 1.5732 1.6062 2.6079 2.6490 2.8210 2.9357 3.2712 3.3014 3.3462 3.4807 3.5884 3.6645 4.8944 4.9074 7.3741 7.4015 10.0413 10.0505 10.7962 10.8780 13.2563 13.2876 k = 0.1827 0.1853 0.7540 ( 2066 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6228 -5.6222 -4.1717 -4.1699 -3.7351 -3.7348 -3.4010 -3.3961 0.7382 0.7540 1.5830 1.6135 2.6066 2.6487 2.8248 2.9293 3.2740 3.2875 3.3495 3.4657 3.5934 3.6603 4.8956 4.9090 7.3907 7.4190 10.0592 10.0670 10.7808 10.8676 13.2233 13.2554 k = 0.1923 0.1951 0.7540 ( 2068 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6216 -5.6211 -4.1725 -4.1707 -3.7372 -3.7369 -3.3992 -3.3943 0.7341 0.7496 1.5925 1.6204 2.6054 2.6483 2.8288 2.9219 3.2722 3.2778 3.3542 3.4519 3.5986 3.6563 4.8967 4.9104 7.4058 7.4349 10.0752 10.0816 10.7667 10.8581 13.1948 13.2278 k = 0.2019 0.2048 0.7540 ( 2068 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6207 -5.6201 -4.1731 -4.1714 -3.7390 -3.7387 -3.3977 -3.3927 0.7305 0.7456 1.6013 1.6266 2.6042 2.6477 2.8330 2.9141 3.2609 3.2783 3.3597 3.4395 3.6040 3.6523 4.8977 4.9116 7.4190 7.4488 10.0892 10.0941 10.7540 10.8497 13.1707 13.2046 k = 0.2115 0.2146 0.7540 ( 2070 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6198 -5.6192 -4.1737 -4.1720 -3.7405 -3.7402 -3.3965 -3.3913 0.7274 0.7421 1.6092 1.6318 2.6032 2.6470 2.8375 2.9060 3.2507 3.2789 3.3656 3.4283 3.6094 3.6484 4.8985 4.9126 7.4302 7.4606 10.1009 10.1045 10.7433 10.8426 13.1512 13.1859 k = 0.2212 0.2243 0.7540 ( 2068 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0059 -5.6192 -5.6186 -4.1742 -4.1725 -3.7417 -3.7414 -3.3955 -3.3903 0.7249 0.7394 1.6159 1.6360 2.6023 2.6464 2.8421 2.8982 3.2426 3.2792 3.3720 3.4182 3.6149 3.6443 4.8991 4.9134 7.4392 7.4700 10.1101 10.1127 10.7346 10.8370 13.1360 13.1715 k = 0.2308 0.2341 0.7540 ( 2070 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6187 -5.6181 -4.1745 -4.1728 -3.7425 -3.7422 -3.3947 -3.3895 0.7231 0.7373 1.6209 1.6390 2.6016 2.6459 2.8466 2.8912 3.2367 3.2792 3.3786 3.4090 3.6202 3.6401 4.8996 4.9140 7.4457 7.4769 10.1168 10.1186 10.7282 10.8329 13.1253 13.1612 k = 0.2404 0.2438 0.7540 ( 2070 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6184 -5.6178 -4.1747 -4.1730 -3.7430 -3.7428 -3.3943 -3.3891 0.7220 0.7361 1.6241 1.6408 2.6012 2.6455 2.8503 2.8859 3.2331 3.2792 3.3855 3.4007 3.6252 3.6357 4.8998 4.9144 7.4497 7.4811 10.1207 10.1223 10.7243 10.8304 13.1188 13.1551 k = 0.2500 0.2536 0.7540 ( 2072 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6183 -5.6177 -4.1748 -4.1731 -3.7432 -3.7429 -3.3942 -3.3889 0.7216 0.7357 1.6251 1.6414 2.6011 2.6454 2.8518 2.8838 3.2319 3.2792 3.3916 3.3941 3.6286 3.6325 4.8999 4.9145 7.4510 7.4825 10.1220 10.1235 10.7230 10.8295 13.1167 13.1530 k = 0.2500 0.2536 0.7540 ( 2072 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6183 -5.6177 -4.1748 -4.1731 -3.7432 -3.7429 -3.3942 -3.3889 0.7216 0.7357 1.6251 1.6414 2.6011 2.6454 2.8518 2.8838 3.2319 3.2792 3.3916 3.3941 3.6286 3.6325 4.8999 4.9145 7.4510 7.4825 10.1220 10.1235 10.7230 10.8295 13.1167 13.1530 k = 0.2419 0.2615 0.7463 ( 2070 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6181 -5.6175 -4.1747 -4.1731 -3.7427 -3.7424 -3.3942 -3.3889 0.7217 0.7357 1.6241 1.6403 2.6006 2.6450 2.8522 2.8839 3.2326 3.2790 3.3919 3.3940 3.6249 3.6292 4.9024 4.9168 7.4516 7.4831 10.1237 10.1252 10.7221 10.8285 13.1182 13.1545 k = 0.2339 0.2695 0.7386 ( 2072 PWs) bands (ev): -22.5080 -22.5080 -18.0061 -18.0059 -5.6174 -5.6168 -4.1746 -4.1730 -3.7412 -3.7409 -3.3942 -3.3890 0.7219 0.7359 1.6211 1.6373 2.5991 2.6436 2.8534 2.8840 3.2346 3.2781 3.3926 3.3935 3.6142 3.6196 4.9095 4.9238 7.4535 7.4848 10.1289 10.1304 10.7193 10.8253 13.1229 13.1589 k = 0.2258 0.2774 0.7309 ( 2070 PWs) bands (ev): -22.5080 -22.5080 -18.0060 -18.0059 -5.6163 -5.6156 -4.1745 -4.1728 -3.7387 -3.7384 -3.3942 -3.3891 0.7222 0.7362 1.6161 1.6323 2.5966 2.6414 2.8555 2.8842 3.2379 3.2761 3.3927 3.3939 3.5972 3.6044 4.9210 4.9349 7.4565 7.4877 10.1374 10.1388 10.7147 10.8200 13.1305 13.1661 k = 0.2177 0.2854 0.7231 ( 2066 PWs) bands (ev): -22.5081 -22.5081 -18.0060 -18.0059 -5.6147 -5.6141 -4.1743 -4.1726 -3.7352 -3.7349 -3.3943 -3.3891 0.7227 0.7365 1.6093 1.6254 2.5931 2.6382 2.8582 2.8841 3.2420 3.2723 3.3911 3.3959 3.5752 3.5850 4.9364 4.9497 7.4606 7.4917 10.1491 10.1505 10.7084 10.8127 13.1412 13.1762 k = 0.2097 0.2933 0.7154 ( 2066 PWs) bands (ev): -22.5083 -22.5083 -18.0060 -18.0059 -5.6127 -5.6121 -4.1740 -4.1723 -3.7308 -3.7305 -3.3943 -3.3893 0.7233 0.7370 1.6008 1.6168 2.5886 2.6341 2.8614 2.8836 3.2465 3.2653 3.3885 3.3988 3.5501 3.5632 4.9548 4.9676 7.4659 7.4967 10.1638 10.1652 10.7005 10.8034 13.1547 13.1890 k = 0.2016 0.3013 0.7077 ( 2064 PWs) bands (ev): -22.5084 -22.5084 -18.0059 -18.0058 -5.6103 -5.6097 -4.1736 -4.1720 -3.7254 -3.7251 -3.3944 -3.3894 0.7240 0.7375 1.5908 1.6067 2.5830 2.6291 2.8651 2.8823 3.2503 3.2537 3.3843 3.4026 3.5246 3.5414 4.9757 4.9879 7.4723 7.5027 10.1814 10.1828 10.6910 10.7924 13.1709 13.2043 k = 0.1935 0.3092 0.6999 ( 2062 PWs) bands (ev): -22.5086 -22.5086 -18.0059 -18.0058 -5.6076 -5.6070 -4.1732 -4.1716 -3.7191 -3.7189 -3.3945 -3.3896 0.7249 0.7381 1.5794 1.5951 2.5763 2.6231 2.8691 2.8800 3.2361 3.2515 3.3781 3.4071 3.5020 3.5221 4.9984 5.0099 7.4796 7.5097 10.2015 10.2029 10.6802 10.7798 13.1897 13.2221 k = 0.1855 0.3172 0.6922 ( 2056 PWs) bands (ev): -22.5088 -22.5088 -18.0058 -18.0057 -5.6045 -5.6039 -4.1728 -4.1712 -3.7120 -3.7117 -3.3946 -3.3898 0.7258 0.7388 1.5669 1.5824 2.5685 2.6161 2.8732 2.8763 3.2115 3.2470 3.3711 3.4118 3.4856 3.5079 5.0222 5.0331 7.4878 7.5175 10.2240 10.2252 10.6681 10.7657 13.2108 13.2421 k = 0.1774 0.3251 0.6845 ( 2066 PWs) bands (ev): -22.5091 -22.5091 -18.0058 -18.0057 -5.6011 -5.6005 -4.1723 -4.1708 -3.7040 -3.7038 -3.3948 -3.3901 0.7267 0.7394 1.5534 1.5687 2.5594 2.6079 2.8706 2.8773 3.1796 3.2333 3.3662 3.4156 3.4766 3.5003 5.0466 5.0568 7.4968 7.5260 10.2483 10.2496 10.6549 10.7502 13.2341 13.2643 k = 0.1694 0.3331 0.6768 ( 2064 PWs) bands (ev): -22.5093 -22.5093 -18.0057 -18.0056 -5.5975 -5.5969 -4.1718 -4.1703 -3.6953 -3.6951 -3.3949 -3.3903 0.7278 0.7401 1.5392 1.5543 2.5492 2.5986 2.8627 2.8814 3.1416 3.2100 3.3658 3.4178 3.4745 3.5003 5.0711 5.0807 7.5065 7.5351 10.2744 10.2755 10.6409 10.7337 13.2594 13.2883 k = 0.1613 0.3410 0.6690 ( 2070 PWs) bands (ev): -22.5096 -22.5096 -18.0057 -18.0056 -5.5936 -5.5931 -4.1712 -4.1698 -3.6860 -3.6858 -3.3950 -3.3906 0.7288 0.7408 1.5244 1.5392 2.5375 2.5878 2.8521 2.8852 3.0991 3.1803 3.3693 3.4183 3.4779 3.5069 5.0953 5.1043 7.5169 7.5448 10.3016 10.3028 10.6261 10.7162 13.2865 13.3140 k = 0.1532 0.3490 0.6613 ( 2070 PWs) bands (ev): -22.5099 -22.5098 -18.0056 -18.0055 -5.5896 -5.5890 -4.1706 -4.1692 -3.6760 -3.6758 -3.3952 -3.3908 0.7299 0.7415 1.5093 1.5238 2.5244 2.5756 2.8382 2.8887 3.0538 3.1483 3.3745 3.4178 3.4861 3.5184 5.1191 5.1275 7.5277 7.5550 10.3298 10.3309 10.6109 10.6980 13.3151 13.3413 k = 0.1452 0.3569 0.6536 ( 2074 PWs) bands (ev): -22.5101 -22.5101 -18.0055 -18.0054 -5.5854 -5.5849 -4.1700 -4.1687 -3.6654 -3.6653 -3.3953 -3.3911 0.7310 0.7422 1.4940 1.5082 2.5097 2.5615 2.8208 2.8914 3.0075 3.1171 3.3800 3.4170 3.4981 3.5333 5.1420 5.1499 7.5389 7.5654 10.3586 10.3597 10.5953 10.6792 13.3449 13.3697 k = 0.1371 0.3649 0.6459 ( 2072 PWs) bands (ev): -22.5104 -22.5104 -18.0055 -18.0054 -5.5812 -5.5807 -4.1694 -4.1681 -3.6545 -3.6543 -3.3954 -3.3914 0.7320 0.7428 1.4787 1.4925 2.4933 2.5452 2.8002 2.8926 2.9627 3.0889 3.3851 3.4163 3.5134 3.5503 5.1641 5.1713 7.5504 7.5761 10.3876 10.3888 10.5796 10.6601 13.3758 13.3991 k = 0.1290 0.3728 0.6381 ( 2076 PWs) bands (ev): -22.5107 -22.5107 -18.0054 -18.0053 -5.5769 -5.5764 -4.1687 -4.1675 -3.6431 -3.6430 -3.3956 -3.3918 0.7330 0.7433 1.4636 1.4770 2.4750 2.5264 2.7771 2.8865 2.9261 3.0647 3.3894 3.4156 3.5310 3.5687 5.1850 5.1917 7.5620 7.5868 10.4164 10.4177 10.5640 10.6408 13.4075 13.4293 k = 0.1210 0.3808 0.6304 ( 2074 PWs) bands (ev): -22.5110 -22.5110 -18.0053 -18.0052 -5.5726 -5.5721 -4.1681 -4.1669 -3.6316 -3.6315 -3.3957 -3.3921 0.7340 0.7437 1.4488 1.4617 2.4547 2.5047 2.7526 2.8590 2.9129 3.0446 3.3931 3.4152 3.5505 3.5880 5.2047 5.2109 7.5736 7.5974 10.4447 10.4462 10.5487 10.6215 13.4396 13.4600 k = 0.1129 0.3887 0.6227 ( 2074 PWs) bands (ev): -22.5113 -22.5113 -18.0052 -18.0051 -5.5683 -5.5679 -4.1674 -4.1663 -3.6199 -3.6198 -3.3958 -3.3924 0.7348 0.7441 1.4344 1.4468 2.4323 2.4799 2.7284 2.8220 2.9120 3.0282 3.3962 3.4149 3.5709 3.6075 5.2232 5.2289 7.5852 7.6079 10.4716 10.4741 10.5345 10.6024 13.4719 13.4908 k = 0.1048 0.3967 0.6149 ( 2072 PWs) bands (ev): -22.5116 -22.5116 -18.0052 -18.0051 -5.5642 -5.5638 -4.1668 -4.1657 -3.6083 -3.6081 -3.3960 -3.3927 0.7356 0.7443 1.4206 1.4324 2.4080 2.4522 2.7056 2.7862 2.9134 3.0148 3.3988 3.4148 3.5919 3.6270 5.2404 5.2456 7.5966 7.6181 10.4947 10.5009 10.5237 10.5838 13.5042 13.5216 k = 0.0968 0.4046 0.6072 ( 2070 PWs) bands (ev): -22.5119 -22.5119 -18.0051 -18.0050 -5.5602 -5.5598 -4.1662 -4.1652 -3.5967 -3.5966 -3.3961 -3.3930 0.7364 0.7444 1.4075 1.4186 2.3819 2.4220 2.6851 2.7537 2.9154 3.0038 3.4010 3.4148 3.6129 3.6462 5.2563 5.2610 7.6077 7.6280 10.4982 10.5261 10.5320 10.5661 13.5360 13.5519 k = 0.0887 0.4126 0.5995 ( 2070 PWs) bands (ev): -22.5122 -22.5122 -18.0050 -18.0049 -5.5563 -5.5560 -4.1656 -4.1646 -3.5854 -3.5853 -3.3962 -3.3933 0.7370 0.7444 1.3951 1.4056 2.3546 2.3901 2.6672 2.7250 2.9175 2.9945 3.4030 3.4148 3.6336 3.6648 5.2708 5.2751 7.6183 7.6373 10.4878 10.5428 10.5536 10.5561 13.5671 13.5816 k = 0.0806 0.4205 0.5918 ( 2070 PWs) bands (ev): -22.5125 -22.5125 -18.0049 -18.0049 -5.5527 -5.5523 -4.1650 -4.1641 -3.5745 -3.5744 -3.3962 -3.3936 0.7375 0.7443 1.3835 1.3933 2.3266 2.3575 2.6517 2.7001 2.9196 2.9867 3.4047 3.4148 3.6536 3.6824 5.2841 5.2879 7.6285 7.6461 10.4763 10.5296 10.5752 10.5756 13.5972 13.6102 k = 0.0726 0.4285 0.5840 ( 2068 PWs) bands (ev): -22.5127 -22.5127 -18.0049 -18.0048 -5.5493 -5.5490 -4.1644 -4.1637 -3.5641 -3.5641 -3.3963 -3.3939 0.7379 0.7442 1.3729 1.3819 2.2989 2.3253 2.6386 2.6787 2.9217 2.9799 3.4063 3.4149 3.6727 3.6989 5.2960 5.2994 7.6381 7.6541 10.4655 10.5141 10.5959 10.5963 13.6259 13.6375 k = 0.0645 0.4364 0.5763 ( 2068 PWs) bands (ev): -22.5129 -22.5129 -18.0048 -18.0048 -5.5461 -5.5459 -4.1639 -4.1632 -3.5544 -3.5544 -3.3963 -3.3942 0.7383 0.7439 1.3633 1.3715 2.2720 2.2943 2.6276 2.6605 2.9238 2.9740 3.4076 3.4150 3.6905 3.7140 5.3066 5.3096 7.6470 7.6615 10.4557 10.4993 10.6148 10.6153 13.6528 13.6631 k = 0.0565 0.4444 0.5686 ( 2066 PWs) bands (ev): -22.5131 -22.5131 -18.0048 -18.0047 -5.5433 -5.5431 -4.1634 -4.1628 -3.5455 -3.5454 -3.3963 -3.3945 0.7386 0.7435 1.3548 1.3621 2.2467 2.2654 2.6184 2.6452 2.9260 2.9688 3.4088 3.4150 3.7069 3.7277 5.3160 5.3186 7.6551 7.6680 10.4472 10.4857 10.6319 10.6323 13.6778 13.6866 k = 0.0484 0.4523 0.5608 ( 2062 PWs) bands (ev): -22.5133 -22.5133 -18.0047 -18.0047 -5.5408 -5.5406 -4.1630 -4.1625 -3.5375 -3.5374 -3.3963 -3.3947 0.7389 0.7431 1.3474 1.3537 2.2237 2.2391 2.6107 2.6323 2.9282 2.9641 3.4099 3.4151 3.7218 3.7398 5.3241 5.3263 7.6625 7.6736 10.4400 10.4732 10.6469 10.6472 13.7003 13.7078 k = 0.0403 0.4603 0.5531 ( 2060 PWs) bands (ev): -22.5135 -22.5135 -18.0047 -18.0046 -5.5386 -5.5385 -4.1627 -4.1622 -3.5305 -3.5305 -3.3963 -3.3950 0.7391 0.7426 1.3411 1.3465 2.2036 2.2159 2.6047 2.6216 2.9304 2.9598 3.4109 3.4151 3.7349 3.7499 5.3309 5.3327 7.6689 7.6783 10.4342 10.4620 10.6597 10.6599 13.7201 13.7263 k = 0.0323 0.4682 0.5454 ( 2060 PWs) bands (ev): -22.5136 -22.5136 -18.0046 -18.0046 -5.5368 -5.5367 -4.1623 -4.1620 -3.5246 -3.5246 -3.3963 -3.3952 0.7393 0.7421 1.3360 1.3404 2.1867 2.1963 2.6000 2.6130 2.9327 2.9559 3.4117 3.4150 3.7460 3.7581 5.3365 5.3379 7.6745 7.6820 10.4299 10.4523 10.6702 10.6704 13.7368 13.7418 k = 0.0242 0.4762 0.5377 ( 2060 PWs) bands (ev): -22.5137 -22.5137 -18.0046 -18.0046 -5.5354 -5.5353 -4.1621 -4.1618 -3.5200 -3.5200 -3.3962 -3.3954 0.7395 0.7417 1.3322 1.3354 2.1735 2.1805 2.5967 2.6061 2.9350 2.9522 3.4125 3.4149 3.7551 3.7641 5.3409 5.3420 7.6790 7.6848 10.4271 10.4440 10.6785 10.6786 13.7503 13.7540 k = 0.0161 0.4841 0.5299 ( 2060 PWs) bands (ev): -22.5138 -22.5138 -18.0046 -18.0046 -5.5344 -5.5343 -4.1619 -4.1617 -3.5166 -3.5166 -3.3961 -3.3956 0.7398 0.7412 1.3295 1.3317 2.1642 2.1687 2.5948 2.6009 2.9375 2.9489 3.4131 3.4147 3.7620 3.7681 5.3441 5.3448 7.6826 7.6864 10.4259 10.4372 10.6844 10.6845 13.7603 13.7627 k = 0.0081 0.4921 0.5222 ( 2060 PWs) bands (ev): -22.5138 -22.5138 -18.0046 -18.0046 -5.5338 -5.5337 -4.1618 -4.1617 -3.5145 -3.5145 -3.3960 -3.3957 0.7401 0.7408 1.3282 1.3293 2.1589 2.1612 2.5943 2.5972 2.9401 2.9458 3.4136 3.4144 3.7669 3.7699 5.3460 5.3464 7.6851 7.6871 10.4263 10.4320 10.6880 10.6880 13.7666 13.7678 k = 0.0000 0.5001 0.5145 ( 2060 PWs) bands (ev): -22.5138 -22.5138 -18.0046 -18.0046 -5.5336 -5.5336 -4.1617 -4.1617 -3.5139 -3.5139 -3.3959 -3.3959 0.7404 0.7404 1.3281 1.3281 2.1579 2.1579 2.5950 2.5950 2.9429 2.9429 3.4141 3.4141 3.7696 3.7696 5.3468 5.3468 7.6866 7.6866 10.4284 10.4284 10.6892 10.6892 13.7691 13.7691 k = 0.0000 0.5001 0.5145 ( 2060 PWs) bands (ev): -22.5138 -22.5138 -18.0046 -18.0046 -5.5336 -5.5336 -4.1617 -4.1617 -3.5139 -3.5139 -3.3959 -3.3959 0.7404 0.7404 1.3281 1.3281 2.1579 2.1579 2.5950 2.5950 2.9429 2.9429 3.4141 3.4141 3.7696 3.7696 5.3468 5.3468 7.6866 7.6866 10.4284 10.4284 10.6892 10.6892 13.7691 13.7691 k = 0.0111 0.5058 0.5089 ( 2058 PWs) bands (ev): -22.5138 -22.5138 -18.0046 -18.0046 -5.5338 -5.5335 -4.1615 -4.1614 -3.5146 -3.5141 -3.3963 -3.3948 0.7392 0.7425 1.3257 1.3310 2.1547 2.1613 2.5916 2.5988 2.9348 2.9514 3.4106 3.4164 3.7668 3.7734 5.3441 5.3467 7.6861 7.6873 10.4270 10.4280 10.6905 10.6924 13.7632 13.7695 k = 0.0221 0.5116 0.5033 ( 2060 PWs) bands (ev): -22.5138 -22.5138 -18.0047 -18.0047 -5.5343 -5.5336 -4.1609 -4.1606 -3.5163 -3.5152 -3.3959 -3.3931 0.7389 0.7454 1.3236 1.3343 2.1516 2.1647 2.5883 2.6028 2.9273 2.9604 3.4060 3.4174 3.7651 3.7783 5.3387 5.3440 7.6857 7.6880 10.4239 10.4258 10.6962 10.6998 13.7520 13.7644 k = 0.0332 0.5174 0.4977 ( 2061 PWs) bands (ev): -22.5138 -22.5137 -18.0050 -18.0050 -5.5349 -5.5340 -4.1599 -4.1594 -3.5187 -3.5172 -3.3950 -3.3908 0.7394 0.7491 1.3221 1.3379 2.1488 2.1683 2.5853 2.6070 2.9203 2.9696 3.4005 3.4171 3.7645 3.7842 5.3307 5.3385 7.6855 7.6889 10.4194 10.4220 10.7060 10.7113 13.7357 13.7539 k = 0.0442 0.5231 0.4921 ( 2061 PWs) bands (ev): -22.5137 -22.5137 -18.0053 -18.0053 -5.5357 -5.5345 -4.1584 -4.1577 -3.5217 -3.5199 -3.3935 -3.3882 0.7409 0.7536 1.3211 1.3419 2.1462 2.1719 2.5826 2.6113 2.9140 2.9791 3.3941 3.4157 3.7649 3.7911 5.3202 5.3305 7.6854 7.6898 10.4139 10.4170 10.7197 10.7264 13.7148 13.7382 k = 0.0553 0.5289 0.4864 ( 2063 PWs) bands (ev): -22.5136 -22.5136 -18.0057 -18.0057 -5.5367 -5.5352 -4.1565 -4.1557 -3.5251 -3.5232 -3.3917 -3.3854 0.7433 0.7590 1.3205 1.3461 2.1438 2.1756 2.5802 2.6158 2.9082 2.9885 3.3871 3.4130 3.7663 3.7990 5.3071 5.3199 7.6853 7.6908 10.4076 10.4111 10.7368 10.7447 13.6895 13.7177 k = 0.0663 0.5347 0.4808 ( 2060 PWs) bands (ev): -22.5135 -22.5134 -18.0062 -18.0062 -5.5379 -5.5361 -4.1542 -4.1532 -3.5287 -3.5267 -3.3897 -3.3825 0.7468 0.7652 1.3204 1.3506 2.1417 2.1793 2.5781 2.6205 2.9030 2.9979 3.3797 3.4093 3.7686 3.8077 5.2917 5.3068 7.6854 7.6918 10.4009 10.4045 10.7568 10.7658 13.6605 13.6929 k = 0.0774 0.5404 0.4752 ( 2063 PWs) bands (ev): -22.5133 -22.5133 -18.0068 -18.0068 -5.5393 -5.5371 -4.1516 -4.1504 -3.5324 -3.5305 -3.3878 -3.3798 0.7512 0.7721 1.3209 1.3553 2.1398 2.1829 2.5762 2.6252 2.8982 3.0069 3.3720 3.4046 3.7718 3.8172 5.2740 5.2913 7.6855 7.6927 10.3939 10.3976 10.7796 10.7895 13.6282 13.6641 k = 0.0885 0.5462 0.4696 ( 2069 PWs) bands (ev): -22.5132 -22.5131 -18.0074 -18.0074 -5.5408 -5.5384 -4.1486 -4.1473 -3.5361 -3.5342 -3.3859 -3.3773 0.7566 0.7798 1.3219 1.3602 2.1382 2.1865 2.5747 2.6300 2.8939 3.0153 3.3642 3.3990 3.7758 3.8275 5.2542 5.2737 7.6856 7.6936 10.3869 10.3905 10.8047 10.8153 13.5932 13.6319 k = 0.0995 0.5520 0.4640 ( 2071 PWs) bands (ev): -22.5130 -22.5129 -18.0082 -18.0082 -5.5425 -5.5398 -4.1453 -4.1439 -3.5395 -3.5378 -3.3844 -3.3753 0.7630 0.7883 1.3233 1.3652 2.1369 2.1900 2.5734 2.6348 2.8900 3.0229 3.3566 3.3929 3.7805 3.8384 5.2325 5.2539 7.6857 7.6944 10.3799 10.3834 10.8318 10.8432 13.5560 13.5969 k = 0.1106 0.5577 0.4584 ( 2069 PWs) bands (ev): -22.5128 -22.5127 -18.0090 -18.0090 -5.5444 -5.5414 -4.1418 -4.1402 -3.5425 -3.5410 -3.3832 -3.3736 0.7704 0.7976 1.3253 1.3704 2.1360 2.1935 2.5725 2.6396 2.8864 3.0295 3.3494 3.3863 3.7860 3.8499 5.2089 5.2322 7.6858 7.6951 10.3731 10.3764 10.8609 10.8729 13.5171 13.5595 k = 0.1216 0.5635 0.4528 ( 2065 PWs) bands (ev): -22.5126 -22.5125 -18.0098 -18.0098 -5.5463 -5.5431 -4.1380 -4.1362 -3.5452 -3.5437 -3.3825 -3.3726 0.7789 0.8076 1.3277 1.3757 2.1353 2.1969 2.5718 2.6444 2.8831 3.0349 3.3428 3.3795 3.7922 3.8619 5.1837 5.2087 7.6859 7.6957 10.3663 10.3695 10.8915 10.9042 13.4769 13.5202 k = 0.1327 0.5693 0.4472 ( 2067 PWs) bands (ev): -22.5124 -22.5123 -18.0108 -18.0108 -5.5485 -5.5450 -4.1340 -4.1321 -3.5474 -3.5459 -3.3823 -3.3721 0.7884 0.8184 1.3306 1.3810 2.1349 2.2001 2.5713 2.6491 2.8798 3.0387 3.3369 3.3726 3.7989 3.8744 5.1570 5.1836 7.6858 7.6961 10.3598 10.3627 10.9237 10.9368 13.4360 13.4796 k = 0.1437 0.5750 0.4416 ( 2068 PWs) bands (ev): -22.5122 -22.5121 -18.0118 -18.0117 -5.5507 -5.5470 -4.1298 -4.1278 -3.5490 -3.5475 -3.3827 -3.3723 0.7989 0.8298 1.3338 1.3863 2.1348 2.2033 2.5712 2.6538 2.8766 3.0409 3.3319 3.3659 3.8062 3.8871 5.1290 5.1570 7.6858 7.6963 10.3533 10.3562 10.9571 10.9708 13.3946 13.4380 k = 0.1548 0.5808 0.4360 ( 2072 PWs) bands (ev): -22.5120 -22.5119 -18.0128 -18.0128 -5.5531 -5.5492 -4.1255 -4.1234 -3.5501 -3.5483 -3.3837 -3.3731 0.8104 0.8419 1.3373 1.3917 2.1350 2.2063 2.5713 2.6583 2.8734 3.0414 3.3276 3.3595 3.8140 3.9000 5.0999 5.1292 7.6857 7.6964 10.3470 10.3498 10.9916 11.0058 13.3531 13.3957 k = 0.1659 0.5866 0.4304 ( 2076 PWs) bands (ev): -22.5118 -22.5117 -18.0139 -18.0139 -5.5556 -5.5515 -4.1211 -4.1189 -3.5504 -3.5484 -3.3854 -3.3747 0.8228 0.8546 1.3411 1.3970 2.1354 2.2091 2.5716 2.6627 2.8702 3.0401 3.3242 3.3536 3.8223 3.9131 5.0699 5.1003 7.6855 7.6964 10.3408 10.3435 11.0272 11.0419 13.3118 13.3533 k = 0.1769 0.5923 0.4248 ( 2078 PWs) bands (ev): -22.5115 -22.5114 -18.0150 -18.0150 -5.5582 -5.5538 -4.1165 -4.1142 -3.5501 -3.5478 -3.3877 -3.3770 0.8361 0.8679 1.3452 1.4022 2.1360 2.2119 2.5721 2.6670 2.8669 3.0372 3.3214 3.3485 3.8309 3.9263 5.0391 5.0704 7.6854 7.6963 10.3346 10.3373 11.0637 11.0788 13.2709 13.3108 k = 0.1880 0.5981 0.4192 ( 2082 PWs) bands (ev): -22.5113 -22.5112 -18.0162 -18.0161 -5.5608 -5.5563 -4.1119 -4.1095 -3.5491 -3.5464 -3.3907 -3.3801 0.8501 0.8816 1.3494 1.4073 2.1370 2.2145 2.5730 2.6712 2.8634 3.0328 3.3189 3.3444 3.8398 3.9392 5.0077 5.0399 7.6853 7.6962 10.3284 10.3311 11.1010 11.1166 13.2306 13.2686 k = 0.1990 0.6039 0.4136 ( 2080 PWs) bands (ev): -22.5111 -22.5110 -18.0173 -18.0173 -5.5635 -5.5588 -4.1071 -4.1046 -3.5474 -3.5443 -3.3944 -3.3838 0.8650 0.8958 1.3537 1.4123 2.1381 2.2170 2.5740 2.6753 2.8599 3.0272 3.3167 3.3415 3.8488 3.9521 4.9760 5.0088 7.6852 7.6961 10.3221 10.3248 11.1391 11.1552 13.1910 13.2267 k = 0.2101 0.6096 0.4080 ( 2092 PWs) bands (ev): -22.5109 -22.5108 -18.0185 -18.0185 -5.5662 -5.5615 -4.1022 -4.0997 -3.5449 -3.5414 -3.3988 -3.3883 0.8804 0.9103 1.3580 1.4171 2.1395 2.2193 2.5753 2.6791 2.8562 3.0205 3.3142 3.3396 3.8579 3.9645 4.9440 4.9774 7.6853 7.6960 10.3156 10.3183 11.1778 11.1945 13.1522 13.1854 k = 0.2211 0.6154 0.4024 ( 2096 PWs) bands (ev): -22.5107 -22.5106 -18.0198 -18.0197 -5.5690 -5.5641 -4.0973 -4.0947 -3.5418 -3.5379 -3.4038 -3.3934 0.8965 0.9251 1.3623 1.4218 2.1410 2.2215 2.5767 2.6828 2.8525 3.0131 3.3117 3.3388 3.8668 3.9764 4.9122 4.9458 7.6856 7.6961 10.3088 10.3116 11.2173 11.2345 13.1142 13.1447 k = 0.2322 0.6212 0.3968 ( 2095 PWs) bands (ev): -22.5105 -22.5104 -18.0210 -18.0210 -5.5718 -5.5668 -4.0922 -4.0896 -3.5380 -3.5337 -3.4093 -3.3992 0.9129 0.9400 1.3666 1.4263 2.1427 2.2236 2.5784 2.6864 2.8489 3.0053 3.3093 3.3389 3.8755 3.9878 4.8807 4.9145 7.6862 7.6964 10.3016 10.3044 11.2575 11.2753 13.0770 13.1046 k = 0.2433 0.6269 0.3912 ( 2095 PWs) bands (ev): -22.5104 -22.5103 -18.0222 -18.0222 -5.5746 -5.5695 -4.0870 -4.0844 -3.5336 -3.5289 -3.4155 -3.4057 0.9297 0.9548 1.3708 1.4306 2.1446 2.2256 2.5802 2.6899 2.8454 2.9972 3.3069 3.3395 3.8837 3.9983 4.8497 4.8834 7.6871 7.6970 10.2939 10.2967 11.2984 11.3169 13.0406 13.0652 k = 0.2543 0.6327 0.3856 ( 2090 PWs) bands (ev): -22.5102 -22.5101 -18.0234 -18.0234 -5.5774 -5.5722 -4.0817 -4.0791 -3.5287 -3.5236 -3.4222 -3.4127 0.9467 0.9696 1.3748 1.4348 2.1465 2.2274 2.5822 2.6931 2.8420 2.9892 3.3046 3.3405 3.8913 4.0079 4.8196 4.8531 7.6884 7.6980 10.2856 10.2884 11.3401 11.3592 13.0049 13.0264 k = 0.2654 0.6385 0.3799 ( 2092 PWs) bands (ev): -22.5101 -22.5100 -18.0246 -18.0246 -5.5801 -5.5748 -4.0762 -4.0736 -3.5233 -3.5177 -3.4294 -3.4202 0.9636 0.9842 1.3786 1.4387 2.1486 2.2290 2.5842 2.6962 2.8388 2.9813 3.3023 3.3416 3.8980 4.0163 4.7905 4.8236 7.6902 7.6995 10.2765 10.2792 11.3826 11.4025 12.9699 12.9883 k = 0.2764 0.6442 0.3743 ( 2092 PWs) bands (ev): -22.5101 -22.5099 -18.0258 -18.0258 -5.5828 -5.5775 -4.0705 -4.0679 -3.5174 -3.5115 -3.4370 -3.4283 0.9804 0.9983 1.3823 1.4425 2.1507 2.2305 2.5863 2.6992 2.8359 2.9737 3.3000 3.3427 3.9037 4.0234 4.7629 4.7955 7.6925 7.7015 10.2664 10.2690 11.4261 11.4468 12.9355 12.9507 k = 0.2875 0.6500 0.3687 ( 2092 PWs) bands (ev): -22.5100 -22.5099 -18.0269 -18.0269 -5.5853 -5.5800 -4.0647 -4.0621 -3.5112 -3.5048 -3.4451 -3.4368 0.9969 1.0119 1.3858 1.4462 2.1528 2.2319 2.5886 2.7020 2.8333 2.9666 3.2978 3.3438 3.9079 4.0288 4.7371 4.7689 7.6956 7.7042 10.2554 10.2578 11.4706 11.4922 12.9016 12.9137 k = 0.2985 0.6558 0.3631 ( 2094 PWs) bands (ev): -22.5100 -22.5099 -18.0281 -18.0280 -5.5878 -5.5825 -4.0586 -4.0560 -3.5049 -3.4979 -3.4534 -3.4458 1.0130 1.0249 1.3891 1.4497 2.1549 2.2331 2.5907 2.7046 2.8311 2.9599 3.2954 3.3448 3.9106 4.0325 4.7133 4.7443 7.6993 7.7076 10.2431 10.2453 11.5161 11.5387 12.8682 12.8773 k = 0.3096 0.6615 0.3575 ( 2094 PWs) bands (ev): -22.5100 -22.5099 -18.0292 -18.0291 -5.5902 -5.5848 -4.0523 -4.0498 -3.4985 -3.4908 -3.4617 -3.4550 1.0283 1.0371 1.3922 1.4532 2.1570 2.2341 2.5929 2.7070 2.8293 2.9538 3.2929 3.3455 3.9116 4.0343 4.6919 4.7222 7.7038 7.7119 10.2296 10.2316 11.5627 11.5865 12.8353 12.8416 k = 0.3207 0.6673 0.3519 ( 2096 PWs) bands (ev): -22.5101 -22.5099 -18.0302 -18.0302 -5.5924 -5.5871 -4.0458 -4.0433 -3.4930 -3.4840 -3.4693 -3.4643 1.0427 1.0485 1.3953 1.4567 2.1590 2.2350 2.5950 2.7093 2.8280 2.9482 3.2903 3.3460 3.9106 4.0339 4.6731 4.7028 7.7092 7.7171 10.2147 10.2164 11.6104 11.6353 12.8029 12.8067 k = 0.3317 0.6731 0.3463 ( 2087 PWs) bands (ev): -22.5101 -22.5100 -18.0312 -18.0312 -5.5945 -5.5892 -4.0391 -4.0366 -3.4910 -3.4805 -3.4725 -3.4711 1.0555 1.0594 1.3984 1.4602 2.1610 2.2358 2.5970 2.7114 2.8273 2.9431 3.2875 3.3463 3.9075 4.0313 4.6573 4.6866 7.7155 7.7233 10.1982 10.1997 11.6591 11.6853 12.7707 12.7734 k = 0.3317 0.6731 0.3463 ( 2087 PWs) bands (ev): -22.5101 -22.5100 -18.0312 -18.0312 -5.5945 -5.5892 -4.0391 -4.0366 -3.4910 -3.4805 -3.4725 -3.4711 1.0555 1.0594 1.3984 1.4602 2.1610 2.2358 2.5970 2.7114 2.8273 2.9431 3.2875 3.3463 3.9075 4.0313 4.6573 4.6866 7.7155 7.7233 10.1982 10.1997 11.6591 11.6853 12.7707 12.7734 k = 0.3373 0.6675 0.3348 ( 2083 PWs) bands (ev): -22.5104 -22.5103 -18.0332 -18.0331 -5.5986 -5.5934 -4.0246 -4.0223 -3.4948 -3.4843 -3.4738 -3.4724 1.0798 1.0821 1.4048 1.4675 2.1648 2.2371 2.6005 2.7151 2.8265 2.9331 3.2812 3.3464 3.8985 4.0233 4.6279 4.6570 7.7300 7.7375 10.1623 10.1633 11.7606 11.7897 12.7045 12.7078 k = 0.3429 0.6620 0.3232 ( 2087 PWs) bands (ev): -22.5107 -22.5106 -18.0352 -18.0351 -5.6030 -5.5978 -4.0095 -4.0072 -3.4987 -3.4883 -3.4751 -3.4736 1.1042 1.1049 1.4113 1.4750 2.1685 2.2381 2.6029 2.7178 2.8263 2.9231 3.2748 3.3467 3.8891 4.0149 4.5994 4.6281 7.7455 7.7527 10.1258 10.1264 11.8613 11.8938 12.6392 12.6434 k = 0.3485 0.6565 0.3117 ( 2091 PWs) bands (ev): -22.5111 -22.5110 -18.0371 -18.0371 -5.6074 -5.6023 -3.9937 -3.9915 -3.5026 -3.4925 -3.4763 -3.4749 1.1277 1.1288 1.4181 1.4827 2.1720 2.2390 2.6040 2.7194 2.8270 2.9137 3.2685 3.3470 3.8794 4.0062 4.5718 4.6000 7.7618 7.7688 10.0891 10.0894 11.9598 11.9961 12.5751 12.5806 k = 0.3542 0.6509 0.3001 ( 2091 PWs) bands (ev): -22.5115 -22.5114 -18.0391 -18.0391 -5.6120 -5.6070 -3.9774 -3.9753 -3.5066 -3.4967 -3.4775 -3.4761 1.1505 1.1534 1.4250 1.4905 2.1753 2.2398 2.6038 2.7195 2.8286 2.9051 3.2622 3.3475 3.8693 3.9972 4.5453 4.5730 7.7790 7.7857 10.0523 10.0524 12.0540 12.0951 12.5127 12.5202 k = 0.3598 0.6454 0.2886 ( 2091 PWs) bands (ev): -22.5119 -22.5118 -18.0410 -18.0410 -5.6167 -5.6118 -3.9607 -3.9586 -3.5107 -3.5010 -3.4787 -3.4774 1.1732 1.1780 1.4321 1.4985 2.1784 2.2404 2.6020 2.7175 2.8311 2.8979 3.2561 3.3481 3.8591 3.9880 4.5201 4.5470 7.7970 7.8036 10.0155 10.0158 12.1410 12.1883 12.4531 12.4639 k = 0.3654 0.6399 0.2771 ( 2088 PWs) bands (ev): -22.5124 -22.5123 -18.0429 -18.0429 -5.6214 -5.6166 -3.9436 -3.9416 -3.5147 -3.5053 -3.4799 -3.4786 1.1957 1.2025 1.4392 1.5066 2.1815 2.2409 2.5987 2.7133 2.8348 2.8924 3.2502 3.3488 3.8486 3.9785 4.4962 4.5223 7.8159 7.8222 9.9789 9.9796 12.2135 12.2688 12.4020 12.4177 k = 0.3710 0.6343 0.2655 ( 2088 PWs) bands (ev): -22.5129 -22.5128 -18.0448 -18.0448 -5.6262 -5.6215 -3.9262 -3.9243 -3.5189 -3.5097 -3.4810 -3.4798 1.2179 1.2267 1.4465 1.5147 2.1843 2.2412 2.5937 2.7065 2.8395 2.8888 3.2447 3.3496 3.8381 3.9687 4.4737 4.4988 7.8355 7.8416 9.9427 9.9435 12.2496 12.2952 12.3997 12.4026 k = 0.3766 0.6288 0.2540 ( 2086 PWs) bands (ev): -22.5134 -22.5133 -18.0467 -18.0467 -5.6310 -5.6265 -3.9086 -3.9067 -3.5230 -3.5141 -3.4821 -3.4809 1.2398 1.2507 1.4538 1.5228 2.1869 2.2413 2.5873 2.6971 2.8451 2.8874 3.2396 3.3504 3.8275 3.9588 4.4525 4.4767 7.8559 7.8617 9.9068 9.9079 12.2308 12.2536 12.4360 12.4589 k = 0.3822 0.6233 0.2424 ( 2082 PWs) bands (ev): -22.5140 -22.5139 -18.0485 -18.0485 -5.6358 -5.6314 -3.8909 -3.8891 -3.5270 -3.5184 -3.4832 -3.4821 1.2612 1.2743 1.4611 1.5310 2.1894 2.2414 2.5795 2.6855 2.8516 2.8878 3.2349 3.3512 3.8169 3.9487 4.4328 4.4559 7.8769 7.8825 9.8713 9.8726 12.1871 12.2008 12.4869 12.5218 k = 0.3878 0.6177 0.2309 ( 2074 PWs) bands (ev): -22.5145 -22.5145 -18.0502 -18.0502 -5.6405 -5.6363 -3.8732 -3.8714 -3.5311 -3.5227 -3.4842 -3.4832 1.2822 1.2975 1.4685 1.5391 2.1918 2.2413 2.5705 2.6719 2.8588 2.8899 3.2309 3.3520 3.8065 3.9384 4.4146 4.4365 7.8984 7.9039 9.8362 9.8377 12.1377 12.1473 12.5357 12.5772 k = 0.3934 0.6122 0.2193 ( 2078 PWs) bands (ev): -22.5151 -22.5150 -18.0520 -18.0519 -5.6452 -5.6411 -3.8557 -3.8539 -3.5350 -3.5270 -3.4852 -3.4842 1.3025 1.3201 1.4759 1.5470 2.1939 2.2411 2.5603 2.6566 2.8665 2.8932 3.2274 3.3526 3.7963 3.9280 4.3977 4.4184 7.9205 7.9257 9.8016 9.8032 12.0874 12.0948 12.5772 12.6227 k = 0.3990 0.6067 0.2078 ( 2082 PWs) bands (ev): -22.5157 -22.5156 -18.0536 -18.0536 -5.6497 -5.6458 -3.8382 -3.8365 -3.5390 -3.5312 -3.4862 -3.4853 1.3222 1.3421 1.4832 1.5549 2.1959 2.2407 2.5493 2.6401 2.8745 2.8975 3.2246 3.3531 3.7864 3.9175 4.3821 4.4017 7.9429 7.9479 9.7675 9.7692 12.0380 12.0440 12.6098 12.6579 k = 0.4046 0.6012 0.1962 ( 2080 PWs) bands (ev): -22.5163 -22.5162 -18.0552 -18.0552 -5.6542 -5.6505 -3.8211 -3.8193 -3.5428 -3.5353 -3.4871 -3.4862 1.3412 1.3633 1.4905 1.5626 2.1978 2.2403 2.5377 2.6229 2.8829 2.9026 3.2225 3.3535 3.7770 3.9069 4.3679 4.3862 7.9657 7.9705 9.7339 9.7357 11.9899 11.9949 12.6336 12.6828 k = 0.4102 0.5956 0.1847 ( 2082 PWs) bands (ev): -22.5168 -22.5168 -18.0568 -18.0567 -5.6586 -5.6550 -3.8043 -3.8026 -3.5465 -3.5394 -3.4880 -3.4872 1.3593 1.3837 1.4978 1.5701 2.1996 2.2397 2.5256 2.6052 2.8914 2.9082 3.2211 3.3536 3.7680 3.8962 4.3549 4.3720 7.9887 7.9933 9.7010 9.7028 11.9437 11.9479 12.6490 12.6982 k = 0.4159 0.5901 0.1732 ( 2082 PWs) bands (ev): -22.5174 -22.5173 -18.0582 -18.0582 -5.6627 -5.6594 -3.7879 -3.7863 -3.5500 -3.5432 -3.4888 -3.4881 1.3767 1.4031 1.5051 1.5773 2.2012 2.2390 2.5134 2.5872 2.8999 2.9141 3.2205 3.3533 3.7597 3.8855 4.3431 4.3590 8.0119 8.0162 9.6687 9.6706 11.8994 11.9031 12.6571 12.7051 k = 0.4215 0.5846 0.1616 ( 2082 PWs) bands (ev): -22.5179 -22.5179 -18.0596 -18.0596 -5.6668 -5.6636 -3.7721 -3.7705 -3.5534 -3.5470 -3.4896 -3.4889 1.3932 1.4214 1.5124 1.5841 2.2028 2.2382 2.5010 2.5694 2.9083 2.9201 3.2207 3.3528 3.7520 3.8748 4.3324 4.3471 8.0349 8.0391 9.6372 9.6391 11.8574 11.8607 12.6590 12.7049 k = 0.4271 0.5790 0.1501 ( 2074 PWs) bands (ev): -22.5184 -22.5184 -18.0609 -18.0609 -5.6706 -5.6676 -3.7569 -3.7553 -3.5567 -3.5506 -3.4903 -3.4897 1.4087 1.4385 1.5197 1.5906 2.2043 2.2374 2.4889 2.5518 2.9165 2.9263 3.2216 3.3517 3.7453 3.8643 4.3229 4.3364 8.0579 8.0618 9.6066 9.6086 11.8178 11.8206 12.6559 12.6992 k = 0.4327 0.5735 0.1385 ( 2076 PWs) bands (ev): -22.5190 -22.5189 -18.0622 -18.0622 -5.6742 -5.6714 -3.7425 -3.7409 -3.5597 -3.5540 -3.4910 -3.4904 1.4233 1.4541 1.5273 1.5967 2.2057 2.2364 2.4770 2.5346 2.9243 2.9322 3.2234 3.3502 3.7393 3.8537 4.3143 4.3266 8.0804 8.0841 9.5771 9.5789 11.7806 11.7831 12.6491 12.6892 k = 0.4383 0.5680 0.1270 ( 2072 PWs) bands (ev): -22.5194 -22.5194 -18.0633 -18.0633 -5.6775 -5.6750 -3.7288 -3.7273 -3.5626 -3.5572 -3.4916 -3.4911 1.4370 1.4682 1.5350 1.6023 2.2070 2.2354 2.4657 2.5181 2.9318 2.9381 3.2259 3.3482 3.7343 3.8432 4.3067 4.3178 8.1025 8.1060 9.5487 9.5505 11.7460 11.7482 12.6397 12.6763 k = 0.4439 0.5624 0.1154 ( 2072 PWs) bands (ev): -22.5199 -22.5198 -18.0644 -18.0644 -5.6807 -5.6783 -3.7161 -3.7146 -3.5653 -3.5602 -3.4922 -3.4917 1.4495 1.4805 1.5431 1.6073 2.2083 2.2343 2.4550 2.5023 2.9388 2.9437 3.2291 3.3455 3.7303 3.8329 4.2999 4.3099 8.1238 8.1271 9.5216 9.5234 11.7141 11.7161 12.6287 12.6617 k = 0.4495 0.5569 0.1039 ( 2074 PWs) bands (ev): -22.5203 -22.5202 -18.0653 -18.0653 -5.6835 -5.6814 -3.7043 -3.7028 -3.5677 -3.5630 -3.4927 -3.4923 1.4611 1.4910 1.5514 1.6116 2.2095 2.2331 2.4451 2.4875 2.9453 2.9489 3.2330 3.3423 3.7273 3.8227 4.2940 4.3029 8.1442 8.1472 9.4961 9.4978 11.6850 11.6867 12.6169 12.6463 k = 0.4551 0.5514 0.0924 ( 2076 PWs) bands (ev): -22.5207 -22.5206 -18.0662 -18.0662 -5.6861 -5.6842 -3.6935 -3.6920 -3.5699 -3.5656 -3.4932 -3.4928 1.4716 1.4997 1.5600 1.6154 2.2107 2.2319 2.4362 2.4737 2.9512 2.9538 3.2375 3.3383 3.7255 3.8128 4.2888 4.2967 8.1634 8.1661 9.4724 9.4740 11.6587 11.6602 12.6050 12.6309 k = 0.4607 0.5458 0.0808 ( 2076 PWs) bands (ev): -22.5210 -22.5210 -18.0670 -18.0670 -5.6884 -5.6867 -3.6837 -3.6824 -3.5718 -3.5680 -3.4936 -3.4933 1.4811 1.5067 1.5687 1.6184 2.2120 2.2306 2.4283 2.4611 2.9564 2.9582 3.2426 3.3338 3.7247 3.8031 4.2844 4.2913 8.1812 8.1836 9.4506 9.4521 11.6353 11.6366 12.5937 12.6160 k = 0.4663 0.5403 0.0693 ( 2078 PWs) bands (ev): -22.5213 -22.5213 -18.0677 -18.0677 -5.6904 -5.6890 -3.6752 -3.6739 -3.5735 -3.5701 -3.4940 -3.4937 1.4896 1.5120 1.5772 1.6206 2.2132 2.2292 2.4216 2.4496 2.9610 2.9621 3.2483 3.3287 3.7249 3.7937 4.2808 4.2866 8.1974 8.1995 9.4311 9.4324 11.6150 11.6160 12.5832 12.6021 k = 0.4720 0.5348 0.0577 ( 2078 PWs) bands (ev): -22.5216 -22.5216 -18.0683 -18.0683 -5.6921 -5.6909 -3.6678 -3.6667 -3.5749 -3.5720 -3.4943 -3.4940 1.4970 1.5160 1.5853 1.6219 2.2143 2.2278 2.4162 2.4395 2.9649 2.9656 3.2545 3.3232 3.7262 3.7847 4.2777 4.2825 8.2117 8.2135 9.4141 9.4152 11.5977 11.5985 12.5740 12.5896 k = 0.4776 0.5293 0.0462 ( 2078 PWs) bands (ev): -22.5218 -22.5218 -18.0687 -18.0687 -5.6935 -5.6925 -3.6617 -3.6607 -3.5760 -3.5736 -3.4945 -3.4943 1.5034 1.5188 1.5929 1.6224 2.2155 2.2263 2.4120 2.4306 2.9681 2.9685 3.2612 3.3172 3.7285 3.7761 4.2754 4.2792 8.2238 8.2253 9.3998 9.4007 11.5835 11.5842 12.5664 12.5788 k = 0.4832 0.5237 0.0346 ( 2078 PWs) bands (ev): -22.5220 -22.5219 -18.0691 -18.0691 -5.6945 -5.6938 -3.6568 -3.6560 -3.5768 -3.5750 -3.4947 -3.4945 1.5088 1.5204 1.5998 1.6221 2.2168 2.2249 2.4093 2.4232 2.9706 2.9708 3.2680 3.3107 3.7318 3.7679 4.2737 4.2766 8.2335 8.2346 9.3884 9.3892 11.5724 11.5729 12.5606 12.5699 k = 0.4888 0.5182 0.0231 ( 2086 PWs) bands (ev): -22.5221 -22.5221 -18.0694 -18.0694 -5.6952 -5.6947 -3.6532 -3.6527 -3.5773 -3.5761 -3.4948 -3.4947 1.5132 1.5210 1.6058 1.6207 2.2180 2.2235 2.4079 2.4172 2.9724 2.9724 3.2750 3.3038 3.7359 3.7602 4.2727 4.2746 8.2406 8.2414 9.3802 9.3807 11.5645 11.5648 12.5568 12.5629 k = 0.4944 0.5127 0.0115 ( 2082 PWs) bands (ev): -22.5222 -22.5222 -18.0695 -18.0695 -5.6956 -5.6954 -3.6510 -3.6508 -3.5775 -3.5769 -3.4949 -3.4948 1.5166 1.5205 1.6109 1.6184 2.2194 2.2221 2.4081 2.4127 2.9735 2.9735 3.2823 3.2967 3.7409 3.7531 4.2722 4.2732 8.2451 8.2455 9.3753 9.3755 11.5597 11.5599 12.5551 12.5582 k = 0.5000 0.5071 0.0000 ( 2090 PWs) bands (ev): -22.5222 -22.5222 -18.0696 -18.0696 -5.6956 -5.6956 -3.6502 -3.6502 -3.5773 -3.5773 -3.4949 -3.4949 1.5190 1.5190 1.6152 1.6152 2.2207 2.2207 2.4096 2.4096 2.9738 2.9738 3.2894 3.2894 3.7466 3.7466 4.2724 4.2724 8.2467 8.2467 9.3737 9.3737 11.5582 11.5582 12.5555 12.5555 k = 0.5000 0.5071 0.0000 ( 2090 PWs) bands (ev): -22.5222 -22.5222 -18.0696 -18.0696 -5.6956 -5.6956 -3.6502 -3.6502 -3.5773 -3.5773 -3.4949 -3.4949 1.5190 1.5190 1.6152 1.6152 2.2207 2.2207 2.4096 2.4096 2.9738 2.9738 3.2894 3.2894 3.7466 3.7466 4.2724 4.2724 8.2467 8.2467 9.3737 9.3737 11.5582 11.5582 12.5555 12.5555 k = 0.4902 0.4972 0.0000 ( 2082 PWs) bands (ev): -22.5222 -22.5222 -18.0695 -18.0695 -5.6955 -5.6951 -3.6502 -3.6501 -3.5790 -3.5786 -3.4939 -3.4934 1.5190 1.5196 1.6108 1.6155 2.2172 2.2236 2.4065 2.4135 2.9737 2.9738 3.2869 3.2902 3.7383 3.7532 4.2684 4.2822 8.2472 8.2477 9.3736 9.3748 11.5491 11.5577 12.5544 12.5692 k = 0.4804 0.4872 0.0000 ( 2078 PWs) bands (ev): -22.5224 -22.5223 -18.0693 -18.0693 -5.6947 -5.6939 -3.6499 -3.6498 -3.5835 -3.5826 -3.4906 -3.4897 1.5194 1.5206 1.6024 1.6120 2.2131 2.2258 2.4041 2.4181 2.9734 2.9736 3.2823 3.2888 3.7287 3.7577 4.2706 4.2973 8.2492 8.2501 9.3744 9.3769 11.5312 11.5479 12.5654 12.5945 k = 0.4706 0.4773 0.0000 ( 2070 PWs) bands (ev): -22.5226 -22.5225 -18.0690 -18.0690 -5.6933 -5.6921 -3.6496 -3.6492 -3.5902 -3.5888 -3.4855 -3.4842 1.5197 1.5219 1.5905 1.6051 2.2086 2.2273 2.4026 2.4231 2.9730 2.9733 3.2759 3.2853 3.7182 3.7600 4.2789 4.3172 8.2526 8.2540 9.3761 9.3798 11.5061 11.5298 12.5870 12.6294 k = 0.4608 0.4674 0.0000 ( 2070 PWs) bands (ev): -22.5229 -22.5228 -18.0685 -18.0685 -5.6913 -5.6897 -3.6490 -3.6485 -3.5987 -3.5969 -3.4791 -3.4773 1.5195 1.5231 1.5755 1.5954 2.2038 2.2280 2.4018 2.4283 2.9724 2.9727 3.2677 3.2799 3.7072 3.7602 4.2929 4.3411 8.2574 8.2593 9.3784 9.3834 11.4757 11.5053 12.6168 12.6714 k = 0.4510 0.4574 0.0000 ( 2074 PWs) bands (ev): -22.5232 -22.5232 -18.0679 -18.0678 -5.6886 -5.6867 -3.6483 -3.6477 -3.6087 -3.6063 -3.4717 -3.4694 1.5172 1.5224 1.5595 1.5846 2.1986 2.2278 2.4018 2.4337 2.9716 2.9720 3.2580 3.2725 3.6962 3.7584 4.3123 4.3683 8.2634 8.2658 9.3813 9.3875 11.4421 11.4765 12.6522 12.7173 k = 0.4412 0.4475 0.0000 ( 2070 PWs) bands (ev): -22.5237 -22.5236 -18.0671 -18.0671 -5.6854 -5.6831 -3.6476 -3.6466 -3.6198 -3.6168 -3.4636 -3.4608 1.5109 1.5140 1.5487 1.5751 2.1931 2.2269 2.4024 2.4390 2.9708 2.9711 3.2470 3.2636 3.6855 3.7553 4.3363 4.3984 8.2706 8.2735 9.3843 9.3918 11.4071 11.4454 12.6904 12.7641 k = 0.4314 0.4375 0.0000 ( 2070 PWs) bands (ev): -22.5242 -22.5241 -18.0662 -18.0662 -5.6817 -5.6790 -3.6472 -3.6453 -3.6320 -3.6278 -3.4549 -3.4516 1.4941 1.4981 1.5470 1.5695 2.1875 2.2253 2.4034 2.4442 2.9698 2.9699 3.2350 3.2532 3.6752 3.7510 4.3640 4.4306 8.2789 8.2822 9.3873 9.3959 11.3724 11.4139 12.7291 12.8088 k = 0.4216 0.4276 0.0000 ( 2074 PWs) bands (ev): -22.5248 -22.5247 -18.0652 -18.0651 -5.6774 -5.6744 -3.6491 -3.6450 -3.6438 -3.6372 -3.4457 -3.4418 1.4679 1.4788 1.5497 1.5681 2.1817 2.2230 2.4048 2.4491 2.9686 2.9688 3.2221 3.2416 3.6655 3.7460 4.3948 4.4644 8.2881 8.2919 9.3897 9.3995 11.3393 11.3835 12.7668 12.8498 k = 0.4118 0.4176 0.0000 ( 2070 PWs) bands (ev): -22.5255 -22.5254 -18.0640 -18.0640 -5.6727 -5.6693 -3.6587 -3.6583 -3.6422 -3.6399 -3.4360 -3.4316 1.4385 1.4546 1.5538 1.5695 2.1758 2.2202 2.4064 2.4537 2.9670 2.9676 3.2086 3.2293 3.6567 3.7407 4.4278 4.4994 8.2981 8.3024 9.3912 9.4021 11.3092 11.3556 12.8025 12.8863 k = 0.4020 0.4077 0.0000 ( 2068 PWs) bands (ev): -22.5262 -22.5261 -18.0627 -18.0627 -5.6676 -5.6639 -3.6731 -3.6714 -3.6403 -3.6391 -3.4260 -3.4211 1.4071 1.4273 1.5584 1.5723 2.1697 2.2167 2.4080 2.4579 2.9651 2.9665 3.1946 3.2164 3.6487 3.7354 4.4623 4.5349 8.3087 8.3135 9.3913 9.4033 11.2832 11.3314 12.8362 12.9189 k = 0.3922 0.3978 0.0000 ( 2070 PWs) bands (ev): -22.5271 -22.5270 -18.0613 -18.0612 -5.6622 -5.6582 -3.6881 -3.6858 -3.6382 -3.6375 -3.4156 -3.4102 1.3744 1.3977 1.5631 1.5757 2.1634 2.2127 2.4097 2.4618 2.9631 2.9655 3.1805 3.2032 3.6416 3.7303 4.4976 4.5706 8.3197 8.3249 9.3897 9.4027 11.2621 11.3119 12.8679 12.9485 k = 0.3824 0.3878 0.0000 ( 2066 PWs) bands (ev): -22.5280 -22.5278 -18.0597 -18.0597 -5.6565 -5.6522 -3.7035 -3.7008 -3.6359 -3.6354 -3.4050 -3.3990 1.3409 1.3668 1.5676 1.5790 2.1571 2.2082 2.4113 2.4653 2.9607 2.9644 3.1664 3.1903 3.6356 3.7257 4.5332 4.6061 8.3309 8.3367 9.3859 9.3997 11.2468 11.2980 12.8982 12.9763 k = 0.3725 0.3779 0.0000 ( 2058 PWs) bands (ev): -22.5289 -22.5288 -18.0581 -18.0580 -5.6506 -5.6460 -3.7192 -3.7163 -3.6334 -3.6330 -3.3941 -3.3877 1.3070 1.3351 1.5716 1.5819 2.1507 2.2033 2.4129 2.4685 2.9580 2.9635 3.1526 3.1780 3.6304 3.7214 4.5685 4.6409 8.3424 8.3487 9.3795 9.3940 11.2380 11.2904 12.9276 13.0033 k = 0.3627 0.3679 0.0000 ( 2054 PWs) bands (ev): -22.5299 -22.5298 -18.0563 -18.0563 -5.6446 -5.6397 -3.7352 -3.7320 -3.6307 -3.6304 -3.3831 -3.3762 1.2731 1.3030 1.5748 1.5841 2.1441 2.1979 2.4144 2.4715 2.9549 2.9626 3.1394 3.1666 3.6261 3.7178 4.6030 4.6746 8.3537 8.3605 9.3702 9.3852 11.2362 11.2895 12.9566 13.0300 k = 0.3529 0.3580 0.0000 ( 2055 PWs) bands (ev): -22.5310 -22.5309 -18.0544 -18.0544 -5.6385 -5.6334 -3.7512 -3.7479 -3.6277 -3.6276 -3.3721 -3.3646 1.2395 1.2710 1.5769 1.5850 2.1374 2.1921 2.4157 2.4743 2.9514 2.9619 3.1269 3.1565 3.6227 3.7146 4.6363 4.7070 8.3647 8.3720 9.3578 9.3731 11.2418 11.2958 12.9857 13.0571 k = 0.3431 0.3480 0.0000 ( 2059 PWs) bands (ev): -22.5321 -22.5320 -18.0524 -18.0524 -5.6325 -5.6271 -3.7673 -3.7638 -3.6246 -3.6245 -3.3610 -3.3532 1.2066 1.2394 1.5777 1.5846 2.1305 2.1858 2.4171 2.4770 2.9474 2.9612 3.1154 3.1480 3.6201 3.7122 4.6680 4.7376 8.3753 8.3831 9.3422 9.3577 11.2551 11.3096 13.0152 13.0850 k = 0.3333 0.3381 0.0000 ( 2067 PWs) bands (ev): -22.5333 -22.5332 -18.0503 -18.0503 -5.6266 -5.6211 -3.7831 -3.7795 -3.6212 -3.6212 -3.3501 -3.3418 1.1747 1.2086 1.5769 1.5824 2.1236 2.1792 2.4186 2.4798 2.9430 2.9605 3.1053 3.1413 3.6184 3.7103 4.6976 4.7661 8.3853 8.3936 9.3233 9.3388 11.2760 11.3310 13.0454 13.1139 k = 0.3235 0.3281 0.0000 ( 2075 PWs) bands (ev): -22.5346 -22.5344 -18.0482 -18.0481 -5.6210 -5.6152 -3.7985 -3.7949 -3.6177 -3.6177 -3.3394 -3.3307 1.1439 1.1788 1.5743 1.5783 2.1166 2.1722 2.4202 2.4828 2.9384 2.9598 3.0967 3.1367 3.6175 3.7090 4.7250 4.7924 8.3947 8.4033 9.3014 9.3167 11.3047 11.3598 13.0765 13.1440 k = 0.3137 0.3182 0.0000 ( 2073 PWs) bands (ev): -22.5358 -22.5357 -18.0459 -18.0458 -5.6156 -5.6097 -3.8135 -3.8099 -3.6139 -3.6139 -3.3290 -3.3198 1.1148 1.1505 1.5696 1.5720 2.1095 2.1649 2.4223 2.4862 2.9335 2.9591 3.0900 3.1344 3.6173 3.7085 4.7499 4.8162 8.4032 8.4123 9.2767 9.2917 11.3408 11.3960 13.1088 13.1755 k = 0.3039 0.3083 0.0000 ( 2065 PWs) bands (ev): -22.5371 -22.5369 -18.0435 -18.0435 -5.6106 -5.6046 -3.8277 -3.8241 -3.6100 -3.6099 -3.3190 -3.3094 1.0873 1.1237 1.5627 1.5636 2.1023 2.1574 2.4247 2.4901 2.9285 2.9581 3.0856 3.1343 3.6179 3.7086 4.7721 4.8374 8.4108 8.4203 9.2493 9.2639 11.3841 11.4393 13.1423 13.2085 k = 0.2941 0.2983 0.0000 ( 2073 PWs) bands (ev): -22.5384 -22.5383 -18.0411 -18.0411 -5.6061 -5.5999 -3.8412 -3.8376 -3.6059 -3.6058 -3.3095 -3.2996 1.0618 1.0987 1.5528 1.5535 2.0950 2.1496 2.4275 2.4942 2.9235 2.9567 3.0836 3.1364 3.6190 3.7092 4.7912 4.8555 8.4173 8.4273 9.2196 9.2337 11.4342 11.4894 13.1772 13.2431 k = 0.2843 0.2884 0.0000 ( 2073 PWs) bands (ev): -22.5398 -22.5396 -18.0386 -18.0386 -5.6021 -5.5959 -3.8536 -3.8501 -3.6016 -3.6014 -3.3006 -3.2905 1.0383 1.0756 1.5396 1.5419 2.0877 2.1417 2.4308 2.4989 2.9185 2.9549 3.0842 3.1408 3.6208 3.7104 4.8072 4.8707 8.4227 8.4330 9.1880 9.2016 11.4909 11.5460 13.2134 13.2793 k = 0.2745 0.2784 0.0000 ( 2069 PWs) bands (ev): -22.5412 -22.5410 -18.0361 -18.0360 -5.5987 -5.5925 -3.8649 -3.8615 -3.5971 -3.5969 -3.2925 -3.2821 1.0171 1.0548 1.5241 1.5278 2.0804 2.1336 2.4346 2.5040 2.9138 2.9524 3.0876 3.1472 3.6233 3.7123 4.8200 4.8827 8.4269 8.4375 9.1548 9.1678 11.5536 11.6086 13.2511 13.3172 k = 0.2647 0.2685 0.0000 ( 2073 PWs) bands (ev): -22.5426 -22.5424 -18.0335 -18.0334 -5.5960 -5.5898 -3.8750 -3.8717 -3.5924 -3.5922 -3.2853 -3.2745 0.9983 1.0361 1.5064 1.5115 2.0730 2.1255 2.4389 2.5093 2.9092 2.9495 3.0937 3.1558 3.6263 3.7147 4.8294 4.8914 8.4299 8.4408 9.1205 9.1329 11.6220 11.6770 13.2903 13.3566 k = 0.2549 0.2585 0.0000 ( 2079 PWs) bands (ev): -22.5440 -22.5438 -18.0308 -18.0308 -5.5941 -5.5879 -3.8836 -3.8806 -3.5876 -3.5874 -3.2790 -3.2680 0.9819 1.0199 1.4867 1.4929 2.0656 2.1172 2.4436 2.5150 2.9049 2.9461 3.1024 3.1662 3.6297 3.7175 4.8354 4.8969 8.4315 8.4427 9.0853 9.0971 11.6957 11.7506 13.3309 13.3977 k = 0.2451 0.2486 0.0000 ( 2073 PWs) bands (ev): -22.5454 -22.5453 -18.0282 -18.0281 -5.5929 -5.5868 -3.8908 -3.8879 -3.5826 -3.5824 -3.2737 -3.2626 0.9681 1.0061 1.4651 1.4723 2.0583 2.1091 2.4488 2.5209 2.9010 2.9424 3.1138 3.1787 3.6336 3.7208 4.8381 4.8991 8.4319 8.4434 9.0497 9.0609 11.7743 11.8293 13.3730 13.4404 k = 0.2353 0.2387 0.0000 ( 2073 PWs) bands (ev): -22.5469 -22.5467 -18.0255 -18.0254 -5.5925 -5.5865 -3.8963 -3.8937 -3.5776 -3.5773 -3.2696 -3.2583 0.9570 0.9949 1.4419 1.4499 2.0510 2.1008 2.4544 2.5268 2.8973 2.9384 3.1274 3.1928 3.6380 3.7245 4.8374 4.8980 8.4310 8.4427 9.0139 9.0245 11.8575 11.9126 13.4163 13.4845 k = 0.2255 0.2287 0.0000 ( 2071 PWs) bands (ev): -22.5483 -22.5481 -18.0228 -18.0228 -5.5930 -5.5871 -3.9001 -3.8977 -3.5724 -3.5722 -3.2667 -3.2553 0.9484 0.9862 1.4173 1.4259 2.0437 2.0927 2.4602 2.5328 2.8939 2.9343 3.1432 3.2085 3.6428 3.7287 4.8334 4.8937 8.4288 8.4406 8.9783 8.9883 11.9449 12.0003 13.4609 13.5301 k = 0.2157 0.2188 0.0000 ( 2059 PWs) bands (ev): -22.5497 -22.5495 -18.0201 -18.0200 -5.5943 -5.5885 -3.9022 -3.9001 -3.5671 -3.5669 -3.2652 -3.2537 0.9426 0.9800 1.3916 1.4006 2.0365 2.0846 2.4662 2.5385 2.8908 2.9303 3.1610 3.2259 3.6481 3.7334 4.8261 4.8863 8.4254 8.4374 8.9430 8.9525 12.0363 12.0920 13.5067 13.5770 k = 0.2059 0.2088 0.0000 ( 2055 PWs) bands (ev): -22.5511 -22.5509 -18.0174 -18.0174 -5.5963 -5.5908 -3.9024 -3.9007 -3.5618 -3.5616 -3.2649 -3.2534 0.9393 0.9764 1.3650 1.3743 2.0295 2.0766 2.4722 2.5440 2.8880 2.9262 3.1803 3.2443 3.6538 3.7384 4.8158 4.8758 8.4209 8.4329 8.9084 8.9174 12.1314 12.1876 13.5535 13.6251 k = 0.1961 0.1989 0.0000 ( 2057 PWs) bands (ev): -22.5524 -22.5523 -18.0147 -18.0147 -5.5991 -5.5938 -3.9008 -3.8994 -3.5565 -3.5562 -3.2662 -3.2546 0.9386 0.9752 1.3379 1.3473 2.0225 2.0687 2.4782 2.5490 2.8854 2.9222 3.2010 3.2639 3.6597 3.7436 4.8026 4.8625 8.4152 8.4273 8.8745 8.8831 12.2299 12.2867 13.6011 13.6743 k = 0.1863 0.1889 0.0000 ( 2057 PWs) bands (ev): -22.5538 -22.5536 -18.0121 -18.0121 -5.6027 -5.5976 -3.8975 -3.8964 -3.5511 -3.5509 -3.2688 -3.2573 0.9403 0.9763 1.3104 1.3198 2.0158 2.0609 2.4840 2.5536 2.8830 2.9182 3.2228 3.2843 3.6661 3.7492 4.7867 4.8465 8.4086 8.4206 8.8417 8.8499 12.3316 12.3892 13.6493 13.7243 k = 0.1765 0.1790 0.0000 ( 2065 PWs) bands (ev): -22.5551 -22.5549 -18.0096 -18.0095 -5.6068 -5.6020 -3.8923 -3.8916 -3.5458 -3.5455 -3.2730 -3.2615 0.9443 0.9796 1.2829 1.2921 2.0092 2.0532 2.4897 2.5577 2.8807 2.9143 3.2455 3.3054 3.6728 3.7549 4.7683 4.8280 8.4010 8.4129 8.8101 8.8178 12.4362 12.4950 13.6981 13.7751 k = 0.1667 0.1690 0.0000 ( 2065 PWs) bands (ev): -22.5564 -22.5562 -18.0070 -18.0070 -5.6116 -5.6070 -3.8853 -3.8850 -3.5405 -3.5403 -3.2786 -3.2672 0.9506 0.9850 1.2556 1.2644 2.0029 2.0457 2.4951 2.5613 2.8787 2.9107 3.2688 3.3269 3.6800 3.7611 4.7476 4.8073 8.3927 8.4045 8.7798 8.7871 12.5437 12.6038 13.7470 13.8265 k = 0.1569 0.1591 0.0000 ( 2059 PWs) bands (ev): -22.5576 -22.5574 -18.0046 -18.0046 -5.6168 -5.6125 -3.8767 -3.8766 -3.5353 -3.5351 -3.2856 -3.2744 0.9589 0.9923 1.2288 1.2371 1.9968 2.0383 2.5004 2.5645 2.8770 2.9071 3.2926 3.3487 3.6875 3.7674 4.7252 4.7847 8.3838 8.3953 8.7509 8.7577 12.6537 12.7156 13.7960 13.8782 k = 0.1471 0.1492 0.0000 ( 2059 PWs) bands (ev): -22.5588 -22.5586 -18.0022 -18.0022 -5.6224 -5.6184 -3.8668 -3.8663 -3.5302 -3.5300 -3.2942 -3.2831 0.9689 1.0011 1.2026 1.2103 1.9910 2.0312 2.5053 2.5670 2.8754 2.9037 3.3164 3.3705 3.6953 3.7737 4.7011 4.7604 8.3743 8.3856 8.7235 8.7300 12.7662 12.8301 13.8446 13.9301 k = 0.1373 0.1392 0.0000 ( 2059 PWs) bands (ev): -22.5599 -22.5598 -18.0000 -18.0000 -5.6284 -5.6245 -3.8553 -3.8544 -3.5252 -3.5250 -3.3041 -3.2933 0.9805 1.0113 1.1773 1.1843 1.9856 2.0242 2.5100 2.5689 2.8739 2.9005 3.3402 3.3921 3.7035 3.7802 4.6758 4.7347 8.3645 8.3755 8.6976 8.7038 12.8808 12.9473 13.8926 13.9819 k = 0.1275 0.1293 0.0000 ( 2059 PWs) bands (ev): -22.5610 -22.5609 -17.9978 -17.9978 -5.6344 -5.6309 -3.8424 -3.8411 -3.5204 -3.5203 -3.3154 -3.3048 0.9934 1.0225 1.1532 1.1593 1.9805 2.0175 2.5143 2.5704 2.8727 2.8974 3.3635 3.4131 3.7119 3.7866 4.6498 4.7081 8.3545 8.3650 8.6735 8.6792 12.9973 13.0671 13.9397 14.0335 k = 0.1176 0.1193 0.0000 ( 2063 PWs) bands (ev): -22.5620 -22.5619 -17.9957 -17.9957 -5.6406 -5.6373 -3.8281 -3.8264 -3.5158 -3.5157 -3.3280 -3.3176 1.0073 1.0341 1.1307 1.1353 1.9757 2.0110 2.5184 2.5712 2.8716 2.8945 3.3862 3.4334 3.7207 3.7930 4.6233 4.6807 8.3444 8.3545 8.6510 8.6564 13.1155 13.1894 13.9854 14.0847 k = 0.1078 0.1094 0.0000 ( 2065 PWs) bands (ev): -22.5630 -22.5629 -17.9938 -17.9938 -5.6467 -5.6437 -3.8127 -3.8105 -3.5114 -3.5114 -3.3418 -3.3317 1.0219 1.0454 1.1105 1.1128 1.9714 2.0047 2.5221 2.5716 2.8707 2.8918 3.4081 3.4528 3.7298 3.7992 4.5969 4.6530 8.3345 8.3440 8.6303 8.6352 13.2349 13.3139 14.0294 14.1354 k = 0.0980 0.0994 0.0000 ( 2059 PWs) bands (ev): -22.5638 -22.5638 -17.9920 -17.9920 -5.6527 -5.6500 -3.7961 -3.7935 -3.5073 -3.5073 -3.3566 -3.3469 1.0366 1.0538 1.0920 1.0948 1.9675 1.9987 2.5257 2.5715 2.8699 2.8892 3.4291 3.4711 3.7391 3.8052 4.5710 4.6254 8.3248 8.3337 8.6113 8.6159 13.3552 13.4407 14.0715 14.1857 k = 0.0882 0.0895 0.0000 ( 2057 PWs) bands (ev): -22.5647 -22.5646 -17.9904 -17.9904 -5.6584 -5.6560 -3.7786 -3.7757 -3.5035 -3.5035 -3.3725 -3.3632 1.0502 1.0528 1.0740 1.0901 1.9641 1.9930 2.5290 2.5710 2.8694 2.8868 3.4488 3.4879 3.7486 3.8108 4.5461 4.5983 8.3155 8.3238 8.5942 8.5983 13.4755 13.5694 14.1111 14.2357 k = 0.0784 0.0796 0.0000 ( 2057 PWs) bands (ev): -22.5654 -22.5653 -17.9889 -17.9889 -5.6638 -5.6617 -3.7603 -3.7570 -3.5001 -3.4999 -3.3892 -3.3803 1.0418 1.0500 1.0712 1.0966 1.9611 1.9875 2.5321 2.5700 2.8690 2.8845 3.4672 3.5031 3.7582 3.8158 4.5226 4.5720 8.3068 8.3143 8.5788 8.5826 13.5949 13.6998 14.1481 14.2859 k = 0.0686 0.0696 0.0000 ( 2053 PWs) bands (ev): -22.5660 -22.5660 -17.9875 -17.9875 -5.6687 -5.6669 -3.7415 -3.7379 -3.4970 -3.4968 -3.4065 -3.3981 1.0286 1.0358 1.0837 1.1065 1.9587 1.9824 2.5350 2.5688 2.8688 2.8824 3.4842 3.5167 3.7677 3.8203 4.5011 4.5469 8.2989 8.3056 8.5653 8.5686 13.7117 13.8311 14.1826 14.3373 k = 0.0588 0.0597 0.0000 ( 2053 PWs) bands (ev): -22.5666 -22.5666 -17.9863 -17.9863 -5.6732 -5.6716 -3.7223 -3.7185 -3.4943 -3.4940 -3.4242 -3.4164 1.0161 1.0220 1.0968 1.1165 1.9568 1.9776 2.5379 2.5671 2.8687 2.8805 3.4995 3.5283 3.7770 3.8238 4.4820 4.5235 8.2917 8.2976 8.5536 8.5565 13.8239 13.9615 14.2154 14.3915 k = 0.0490 0.0497 0.0000 ( 2057 PWs) bands (ev): -22.5671 -22.5671 -17.9853 -17.9853 -5.6771 -5.6758 -3.7032 -3.6991 -3.4921 -3.4915 -3.4419 -3.4348 1.0052 1.0099 1.1089 1.1255 1.9555 1.9732 2.5406 2.5653 2.8688 2.8786 3.5131 3.5378 3.7860 3.8263 4.4657 4.5021 8.2856 8.2906 8.5438 8.5462 13.9279 14.0852 14.2516 14.4509 k = 0.0392 0.0398 0.0000 ( 2061 PWs) bands (ev): -22.5675 -22.5675 -17.9845 -17.9845 -5.6803 -5.6793 -3.6845 -3.6804 -3.4904 -3.4895 -3.4591 -3.4530 0.9960 0.9997 1.1197 1.1331 1.9547 1.9691 2.5432 2.5631 2.8691 2.8770 3.5250 3.5452 3.7946 3.8278 4.4527 4.4830 8.2805 8.2845 8.5358 8.5377 14.0200 14.1795 14.3128 14.5184 k = 0.0294 0.0298 0.0000 ( 2049 PWs) bands (ev): -22.5678 -22.5678 -17.9838 -17.9838 -5.6828 -5.6821 -3.6670 -3.6631 -3.4898 -3.4879 -3.4744 -3.4702 0.9889 0.9917 1.1288 1.1390 1.9546 1.9656 2.5458 2.5609 2.8695 2.8755 3.5351 3.5506 3.8026 3.8281 4.4432 4.4668 8.2766 8.2797 8.5296 8.5311 14.0961 14.2213 14.4201 14.5957 k = 0.0196 0.0199 0.0000 ( 2045 PWs) bands (ev): -22.5680 -22.5680 -17.9834 -17.9834 -5.6846 -5.6841 -3.6517 -3.6485 -3.4931 -3.4868 -3.4853 -3.4837 0.9840 0.9858 1.1360 1.1428 1.9550 1.9624 2.5484 2.5585 2.8702 2.8742 3.5430 3.5536 3.8097 3.8271 4.4375 4.4537 8.2739 8.2760 8.5253 8.5262 14.1543 14.2349 14.5460 14.6796 k = 0.0098 0.0099 0.0000 ( 2049 PWs) bands (ev): -22.5682 -22.5682 -17.9831 -17.9831 -5.6857 -5.6854 -3.6405 -3.6386 -3.5002 -3.4968 -3.4859 -3.4852 0.9811 0.9820 1.1410 1.1444 1.9561 1.9598 2.5510 2.5561 2.8709 2.8729 3.5489 3.5542 3.8158 3.8246 4.4358 4.4440 8.2725 8.2735 8.5227 8.5232 14.1953 14.2341 14.6682 14.7517 k = 0.0000 0.0000 0.0000 ( 2045 PWs) bands (ev): -22.5682 -22.5682 -17.9830 -17.9830 -5.6859 -5.6859 -3.6357 -3.6357 -3.5021 -3.5021 -3.4854 -3.4854 0.9805 0.9805 1.1438 1.1438 1.9576 1.9576 2.5536 2.5536 2.8719 2.8719 3.5527 3.5527 3.8208 3.8208 4.4380 4.4380 8.2723 8.2723 8.5221 8.5221 14.2212 14.2212 14.7558 14.7558 k = 0.0000 0.0000 0.0000 ( 2045 PWs) bands (ev): -22.5682 -22.5682 -17.9830 -17.9830 -5.6859 -5.6859 -3.6357 -3.6357 -3.5021 -3.5021 -3.4854 -3.4854 0.9805 0.9805 1.1438 1.1438 1.9576 1.9576 2.5536 2.5536 2.8719 2.8719 3.5527 3.5527 3.8208 3.8208 4.4380 4.4380 8.2723 8.2723 8.5221 8.5221 14.2212 14.2212 14.7558 14.7558 k = 0.0082-0.0081 0.0078 ( 2049 PWs) bands (ev): -22.5682 -22.5682 -17.9831 -17.9831 -5.6862 -5.6862 -3.6363 -3.6363 -3.5021 -3.5021 -3.4856 -3.4856 0.9808 0.9808 1.1446 1.1446 1.9600 1.9600 2.5539 2.5539 2.8722 2.8722 3.5525 3.5525 3.8200 3.8200 4.4379 4.4379 8.2720 8.2720 8.5199 8.5199 14.2097 14.2097 14.7521 14.7521 k = 0.0164-0.0161 0.0157 ( 2047 PWs) bands (ev): -22.5680 -22.5680 -17.9832 -17.9832 -5.6868 -5.6868 -3.6383 -3.6383 -3.5019 -3.5019 -3.4861 -3.4861 0.9818 0.9818 1.1470 1.1470 1.9669 1.9669 2.5551 2.5551 2.8733 2.8733 3.5518 3.5518 3.8175 3.8175 4.4378 4.4378 8.2708 8.2708 8.5134 8.5134 14.1771 14.1771 14.7418 14.7418 k = 0.0245-0.0242 0.0235 ( 2047 PWs) bands (ev): -22.5678 -22.5678 -17.9836 -17.9836 -5.6879 -5.6879 -3.6416 -3.6416 -3.5016 -3.5016 -3.4869 -3.4869 0.9834 0.9834 1.1508 1.1508 1.9784 1.9784 2.5570 2.5570 2.8752 2.8752 3.5507 3.5507 3.8134 3.8134 4.4377 4.4377 8.2690 8.2690 8.5025 8.5025 14.1274 14.1274 14.7269 14.7269 k = 0.0327-0.0323 0.0314 ( 2051 PWs) bands (ev): -22.5675 -22.5675 -17.9840 -17.9840 -5.6895 -5.6895 -3.6461 -3.6461 -3.5013 -3.5013 -3.4880 -3.4880 0.9857 0.9857 1.1562 1.1562 1.9941 1.9941 2.5598 2.5598 2.8777 2.8777 3.5491 3.5491 3.8076 3.8076 4.4376 4.4376 8.2664 8.2664 8.4874 8.4874 14.0656 14.0656 14.7083 14.7083 k = 0.0409-0.0403 0.0392 ( 2051 PWs) bands (ev): -22.5671 -22.5671 -17.9845 -17.9845 -5.6915 -5.6915 -3.6517 -3.6517 -3.5009 -3.5009 -3.4894 -3.4894 0.9887 0.9887 1.1631 1.1631 2.0138 2.0138 2.5636 2.5636 2.8810 2.8810 3.5471 3.5471 3.8004 3.8004 4.4374 4.4374 8.2631 8.2631 8.4682 8.4682 13.9957 13.9957 14.6864 14.6864 k = 0.0491-0.0484 0.0470 ( 2061 PWs) bands (ev): -22.5666 -22.5666 -17.9852 -17.9852 -5.6939 -5.6939 -3.6583 -3.6583 -3.5004 -3.5004 -3.4911 -3.4911 0.9923 0.9923 1.1714 1.1714 2.0370 2.0370 2.5684 2.5684 2.8850 2.8850 3.5446 3.5446 3.7916 3.7916 4.4373 4.4373 8.2592 8.2592 8.4449 8.4449 13.9206 13.9206 14.6610 14.6610 k = 0.0573-0.0565 0.0549 ( 2059 PWs) bands (ev): -22.5660 -22.5660 -17.9860 -17.9860 -5.6967 -5.6967 -3.6659 -3.6659 -3.5000 -3.5000 -3.4929 -3.4929 0.9965 0.9965 1.1812 1.1812 2.0633 2.0633 2.5745 2.5745 2.8899 2.8899 3.5417 3.5417 3.7815 3.7815 4.4373 4.4373 8.2546 8.2546 8.4179 8.4179 13.8426 13.8426 14.6321 14.6321 k = 0.0655-0.0645 0.0627 ( 2049 PWs) bands (ev): -22.5653 -22.5653 -17.9869 -17.9869 -5.6999 -5.6999 -3.6742 -3.6742 -3.5000 -3.5000 -3.4945 -3.4945 1.0014 1.0014 1.1926 1.1926 2.0922 2.0922 2.5820 2.5820 2.8956 2.8956 3.5383 3.5383 3.7703 3.7703 4.4375 4.4375 8.2494 8.2494 8.3872 8.3872 13.7632 13.7632 14.5997 14.5997 k = 0.0736-0.0726 0.0706 ( 2057 PWs) bands (ev): -22.5646 -22.5646 -17.9879 -17.9879 -5.7035 -5.7035 -3.6832 -3.6832 -3.5009 -3.5009 -3.4954 -3.4954 1.0069 1.0069 1.2052 1.2052 2.1228 2.1228 2.5912 2.5912 2.9019 2.9019 3.5344 3.5344 3.7578 3.7578 4.4378 4.4378 8.2437 8.2437 8.3531 8.3531 13.6832 13.6832 14.5636 14.5636 k = 0.0818-0.0807 0.0784 ( 2057 PWs) bands (ev): -22.5638 -22.5638 -17.9890 -17.9890 -5.7075 -5.7075 -3.6926 -3.6926 -3.5031 -3.5031 -3.4952 -3.4952 1.0129 1.0129 1.2193 1.2193 2.1543 2.1543 2.6023 2.6023 2.9092 2.9092 3.5299 3.5299 3.7444 3.7444 4.4384 4.4384 8.2375 8.2375 8.3159 8.3159 13.6036 13.6036 14.5240 14.5240 k = 0.0900-0.0887 0.0863 ( 2057 PWs) bands (ev): -22.5629 -22.5629 -17.9903 -17.9903 -5.7117 -5.7117 -3.7024 -3.7024 -3.5059 -3.5059 -3.4945 -3.4945 1.0196 1.0196 1.2346 1.2346 2.1858 2.1858 2.6157 2.6157 2.9174 2.9174 3.5250 3.5250 3.7301 3.7301 4.4394 4.4394 8.2306 8.2306 8.2761 8.2761 13.5248 13.5248 14.4810 14.4810 k = 0.0982-0.0968 0.0941 ( 2057 PWs) bands (ev): -22.5620 -22.5620 -17.9916 -17.9916 -5.7163 -5.7163 -3.7123 -3.7123 -3.5092 -3.5092 -3.4936 -3.4936 1.0269 1.0269 1.2512 1.2512 2.2165 2.2165 2.6315 2.6315 2.9267 2.9267 3.5195 3.5195 3.7153 3.7153 4.4407 4.4407 8.2209 8.2209 8.2363 8.2363 13.4472 13.4472 14.4346 14.4346 k = 0.1064-0.1049 0.1019 ( 2061 PWs) bands (ev): -22.5610 -22.5610 -17.9930 -17.9930 -5.7211 -5.7211 -3.7223 -3.7223 -3.5127 -3.5127 -3.4926 -3.4926 1.0347 1.0347 1.2690 1.2690 2.2454 2.2454 2.6497 2.6497 2.9372 2.9372 3.5134 3.5134 3.6999 3.6999 4.4426 4.4426 8.1861 8.1861 8.2191 8.2191 13.3710 13.3710 14.3849 14.3849 k = 0.1146-0.1129 0.1098 ( 2057 PWs) bands (ev): -22.5599 -22.5599 -17.9945 -17.9945 -5.7262 -5.7262 -3.7321 -3.7321 -3.5165 -3.5165 -3.4915 -3.4915 1.0430 1.0430 1.2880 1.2880 2.2720 2.2720 2.6704 2.6704 2.9492 2.9492 3.5069 3.5069 3.6844 3.6844 4.4451 4.4451 8.1402 8.1402 8.2111 8.2111 13.2966 13.2966 14.3322 14.3322 k = 0.1227-0.1210 0.1176 ( 2061 PWs) bands (ev): -22.5588 -22.5588 -17.9961 -17.9961 -5.7314 -5.7314 -3.7417 -3.7417 -3.5205 -3.5205 -3.4904 -3.4904 1.0519 1.0519 1.3080 1.3080 2.2955 2.2955 2.6928 2.6928 2.9628 2.9628 3.4996 3.4996 3.6688 3.6688 4.4482 4.4482 8.0925 8.0925 8.2035 8.2035 13.2240 13.2240 14.2766 14.2766 k = 0.1309-0.1291 0.1255 ( 2059 PWs) bands (ev): -22.5576 -22.5576 -17.9978 -17.9978 -5.7368 -5.7368 -3.7509 -3.7509 -3.5246 -3.5246 -3.4893 -3.4893 1.0613 1.0613 1.3289 1.3289 2.3160 2.3160 2.7163 2.7163 2.9783 2.9783 3.4920 3.4920 3.6533 3.6533 4.4522 4.4522 8.0440 8.0440 8.1961 8.1961 13.1534 13.1534 14.2182 14.2182 k = 0.1391-0.1371 0.1333 ( 2063 PWs) bands (ev): -22.5565 -22.5565 -17.9996 -17.9996 -5.7423 -5.7423 -3.7596 -3.7596 -3.5289 -3.5289 -3.4882 -3.4882 1.0711 1.0711 1.3507 1.3507 2.3333 2.3333 2.7397 2.7397 2.9959 2.9959 3.4838 3.4838 3.6383 3.6383 4.4569 4.4569 7.9951 7.9951 8.1887 8.1887 13.0848 13.0848 14.1573 14.1573 k = 0.1473-0.1452 0.1411 ( 2057 PWs) bands (ev): -22.5552 -22.5552 -18.0014 -18.0014 -5.7478 -5.7478 -3.7677 -3.7677 -3.5332 -3.5332 -3.4871 -3.4871 1.0815 1.0815 1.3733 1.3733 2.3478 2.3478 2.7621 2.7621 3.0157 3.0157 3.4755 3.4755 3.6240 3.6240 4.4625 4.4625 7.9466 7.9466 8.1814 8.1814 13.0183 13.0183 14.0939 14.0939 k = 0.1555-0.1533 0.1490 ( 2069 PWs) bands (ev): -22.5540 -22.5540 -18.0033 -18.0033 -5.7533 -5.7533 -3.7751 -3.7751 -3.5377 -3.5377 -3.4860 -3.4860 1.0922 1.0922 1.3965 1.3965 2.3597 2.3597 2.7824 2.7824 3.0371 3.0371 3.4670 3.4670 3.6101 3.6101 4.4689 4.4689 7.8991 7.8991 8.1744 8.1744 12.9540 12.9540 14.0284 14.0284 k = 0.1636-0.1613 0.1568 ( 2077 PWs) bands (ev): -22.5527 -22.5527 -18.0053 -18.0053 -5.7588 -5.7588 -3.7817 -3.7817 -3.5423 -3.5423 -3.4850 -3.4850 1.1034 1.1034 1.4203 1.4203 2.3694 2.3694 2.8001 2.8001 3.0597 3.0597 3.4587 3.4587 3.5972 3.5972 4.4761 4.4761 7.8532 7.8532 8.1676 8.1676 12.8919 12.8919 13.9608 13.9608 k = 0.1718-0.1694 0.1647 ( 2077 PWs) bands (ev): -22.5514 -22.5514 -18.0073 -18.0073 -5.7641 -5.7641 -3.7875 -3.7875 -3.5469 -3.5469 -3.4840 -3.4840 1.1150 1.1150 1.4444 1.4444 2.3773 2.3773 2.8150 2.8150 3.0827 3.0827 3.4509 3.4509 3.5850 3.5850 4.4841 4.4841 7.8098 7.8098 8.1612 8.1612 12.8320 12.8320 13.8913 13.8913 k = 0.1800-0.1775 0.1725 ( 2071 PWs) bands (ev): -22.5501 -22.5501 -18.0093 -18.0093 -5.7693 -5.7693 -3.7924 -3.7924 -3.5515 -3.5515 -3.4831 -3.4831 1.1269 1.1269 1.4687 1.4687 2.3838 2.3838 2.8271 2.8272 3.1048 3.1048 3.4440 3.4440 3.5737 3.5737 4.4927 4.4927 7.7695 7.7695 8.1552 8.1552 12.7743 12.7743 13.8202 13.8202 k = 0.1882-0.1855 0.1803 ( 2073 PWs) bands (ev): -22.5488 -22.5488 -18.0114 -18.0114 -5.7742 -5.7742 -3.7964 -3.7964 -3.5562 -3.5562 -3.4823 -3.4823 1.1392 1.1392 1.4931 1.4931 2.3889 2.3889 2.8367 2.8367 3.1250 3.1250 3.4382 3.4382 3.5631 3.5631 4.5017 4.5017 7.7332 7.7332 8.1497 8.1497 12.7189 12.7189 13.7476 13.7476 k = 0.1964-0.1936 0.1882 ( 2069 PWs) bands (ev): -22.5475 -22.5475 -18.0136 -18.0136 -5.7788 -5.7788 -3.7994 -3.7994 -3.5608 -3.5608 -3.4815 -3.4815 1.1519 1.1519 1.5173 1.5173 2.3930 2.3930 2.8440 2.8440 3.1424 3.1424 3.4336 3.4336 3.5532 3.5532 4.5108 4.5108 7.7015 7.7015 8.1447 8.1447 12.6658 12.6658 13.6736 13.6736 k = 0.2046-0.2017 0.1960 ( 2069 PWs) bands (ev): -22.5462 -22.5462 -18.0157 -18.0157 -5.7831 -5.7831 -3.8015 -3.8015 -3.5654 -3.5654 -3.4808 -3.4808 1.1647 1.1647 1.5412 1.5412 2.3962 2.3962 2.8492 2.8493 3.1564 3.1564 3.4302 3.4302 3.5439 3.5439 4.5196 4.5196 7.6754 7.6754 8.1403 8.1403 12.6149 12.6149 13.5985 13.5985 k = 0.2127-0.2097 0.2039 ( 2069 PWs) bands (ev): -22.5449 -22.5449 -18.0179 -18.0179 -5.7870 -5.7870 -3.8026 -3.8026 -3.5700 -3.5700 -3.4802 -3.4802 1.1779 1.1779 1.5645 1.5645 2.3987 2.3987 2.8528 2.8528 3.1671 3.1671 3.4277 3.4277 3.5351 3.5351 4.5277 4.5277 7.6555 7.6555 8.1364 8.1364 12.5662 12.5662 13.5224 13.5224 k = 0.2209-0.2178 0.2117 ( 2071 PWs) bands (ev): -22.5436 -22.5436 -18.0201 -18.0201 -5.7904 -5.7904 -3.8027 -3.8027 -3.5745 -3.5745 -3.4798 -3.4798 1.1912 1.1912 1.5871 1.5871 2.4006 2.4006 2.8547 2.8547 3.1745 3.1745 3.4257 3.4257 3.5269 3.5269 4.5347 4.5347 7.6425 7.6425 8.1333 8.1333 12.5199 12.5199 13.4455 13.4455 k = 0.2291-0.2259 0.2195 ( 2073 PWs) bands (ev): -22.5423 -22.5423 -18.0224 -18.0224 -5.7934 -5.7934 -3.8018 -3.8018 -3.5790 -3.5790 -3.4794 -3.4794 1.2047 1.2047 1.6086 1.6086 2.4020 2.4020 2.8554 2.8554 3.1793 3.1793 3.4234 3.4234 3.5191 3.5191 4.5401 4.5401 7.6370 7.6370 8.1308 8.1308 12.4758 12.4758 13.3679 13.3679 k = 0.2373-0.2339 0.2274 ( 2077 PWs) bands (ev): -22.5411 -22.5411 -18.0246 -18.0246 -5.7959 -5.7959 -3.8001 -3.8001 -3.5834 -3.5834 -3.4791 -3.4791 1.2184 1.2184 1.6289 1.6289 2.4029 2.4029 2.8549 2.8549 3.1820 3.1820 3.4204 3.4204 3.5117 3.5117 4.5435 4.5435 7.6393 7.6393 8.1289 8.1289 12.4340 12.4340 13.2898 13.2898 k = 0.2455-0.2420 0.2352 ( 2073 PWs) bands (ev): -22.5399 -22.5399 -18.0268 -18.0268 -5.7977 -5.7977 -3.7974 -3.7974 -3.5876 -3.5876 -3.4789 -3.4789 1.2322 1.2322 1.6478 1.6478 2.4035 2.4035 2.8535 2.8535 3.1832 3.1832 3.4161 3.4161 3.5047 3.5047 4.5447 4.5447 7.6500 7.6500 8.1279 8.1279 12.3945 12.3945 13.2114 13.2114 k = 0.2536-0.2501 0.2431 ( 2073 PWs) bands (ev): -22.5387 -22.5387 -18.0291 -18.0291 -5.7991 -5.7991 -3.7938 -3.7938 -3.5918 -3.5918 -3.4788 -3.4788 1.2461 1.2461 1.6650 1.6650 2.4038 2.4038 2.8512 2.8512 3.1834 3.1834 3.4100 3.4101 3.4981 3.4981 4.5433 4.5433 7.6689 7.6689 8.1275 8.1275 12.3573 12.3573 13.1329 13.1329 k = 0.2618-0.2581 0.2509 ( 2073 PWs) bands (ev): -22.5375 -22.5375 -18.0313 -18.0313 -5.7998 -5.7998 -3.7894 -3.7894 -3.5958 -3.5958 -3.4788 -3.4788 1.2600 1.2600 1.6805 1.6805 2.4038 2.4038 2.8480 2.8480 3.1828 3.1828 3.4022 3.4022 3.4921 3.4921 4.5394 4.5394 7.6962 7.6962 8.1279 8.1279 12.3225 12.3225 13.0543 13.0543 k = 0.2700-0.2662 0.2588 ( 2065 PWs) bands (ev): -22.5364 -22.5364 -18.0335 -18.0335 -5.7999 -5.7999 -3.7842 -3.7842 -3.5997 -3.5997 -3.4789 -3.4789 1.2740 1.2740 1.6939 1.6939 2.4037 2.4037 2.8441 2.8441 3.1817 3.1817 3.3927 3.3927 3.4867 3.4867 4.5331 4.5331 7.7315 7.7315 8.1289 8.1289 12.2901 12.2901 12.9760 12.9760 k = 0.2782-0.2743 0.2666 ( 2069 PWs) bands (ev): -22.5353 -22.5353 -18.0356 -18.0356 -5.7994 -5.7994 -3.7783 -3.7783 -3.6035 -3.6035 -3.4791 -3.4791 1.2879 1.2879 1.7053 1.7053 2.4032 2.4032 2.8392 2.8392 3.1799 3.1799 3.3815 3.3815 3.4820 3.4820 4.5244 4.5244 7.7746 7.7746 8.1306 8.1306 12.2600 12.2600 12.8979 12.8979 k = 0.2864-0.2823 0.2744 ( 2061 PWs) bands (ev): -22.5343 -22.5343 -18.0378 -18.0378 -5.7983 -5.7983 -3.7716 -3.7716 -3.6071 -3.6071 -3.4794 -3.4794 1.3017 1.3017 1.7146 1.7146 2.4027 2.4027 2.8333 2.8333 3.1774 3.1774 3.3694 3.3694 3.4783 3.4783 4.5137 4.5137 7.8250 7.8250 8.1330 8.1330 12.2325 12.2325 12.8204 12.8204 k = 0.2946-0.2904 0.2823 ( 2069 PWs) bands (ev): -22.5333 -22.5333 -18.0399 -18.0399 -5.7966 -5.7966 -3.7644 -3.7644 -3.6106 -3.6106 -3.4798 -3.4798 1.3155 1.3155 1.7216 1.7216 2.4020 2.4020 2.8260 2.8260 3.1736 3.1736 3.3570 3.3570 3.4755 3.4755 4.5011 4.5011 7.8819 7.8819 8.1360 8.1360 12.2073 12.2073 12.7436 12.7436 k = 0.3027-0.2985 0.2901 ( 2073 PWs) bands (ev): -22.5323 -22.5323 -18.0420 -18.0420 -5.7943 -5.7943 -3.7565 -3.7565 -3.6140 -3.6140 -3.4803 -3.4803 1.3291 1.3291 1.7265 1.7265 2.4012 2.4012 2.8170 2.8170 3.1681 3.1681 3.3452 3.3452 3.4739 3.4739 4.4873 4.4873 7.9447 7.9447 8.1396 8.1396 12.1848 12.1848 12.6677 12.6677 k = 0.3109-0.3065 0.2980 ( 2081 PWs) bands (ev): -22.5314 -22.5314 -18.0440 -18.0440 -5.7914 -5.7914 -3.7481 -3.7481 -3.6171 -3.6171 -3.4809 -3.4809 1.3425 1.3425 1.7293 1.7293 2.4002 2.4002 2.8059 2.8059 3.1604 3.1604 3.3348 3.3348 3.4738 3.4738 4.4725 4.4725 8.0127 8.0127 8.1437 8.1437 12.1648 12.1648 12.5928 12.5928 k = 0.3191-0.3146 0.3058 ( 2085 PWs) bands (ev): -22.5306 -22.5306 -18.0460 -18.0460 -5.7881 -5.7881 -3.7393 -3.7393 -3.6202 -3.6202 -3.4815 -3.4815 1.3557 1.3557 1.7302 1.7302 2.3991 2.3991 2.7925 2.7926 3.1504 3.1504 3.3267 3.3267 3.4754 3.4754 4.4571 4.4571 8.0849 8.0849 8.1484 8.1484 12.1474 12.1474 12.5193 12.5193 k = 0.3273-0.3227 0.3136 ( 2091 PWs) bands (ev): -22.5297 -22.5297 -18.0479 -18.0479 -5.7842 -5.7842 -3.7301 -3.7301 -3.6230 -3.6230 -3.4822 -3.4822 1.3687 1.3687 1.7293 1.7293 2.3979 2.3979 2.7764 2.7764 3.1381 3.1381 3.3208 3.3208 3.4789 3.4789 4.4414 4.4414 8.1512 8.1512 8.1632 8.1632 12.1326 12.1326 12.4473 12.4473 k = 0.3355-0.3307 0.3215 ( 2094 PWs) bands (ev): -22.5290 -22.5290 -18.0498 -18.0498 -5.7799 -5.7799 -3.7206 -3.7206 -3.6257 -3.6257 -3.4829 -3.4829 1.3813 1.3813 1.7267 1.7267 2.3966 2.3966 2.7572 2.7572 3.1241 3.1241 3.3170 3.3170 3.4846 3.4846 4.4259 4.4259 8.1582 8.1582 8.2404 8.2404 12.1205 12.1205 12.3773 12.3773 k = 0.3437-0.3388 0.3293 ( 2102 PWs) bands (ev): -22.5283 -22.5283 -18.0516 -18.0516 -5.7752 -5.7752 -3.7108 -3.7108 -3.6282 -3.6282 -3.4837 -3.4837 1.3936 1.3936 1.7228 1.7228 2.3951 2.3951 2.7348 2.7348 3.1092 3.1092 3.3147 3.3147 3.4927 3.4927 4.4106 4.4106 8.1639 8.1639 8.3212 8.3212 12.1107 12.1107 12.3096 12.3096 k = 0.3518-0.3469 0.3372 ( 2106 PWs) bands (ev): -22.5276 -22.5276 -18.0533 -18.0533 -5.7701 -5.7701 -3.7008 -3.7008 -3.6306 -3.6306 -3.4845 -3.4845 1.4056 1.4056 1.7176 1.7176 2.3935 2.3935 2.7093 2.7093 3.0942 3.0942 3.3132 3.3132 3.5032 3.5032 4.3959 4.3959 8.1698 8.1698 8.4033 8.4033 12.1025 12.1025 12.2454 12.2454 k = 0.3600-0.3550 0.3450 ( 2104 PWs) bands (ev): -22.5270 -22.5270 -18.0550 -18.0550 -5.7648 -5.7648 -3.6908 -3.6908 -3.6328 -3.6328 -3.4853 -3.4853 1.4171 1.4171 1.7114 1.7114 2.3917 2.3917 2.6810 2.6810 3.0798 3.0798 3.3122 3.3122 3.5159 3.5159 4.3818 4.3818 8.1759 8.1759 8.4860 8.4860 12.0931 12.0931 12.1879 12.1879 k = 0.3682-0.3630 0.3528 ( 2104 PWs) bands (ev): -22.5264 -22.5264 -18.0565 -18.0565 -5.7593 -5.7593 -3.6808 -3.6808 -3.6348 -3.6348 -3.4861 -3.4861 1.4282 1.4282 1.7044 1.7044 2.3896 2.3896 2.6504 2.6504 3.0662 3.0662 3.3111 3.3111 3.5308 3.5308 4.3685 4.3685 8.1821 8.1821 8.5685 8.5685 12.0722 12.0722 12.1478 12.1478 k = 0.3764-0.3711 0.3607 ( 2098 PWs) bands (ev): -22.5258 -22.5258 -18.0581 -18.0581 -5.7536 -5.7536 -3.6708 -3.6708 -3.6366 -3.6366 -3.4870 -3.4870 1.4388 1.4388 1.6969 1.6969 2.3870 2.3870 2.6182 2.6182 3.0538 3.0538 3.3099 3.3099 3.5473 3.5473 4.3560 4.3560 8.1884 8.1884 8.6501 8.6501 12.0299 12.0299 12.1350 12.1350 k = 0.3846-0.3792 0.3685 ( 2094 PWs) bands (ev): -22.5253 -22.5253 -18.0595 -18.0595 -5.7478 -5.7478 -3.6611 -3.6611 -3.6381 -3.6381 -3.4878 -3.4878 1.4489 1.4489 1.6889 1.6889 2.3839 2.3839 2.5853 2.5853 3.0425 3.0425 3.3085 3.3085 3.5651 3.5651 4.3445 4.3445 8.1945 8.1945 8.7301 8.7301 11.9785 11.9785 12.1378 12.1378 k = 0.3927-0.3872 0.3764 ( 2090 PWs) bands (ev): -22.5249 -22.5249 -18.0608 -18.0608 -5.7421 -5.7421 -3.6520 -3.6520 -3.6391 -3.6391 -3.4886 -3.4886 1.4584 1.4584 1.6808 1.6808 2.3800 2.3800 2.5524 2.5524 3.0323 3.0323 3.3070 3.3070 3.5838 3.5838 4.3338 4.3338 8.2006 8.2006 8.8079 8.8079 11.9264 11.9264 12.1481 12.1481 k = 0.4009-0.3953 0.3842 ( 2090 PWs) bands (ev): -22.5244 -22.5244 -18.0621 -18.0621 -5.7364 -5.7364 -3.6455 -3.6455 -3.6377 -3.6377 -3.4894 -3.4894 1.4673 1.4673 1.6726 1.6726 2.3745 2.3745 2.5210 2.5210 3.0231 3.0231 3.3052 3.3052 3.6029 3.6029 4.3241 4.3241 8.2066 8.2066 8.8827 8.8827 11.8761 11.8761 12.1636 12.1636 k = 0.4091-0.4034 0.3920 ( 2088 PWs) bands (ev): -22.5241 -22.5241 -18.0632 -18.0632 -5.7308 -5.7308 -3.6445 -3.6445 -3.6310 -3.6310 -3.4902 -3.4902 1.4756 1.4756 1.6646 1.6646 2.3669 2.3669 2.4923 2.4923 3.0149 3.0149 3.3033 3.3033 3.6219 3.6219 4.3153 4.3153 8.2123 8.2123 8.9541 8.9541 11.8285 11.8285 12.1838 12.1838 k = 0.4173-0.4114 0.3999 ( 2088 PWs) bands (ev): -22.5237 -22.5237 -18.0643 -18.0643 -5.7254 -5.7254 -3.6451 -3.6451 -3.6230 -3.6230 -3.4909 -3.4909 1.4831 1.4831 1.6568 1.6568 2.3562 2.3562 2.4680 2.4680 3.0075 3.0075 3.3014 3.3014 3.6406 3.6406 4.3074 4.3074 8.2177 8.2177 9.0214 9.0214 11.7841 11.7841 12.2085 12.2085 k = 0.4255-0.4195 0.4077 ( 2096 PWs) bands (ev): -22.5234 -22.5234 -18.0653 -18.0653 -5.7203 -5.7203 -3.6460 -3.6460 -3.6151 -3.6151 -3.4916 -3.4916 1.4900 1.4900 1.6495 1.6495 2.3417 2.3417 2.4491 2.4491 3.0010 3.0010 3.2994 3.2994 3.6584 3.6584 4.3004 4.3004 8.2228 8.2228 9.0841 9.0841 11.7431 11.7431 12.2374 12.2374 k = 0.4255-0.4195 0.4077 ( 2096 PWs) bands (ev): -22.5234 -22.5234 -18.0653 -18.0653 -5.7203 -5.7203 -3.6460 -3.6460 -3.6151 -3.6151 -3.4916 -3.4916 1.4900 1.4900 1.6495 1.6495 2.3417 2.3417 2.4491 2.4491 3.0010 3.0010 3.2994 3.2994 3.6584 3.6584 4.3004 4.3004 8.2228 8.2228 9.0841 9.0841 11.7431 11.7431 12.2374 12.2374 k = 0.4277-0.4069 0.4028 ( 2092 PWs) bands (ev): -22.5236 -22.5236 -18.0647 -18.0647 -5.7234 -5.7232 -3.6455 -3.6454 -3.6210 -3.6206 -3.4907 -3.4904 1.4860 1.4861 1.6505 1.6551 2.3493 2.3532 2.4599 2.4611 3.0047 3.0052 3.2993 3.3009 3.6457 3.6482 4.3039 4.3082 8.2199 8.2202 9.0452 9.0459 11.7565 11.7656 12.2219 12.2321 k = 0.4299-0.3944 0.3978 ( 2092 PWs) bands (ev): -22.5239 -22.5239 -18.0639 -18.0639 -5.7263 -5.7258 -3.6452 -3.6447 -3.6284 -3.6276 -3.4886 -3.4879 1.4821 1.4823 1.6492 1.6585 2.3564 2.3621 2.4716 2.4774 3.0085 3.0097 3.2983 3.3012 3.6329 3.6361 4.3109 4.3183 8.2177 8.2182 9.0055 9.0067 11.7550 11.7724 12.2273 12.2468 k = 0.4320-0.3818 0.3929 ( 2090 PWs) bands (ev): -22.5242 -22.5242 -18.0631 -18.0631 -5.7288 -5.7281 -3.6457 -3.6445 -3.6368 -3.6351 -3.4854 -3.4843 1.4785 1.4789 1.6455 1.6596 2.3632 2.3688 2.4838 2.4975 3.0125 3.0144 3.2966 3.3003 3.6205 3.6224 4.3211 4.3304 8.2162 8.2170 8.9651 8.9669 11.7394 11.7624 12.2543 12.2805 k = 0.4342-0.3693 0.3879 ( 2095 PWs) bands (ev): -22.5246 -22.5246 -18.0622 -18.0621 -5.7310 -5.7301 -3.6509 -3.6500 -3.6409 -3.6393 -3.4812 -3.4798 1.4752 1.4758 1.6396 1.6584 2.3698 2.3740 2.4964 2.5208 3.0166 3.0193 3.2943 3.2980 3.6073 3.6084 4.3342 4.3441 8.2153 8.2164 8.9242 8.9265 11.7131 11.7390 12.2997 12.3300 k = 0.4364-0.3568 0.3830 ( 2095 PWs) bands (ev): -22.5250 -22.5250 -18.0611 -18.0611 -5.7329 -5.7318 -3.6614 -3.6613 -3.6403 -3.6395 -3.4762 -3.4745 1.4722 1.4729 1.6315 1.6549 2.3764 2.3781 2.5093 2.5465 3.0208 3.0244 3.2917 3.2945 3.5914 3.5969 4.3496 4.3593 8.2152 8.2165 8.8830 8.8857 11.6798 11.7068 12.3589 12.3913 k = 0.4386-0.3442 0.3781 ( 2099 PWs) bands (ev): -22.5254 -22.5254 -18.0601 -18.0600 -5.7345 -5.7331 -3.6742 -3.6739 -3.6392 -3.6386 -3.4705 -3.4684 1.4695 1.4704 1.6214 1.6493 2.3817 2.3828 2.5222 2.5740 3.0253 3.0295 3.2889 3.2898 3.5747 3.5861 4.3671 4.3757 8.2157 8.2172 8.8418 8.8449 11.6423 11.6693 12.4281 12.4617 k = 0.4408-0.3317 0.3731 ( 2095 PWs) bands (ev): -22.5259 -22.5259 -18.0589 -18.0589 -5.7357 -5.7341 -3.6882 -3.6876 -3.6379 -3.6375 -3.4641 -3.4618 1.4672 1.4682 1.6095 1.6416 2.3850 2.3893 2.5351 2.6028 3.0300 3.0346 3.2841 3.2862 3.5578 3.5762 4.3861 4.3929 8.2169 8.2186 8.8006 8.8041 11.6027 11.6291 12.5047 12.5391 k = 0.4430-0.3191 0.3682 ( 2091 PWs) bands (ev): -22.5264 -22.5264 -18.0577 -18.0576 -5.7365 -5.7348 -3.7031 -3.7024 -3.6364 -3.6361 -3.4573 -3.4547 1.4652 1.4663 1.5960 1.6319 2.3882 2.3956 2.5479 2.6326 3.0350 3.0397 3.2772 3.2837 3.5408 3.5672 4.4063 4.4108 8.2187 8.2206 8.7598 8.7636 11.5621 11.5877 12.5873 12.6223 k = 0.4452-0.3066 0.3632 ( 2086 PWs) bands (ev): -22.5270 -22.5269 -18.0564 -18.0564 -5.7369 -5.7351 -3.7188 -3.7179 -3.6349 -3.6347 -3.4500 -3.4471 1.4636 1.4647 1.5811 1.6205 2.3913 2.4017 2.5605 2.6627 3.0404 3.0444 3.2694 3.2815 3.5241 3.5593 4.4272 4.4289 8.2211 8.2231 8.7194 8.7235 11.5214 11.5461 12.6746 12.7102 k = 0.4474-0.2940 0.3583 ( 2083 PWs) bands (ev): -22.5276 -22.5275 -18.0551 -18.0550 -5.7370 -5.7350 -3.7351 -3.7341 -3.6333 -3.6331 -3.4423 -3.4393 1.4623 1.4634 1.5650 1.6075 2.3943 2.4076 2.5731 2.6930 3.0463 3.0488 3.2606 3.2798 3.5078 3.5527 4.4471 4.4485 8.2239 8.2261 8.6796 8.6840 11.4811 11.5047 12.7662 12.8024 k = 0.4496-0.2815 0.3533 ( 2080 PWs) bands (ev): -22.5282 -22.5281 -18.0537 -18.0537 -5.7367 -5.7346 -3.7520 -3.7509 -3.6317 -3.6315 -3.4344 -3.4312 1.4614 1.4623 1.5480 1.5932 2.3973 2.4131 2.5853 2.7228 3.0527 3.0528 3.2510 3.2785 3.4923 3.5474 4.4651 4.4698 8.2273 8.2296 8.6407 8.6453 11.4414 11.4641 12.8614 12.8984 k = 0.4518-0.2689 0.3484 ( 2078 PWs) bands (ev): -22.5288 -22.5287 -18.0523 -18.0523 -5.7360 -5.7338 -3.7694 -3.7682 -3.6300 -3.6299 -3.4262 -3.4228 1.4607 1.4614 1.5303 1.5777 2.4002 2.4183 2.5974 2.7518 3.0559 3.0602 3.2408 3.2778 3.4778 3.5438 4.4827 4.4908 8.2310 8.2335 8.6028 8.6075 11.4028 11.4244 12.9600 12.9979 k = 0.4540-0.2564 0.3434 ( 2076 PWs) bands (ev): -22.5294 -22.5293 -18.0509 -18.0509 -5.7350 -5.7327 -3.7871 -3.7858 -3.6283 -3.6282 -3.4178 -3.4144 1.4603 1.4607 1.5121 1.5615 2.4031 2.4229 2.6093 2.7794 3.0585 3.0686 3.2300 3.2775 3.4645 3.5419 4.4996 4.5112 8.2352 8.2377 8.5659 8.5708 11.3652 11.3859 13.0616 13.1005 k = 0.4562-0.2438 0.3385 ( 2078 PWs) bands (ev): -22.5300 -22.5300 -18.0495 -18.0494 -5.7337 -5.7313 -3.8051 -3.8037 -3.6266 -3.6265 -3.4094 -3.4058 1.4597 1.4599 1.4939 1.5448 2.4058 2.4271 2.6208 2.8048 3.0602 3.0781 3.2190 3.2773 3.4528 3.5420 4.5157 4.5308 8.2396 8.2422 8.5304 8.5353 11.3289 11.3487 13.1660 13.2061 k = 0.4584-0.2313 0.3335 ( 2078 PWs) bands (ev): -22.5307 -22.5306 -18.0481 -18.0480 -5.7320 -5.7296 -3.8232 -3.8217 -3.6248 -3.6247 -3.4009 -3.3973 1.4583 1.4584 1.4771 1.5281 2.4084 2.4307 2.6322 2.8278 3.0613 3.0889 3.2078 3.2772 3.4429 3.5443 4.5307 4.5492 8.2443 8.2470 8.4962 8.5013 11.2939 11.3127 13.2730 13.3144 k = 0.4605-0.2187 0.3286 ( 2077 PWs) bands (ev): -22.5313 -22.5313 -18.0467 -18.0466 -5.7300 -5.7276 -3.8413 -3.8398 -3.6231 -3.6230 -3.3924 -3.3887 1.4497 1.4560 1.4676 1.5124 2.4109 2.4338 2.6434 2.8476 3.0616 3.1007 3.1968 3.2768 3.4353 3.5490 4.5445 4.5663 8.2492 8.2519 8.4636 8.4687 11.2604 11.2783 13.3823 13.4252 k = 0.4627-0.2062 0.3237 ( 2076 PWs) bands (ev): -22.5320 -22.5319 -18.0453 -18.0452 -5.7278 -5.7254 -3.8593 -3.8578 -3.6214 -3.6213 -3.3839 -3.3803 1.4334 1.4513 1.4662 1.4991 2.4133 2.4363 2.6543 2.8641 3.0614 3.1129 3.1866 3.2761 3.4304 3.5559 4.5570 4.5819 8.2542 8.2570 8.4326 8.4377 11.2284 11.2453 13.4937 13.5382 k = 0.4649-0.1937 0.3187 ( 2076 PWs) bands (ev): -22.5326 -22.5325 -18.0439 -18.0439 -5.7253 -5.7229 -3.8771 -3.8756 -3.6197 -3.6197 -3.3756 -3.3720 1.4156 1.4426 1.4668 1.4897 2.4155 2.4383 2.6650 2.8770 3.0606 3.1241 3.1780 3.2747 3.4288 3.5651 4.5681 4.5958 8.2592 8.2621 8.4033 8.4084 11.1978 11.2138 13.6071 13.6532 k = 0.4671-0.1811 0.3138 ( 2077 PWs) bands (ev): -22.5332 -22.5331 -18.0426 -18.0425 -5.7226 -5.7203 -3.8947 -3.8931 -3.6181 -3.6181 -3.3674 -3.3639 1.3980 1.4300 1.4681 1.4848 2.4175 2.4398 2.6754 2.8865 3.0593 3.1313 3.1735 3.2728 3.4309 3.5764 4.5776 4.6079 8.2642 8.2672 8.3759 8.3810 11.1689 11.1839 13.7220 13.7699 k = 0.4693-0.1686 0.3088 ( 2074 PWs) bands (ev): -22.5338 -22.5337 -18.0413 -18.0412 -5.7198 -5.7175 -3.9117 -3.9102 -3.6165 -3.6165 -3.3595 -3.3560 1.3808 1.4149 1.4697 1.4828 2.4193 2.4409 2.6857 2.8929 3.0578 3.1313 3.1754 3.2703 3.4373 3.5895 4.5856 4.6181 8.2691 8.2722 8.3504 8.3555 11.1415 11.1557 13.8382 13.8879 k = 0.4715-0.1560 0.3039 ( 2074 PWs) bands (ev): -22.5344 -22.5343 -18.0400 -18.0400 -5.7168 -5.7146 -3.9282 -3.9267 -3.6150 -3.6150 -3.3518 -3.3485 1.3644 1.3987 1.4715 1.4824 2.4210 2.4415 2.6958 2.8965 3.0560 3.1257 3.1816 3.2672 3.4481 3.6038 4.5921 4.6264 8.2736 8.2769 8.3270 8.3322 11.1159 11.1291 13.9552 14.0068 k = 0.4737-0.1435 0.2989 ( 2078 PWs) bands (ev): -22.5349 -22.5349 -18.0389 -18.0388 -5.7138 -5.7116 -3.9441 -3.9427 -3.6135 -3.6135 -3.3445 -3.3413 1.3488 1.3823 1.4735 1.4828 2.4224 2.4418 2.7057 2.8976 3.0540 3.1178 3.1883 3.2637 3.4631 3.6192 4.5972 4.6329 8.2769 8.2807 8.3061 8.3117 11.0919 11.1042 14.0727 14.1261 k = 0.4759-0.1309 0.2940 ( 2075 PWs) bands (ev): -22.5355 -22.5354 -18.0377 -18.0377 -5.7108 -5.7087 -3.9592 -3.9578 -3.6122 -3.6122 -3.3375 -3.3345 1.3342 1.3662 1.4756 1.4838 2.4237 2.4417 2.7155 2.8967 3.0521 3.1095 3.1941 3.2598 3.4819 3.6350 4.6010 4.6375 8.2760 8.2788 8.2928 8.2973 11.0697 11.0810 14.1900 14.2451 k = 0.4781-0.1184 0.2890 ( 2077 PWs) bands (ev): -22.5359 -22.5359 -18.0367 -18.0367 -5.7077 -5.7058 -3.9734 -3.9721 -3.6109 -3.6109 -3.3309 -3.3281 1.3206 1.3508 1.4777 1.4850 2.4249 2.4414 2.7251 2.8940 3.0502 3.1011 3.1985 3.2557 3.5035 3.6508 4.6035 4.6402 8.2645 8.2652 8.2936 8.2944 11.0493 11.0596 14.3064 14.3630 k = 0.4803-0.1058 0.2841 ( 2077 PWs) bands (ev): -22.5364 -22.5363 -18.0357 -18.0357 -5.7048 -5.7030 -3.9866 -3.9854 -3.6097 -3.6097 -3.3249 -3.3222 1.3083 1.3362 1.4798 1.4863 2.4259 2.4408 2.7347 2.8899 3.0485 3.0932 3.2018 3.2515 3.5271 3.6661 4.6050 4.6413 8.2491 8.2508 8.2967 8.2970 11.0307 11.0401 14.4212 14.4788 k = 0.4825-0.0933 0.2791 ( 2075 PWs) bands (ev): -22.5368 -22.5368 -18.0349 -18.0348 -5.7020 -5.7003 -3.9987 -3.9976 -3.6086 -3.6086 -3.3193 -3.3169 1.2972 1.3225 1.4819 1.4876 2.4267 2.4400 2.7442 2.8846 3.0469 3.0858 3.2042 3.2473 3.5519 3.6804 4.6057 4.6410 8.2352 8.2370 8.2999 8.3006 11.0141 11.0224 14.5332 14.5912 k = 0.4847-0.0807 0.2742 ( 2074 PWs) bands (ev): -22.5372 -22.5371 -18.0341 -18.0340 -5.6993 -5.6979 -4.0096 -4.0086 -3.6077 -3.6077 -3.3142 -3.3121 1.2874 1.3101 1.4838 1.4888 2.4275 2.4392 2.7537 2.8783 3.0456 3.0789 3.2061 3.2431 3.5769 3.6932 4.6059 4.6393 8.2229 8.2247 8.3032 8.3039 10.9993 11.0066 14.6411 14.6987 k = 0.4868-0.0682 0.2692 ( 2069 PWs) bands (ev): -22.5375 -22.5375 -18.0334 -18.0334 -5.6969 -5.6957 -4.0193 -4.0184 -3.6068 -3.6068 -3.3097 -3.3079 1.2791 1.2988 1.4857 1.4900 2.4282 2.4382 2.7632 2.8713 3.0447 3.0727 3.2077 3.2391 3.6015 3.7041 4.6059 4.6366 8.2125 8.2141 8.3062 8.3069 10.9865 10.9928 14.7434 14.7992 k = 0.4890-0.0556 0.2643 ( 2073 PWs) bands (ev): -22.5378 -22.5378 -18.0328 -18.0328 -5.6948 -5.6937 -4.0276 -4.0268 -3.6061 -3.6061 -3.3059 -3.3043 1.2723 1.2888 1.4874 1.4910 2.4288 2.4371 2.7726 2.8635 3.0441 3.0670 3.2092 3.2352 3.6250 3.7125 4.6059 4.6330 8.2037 8.2051 8.3088 8.3095 10.9757 10.9809 14.8380 14.8903 k = 0.4912-0.0431 0.2594 ( 2075 PWs) bands (ev): -22.5380 -22.5380 -18.0323 -18.0323 -5.6930 -5.6921 -4.0344 -4.0338 -3.6055 -3.6055 -3.3027 -3.3014 1.2669 1.2803 1.4889 1.4918 2.4295 2.4361 2.7820 2.8553 3.0439 3.0620 3.2108 3.2315 3.6468 3.7182 4.6061 4.6290 8.1966 8.1977 8.3110 8.3116 10.9668 10.9711 14.9226 14.9692 k = 0.4934-0.0306 0.2544 ( 2077 PWs) bands (ev): -22.5382 -22.5382 -18.0319 -18.0319 -5.6915 -5.6908 -4.0398 -4.0393 -3.6050 -3.6050 -3.3001 -3.2991 1.2631 1.2732 1.4902 1.4924 2.4301 2.4351 2.7914 2.8466 3.0442 3.0576 3.2125 3.2279 3.6664 3.7209 4.6068 4.6247 8.1912 8.1920 8.3128 8.3132 10.9601 10.9633 14.9946 15.0329 k = 0.4956-0.0180 0.2495 ( 2079 PWs) bands (ev): -22.5383 -22.5383 -18.0316 -18.0316 -5.6904 -5.6899 -4.0437 -4.0433 -3.6046 -3.6046 -3.2982 -3.2975 1.2608 1.2676 1.4912 1.4927 2.4308 2.4341 2.8007 2.8377 3.0449 3.0538 3.2144 3.2247 3.6835 3.7202 4.6082 4.6204 8.1874 8.1879 8.3141 8.3144 10.9554 10.9575 15.0512 15.0786 k = 0.4978-0.0055 0.2445 ( 2072 PWs) bands (ev): -22.5384 -22.5384 -18.0315 -18.0315 -5.6896 -5.6894 -4.0460 -4.0458 -3.6044 -3.6044 -3.2970 -3.2966 1.2601 1.2635 1.4920 1.4927 2.4316 2.4332 2.8101 2.8287 3.0463 3.0507 3.2166 3.2218 3.6977 3.7162 4.6103 4.6165 8.1851 8.1854 8.3150 8.3151 10.9528 10.9539 15.0896 15.1039 k = 0.5000 0.0071 0.2396 ( 2072 PWs) bands (ev): -22.5384 -22.5384 -18.0314 -18.0314 -5.6893 -5.6893 -4.0467 -4.0467 -3.6044 -3.6044 -3.2965 -3.2965 1.2610 1.2610 1.4925 1.4925 2.4324 2.4324 2.8194 2.8194 3.0483 3.0483 3.2191 3.2191 3.7086 3.7086 4.6130 4.6130 8.1845 8.1845 8.3153 8.3153 10.9523 10.9523 15.1075 15.1075 k = 0.5000 0.0071 0.2396 ( 2072 PWs) bands (ev): -22.5384 -22.5384 -18.0314 -18.0314 -5.6893 -5.6893 -4.0467 -4.0467 -3.6044 -3.6044 -3.2965 -3.2965 1.2610 1.2610 1.4925 1.4925 2.4324 2.4324 2.8194 2.8194 3.0483 3.0483 3.2191 3.2191 3.7086 3.7086 4.6130 4.6130 8.1845 8.1845 8.3153 8.3153 10.9523 10.9523 15.1075 15.1075 k = 0.4944 0.0126 0.2510 ( 2068 PWs) bands (ev): -22.5384 -22.5384 -18.0314 -18.0314 -5.6892 -5.6892 -4.0466 -4.0464 -3.6051 -3.6048 -3.2966 -3.2964 1.2605 1.2618 1.4906 1.4929 2.4317 2.4343 2.8175 2.8215 3.0464 3.0505 3.2155 3.2227 3.7076 3.7095 4.6131 4.6138 8.1810 8.1858 8.3144 8.3183 10.9539 10.9546 15.1034 15.1127 k = 0.4889 0.0180 0.2624 ( 2068 PWs) bands (ev): -22.5383 -22.5383 -18.0313 -18.0313 -5.6890 -5.6889 -4.0461 -4.0458 -3.6071 -3.6065 -3.2968 -3.2965 1.2602 1.2628 1.4870 1.4917 2.4324 2.4376 2.8156 2.8236 3.0449 3.0530 3.2118 3.2262 3.7065 3.7102 4.6139 4.6154 8.1754 8.1846 8.3159 8.3232 10.9595 10.9609 15.1000 15.1190 k = 0.4833 0.0235 0.2739 ( 2072 PWs) bands (ev): -22.5381 -22.5381 -18.0311 -18.0311 -5.6886 -5.6885 -4.0453 -4.0449 -3.6104 -3.6094 -3.2971 -3.2967 1.2600 1.2639 1.4821 1.4889 2.4343 2.4420 2.8137 2.8256 3.0437 3.0559 3.2081 3.2296 3.7053 3.7107 4.6155 4.6178 8.1679 8.1809 8.3196 8.3299 10.9691 10.9711 15.0971 15.1264 k = 0.4778 0.0290 0.2853 ( 2072 PWs) bands (ev): -22.5378 -22.5378 -18.0309 -18.0309 -5.6880 -5.6879 -4.0442 -4.0436 -3.6147 -3.6135 -3.2976 -3.2970 1.2599 1.2651 1.4758 1.4848 2.4375 2.4477 2.8118 2.8279 3.0429 3.0591 3.2044 3.2329 3.7039 3.7111 4.6179 4.6209 8.1587 8.1749 8.3256 8.3382 10.9826 10.9852 15.0944 15.1348 k = 0.4722 0.0345 0.2967 ( 2070 PWs) bands (ev): -22.5375 -22.5375 -18.0306 -18.0306 -5.6872 -5.6871 -4.0427 -4.0420 -3.6203 -3.6188 -3.2981 -3.2974 1.2597 1.2661 1.4686 1.4795 2.4418 2.4545 2.8099 2.8301 3.0425 3.0626 3.2008 3.2363 3.7025 3.7113 4.6211 4.6248 8.1479 8.1667 8.3338 8.3481 10.9999 11.0032 15.0913 15.1441 k = 0.4667 0.0399 0.3082 ( 2068 PWs) bands (ev): -22.5371 -22.5371 -18.0303 -18.0303 -5.6863 -5.6861 -4.0410 -4.0400 -3.6269 -3.6251 -3.2988 -3.2979 1.2592 1.2666 1.4606 1.4733 2.4472 2.4623 2.8080 2.8325 3.0425 3.0665 3.1972 3.2395 3.7009 3.7114 4.6250 4.6295 8.1357 8.1564 8.3440 8.3595 11.0211 11.0250 15.0869 15.1539 k = 0.4611 0.0454 0.3196 ( 2066 PWs) bands (ev): -22.5366 -22.5366 -18.0299 -18.0299 -5.6852 -5.6850 -4.0389 -4.0378 -3.6346 -3.6324 -3.2995 -3.2985 1.2582 1.2665 1.4524 1.4665 2.4535 2.4710 2.8060 2.8349 3.0429 3.0707 3.1937 3.2428 3.6993 3.7113 4.6297 4.6348 8.1221 8.1444 8.3561 8.3724 11.0460 11.0505 15.0801 15.1637 k = 0.4556 0.0509 0.3310 ( 2070 PWs) bands (ev): -22.5361 -22.5361 -18.0295 -18.0295 -5.6840 -5.6837 -4.0366 -4.0353 -3.6433 -3.6408 -3.3004 -3.2993 1.2564 1.2652 1.4443 1.4595 2.4607 2.4806 2.8039 2.8372 3.0438 3.0752 3.1903 3.2459 3.6976 3.7109 4.6350 4.6408 8.1071 8.1307 8.3700 8.3868 11.0746 11.0797 15.0693 15.1727 k = 0.4500 0.0564 0.3425 ( 2070 PWs) bands (ev): -22.5355 -22.5355 -18.0290 -18.0290 -5.6826 -5.6823 -4.0341 -4.0326 -3.6528 -3.6500 -3.3015 -3.3002 1.2534 1.2624 1.4371 1.4528 2.4687 2.4909 2.8018 2.8396 3.0453 3.0801 3.1871 3.2491 3.6958 3.7103 4.6410 4.6474 8.0908 8.1155 8.3856 8.4028 11.1067 11.1124 15.0523 15.1793 k = 0.4444 0.0619 0.3539 ( 2066 PWs) bands (ev): -22.5349 -22.5349 -18.0285 -18.0284 -5.6811 -5.6807 -4.0314 -4.0296 -3.6632 -3.6600 -3.3026 -3.3012 1.2489 1.2574 1.4313 1.4470 2.4773 2.5018 2.7995 2.8419 3.0473 3.0855 3.1842 3.2523 3.6938 3.7095 4.6476 4.6546 8.0734 8.0989 8.4030 8.4204 11.1424 11.1487 15.0262 15.1807 k = 0.4389 0.0673 0.3653 ( 2068 PWs) bands (ev): -22.5342 -22.5342 -18.0279 -18.0278 -5.6794 -5.6791 -4.0286 -4.0265 -3.6743 -3.6708 -3.3039 -3.3024 1.2424 1.2500 1.4273 1.4423 2.4865 2.5131 2.7972 2.8442 3.0499 3.0911 3.1814 3.2555 3.6918 3.7085 4.6548 4.6623 8.0548 8.0810 8.4221 8.4397 11.1815 11.1883 14.9874 15.1717 k = 0.4333 0.0728 0.3768 ( 2066 PWs) bands (ev): -22.5334 -22.5334 -18.0272 -18.0272 -5.6776 -5.6772 -4.0256 -4.0234 -3.6859 -3.6821 -3.3053 -3.3037 1.2337 1.2399 1.4255 1.4392 2.4961 2.5249 2.7947 2.8464 3.0532 3.0972 3.1790 3.2587 3.6897 3.7074 4.6625 4.6705 8.0351 8.0620 8.4429 8.4607 11.2238 11.2312 14.9323 15.1433 k = 0.4278 0.0783 0.3882 ( 2070 PWs) bands (ev): -22.5326 -22.5326 -18.0266 -18.0265 -5.6757 -5.6753 -4.0227 -4.0201 -3.6980 -3.6938 -3.3069 -3.3052 1.2227 1.2272 1.4258 1.4379 2.5058 2.5369 2.7921 2.8485 3.0572 3.1036 3.1768 3.2619 3.6875 3.7059 4.6706 4.6791 8.0145 8.0420 8.4654 8.4834 11.2693 11.2773 14.8583 15.0837 k = 0.4222 0.0838 0.3996 ( 2068 PWs) bands (ev): -22.5317 -22.5317 -18.0259 -18.0258 -5.6737 -5.6733 -4.0198 -4.0169 -3.7104 -3.7058 -3.3086 -3.3068 1.2094 1.2121 1.4282 1.4385 2.5158 2.5490 2.7895 2.8504 3.0619 3.1104 3.1750 3.2652 3.6852 3.7043 4.6792 4.6882 7.9929 8.0210 8.4898 8.5078 11.3178 11.3263 14.7650 14.9873 k = 0.4167 0.0892 0.4111 ( 2064 PWs) bands (ev): -22.5308 -22.5308 -18.0251 -18.0250 -5.6716 -5.6711 -4.0171 -4.0139 -3.7230 -3.7180 -3.3105 -3.3086 1.1937 1.1954 1.4323 1.4408 2.5259 2.5611 2.7869 2.8523 3.0675 3.1176 3.1737 3.2685 3.6828 3.7025 4.6882 4.6976 7.9707 7.9992 8.5159 8.5341 11.3691 11.3783 14.6544 14.8617 k = 0.4111 0.0947 0.4225 ( 2064 PWs) bands (ev): -22.5299 -22.5299 -18.0243 -18.0243 -5.6694 -5.6689 -4.0147 -4.0111 -3.7355 -3.7301 -3.3125 -3.3105 1.1754 1.1778 1.4378 1.4448 2.5358 2.5731 2.7843 2.8541 3.0738 3.1251 3.1727 3.2719 3.6803 3.7004 4.6974 4.7072 7.9477 7.9766 8.5438 8.5622 11.4231 11.4329 14.5297 14.7182 k = 0.4056 0.1002 0.4339 ( 2064 PWs) bands (ev): -22.5289 -22.5289 -18.0235 -18.0234 -5.6672 -5.6666 -4.0128 -4.0087 -3.7478 -3.7419 -3.3147 -3.3126 1.1553 1.1592 1.4444 1.4503 2.5455 2.5848 2.7817 2.8557 3.0810 3.1330 3.1723 3.2753 3.6778 3.6982 4.7070 4.7171 7.9242 7.9535 8.5737 8.5921 11.4796 11.4902 14.3944 14.5650 k = 0.4000 0.1057 0.4454 ( 2062 PWs) bands (ev): -22.5279 -22.5279 -18.0227 -18.0226 -5.6648 -5.6643 -4.0114 -4.0069 -3.7596 -3.7533 -3.3170 -3.3148 1.1341 1.1395 1.4517 1.4570 2.5549 2.5960 2.7793 2.8573 3.0890 3.1410 3.1726 3.2788 3.6752 3.6958 4.7167 4.7272 7.9002 7.9298 8.6054 8.6240 11.5385 11.5499 14.2518 14.4065 k = 0.3944 0.1112 0.4568 ( 2064 PWs) bands (ev): -22.5269 -22.5269 -18.0218 -18.0218 -5.6624 -5.6619 -4.0107 -4.0059 -3.7707 -3.7639 -3.3195 -3.3172 1.1122 1.1188 1.4595 1.4649 2.5638 2.6067 2.7770 2.8588 3.0978 3.1489 3.1738 3.2822 3.6725 3.6933 4.7266 4.7375 7.8759 7.9058 8.6390 8.6579 11.5995 11.6118 14.1041 14.2452 k = 0.3889 0.1166 0.4682 ( 2068 PWs) bands (ev): -22.5259 -22.5258 -18.0210 -18.0209 -5.6600 -5.6594 -4.0110 -4.0058 -3.7808 -3.7736 -3.3222 -3.3197 1.0898 1.0975 1.4677 1.4735 2.5722 2.6167 2.7751 2.8603 3.1073 3.1563 3.1764 3.2857 3.6697 3.6905 4.7367 4.7478 7.8513 7.8816 8.6746 8.6937 11.6623 11.6757 13.9533 14.0826 k = 0.3833 0.1221 0.4797 ( 2064 PWs) bands (ev): -22.5248 -22.5248 -18.0201 -18.0200 -5.6576 -5.6570 -4.0124 -4.0069 -3.7896 -3.7821 -3.3249 -3.3224 1.0671 1.0757 1.4763 1.4828 2.5799 2.6259 2.7736 2.8619 3.1174 3.1626 3.1811 3.2892 3.6670 3.6877 4.7468 4.7581 7.8267 7.8572 8.7122 8.7316 11.7268 11.7415 13.8006 13.9198 k = 0.3778 0.1276 0.4911 ( 2068 PWs) bands (ev): -22.5237 -22.5237 -18.0192 -18.0191 -5.6551 -5.6545 -4.0151 -4.0093 -3.7970 -3.7892 -3.3279 -3.3252 1.0443 1.0537 1.4851 1.4925 2.5870 2.6341 2.7725 2.8635 3.1280 3.1675 3.1882 3.2928 3.6641 3.6847 4.7568 4.7685 7.8020 7.8328 8.7519 8.7716 11.7925 11.8089 13.6472 13.7574 k = 0.3722 0.1331 0.5025 ( 2068 PWs) bands (ev): -22.5227 -22.5227 -18.0183 -18.0182 -5.6526 -5.6520 -4.0191 -4.0132 -3.8026 -3.7947 -3.3309 -3.3282 1.0215 1.0317 1.4942 1.5023 2.5932 2.6412 2.7721 2.8652 3.1387 3.1719 3.1969 3.2964 3.6613 3.6816 4.7669 4.7788 7.7775 7.8084 8.7937 8.8137 11.8591 11.8778 13.4940 13.5958 k = 0.3667 0.1385 0.5140 ( 2070 PWs) bands (ev): -22.5216 -22.5216 -18.0175 -18.0174 -5.6501 -5.6495 -4.0245 -4.0186 -3.8066 -3.7986 -3.3342 -3.3313 0.9989 1.0097 1.5034 1.5123 2.5986 2.6472 2.7725 2.8671 3.1489 3.1769 3.2066 3.3000 3.6585 3.6784 4.7768 4.7889 7.7532 7.7843 8.8377 8.8580 11.9260 11.9477 13.3418 13.4358 k = 0.3611 0.1440 0.5254 ( 2076 PWs) bands (ev): -22.5206 -22.5206 -18.0166 -18.0165 -5.6477 -5.6470 -4.0312 -4.0253 -3.8088 -3.8010 -3.3375 -3.3345 0.9765 0.9879 1.5126 1.5223 2.6032 2.6520 2.7736 2.8691 3.1579 3.1837 3.2167 3.3036 3.6557 3.6751 4.7866 4.7990 7.7291 7.7604 8.8838 8.9045 11.9925 12.0184 13.1915 13.2776 k = 0.3556 0.1495 0.5368 ( 2074 PWs) bands (ev): -22.5195 -22.5195 -18.0157 -18.0156 -5.6452 -5.6446 -4.0390 -4.0334 -3.8094 -3.8018 -3.3409 -3.3378 0.9547 0.9664 1.5218 1.5322 2.6069 2.6557 2.7756 2.8712 3.1649 3.1929 3.2271 3.3075 3.6530 3.6718 4.7963 4.8088 7.7056 7.7369 8.9322 8.9533 12.0572 12.0893 13.0442 13.1222 k = 0.3500 0.1550 0.5483 ( 2076 PWs) bands (ev): -22.5185 -22.5185 -18.0149 -18.0148 -5.6429 -5.6422 -4.0478 -4.0424 -3.8085 -3.8013 -3.3445 -3.3412 0.9333 0.9454 1.5309 1.5420 2.6097 2.6582 2.7783 2.8734 3.1704 3.2040 3.2375 3.3115 3.6503 3.6685 4.8057 4.8184 7.6825 7.7140 8.9830 9.0043 12.1178 12.1599 12.9017 12.9707 k = 0.3444 0.1605 0.5597 ( 2074 PWs) bands (ev): -22.5175 -22.5175 -18.0140 -18.0139 -5.6405 -5.6399 -4.0573 -4.0522 -3.8065 -3.7996 -3.3481 -3.3447 0.9125 0.9250 1.5399 1.5516 2.6117 2.6599 2.7817 2.8756 3.1749 3.2163 3.2478 3.3158 3.6477 3.6652 4.8149 4.8277 7.6601 7.6917 9.0360 9.0578 12.1696 12.2285 12.7666 12.8268 k = 0.3389 0.1659 0.5711 ( 2070 PWs) bands (ev): -22.5165 -22.5165 -18.0132 -18.0131 -5.6383 -5.6376 -4.0673 -4.0626 -3.8034 -3.7969 -3.3518 -3.3482 0.8925 0.9053 1.5486 1.5609 2.6130 2.6606 2.7857 2.8778 3.1791 3.2289 3.2579 3.3206 3.6453 3.6620 4.8237 4.8368 7.6385 7.6701 9.0915 9.1136 12.2019 12.2912 12.6420 12.7019 k = 0.3333 0.1714 0.5826 ( 2074 PWs) bands (ev): -22.5156 -22.5156 -18.0125 -18.0123 -5.6361 -5.6354 -4.0777 -4.0732 -3.7996 -3.7935 -3.3555 -3.3518 0.8733 0.8862 1.5570 1.5698 2.6136 2.6607 2.7902 2.8798 3.1831 3.2411 3.2676 3.3257 3.6430 3.6587 4.8322 4.8454 7.6176 7.6492 9.1494 9.1718 12.1945 12.3296 12.5390 12.6232 k = 0.3278 0.1769 0.5940 ( 2068 PWs) bands (ev): -22.5147 -22.5147 -18.0117 -18.0116 -5.6340 -5.6333 -4.0880 -4.0840 -3.7952 -3.7896 -3.3593 -3.3554 0.8549 0.8681 1.5651 1.5784 2.6137 2.6602 2.7951 2.8818 3.1872 3.2524 3.2774 3.3315 3.6409 3.6556 4.8404 4.8537 7.5976 7.6293 9.2097 9.2325 12.1330 12.2828 12.5162 12.6070 k = 0.3222 0.1824 0.6054 ( 2068 PWs) bands (ev): -22.5138 -22.5138 -18.0110 -18.0109 -5.6320 -5.6313 -4.0983 -4.0946 -3.7904 -3.7852 -3.3630 -3.3591 0.8375 0.8509 1.5728 1.5866 2.6133 2.6593 2.8002 2.8835 3.1913 3.2619 3.2876 3.3379 3.6390 3.6525 4.8481 4.8616 7.5786 7.6103 9.2725 9.2956 12.0327 12.1662 12.5618 12.6341 k = 0.3167 0.1878 0.6169 ( 2068 PWs) bands (ev): -22.5130 -22.5130 -18.0103 -18.0102 -5.6301 -5.6294 -4.1084 -4.1049 -3.7853 -3.7805 -3.3667 -3.3626 0.8211 0.8346 1.5802 1.5943 2.6126 2.6581 2.8055 2.8850 3.1954 3.2692 3.2984 3.3447 3.6372 3.6496 4.8554 4.8691 7.5607 7.5924 9.3377 9.3610 11.9147 12.0343 12.6229 12.6812 k = 0.3111 0.1933 0.6283 ( 2068 PWs) bands (ev): -22.5122 -22.5122 -18.0097 -18.0095 -5.6283 -5.6276 -4.1180 -4.1148 -3.7801 -3.7757 -3.3704 -3.3661 0.8058 0.8194 1.5870 1.6015 2.6115 2.6568 2.8108 2.8862 3.1995 3.2745 3.3097 3.3518 3.6357 3.6468 4.8622 4.8760 7.5440 7.5757 9.4053 9.4288 11.7902 11.9004 12.6866 12.7364 k = 0.3056 0.1988 0.6397 ( 2064 PWs) bands (ev): -22.5115 -22.5115 -18.0091 -18.0089 -5.6266 -5.6260 -4.1272 -4.1242 -3.7749 -3.7709 -3.3739 -3.3695 0.7917 0.8054 1.5934 1.6082 2.6103 2.6553 2.8161 2.8872 3.2036 3.2780 3.3210 3.3590 3.6344 3.6442 4.8685 4.8825 7.5284 7.5601 9.4753 9.4988 11.6641 11.7679 12.7496 12.7940 k = 0.3000 0.2043 0.6512 ( 2066 PWs) bands (ev): -22.5108 -22.5108 -18.0085 -18.0084 -5.6251 -5.6244 -4.1357 -4.1330 -3.7698 -3.7662 -3.3773 -3.3728 0.7787 0.7925 1.5993 1.6143 2.6090 2.6538 2.8214 2.8877 3.2077 3.2803 3.3321 3.3659 3.6333 3.6418 4.8743 4.8884 7.5141 7.5458 9.5474 9.5709 11.5388 11.6380 12.8103 12.8514 k = 0.2944 0.2097 0.6626 ( 2062 PWs) bands (ev): -22.5102 -22.5102 -18.0080 -18.0079 -5.6237 -5.6231 -4.1436 -4.1411 -3.7649 -3.7618 -3.3805 -3.3758 0.7669 0.7808 1.6046 1.6199 2.6077 2.6523 2.8265 2.8880 3.2117 3.2816 3.3427 3.3725 3.6324 3.6396 4.8796 4.8937 7.5012 7.5328 9.6216 9.6447 11.4158 11.5117 12.8678 12.9068 k = 0.2889 0.2152 0.6740 ( 2068 PWs) bands (ev): -22.5097 -22.5097 -18.0076 -18.0074 -5.6225 -5.6218 -4.1507 -4.1483 -3.7604 -3.7576 -3.3834 -3.3787 0.7564 0.7704 1.6093 1.6248 2.6063 2.6508 2.8314 2.8879 3.2156 3.2821 3.3524 3.3783 3.6316 3.6376 4.8843 4.8985 7.4896 7.5212 9.6974 9.7198 11.2958 11.3897 12.9212 12.9589 k = 0.2833 0.2207 0.6854 ( 2070 PWs) bands (ev): -22.5092 -22.5092 -18.0072 -18.0071 -5.6214 -5.6207 -4.1569 -4.1548 -3.7562 -3.7538 -3.3861 -3.3812 0.7473 0.7613 1.6135 1.6292 2.6050 2.6495 2.8359 2.8876 3.2193 3.2821 3.3613 3.3834 3.6309 3.6360 4.8884 4.9027 7.4795 7.5111 9.7743 9.7956 11.1801 11.2729 12.9697 13.0066 k = 0.2778 0.2262 0.6969 ( 2070 PWs) bands (ev): -22.5088 -22.5088 -18.0068 -18.0067 -5.6205 -5.6198 -4.1623 -4.1603 -3.7525 -3.7505 -3.3885 -3.3835 0.7395 0.7535 1.6170 1.6329 2.6039 2.6483 2.8402 2.8870 3.2227 3.2818 3.3693 3.3877 3.6304 3.6347 4.8919 4.9063 7.4709 7.5024 9.8513 9.8709 11.0699 11.1627 13.0125 13.0490 k = 0.2722 0.2317 0.7083 ( 2070 PWs) bands (ev): -22.5085 -22.5085 -18.0066 -18.0064 -5.6197 -5.6191 -4.1667 -4.1648 -3.7494 -3.7478 -3.3905 -3.3854 0.7331 0.7471 1.6199 1.6359 2.6029 2.6473 2.8440 2.8862 3.2257 3.2812 3.3763 3.3909 3.6298 3.6338 4.8948 4.9092 7.4638 7.4953 9.9270 9.9439 10.9668 11.0610 13.0489 13.0852 k = 0.2667 0.2371 0.7197 ( 2070 PWs) bands (ev): -22.5082 -22.5082 -18.0064 -18.0062 -5.6191 -5.6185 -4.1702 -4.1684 -3.7468 -3.7456 -3.3920 -3.3869 0.7281 0.7421 1.6222 1.6383 2.6021 2.6465 2.8472 2.8854 3.2283 3.2805 3.3821 3.3931 3.6293 3.6331 4.8970 4.9115 7.4582 7.4897 9.9983 10.0117 10.8740 10.9708 13.0780 13.1143 k = 0.2611 0.2426 0.7312 ( 2072 PWs) bands (ev): -22.5081 -22.5081 -18.0062 -18.0061 -5.6187 -5.6180 -4.1727 -4.1710 -3.7449 -3.7441 -3.3932 -3.3880 0.7245 0.7385 1.6238 1.6400 2.6015 2.6459 2.8496 2.8846 3.2303 3.2798 3.3867 3.3943 3.6289 3.6327 4.8986 4.9132 7.4542 7.4857 10.0604 10.0692 10.7965 10.8972 13.0993 13.1356 k = 0.2556 0.2481 0.7426 ( 2072 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6184 -5.6178 -4.1743 -4.1726 -3.7437 -3.7432 -3.3939 -3.3887 0.7223 0.7364 1.6248 1.6410 2.6012 2.6455 2.8512 2.8840 3.2315 3.2793 3.3901 3.3944 3.6287 3.6326 4.8996 4.9141 7.4518 7.4833 10.1051 10.1091 10.7427 10.8474 13.1123 13.1487 k = 0.2500 0.2536 0.7540 ( 2072 PWs) bands (ev): -22.5079 -22.5079 -18.0061 -18.0060 -5.6183 -5.6177 -4.1748 -4.1731 -3.7432 -3.7429 -3.3942 -3.3889 0.7216 0.7357 1.6251 1.6414 2.6011 2.6454 2.8518 2.8838 3.2319 3.2792 3.3916 3.3941 3.6286 3.6325 4.8999 4.9145 7.4510 7.4825 10.1220 10.1235 10.7230 10.8295 13.1167 13.1530 k = 0.2572-0.2536 0.7540 ( 2080 PWs) bands (ev): -22.5101 -22.5100 -18.0292 -18.0292 -5.6134 -5.6087 -4.0427 -4.0405 -3.5353 -3.5257 -3.4682 -3.4667 1.0438 1.0488 1.4279 1.4834 2.3047 2.3885 2.6285 2.7597 2.8666 2.9633 3.2814 3.3442 3.8411 3.9645 4.6665 4.6944 7.6378 7.6462 10.0109 10.0175 11.7012 11.7340 12.9264 12.9304 k = 0.2628-0.2591 0.7425 ( 2076 PWs) bands (ev): -22.5105 -22.5104 -18.0310 -18.0310 -5.6179 -5.6132 -4.0280 -4.0259 -3.5385 -3.5291 -3.4694 -3.4679 1.0665 1.0705 1.4348 1.4907 2.3089 2.3894 2.6297 2.7594 2.8668 2.9553 3.2756 3.3446 3.8315 3.9559 4.6393 4.6669 7.6538 7.6620 9.9690 9.9756 11.8022 11.8378 12.8618 12.8665 k = 0.2684-0.2646 0.7310 ( 2078 PWs) bands (ev): -22.5109 -22.5108 -18.0329 -18.0329 -5.6225 -5.6179 -4.0127 -4.0106 -3.5418 -3.5326 -3.4706 -3.4692 1.0895 1.0923 1.4421 1.4981 2.3129 2.3901 2.6297 2.7578 2.8676 2.9477 3.2698 3.3450 3.8214 3.9468 4.6128 4.6399 7.6707 7.6787 9.9271 9.9337 11.9011 11.9401 12.7979 12.8036 k = 0.2740-0.2702 0.7194 ( 2075 PWs) bands (ev): -22.5113 -22.5112 -18.0347 -18.0347 -5.6272 -5.6227 -3.9967 -3.9947 -3.5452 -3.5362 -3.4719 -3.4705 1.1125 1.1143 1.4495 1.5058 2.3169 2.3908 2.6286 2.7549 2.8690 2.9410 3.2641 3.3456 3.8109 3.9375 4.5871 4.6137 7.6886 7.6963 9.8854 9.8919 11.9964 12.0390 12.7351 12.7420 k = 0.2796-0.2757 0.7079 ( 2078 PWs) bands (ev): -22.5118 -22.5117 -18.0366 -18.0365 -5.6321 -5.6277 -3.9802 -3.9783 -3.5486 -3.5399 -3.4731 -3.4718 1.1355 1.1362 1.4573 1.5136 2.3205 2.3913 2.6262 2.7502 2.8712 2.9352 3.2585 3.3464 3.8002 3.9278 4.5625 4.5883 7.7073 7.7148 9.8439 9.8505 12.0860 12.1330 12.6734 12.6820 k = 0.2852-0.2812 0.6963 ( 2078 PWs) bands (ev): -22.5123 -22.5122 -18.0384 -18.0383 -5.6370 -5.6327 -3.9633 -3.9615 -3.5521 -3.5436 -3.4743 -3.4731 1.1581 1.1584 1.4652 1.5216 2.3240 2.3916 2.6225 2.7436 2.8741 2.9308 3.2531 3.3473 3.7891 3.9178 4.5389 4.5640 7.7268 7.7342 9.8029 9.8095 12.1677 12.2198 12.6133 12.6242 k = 0.2908-0.2868 0.6848 ( 2079 PWs) bands (ev): -22.5128 -22.5127 -18.0402 -18.0401 -5.6420 -5.6378 -3.9460 -3.9442 -3.5557 -3.5474 -3.4755 -3.4743 1.1798 1.1812 1.4733 1.5297 2.3273 2.3918 2.6175 2.7351 2.8778 2.9278 3.2480 3.3483 3.7779 3.9076 4.5165 4.5407 7.7472 7.7543 9.7623 9.7689 12.2387 12.2969 12.5554 12.5700 k = 0.2965-0.2923 0.6732 ( 2078 PWs) bands (ev): -22.5134 -22.5133 -18.0419 -18.0419 -5.6471 -5.6430 -3.9285 -3.9267 -3.5592 -3.5512 -3.4766 -3.4756 1.2013 1.2038 1.4816 1.5379 2.3304 2.3918 2.6111 2.7245 2.8822 2.9264 3.2432 3.3495 3.7665 3.8971 4.4953 4.5186 7.7683 7.7753 9.7221 9.7288 12.2944 12.3601 12.5022 12.5224 k = 0.3021-0.2978 0.6617 ( 2076 PWs) bands (ev): -22.5140 -22.5139 -18.0437 -18.0436 -5.6521 -5.6481 -3.9107 -3.9090 -3.5628 -3.5551 -3.4778 -3.4768 1.2225 1.2260 1.4901 1.5461 2.3332 2.3916 2.6036 2.7122 2.8874 2.9263 3.2389 3.3507 3.7550 3.8864 4.4753 4.4977 7.7902 7.7970 9.6824 9.6891 12.3259 12.3922 12.4692 12.4888 k = 0.3077-0.3033 0.6502 ( 2074 PWs) bands (ev): -22.5146 -22.5145 -18.0454 -18.0453 -5.6572 -5.6533 -3.8929 -3.8912 -3.5664 -3.5589 -3.4789 -3.4780 1.2433 1.2478 1.4987 1.5543 2.3358 2.3913 2.5949 2.6984 2.8932 2.9275 3.2352 3.3520 3.7436 3.8755 4.4567 4.4780 7.8127 7.8193 9.6432 9.6499 12.3222 12.3643 12.4795 12.4844 k = 0.3133-0.3089 0.6386 ( 2076 PWs) bands (ev): -22.5152 -22.5151 -18.0470 -18.0470 -5.6622 -5.6584 -3.8750 -3.8734 -3.5699 -3.5627 -3.4800 -3.4791 1.2637 1.2691 1.5074 1.5625 2.3382 2.3907 2.5853 2.6833 2.8995 2.9297 3.2319 3.3533 3.7321 3.8644 4.4393 4.4596 7.8358 7.8422 9.6045 9.6111 12.2911 12.3163 12.4867 12.5078 k = 0.3189-0.3144 0.6271 ( 2070 PWs) bands (ev): -22.5158 -22.5157 -18.0486 -18.0486 -5.6671 -5.6635 -3.8572 -3.8557 -3.5734 -3.5664 -3.4811 -3.4803 1.2835 1.2898 1.5162 1.5707 2.3403 2.3900 2.5750 2.6673 2.9063 2.9329 3.2293 3.3547 3.7209 3.8532 4.4231 4.4424 7.8595 7.8657 9.5664 9.5729 12.2493 12.2663 12.4945 12.5218 k = 0.3245-0.3199 0.6155 ( 2068 PWs) bands (ev): -22.5164 -22.5164 -18.0502 -18.0502 -5.6719 -5.6685 -3.8396 -3.8381 -3.5768 -3.5702 -3.4821 -3.4813 1.3027 1.3099 1.5250 1.5787 2.3422 2.3891 2.5640 2.6505 2.9133 2.9367 3.2273 3.3559 3.7099 3.8418 4.4082 4.4264 7.8836 7.8897 9.5287 9.5352 12.2045 12.2171 12.4965 12.5255 k = 0.3301-0.3255 0.6040 ( 2070 PWs) bands (ev): -22.5171 -22.5170 -18.0517 -18.0517 -5.6766 -5.6733 -3.8223 -3.8208 -3.5802 -3.5738 -3.4831 -3.4824 1.3213 1.3291 1.5339 1.5865 2.3438 2.3878 2.5526 2.6334 2.9206 2.9410 3.2260 3.3570 3.6993 3.8304 4.3945 4.4115 7.9081 7.9140 9.4917 9.4980 12.1596 12.1695 12.4916 12.5201 k = 0.3357-0.3310 0.5924 ( 2074 PWs) bands (ev): -22.5177 -22.5176 -18.0531 -18.0531 -5.6812 -5.6781 -3.8053 -3.8038 -3.5835 -3.5774 -3.4840 -3.4834 1.3391 1.3475 1.5428 1.5941 2.3451 2.3863 2.5411 2.6161 2.9280 2.9456 3.2253 3.3579 3.6891 3.8189 4.3819 4.3978 7.9328 7.9385 9.4552 9.4615 12.1157 12.1237 12.4807 12.5076 k = 0.3413-0.3365 0.5809 ( 2074 PWs) bands (ev): -22.5183 -22.5182 -18.0545 -18.0545 -5.6856 -5.6826 -3.7888 -3.7873 -3.5867 -3.5808 -3.4849 -3.4843 1.3561 1.3650 1.5516 1.6015 2.3462 2.3845 2.5296 2.5989 2.9353 2.9505 3.2254 3.3586 3.6795 3.8074 4.3705 4.3853 7.9578 7.9633 9.4195 9.4256 12.0733 12.0801 12.4651 12.4899 k = 0.3469-0.3421 0.5693 ( 2077 PWs) bands (ev): -22.5189 -22.5188 -18.0559 -18.0558 -5.6898 -5.6870 -3.7728 -3.7714 -3.5898 -3.5842 -3.4858 -3.4852 1.3723 1.3815 1.5605 1.6086 2.3470 2.3824 2.5183 2.5821 2.9426 2.9555 3.2262 3.3588 3.6705 3.7959 4.3600 4.3738 7.9828 7.9881 9.3845 9.3905 12.0329 12.0386 12.4461 12.4686 k = 0.3525-0.3476 0.5578 ( 2079 PWs) bands (ev): -22.5194 -22.5194 -18.0571 -18.0571 -5.6938 -5.6912 -3.7574 -3.7560 -3.5927 -3.5874 -3.4866 -3.4861 1.3875 1.3969 1.5692 1.6153 2.3475 2.3800 2.5075 2.5657 2.9498 2.9606 3.2277 3.3587 3.6624 3.7845 4.3506 4.3633 8.0077 8.0129 9.3504 9.3562 11.9946 11.9996 12.4250 12.4452 k = 0.3582-0.3531 0.5463 ( 2079 PWs) bands (ev): -22.5200 -22.5199 -18.0583 -18.0582 -5.6976 -5.6952 -3.7428 -3.7414 -3.5955 -3.5905 -3.4873 -3.4869 1.4018 1.4113 1.5778 1.6216 2.3478 2.3773 2.4973 2.5500 2.9567 2.9656 3.2299 3.3580 3.6552 3.7731 4.3422 4.3537 8.0324 8.0373 9.3174 9.3230 11.9587 11.9629 12.4027 12.4207 k = 0.3638-0.3587 0.5347 ( 2078 PWs) bands (ev): -22.5205 -22.5205 -18.0593 -18.0593 -5.7012 -5.6989 -3.7289 -3.7275 -3.5982 -3.5935 -3.4880 -3.4876 1.4152 1.4245 1.5862 1.6274 2.3478 2.3742 2.4879 2.5351 2.9633 2.9705 3.2328 3.3568 3.6491 3.7619 4.3346 4.3451 8.0567 8.0614 9.2855 9.2909 11.9252 11.9289 12.3801 12.3961 k = 0.3694-0.3642 0.5232 ( 2082 PWs) bands (ev): -22.5210 -22.5209 -18.0604 -18.0603 -5.7045 -5.7024 -3.7159 -3.7145 -3.6008 -3.5963 -3.4886 -3.4882 1.4275 1.4365 1.5943 1.6328 2.3475 2.3708 2.4794 2.5212 2.9695 2.9752 3.2364 3.3548 3.6440 3.7508 4.3279 4.3374 8.0803 8.0848 9.2550 9.2601 11.8942 11.8975 12.3579 12.3719 k = 0.3750-0.3697 0.5116 ( 2078 PWs) bands (ev): -22.5214 -22.5214 -18.0613 -18.0613 -5.7075 -5.7056 -3.7038 -3.7024 -3.6031 -3.5990 -3.4892 -3.4889 1.4388 1.4473 1.6022 1.6376 2.3471 2.3672 2.4719 2.5085 2.9753 2.9797 3.2407 3.3521 3.6401 3.7399 4.3220 4.3305 8.1032 8.1074 9.2261 9.2309 11.8660 11.8688 12.3367 12.3489 k = 0.3806-0.3752 0.5001 ( 2080 PWs) bands (ev): -22.5218 -22.5218 -18.0621 -18.0621 -5.7102 -5.7085 -3.6927 -3.6913 -3.6053 -3.6015 -3.4897 -3.4894 1.4489 1.4569 1.6097 1.6418 2.3464 2.3635 2.4655 2.4969 2.9805 2.9839 3.2455 3.3487 3.6375 3.7293 4.3169 4.3244 8.1250 8.1288 9.1990 9.2034 11.8405 11.8429 12.3168 12.3273 k = 0.3862-0.3808 0.4885 ( 2079 PWs) bands (ev): -22.5222 -22.5222 -18.0628 -18.0628 -5.7126 -5.7112 -3.6827 -3.6813 -3.6074 -3.6039 -3.4902 -3.4899 1.4580 1.4652 1.6168 1.6453 2.3456 2.3597 2.4601 2.4866 2.9853 2.9877 3.2509 3.3444 3.6361 3.7189 4.3125 4.3190 8.1453 8.1489 9.1740 9.1780 11.8178 11.8199 12.2986 12.3076 k = 0.3918-0.3863 0.4770 ( 2081 PWs) bands (ev): -22.5225 -22.5225 -18.0635 -18.0635 -5.7147 -5.7135 -3.6737 -3.6724 -3.6093 -3.6061 -3.4906 -3.4903 1.4660 1.4723 1.6234 1.6482 2.3446 2.3559 2.4558 2.4776 2.9894 2.9911 3.2568 3.3395 3.6360 3.7088 4.3088 4.3144 8.1640 8.1672 9.1514 9.1550 11.7981 11.7998 12.2825 12.2900 k = 0.3974-0.3918 0.4654 ( 2083 PWs) bands (ev): -22.5228 -22.5228 -18.0640 -18.0640 -5.7165 -5.7155 -3.6659 -3.6646 -3.6110 -3.6082 -3.4909 -3.4907 1.4728 1.4783 1.6294 1.6503 2.3435 2.3524 2.4524 2.4699 2.9929 2.9941 3.2632 3.3340 3.6371 3.6991 4.3058 4.3105 8.1807 8.1835 9.1315 9.1346 11.7813 11.7826 12.2685 12.2747 k = 0.4030-0.3974 0.4539 ( 2086 PWs) bands (ev): -22.5230 -22.5230 -18.0645 -18.0645 -5.7180 -5.7171 -3.6592 -3.6580 -3.6126 -3.6101 -3.4912 -3.4910 1.4786 1.4830 1.6348 1.6517 2.3426 2.3492 2.4500 2.4634 2.9958 2.9965 3.2700 3.3279 3.6393 3.6899 4.3035 4.3072 8.1950 8.1973 9.1147 9.1173 11.7675 11.7686 12.2570 12.2619 k = 0.4086-0.4029 0.4424 ( 2086 PWs) bands (ev): -22.5232 -22.5232 -18.0648 -18.0648 -5.7191 -5.7184 -3.6538 -3.6528 -3.6138 -3.6118 -3.4914 -3.4913 1.4832 1.4865 1.6396 1.6524 2.3418 2.3465 2.4485 2.4582 2.9981 2.9985 3.2772 3.3213 3.6426 3.6811 4.3018 4.3046 8.2067 8.2084 9.1013 9.1033 11.7567 11.7575 12.2481 12.2516 k = 0.4143-0.4084 0.4308 ( 2090 PWs) bands (ev): -22.5233 -22.5233 -18.0651 -18.0651 -5.7198 -5.7194 -3.6497 -3.6489 -3.6148 -3.6133 -3.4915 -3.4914 1.4866 1.4889 1.6437 1.6522 2.3413 2.3442 2.4478 2.4541 2.9997 2.9999 3.2845 3.3142 3.6470 3.6729 4.3007 4.3026 8.2153 8.2165 9.0916 9.0929 11.7491 11.7496 12.2418 12.2441 k = 0.4199-0.4140 0.4193 ( 2090 PWs) bands (ev): -22.5234 -22.5234 -18.0652 -18.0652 -5.7203 -5.7201 -3.6471 -3.6466 -3.6152 -3.6145 -3.4916 -3.4916 1.4889 1.4900 1.6470 1.6513 2.3413 2.3427 2.4480 2.4511 3.0007 3.0008 3.2920 3.3069 3.6523 3.6653 4.3003 4.3012 8.2207 8.2213 9.0858 9.0865 11.7445 11.7448 12.2382 12.2394 k = 0.4255-0.4195 0.4077 ( 2096 PWs) bands (ev): -22.5234 -22.5234 -18.0653 -18.0653 -5.7203 -5.7203 -3.6460 -3.6460 -3.6151 -3.6151 -3.4916 -3.4916 1.4900 1.4900 1.6495 1.6495 2.3417 2.3417 2.4491 2.4491 3.0010 3.0010 3.2994 3.2994 3.6584 3.6584 4.3004 4.3004 8.2228 8.2228 9.0841 9.0841 11.7431 11.7431 12.2374 12.2374 k = 0.5745 0.4337 0.0714 ( 2096 PWs) bands (ev): -22.5234 -22.5234 -18.0653 -18.0653 -5.7203 -5.7203 -3.6460 -3.6460 -3.6151 -3.6151 -3.4916 -3.4916 1.4900 1.4900 1.6495 1.6495 2.3417 2.3417 2.4491 2.4491 3.0010 3.0010 3.2994 3.2994 3.6584 3.6584 4.3004 4.3004 8.2228 8.2228 9.0841 9.0841 11.7431 11.7431 12.2374 12.2374 k = 0.5671 0.4410 0.0643 ( 2092 PWs) bands (ev): -22.5232 -22.5232 -18.0661 -18.0661 -5.7160 -5.7160 -3.6468 -3.6468 -3.6084 -3.6084 -3.4922 -3.4922 1.4957 1.4957 1.6433 1.6433 2.3257 2.3257 2.4367 2.4367 2.9957 2.9957 3.2978 3.2978 3.6738 3.6738 4.2948 4.2948 8.2271 8.2271 9.1367 9.1367 11.7089 11.7089 12.2673 12.2673 k = 0.5596 0.4484 0.0571 ( 2088 PWs) bands (ev): -22.5230 -22.5230 -18.0668 -18.0668 -5.7120 -5.7120 -3.6475 -3.6475 -3.6022 -3.6022 -3.4927 -3.4927 1.5007 1.5007 1.6375 1.6375 2.3081 2.3081 2.4280 2.4280 2.9911 2.9911 3.2962 3.2962 3.6882 3.6882 4.2899 4.2899 8.2310 8.2310 9.1848 9.1848 11.6780 11.6780 12.3005 12.3005 k = 0.5522 0.4557 0.0500 ( 2084 PWs) bands (ev): -22.5228 -22.5228 -18.0675 -18.0675 -5.7083 -5.7083 -3.6481 -3.6481 -3.5966 -3.5966 -3.4932 -3.4932 1.5052 1.5052 1.6324 1.6324 2.2902 2.2902 2.4221 2.4221 2.9870 2.9870 3.2948 3.2948 3.7013 3.7013 4.2856 4.2856 8.2346 8.2346 9.2279 9.2279 11.6504 11.6504 12.3365 12.3365 k = 0.5447 0.4630 0.0429 ( 2082 PWs) bands (ev): -22.5226 -22.5226 -18.0680 -18.0680 -5.7051 -5.7051 -3.6487 -3.6487 -3.5916 -3.5916 -3.4936 -3.4936 1.5089 1.5089 1.6279 1.6279 2.2733 2.2733 2.4179 2.4179 2.9835 2.9835 3.2935 3.2935 3.7129 3.7129 4.2820 4.2820 8.2377 8.2377 9.2659 9.2659 11.6263 11.6263 12.3748 12.3748 k = 0.5373 0.4704 0.0357 ( 2082 PWs) bands (ev): -22.5225 -22.5225 -18.0685 -18.0685 -5.7022 -5.7022 -3.6492 -3.6492 -3.5873 -3.5873 -3.4940 -3.4940 1.5121 1.5121 1.6240 1.6240 2.2580 2.2580 2.4149 2.4149 2.9805 2.9805 3.2923 3.2923 3.7230 3.7230 4.2790 4.2790 8.2404 8.2404 9.2984 9.2984 11.6056 11.6056 12.4146 12.4146 k = 0.5298 0.4777 0.0286 ( 2078 PWs) bands (ev): -22.5224 -22.5224 -18.0689 -18.0689 -5.6999 -5.6999 -3.6495 -3.6495 -3.5838 -3.5838 -3.4943 -3.4943 1.5146 1.5146 1.6208 1.6208 2.2450 2.2450 2.4128 2.4128 2.9781 2.9781 3.2913 3.2913 3.7315 3.7315 4.2767 4.2767 8.2427 8.2427 9.3253 9.3253 11.5887 11.5887 12.4544 12.4544 k = 0.5224 0.4851 0.0214 ( 2082 PWs) bands (ev): -22.5223 -22.5223 -18.0692 -18.0692 -5.6981 -5.6981 -3.6498 -3.6498 -3.5810 -3.5810 -3.4946 -3.4946 1.5166 1.5166 1.6183 1.6183 2.2346 2.2346 2.4113 2.4113 2.9762 2.9762 3.2905 3.2905 3.7381 3.7381 4.2748 4.2748 8.2444 8.2444 9.3464 9.3464 11.5754 11.5754 12.4922 12.4922 k = 0.5149 0.4924 0.0143 ( 2078 PWs) bands (ev): -22.5222 -22.5222 -18.0694 -18.0694 -5.6967 -5.6967 -3.6500 -3.6500 -3.5789 -3.5789 -3.4947 -3.4947 1.5180 1.5180 1.6166 1.6166 2.2269 2.2269 2.4104 2.4104 2.9749 2.9749 3.2900 3.2900 3.7428 3.7428 4.2735 4.2735 8.2457 8.2457 9.3615 9.3615 11.5659 11.5659 12.5247 12.5247 k = 0.5075 0.4998 0.0071 ( 2078 PWs) bands (ev): -22.5222 -22.5222 -18.0696 -18.0696 -5.6959 -5.6959 -3.6502 -3.6502 -3.5777 -3.5777 -3.4948 -3.4948 1.5188 1.5188 1.6155 1.6155 2.2223 2.2223 2.4098 2.4098 2.9741 2.9741 3.2897 3.2897 3.7457 3.7457 4.2727 4.2727 8.2465 8.2465 9.3707 9.3707 11.5601 11.5601 12.5473 12.5473 k = 0.5000 0.5071 0.0000 ( 2090 PWs) bands (ev): -22.5222 -22.5222 -18.0696 -18.0696 -5.6956 -5.6956 -3.6502 -3.6502 -3.5773 -3.5773 -3.4949 -3.4949 1.5190 1.5190 1.6152 1.6152 2.2207 2.2207 2.4096 2.4096 2.9738 2.9738 3.2894 3.2894 3.7466 3.7466 4.2724 4.2724 8.2467 8.2467 9.3737 9.3737 11.5582 11.5582 12.5555 12.5555 Writing output data file AgNO2.save init_run : 1.98s CPU 12.56s WALL ( 1 calls) electrons : 301.65s CPU 306.48s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.65s CPU 2.00s WALL ( 1 calls) Called by electrons: c_bands : 301.64s CPU 306.25s WALL ( 1 calls) v_of_rho : 0.14s CPU 0.98s WALL ( 1 calls) v_h : 0.03s CPU 0.06s WALL ( 1 calls) v_xc : 0.11s CPU 0.60s WALL ( 1 calls) newd : 0.32s CPU 0.52s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.16s WALL ( 448 calls) cegterg : 274.63s CPU 276.64s WALL ( 597 calls) Called by sum_band: Called by *egterg: h_psi : 134.31s CPU 139.75s WALL ( 10338 calls) s_psi : 8.04s CPU 8.66s WALL ( 10338 calls) g_psi : 0.24s CPU 0.33s WALL ( 9293 calls) cdiaghg : 101.10s CPU 99.64s WALL ( 9741 calls) cegterg:over : 23.62s CPU 20.70s WALL ( 9293 calls) cegterg:upda : 1.79s CPU 3.89s WALL ( 9293 calls) cegterg:last : 2.19s CPU 2.93s WALL ( 1978 calls) Called by h_psi: h_psi:vloc : 115.51s CPU 120.42s WALL ( 10338 calls) h_psi:vnl : 18.74s CPU 19.06s WALL ( 10338 calls) add_vuspsi : 3.19s CPU 6.43s WALL ( 10338 calls) General routines calbec : 15.54s CPU 12.53s WALL ( 10338 calls) fft : 0.28s CPU 1.53s WALL ( 19 calls) ffts : 0.34s CPU 0.56s WALL ( 4 calls) fftw : 111.17s CPU 114.53s WALL ( 944636 calls) interpolate : 0.38s CPU 0.63s WALL ( 4 calls) davcio : 0.04s CPU 0.88s WALL ( 896 calls) Parallel routines fft_scatter : 77.32s CPU 80.29s WALL ( 944659 calls) PWSCF : 5m45.36s CPU 7m12.60s WALL This run was terminated on: 17:20:38 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=