Program PWSCF v.5.1.1 starts on 18Jul2015 at 16:51:44 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./YS.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 67 41 12 1671 807 133 Max 68 42 13 1673 826 136 Sum 3235 2005 603 80243 39237 6447 bravais-lattice index = 14 lattice parameter (alat) = 21.7234 a.u. unit-cell volume = 1147.1574 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 21.723418 celldm(2)= 0.997226 celldm(3)= 0.339979 celldm(4)= 0.162292 celldm(5)= 0.178137 celldm(6)= 0.942050 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.939437 0.334541 0.000000 ) a(3) = ( 0.060563 -0.005597 0.334494 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.808135 -0.228045 ) b(2) = ( 0.000000 2.989168 0.050015 ) b(3) = ( 0.000000 0.000000 2.989586 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Y read from file: /home/autes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 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 1223 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 S 6.00 32.06500 S( 1.00) Y 11.00 88.90590 Y( 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= 404 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 2) = ( 0.0089286 -0.0250726 0.0246566), wk = 0.0024752 k( 3) = ( 0.0178571 -0.0501453 0.0493132), wk = 0.0024752 k( 4) = ( 0.0267857 -0.0752179 0.0739699), wk = 0.0024752 k( 5) = ( 0.0357143 -0.1002906 0.0986265), wk = 0.0024752 k( 6) = ( 0.0446429 -0.1253632 0.1232831), wk = 0.0024752 k( 7) = ( 0.0535714 -0.1504358 0.1479397), wk = 0.0024752 k( 8) = ( 0.0625000 -0.1755084 0.1725964), wk = 0.0024752 k( 9) = ( 0.0714286 -0.2005811 0.1972530), wk = 0.0024752 k( 10) = ( 0.0803571 -0.2256537 0.2219096), wk = 0.0024752 k( 11) = ( 0.0892857 -0.2507263 0.2465662), wk = 0.0024752 k( 12) = ( 0.0982143 -0.2757990 0.2712229), wk = 0.0024752 k( 13) = ( 0.1071429 -0.3008716 0.2958795), wk = 0.0024752 k( 14) = ( 0.1160714 -0.3259443 0.3205361), wk = 0.0024752 k( 15) = ( 0.1250000 -0.3510169 0.3451927), wk = 0.0024752 k( 16) = ( 0.1339286 -0.3760895 0.3698494), wk = 0.0024752 k( 17) = ( 0.1428571 -0.4011621 0.3945060), wk = 0.0024752 k( 18) = ( 0.1517857 -0.4262348 0.4191626), wk = 0.0024752 k( 19) = ( 0.1607143 -0.4513074 0.4438192), wk = 0.0024752 k( 20) = ( 0.1696429 -0.4763801 0.4684759), wk = 0.0024752 k( 21) = ( 0.1785714 -0.5014527 0.4931325), wk = 0.0024752 k( 22) = ( 0.1875000 -0.5265253 0.5177891), wk = 0.0024752 k( 23) = ( 0.1964286 -0.5515980 0.5424457), wk = 0.0024752 k( 24) = ( 0.2053571 -0.5766706 0.5671023), wk = 0.0024752 k( 25) = ( 0.2142857 -0.6017432 0.5917590), wk = 0.0024752 k( 26) = ( 0.2232143 -0.6268159 0.6164156), wk = 0.0024752 k( 27) = ( 0.2321429 -0.6518885 0.6410722), wk = 0.0024752 k( 28) = ( 0.2410714 -0.6769611 0.6657289), wk = 0.0024752 k( 29) = ( 0.2500000 -0.7020338 0.6903855), wk = 0.0024752 k( 30) = ( 0.2589286 -0.7271064 0.7150421), wk = 0.0024752 k( 31) = ( 0.2678571 -0.7521790 0.7396987), wk = 0.0024752 k( 32) = ( 0.2767857 -0.7772517 0.7643553), wk = 0.0024752 k( 33) = ( 0.2857143 -0.8023243 0.7890120), wk = 0.0024752 k( 34) = ( 0.2946429 -0.8273970 0.8136686), wk = 0.0024752 k( 35) = ( 0.3035714 -0.8524696 0.8383252), wk = 0.0024752 k( 36) = ( 0.3125000 -0.8775422 0.8629818), wk = 0.0024752 k( 37) = ( 0.3214286 -0.9026148 0.8876385), wk = 0.0024752 k( 38) = ( 0.3303571 -0.9276875 0.9122951), wk = 0.0024752 k( 39) = ( 0.3392857 -0.9527601 0.9369517), wk = 0.0024752 k( 40) = ( 0.3482143 -0.9778328 0.9616084), wk = 0.0024752 k( 41) = ( 0.3571429 -1.0029054 0.9862650), wk = 0.0024752 k( 42) = ( 0.3660714 -1.0279780 1.0109216), wk = 0.0024752 k( 43) = ( 0.3750000 -1.0530507 1.0355782), wk = 0.0024752 k( 44) = ( 0.3839286 -1.0781233 1.0602348), wk = 0.0024752 k( 45) = ( 0.3928571 -1.1031959 1.0848915), wk = 0.0024752 k( 46) = ( 0.4017857 -1.1282685 1.1095481), wk = 0.0024752 k( 47) = ( 0.4107143 -1.1533412 1.1342047), wk = 0.0024752 k( 48) = ( 0.4196429 -1.1784138 1.1588613), wk = 0.0024752 k( 49) = ( 0.4285714 -1.2034865 1.1835180), wk = 0.0024752 k( 50) = ( 0.4375000 -1.2285591 1.2081746), wk = 0.0024752 k( 51) = ( 0.4464286 -1.2536317 1.2328312), wk = 0.0024752 k( 52) = ( 0.4553571 -1.2787044 1.2574878), wk = 0.0024752 k( 53) = ( 0.4642857 -1.3037770 1.2821444), wk = 0.0024752 k( 54) = ( 0.4732143 -1.3288496 1.3068011), wk = 0.0024752 k( 55) = ( 0.4821429 -1.3539223 1.3314577), wk = 0.0024752 k( 56) = ( 0.4910714 -1.3789949 1.3561143), wk = 0.0024752 k( 57) = ( 0.5000000 -1.4040675 1.3807710), wk = 0.0024752 k( 58) = ( 0.5000000 -1.4040675 1.3807710), wk = 0.0024752 k( 59) = ( 0.5333333 -1.3980331 1.3748366), wk = 0.0024752 k( 60) = ( 0.5666667 -1.3919987 1.3689023), wk = 0.0024752 k( 61) = ( 0.6000000 -1.3859642 1.3629680), wk = 0.0024752 k( 62) = ( 0.6333333 -1.3799298 1.3570337), wk = 0.0024752 k( 63) = ( 0.6666667 -1.3738954 1.3510994), wk = 0.0024752 k( 64) = ( 0.7000000 -1.3678610 1.3451651), wk = 0.0024752 k( 65) = ( 0.7333333 -1.3618265 1.3392308), wk = 0.0024752 k( 66) = ( 0.7666667 -1.3557921 1.3332965), wk = 0.0024752 k( 67) = ( 0.8000000 -1.3497577 1.3273622), wk = 0.0024752 k( 68) = ( 0.8333333 -1.3437232 1.3214279), wk = 0.0024752 k( 69) = ( 0.8666667 -1.3376888 1.3154936), wk = 0.0024752 k( 70) = ( 0.9000000 -1.3316544 1.3095593), wk = 0.0024752 k( 71) = ( 0.9333333 -1.3256199 1.3036250), wk = 0.0024752 k( 72) = ( 0.9666667 -1.3195855 1.2976907), wk = 0.0024752 k( 73) = ( 1.0000000 -1.3135511 1.2917564), wk = 0.0024752 k( 74) = ( 1.0000000 -1.3135511 1.2917564), wk = 0.0024752 k( 75) = ( 0.9910714 -1.2884784 1.2670997), wk = 0.0024752 k( 76) = ( 0.9821429 -1.2634058 1.2424431), wk = 0.0024752 k( 77) = ( 0.9732143 -1.2383332 1.2177865), wk = 0.0024752 k( 78) = ( 0.9642857 -1.2132605 1.1931298), wk = 0.0024752 k( 79) = ( 0.9553571 -1.1881879 1.1684732), wk = 0.0024752 k( 80) = ( 0.9464286 -1.1631153 1.1438166), wk = 0.0024752 k( 81) = ( 0.9375000 -1.1380426 1.1191600), wk = 0.0024752 k( 82) = ( 0.9285714 -1.1129700 1.0945034), wk = 0.0024752 k( 83) = ( 0.9196429 -1.0878974 1.0698467), wk = 0.0024752 k( 84) = ( 0.9107143 -1.0628247 1.0451901), wk = 0.0024752 k( 85) = ( 0.9017857 -1.0377521 1.0205335), wk = 0.0024752 k( 86) = ( 0.8928571 -1.0126795 0.9958769), wk = 0.0024752 k( 87) = ( 0.8839286 -0.9876068 0.9712202), wk = 0.0024752 k( 88) = ( 0.8750000 -0.9625342 0.9465636), wk = 0.0024752 k( 89) = ( 0.8660714 -0.9374616 0.9219070), wk = 0.0024752 k( 90) = ( 0.8571429 -0.9123889 0.8972504), wk = 0.0024752 k( 91) = ( 0.8482143 -0.8873163 0.8725938), wk = 0.0024752 k( 92) = ( 0.8392857 -0.8622436 0.8479371), wk = 0.0024752 k( 93) = ( 0.8303571 -0.8371710 0.8232805), wk = 0.0024752 k( 94) = ( 0.8214286 -0.8120984 0.7986239), wk = 0.0024752 k( 95) = ( 0.8125000 -0.7870257 0.7739672), wk = 0.0024752 k( 96) = ( 0.8035714 -0.7619531 0.7493106), wk = 0.0024752 k( 97) = ( 0.7946429 -0.7368805 0.7246540), wk = 0.0024752 k( 98) = ( 0.7857143 -0.7118079 0.6999974), wk = 0.0024752 k( 99) = ( 0.7767857 -0.6867352 0.6753407), wk = 0.0024752 k( 100) = ( 0.7678571 -0.6616626 0.6506841), wk = 0.0024752 k( 101) = ( 0.7589286 -0.6365899 0.6260275), wk = 0.0024752 k( 102) = ( 0.7500000 -0.6115173 0.6013709), wk = 0.0024752 k( 103) = ( 0.7410714 -0.5864447 0.5767143), wk = 0.0024752 k( 104) = ( 0.7321429 -0.5613720 0.5520576), wk = 0.0024752 k( 105) = ( 0.7232143 -0.5362994 0.5274010), wk = 0.0024752 k( 106) = ( 0.7142857 -0.5112268 0.5027444), wk = 0.0024752 k( 107) = ( 0.7053571 -0.4861541 0.4780878), wk = 0.0024752 k( 108) = ( 0.6964286 -0.4610815 0.4534311), wk = 0.0024752 k( 109) = ( 0.6875000 -0.4360089 0.4287745), wk = 0.0024752 k( 110) = ( 0.6785714 -0.4109362 0.4041179), wk = 0.0024752 k( 111) = ( 0.6696429 -0.3858636 0.3794613), wk = 0.0024752 k( 112) = ( 0.6607143 -0.3607910 0.3548046), wk = 0.0024752 k( 113) = ( 0.6517857 -0.3357183 0.3301480), wk = 0.0024752 k( 114) = ( 0.6428571 -0.3106457 0.3054914), wk = 0.0024752 k( 115) = ( 0.6339286 -0.2855731 0.2808348), wk = 0.0024752 k( 116) = ( 0.6250000 -0.2605004 0.2561781), wk = 0.0024752 k( 117) = ( 0.6160714 -0.2354278 0.2315215), wk = 0.0024752 k( 118) = ( 0.6071429 -0.2103552 0.2068649), wk = 0.0024752 k( 119) = ( 0.5982143 -0.1852825 0.1822083), wk = 0.0024752 k( 120) = ( 0.5892857 -0.1602099 0.1575516), wk = 0.0024752 k( 121) = ( 0.5803571 -0.1351372 0.1328950), wk = 0.0024752 k( 122) = ( 0.5714286 -0.1100646 0.1082384), wk = 0.0024752 k( 123) = ( 0.5625000 -0.0849920 0.0835818), wk = 0.0024752 k( 124) = ( 0.5535714 -0.0599193 0.0589252), wk = 0.0024752 k( 125) = ( 0.5446429 -0.0348467 0.0342685), wk = 0.0024752 k( 126) = ( 0.5357143 -0.0097741 0.0096119), wk = 0.0024752 k( 127) = ( 0.5267857 0.0152986 -0.0150447), wk = 0.0024752 k( 128) = ( 0.5178571 0.0403712 -0.0397014), wk = 0.0024752 k( 129) = ( 0.5089286 0.0654438 -0.0643580), wk = 0.0024752 k( 130) = ( 0.5000000 0.0905165 -0.0890146), wk = 0.0024752 k( 131) = ( 0.5000000 0.0905165 -0.0890146), wk = 0.0024752 k( 132) = ( 0.4666667 0.0844820 -0.0830803), wk = 0.0024752 k( 133) = ( 0.4333333 0.0784476 -0.0771460), wk = 0.0024752 k( 134) = ( 0.4000000 0.0724132 -0.0712117), wk = 0.0024752 k( 135) = ( 0.3666667 0.0663787 -0.0652774), wk = 0.0024752 k( 136) = ( 0.3333333 0.0603443 -0.0593431), wk = 0.0024752 k( 137) = ( 0.3000000 0.0543099 -0.0534088), wk = 0.0024752 k( 138) = ( 0.2666667 0.0482754 -0.0474745), wk = 0.0024752 k( 139) = ( 0.2333333 0.0422410 -0.0415401), wk = 0.0024752 k( 140) = ( 0.2000000 0.0362066 -0.0356058), wk = 0.0024752 k( 141) = ( 0.1666667 0.0301722 -0.0296715), wk = 0.0024752 k( 142) = ( 0.1333333 0.0241377 -0.0237372), wk = 0.0024752 k( 143) = ( 0.1000000 0.0181033 -0.0178029), wk = 0.0024752 k( 144) = ( 0.0666667 0.0120689 -0.0118686), wk = 0.0024752 k( 145) = ( 0.0333333 0.0060344 -0.0059343), wk = 0.0024752 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 148) = ( 0.0000000 0.0253447 0.0257723), wk = 0.0024752 k( 149) = ( 0.0000000 0.0506894 0.0515446), wk = 0.0024752 k( 150) = ( 0.0000000 0.0760340 0.0773169), wk = 0.0024752 k( 151) = ( 0.0000000 0.1013787 0.1030892), wk = 0.0024752 k( 152) = ( 0.0000000 0.1267234 0.1288615), wk = 0.0024752 k( 153) = ( 0.0000000 0.1520681 0.1546338), wk = 0.0024752 k( 154) = ( 0.0000000 0.1774127 0.1804061), wk = 0.0024752 k( 155) = ( 0.0000000 0.2027574 0.2061784), wk = 0.0024752 k( 156) = ( 0.0000000 0.2281021 0.2319507), wk = 0.0024752 k( 157) = ( 0.0000000 0.2534468 0.2577230), wk = 0.0024752 k( 158) = ( 0.0000000 0.2787915 0.2834953), wk = 0.0024752 k( 159) = ( 0.0000000 0.3041361 0.3092676), wk = 0.0024752 k( 160) = ( 0.0000000 0.3294808 0.3350399), wk = 0.0024752 k( 161) = ( 0.0000000 0.3548255 0.3608122), wk = 0.0024752 k( 162) = ( 0.0000000 0.3801702 0.3865845), wk = 0.0024752 k( 163) = ( 0.0000000 0.4055148 0.4123567), wk = 0.0024752 k( 164) = ( 0.0000000 0.4308595 0.4381290), wk = 0.0024752 k( 165) = ( 0.0000000 0.4562042 0.4639013), wk = 0.0024752 k( 166) = ( 0.0000000 0.4815489 0.4896736), wk = 0.0024752 k( 167) = ( 0.0000000 0.5068935 0.5154459), wk = 0.0024752 k( 168) = ( 0.0000000 0.5322382 0.5412182), wk = 0.0024752 k( 169) = ( 0.0000000 0.5575829 0.5669905), wk = 0.0024752 k( 170) = ( 0.0000000 0.5829276 0.5927628), wk = 0.0024752 k( 171) = ( 0.0000000 0.6082723 0.6185351), wk = 0.0024752 k( 172) = ( 0.0000000 0.6336169 0.6443074), wk = 0.0024752 k( 173) = ( 0.0000000 0.6589616 0.6700797), wk = 0.0024752 k( 174) = ( 0.0000000 0.6843063 0.6958520), wk = 0.0024752 k( 175) = ( 0.0000000 0.7096510 0.7216243), wk = 0.0024752 k( 176) = ( 0.0000000 0.7349956 0.7473966), wk = 0.0024752 k( 177) = ( 0.0000000 0.7603403 0.7731689), wk = 0.0024752 k( 178) = ( 0.0000000 0.7856850 0.7989412), wk = 0.0024752 k( 179) = ( 0.0000000 0.8110297 0.8247135), wk = 0.0024752 k( 180) = ( 0.0000000 0.8363744 0.8504858), wk = 0.0024752 k( 181) = ( 0.0000000 0.8617190 0.8762581), wk = 0.0024752 k( 182) = ( 0.0000000 0.8870637 0.9020304), wk = 0.0024752 k( 183) = ( 0.0000000 0.9124084 0.9278027), wk = 0.0024752 k( 184) = ( 0.0000000 0.9377531 0.9535750), wk = 0.0024752 k( 185) = ( 0.0000000 0.9630977 0.9793473), wk = 0.0024752 k( 186) = ( 0.0000000 0.9884424 1.0051196), wk = 0.0024752 k( 187) = ( 0.0000000 1.0137871 1.0308919), wk = 0.0024752 k( 188) = ( 0.0000000 1.0391318 1.0566642), wk = 0.0024752 k( 189) = ( 0.0000000 1.0644764 1.0824365), wk = 0.0024752 k( 190) = ( 0.0000000 1.0898211 1.1082088), wk = 0.0024752 k( 191) = ( 0.0000000 1.1151658 1.1339811), wk = 0.0024752 k( 192) = ( 0.0000000 1.1405105 1.1597534), wk = 0.0024752 k( 193) = ( 0.0000000 1.1658552 1.1855257), wk = 0.0024752 k( 194) = ( 0.0000000 1.1911998 1.2112979), wk = 0.0024752 k( 195) = ( 0.0000000 1.2165445 1.2370702), wk = 0.0024752 k( 196) = ( 0.0000000 1.2418892 1.2628425), wk = 0.0024752 k( 197) = ( 0.0000000 1.2672339 1.2886148), wk = 0.0024752 k( 198) = ( 0.0000000 1.2925785 1.3143871), wk = 0.0024752 k( 199) = ( 0.0000000 1.3179232 1.3401594), wk = 0.0024752 k( 200) = ( 0.0000000 1.3432679 1.3659317), wk = 0.0024752 k( 201) = ( 0.0000000 1.3686126 1.3917040), wk = 0.0024752 k( 202) = ( 0.0000000 1.3939573 1.4174763), wk = 0.0024752 k( 203) = ( 0.0000000 1.4193019 1.4432486), wk = 0.0024752 k( 204) = ( 0.0000000 1.4446466 1.4690209), wk = 0.0024752 k( 205) = ( 0.0000000 1.4699913 1.4947932), wk = 0.0024752 k( 206) = ( 0.0000000 1.4699913 1.4947932), wk = 0.0024752 k( 207) = ( 0.0064935 1.4341221 1.4947932), wk = 0.0024752 k( 208) = ( 0.0129870 1.3982529 1.4947932), wk = 0.0024752 k( 209) = ( 0.0194805 1.3623837 1.4947932), wk = 0.0024752 k( 210) = ( 0.0259740 1.3265145 1.4947932), wk = 0.0024752 k( 211) = ( 0.0324675 1.2906453 1.4947932), wk = 0.0024752 k( 212) = ( 0.0389610 1.2547761 1.4947932), wk = 0.0024752 k( 213) = ( 0.0454546 1.2189069 1.4947932), wk = 0.0024752 k( 214) = ( 0.0519481 1.1830377 1.4947932), wk = 0.0024752 k( 215) = ( 0.0584416 1.1471685 1.4947932), wk = 0.0024752 k( 216) = ( 0.0649351 1.1112993 1.4947932), wk = 0.0024752 k( 217) = ( 0.0714286 1.0754301 1.4947932), wk = 0.0024752 k( 218) = ( 0.0779221 1.0395609 1.4947932), wk = 0.0024752 k( 219) = ( 0.0844156 1.0036917 1.4947932), wk = 0.0024752 k( 220) = ( 0.0909091 0.9678225 1.4947932), wk = 0.0024752 k( 221) = ( 0.0974026 0.9319533 1.4947932), wk = 0.0024752 k( 222) = ( 0.1038961 0.8960841 1.4947932), wk = 0.0024752 k( 223) = ( 0.1103896 0.8602149 1.4947932), wk = 0.0024752 k( 224) = ( 0.1168831 0.8243457 1.4947932), wk = 0.0024752 k( 225) = ( 0.1233766 0.7884765 1.4947932), wk = 0.0024752 k( 226) = ( 0.1298701 0.7526073 1.4947932), wk = 0.0024752 k( 227) = ( 0.1363636 0.7167381 1.4947932), wk = 0.0024752 k( 228) = ( 0.1428571 0.6808689 1.4947932), wk = 0.0024752 k( 229) = ( 0.1493507 0.6449997 1.4947932), wk = 0.0024752 k( 230) = ( 0.1558442 0.6091305 1.4947932), wk = 0.0024752 k( 231) = ( 0.1623377 0.5732613 1.4947932), wk = 0.0024752 k( 232) = ( 0.1688312 0.5373921 1.4947932), wk = 0.0024752 k( 233) = ( 0.1753247 0.5015229 1.4947932), wk = 0.0024752 k( 234) = ( 0.1818182 0.4656537 1.4947932), wk = 0.0024752 k( 235) = ( 0.1883117 0.4297845 1.4947932), wk = 0.0024752 k( 236) = ( 0.1948052 0.3939153 1.4947932), wk = 0.0024752 k( 237) = ( 0.2012987 0.3580461 1.4947932), wk = 0.0024752 k( 238) = ( 0.2077922 0.3221769 1.4947932), wk = 0.0024752 k( 239) = ( 0.2142857 0.2863077 1.4947932), wk = 0.0024752 k( 240) = ( 0.2207792 0.2504385 1.4947932), wk = 0.0024752 k( 241) = ( 0.2272727 0.2145692 1.4947932), wk = 0.0024752 k( 242) = ( 0.2337662 0.1787001 1.4947932), wk = 0.0024752 k( 243) = ( 0.2402597 0.1428309 1.4947932), wk = 0.0024752 k( 244) = ( 0.2467533 0.1069616 1.4947932), wk = 0.0024752 k( 245) = ( 0.2532468 0.0710925 1.4947932), wk = 0.0024752 k( 246) = ( 0.2597403 0.0352233 1.4947932), wk = 0.0024752 k( 247) = ( 0.2662338 -0.0006460 1.4947932), wk = 0.0024752 k( 248) = ( 0.2727273 -0.0365151 1.4947932), wk = 0.0024752 k( 249) = ( 0.2792208 -0.0723843 1.4947932), wk = 0.0024752 k( 250) = ( 0.2857143 -0.1082536 1.4947932), wk = 0.0024752 k( 251) = ( 0.2922078 -0.1441227 1.4947932), wk = 0.0024752 k( 252) = ( 0.2987013 -0.1799919 1.4947932), wk = 0.0024752 k( 253) = ( 0.3051948 -0.2158612 1.4947932), wk = 0.0024752 k( 254) = ( 0.3116883 -0.2517304 1.4947932), wk = 0.0024752 k( 255) = ( 0.3181818 -0.2875995 1.4947932), wk = 0.0024752 k( 256) = ( 0.3246753 -0.3234687 1.4947932), wk = 0.0024752 k( 257) = ( 0.3311688 -0.3593380 1.4947932), wk = 0.0024752 k( 258) = ( 0.3376623 -0.3952071 1.4947932), wk = 0.0024752 k( 259) = ( 0.3441558 -0.4310763 1.4947932), wk = 0.0024752 k( 260) = ( 0.3506494 -0.4669456 1.4947932), wk = 0.0024752 k( 261) = ( 0.3571429 -0.5028148 1.4947932), wk = 0.0024752 k( 262) = ( 0.3636364 -0.5386839 1.4947932), wk = 0.0024752 k( 263) = ( 0.3701299 -0.5745532 1.4947932), wk = 0.0024752 k( 264) = ( 0.3766234 -0.6104224 1.4947932), wk = 0.0024752 k( 265) = ( 0.3831169 -0.6462915 1.4947932), wk = 0.0024752 k( 266) = ( 0.3896104 -0.6821608 1.4947932), wk = 0.0024752 k( 267) = ( 0.3961039 -0.7180300 1.4947932), wk = 0.0024752 k( 268) = ( 0.4025974 -0.7538991 1.4947932), wk = 0.0024752 k( 269) = ( 0.4090909 -0.7897684 1.4947932), wk = 0.0024752 k( 270) = ( 0.4155844 -0.8256376 1.4947932), wk = 0.0024752 k( 271) = ( 0.4220779 -0.8615067 1.4947932), wk = 0.0024752 k( 272) = ( 0.4285714 -0.8973760 1.4947932), wk = 0.0024752 k( 273) = ( 0.4350649 -0.9332452 1.4947932), wk = 0.0024752 k( 274) = ( 0.4415584 -0.9691143 1.4947932), wk = 0.0024752 k( 275) = ( 0.4480519 -1.0049836 1.4947932), wk = 0.0024752 k( 276) = ( 0.4545455 -1.0408528 1.4947932), wk = 0.0024752 k( 277) = ( 0.4610390 -1.0767219 1.4947932), wk = 0.0024752 k( 278) = ( 0.4675325 -1.1125912 1.4947932), wk = 0.0024752 k( 279) = ( 0.4740260 -1.1484604 1.4947932), wk = 0.0024752 k( 280) = ( 0.4805195 -1.1843296 1.4947932), wk = 0.0024752 k( 281) = ( 0.4870130 -1.2201988 1.4947932), wk = 0.0024752 k( 282) = ( 0.4935065 -1.2560680 1.4947932), wk = 0.0024752 k( 283) = ( 0.5000000 -1.2919372 1.4947932), wk = 0.0024752 k( 284) = ( 0.5000000 -1.2919372 1.4947932), wk = 0.0024752 k( 285) = ( 0.5000000 -1.3143632 1.4719888), wk = 0.0024752 k( 286) = ( 0.5000000 -1.3367893 1.4491843), wk = 0.0024752 k( 287) = ( 0.5000000 -1.3592154 1.4263798), wk = 0.0024752 k( 288) = ( 0.5000000 -1.3816415 1.4035754), wk = 0.0024752 k( 289) = ( 0.5000000 -1.4040675 1.3807710), wk = 0.0024752 k( 290) = ( 1.0000000 -1.3135511 1.2917564), wk = 0.0024752 k( 291) = ( 1.0000000 -1.2889584 1.3167640), wk = 0.0024752 k( 292) = ( 0.0000000 1.4699913 1.4947932), wk = 0.0024752 k( 293) = ( 0.0333333 1.4701899 1.4829246), wk = 0.0024752 k( 294) = ( 0.0666667 1.4703884 1.4710560), wk = 0.0024752 k( 295) = ( 0.1000000 1.4705870 1.4591874), wk = 0.0024752 k( 296) = ( 0.1333333 1.4707856 1.4473188), wk = 0.0024752 k( 297) = ( 0.1666667 1.4709842 1.4354501), wk = 0.0024752 k( 298) = ( 0.2000000 1.4711828 1.4235815), wk = 0.0024752 k( 299) = ( 0.2333333 1.4713814 1.4117129), wk = 0.0024752 k( 300) = ( 0.2666667 1.4715800 1.3998443), wk = 0.0024752 k( 301) = ( 0.3000000 1.4717786 1.3879757), wk = 0.0024752 k( 302) = ( 0.3333333 1.4719772 1.3761071), wk = 0.0024752 k( 303) = ( 0.3666667 1.4721757 1.3642385), wk = 0.0024752 k( 304) = ( 0.4000000 1.4723743 1.3523699), wk = 0.0024752 k( 305) = ( 0.4333333 1.4725729 1.3405013), wk = 0.0024752 k( 306) = ( 0.4666667 1.4727715 1.3286326), wk = 0.0024752 k( 307) = ( 0.5000000 1.4729701 1.3167640), wk = 0.0024752 k( 308) = ( 0.5000000 1.4729701 1.3167640), wk = 0.0024752 k( 309) = ( 0.5000000 1.4473691 1.2907311), wk = 0.0024752 k( 310) = ( 0.5000000 1.4217681 1.2646981), wk = 0.0024752 k( 311) = ( 0.5000000 1.3961671 1.2386652), wk = 0.0024752 k( 312) = ( 0.5000000 1.3705661 1.2126323), wk = 0.0024752 k( 313) = ( 0.5000000 1.3449651 1.1865993), wk = 0.0024752 k( 314) = ( 0.5000000 1.3193642 1.1605664), wk = 0.0024752 k( 315) = ( 0.5000000 1.2937632 1.1345335), wk = 0.0024752 k( 316) = ( 0.5000000 1.2681622 1.1085005), wk = 0.0024752 k( 317) = ( 0.5000000 1.2425612 1.0824676), wk = 0.0024752 k( 318) = ( 0.5000000 1.2169602 1.0564346), wk = 0.0024752 k( 319) = ( 0.5000000 1.1913592 1.0304017), wk = 0.0024752 k( 320) = ( 0.5000000 1.1657582 1.0043688), wk = 0.0024752 k( 321) = ( 0.5000000 1.1401572 0.9783358), wk = 0.0024752 k( 322) = ( 0.5000000 1.1145562 0.9523029), wk = 0.0024752 k( 323) = ( 0.5000000 1.0889552 0.9262700), wk = 0.0024752 k( 324) = ( 0.5000000 1.0633542 0.9002370), wk = 0.0024752 k( 325) = ( 0.5000000 1.0377532 0.8742041), wk = 0.0024752 k( 326) = ( 0.5000000 1.0121522 0.8481712), wk = 0.0024752 k( 327) = ( 0.5000000 0.9865512 0.8221382), wk = 0.0024752 k( 328) = ( 0.5000000 0.9609502 0.7961053), wk = 0.0024752 k( 329) = ( 0.5000000 0.9353492 0.7700723), wk = 0.0024752 k( 330) = ( 0.5000000 0.9097482 0.7440394), wk = 0.0024752 k( 331) = ( 0.5000000 0.8841473 0.7180065), wk = 0.0024752 k( 332) = ( 0.5000000 0.8585463 0.6919735), wk = 0.0024752 k( 333) = ( 0.5000000 0.8329453 0.6659406), wk = 0.0024752 k( 334) = ( 0.5000000 0.8073443 0.6399076), wk = 0.0024752 k( 335) = ( 0.5000000 0.7817433 0.6138747), wk = 0.0024752 k( 336) = ( 0.5000000 0.7561423 0.5878418), wk = 0.0024752 k( 337) = ( 0.5000000 0.7305413 0.5618088), wk = 0.0024752 k( 338) = ( 0.5000000 0.7049403 0.5357759), wk = 0.0024752 k( 339) = ( 0.5000000 0.6793393 0.5097430), wk = 0.0024752 k( 340) = ( 0.5000000 0.6537383 0.4837100), wk = 0.0024752 k( 341) = ( 0.5000000 0.6281373 0.4576771), wk = 0.0024752 k( 342) = ( 0.5000000 0.6025363 0.4316441), wk = 0.0024752 k( 343) = ( 0.5000000 0.5769353 0.4056112), wk = 0.0024752 k( 344) = ( 0.5000000 0.5513343 0.3795783), wk = 0.0024752 k( 345) = ( 0.5000000 0.5257333 0.3535453), wk = 0.0024752 k( 346) = ( 0.5000000 0.5001324 0.3275124), wk = 0.0024752 k( 347) = ( 0.5000000 0.4745314 0.3014795), wk = 0.0024752 k( 348) = ( 0.5000000 0.4489304 0.2754465), wk = 0.0024752 k( 349) = ( 0.5000000 0.4233294 0.2494136), wk = 0.0024752 k( 350) = ( 0.5000000 0.3977284 0.2233807), wk = 0.0024752 k( 351) = ( 0.5000000 0.3721274 0.1973477), wk = 0.0024752 k( 352) = ( 0.5000000 0.3465264 0.1713148), wk = 0.0024752 k( 353) = ( 0.5000000 0.3209254 0.1452818), wk = 0.0024752 k( 354) = ( 0.5000000 0.2953244 0.1192489), wk = 0.0024752 k( 355) = ( 0.5000000 0.2697234 0.0932160), wk = 0.0024752 k( 356) = ( 0.5000000 0.2441224 0.0671830), wk = 0.0024752 k( 357) = ( 0.5000000 0.2185214 0.0411501), wk = 0.0024752 k( 358) = ( 0.5000000 0.1929204 0.0151171), wk = 0.0024752 k( 359) = ( 0.5000000 0.1673194 -0.0109158), wk = 0.0024752 k( 360) = ( 0.5000000 0.1417185 -0.0369487), wk = 0.0024752 k( 361) = ( 0.5000000 0.1161175 -0.0629817), wk = 0.0024752 k( 362) = ( 0.5000000 0.0905165 -0.0890146), wk = 0.0024752 k( 363) = ( 0.5000000 0.0905165 1.4057786), wk = 0.0024752 k( 364) = ( 0.4878049 0.0883087 1.3714913), wk = 0.0024752 k( 365) = ( 0.4756098 0.0861010 1.3372041), wk = 0.0024752 k( 366) = ( 0.4634146 0.0838933 1.3029167), wk = 0.0024752 k( 367) = ( 0.4512195 0.0816856 1.2686295), wk = 0.0024752 k( 368) = ( 0.4390244 0.0794779 1.2343422), wk = 0.0024752 k( 369) = ( 0.4268293 0.0772702 1.2000549), wk = 0.0024752 k( 370) = ( 0.4146341 0.0750624 1.1657676), wk = 0.0024752 k( 371) = ( 0.4024390 0.0728547 1.1314803), wk = 0.0024752 k( 372) = ( 0.3902439 0.0706470 1.0971931), wk = 0.0024752 k( 373) = ( 0.3780488 0.0684393 1.0629058), wk = 0.0024752 k( 374) = ( 0.3658537 0.0662316 1.0286185), wk = 0.0024752 k( 375) = ( 0.3536585 0.0640238 0.9943312), wk = 0.0024752 k( 376) = ( 0.3414634 0.0618161 0.9600439), wk = 0.0024752 k( 377) = ( 0.3292683 0.0596084 0.9257566), wk = 0.0024752 k( 378) = ( 0.3170732 0.0574007 0.8914694), wk = 0.0024752 k( 379) = ( 0.3048781 0.0551930 0.8571821), wk = 0.0024752 k( 380) = ( 0.2926829 0.0529852 0.8228948), wk = 0.0024752 k( 381) = ( 0.2804878 0.0507775 0.7886075), wk = 0.0024752 k( 382) = ( 0.2682927 0.0485698 0.7543202), wk = 0.0024752 k( 383) = ( 0.2560976 0.0463621 0.7200329), wk = 0.0024752 k( 384) = ( 0.2439024 0.0441544 0.6857457), wk = 0.0024752 k( 385) = ( 0.2317073 0.0419467 0.6514584), wk = 0.0024752 k( 386) = ( 0.2195122 0.0397389 0.6171711), wk = 0.0024752 k( 387) = ( 0.2073171 0.0375312 0.5828838), wk = 0.0024752 k( 388) = ( 0.1951219 0.0353235 0.5485965), wk = 0.0024752 k( 389) = ( 0.1829268 0.0331158 0.5143092), wk = 0.0024752 k( 390) = ( 0.1707317 0.0309081 0.4800220), wk = 0.0024752 k( 391) = ( 0.1585366 0.0287003 0.4457347), wk = 0.0024752 k( 392) = ( 0.1463415 0.0264926 0.4114474), wk = 0.0024752 k( 393) = ( 0.1341463 0.0242849 0.3771601), wk = 0.0024752 k( 394) = ( 0.1219512 0.0220772 0.3428728), wk = 0.0024752 k( 395) = ( 0.1097561 0.0198695 0.3085856), wk = 0.0024752 k( 396) = ( 0.0975610 0.0176618 0.2742983), wk = 0.0024752 k( 397) = ( 0.0853658 0.0154540 0.2400110), wk = 0.0024752 k( 398) = ( 0.0731707 0.0132463 0.2057237), wk = 0.0024752 k( 399) = ( 0.0609756 0.0110386 0.1714364), wk = 0.0024752 k( 400) = ( 0.0487805 0.0088309 0.1371491), wk = 0.0024752 k( 401) = ( 0.0365854 0.0066232 0.1028619), wk = 0.0024752 k( 402) = ( 0.0243902 0.0044154 0.0685746), wk = 0.0024752 k( 403) = ( 0.0121951 0.0022077 0.0342873), wk = 0.0024752 k( 404) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 2) = ( 0.0089286 0.0000000 0.0089286), wk = 0.0024752 k( 3) = ( 0.0178571 0.0000000 0.0178571), wk = 0.0024752 k( 4) = ( 0.0267857 0.0000000 0.0267857), wk = 0.0024752 k( 5) = ( 0.0357143 0.0000000 0.0357143), wk = 0.0024752 k( 6) = ( 0.0446429 -0.0000000 0.0446429), wk = 0.0024752 k( 7) = ( 0.0535714 -0.0000000 0.0535714), wk = 0.0024752 k( 8) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0024752 k( 9) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0024752 k( 10) = ( 0.0803571 0.0000000 0.0803571), wk = 0.0024752 k( 11) = ( 0.0892857 0.0000000 0.0892857), wk = 0.0024752 k( 12) = ( 0.0982143 -0.0000000 0.0982143), wk = 0.0024752 k( 13) = ( 0.1071429 -0.0000000 0.1071429), wk = 0.0024752 k( 14) = ( 0.1160714 -0.0000000 0.1160714), wk = 0.0024752 k( 15) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0024752 k( 16) = ( 0.1339286 -0.0000000 0.1339286), wk = 0.0024752 k( 17) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0024752 k( 18) = ( 0.1517857 0.0000000 0.1517857), wk = 0.0024752 k( 19) = ( 0.1607143 0.0000000 0.1607143), wk = 0.0024752 k( 20) = ( 0.1696429 -0.0000000 0.1696429), wk = 0.0024752 k( 21) = ( 0.1785714 0.0000000 0.1785714), wk = 0.0024752 k( 22) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0024752 k( 23) = ( 0.1964286 -0.0000000 0.1964286), wk = 0.0024752 k( 24) = ( 0.2053571 0.0000000 0.2053571), wk = 0.0024752 k( 25) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0024752 k( 26) = ( 0.2232143 0.0000000 0.2232143), wk = 0.0024752 k( 27) = ( 0.2321429 -0.0000000 0.2321429), wk = 0.0024752 k( 28) = ( 0.2410714 0.0000000 0.2410714), wk = 0.0024752 k( 29) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0024752 k( 30) = ( 0.2589286 -0.0000000 0.2589286), wk = 0.0024752 k( 31) = ( 0.2678571 -0.0000000 0.2678571), wk = 0.0024752 k( 32) = ( 0.2767857 0.0000000 0.2767857), wk = 0.0024752 k( 33) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0024752 k( 34) = ( 0.2946429 0.0000000 0.2946429), wk = 0.0024752 k( 35) = ( 0.3035714 0.0000000 0.3035714), wk = 0.0024752 k( 36) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0024752 k( 37) = ( 0.3214286 0.0000000 0.3214286), wk = 0.0024752 k( 38) = ( 0.3303571 0.0000000 0.3303571), wk = 0.0024752 k( 39) = ( 0.3392857 -0.0000000 0.3392857), wk = 0.0024752 k( 40) = ( 0.3482143 -0.0000000 0.3482143), wk = 0.0024752 k( 41) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0024752 k( 42) = ( 0.3660714 -0.0000000 0.3660714), wk = 0.0024752 k( 43) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0024752 k( 44) = ( 0.3839286 0.0000000 0.3839286), wk = 0.0024752 k( 45) = ( 0.3928571 -0.0000000 0.3928571), wk = 0.0024752 k( 46) = ( 0.4017857 0.0000000 0.4017857), wk = 0.0024752 k( 47) = ( 0.4107143 0.0000000 0.4107143), wk = 0.0024752 k( 48) = ( 0.4196429 0.0000000 0.4196429), wk = 0.0024752 k( 49) = ( 0.4285714 -0.0000000 0.4285714), wk = 0.0024752 k( 50) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0024752 k( 51) = ( 0.4464286 0.0000000 0.4464286), wk = 0.0024752 k( 52) = ( 0.4553571 -0.0000000 0.4553571), wk = 0.0024752 k( 53) = ( 0.4642857 -0.0000000 0.4642857), wk = 0.0024752 k( 54) = ( 0.4732143 -0.0000000 0.4732143), wk = 0.0024752 k( 55) = ( 0.4821429 0.0000000 0.4821429), wk = 0.0024752 k( 56) = ( 0.4910714 -0.0000000 0.4910714), wk = 0.0024752 k( 57) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024752 k( 58) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024752 k( 59) = ( 0.5333333 0.0333333 0.5000000), wk = 0.0024752 k( 60) = ( 0.5666667 0.0666667 0.5000000), wk = 0.0024752 k( 61) = ( 0.6000000 0.1000000 0.5000000), wk = 0.0024752 k( 62) = ( 0.6333333 0.1333333 0.5000000), wk = 0.0024752 k( 63) = ( 0.6666667 0.1666667 0.5000000), wk = 0.0024752 k( 64) = ( 0.7000000 0.2000000 0.5000000), wk = 0.0024752 k( 65) = ( 0.7333333 0.2333333 0.5000000), wk = 0.0024752 k( 66) = ( 0.7666667 0.2666667 0.5000000), wk = 0.0024752 k( 67) = ( 0.8000000 0.3000000 0.5000000), wk = 0.0024752 k( 68) = ( 0.8333333 0.3333333 0.5000000), wk = 0.0024752 k( 69) = ( 0.8666667 0.3666667 0.5000000), wk = 0.0024752 k( 70) = ( 0.9000000 0.4000000 0.5000000), wk = 0.0024752 k( 71) = ( 0.9333333 0.4333333 0.5000000), wk = 0.0024752 k( 72) = ( 0.9666667 0.4666667 0.5000000), wk = 0.0024752 k( 73) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0024752 k( 74) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0024752 k( 75) = ( 0.9910714 0.5000000 0.4910714), wk = 0.0024752 k( 76) = ( 0.9821429 0.5000000 0.4821429), wk = 0.0024752 k( 77) = ( 0.9732143 0.5000000 0.4732143), wk = 0.0024752 k( 78) = ( 0.9642857 0.5000000 0.4642857), wk = 0.0024752 k( 79) = ( 0.9553571 0.5000000 0.4553571), wk = 0.0024752 k( 80) = ( 0.9464286 0.5000000 0.4464286), wk = 0.0024752 k( 81) = ( 0.9375000 0.5000000 0.4375000), wk = 0.0024752 k( 82) = ( 0.9285714 0.5000000 0.4285714), wk = 0.0024752 k( 83) = ( 0.9196429 0.5000000 0.4196429), wk = 0.0024752 k( 84) = ( 0.9107143 0.5000000 0.4107143), wk = 0.0024752 k( 85) = ( 0.9017857 0.5000000 0.4017857), wk = 0.0024752 k( 86) = ( 0.8928571 0.5000000 0.3928571), wk = 0.0024752 k( 87) = ( 0.8839286 0.5000000 0.3839286), wk = 0.0024752 k( 88) = ( 0.8750000 0.5000000 0.3750000), wk = 0.0024752 k( 89) = ( 0.8660714 0.5000000 0.3660714), wk = 0.0024752 k( 90) = ( 0.8571429 0.5000000 0.3571429), wk = 0.0024752 k( 91) = ( 0.8482143 0.5000000 0.3482143), wk = 0.0024752 k( 92) = ( 0.8392857 0.5000000 0.3392857), wk = 0.0024752 k( 93) = ( 0.8303571 0.5000000 0.3303571), wk = 0.0024752 k( 94) = ( 0.8214286 0.5000000 0.3214286), wk = 0.0024752 k( 95) = ( 0.8125000 0.5000000 0.3125000), wk = 0.0024752 k( 96) = ( 0.8035714 0.5000000 0.3035714), wk = 0.0024752 k( 97) = ( 0.7946429 0.5000000 0.2946429), wk = 0.0024752 k( 98) = ( 0.7857143 0.5000000 0.2857143), wk = 0.0024752 k( 99) = ( 0.7767857 0.5000000 0.2767857), wk = 0.0024752 k( 100) = ( 0.7678571 0.5000000 0.2678571), wk = 0.0024752 k( 101) = ( 0.7589286 0.5000000 0.2589286), wk = 0.0024752 k( 102) = ( 0.7500000 0.5000000 0.2500000), wk = 0.0024752 k( 103) = ( 0.7410714 0.5000000 0.2410714), wk = 0.0024752 k( 104) = ( 0.7321429 0.5000000 0.2321429), wk = 0.0024752 k( 105) = ( 0.7232143 0.5000000 0.2232143), wk = 0.0024752 k( 106) = ( 0.7142857 0.5000000 0.2142857), wk = 0.0024752 k( 107) = ( 0.7053571 0.5000000 0.2053571), wk = 0.0024752 k( 108) = ( 0.6964286 0.5000000 0.1964286), wk = 0.0024752 k( 109) = ( 0.6875000 0.5000000 0.1875000), wk = 0.0024752 k( 110) = ( 0.6785714 0.5000000 0.1785714), wk = 0.0024752 k( 111) = ( 0.6696429 0.5000000 0.1696429), wk = 0.0024752 k( 112) = ( 0.6607143 0.5000000 0.1607143), wk = 0.0024752 k( 113) = ( 0.6517857 0.5000000 0.1517857), wk = 0.0024752 k( 114) = ( 0.6428571 0.5000000 0.1428571), wk = 0.0024752 k( 115) = ( 0.6339286 0.5000000 0.1339286), wk = 0.0024752 k( 116) = ( 0.6250000 0.5000000 0.1250000), wk = 0.0024752 k( 117) = ( 0.6160714 0.5000000 0.1160714), wk = 0.0024752 k( 118) = ( 0.6071429 0.5000000 0.1071429), wk = 0.0024752 k( 119) = ( 0.5982143 0.5000000 0.0982143), wk = 0.0024752 k( 120) = ( 0.5892857 0.5000000 0.0892857), wk = 0.0024752 k( 121) = ( 0.5803571 0.5000000 0.0803571), wk = 0.0024752 k( 122) = ( 0.5714286 0.5000000 0.0714286), wk = 0.0024752 k( 123) = ( 0.5625000 0.5000000 0.0625000), wk = 0.0024752 k( 124) = ( 0.5535714 0.5000000 0.0535714), wk = 0.0024752 k( 125) = ( 0.5446429 0.5000000 0.0446429), wk = 0.0024752 k( 126) = ( 0.5357143 0.5000000 0.0357143), wk = 0.0024752 k( 127) = ( 0.5267857 0.5000000 0.0267857), wk = 0.0024752 k( 128) = ( 0.5178571 0.5000000 0.0178571), wk = 0.0024752 k( 129) = ( 0.5089286 0.5000000 0.0089286), wk = 0.0024752 k( 130) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024752 k( 131) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024752 k( 132) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0024752 k( 133) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0024752 k( 134) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0024752 k( 135) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0024752 k( 136) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024752 k( 137) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0024752 k( 138) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0024752 k( 139) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0024752 k( 140) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0024752 k( 141) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0024752 k( 142) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0024752 k( 143) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0024752 k( 144) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0024752 k( 145) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0024752 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 148) = ( 0.0000000 0.0084788 0.0084788), wk = 0.0024752 k( 149) = ( 0.0000000 0.0169577 0.0169577), wk = 0.0024752 k( 150) = ( 0.0000000 0.0254365 0.0254365), wk = 0.0024752 k( 151) = ( 0.0000000 0.0339154 0.0339154), wk = 0.0024752 k( 152) = ( 0.0000000 0.0423942 0.0423942), wk = 0.0024752 k( 153) = ( 0.0000000 0.0508730 0.0508730), wk = 0.0024752 k( 154) = ( 0.0000000 0.0593519 0.0593519), wk = 0.0024752 k( 155) = ( 0.0000000 0.0678307 0.0678307), wk = 0.0024752 k( 156) = ( 0.0000000 0.0763096 0.0763096), wk = 0.0024752 k( 157) = ( 0.0000000 0.0847884 0.0847884), wk = 0.0024752 k( 158) = ( 0.0000000 0.0932672 0.0932672), wk = 0.0024752 k( 159) = ( 0.0000000 0.1017461 0.1017461), wk = 0.0024752 k( 160) = ( 0.0000000 0.1102249 0.1102249), wk = 0.0024752 k( 161) = ( 0.0000000 0.1187038 0.1187038), wk = 0.0024752 k( 162) = ( 0.0000000 0.1271826 0.1271826), wk = 0.0024752 k( 163) = ( 0.0000000 0.1356614 0.1356614), wk = 0.0024752 k( 164) = ( 0.0000000 0.1441403 0.1441403), wk = 0.0024752 k( 165) = ( 0.0000000 0.1526191 0.1526191), wk = 0.0024752 k( 166) = ( 0.0000000 0.1610980 0.1610980), wk = 0.0024752 k( 167) = ( 0.0000000 0.1695768 0.1695768), wk = 0.0024752 k( 168) = ( 0.0000000 0.1780556 0.1780556), wk = 0.0024752 k( 169) = ( 0.0000000 0.1865345 0.1865345), wk = 0.0024752 k( 170) = ( 0.0000000 0.1950133 0.1950133), wk = 0.0024752 k( 171) = ( 0.0000000 0.2034922 0.2034922), wk = 0.0024752 k( 172) = ( 0.0000000 0.2119710 0.2119710), wk = 0.0024752 k( 173) = ( 0.0000000 0.2204498 0.2204498), wk = 0.0024752 k( 174) = ( 0.0000000 0.2289287 0.2289287), wk = 0.0024752 k( 175) = ( 0.0000000 0.2374075 0.2374075), wk = 0.0024752 k( 176) = ( 0.0000000 0.2458864 0.2458864), wk = 0.0024752 k( 177) = ( 0.0000000 0.2543652 0.2543652), wk = 0.0024752 k( 178) = ( 0.0000000 0.2628440 0.2628440), wk = 0.0024752 k( 179) = ( 0.0000000 0.2713229 0.2713229), wk = 0.0024752 k( 180) = ( 0.0000000 0.2798017 0.2798017), wk = 0.0024752 k( 181) = ( 0.0000000 0.2882806 0.2882806), wk = 0.0024752 k( 182) = ( 0.0000000 0.2967594 0.2967594), wk = 0.0024752 k( 183) = ( 0.0000000 0.3052382 0.3052382), wk = 0.0024752 k( 184) = ( 0.0000000 0.3137171 0.3137171), wk = 0.0024752 k( 185) = ( 0.0000000 0.3221959 0.3221959), wk = 0.0024752 k( 186) = ( 0.0000000 0.3306748 0.3306748), wk = 0.0024752 k( 187) = ( 0.0000000 0.3391536 0.3391536), wk = 0.0024752 k( 188) = ( 0.0000000 0.3476324 0.3476324), wk = 0.0024752 k( 189) = ( 0.0000000 0.3561113 0.3561113), wk = 0.0024752 k( 190) = ( 0.0000000 0.3645901 0.3645901), wk = 0.0024752 k( 191) = ( 0.0000000 0.3730690 0.3730690), wk = 0.0024752 k( 192) = ( 0.0000000 0.3815478 0.3815478), wk = 0.0024752 k( 193) = ( 0.0000000 0.3900266 0.3900266), wk = 0.0024752 k( 194) = ( 0.0000000 0.3985055 0.3985055), wk = 0.0024752 k( 195) = ( 0.0000000 0.4069843 0.4069843), wk = 0.0024752 k( 196) = ( 0.0000000 0.4154632 0.4154632), wk = 0.0024752 k( 197) = ( 0.0000000 0.4239420 0.4239420), wk = 0.0024752 k( 198) = ( 0.0000000 0.4324208 0.4324208), wk = 0.0024752 k( 199) = ( 0.0000000 0.4408997 0.4408997), wk = 0.0024752 k( 200) = ( 0.0000000 0.4493785 0.4493785), wk = 0.0024752 k( 201) = ( 0.0000000 0.4578574 0.4578574), wk = 0.0024752 k( 202) = ( 0.0000000 0.4663362 0.4663362), wk = 0.0024752 k( 203) = ( 0.0000000 0.4748150 0.4748150), wk = 0.0024752 k( 204) = ( 0.0000000 0.4832939 0.4832939), wk = 0.0024752 k( 205) = ( 0.0000000 0.4917727 0.4917727), wk = 0.0024752 k( 206) = ( 0.0000000 0.4917727 0.4917727), wk = 0.0024752 k( 207) = ( 0.0064935 0.4858732 0.4923667), wk = 0.0024752 k( 208) = ( 0.0129870 0.4799737 0.4929608), wk = 0.0024752 k( 209) = ( 0.0194805 0.4740743 0.4935548), wk = 0.0024752 k( 210) = ( 0.0259740 0.4681748 0.4941488), wk = 0.0024752 k( 211) = ( 0.0324675 0.4622753 0.4947428), wk = 0.0024752 k( 212) = ( 0.0389610 0.4563758 0.4953368), wk = 0.0024752 k( 213) = ( 0.0454546 0.4504763 0.4959309), wk = 0.0024752 k( 214) = ( 0.0519481 0.4445768 0.4965249), wk = 0.0024752 k( 215) = ( 0.0584416 0.4386773 0.4971189), wk = 0.0024752 k( 216) = ( 0.0649351 0.4327779 0.4977129), wk = 0.0024752 k( 217) = ( 0.0714286 0.4268784 0.4983069), wk = 0.0024752 k( 218) = ( 0.0779221 0.4209789 0.4989010), wk = 0.0024752 k( 219) = ( 0.0844156 0.4150794 0.4994950), wk = 0.0024752 k( 220) = ( 0.0909091 0.4091799 0.5000890), wk = 0.0024752 k( 221) = ( 0.0974026 0.4032804 0.5006830), wk = 0.0024752 k( 222) = ( 0.1038961 0.3973809 0.5012770), wk = 0.0024752 k( 223) = ( 0.1103896 0.3914814 0.5018710), wk = 0.0024752 k( 224) = ( 0.1168831 0.3855820 0.5024651), wk = 0.0024752 k( 225) = ( 0.1233766 0.3796825 0.5030591), wk = 0.0024752 k( 226) = ( 0.1298701 0.3737830 0.5036531), wk = 0.0024752 k( 227) = ( 0.1363636 0.3678835 0.5042471), wk = 0.0024752 k( 228) = ( 0.1428571 0.3619840 0.5048411), wk = 0.0024752 k( 229) = ( 0.1493507 0.3560845 0.5054352), wk = 0.0024752 k( 230) = ( 0.1558442 0.3501850 0.5060292), wk = 0.0024752 k( 231) = ( 0.1623377 0.3442855 0.5066232), wk = 0.0024752 k( 232) = ( 0.1688312 0.3383861 0.5072172), wk = 0.0024752 k( 233) = ( 0.1753247 0.3324866 0.5078113), wk = 0.0024752 k( 234) = ( 0.1818182 0.3265871 0.5084053), wk = 0.0024752 k( 235) = ( 0.1883117 0.3206876 0.5089993), wk = 0.0024752 k( 236) = ( 0.1948052 0.3147881 0.5095933), wk = 0.0024752 k( 237) = ( 0.2012987 0.3088886 0.5101873), wk = 0.0024752 k( 238) = ( 0.2077922 0.3029891 0.5107814), wk = 0.0024752 k( 239) = ( 0.2142857 0.2970896 0.5113754), wk = 0.0024752 k( 240) = ( 0.2207792 0.2911902 0.5119694), wk = 0.0024752 k( 241) = ( 0.2272727 0.2852907 0.5125634), wk = 0.0024752 k( 242) = ( 0.2337662 0.2793912 0.5131574), wk = 0.0024752 k( 243) = ( 0.2402597 0.2734917 0.5137514), wk = 0.0024752 k( 244) = ( 0.2467533 0.2675922 0.5143455), wk = 0.0024752 k( 245) = ( 0.2532468 0.2616927 0.5149395), wk = 0.0024752 k( 246) = ( 0.2597403 0.2557933 0.5155335), wk = 0.0024752 k( 247) = ( 0.2662338 0.2498938 0.5161275), wk = 0.0024752 k( 248) = ( 0.2727273 0.2439943 0.5167215), wk = 0.0024752 k( 249) = ( 0.2792208 0.2380948 0.5173156), wk = 0.0024752 k( 250) = ( 0.2857143 0.2321953 0.5179096), wk = 0.0024752 k( 251) = ( 0.2922078 0.2262958 0.5185036), wk = 0.0024752 k( 252) = ( 0.2987013 0.2203963 0.5190976), wk = 0.0024752 k( 253) = ( 0.3051948 0.2144968 0.5196916), wk = 0.0024752 k( 254) = ( 0.3116883 0.2085974 0.5202857), wk = 0.0024752 k( 255) = ( 0.3181818 0.2026979 0.5208797), wk = 0.0024752 k( 256) = ( 0.3246753 0.1967984 0.5214737), wk = 0.0024752 k( 257) = ( 0.3311688 0.1908989 0.5220677), wk = 0.0024752 k( 258) = ( 0.3376623 0.1849994 0.5226617), wk = 0.0024752 k( 259) = ( 0.3441558 0.1790999 0.5232558), wk = 0.0024752 k( 260) = ( 0.3506494 0.1732004 0.5238498), wk = 0.0024752 k( 261) = ( 0.3571429 0.1673009 0.5244438), wk = 0.0024752 k( 262) = ( 0.3636364 0.1614015 0.5250378), wk = 0.0024752 k( 263) = ( 0.3701299 0.1555020 0.5256318), wk = 0.0024752 k( 264) = ( 0.3766234 0.1496025 0.5262259), wk = 0.0024752 k( 265) = ( 0.3831169 0.1437030 0.5268199), wk = 0.0024752 k( 266) = ( 0.3896104 0.1378035 0.5274139), wk = 0.0024752 k( 267) = ( 0.3961039 0.1319040 0.5280079), wk = 0.0024752 k( 268) = ( 0.4025974 0.1260045 0.5286019), wk = 0.0024752 k( 269) = ( 0.4090909 0.1201050 0.5291960), wk = 0.0024752 k( 270) = ( 0.4155844 0.1142056 0.5297900), wk = 0.0024752 k( 271) = ( 0.4220779 0.1083061 0.5303840), wk = 0.0024752 k( 272) = ( 0.4285714 0.1024066 0.5309780), wk = 0.0024752 k( 273) = ( 0.4350649 0.0965071 0.5315720), wk = 0.0024752 k( 274) = ( 0.4415584 0.0906076 0.5321661), wk = 0.0024752 k( 275) = ( 0.4480519 0.0847081 0.5327601), wk = 0.0024752 k( 276) = ( 0.4545455 0.0788086 0.5333541), wk = 0.0024752 k( 277) = ( 0.4610390 0.0729092 0.5339481), wk = 0.0024752 k( 278) = ( 0.4675325 0.0670097 0.5345421), wk = 0.0024752 k( 279) = ( 0.4740260 0.0611102 0.5351362), wk = 0.0024752 k( 280) = ( 0.4805195 0.0552107 0.5357302), wk = 0.0024752 k( 281) = ( 0.4870130 0.0493112 0.5363242), wk = 0.0024752 k( 282) = ( 0.4935065 0.0434117 0.5369182), wk = 0.0024752 k( 283) = ( 0.5000000 0.0375122 0.5375122), wk = 0.0024752 k( 284) = ( 0.5000000 0.0375122 0.5375122), wk = 0.0024752 k( 285) = ( 0.5000000 0.0300098 0.5300098), wk = 0.0024752 k( 286) = ( 0.5000000 0.0225073 0.5225073), wk = 0.0024752 k( 287) = ( 0.5000000 0.0150049 0.5150049), wk = 0.0024752 k( 288) = ( 0.5000000 0.0075024 0.5075025), wk = 0.0024752 k( 289) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024752 k( 290) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0024752 k( 291) = ( 1.0000000 0.5082273 0.5082273), wk = 0.0024752 k( 292) = ( 0.0000000 0.4917727 0.4917727), wk = 0.0024752 k( 293) = ( 0.0333333 0.5231537 0.4898204), wk = 0.0024752 k( 294) = ( 0.0666667 0.5545347 0.4878681), wk = 0.0024752 k( 295) = ( 0.1000000 0.5859157 0.4859157), wk = 0.0024752 k( 296) = ( 0.1333333 0.6172967 0.4839634), wk = 0.0024752 k( 297) = ( 0.1666667 0.6486777 0.4820111), wk = 0.0024752 k( 298) = ( 0.2000000 0.6800587 0.4800587), wk = 0.0024752 k( 299) = ( 0.2333333 0.7114397 0.4781064), wk = 0.0024752 k( 300) = ( 0.2666667 0.7428207 0.4761541), wk = 0.0024752 k( 301) = ( 0.3000000 0.7742018 0.4742017), wk = 0.0024752 k( 302) = ( 0.3333333 0.8055828 0.4722494), wk = 0.0024752 k( 303) = ( 0.3666667 0.8369638 0.4702971), wk = 0.0024752 k( 304) = ( 0.4000000 0.8683448 0.4683448), wk = 0.0024752 k( 305) = ( 0.4333333 0.8997258 0.4663924), wk = 0.0024752 k( 306) = ( 0.4666667 0.9311068 0.4644401), wk = 0.0024752 k( 307) = ( 0.5000000 0.9624878 0.4624878), wk = 0.0024752 k( 308) = ( 0.5000000 0.9624878 0.4624878), wk = 0.0024752 k( 309) = ( 0.5000000 0.9539232 0.4539232), wk = 0.0024752 k( 310) = ( 0.5000000 0.9453586 0.4453586), wk = 0.0024752 k( 311) = ( 0.5000000 0.9367940 0.4367940), wk = 0.0024752 k( 312) = ( 0.5000000 0.9282294 0.4282294), wk = 0.0024752 k( 313) = ( 0.5000000 0.9196648 0.4196648), wk = 0.0024752 k( 314) = ( 0.5000000 0.9111002 0.4111002), wk = 0.0024752 k( 315) = ( 0.5000000 0.9025357 0.4025357), wk = 0.0024752 k( 316) = ( 0.5000000 0.8939711 0.3939711), wk = 0.0024752 k( 317) = ( 0.5000000 0.8854065 0.3854065), wk = 0.0024752 k( 318) = ( 0.5000000 0.8768419 0.3768419), wk = 0.0024752 k( 319) = ( 0.5000000 0.8682773 0.3682773), wk = 0.0024752 k( 320) = ( 0.5000000 0.8597127 0.3597127), wk = 0.0024752 k( 321) = ( 0.5000000 0.8511481 0.3511481), wk = 0.0024752 k( 322) = ( 0.5000000 0.8425835 0.3425835), wk = 0.0024752 k( 323) = ( 0.5000000 0.8340189 0.3340189), wk = 0.0024752 k( 324) = ( 0.5000000 0.8254544 0.3254544), wk = 0.0024752 k( 325) = ( 0.5000000 0.8168898 0.3168898), wk = 0.0024752 k( 326) = ( 0.5000000 0.8083252 0.3083252), wk = 0.0024752 k( 327) = ( 0.5000000 0.7997606 0.2997606), wk = 0.0024752 k( 328) = ( 0.5000000 0.7911960 0.2911960), wk = 0.0024752 k( 329) = ( 0.5000000 0.7826314 0.2826314), wk = 0.0024752 k( 330) = ( 0.5000000 0.7740668 0.2740668), wk = 0.0024752 k( 331) = ( 0.5000000 0.7655022 0.2655022), wk = 0.0024752 k( 332) = ( 0.5000000 0.7569377 0.2569377), wk = 0.0024752 k( 333) = ( 0.5000000 0.7483731 0.2483731), wk = 0.0024752 k( 334) = ( 0.5000000 0.7398085 0.2398085), wk = 0.0024752 k( 335) = ( 0.5000000 0.7312439 0.2312439), wk = 0.0024752 k( 336) = ( 0.5000000 0.7226793 0.2226793), wk = 0.0024752 k( 337) = ( 0.5000000 0.7141147 0.2141147), wk = 0.0024752 k( 338) = ( 0.5000000 0.7055501 0.2055501), wk = 0.0024752 k( 339) = ( 0.5000000 0.6969855 0.1969855), wk = 0.0024752 k( 340) = ( 0.5000000 0.6884209 0.1884209), wk = 0.0024752 k( 341) = ( 0.5000000 0.6798563 0.1798563), wk = 0.0024752 k( 342) = ( 0.5000000 0.6712918 0.1712918), wk = 0.0024752 k( 343) = ( 0.5000000 0.6627272 0.1627272), wk = 0.0024752 k( 344) = ( 0.5000000 0.6541626 0.1541626), wk = 0.0024752 k( 345) = ( 0.5000000 0.6455980 0.1455980), wk = 0.0024752 k( 346) = ( 0.5000000 0.6370334 0.1370334), wk = 0.0024752 k( 347) = ( 0.5000000 0.6284688 0.1284688), wk = 0.0024752 k( 348) = ( 0.5000000 0.6199042 0.1199042), wk = 0.0024752 k( 349) = ( 0.5000000 0.6113397 0.1113397), wk = 0.0024752 k( 350) = ( 0.5000000 0.6027751 0.1027751), wk = 0.0024752 k( 351) = ( 0.5000000 0.5942105 0.0942105), wk = 0.0024752 k( 352) = ( 0.5000000 0.5856459 0.0856459), wk = 0.0024752 k( 353) = ( 0.5000000 0.5770813 0.0770813), wk = 0.0024752 k( 354) = ( 0.5000000 0.5685167 0.0685167), wk = 0.0024752 k( 355) = ( 0.5000000 0.5599521 0.0599521), wk = 0.0024752 k( 356) = ( 0.5000000 0.5513875 0.0513875), wk = 0.0024752 k( 357) = ( 0.5000000 0.5428229 0.0428229), wk = 0.0024752 k( 358) = ( 0.5000000 0.5342583 0.0342583), wk = 0.0024752 k( 359) = ( 0.5000000 0.5256938 0.0256938), wk = 0.0024752 k( 360) = ( 0.5000000 0.5171292 0.0171292), wk = 0.0024752 k( 361) = ( 0.5000000 0.5085646 0.0085646), wk = 0.0024752 k( 362) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024752 k( 363) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024752 k( 364) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0024752 k( 365) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0024752 k( 366) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0024752 k( 367) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0024752 k( 368) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0024752 k( 369) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0024752 k( 370) = ( 0.4146341 0.4146341 0.4146341), wk = 0.0024752 k( 371) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0024752 k( 372) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0024752 k( 373) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0024752 k( 374) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0024752 k( 375) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0024752 k( 376) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0024752 k( 377) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0024752 k( 378) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0024752 k( 379) = ( 0.3048781 0.3048781 0.3048781), wk = 0.0024752 k( 380) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0024752 k( 381) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0024752 k( 382) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0024752 k( 383) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0024752 k( 384) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0024752 k( 385) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0024752 k( 386) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0024752 k( 387) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0024752 k( 388) = ( 0.1951219 0.1951220 0.1951219), wk = 0.0024752 k( 389) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0024752 k( 390) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0024752 k( 391) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0024752 k( 392) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0024752 k( 393) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0024752 k( 394) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0024752 k( 395) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0024752 k( 396) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0024752 k( 397) = ( 0.0853658 0.0853658 0.0853658), wk = 0.0024752 k( 398) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0024752 k( 399) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0024752 k( 400) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0024752 k( 401) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0024752 k( 402) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0024752 k( 403) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0024752 k( 404) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 Dense grid: 80243 G-vectors FFT dimensions: ( 120, 120, 40) Smooth grid: 39237 G-vectors FFT dimensions: ( 90, 90, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 212, 42) NL pseudopotentials 0.22 Mb ( 106, 136) Each V/rho on FFT grid 0.22 Mb ( 14400) Each G-vector array 0.01 Mb ( 1673) G-vector shells 0.01 Mb ( 1547) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.54 Mb ( 212, 168) Each subspace H/S matrix 0.43 Mb ( 168, 168) Each matrix 0.17 Mb ( 136, 2, 42) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./YS.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.0 secs Computing kpt #: 2 total cpu time spent up to now is 45.4 secs Computing kpt #: 3 total cpu time spent up to now is 47.3 secs Computing kpt #: 4 total cpu time spent up to now is 49.7 secs Computing kpt #: 5 total cpu time spent up to now is 52.6 secs Computing kpt #: 6 total cpu time spent up to now is 56.8 secs Computing kpt #: 7 total cpu time spent up to now is 59.4 secs Computing kpt #: 8 total cpu time spent up to now is 61.6 secs Computing kpt #: 9 total cpu time spent up to now is 63.7 secs Computing kpt #: 10 total cpu time spent up to now is 65.4 secs Computing kpt #: 11 total cpu time spent up to now is 67.3 secs Computing kpt #: 12 total cpu time spent up to now is 69.1 secs Computing kpt #: 13 total cpu time spent up to now is 70.9 secs Computing kpt #: 14 total cpu time spent up to now is 72.7 secs Computing kpt #: 15 total cpu time spent up to now is 74.6 secs Computing kpt #: 16 total cpu time spent up to now is 76.4 secs Computing kpt #: 17 total cpu time spent up to now is 78.3 secs Computing kpt #: 18 total cpu time spent up to now is 80.6 secs Computing kpt #: 19 total cpu time spent up to now is 82.9 secs Computing kpt #: 20 total cpu time spent up to now is 85.8 secs Computing kpt #: 21 total cpu time spent up to now is 89.1 secs Computing kpt #: 22 total cpu time spent up to now is 92.0 secs Computing kpt #: 23 total cpu time spent up to now is 94.9 secs Computing kpt #: 24 total cpu time spent up to now is 97.7 secs Computing kpt #: 25 total cpu time spent up to now is 100.5 secs Computing kpt #: 26 total cpu time spent up to now is 103.4 secs Computing kpt #: 27 total cpu time spent up to now is 106.4 secs Computing kpt #: 28 total cpu time spent up to now is 110.2 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 114.4 secs Computing kpt #: 30 total cpu time spent up to now is 118.3 secs Computing kpt #: 31 total cpu time spent up to now is 121.3 secs Computing kpt #: 32 total cpu time spent up to now is 124.1 secs Computing kpt #: 33 total cpu time spent up to now is 126.4 secs Computing kpt #: 34 total cpu time spent up to now is 128.5 secs Computing kpt #: 35 total cpu time spent up to now is 130.3 secs Computing kpt #: 36 total cpu time spent up to now is 132.1 secs Computing kpt #: 37 total cpu time spent up to now is 134.0 secs Computing kpt #: 38 total cpu time spent up to now is 135.8 secs Computing kpt #: 39 total cpu time spent up to now is 137.7 secs Computing kpt #: 40 total cpu time spent up to now is 139.5 secs Computing kpt #: 41 total cpu time spent up to now is 141.3 secs Computing kpt #: 42 total cpu time spent up to now is 143.1 secs Computing kpt #: 43 total cpu time spent up to now is 144.8 secs Computing kpt #: 44 total cpu time spent up to now is 146.6 secs Computing kpt #: 45 total cpu time spent up to now is 148.4 secs Computing kpt #: 46 total cpu time spent up to now is 150.2 secs Computing kpt #: 47 total cpu time spent up to now is 152.0 secs Computing kpt #: 48 total cpu time spent up to now is 153.7 secs Computing kpt #: 49 total cpu time spent up to now is 155.5 secs Computing kpt #: 50 total cpu time spent up to now is 157.4 secs Computing kpt #: 51 total cpu time spent up to now is 159.3 secs Computing kpt #: 52 total cpu time spent up to now is 161.3 secs Computing kpt #: 53 total cpu time spent up to now is 163.1 secs Computing kpt #: 54 total cpu time spent up to now is 165.0 secs Computing kpt #: 55 total cpu time spent up to now is 167.0 secs Computing kpt #: 56 total cpu time spent up to now is 168.8 secs Computing kpt #: 57 total cpu time spent up to now is 170.7 secs Computing kpt #: 58 total cpu time spent up to now is 172.6 secs Computing kpt #: 59 total cpu time spent up to now is 174.5 secs Computing kpt #: 60 total cpu time spent up to now is 176.3 secs Computing kpt #: 61 total cpu time spent up to now is 178.2 secs Computing kpt #: 62 total cpu time spent up to now is 180.1 secs Computing kpt #: 63 total cpu time spent up to now is 182.1 secs Computing kpt #: 64 total cpu time spent up to now is 184.0 secs Computing kpt #: 65 total cpu time spent up to now is 185.8 secs Computing kpt #: 66 total cpu time spent up to now is 187.8 secs Computing kpt #: 67 total cpu time spent up to now is 190.0 secs Computing kpt #: 68 total cpu time spent up to now is 192.1 secs Computing kpt #: 69 total cpu time spent up to now is 194.4 secs Computing kpt #: 70 total cpu time spent up to now is 196.7 secs Computing kpt #: 71 total cpu time spent up to now is 199.1 secs Computing kpt #: 72 total cpu time spent up to now is 201.9 secs Computing kpt #: 73 total cpu time spent up to now is 205.7 secs Computing kpt #: 74 total cpu time spent up to now is 208.9 secs Computing kpt #: 75 total cpu time spent up to now is 212.2 secs Computing kpt #: 76 total cpu time spent up to now is 215.5 secs Computing kpt #: 77 total cpu time spent up to now is 218.3 secs Computing kpt #: 78 total cpu time spent up to now is 221.2 secs Computing kpt #: 79 total cpu time spent up to now is 224.0 secs Computing kpt #: 80 total cpu time spent up to now is 226.7 secs Computing kpt #: 81 total cpu time spent up to now is 229.2 secs Computing kpt #: 82 total cpu time spent up to now is 231.6 secs Computing kpt #: 83 total cpu time spent up to now is 234.2 secs Computing kpt #: 84 total cpu time spent up to now is 236.9 secs Computing kpt #: 85 total cpu time spent up to now is 239.5 secs Computing kpt #: 86 total cpu time spent up to now is 242.3 secs Computing kpt #: 87 total cpu time spent up to now is 244.9 secs Computing kpt #: 88 total cpu time spent up to now is 247.7 secs Computing kpt #: 89 total cpu time spent up to now is 250.5 secs Computing kpt #: 90 total cpu time spent up to now is 253.4 secs Computing kpt #: 91 total cpu time spent up to now is 256.7 secs Computing kpt #: 92 total cpu time spent up to now is 259.6 secs Computing kpt #: 93 total cpu time spent up to now is 262.4 secs Computing kpt #: 94 total cpu time spent up to now is 264.8 secs Computing kpt #: 95 total cpu time spent up to now is 266.7 secs Computing kpt #: 96 total cpu time spent up to now is 268.6 secs Computing kpt #: 97 total cpu time spent up to now is 270.6 secs Computing kpt #: 98 total cpu time spent up to now is 272.6 secs Computing kpt #: 99 total cpu time spent up to now is 274.5 secs Computing kpt #: 100 total cpu time spent up to now is 276.3 secs Computing kpt #: 101 total cpu time spent up to now is 278.2 secs Computing kpt #: 102 total cpu time spent up to now is 280.3 secs Computing kpt #: 103 total cpu time spent up to now is 283.1 secs Computing kpt #: 104 total cpu time spent up to now is 286.0 secs Computing kpt #: 105 total cpu time spent up to now is 289.3 secs Computing kpt #: 106 total cpu time spent up to now is 292.2 secs Computing kpt #: 107 total cpu time spent up to now is 294.3 secs Computing kpt #: 108 total cpu time spent up to now is 297.2 secs Computing kpt #: 109 total cpu time spent up to now is 299.5 secs Computing kpt #: 110 total cpu time spent up to now is 302.4 secs Computing kpt #: 111 total cpu time spent up to now is 304.3 secs Computing kpt #: 112 total cpu time spent up to now is 306.4 secs Computing kpt #: 113 total cpu time spent up to now is 308.2 secs Computing kpt #: 114 total cpu time spent up to now is 310.1 secs Computing kpt #: 115 total cpu time spent up to now is 311.9 secs Computing kpt #: 116 total cpu time spent up to now is 313.8 secs Computing kpt #: 117 total cpu time spent up to now is 315.6 secs Computing kpt #: 118 total cpu time spent up to now is 317.5 secs Computing kpt #: 119 total cpu time spent up to now is 319.4 secs Computing kpt #: 120 total cpu time spent up to now is 321.3 secs Computing kpt #: 121 total cpu time spent up to now is 323.1 secs Computing kpt #: 122 total cpu time spent up to now is 325.0 secs Computing kpt #: 123 total cpu time spent up to now is 327.1 secs Computing kpt #: 124 total cpu time spent up to now is 329.4 secs Computing kpt #: 125 total cpu time spent up to now is 332.8 secs Computing kpt #: 126 total cpu time spent up to now is 335.8 secs Computing kpt #: 127 total cpu time spent up to now is 338.3 secs Computing kpt #: 128 total cpu time spent up to now is 340.5 secs Computing kpt #: 129 total cpu time spent up to now is 342.5 secs Computing kpt #: 130 total cpu time spent up to now is 344.3 secs Computing kpt #: 131 total cpu time spent up to now is 346.3 secs Computing kpt #: 132 total cpu time spent up to now is 348.3 secs Computing kpt #: 133 total cpu time spent up to now is 350.2 secs Computing kpt #: 134 total cpu time spent up to now is 352.1 secs Computing kpt #: 135 total cpu time spent up to now is 354.0 secs Computing kpt #: 136 total cpu time spent up to now is 355.9 secs Computing kpt #: 137 total cpu time spent up to now is 357.8 secs Computing kpt #: 138 total cpu time spent up to now is 359.7 secs Computing kpt #: 139 total cpu time spent up to now is 361.6 secs Computing kpt #: 140 total cpu time spent up to now is 363.5 secs Computing kpt #: 141 total cpu time spent up to now is 365.4 secs Computing kpt #: 142 total cpu time spent up to now is 367.4 secs Computing kpt #: 143 total cpu time spent up to now is 369.3 secs Computing kpt #: 144 total cpu time spent up to now is 371.2 secs Computing kpt #: 145 total cpu time spent up to now is 373.2 secs Computing kpt #: 146 total cpu time spent up to now is 375.2 secs Computing kpt #: 147 total cpu time spent up to now is 377.0 secs Computing kpt #: 148 total cpu time spent up to now is 379.0 secs Computing kpt #: 149 total cpu time spent up to now is 381.1 secs Computing kpt #: 150 total cpu time spent up to now is 383.1 secs Computing kpt #: 151 total cpu time spent up to now is 385.5 secs Computing kpt #: 152 total cpu time spent up to now is 388.2 secs Computing kpt #: 153 total cpu time spent up to now is 391.8 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 396.0 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 400.1 secs Computing kpt #: 156 total cpu time spent up to now is 402.6 secs Computing kpt #: 157 total cpu time spent up to now is 404.9 secs Computing kpt #: 158 total cpu time spent up to now is 407.0 secs Computing kpt #: 159 total cpu time spent up to now is 409.1 secs Computing kpt #: 160 total cpu time spent up to now is 411.2 secs Computing kpt #: 161 total cpu time spent up to now is 413.2 secs Computing kpt #: 162 total cpu time spent up to now is 415.1 secs Computing kpt #: 163 total cpu time spent up to now is 417.2 secs Computing kpt #: 164 total cpu time spent up to now is 419.4 secs Computing kpt #: 165 total cpu time spent up to now is 421.8 secs Computing kpt #: 166 total cpu time spent up to now is 424.7 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 428.7 secs Computing kpt #: 168 total cpu time spent up to now is 431.7 secs Computing kpt #: 169 total cpu time spent up to now is 434.6 secs Computing kpt #: 170 total cpu time spent up to now is 437.2 secs Computing kpt #: 171 total cpu time spent up to now is 440.1 secs Computing kpt #: 172 total cpu time spent up to now is 442.9 secs Computing kpt #: 173 total cpu time spent up to now is 445.8 secs Computing kpt #: 174 total cpu time spent up to now is 448.3 secs Computing kpt #: 175 total cpu time spent up to now is 450.8 secs Computing kpt #: 176 total cpu time spent up to now is 453.1 secs Computing kpt #: 177 total cpu time spent up to now is 455.5 secs Computing kpt #: 178 total cpu time spent up to now is 458.1 secs Computing kpt #: 179 total cpu time spent up to now is 460.6 secs Computing kpt #: 180 total cpu time spent up to now is 463.4 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 467.5 secs Computing kpt #: 182 total cpu time spent up to now is 470.4 secs Computing kpt #: 183 total cpu time spent up to now is 472.7 secs Computing kpt #: 184 total cpu time spent up to now is 475.1 secs Computing kpt #: 185 total cpu time spent up to now is 477.4 secs Computing kpt #: 186 total cpu time spent up to now is 479.5 secs Computing kpt #: 187 total cpu time spent up to now is 481.5 secs Computing kpt #: 188 total cpu time spent up to now is 483.5 secs Computing kpt #: 189 total cpu time spent up to now is 485.5 secs Computing kpt #: 190 total cpu time spent up to now is 487.5 secs Computing kpt #: 191 total cpu time spent up to now is 489.4 secs Computing kpt #: 192 total cpu time spent up to now is 491.3 secs Computing kpt #: 193 total cpu time spent up to now is 493.6 secs Computing kpt #: 194 total cpu time spent up to now is 495.8 secs Computing kpt #: 195 total cpu time spent up to now is 498.1 secs Computing kpt #: 196 total cpu time spent up to now is 500.4 secs Computing kpt #: 197 total cpu time spent up to now is 502.3 secs Computing kpt #: 198 total cpu time spent up to now is 504.6 secs Computing kpt #: 199 total cpu time spent up to now is 506.9 secs Computing kpt #: 200 total cpu time spent up to now is 509.2 secs Computing kpt #: 201 total cpu time spent up to now is 512.5 secs Computing kpt #: 202 total cpu time spent up to now is 515.4 secs Computing kpt #: 203 total cpu time spent up to now is 518.3 secs Computing kpt #: 204 total cpu time spent up to now is 521.7 secs Computing kpt #: 205 total cpu time spent up to now is 525.1 secs Computing kpt #: 206 total cpu time spent up to now is 528.5 secs Computing kpt #: 207 total cpu time spent up to now is 531.5 secs Computing kpt #: 208 total cpu time spent up to now is 534.8 secs Computing kpt #: 209 total cpu time spent up to now is 538.1 secs Computing kpt #: 210 total cpu time spent up to now is 541.1 secs Computing kpt #: 211 total cpu time spent up to now is 543.6 secs Computing kpt #: 212 total cpu time spent up to now is 546.0 secs Computing kpt #: 213 total cpu time spent up to now is 548.4 secs Computing kpt #: 214 total cpu time spent up to now is 550.7 secs Computing kpt #: 215 total cpu time spent up to now is 553.1 secs Computing kpt #: 216 total cpu time spent up to now is 555.4 secs Computing kpt #: 217 total cpu time spent up to now is 557.6 secs Computing kpt #: 218 total cpu time spent up to now is 560.0 secs Computing kpt #: 219 total cpu time spent up to now is 561.8 secs Computing kpt #: 220 total cpu time spent up to now is 563.7 secs Computing kpt #: 221 total cpu time spent up to now is 565.6 secs Computing kpt #: 222 total cpu time spent up to now is 567.6 secs Computing kpt #: 223 total cpu time spent up to now is 569.6 secs Computing kpt #: 224 total cpu time spent up to now is 571.5 secs Computing kpt #: 225 total cpu time spent up to now is 573.5 secs Computing kpt #: 226 total cpu time spent up to now is 575.4 secs Computing kpt #: 227 total cpu time spent up to now is 577.3 secs Computing kpt #: 228 total cpu time spent up to now is 579.2 secs Computing kpt #: 229 total cpu time spent up to now is 581.1 secs Computing kpt #: 230 total cpu time spent up to now is 583.1 secs Computing kpt #: 231 total cpu time spent up to now is 584.9 secs Computing kpt #: 232 total cpu time spent up to now is 586.8 secs Computing kpt #: 233 total cpu time spent up to now is 589.0 secs Computing kpt #: 234 total cpu time spent up to now is 591.0 secs Computing kpt #: 235 total cpu time spent up to now is 593.0 secs Computing kpt #: 236 total cpu time spent up to now is 595.2 secs Computing kpt #: 237 total cpu time spent up to now is 597.1 secs Computing kpt #: 238 total cpu time spent up to now is 599.3 secs Computing kpt #: 239 total cpu time spent up to now is 601.4 secs Computing kpt #: 240 total cpu time spent up to now is 603.3 secs Computing kpt #: 241 total cpu time spent up to now is 605.3 secs Computing kpt #: 242 total cpu time spent up to now is 607.4 secs Computing kpt #: 243 total cpu time spent up to now is 609.5 secs Computing kpt #: 244 total cpu time spent up to now is 611.7 secs Computing kpt #: 245 total cpu time spent up to now is 614.0 secs Computing kpt #: 246 total cpu time spent up to now is 616.3 secs Computing kpt #: 247 total cpu time spent up to now is 618.6 secs Computing kpt #: 248 total cpu time spent up to now is 620.8 secs Computing kpt #: 249 total cpu time spent up to now is 623.0 secs Computing kpt #: 250 total cpu time spent up to now is 625.0 secs Computing kpt #: 251 total cpu time spent up to now is 627.0 secs Computing kpt #: 252 total cpu time spent up to now is 629.0 secs Computing kpt #: 253 total cpu time spent up to now is 631.0 secs Computing kpt #: 254 total cpu time spent up to now is 632.9 secs Computing kpt #: 255 total cpu time spent up to now is 634.8 secs Computing kpt #: 256 total cpu time spent up to now is 636.7 secs Computing kpt #: 257 total cpu time spent up to now is 638.6 secs Computing kpt #: 258 total cpu time spent up to now is 640.5 secs Computing kpt #: 259 total cpu time spent up to now is 642.3 secs Computing kpt #: 260 total cpu time spent up to now is 644.1 secs Computing kpt #: 261 total cpu time spent up to now is 645.9 secs Computing kpt #: 262 total cpu time spent up to now is 647.7 secs Computing kpt #: 263 total cpu time spent up to now is 649.6 secs Computing kpt #: 264 total cpu time spent up to now is 651.5 secs Computing kpt #: 265 total cpu time spent up to now is 653.3 secs Computing kpt #: 266 total cpu time spent up to now is 655.2 secs Computing kpt #: 267 total cpu time spent up to now is 657.0 secs Computing kpt #: 268 total cpu time spent up to now is 658.9 secs Computing kpt #: 269 total cpu time spent up to now is 660.9 secs Computing kpt #: 270 total cpu time spent up to now is 662.8 secs Computing kpt #: 271 total cpu time spent up to now is 664.7 secs Computing kpt #: 272 total cpu time spent up to now is 666.6 secs Computing kpt #: 273 total cpu time spent up to now is 668.5 secs Computing kpt #: 274 total cpu time spent up to now is 670.4 secs Computing kpt #: 275 total cpu time spent up to now is 672.2 secs Computing kpt #: 276 total cpu time spent up to now is 674.1 secs Computing kpt #: 277 total cpu time spent up to now is 675.9 secs Computing kpt #: 278 total cpu time spent up to now is 677.8 secs Computing kpt #: 279 total cpu time spent up to now is 679.8 secs Computing kpt #: 280 total cpu time spent up to now is 681.6 secs Computing kpt #: 281 total cpu time spent up to now is 683.6 secs Computing kpt #: 282 total cpu time spent up to now is 685.6 secs Computing kpt #: 283 total cpu time spent up to now is 687.6 secs Computing kpt #: 284 total cpu time spent up to now is 689.5 secs Computing kpt #: 285 total cpu time spent up to now is 691.5 secs Computing kpt #: 286 total cpu time spent up to now is 693.4 secs Computing kpt #: 287 total cpu time spent up to now is 695.2 secs Computing kpt #: 288 total cpu time spent up to now is 697.2 secs Computing kpt #: 289 total cpu time spent up to now is 699.2 secs Computing kpt #: 290 total cpu time spent up to now is 702.0 secs Computing kpt #: 291 total cpu time spent up to now is 705.3 secs Computing kpt #: 292 total cpu time spent up to now is 708.7 secs Computing kpt #: 293 total cpu time spent up to now is 712.0 secs Computing kpt #: 294 total cpu time spent up to now is 714.4 secs Computing kpt #: 295 total cpu time spent up to now is 716.8 secs Computing kpt #: 296 total cpu time spent up to now is 719.1 secs Computing kpt #: 297 total cpu time spent up to now is 721.4 secs Computing kpt #: 298 total cpu time spent up to now is 723.7 secs Computing kpt #: 299 total cpu time spent up to now is 725.6 secs Computing kpt #: 300 total cpu time spent up to now is 727.5 secs Computing kpt #: 301 total cpu time spent up to now is 729.3 secs Computing kpt #: 302 total cpu time spent up to now is 731.2 secs Computing kpt #: 303 total cpu time spent up to now is 733.1 secs Computing kpt #: 304 total cpu time spent up to now is 735.1 secs Computing kpt #: 305 total cpu time spent up to now is 736.9 secs Computing kpt #: 306 total cpu time spent up to now is 739.1 secs Computing kpt #: 307 total cpu time spent up to now is 741.0 secs Computing kpt #: 308 total cpu time spent up to now is 742.9 secs Computing kpt #: 309 total cpu time spent up to now is 745.0 secs Computing kpt #: 310 total cpu time spent up to now is 746.9 secs Computing kpt #: 311 total cpu time spent up to now is 748.8 secs Computing kpt #: 312 total cpu time spent up to now is 750.7 secs Computing kpt #: 313 total cpu time spent up to now is 753.0 secs Computing kpt #: 314 total cpu time spent up to now is 755.0 secs Computing kpt #: 315 total cpu time spent up to now is 757.3 secs Computing kpt #: 316 total cpu time spent up to now is 759.7 secs Computing kpt #: 317 total cpu time spent up to now is 761.5 secs Computing kpt #: 318 total cpu time spent up to now is 763.8 secs Computing kpt #: 319 total cpu time spent up to now is 765.8 secs Computing kpt #: 320 total cpu time spent up to now is 767.9 secs Computing kpt #: 321 total cpu time spent up to now is 769.9 secs Computing kpt #: 322 total cpu time spent up to now is 771.8 secs Computing kpt #: 323 total cpu time spent up to now is 773.6 secs Computing kpt #: 324 total cpu time spent up to now is 775.5 secs Computing kpt #: 325 total cpu time spent up to now is 777.3 secs Computing kpt #: 326 total cpu time spent up to now is 779.1 secs Computing kpt #: 327 total cpu time spent up to now is 781.0 secs Computing kpt #: 328 total cpu time spent up to now is 782.8 secs Computing kpt #: 329 total cpu time spent up to now is 784.6 secs Computing kpt #: 330 total cpu time spent up to now is 786.5 secs Computing kpt #: 331 total cpu time spent up to now is 788.4 secs Computing kpt #: 332 total cpu time spent up to now is 790.6 secs Computing kpt #: 333 total cpu time spent up to now is 792.6 secs Computing kpt #: 334 total cpu time spent up to now is 795.0 secs Computing kpt #: 335 total cpu time spent up to now is 797.7 secs Computing kpt #: 336 total cpu time spent up to now is 800.6 secs Computing kpt #: 337 total cpu time spent up to now is 803.9 secs Computing kpt #: 338 total cpu time spent up to now is 806.7 secs Computing kpt #: 339 total cpu time spent up to now is 809.0 secs Computing kpt #: 340 total cpu time spent up to now is 811.5 secs Computing kpt #: 341 total cpu time spent up to now is 814.1 secs Computing kpt #: 342 total cpu time spent up to now is 816.9 secs Computing kpt #: 343 total cpu time spent up to now is 819.9 secs Computing kpt #: 344 total cpu time spent up to now is 821.9 secs Computing kpt #: 345 total cpu time spent up to now is 824.2 secs Computing kpt #: 346 total cpu time spent up to now is 826.2 secs Computing kpt #: 347 total cpu time spent up to now is 828.1 secs Computing kpt #: 348 total cpu time spent up to now is 830.2 secs Computing kpt #: 349 total cpu time spent up to now is 832.2 secs Computing kpt #: 350 total cpu time spent up to now is 834.2 secs Computing kpt #: 351 total cpu time spent up to now is 836.3 secs Computing kpt #: 352 total cpu time spent up to now is 838.4 secs Computing kpt #: 353 total cpu time spent up to now is 840.9 secs Computing kpt #: 354 total cpu time spent up to now is 844.2 secs Computing kpt #: 355 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 848.4 secs Computing kpt #: 356 total cpu time spent up to now is 852.1 secs Computing kpt #: 357 total cpu time spent up to now is 855.2 secs Computing kpt #: 358 total cpu time spent up to now is 857.7 secs Computing kpt #: 359 total cpu time spent up to now is 860.0 secs Computing kpt #: 360 total cpu time spent up to now is 862.0 secs Computing kpt #: 361 total cpu time spent up to now is 864.0 secs Computing kpt #: 362 total cpu time spent up to now is 866.1 secs Computing kpt #: 363 total cpu time spent up to now is 869.0 secs Computing kpt #: 364 total cpu time spent up to now is 871.6 secs Computing kpt #: 365 total cpu time spent up to now is 873.7 secs Computing kpt #: 366 total cpu time spent up to now is 875.6 secs Computing kpt #: 367 total cpu time spent up to now is 877.9 secs Computing kpt #: 368 total cpu time spent up to now is 879.8 secs Computing kpt #: 369 total cpu time spent up to now is 881.8 secs Computing kpt #: 370 total cpu time spent up to now is 883.8 secs Computing kpt #: 371 total cpu time spent up to now is 885.8 secs Computing kpt #: 372 total cpu time spent up to now is 887.7 secs Computing kpt #: 373 total cpu time spent up to now is 889.7 secs Computing kpt #: 374 total cpu time spent up to now is 891.8 secs Computing kpt #: 375 total cpu time spent up to now is 893.7 secs Computing kpt #: 376 total cpu time spent up to now is 895.7 secs Computing kpt #: 377 total cpu time spent up to now is 897.6 secs Computing kpt #: 378 total cpu time spent up to now is 899.6 secs Computing kpt #: 379 total cpu time spent up to now is 901.7 secs Computing kpt #: 380 total cpu time spent up to now is 903.7 secs Computing kpt #: 381 total cpu time spent up to now is 905.8 secs Computing kpt #: 382 total cpu time spent up to now is 907.9 secs Computing kpt #: 383 total cpu time spent up to now is 910.0 secs Computing kpt #: 384 total cpu time spent up to now is 912.0 secs Computing kpt #: 385 total cpu time spent up to now is 913.9 secs Computing kpt #: 386 total cpu time spent up to now is 916.1 secs Computing kpt #: 387 total cpu time spent up to now is 918.6 secs Computing kpt #: 388 total cpu time spent up to now is 921.0 secs Computing kpt #: 389 total cpu time spent up to now is 923.5 secs Computing kpt #: 390 total cpu time spent up to now is 925.9 secs Computing kpt #: 391 total cpu time spent up to now is 928.3 secs Computing kpt #: 392 total cpu time spent up to now is 930.7 secs Computing kpt #: 393 total cpu time spent up to now is 933.1 secs Computing kpt #: 394 total cpu time spent up to now is 935.0 secs Computing kpt #: 395 total cpu time spent up to now is 937.0 secs Computing kpt #: 396 total cpu time spent up to now is 939.1 secs Computing kpt #: 397 total cpu time spent up to now is 941.9 secs Computing kpt #: 398 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 946.0 secs Computing kpt #: 399 total cpu time spent up to now is 949.3 secs Computing kpt #: 400 total cpu time spent up to now is 951.8 secs Computing kpt #: 401 total cpu time spent up to now is 954.1 secs Computing kpt #: 402 total cpu time spent up to now is 956.1 secs Computing kpt #: 403 total cpu time spent up to now is 958.0 secs Computing kpt #: 404 total cpu time spent up to now is 959.8 secs ethr = 2.94E-11, avg # of iterations = 43.7 total cpu time spent up to now is 960.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4915 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6706 -0.6706 0.4486 0.4486 0.6398 0.6398 0.7215 0.7215 1.6939 1.6939 1.7784 1.7784 3.2483 3.2483 3.9722 3.9722 4.0462 4.0462 5.5596 5.5596 5.8859 5.8859 k = 0.0089-0.0251 0.0247 ( 4907 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2465 -20.2465 -20.2075 -20.2075 -18.8729 -18.8729 -18.8032 -18.8032 -18.7332 -18.7332 -18.7132 -18.7131 -9.7444 -9.7444 -9.0810 -9.0810 -0.6699 -0.6699 0.4457 0.4457 0.6108 0.6108 0.7489 0.7489 1.6881 1.6881 1.7741 1.7741 3.2526 3.2526 3.9763 3.9763 4.0480 4.0480 5.5596 5.5596 5.8938 5.8938 k = 0.0179-0.0501 0.0493 ( 4921 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2467 -20.2466 -20.2077 -20.2077 -18.8730 -18.8729 -18.8034 -18.8033 -18.7336 -18.7336 -18.7136 -18.7136 -9.7419 -9.7419 -9.0795 -9.0795 -0.6679 -0.6679 0.4370 0.4370 0.5598 0.5598 0.7957 0.7957 1.6697 1.6697 1.7624 1.7624 3.2655 3.2655 3.9887 3.9887 4.0532 4.0532 5.5593 5.5593 5.9171 5.9171 k = 0.0268-0.0752 0.0740 ( 4921 PWs) bands (ev): -39.2622 -39.2622 -39.2573 -39.2573 -20.2469 -20.2468 -20.2080 -20.2080 -18.8731 -18.8730 -18.8036 -18.8036 -18.7342 -18.7342 -18.7143 -18.7142 -9.7378 -9.7378 -9.0771 -9.0771 -0.6647 -0.6647 0.4216 0.4216 0.5059 0.5059 0.8436 0.8436 1.6370 1.6370 1.7463 1.7463 3.2867 3.2867 4.0091 4.0091 4.0617 4.0617 5.5591 5.5591 5.9546 5.9547 k = 0.0357-0.1003 0.0986 ( 4925 PWs) bands (ev): -39.2621 -39.2621 -39.2573 -39.2573 -20.2472 -20.2471 -20.2085 -20.2085 -18.8732 -18.8732 -18.8040 -18.8040 -18.7351 -18.7351 -18.7152 -18.7152 -9.7321 -9.7321 -9.0736 -9.0736 -0.6601 -0.6601 0.3962 0.3962 0.4556 0.4556 0.8896 0.8896 1.5893 1.5893 1.7279 1.7279 3.3160 3.3160 4.0372 4.0372 4.0731 4.0731 5.5588 5.5588 6.0044 6.0045 k = 0.0446-0.1254 0.1233 ( 4919 PWs) bands (ev): -39.2620 -39.2620 -39.2572 -39.2572 -20.2476 -20.2475 -20.2091 -20.2090 -18.8734 -18.8734 -18.8045 -18.8044 -18.7362 -18.7362 -18.7164 -18.7164 -9.7248 -9.7248 -9.0693 -9.0693 -0.6543 -0.6543 0.3555 0.3555 0.4156 0.4156 0.9327 0.9327 1.5279 1.5279 1.7079 1.7079 3.3531 3.3531 4.0727 4.0727 4.0870 4.0870 5.5588 5.5588 6.0601 6.0604 k = 0.0536-0.1504 0.1479 ( 4917 PWs) bands (ev): -39.2618 -39.2618 -39.2570 -39.2570 -20.2480 -20.2480 -20.2098 -20.2098 -18.8736 -18.8736 -18.8050 -18.8050 -18.7375 -18.7375 -18.7179 -18.7179 -9.7160 -9.7160 -9.0640 -9.0640 -0.6472 -0.6472 0.3030 0.3030 0.3835 0.3835 0.9722 0.9722 1.4549 1.4549 1.6863 1.6863 3.3974 3.3974 4.1023 4.1023 4.1157 4.1157 5.5592 5.5592 6.0659 6.0661 k = 0.0625-0.1755 0.1726 ( 4913 PWs) bands (ev): -39.2616 -39.2616 -39.2569 -39.2569 -20.2486 -20.2485 -20.2107 -20.2106 -18.8739 -18.8738 -18.8057 -18.8057 -18.7391 -18.7391 -18.7197 -18.7196 -9.7056 -9.7056 -9.0580 -9.0580 -0.6391 -0.6391 0.2461 0.2461 0.3528 0.3528 1.0078 1.0078 1.3728 1.3728 1.6630 1.6630 3.4486 3.4486 4.1199 4.1199 4.1647 4.1647 5.5606 5.5606 6.0523 6.0524 k = 0.0714-0.2006 0.1973 ( 4909 PWs) bands (ev): -39.2614 -39.2614 -39.2567 -39.2567 -20.2492 -20.2491 -20.2117 -20.2116 -18.8741 -18.8741 -18.8065 -18.8064 -18.7409 -18.7408 -18.7216 -18.7216 -9.6939 -9.6939 -9.0512 -9.0512 -0.6298 -0.6298 0.1883 0.1883 0.3207 0.3207 1.0389 1.0389 1.2837 1.2838 1.6381 1.6381 3.5060 3.5060 4.1389 4.1389 4.2198 4.2199 5.5635 5.5635 6.0429 6.0429 k = 0.0804-0.2257 0.2219 ( 4907 PWs) bands (ev): -39.2612 -39.2612 -39.2566 -39.2566 -20.2499 -20.2498 -20.2128 -20.2127 -18.8745 -18.8744 -18.8073 -18.8073 -18.7428 -18.7428 -18.7239 -18.7238 -9.6808 -9.6808 -9.0438 -9.0438 -0.6196 -0.6196 0.1308 0.1308 0.2868 0.2868 1.0647 1.0648 1.1902 1.1902 1.6119 1.6119 3.5691 3.5691 4.1590 4.1590 4.2806 4.2806 5.5683 5.5683 6.0387 6.0387 k = 0.0893-0.2507 0.2466 ( 4911 PWs) bands (ev): -39.2609 -39.2609 -39.2564 -39.2564 -20.2506 -20.2505 -20.2140 -20.2139 -18.8748 -18.8747 -18.8083 -18.8082 -18.7450 -18.7450 -18.7263 -18.7262 -9.6664 -9.6664 -9.0358 -9.0358 -0.6085 -0.6085 0.0745 0.0745 0.2512 0.2512 1.0708 1.0710 1.1080 1.1082 1.5846 1.5846 3.6374 3.6374 4.1803 4.1803 4.3463 4.3463 5.5757 5.5757 6.0397 6.0397 k = 0.0982-0.2758 0.2712 ( 4903 PWs) bands (ev): -39.2606 -39.2606 -39.2561 -39.2561 -20.2515 -20.2513 -20.2153 -20.2152 -18.8752 -18.8751 -18.8093 -18.8092 -18.7474 -18.7473 -18.7289 -18.7289 -9.6508 -9.6508 -9.0273 -9.0273 -0.5968 -0.5968 0.0198 0.0198 0.2141 0.2141 0.9851 0.9851 1.1112 1.1113 1.5565 1.5565 3.7102 3.7102 4.2025 4.2025 4.4167 4.4167 5.5861 5.5862 6.0456 6.0456 k = 0.1071-0.3009 0.2959 ( 4919 PWs) bands (ev): -39.2604 -39.2604 -39.2559 -39.2559 -20.2523 -20.2522 -20.2168 -20.2166 -18.8756 -18.8755 -18.8104 -18.8104 -18.7499 -18.7499 -18.7318 -18.7317 -9.6341 -9.6341 -9.0185 -9.0185 -0.5846 -0.5846 -0.0329 -0.0329 0.1757 0.1757 0.8847 0.8847 1.1235 1.1236 1.5278 1.5278 3.7869 3.7869 4.2257 4.2257 4.4911 4.4911 5.5999 5.5999 6.0559 6.0559 k = 0.1161-0.3259 0.3205 ( 4919 PWs) bands (ev): -39.2601 -39.2601 -39.2557 -39.2557 -20.2533 -20.2531 -20.2183 -20.2181 -18.8760 -18.8759 -18.8116 -18.8115 -18.7526 -18.7526 -18.7348 -18.7347 -9.6164 -9.6164 -9.0094 -9.0094 -0.5722 -0.5722 -0.0833 -0.0833 0.1363 0.1363 0.7838 0.7838 1.1323 1.1323 1.4989 1.4989 3.8670 3.8670 4.2498 4.2498 4.5691 4.5691 5.6172 5.6172 6.0701 6.0701 k = 0.1250-0.3510 0.3452 ( 4911 PWs) bands (ev): -39.2597 -39.2597 -39.2554 -39.2554 -20.2543 -20.2541 -20.2199 -20.2198 -18.8764 -18.8763 -18.8129 -18.8128 -18.7555 -18.7554 -18.7380 -18.7379 -9.5978 -9.5978 -9.0001 -9.0001 -0.5601 -0.5601 -0.1310 -0.1310 0.0962 0.0962 0.6843 0.6843 1.1370 1.1370 1.4699 1.4699 3.9498 3.9498 4.2747 4.2747 4.6502 4.6502 5.6378 5.6378 6.0877 6.0877 k = 0.1339-0.3761 0.3698 ( 4901 PWs) bands (ev): -39.2593 -39.2593 -39.2551 -39.2551 -20.2553 -20.2552 -20.2216 -20.2215 -18.8768 -18.8767 -18.8142 -18.8142 -18.7584 -18.7584 -18.7413 -18.7412 -9.5784 -9.5784 -8.9907 -8.9907 -0.5486 -0.5486 -0.1757 -0.1757 0.0557 0.0557 0.5875 0.5875 1.1378 1.1379 1.4412 1.4412 4.0347 4.0347 4.3003 4.3003 4.7338 4.7338 5.6617 5.6617 6.1081 6.1081 k = 0.1429-0.4012 0.3945 ( 4901 PWs) bands (ev): -39.2590 -39.2590 -39.2548 -39.2548 -20.2564 -20.2563 -20.2234 -20.2232 -18.8773 -18.8772 -18.8157 -18.8156 -18.7615 -18.7615 -18.7448 -18.7447 -9.5584 -9.5584 -8.9815 -8.9815 -0.5386 -0.5386 -0.2171 -0.2171 0.0150 0.0150 0.4948 0.4948 1.1350 1.1350 1.4127 1.4127 4.1209 4.1209 4.3266 4.3266 4.8196 4.8196 5.6884 5.6884 6.1307 6.1307 k = 0.1518-0.4262 0.4192 ( 4909 PWs) bands (ev): -39.2586 -39.2586 -39.2545 -39.2545 -20.2576 -20.2574 -20.2253 -20.2251 -18.8777 -18.8776 -18.8171 -18.8170 -18.7647 -18.7647 -18.7484 -18.7483 -9.5377 -9.5377 -8.9724 -8.9724 -0.5307 -0.5307 -0.2551 -0.2551 -0.0258 -0.0258 0.4076 0.4076 1.1287 1.1287 1.3848 1.3848 4.2077 4.2077 4.3535 4.3535 4.9069 4.9069 5.7172 5.7172 6.1548 6.1548 k = 0.1607-0.4513 0.4438 ( 4911 PWs) bands (ev): -39.2582 -39.2582 -39.2542 -39.2542 -20.2588 -20.2586 -20.2272 -20.2270 -18.8782 -18.8781 -18.8187 -18.8186 -18.7680 -18.7679 -18.7521 -18.7519 -9.5166 -9.5166 -8.9636 -8.9635 -0.5263 -0.5263 -0.2893 -0.2893 -0.0664 -0.0664 0.3274 0.3274 1.1193 1.1193 1.3575 1.3575 4.2942 4.2942 4.3808 4.3808 4.9952 4.9952 5.7476 5.7476 6.1794 6.1794 k = 0.1696-0.4764 0.4685 ( 4917 PWs) bands (ev): -39.2577 -39.2577 -39.2539 -39.2539 -20.2600 -20.2598 -20.2292 -20.2290 -18.8786 -18.8785 -18.8202 -18.8201 -18.7714 -18.7713 -18.7558 -18.7557 -9.4952 -9.4952 -8.9551 -8.9551 -0.5266 -0.5266 -0.3196 -0.3196 -0.1067 -0.1066 0.2560 0.2560 1.1073 1.1073 1.3310 1.3310 4.3796 4.3796 4.4084 4.4084 5.0837 5.0837 5.7786 5.7786 6.2021 6.2021 k = 0.1786-0.5015 0.4931 ( 4901 PWs) bands (ev): -39.2573 -39.2573 -39.2535 -39.2535 -20.2612 -20.2610 -20.2313 -20.2310 -18.8791 -18.8789 -18.8219 -18.8217 -18.7748 -18.7747 -18.7597 -18.7596 -9.4736 -9.4736 -8.9472 -8.9472 -0.5330 -0.5330 -0.3458 -0.3458 -0.1465 -0.1464 0.1952 0.1953 1.0929 1.0929 1.3053 1.3053 4.4358 4.4358 4.4632 4.4632 5.1718 5.1718 5.8094 5.8094 6.2154 6.2154 k = 0.1875-0.5265 0.5178 ( 4905 PWs) bands (ev): -39.2568 -39.2568 -39.2532 -39.2532 -20.2625 -20.2623 -20.2334 -20.2331 -18.8795 -18.8794 -18.8235 -18.8234 -18.7783 -18.7781 -18.7636 -18.7635 -9.4519 -9.4519 -8.9399 -8.9399 -0.5470 -0.5470 -0.3677 -0.3677 -0.1857 -0.1857 0.1467 0.1467 1.0765 1.0765 1.2805 1.2805 4.4633 4.4633 4.5433 4.5433 5.2586 5.2586 5.8391 5.8391 6.2207 6.2207 k = 0.1964-0.5516 0.5424 ( 4905 PWs) bands (ev): -39.2564 -39.2564 -39.2528 -39.2528 -20.2638 -20.2635 -20.2355 -20.2352 -18.8799 -18.8798 -18.8252 -18.8251 -18.7818 -18.7816 -18.7676 -18.7674 -9.4303 -9.4303 -8.9333 -8.9333 -0.5693 -0.5693 -0.3852 -0.3852 -0.2242 -0.2242 0.1112 0.1112 1.0585 1.0585 1.2567 1.2567 4.4904 4.4904 4.6192 4.6192 5.3430 5.3430 5.8665 5.8665 6.2291 6.2292 k = 0.2054-0.5767 0.5671 ( 4905 PWs) bands (ev): -39.2559 -39.2559 -39.2524 -39.2524 -20.2651 -20.2648 -20.2376 -20.2374 -18.8804 -18.8802 -18.8269 -18.8268 -18.7853 -18.7851 -18.7716 -18.7714 -9.4088 -9.4088 -8.9274 -8.9274 -0.5996 -0.5995 -0.3981 -0.3981 -0.2619 -0.2619 0.0888 0.0888 1.0391 1.0391 1.2339 1.2339 4.5167 4.5167 4.6897 4.6898 5.4240 5.4240 5.8907 5.8907 6.2442 6.2442 k = 0.2143-0.6017 0.5918 ( 4903 PWs) bands (ev): -39.2554 -39.2554 -39.2521 -39.2521 -20.2664 -20.2661 -20.2398 -20.2396 -18.8808 -18.8806 -18.8287 -18.8285 -18.7888 -18.7886 -18.7756 -18.7754 -9.3876 -9.3876 -8.9224 -8.9224 -0.6366 -0.6366 -0.4064 -0.4064 -0.2987 -0.2987 0.0782 0.0782 1.0188 1.0188 1.2121 1.2121 4.5420 4.5420 4.7540 4.7540 5.5003 5.5003 5.9107 5.9107 6.2671 6.2671 k = 0.2232-0.6268 0.6164 ( 4905 PWs) bands (ev): -39.2549 -39.2549 -39.2517 -39.2517 -20.2677 -20.2674 -20.2420 -20.2418 -18.8812 -18.8810 -18.8304 -18.8303 -18.7924 -18.7922 -18.7796 -18.7794 -9.3668 -9.3668 -8.9183 -8.9183 -0.6785 -0.6785 -0.4101 -0.4101 -0.3344 -0.3344 0.0776 0.0776 0.9978 0.9978 1.1914 1.1914 4.5659 4.5659 4.8110 4.8110 5.5704 5.5705 5.9258 5.9258 6.2987 6.2987 k = 0.2321-0.6519 0.6411 ( 4903 PWs) bands (ev): -39.2544 -39.2544 -39.2513 -39.2513 -20.2690 -20.2687 -20.2442 -20.2440 -18.8816 -18.8814 -18.8322 -18.8320 -18.7959 -18.7956 -18.7835 -18.7833 -9.3465 -9.3465 -8.9151 -8.9151 -0.7233 -0.7233 -0.4097 -0.4097 -0.3684 -0.3684 0.0850 0.0850 0.9764 0.9764 1.1717 1.1717 4.5879 4.5879 4.8602 4.8602 5.6331 5.6331 5.9353 5.9353 6.3392 6.3393 k = 0.2411-0.6770 0.6657 ( 4907 PWs) bands (ev): -39.2540 -39.2540 -39.2510 -39.2510 -20.2703 -20.2700 -20.2465 -20.2462 -18.8819 -18.8818 -18.8339 -18.8338 -18.7994 -18.7991 -18.7875 -18.7873 -9.3268 -9.3268 -8.9129 -8.9129 -0.7692 -0.7691 -0.4128 -0.4127 -0.3931 -0.3931 0.0984 0.0985 0.9548 0.9548 1.1532 1.1532 4.6077 4.6077 4.9015 4.9015 5.6871 5.6871 5.9390 5.9390 6.3881 6.3882 k = 0.2500-0.7020 0.6904 ( 4903 PWs) bands (ev): -39.2535 -39.2534 -39.2506 -39.2506 -20.2716 -20.2713 -20.2487 -20.2484 -18.8823 -18.8821 -18.8357 -18.8355 -18.8028 -18.8025 -18.7914 -18.7911 -9.3078 -9.3078 -8.9117 -8.9116 -0.8145 -0.8145 -0.4398 -0.4398 -0.3879 -0.3879 0.1164 0.1165 0.9331 0.9332 1.1357 1.1357 4.6248 4.6248 4.9349 4.9349 5.7317 5.7317 5.9372 5.9372 6.4376 6.4377 k = 0.2589-0.7271 0.7150 ( 4895 PWs) bands (ev): -39.2529 -39.2529 -39.2502 -39.2502 -20.2728 -20.2725 -20.2509 -20.2506 -18.8826 -18.8825 -18.8374 -18.8372 -18.8062 -18.8059 -18.7952 -18.7949 -9.2896 -9.2895 -8.9114 -8.9114 -0.8583 -0.8582 -0.4709 -0.4709 -0.3729 -0.3729 0.1376 0.1377 0.9117 0.9117 1.1193 1.1193 4.6388 4.6389 4.9611 4.9611 5.7667 5.7667 5.9301 5.9301 6.4609 6.4613 k = 0.2679-0.7522 0.7397 ( 4899 PWs) bands (ev): -39.2525 -39.2525 -39.2498 -39.2498 -20.2741 -20.2738 -20.2530 -20.2527 -18.8829 -18.8828 -18.8391 -18.8389 -18.8096 -18.8093 -18.7990 -18.7987 -9.2721 -9.2721 -8.9122 -8.9122 -0.8995 -0.8995 -0.5015 -0.5015 -0.3526 -0.3526 0.1611 0.1611 0.8907 0.8907 1.1040 1.1040 4.6495 4.6495 4.9806 4.9806 5.7924 5.7924 5.9185 5.9185 6.4489 6.4491 k = 0.2768-0.7773 0.7644 ( 4897 PWs) bands (ev): -39.2520 -39.2520 -39.2494 -39.2494 -20.2753 -20.2750 -20.2552 -20.2549 -18.8832 -18.8831 -18.8407 -18.8406 -18.8129 -18.8125 -18.8027 -18.8023 -9.2556 -9.2556 -8.9140 -8.9140 -0.9378 -0.9378 -0.5311 -0.5311 -0.3277 -0.3276 0.1859 0.1859 0.8702 0.8702 1.0897 1.0897 4.6566 4.6566 4.9944 4.9944 5.8098 5.8098 5.9030 5.9030 6.4274 6.4275 k = 0.2857-0.8023 0.7890 ( 4889 PWs) bands (ev): -39.2515 -39.2515 -39.2491 -39.2491 -20.2765 -20.2762 -20.2573 -20.2570 -18.8835 -18.8834 -18.8424 -18.8422 -18.8162 -18.8158 -18.8062 -18.8059 -9.2401 -9.2401 -8.9167 -8.9167 -0.9725 -0.9725 -0.5596 -0.5596 -0.2982 -0.2982 0.2113 0.2114 0.8503 0.8503 1.0764 1.0764 4.6600 4.6600 5.0034 5.0034 5.8201 5.8201 5.8845 5.8845 6.4088 6.4089 k = 0.2946-0.8274 0.8137 ( 4893 PWs) bands (ev): -39.2510 -39.2510 -39.2487 -39.2487 -20.2777 -20.2774 -20.2593 -20.2590 -18.8838 -18.8837 -18.8439 -18.8437 -18.8193 -18.8189 -18.8097 -18.8093 -9.2255 -9.2255 -8.9202 -8.9202 -1.0035 -1.0035 -0.5870 -0.5870 -0.2646 -0.2646 0.2369 0.2369 0.8312 0.8312 1.0641 1.0641 4.6598 4.6599 5.0084 5.0084 5.8244 5.8244 5.8636 5.8636 6.3951 6.3952 k = 0.3036-0.8525 0.8383 ( 4889 PWs) bands (ev): -39.2505 -39.2505 -39.2483 -39.2483 -20.2788 -20.2785 -20.2614 -20.2610 -18.8841 -18.8840 -18.8454 -18.8453 -18.8225 -18.8220 -18.8130 -18.8126 -9.2119 -9.2119 -8.9247 -8.9246 -1.0305 -1.0305 -0.6132 -0.6132 -0.2271 -0.2271 0.2619 0.2620 0.8129 0.8129 1.0528 1.0528 4.6564 4.6564 5.0102 5.0102 5.8237 5.8238 5.8412 5.8413 6.3871 6.3871 k = 0.3125-0.8775 0.8630 ( 4889 PWs) bands (ev): -39.2501 -39.2501 -39.2480 -39.2480 -20.2800 -20.2796 -20.2633 -20.2630 -18.8843 -18.8842 -18.8469 -18.8467 -18.8255 -18.8251 -18.8162 -18.8158 -9.1994 -9.1994 -8.9298 -8.9298 -1.0535 -1.0535 -0.6383 -0.6383 -0.1859 -0.1859 0.2860 0.2861 0.7956 0.7956 1.0424 1.0424 4.6501 4.6501 5.0095 5.0095 5.8144 5.8144 5.8228 5.8228 6.3848 6.3849 k = 0.3214-0.9026 0.8876 ( 4893 PWs) bands (ev): -39.2497 -39.2497 -39.2476 -39.2476 -20.2810 -20.2807 -20.2653 -20.2649 -18.8846 -18.8845 -18.8483 -18.8481 -18.8285 -18.8280 -18.8193 -18.8189 -9.1879 -9.1879 -8.9357 -8.9357 -1.0724 -1.0724 -0.6622 -0.6622 -0.1415 -0.1414 0.3088 0.3088 0.7793 0.7793 1.0329 1.0329 4.6417 4.6417 5.0068 5.0069 5.7911 5.7912 5.8147 5.8148 6.3883 6.3884 k = 0.3304-0.9277 0.9123 ( 4903 PWs) bands (ev): -39.2493 -39.2493 -39.2473 -39.2473 -20.2821 -20.2817 -20.2671 -20.2668 -18.8848 -18.8847 -18.8496 -18.8494 -18.8314 -18.8309 -18.8222 -18.8218 -9.1774 -9.1774 -8.9421 -8.9421 -1.0872 -1.0872 -0.6849 -0.6849 -0.0941 -0.0941 0.3297 0.3298 0.7641 0.7642 1.0243 1.0243 4.6319 4.6319 5.0028 5.0028 5.7664 5.7664 5.8060 5.8060 6.3973 6.3973 k = 0.3393-0.9528 0.9370 ( 4891 PWs) bands (ev): -39.2488 -39.2488 -39.2469 -39.2469 -20.2831 -20.2827 -20.2689 -20.2685 -18.8850 -18.8849 -18.8508 -18.8507 -18.8342 -18.8337 -18.8249 -18.8245 -9.1680 -9.1680 -8.9490 -8.9490 -1.0982 -1.0982 -0.7065 -0.7065 -0.0443 -0.0443 0.3486 0.3487 0.7502 0.7502 1.0164 1.0164 4.6215 4.6215 4.9977 4.9977 5.7416 5.7416 5.7960 5.7960 6.4112 6.4112 k = 0.3482-0.9778 0.9616 ( 4895 PWs) bands (ev): -39.2484 -39.2484 -39.2466 -39.2466 -20.2840 -20.2836 -20.2706 -20.2703 -18.8852 -18.8851 -18.8520 -18.8518 -18.8369 -18.8365 -18.8275 -18.8271 -9.1595 -9.1595 -8.9564 -8.9564 -1.1053 -1.1053 -0.7268 -0.7268 0.0075 0.0075 0.3651 0.3651 0.7375 0.7375 1.0093 1.0093 4.6114 4.6114 4.9919 4.9919 5.7172 5.7172 5.7851 5.7851 6.4294 6.4294 k = 0.3571-1.0029 0.9863 ( 4899 PWs) bands (ev): -39.2481 -39.2481 -39.2463 -39.2463 -20.2849 -20.2845 -20.2722 -20.2719 -18.8854 -18.8853 -18.8531 -18.8529 -18.8395 -18.8391 -18.8299 -18.8296 -9.1519 -9.1519 -8.9640 -8.9640 -1.1088 -1.1088 -0.7460 -0.7460 0.0606 0.0606 0.3789 0.3790 0.7262 0.7262 1.0029 1.0029 4.6024 4.6024 4.9857 4.9857 5.6935 5.6935 5.7736 5.7736 6.4512 6.4513 k = 0.3661-1.0280 1.0109 ( 4895 PWs) bands (ev): -39.2477 -39.2477 -39.2460 -39.2460 -20.2857 -20.2854 -20.2738 -20.2734 -18.8856 -18.8855 -18.8541 -18.8540 -18.8420 -18.8416 -18.8322 -18.8318 -9.1452 -9.1452 -8.9719 -8.9719 -1.1089 -1.1089 -0.7640 -0.7640 0.1144 0.1145 0.3900 0.3901 0.7165 0.7165 0.9972 0.9972 4.5952 4.5952 4.9792 4.9793 5.6708 5.6708 5.7620 5.7620 6.4760 6.4760 k = 0.3750-1.0531 1.0356 ( 4897 PWs) bands (ev): -39.2474 -39.2473 -39.2458 -39.2457 -20.2865 -20.2862 -20.2753 -20.2749 -18.8858 -18.8857 -18.8550 -18.8549 -18.8444 -18.8440 -18.8343 -18.8340 -9.1394 -9.1394 -8.9798 -8.9798 -1.1060 -1.1059 -0.7808 -0.7808 0.1682 0.1683 0.3983 0.3984 0.7084 0.7084 0.9921 0.9921 4.5904 4.5904 4.9728 4.9728 5.6493 5.6493 5.7504 5.7504 6.5029 6.5029 k = 0.3839-1.0781 1.0602 ( 4894 PWs) bands (ev): -39.2470 -39.2470 -39.2455 -39.2455 -20.2873 -20.2869 -20.2767 -20.2763 -18.8859 -18.8859 -18.8558 -18.8558 -18.8467 -18.8463 -18.8363 -18.8360 -9.1344 -9.1344 -8.9877 -8.9877 -1.1002 -1.1002 -0.7964 -0.7964 0.2209 0.2210 0.4039 0.4040 0.7023 0.7023 0.9876 0.9876 4.5883 4.5883 4.9664 4.9664 5.6292 5.6292 5.7390 5.7390 6.5312 6.5312 k = 0.3929-1.1032 1.0849 ( 4892 PWs) bands (ev): -39.2467 -39.2467 -39.2452 -39.2452 -20.2880 -20.2876 -20.2779 -20.2776 -18.8860 -18.8860 -18.8566 -18.8566 -18.8488 -18.8485 -18.8381 -18.8378 -9.1300 -9.1300 -8.9955 -8.9955 -1.0919 -1.0919 -0.8109 -0.8109 0.2714 0.2715 0.4072 0.4073 0.6985 0.6985 0.9836 0.9836 4.5892 4.5892 4.9603 4.9603 5.6107 5.6107 5.7280 5.7280 6.5603 6.5603 k = 0.4018-1.1283 1.1095 ( 4894 PWs) bands (ev): -39.2464 -39.2464 -39.2450 -39.2450 -20.2886 -20.2883 -20.2791 -20.2788 -18.8861 -18.8861 -18.8574 -18.8573 -18.8507 -18.8505 -18.8397 -18.8394 -9.1264 -9.1264 -9.0031 -9.0031 -1.0816 -1.0816 -0.8242 -0.8241 0.3176 0.3178 0.4091 0.4093 0.6974 0.6974 0.9801 0.9801 4.5932 4.5932 4.9545 4.9545 5.5939 5.5939 5.7175 5.7176 6.5894 6.5894 k = 0.4107-1.1533 1.1342 ( 4902 PWs) bands (ev): -39.2462 -39.2462 -39.2448 -39.2448 -20.2892 -20.2888 -20.2803 -20.2799 -18.8862 -18.8862 -18.8582 -18.8580 -18.8524 -18.8524 -18.8412 -18.8410 -9.1233 -9.1233 -9.0103 -9.0103 -1.0696 -1.0696 -0.8363 -0.8363 0.3555 0.3557 0.4129 0.4131 0.6995 0.6995 0.9770 0.9770 4.6000 4.6000 4.9490 4.9490 5.5789 5.5789 5.7077 5.7077 6.6181 6.6181 k = 0.4196-1.1784 1.1589 ( 4894 PWs) bands (ev): -39.2459 -39.2459 -39.2446 -39.2446 -20.2897 -20.2894 -20.2813 -20.2810 -18.8863 -18.8863 -18.8589 -18.8587 -18.8540 -18.8540 -18.8425 -18.8423 -9.1207 -9.1207 -9.0172 -9.0172 -1.0565 -1.0565 -0.8472 -0.8472 0.3753 0.3755 0.4274 0.4276 0.7055 0.7055 0.9744 0.9744 4.6095 4.6095 4.9440 4.9440 5.5657 5.5657 5.6986 5.6986 6.6456 6.6456 k = 0.4286-1.2035 1.1835 ( 4890 PWs) bands (ev): -39.2457 -39.2457 -39.2444 -39.2444 -20.2901 -20.2899 -20.2822 -20.2819 -18.8864 -18.8863 -18.8597 -18.8594 -18.8554 -18.8553 -18.8437 -18.8436 -9.1187 -9.1187 -9.0236 -9.0236 -1.0427 -1.0427 -0.8570 -0.8570 0.3772 0.3773 0.4518 0.4519 0.7156 0.7156 0.9721 0.9721 4.6210 4.6210 4.9394 4.9394 5.5544 5.5544 5.6903 5.6903 6.6716 6.6716 k = 0.4375-1.2286 1.2082 ( 4876 PWs) bands (ev): -39.2455 -39.2455 -39.2443 -39.2442 -20.2905 -20.2903 -20.2830 -20.2827 -18.8864 -18.8864 -18.8605 -18.8601 -18.8565 -18.8563 -18.8448 -18.8446 -9.1170 -9.1170 -9.0294 -9.0294 -1.0287 -1.0287 -0.8656 -0.8656 0.3723 0.3724 0.4749 0.4750 0.7297 0.7297 0.9702 0.9702 4.6340 4.6340 4.9353 4.9353 5.5448 5.5448 5.6829 5.6829 6.6956 6.6956 k = 0.4464-1.2536 1.2328 ( 4872 PWs) bands (ev): -39.2453 -39.2453 -39.2441 -39.2441 -20.2909 -20.2906 -20.2837 -20.2834 -18.8864 -18.8864 -18.8613 -18.8609 -18.8574 -18.8572 -18.8457 -18.8456 -9.1156 -9.1156 -9.0346 -9.0346 -1.0151 -1.0151 -0.8731 -0.8731 0.3652 0.3653 0.4929 0.4930 0.7469 0.7469 0.9686 0.9686 4.6478 4.6478 4.9318 4.9318 5.5370 5.5370 5.6764 5.6764 6.7172 6.7173 k = 0.4554-1.2787 1.2575 ( 4872 PWs) bands (ev): -39.2452 -39.2452 -39.2440 -39.2440 -20.2912 -20.2910 -20.2842 -20.2840 -18.8864 -18.8864 -18.8620 -18.8617 -18.8580 -18.8578 -18.8464 -18.8463 -9.1146 -9.1146 -9.0391 -9.0391 -1.0024 -1.0024 -0.8794 -0.8794 0.3574 0.3575 0.5059 0.5060 0.7653 0.7653 0.9673 0.9673 4.6614 4.6614 4.9287 4.9287 5.5308 5.5308 5.6708 5.6708 6.7361 6.7361 k = 0.4643-1.3038 1.2821 ( 4876 PWs) bands (ev): -39.2450 -39.2450 -39.2439 -39.2439 -20.2914 -20.2912 -20.2847 -20.2846 -18.8864 -18.8864 -18.8627 -18.8624 -18.8585 -18.8582 -18.8471 -18.8470 -9.1138 -9.1138 -9.0428 -9.0428 -0.9912 -0.9912 -0.8846 -0.8846 0.3499 0.3499 0.5148 0.5148 0.7833 0.7833 0.9663 0.9663 4.6740 4.6740 4.9262 4.9262 5.5260 5.5260 5.6662 5.6662 6.7520 6.7520 k = 0.4732-1.3288 1.3068 ( 4886 PWs) bands (ev): -39.2450 -39.2450 -39.2438 -39.2438 -20.2916 -20.2914 -20.2851 -20.2850 -18.8864 -18.8864 -18.8633 -18.8630 -18.8587 -18.8586 -18.8475 -18.8475 -9.1132 -9.1132 -9.0458 -9.0458 -0.9818 -0.9818 -0.8886 -0.8886 0.3433 0.3434 0.5207 0.5207 0.7990 0.7990 0.9655 0.9655 4.6849 4.6849 4.9243 4.9243 5.5225 5.5225 5.6626 5.6626 6.7646 6.7646 k = 0.4821-1.3539 1.3315 ( 4882 PWs) bands (ev): -39.2449 -39.2449 -39.2438 -39.2438 -20.2917 -20.2916 -20.2854 -20.2853 -18.8864 -18.8864 -18.8637 -18.8635 -18.8589 -18.8588 -18.8479 -18.8478 -9.1129 -9.1129 -9.0480 -9.0480 -0.9748 -0.9748 -0.8914 -0.8914 0.3382 0.3383 0.5243 0.5243 0.8111 0.8111 0.9650 0.9650 4.6932 4.6932 4.9229 4.9229 5.5201 5.5201 5.6600 5.6600 6.7737 6.7737 k = 0.4911-1.3790 1.3561 ( 4874 PWs) bands (ev): -39.2449 -39.2449 -39.2437 -39.2437 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8639 -18.8638 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0492 -9.0492 -0.9705 -0.9705 -0.8931 -0.8931 0.3350 0.3350 0.5263 0.5263 0.8187 0.8187 0.9647 0.9647 4.6985 4.6985 4.9221 4.9221 5.5188 5.5188 5.6585 5.6585 6.7792 6.7792 k = 0.5000-1.4041 1.3808 ( 4878 PWs) bands (ev): -39.2448 -39.2448 -39.2437 -39.2437 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9691 -0.9691 -0.8937 -0.8937 0.3339 0.3339 0.5269 0.5269 0.8213 0.8213 0.9646 0.9646 4.7003 4.7003 4.9218 4.9218 5.5183 5.5183 5.6579 5.6579 6.7811 6.7811 k = 0.5000-1.4041 1.3808 ( 4878 PWs) bands (ev): -39.2448 -39.2448 -39.2437 -39.2437 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9691 -0.9691 -0.8937 -0.8937 0.3339 0.3339 0.5269 0.5269 0.8213 0.8213 0.9646 0.9646 4.7003 4.7003 4.9218 4.9218 5.5183 5.5183 5.6579 5.6579 6.7811 6.7811 k = 0.5333-1.3980 1.3748 ( 4886 PWs) bands (ev): -39.2448 -39.2448 -39.2437 -39.2437 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9691 -0.9691 -0.8937 -0.8937 0.3339 0.3339 0.5269 0.5269 0.8213 0.8213 0.9646 0.9646 4.7004 4.7004 4.9216 4.9216 5.5180 5.5181 5.6581 5.6582 6.7811 6.7821 k = 0.5667-1.3920 1.3689 ( 4886 PWs) bands (ev): -39.2448 -39.2448 -39.2437 -39.2437 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9691 -0.9691 -0.8937 -0.8937 0.3339 0.3339 0.5269 0.5269 0.8213 0.8213 0.9646 0.9646 4.7008 4.7009 4.9213 4.9213 5.5172 5.5174 5.6588 5.6588 6.7822 6.7840 k = 0.6000-1.3860 1.3630 ( 4876 PWs) bands (ev): -39.2448 -39.2448 -39.2437 -39.2437 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9691 -0.9690 -0.8937 -0.8937 0.3340 0.3340 0.5269 0.5269 0.8213 0.8213 0.9646 0.9646 4.7015 4.7016 4.9206 4.9207 5.5159 5.5162 5.6598 5.6598 6.7842 6.7870 k = 0.6333-1.3799 1.3570 ( 4882 PWs) bands (ev): -39.2448 -39.2448 -39.2438 -39.2438 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9691 -0.9690 -0.8937 -0.8937 0.3340 0.3340 0.5268 0.5268 0.8213 0.8213 0.9646 0.9646 4.7025 4.7025 4.9198 4.9198 5.5142 5.5146 5.6612 5.6612 6.7872 6.7908 k = 0.6667-1.3739 1.3511 ( 4890 PWs) bands (ev): -39.2448 -39.2448 -39.2438 -39.2438 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9691 -0.9691 -0.8937 -0.8937 0.3340 0.3340 0.5268 0.5268 0.8213 0.8213 0.9646 0.9646 4.7036 4.7037 4.9188 4.9188 5.5122 5.5126 5.6629 5.6629 6.7911 6.7955 k = 0.7000-1.3679 1.3452 ( 4886 PWs) bands (ev): -39.2448 -39.2448 -39.2438 -39.2438 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9690 -0.9690 -0.8937 -0.8937 0.3340 0.3340 0.5268 0.5268 0.8213 0.8213 0.9646 0.9646 4.7049 4.7050 4.9177 4.9177 5.5099 5.5103 5.6647 5.6648 6.7957 6.8010 k = 0.7333-1.3618 1.3392 ( 4882 PWs) bands (ev): -39.2448 -39.2448 -39.2437 -39.2437 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9690 -0.9690 -0.8937 -0.8937 0.3341 0.3341 0.5267 0.5267 0.8213 0.8213 0.9646 0.9646 4.7063 4.7064 4.9165 4.9165 5.5074 5.5079 5.6667 5.6668 6.8010 6.8071 k = 0.7667-1.3558 1.3333 ( 4878 PWs) bands (ev): -39.2448 -39.2448 -39.2437 -39.2437 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9690 -0.9690 -0.8937 -0.8937 0.3341 0.3341 0.5267 0.5267 0.8213 0.8213 0.9646 0.9646 4.7078 4.7079 4.9153 4.9153 5.5049 5.5054 5.6688 5.6688 6.8070 6.8137 k = 0.8000-1.3498 1.3274 ( 4866 PWs) bands (ev): -39.2448 -39.2448 -39.2437 -39.2437 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9690 -0.9690 -0.8937 -0.8937 0.3341 0.3341 0.5266 0.5266 0.8213 0.8213 0.9646 0.9646 4.7092 4.7093 4.9141 4.9142 5.5025 5.5029 5.6708 5.6708 6.8134 6.8207 k = 0.8333-1.3437 1.3214 ( 4868 PWs) bands (ev): -39.2448 -39.2448 -39.2437 -39.2437 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9690 -0.9690 -0.8937 -0.8937 0.3342 0.3342 0.5266 0.5266 0.8213 0.8213 0.9646 0.9646 4.7105 4.7106 4.9130 4.9131 5.5002 5.5006 5.6726 5.6727 6.8202 6.8281 k = 0.8667-1.3377 1.3155 ( 4866 PWs) bands (ev): -39.2448 -39.2448 -39.2437 -39.2437 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9690 -0.9690 -0.8937 -0.8937 0.3342 0.3342 0.5266 0.5266 0.8212 0.8212 0.9646 0.9646 4.7117 4.7118 4.9121 4.9121 5.4982 5.4986 5.6743 5.6743 6.8273 6.8356 k = 0.9000-1.3317 1.3096 ( 4868 PWs) bands (ev): -39.2448 -39.2448 -39.2437 -39.2437 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9690 -0.9690 -0.8937 -0.8937 0.3342 0.3342 0.5265 0.5265 0.8212 0.8212 0.9646 0.9646 4.7127 4.7128 4.9113 4.9113 5.4966 5.4968 5.6757 5.6757 6.8347 6.8432 k = 0.9333-1.3256 1.3036 ( 4870 PWs) bands (ev): -39.2448 -39.2448 -39.2437 -39.2437 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9690 -0.9690 -0.8937 -0.8937 0.3342 0.3342 0.5265 0.5265 0.8212 0.8212 0.9646 0.9646 4.7134 4.7135 4.9107 4.9107 5.4953 5.4955 5.6767 5.6767 6.8420 6.8505 k = 0.9667-1.3196 1.2977 ( 4874 PWs) bands (ev): -39.2448 -39.2448 -39.2437 -39.2437 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9690 -0.9690 -0.8937 -0.8937 0.3342 0.3342 0.5265 0.5265 0.8212 0.8212 0.9646 0.9646 4.7139 4.7139 4.9103 4.9103 5.4946 5.4947 5.6773 5.6773 6.8493 6.8563 k = 1.0000-1.3136 1.2918 ( 4878 PWs) bands (ev): -39.2448 -39.2448 -39.2438 -39.2438 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9690 -0.9690 -0.8937 -0.8937 0.3342 0.3342 0.5265 0.5265 0.8212 0.8212 0.9646 0.9646 4.7141 4.7141 4.9102 4.9102 5.4944 5.4944 5.6775 5.6775 6.8555 6.8555 k = 1.0000-1.3136 1.2918 ( 4878 PWs) bands (ev): -39.2448 -39.2448 -39.2438 -39.2438 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9690 -0.9690 -0.8937 -0.8937 0.3342 0.3342 0.5265 0.5265 0.8212 0.8212 0.9646 0.9646 4.7141 4.7141 4.9102 4.9102 5.4944 5.4944 5.6775 5.6775 6.8555 6.8555 k = 0.9911-1.2885 1.2671 ( 4870 PWs) bands (ev): -39.2448 -39.2448 -39.2437 -39.2437 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8639 -18.8638 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0492 -9.0492 -0.9705 -0.9705 -0.8931 -0.8931 0.3353 0.3353 0.5259 0.5259 0.8186 0.8186 0.9647 0.9647 4.7124 4.7124 4.9105 4.9105 5.4947 5.4947 5.6780 5.6780 6.8541 6.8541 k = 0.9821-1.2634 1.2424 ( 4874 PWs) bands (ev): -39.2449 -39.2449 -39.2438 -39.2438 -20.2917 -20.2916 -20.2854 -20.2853 -18.8864 -18.8864 -18.8637 -18.8635 -18.8589 -18.8588 -18.8479 -18.8478 -9.1129 -9.1129 -9.0480 -9.0480 -0.9748 -0.9748 -0.8914 -0.8914 0.3386 0.3386 0.5239 0.5239 0.8110 0.8110 0.9650 0.9650 4.7074 4.7074 4.9114 4.9114 5.4957 5.4957 5.6795 5.6795 6.8501 6.8501 k = 0.9732-1.2383 1.2178 ( 4872 PWs) bands (ev): -39.2450 -39.2450 -39.2438 -39.2438 -20.2916 -20.2914 -20.2851 -20.2850 -18.8864 -18.8864 -18.8633 -18.8630 -18.8587 -18.8586 -18.8475 -18.8475 -9.1132 -9.1132 -9.0458 -9.0458 -0.9818 -0.9818 -0.8886 -0.8886 0.3436 0.3437 0.5202 0.5203 0.7989 0.7989 0.9656 0.9656 4.6996 4.6996 4.9128 4.9128 5.4974 5.4974 5.6820 5.6820 6.8434 6.8434 k = 0.9643-1.2133 1.1931 ( 4872 PWs) bands (ev): -39.2450 -39.2450 -39.2439 -39.2439 -20.2914 -20.2912 -20.2847 -20.2846 -18.8864 -18.8864 -18.8627 -18.8624 -18.8585 -18.8582 -18.8471 -18.8470 -9.1138 -9.1138 -9.0428 -9.0428 -0.9911 -0.9911 -0.8846 -0.8846 0.3502 0.3502 0.5144 0.5144 0.7832 0.7832 0.9664 0.9664 4.6894 4.6894 4.9148 4.9148 5.4999 5.4999 5.6855 5.6855 6.8340 6.8340 k = 0.9554-1.1882 1.1685 ( 4884 PWs) bands (ev): -39.2452 -39.2452 -39.2440 -39.2440 -20.2912 -20.2910 -20.2842 -20.2840 -18.8864 -18.8864 -18.8620 -18.8617 -18.8580 -18.8578 -18.8464 -18.8463 -9.1146 -9.1146 -9.0391 -9.0391 -1.0024 -1.0024 -0.8794 -0.8794 0.3577 0.3578 0.5054 0.5055 0.7652 0.7652 0.9674 0.9674 4.6776 4.6776 4.9174 4.9174 5.5035 5.5035 5.6900 5.6900 6.8220 6.8220 k = 0.9464-1.1631 1.1438 ( 4884 PWs) bands (ev): -39.2453 -39.2453 -39.2441 -39.2441 -20.2909 -20.2906 -20.2837 -20.2834 -18.8864 -18.8864 -18.8613 -18.8609 -18.8574 -18.8572 -18.8457 -18.8456 -9.1156 -9.1156 -9.0346 -9.0346 -1.0151 -1.0151 -0.8731 -0.8731 0.3655 0.3656 0.4924 0.4925 0.7467 0.7467 0.9687 0.9687 4.6651 4.6651 4.9206 4.9206 5.5082 5.5082 5.6954 5.6954 6.8077 6.8077 k = 0.9375-1.1380 1.1192 ( 4880 PWs) bands (ev): -39.2455 -39.2455 -39.2443 -39.2443 -20.2905 -20.2903 -20.2830 -20.2827 -18.8864 -18.8864 -18.8605 -18.8601 -18.8565 -18.8563 -18.8448 -18.8446 -9.1170 -9.1170 -9.0294 -9.0294 -1.0287 -1.0287 -0.8656 -0.8656 0.3726 0.3727 0.4743 0.4744 0.7296 0.7296 0.9703 0.9703 4.6527 4.6527 4.9243 4.9243 5.5141 5.5141 5.7017 5.7017 6.7912 6.7912 k = 0.9286-1.1130 1.0945 ( 4882 PWs) bands (ev): -39.2457 -39.2457 -39.2444 -39.2444 -20.2901 -20.2899 -20.2822 -20.2819 -18.8864 -18.8863 -18.8597 -18.8594 -18.8554 -18.8553 -18.8437 -18.8436 -9.1187 -9.1186 -9.0236 -9.0236 -1.0427 -1.0427 -0.8570 -0.8570 0.3774 0.3776 0.4513 0.4515 0.7154 0.7154 0.9722 0.9722 4.6412 4.6412 4.9285 4.9285 5.5214 5.5214 5.7089 5.7089 6.7729 6.7729 k = 0.9196-1.0879 1.0698 ( 4870 PWs) bands (ev): -39.2459 -39.2459 -39.2446 -39.2446 -20.2897 -20.2894 -20.2813 -20.2810 -18.8863 -18.8863 -18.8589 -18.8587 -18.8540 -18.8540 -18.8425 -18.8423 -9.1207 -9.1207 -9.0172 -9.0172 -1.0565 -1.0565 -0.8472 -0.8472 0.3753 0.3756 0.4271 0.4273 0.7052 0.7053 0.9745 0.9745 4.6315 4.6315 4.9332 4.9333 5.5300 5.5300 5.7169 5.7169 6.7530 6.7531 k = 0.9107-1.0628 1.0452 ( 4866 PWs) bands (ev): -39.2461 -39.2461 -39.2448 -39.2448 -20.2892 -20.2888 -20.2803 -20.2799 -18.8862 -18.8862 -18.8582 -18.8580 -18.8524 -18.8524 -18.8412 -18.8410 -9.1233 -9.1233 -9.0103 -9.0103 -1.0696 -1.0696 -0.8363 -0.8363 0.3551 0.3554 0.4130 0.4132 0.6992 0.6993 0.9771 0.9771 4.6241 4.6241 4.9385 4.9385 5.5400 5.5400 5.7257 5.7257 6.7319 6.7320 k = 0.9018-1.0378 1.0205 ( 4862 PWs) bands (ev): -39.2464 -39.2464 -39.2450 -39.2450 -20.2886 -20.2883 -20.2791 -20.2788 -18.8861 -18.8861 -18.8574 -18.8573 -18.8507 -18.8505 -18.8397 -18.8394 -9.1264 -9.1264 -9.0031 -9.0031 -1.0816 -1.0816 -0.8241 -0.8241 0.3171 0.3173 0.4093 0.4095 0.6970 0.6971 0.9801 0.9801 4.6196 4.6196 4.9441 4.9441 5.5512 5.5512 5.7352 5.7352 6.7100 6.7101 k = 0.8929-1.0127 0.9959 ( 4866 PWs) bands (ev): -39.2467 -39.2467 -39.2452 -39.2452 -20.2880 -20.2876 -20.2779 -20.2776 -18.8860 -18.8860 -18.8566 -18.8566 -18.8488 -18.8485 -18.8381 -18.8378 -9.1300 -9.1300 -8.9955 -8.9955 -1.0919 -1.0919 -0.8109 -0.8109 0.2708 0.2709 0.4075 0.4076 0.6981 0.6981 0.9836 0.9836 4.6185 4.6185 4.9502 4.9502 5.5636 5.5636 5.7453 5.7453 6.6877 6.6878 k = 0.8839-0.9876 0.9712 ( 4866 PWs) bands (ev): -39.2470 -39.2470 -39.2454 -39.2454 -20.2873 -20.2869 -20.2767 -20.2763 -18.8859 -18.8859 -18.8558 -18.8558 -18.8467 -18.8463 -18.8363 -18.8360 -9.1344 -9.1344 -8.9877 -8.9877 -1.1001 -1.1001 -0.7964 -0.7964 0.2203 0.2204 0.4043 0.4044 0.7018 0.7019 0.9876 0.9876 4.6209 4.6209 4.9566 4.9566 5.5768 5.5768 5.7559 5.7559 6.6653 6.6655 k = 0.8750-0.9625 0.9466 ( 4866 PWs) bands (ev): -39.2473 -39.2473 -39.2457 -39.2457 -20.2865 -20.2862 -20.2753 -20.2749 -18.8858 -18.8857 -18.8550 -18.8549 -18.8444 -18.8440 -18.8343 -18.8340 -9.1394 -9.1394 -8.9798 -8.9798 -1.1059 -1.1059 -0.7808 -0.7808 0.1676 0.1677 0.3987 0.3988 0.7079 0.7079 0.9922 0.9922 4.6268 4.6268 4.9632 4.9632 5.5907 5.5907 5.7668 5.7668 6.6434 6.6435 k = 0.8661-0.9375 0.9219 ( 4878 PWs) bands (ev): -39.2477 -39.2477 -39.2460 -39.2460 -20.2857 -20.2854 -20.2738 -20.2734 -18.8856 -18.8855 -18.8541 -18.8540 -18.8420 -18.8416 -18.8322 -18.8318 -9.1452 -9.1452 -8.9719 -8.9718 -1.1089 -1.1089 -0.7640 -0.7640 0.1138 0.1139 0.3904 0.3905 0.7158 0.7158 0.9973 0.9973 4.6361 4.6361 4.9699 4.9699 5.6049 5.6049 5.7780 5.7780 6.6222 6.6224 k = 0.8571-0.9124 0.8973 ( 4872 PWs) bands (ev): -39.2480 -39.2480 -39.2463 -39.2463 -20.2849 -20.2845 -20.2722 -20.2719 -18.8854 -18.8853 -18.8531 -18.8529 -18.8395 -18.8391 -18.8299 -18.8296 -9.1519 -9.1519 -8.9640 -8.9640 -1.1088 -1.1088 -0.7460 -0.7460 0.0600 0.0600 0.3794 0.3794 0.7255 0.7255 1.0030 1.0030 4.6485 4.6485 4.9766 4.9766 5.6190 5.6190 5.7891 5.7891 6.6017 6.6020 k = 0.8482-0.8873 0.8726 ( 4870 PWs) bands (ev): -39.2484 -39.2484 -39.2466 -39.2466 -20.2840 -20.2836 -20.2706 -20.2703 -18.8852 -18.8851 -18.8520 -18.8518 -18.8369 -18.8365 -18.8275 -18.8271 -9.1595 -9.1595 -8.9564 -8.9564 -1.1053 -1.1052 -0.7268 -0.7268 0.0068 0.0069 0.3656 0.3656 0.7367 0.7367 1.0094 1.0094 4.6635 4.6636 4.9831 4.9831 5.6325 5.6325 5.8000 5.8000 6.5811 6.5815 k = 0.8393-0.8622 0.8479 ( 4886 PWs) bands (ev): -39.2488 -39.2488 -39.2469 -39.2469 -20.2831 -20.2827 -20.2689 -20.2685 -18.8850 -18.8849 -18.8508 -18.8507 -18.8342 -18.8337 -18.8249 -18.8245 -9.1680 -9.1680 -8.9490 -8.9490 -1.0981 -1.0981 -0.7065 -0.7065 -0.0450 -0.0449 0.3491 0.3492 0.7492 0.7492 1.0165 1.0165 4.6806 4.6806 4.9892 4.9893 5.6448 5.6448 5.8103 5.8103 6.5574 6.5578 k = 0.8304-0.8372 0.8233 ( 4890 PWs) bands (ev): -39.2492 -39.2492 -39.2473 -39.2473 -20.2821 -20.2817 -20.2671 -20.2668 -18.8848 -18.8847 -18.8496 -18.8494 -18.8314 -18.8309 -18.8222 -18.8218 -9.1774 -9.1774 -8.9421 -8.9421 -1.0872 -1.0872 -0.6849 -0.6849 -0.0948 -0.0948 0.3303 0.3303 0.7631 0.7631 1.0243 1.0243 4.6990 4.6990 4.9947 4.9947 5.6554 5.6554 5.8196 5.8196 6.5297 6.5300 k = 0.8214-0.8121 0.7986 ( 4886 PWs) bands (ev): -39.2497 -39.2497 -39.2476 -39.2476 -20.2810 -20.2807 -20.2653 -20.2649 -18.8846 -18.8845 -18.8483 -18.8481 -18.8285 -18.8280 -18.8193 -18.8189 -9.1879 -9.1879 -8.9357 -8.9357 -1.0723 -1.0723 -0.6622 -0.6622 -0.1422 -0.1422 0.3093 0.3094 0.7781 0.7781 1.0330 1.0330 4.7180 4.7180 4.9991 4.9991 5.6634 5.6634 5.8275 5.8275 6.5007 6.5010 k = 0.8125-0.7870 0.7740 ( 4890 PWs) bands (ev): -39.2501 -39.2501 -39.2480 -39.2480 -20.2800 -20.2796 -20.2633 -20.2630 -18.8843 -18.8842 -18.8469 -18.8467 -18.8255 -18.8251 -18.8162 -18.8158 -9.1994 -9.1994 -8.9298 -8.9298 -1.0534 -1.0534 -0.6383 -0.6383 -0.1867 -0.1867 0.2866 0.2867 0.7943 0.7943 1.0425 1.0425 4.7367 4.7367 5.0021 5.0021 5.6681 5.6681 5.8334 5.8334 6.4726 6.4728 k = 0.8036-0.7620 0.7493 ( 4892 PWs) bands (ev): -39.2506 -39.2506 -39.2483 -39.2483 -20.2788 -20.2785 -20.2614 -20.2610 -18.8841 -18.8840 -18.8454 -18.8453 -18.8225 -18.8220 -18.8130 -18.8126 -9.2119 -9.2119 -8.9247 -8.9246 -1.0305 -1.0305 -0.6132 -0.6132 -0.2279 -0.2279 0.2626 0.2626 0.8115 0.8115 1.0528 1.0528 4.7544 4.7544 5.0033 5.0033 5.6688 5.6688 5.8364 5.8364 6.4466 6.4468 k = 0.7946-0.7369 0.7247 ( 4884 PWs) bands (ev): -39.2510 -39.2510 -39.2487 -39.2487 -20.2777 -20.2774 -20.2593 -20.2590 -18.8838 -18.8837 -18.8439 -18.8437 -18.8193 -18.8189 -18.8097 -18.8093 -9.2255 -9.2255 -8.9202 -8.9202 -1.0034 -1.0034 -0.5870 -0.5870 -0.2655 -0.2654 0.2375 0.2376 0.8296 0.8296 1.0642 1.0642 4.7703 4.7703 5.0019 5.0019 5.6649 5.6649 5.8358 5.8358 6.4236 6.4237 k = 0.7857-0.7118 0.7000 ( 4892 PWs) bands (ev): -39.2515 -39.2515 -39.2491 -39.2491 -20.2765 -20.2762 -20.2573 -20.2570 -18.8835 -18.8834 -18.8424 -18.8422 -18.8162 -18.8158 -18.8062 -18.8059 -9.2401 -9.2401 -8.9167 -8.9167 -0.9725 -0.9725 -0.5596 -0.5596 -0.2991 -0.2991 0.2120 0.2121 0.8485 0.8486 1.0764 1.0764 4.7838 4.7838 4.9974 4.9974 5.6558 5.6558 5.8305 5.8305 6.4041 6.4042 k = 0.7768-0.6867 0.6753 ( 4892 PWs) bands (ev): -39.2520 -39.2520 -39.2494 -39.2494 -20.2753 -20.2750 -20.2552 -20.2549 -18.8832 -18.8831 -18.8407 -18.8406 -18.8129 -18.8125 -18.8027 -18.8023 -9.2556 -9.2556 -8.9140 -8.9140 -0.9377 -0.9377 -0.5311 -0.5311 -0.3285 -0.3285 0.1866 0.1866 0.8683 0.8683 1.0897 1.0897 4.7945 4.7945 4.9889 4.9889 5.6414 5.6414 5.8192 5.8192 6.3881 6.3882 k = 0.7679-0.6617 0.6507 ( 4904 PWs) bands (ev): -39.2525 -39.2525 -39.2498 -39.2498 -20.2741 -20.2738 -20.2530 -20.2527 -18.8829 -18.8828 -18.8391 -18.8389 -18.8096 -18.8093 -18.7990 -18.7987 -9.2721 -9.2721 -8.9122 -8.9122 -0.8995 -0.8995 -0.5015 -0.5015 -0.3536 -0.3535 0.1618 0.1619 0.8886 0.8886 1.1040 1.1040 4.8020 4.8020 4.9756 4.9756 5.6217 5.6217 5.8008 5.8008 6.3753 6.3754 k = 0.7589-0.6366 0.6260 ( 4908 PWs) bands (ev): -39.2530 -39.2530 -39.2502 -39.2502 -20.2728 -20.2725 -20.2509 -20.2506 -18.8826 -18.8825 -18.8374 -18.8372 -18.8062 -18.8059 -18.7952 -18.7949 -9.2896 -9.2895 -8.9114 -8.9114 -0.8582 -0.8582 -0.4709 -0.4709 -0.3739 -0.3738 0.1384 0.1385 0.9095 0.9095 1.1193 1.1193 4.8061 4.8061 4.9566 4.9566 5.5972 5.5972 5.7740 5.7740 6.3650 6.3650 k = 0.7500-0.6115 0.6014 ( 4910 PWs) bands (ev): -39.2535 -39.2535 -39.2506 -39.2506 -20.2716 -20.2713 -20.2487 -20.2484 -18.8823 -18.8821 -18.8357 -18.8355 -18.8028 -18.8025 -18.7914 -18.7911 -9.3078 -9.3078 -8.9117 -8.9116 -0.8144 -0.8144 -0.4399 -0.4399 -0.3889 -0.3889 0.1173 0.1173 0.9307 0.9307 1.1357 1.1357 4.8069 4.8069 4.9310 4.9310 5.5685 5.5685 5.7379 5.7380 6.3559 6.3560 k = 0.7411-0.5864 0.5767 ( 4910 PWs) bands (ev): -39.2540 -39.2540 -39.2510 -39.2510 -20.2703 -20.2700 -20.2465 -20.2462 -18.8819 -18.8818 -18.8339 -18.8338 -18.7994 -18.7991 -18.7875 -18.7873 -9.3268 -9.3268 -8.9129 -8.9129 -0.7691 -0.7691 -0.4132 -0.4131 -0.3938 -0.3938 0.0993 0.0993 0.9521 0.9521 1.1531 1.1531 4.8044 4.8044 4.8981 4.8981 5.5364 5.5364 5.6923 5.6924 6.3460 6.3461 k = 0.7321-0.5614 0.5521 ( 4914 PWs) bands (ev): -39.2545 -39.2545 -39.2513 -39.2513 -20.2690 -20.2687 -20.2442 -20.2440 -18.8816 -18.8814 -18.8322 -18.8320 -18.7959 -18.7956 -18.7835 -18.7833 -9.3465 -9.3465 -8.9151 -8.9151 -0.7233 -0.7232 -0.4108 -0.4107 -0.3685 -0.3685 0.0859 0.0859 0.9735 0.9735 1.1717 1.1717 4.7989 4.7989 4.8575 4.8575 5.5015 5.5015 5.6374 5.6374 6.3270 6.3270 k = 0.7232-0.5363 0.5274 ( 4926 PWs) bands (ev): -39.2550 -39.2550 -39.2517 -39.2517 -20.2677 -20.2674 -20.2420 -20.2418 -18.8812 -18.8810 -18.8304 -18.8303 -18.7924 -18.7922 -18.7796 -18.7794 -9.3668 -9.3668 -8.9183 -8.9183 -0.6784 -0.6784 -0.4113 -0.4112 -0.3345 -0.3345 0.0785 0.0785 0.9947 0.9947 1.1913 1.1913 4.7899 4.7899 4.8097 4.8097 5.4647 5.4647 5.5740 5.5740 6.2928 6.2928 k = 0.7143-0.5112 0.5027 ( 4930 PWs) bands (ev): -39.2555 -39.2555 -39.2521 -39.2521 -20.2664 -20.2661 -20.2398 -20.2396 -18.8808 -18.8806 -18.8287 -18.8285 -18.7888 -18.7886 -18.7756 -18.7754 -9.3876 -9.3876 -8.9224 -8.9224 -0.6365 -0.6365 -0.4076 -0.4076 -0.2988 -0.2987 0.0791 0.0791 1.0155 1.0155 1.2120 1.2120 4.7509 4.7509 4.7816 4.7816 5.4267 5.4268 5.5032 5.5032 6.2623 6.2624 k = 0.7054-0.4862 0.4781 ( 4934 PWs) bands (ev): -39.2559 -39.2559 -39.2525 -39.2525 -20.2651 -20.2648 -20.2376 -20.2374 -18.8804 -18.8802 -18.8269 -18.8268 -18.7853 -18.7851 -18.7716 -18.7714 -9.4088 -9.4088 -8.9274 -8.9274 -0.5994 -0.5994 -0.3994 -0.3994 -0.2619 -0.2619 0.0896 0.0897 1.0355 1.0355 1.2338 1.2338 4.6876 4.6876 4.7686 4.7686 5.3881 5.3881 5.4264 5.4264 6.2397 6.2398 k = 0.6964-0.4611 0.4534 ( 4946 PWs) bands (ev): -39.2564 -39.2564 -39.2529 -39.2529 -20.2638 -20.2635 -20.2355 -20.2352 -18.8799 -18.8798 -18.8252 -18.8251 -18.7818 -18.7816 -18.7676 -18.7674 -9.4303 -9.4303 -8.9333 -8.9333 -0.5690 -0.5690 -0.3866 -0.3866 -0.2242 -0.2242 0.1121 0.1121 1.0546 1.0546 1.2566 1.2566 4.6175 4.6175 4.7544 4.7544 5.3441 5.3441 5.3505 5.3505 6.2248 6.2248 k = 0.6875-0.4360 0.4288 ( 4948 PWs) bands (ev): -39.2569 -39.2569 -39.2532 -39.2532 -20.2625 -20.2623 -20.2334 -20.2331 -18.8795 -18.8794 -18.8235 -18.8234 -18.7783 -18.7781 -18.7636 -18.7635 -9.4519 -9.4519 -8.9399 -8.9399 -0.5467 -0.5467 -0.3692 -0.3692 -0.1857 -0.1857 0.1475 0.1475 1.0723 1.0723 1.2804 1.2804 4.5419 4.5419 4.7388 4.7388 5.2600 5.2600 5.3116 5.3116 6.2161 6.2161 k = 0.6786-0.4109 0.4041 ( 4948 PWs) bands (ev): -39.2574 -39.2574 -39.2536 -39.2536 -20.2612 -20.2610 -20.2313 -20.2310 -18.8791 -18.8789 -18.8219 -18.8217 -18.7748 -18.7747 -18.7597 -18.7596 -9.4736 -9.4736 -8.9472 -8.9472 -0.5327 -0.5327 -0.3474 -0.3474 -0.1465 -0.1465 0.1960 0.1960 1.0884 1.0884 1.3052 1.3052 4.4619 4.4619 4.7223 4.7223 5.1730 5.1730 5.2742 5.2742 6.2078 6.2078 k = 0.6696-0.3859 0.3795 ( 4940 PWs) bands (ev): -39.2578 -39.2578 -39.2539 -39.2539 -20.2600 -20.2598 -20.2292 -20.2290 -18.8786 -18.8785 -18.8202 -18.8201 -18.7714 -18.7713 -18.7558 -18.7557 -9.4952 -9.4952 -8.9551 -8.9551 -0.5261 -0.5261 -0.3213 -0.3213 -0.1067 -0.1067 0.2567 0.2568 1.1025 1.1026 1.3309 1.3309 4.3788 4.3788 4.7049 4.7049 5.0847 5.0847 5.2381 5.2381 6.1854 6.1854 k = 0.6607-0.3608 0.3548 ( 4940 PWs) bands (ev): -39.2582 -39.2582 -39.2542 -39.2542 -20.2588 -20.2586 -20.2272 -20.2270 -18.8782 -18.8781 -18.8187 -18.8186 -18.7680 -18.7679 -18.7521 -18.7519 -9.5166 -9.5166 -8.9636 -8.9636 -0.5258 -0.5258 -0.2911 -0.2911 -0.0664 -0.0664 0.3281 0.3281 1.1143 1.1143 1.3575 1.3575 4.2935 4.2935 4.6869 4.6869 4.9960 4.9960 5.2036 5.2036 6.1545 6.1545 k = 0.6518-0.3357 0.3301 ( 4940 PWs) bands (ev): -39.2586 -39.2586 -39.2545 -39.2545 -20.2576 -20.2574 -20.2253 -20.2251 -18.8777 -18.8776 -18.8171 -18.8170 -18.7647 -18.7647 -18.7484 -18.7483 -9.5377 -9.5377 -8.9724 -8.9724 -0.5302 -0.5302 -0.2570 -0.2570 -0.0258 -0.0258 0.4082 0.4082 1.1234 1.1234 1.3848 1.3848 4.2071 4.2071 4.6686 4.6686 4.9076 4.9076 5.1708 5.1708 6.1221 6.1221 k = 0.6429-0.3106 0.3055 ( 4928 PWs) bands (ev): -39.2590 -39.2590 -39.2548 -39.2548 -20.2564 -20.2563 -20.2234 -20.2232 -18.8773 -18.8772 -18.8157 -18.8156 -18.7615 -18.7615 -18.7448 -18.7447 -9.5584 -9.5584 -8.9815 -8.9815 -0.5379 -0.5379 -0.2192 -0.2192 0.0149 0.0149 0.4954 0.4954 1.1294 1.1295 1.4127 1.4127 4.1204 4.1204 4.6500 4.6500 4.8202 4.8202 5.1399 5.1400 6.0904 6.0904 k = 0.6339-0.2856 0.2808 ( 4932 PWs) bands (ev): -39.2594 -39.2594 -39.2551 -39.2551 -20.2553 -20.2552 -20.2216 -20.2215 -18.8768 -18.8767 -18.8142 -18.8142 -18.7584 -18.7584 -18.7413 -18.7412 -9.5784 -9.5784 -8.9908 -8.9907 -0.5480 -0.5480 -0.1779 -0.1779 0.0557 0.0557 0.5881 0.5881 1.1321 1.1321 1.4411 1.4411 4.0342 4.0343 4.6313 4.6313 4.7344 4.7344 5.1113 5.1113 6.0609 6.0610 k = 0.6250-0.2605 0.2562 ( 4924 PWs) bands (ev): -39.2597 -39.2597 -39.2554 -39.2554 -20.2543 -20.2541 -20.2199 -20.2198 -18.8764 -18.8763 -18.8129 -18.8128 -18.7555 -18.7554 -18.7380 -18.7379 -9.5978 -9.5978 -9.0001 -9.0001 -0.5594 -0.5594 -0.1333 -0.1333 0.0962 0.0962 0.6849 0.6849 1.1311 1.1311 1.4699 1.4699 3.9495 3.9495 4.6125 4.6125 4.6507 4.6507 5.0848 5.0848 6.0349 6.0349 k = 0.6161-0.2354 0.2315 ( 4926 PWs) bands (ev): -39.2601 -39.2601 -39.2557 -39.2557 -20.2533 -20.2531 -20.2183 -20.2181 -18.8760 -18.8759 -18.8116 -18.8115 -18.7526 -18.7526 -18.7348 -18.7347 -9.6164 -9.6164 -9.0094 -9.0094 -0.5715 -0.5715 -0.0858 -0.0858 0.1362 0.1362 0.7844 0.7844 1.1261 1.1262 1.4989 1.4989 3.8667 3.8667 4.5693 4.5693 4.5941 4.5941 5.0606 5.0606 6.0133 6.0134 k = 0.6071-0.2104 0.2069 ( 4928 PWs) bands (ev): -39.2604 -39.2604 -39.2559 -39.2559 -20.2523 -20.2522 -20.2168 -20.2166 -18.8756 -18.8755 -18.8104 -18.8104 -18.7499 -18.7499 -18.7318 -18.7317 -9.6341 -9.6341 -9.0185 -9.0185 -0.5838 -0.5838 -0.0356 -0.0356 0.1756 0.1756 0.8852 0.8853 1.1172 1.1173 1.5278 1.5278 3.7867 3.7867 4.4914 4.4914 4.5754 4.5754 5.0387 5.0387 5.9970 5.9971 k = 0.5982-0.1853 0.1822 ( 4928 PWs) bands (ev): -39.2607 -39.2607 -39.2562 -39.2562 -20.2515 -20.2513 -20.2153 -20.2152 -18.8752 -18.8751 -18.8093 -18.8092 -18.7474 -18.7473 -18.7289 -18.7289 -9.6508 -9.6508 -9.0274 -9.0274 -0.5960 -0.5960 0.0170 0.0170 0.2140 0.2140 0.9855 0.9856 1.1049 1.1050 1.5564 1.5564 3.7099 3.7099 4.4169 4.4169 4.5569 4.5569 5.0190 5.0190 5.9867 5.9867 k = 0.5893-0.1602 0.1576 ( 4932 PWs) bands (ev): -39.2610 -39.2610 -39.2564 -39.2564 -20.2506 -20.2505 -20.2140 -20.2139 -18.8748 -18.8747 -18.8083 -18.8082 -18.7450 -18.7450 -18.7263 -18.7262 -9.6664 -9.6664 -9.0358 -9.0358 -0.6077 -0.6077 0.0715 0.0715 0.2511 0.2511 1.0679 1.0681 1.1050 1.1052 1.5846 1.5846 3.6372 3.6372 4.3466 4.3466 4.5386 4.5386 5.0015 5.0015 5.9827 5.9827 k = 0.5804-0.1351 0.1329 ( 4934 PWs) bands (ev): -39.2612 -39.2612 -39.2566 -39.2566 -20.2499 -20.2498 -20.2128 -20.2127 -18.8745 -18.8744 -18.8073 -18.8073 -18.7428 -18.7428 -18.7239 -18.7238 -9.6808 -9.6808 -9.0438 -9.0438 -0.6188 -0.6188 0.1277 0.1277 0.2867 0.2867 1.0584 1.0585 1.1905 1.1905 1.6119 1.6119 3.5689 3.5689 4.2808 4.2808 4.5205 4.5205 4.9860 4.9860 5.9854 5.9854 k = 0.5714-0.1101 0.1082 ( 4928 PWs) bands (ev): -39.2614 -39.2614 -39.2568 -39.2568 -20.2492 -20.2491 -20.2117 -20.2116 -18.8741 -18.8741 -18.8065 -18.8064 -18.7409 -18.7408 -18.7216 -18.7216 -9.6939 -9.6939 -9.0513 -9.0512 -0.6290 -0.6290 0.1849 0.1849 0.3205 0.3205 1.0325 1.0326 1.2841 1.2841 1.6381 1.6381 3.5058 3.5058 4.2200 4.2200 4.5028 4.5028 4.9724 4.9724 5.9947 5.9948 k = 0.5625-0.0850 0.0836 ( 4934 PWs) bands (ev): -39.2617 -39.2617 -39.2569 -39.2569 -20.2486 -20.2485 -20.2107 -20.2106 -18.8739 -18.8738 -18.8057 -18.8057 -18.7391 -18.7391 -18.7197 -18.7196 -9.7056 -9.7056 -9.0580 -9.0580 -0.6382 -0.6382 0.2426 0.2426 0.3524 0.3524 1.0014 1.0015 1.3732 1.3732 1.6630 1.6630 3.4484 3.4484 4.1649 4.1649 4.4855 4.4855 4.9607 4.9607 6.0104 6.0105 k = 0.5536-0.0599 0.0589 ( 4930 PWs) bands (ev): -39.2618 -39.2618 -39.2571 -39.2571 -20.2480 -20.2480 -20.2098 -20.2098 -18.8736 -18.8736 -18.8050 -18.8050 -18.7375 -18.7375 -18.7179 -18.7179 -9.7160 -9.7159 -9.0640 -9.0640 -0.6464 -0.6464 0.2996 0.2996 0.3828 0.3828 0.9660 0.9660 1.4553 1.4553 1.6863 1.6863 3.3973 3.3973 4.1157 4.1157 4.4690 4.4690 4.9506 4.9506 6.0313 6.0315 k = 0.5446-0.0348 0.0343 ( 4926 PWs) bands (ev): -39.2620 -39.2620 -39.2572 -39.2572 -20.2476 -20.2475 -20.2091 -20.2090 -18.8734 -18.8734 -18.8045 -18.8044 -18.7362 -18.7362 -18.7164 -18.7164 -9.7248 -9.7248 -9.0693 -9.0693 -0.6534 -0.6534 0.3527 0.3527 0.4140 0.4140 0.9267 0.9267 1.5281 1.5281 1.7079 1.7079 3.3530 3.3530 4.0731 4.0731 4.4536 4.4536 4.9422 4.9423 6.0492 6.0496 k = 0.5357-0.0098 0.0096 ( 4926 PWs) bands (ev): -39.2621 -39.2621 -39.2573 -39.2573 -20.2472 -20.2471 -20.2085 -20.2085 -18.8732 -18.8732 -18.8040 -18.8040 -18.7351 -18.7351 -18.7152 -18.7152 -9.7321 -9.7321 -9.0736 -9.0736 -0.6592 -0.6592 0.3948 0.3948 0.4522 0.4522 0.8838 0.8838 1.5895 1.5895 1.7279 1.7279 3.3159 3.3159 4.0375 4.0375 4.4397 4.4398 4.9354 4.9355 6.0120 6.0122 k = 0.5268 0.0153-0.0150 ( 4926 PWs) bands (ev): -39.2622 -39.2622 -39.2573 -39.2573 -20.2469 -20.2468 -20.2080 -20.2080 -18.8731 -18.8730 -18.8036 -18.8036 -18.7342 -18.7342 -18.7143 -18.7142 -9.7378 -9.7378 -9.0771 -9.0771 -0.6638 -0.6638 0.4211 0.4211 0.5012 0.5012 0.8381 0.8382 1.6371 1.6371 1.7463 1.7463 3.2866 3.2866 4.0093 4.0093 4.4280 4.4280 4.9302 4.9302 5.9659 5.9660 k = 0.5179 0.0404-0.0397 ( 4930 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2467 -20.2466 -20.2077 -20.2077 -18.8730 -18.8729 -18.8034 -18.8033 -18.7336 -18.7336 -18.7136 -18.7136 -9.7419 -9.7419 -9.0796 -9.0796 -0.6671 -0.6671 0.4369 0.4369 0.5542 0.5542 0.7907 0.7907 1.6698 1.6698 1.7625 1.7625 3.2654 3.2654 3.9889 3.9889 4.4191 4.4191 4.9264 4.9264 5.9308 5.9309 k = 0.5089 0.0654-0.0644 ( 4938 PWs) bands (ev): -39.2624 -39.2624 -39.2574 -39.2574 -20.2465 -20.2465 -20.2075 -20.2075 -18.8729 -18.8729 -18.8032 -18.8032 -18.7332 -18.7332 -18.7132 -18.7131 -9.7444 -9.7444 -9.0811 -9.0811 -0.6691 -0.6691 0.4457 0.4457 0.6043 0.6043 0.7449 0.7449 1.6881 1.6881 1.7741 1.7741 3.2525 3.2525 3.9766 3.9766 4.4134 4.4134 4.9242 4.9242 5.9091 5.9091 k = 0.5000 0.0905-0.0890 ( 4942 PWs) bands (ev): -39.2624 -39.2624 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6697 -0.6697 0.4486 0.4486 0.6320 0.6320 0.7186 0.7186 1.6939 1.6939 1.7784 1.7784 3.2482 3.2482 3.9724 3.9724 4.4115 4.4115 4.9235 4.9235 5.9018 5.9018 k = 0.5000 0.0905-0.0890 ( 4942 PWs) bands (ev): -39.2624 -39.2624 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6697 -0.6697 0.4486 0.4486 0.6320 0.6320 0.7186 0.7186 1.6939 1.6939 1.7784 1.7784 3.2482 3.2482 3.9724 3.9724 4.4115 4.4115 4.9235 4.9235 5.9018 5.9018 k = 0.4667 0.0845-0.0831 ( 4936 PWs) bands (ev): -39.2624 -39.2624 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6697 -0.6697 0.4486 0.4486 0.6321 0.6321 0.7186 0.7186 1.6939 1.6939 1.7784 1.7785 3.2482 3.2482 3.9724 3.9724 4.4035 4.4038 4.9336 4.9339 5.9015 5.9020 k = 0.4333 0.0784-0.0771 ( 4940 PWs) bands (ev): -39.2624 -39.2624 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6698 -0.6698 0.4486 0.4486 0.6323 0.6324 0.7187 0.7187 1.6938 1.6939 1.7784 1.7785 3.2482 3.2482 3.9724 3.9724 4.3816 4.3821 4.9625 4.9631 5.9010 5.9020 k = 0.4000 0.0724-0.0712 ( 4938 PWs) bands (ev): -39.2624 -39.2624 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6698 -0.6698 0.4486 0.4486 0.6327 0.6328 0.7188 0.7189 1.6938 1.6939 1.7784 1.7785 3.2482 3.2482 3.9724 3.9724 4.3502 4.3509 5.0056 5.0064 5.9005 5.9019 k = 0.3667 0.0664-0.0653 ( 4934 PWs) bands (ev): -39.2624 -39.2624 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6699 -0.6699 0.4486 0.4486 0.6333 0.6333 0.7190 0.7191 1.6938 1.6939 1.7784 1.7785 3.2482 3.2482 3.9724 3.9724 4.3135 4.3142 5.0585 5.0593 5.8997 5.9016 k = 0.3333 0.0603-0.0593 ( 4934 PWs) bands (ev): -39.2624 -39.2624 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6699 -0.6699 0.4486 0.4486 0.6339 0.6340 0.7192 0.7193 1.6938 1.6939 1.7784 1.7784 3.2482 3.2482 3.9724 3.9724 4.2748 4.2755 5.1173 5.1181 5.8989 5.9012 k = 0.3000 0.0543-0.0534 ( 4924 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6700 -0.6700 0.4486 0.4486 0.6347 0.6348 0.7195 0.7196 1.6938 1.6939 1.7784 1.7784 3.2482 3.2482 3.9724 3.9724 4.2363 4.2370 5.1793 5.1800 5.8978 5.9006 k = 0.2667 0.0483-0.0475 ( 4928 PWs) bands (ev): -39.2624 -39.2624 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6701 -0.6701 0.4486 0.4486 0.6355 0.6356 0.7198 0.7199 1.6938 1.6939 1.7784 1.7784 3.2482 3.2482 3.9723 3.9724 4.1995 4.2002 5.2421 5.2427 5.8965 5.8997 k = 0.2333 0.0422-0.0415 ( 4924 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6702 -0.6702 0.4486 0.4486 0.6363 0.6364 0.7201 0.7202 1.6938 1.6939 1.7784 1.7784 3.2483 3.2483 3.9723 3.9723 4.1655 4.1661 5.3040 5.3043 5.8951 5.8985 k = 0.2000 0.0362-0.0356 ( 4922 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6703 -0.6703 0.4486 0.4486 0.6371 0.6372 0.7204 0.7205 1.6938 1.6939 1.7784 1.7784 3.2483 3.2483 3.9723 3.9723 4.1350 4.1355 5.3629 5.3630 5.8934 5.8971 k = 0.1667 0.0302-0.0297 ( 4921 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6704 -0.6704 0.4486 0.4486 0.6378 0.6379 0.7207 0.7208 1.6938 1.6939 1.7784 1.7784 3.2483 3.2483 3.9723 3.9723 4.1085 4.1089 5.4171 5.4173 5.8916 5.8953 k = 0.1333 0.0241-0.0237 ( 4915 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6704 -0.6704 0.4486 0.4486 0.6385 0.6385 0.7209 0.7210 1.6938 1.6939 1.7784 1.7784 3.2483 3.2483 3.9722 3.9723 4.0863 4.0867 5.4649 5.4652 5.8897 5.8932 k = 0.1000 0.0181-0.0178 ( 4911 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6705 -0.6705 0.4486 0.4486 0.6390 0.6391 0.7212 0.7212 1.6939 1.6939 1.7784 1.7784 3.2483 3.2483 3.9722 3.9723 4.0689 4.0692 5.5045 5.5050 5.8879 5.8910 k = 0.0667 0.0121-0.0119 ( 4907 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6706 -0.6706 0.4486 0.4486 0.6394 0.6395 0.7213 0.7214 1.6939 1.6939 1.7784 1.7784 3.2483 3.2483 3.9722 3.9722 4.0563 4.0565 5.5344 5.5349 5.8865 5.8888 k = 0.0333 0.0060-0.0059 ( 4911 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6706 -0.6706 0.4486 0.4486 0.6397 0.6397 0.7215 0.7215 1.6939 1.6939 1.7784 1.7784 3.2483 3.2483 3.9722 3.9722 4.0487 4.0488 5.5531 5.5534 5.8858 5.8870 k = 0.0000 0.0000 0.0000 ( 4915 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6706 -0.6706 0.4486 0.4486 0.6398 0.6398 0.7215 0.7215 1.6939 1.6939 1.7784 1.7784 3.2483 3.2483 3.9722 3.9722 4.0462 4.0462 5.5596 5.5596 5.8859 5.8859 k = 0.0000 0.0000 0.0000 ( 4915 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6706 -0.6706 0.4486 0.4486 0.6398 0.6398 0.7215 0.7215 1.6939 1.6939 1.7784 1.7784 3.2483 3.2483 3.9722 3.9722 4.0462 4.0462 5.5596 5.5596 5.8859 5.8859 k = 0.0000 0.0253 0.0258 ( 4907 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2467 -20.2463 -20.2076 -20.2073 -18.8730 -18.8728 -18.8034 -18.8030 -18.7336 -18.7328 -18.7136 -18.7127 -9.7444 -9.7441 -9.0811 -9.0807 -0.6699 -0.6698 0.4207 0.4358 0.6413 0.6700 0.7150 0.7273 1.6675 1.7114 1.7504 1.7967 3.2524 3.2542 3.9735 3.9767 4.0475 4.0480 5.5604 5.5605 5.8876 5.8892 k = 0.0000 0.0507 0.0515 ( 4909 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2470 -20.2463 -20.2080 -20.2074 -18.8733 -18.8727 -18.8039 -18.8030 -18.7344 -18.7328 -18.7144 -18.7127 -9.7416 -9.7410 -9.0793 -9.0785 -0.6678 -0.6675 0.3700 0.3909 0.6561 0.7016 0.7205 0.7423 1.6324 1.7111 1.7219 1.8052 3.2663 3.2698 3.9808 3.9870 4.0518 4.0529 5.5627 5.5629 5.8941 5.8972 k = 0.0000 0.0760 0.0773 ( 4917 PWs) bands (ev): -39.2622 -39.2622 -39.2573 -39.2573 -20.2475 -20.2463 -20.2085 -20.2076 -18.8736 -18.8727 -18.8044 -18.8032 -18.7354 -18.7329 -18.7154 -18.7129 -9.7368 -9.7359 -9.0762 -9.0749 -0.6641 -0.6638 0.3099 0.3325 0.6563 0.6867 0.7723 0.7761 1.5888 1.6646 1.7217 1.8043 3.2898 3.2950 3.9946 4.0031 4.0588 4.0609 5.5666 5.5669 5.9050 5.9096 k = 0.0000 0.1014 0.1031 ( 4913 PWs) bands (ev): -39.2621 -39.2621 -39.2573 -39.2573 -20.2479 -20.2464 -20.2092 -20.2079 -18.8739 -18.8727 -18.8052 -18.8035 -18.7366 -18.7334 -18.7167 -18.7133 -9.7301 -9.7289 -9.0718 -9.0701 -0.6591 -0.6586 0.2459 0.2687 0.6416 0.6654 0.8212 0.8255 1.5369 1.6082 1.7148 1.7946 3.3225 3.3294 4.0151 4.0249 4.0685 4.0723 5.5719 5.5722 5.9198 5.9259 k = 0.0000 0.1267 0.1289 ( 4909 PWs) bands (ev): -39.2620 -39.2620 -39.2572 -39.2572 -20.2485 -20.2466 -20.2100 -20.2084 -18.8743 -18.8728 -18.8061 -18.8040 -18.7380 -18.7340 -18.7182 -18.7140 -9.7215 -9.7201 -9.0662 -9.0641 -0.6526 -0.6520 0.1800 0.2027 0.6180 0.6389 0.8688 0.8769 1.4770 1.5431 1.7009 1.7770 3.3639 3.3722 4.0423 4.0511 4.0809 4.0882 5.5786 5.5789 5.9379 5.9453 k = 0.0000 0.1521 0.1546 ( 4921 PWs) bands (ev): -39.2619 -39.2619 -39.2571 -39.2571 -20.2492 -20.2469 -20.2109 -20.2090 -18.8747 -18.8730 -18.8071 -18.8046 -18.7397 -18.7349 -18.7200 -18.7149 -9.7111 -9.7094 -9.0594 -9.0569 -0.6447 -0.6440 0.1136 0.1359 0.5883 0.6079 0.9151 0.9252 1.4097 1.4701 1.6811 1.7526 3.4134 3.4231 4.0742 4.0772 4.0981 4.1133 5.5865 5.5868 5.9587 5.9673 k = 0.0000 0.1774 0.1804 ( 4931 PWs) bands (ev): -39.2617 -39.2617 -39.2570 -39.2570 -20.2499 -20.2473 -20.2120 -20.2098 -18.8752 -18.8732 -18.8083 -18.8054 -18.7415 -18.7360 -18.7219 -18.7161 -9.6989 -9.6969 -9.0515 -9.0486 -0.6355 -0.6346 0.0474 0.0692 0.5539 0.5729 0.9584 0.9695 1.3354 1.3898 1.6562 1.7227 3.4703 3.4812 4.0988 4.1006 4.1299 4.1515 5.5953 5.5955 5.9817 5.9912 k = 0.0000 0.2028 0.2062 ( 4917 PWs) bands (ev): -39.2615 -39.2615 -39.2568 -39.2568 -20.2507 -20.2477 -20.2132 -20.2106 -18.8757 -18.8735 -18.8096 -18.8063 -18.7435 -18.7373 -18.7241 -18.7175 -9.6850 -9.6827 -9.0427 -9.0393 -0.6250 -0.6239 -0.0182 0.0032 0.5157 0.5345 0.9974 1.0094 1.2550 1.3032 1.6273 1.6884 3.5339 3.5459 4.1182 4.1198 4.1776 4.2005 5.6050 5.6050 6.0005 6.0066 k = 0.0000 0.2281 0.2320 ( 4921 PWs) bands (ev): -39.2613 -39.2613 -39.2567 -39.2567 -20.2515 -20.2482 -20.2145 -20.2117 -18.8762 -18.8738 -18.8111 -18.8074 -18.7457 -18.7389 -18.7264 -18.7191 -9.6695 -9.6668 -9.0329 -9.0291 -0.6132 -0.6120 -0.0825 -0.0616 0.4744 0.4931 1.0308 1.0441 1.1703 1.2115 1.5952 1.6510 3.6036 3.6164 4.1376 4.1387 4.2340 4.2573 5.6150 5.6152 5.9796 5.9865 k = 0.0000 0.2534 0.2577 ( 4913 PWs) bands (ev): -39.2610 -39.2610 -39.2565 -39.2565 -20.2525 -20.2488 -20.2159 -20.2128 -18.8768 -18.8741 -18.8126 -18.8086 -18.7481 -18.7406 -18.7290 -18.7209 -9.6524 -9.6494 -9.0223 -9.0181 -0.6004 -0.5990 -0.1452 -0.1249 0.4306 0.4494 1.0464 1.0710 1.0936 1.1179 1.5608 1.6115 3.6785 3.6922 4.1579 4.1585 4.2970 4.3207 5.6255 5.6259 5.9652 5.9704 k = 0.0000 0.2788 0.2835 ( 4921 PWs) bands (ev): -39.2608 -39.2608 -39.2563 -39.2563 -20.2535 -20.2495 -20.2174 -20.2141 -18.8774 -18.8745 -18.8144 -18.8099 -18.7506 -18.7425 -18.7317 -18.7229 -9.6338 -9.6306 -9.0111 -9.0064 -0.5866 -0.5849 -0.2059 -0.1862 0.3850 0.4038 0.9754 1.0120 1.0945 1.1016 1.5249 1.5707 3.7580 3.7724 4.1793 4.1795 4.3657 4.3899 5.6364 5.6371 5.9581 5.9615 k = 0.0000 0.3041 0.3093 ( 4917 PWs) bands (ev): -39.2605 -39.2605 -39.2561 -39.2561 -20.2545 -20.2502 -20.2191 -20.2155 -18.8780 -18.8749 -18.8162 -18.8114 -18.7533 -18.7446 -18.7345 -18.7251 -9.6140 -9.6105 -8.9993 -8.9942 -0.5720 -0.5701 -0.2643 -0.2452 0.3379 0.3568 0.8801 0.9111 1.1117 1.1193 1.4880 1.5293 3.8414 3.8564 4.2018 4.2018 4.4394 4.4641 5.6479 5.6489 5.9586 5.9602 k = 0.0000 0.3295 0.3350 ( 4917 PWs) bands (ev): -39.2602 -39.2602 -39.2559 -39.2559 -20.2556 -20.2510 -20.2208 -20.2170 -18.8786 -18.8753 -18.8182 -18.8129 -18.7560 -18.7469 -18.7375 -18.7275 -9.5929 -9.5891 -8.9871 -8.9816 -0.5568 -0.5546 -0.3200 -0.3016 0.2898 0.3087 0.7819 0.8082 1.1249 1.1323 1.4507 1.4878 3.9281 3.9436 4.2255 4.2257 4.5174 4.5426 5.6606 5.6617 5.9661 5.9663 k = 0.0000 0.3548 0.3608 ( 4917 PWs) bands (ev): -39.2599 -39.2599 -39.2556 -39.2556 -20.2567 -20.2519 -20.2226 -20.2186 -18.8793 -18.8758 -18.8203 -18.8146 -18.7589 -18.7493 -18.7406 -18.7300 -9.5708 -9.5667 -8.9746 -8.9687 -0.5415 -0.5390 -0.3729 -0.3551 0.2411 0.2600 0.6830 0.7054 1.1331 1.1400 1.4134 1.4468 4.0171 4.0330 4.2504 4.2507 4.5990 4.6248 5.6746 5.6757 5.9786 5.9805 k = 0.0000 0.3802 0.3866 ( 4911 PWs) bands (ev): -39.2595 -39.2595 -39.2554 -39.2554 -20.2579 -20.2528 -20.2245 -20.2202 -18.8799 -18.8762 -18.8224 -18.8164 -18.7618 -18.7518 -18.7438 -18.7327 -9.5476 -9.5432 -8.9620 -8.9557 -0.5265 -0.5236 -0.4224 -0.4054 0.1921 0.2110 0.5851 0.6039 1.1361 1.1423 1.3764 1.4064 4.1079 4.1241 4.2765 4.2770 4.6835 4.7099 5.6904 5.6915 5.9967 6.0003 k = 0.0000 0.4055 0.4124 ( 4914 PWs) bands (ev): -39.2591 -39.2591 -39.2551 -39.2551 -20.2591 -20.2538 -20.2265 -20.2220 -18.8805 -18.8767 -18.8247 -18.8184 -18.7649 -18.7545 -18.7471 -18.7355 -9.5237 -9.5190 -8.9495 -8.9428 -0.5126 -0.5094 -0.4682 -0.4520 0.1430 0.1618 0.4896 0.5051 1.1341 1.1397 1.3400 1.3671 4.1994 4.2158 4.3039 4.3044 4.7702 4.7974 5.7082 5.7089 6.0194 6.0249 k = 0.0000 0.4309 0.4381 ( 4914 PWs) bands (ev): -39.2588 -39.2588 -39.2548 -39.2548 -20.2603 -20.2548 -20.2285 -20.2239 -18.8812 -18.8772 -18.8271 -18.8204 -18.7680 -18.7573 -18.7505 -18.7384 -9.4991 -9.4941 -8.9372 -8.9301 -0.5128 -0.5033 -0.4944 -0.4923 0.0940 0.1128 0.3983 0.4107 1.1275 1.1323 1.3046 1.3289 4.2908 4.3072 4.3325 4.3330 4.8584 4.8865 5.7280 5.7282 6.0457 6.0531 k = 0.0000 0.4562 0.4639 ( 4916 PWs) bands (ev): -39.2584 -39.2584 -39.2546 -39.2546 -20.2616 -20.2558 -20.2306 -20.2258 -18.8818 -18.8777 -18.8295 -18.8225 -18.7711 -18.7601 -18.7539 -18.7415 -9.4739 -9.4686 -8.9252 -8.9177 -0.5501 -0.5353 -0.4907 -0.4861 0.0455 0.0642 0.3131 0.3227 1.1166 1.1205 1.2701 1.2920 4.3618 4.3625 4.3811 4.3975 4.9475 4.9765 5.7492 5.7496 6.0743 6.0841 k = 0.0000 0.4815 0.4897 ( 4922 PWs) bands (ev): -39.2580 -39.2580 -39.2543 -39.2543 -20.2628 -20.2569 -20.2327 -20.2278 -18.8824 -18.8781 -18.8321 -18.8246 -18.7743 -18.7631 -18.7574 -18.7446 -9.4484 -9.4428 -8.9137 -8.9058 -0.5841 -0.5699 -0.4873 -0.4818 -0.0025 0.0161 0.2364 0.2434 1.1017 1.1049 1.2368 1.2566 4.3923 4.3930 4.4689 4.4850 5.0367 5.0666 5.7718 5.7729 6.1038 6.1167 k = 0.0000 0.5069 0.5154 ( 4922 PWs) bands (ev): -39.2575 -39.2575 -39.2540 -39.2540 -20.2641 -20.2580 -20.2349 -20.2299 -18.8829 -18.8786 -18.8346 -18.8269 -18.7775 -18.7662 -18.7609 -18.7478 -9.4226 -9.4168 -8.9028 -8.8946 -0.6138 -0.6003 -0.4911 -0.4849 -0.0497 -0.0313 0.1711 0.1756 1.0835 1.0860 1.2048 1.2226 4.4236 4.4243 4.5529 4.5685 5.1253 5.1560 5.7960 5.7980 6.1322 6.1482 k = 0.0000 0.5322 0.5412 ( 4926 PWs) bands (ev): -39.2571 -39.2571 -39.2537 -39.2537 -20.2654 -20.2592 -20.2371 -20.2320 -18.8835 -18.8790 -18.8372 -18.8292 -18.7807 -18.7693 -18.7645 -18.7511 -9.3967 -9.3906 -8.8928 -8.8842 -0.6389 -0.6262 -0.5047 -0.4979 -0.0961 -0.0779 0.1199 0.1222 1.0623 1.0641 1.1741 1.1903 4.4555 4.4562 4.6317 4.6465 5.2123 5.2439 5.8223 5.8249 6.1553 6.1563 k = 0.0000 0.5576 0.5670 ( 4918 PWs) bands (ev): -39.2566 -39.2566 -39.2533 -39.2533 -20.2667 -20.2604 -20.2393 -20.2342 -18.8840 -18.8795 -18.8399 -18.8315 -18.7839 -18.7725 -18.7680 -18.7544 -9.3710 -9.3646 -8.8837 -8.8747 -0.6593 -0.6472 -0.5297 -0.5225 -0.1416 -0.1235 0.0846 0.0853 1.0387 1.0400 1.1447 1.1595 4.4879 4.4886 4.7038 4.7174 5.2970 5.3291 5.8509 5.8542 6.1617 6.1754 k = 0.0000 0.5829 0.5928 ( 4918 PWs) bands (ev): -39.2562 -39.2562 -39.2530 -39.2530 -20.2679 -20.2616 -20.2415 -20.2364 -18.8844 -18.8799 -18.8425 -18.8338 -18.7871 -18.7758 -18.7715 -18.7578 -9.3455 -9.3388 -8.8756 -8.8663 -0.6748 -0.6633 -0.5658 -0.5588 -0.1860 -0.1680 0.0653 0.0656 1.0131 1.0139 1.1166 1.1303 4.5204 4.5211 4.7676 4.7798 5.3781 5.4106 5.8823 5.8860 6.1720 6.1941 k = 0.0000 0.6083 0.6185 ( 4914 PWs) bands (ev): -39.2557 -39.2557 -39.2527 -39.2527 -20.2692 -20.2628 -20.2437 -20.2386 -18.8848 -18.8803 -18.8452 -18.8362 -18.7903 -18.7791 -18.7750 -18.7612 -9.3203 -9.3134 -8.8686 -8.8591 -0.6852 -0.6744 -0.6112 -0.6047 -0.2292 -0.2114 0.0602 0.0611 0.9860 0.9865 1.0899 1.1026 4.5529 4.5536 4.8220 4.8324 5.4547 5.4871 5.9163 5.9203 6.1860 6.2143 k = 0.0000 0.6336 0.6443 ( 4910 PWs) bands (ev): -39.2552 -39.2552 -39.2524 -39.2523 -20.2704 -20.2640 -20.2459 -20.2408 -18.8852 -18.8806 -18.8478 -18.8386 -18.7934 -18.7824 -18.7785 -18.7646 -9.2957 -9.2886 -8.8629 -8.8532 -0.6908 -0.6807 -0.6626 -0.6571 -0.2712 -0.2536 0.0674 0.0684 0.9578 0.9580 1.0646 1.0766 4.5851 4.5857 4.8663 4.8748 5.5254 5.5572 5.9513 5.9555 6.2037 6.2364 k = 0.0000 0.6590 0.6701 ( 4910 PWs) bands (ev): -39.2547 -39.2547 -39.2520 -39.2520 -20.2717 -20.2653 -20.2481 -20.2431 -18.8855 -18.8810 -18.8504 -18.8409 -18.7965 -18.7858 -18.7819 -18.7681 -9.2717 -9.2644 -8.8586 -8.8486 -0.7187 -0.7144 -0.6898 -0.6805 -0.3119 -0.2943 0.0838 0.0846 0.9288 0.9289 1.0408 1.0521 4.6165 4.6171 4.9005 4.9070 5.5891 5.6195 5.9848 5.9888 6.2262 6.2610 k = 0.0000 0.6843 0.6959 ( 4908 PWs) bands (ev): -39.2543 -39.2543 -39.2517 -39.2517 -20.2728 -20.2665 -20.2503 -20.2453 -18.8858 -18.8813 -18.8530 -18.8432 -18.7996 -18.7892 -18.7852 -18.7715 -9.2486 -9.2411 -8.8556 -8.8454 -0.7748 -0.7712 -0.6853 -0.6762 -0.3510 -0.3335 0.1069 0.1075 0.8992 0.8996 1.0184 1.0292 4.6468 4.6473 4.9251 4.9295 5.6444 5.6728 6.0127 6.0161 6.2552 6.2894 k = 0.0000 0.7097 0.7216 ( 4896 PWs) bands (ev): -39.2538 -39.2538 -39.2513 -39.2513 -20.2740 -20.2678 -20.2524 -20.2476 -18.8860 -18.8815 -18.8555 -18.8455 -18.8026 -18.7926 -18.7885 -18.7750 -9.2264 -9.2187 -8.8540 -8.8437 -0.8302 -0.8276 -0.6756 -0.6667 -0.3886 -0.3710 0.1351 0.1352 0.8696 0.8701 0.9975 1.0079 4.6755 4.6760 4.9410 4.9436 5.6904 5.7160 6.0317 6.0337 6.2917 6.3226 k = 0.0000 0.7350 0.7474 ( 4898 PWs) bands (ev): -39.2533 -39.2533 -39.2510 -39.2510 -20.2751 -20.2690 -20.2545 -20.2498 -18.8862 -18.8818 -18.8578 -18.8477 -18.8056 -18.7960 -18.7917 -18.7784 -9.2052 -9.1973 -8.8540 -8.8434 -0.8836 -0.8818 -0.6613 -0.6525 -0.4241 -0.4062 0.1664 0.1667 0.8400 0.8407 0.9782 0.9883 4.7021 4.7025 4.9496 4.9505 5.7264 5.7487 6.0404 6.0406 6.3343 6.3598 k = 0.0000 0.7603 0.7732 ( 4900 PWs) bands (ev): -39.2528 -39.2528 -39.2506 -39.2506 -20.2762 -20.2703 -20.2566 -20.2521 -18.8863 -18.8820 -18.8601 -18.8499 -18.8085 -18.7994 -18.7949 -18.7818 -9.1852 -9.1771 -8.8553 -8.8447 -0.9338 -0.9330 -0.6434 -0.6344 -0.4567 -0.4385 0.2001 0.2010 0.8109 0.8117 0.9604 0.9702 4.7261 4.7265 4.9516 4.9521 5.7523 5.7712 6.0382 6.0398 6.3797 6.3993 k = 0.0000 0.7857 0.7989 ( 4898 PWs) bands (ev): -39.2523 -39.2523 -39.2503 -39.2503 -20.2773 -20.2716 -20.2585 -20.2543 -18.8864 -18.8823 -18.8623 -18.8520 -18.8114 -18.8028 -18.7980 -18.7852 -9.1663 -9.1582 -8.8582 -8.8474 -0.9804 -0.9804 -0.6239 -0.6146 -0.4845 -0.4658 0.2354 0.2369 0.7823 0.7833 0.9440 0.9538 4.7471 4.7473 4.9482 4.9498 5.7689 5.7844 6.0286 6.0316 6.4249 6.4393 k = 0.0000 0.8110 0.8247 ( 4898 PWs) bands (ev): -39.2518 -39.2518 -39.2499 -39.2499 -20.2782 -20.2728 -20.2604 -20.2564 -18.8864 -18.8825 -18.8642 -18.8539 -18.8142 -18.8061 -18.8010 -18.7885 -9.1488 -9.1406 -8.8624 -8.8517 -1.0235 -1.0228 -0.6080 -0.5998 -0.5007 -0.4830 0.2717 0.2739 0.7544 0.7556 0.9292 0.9389 4.7643 4.7645 4.9412 4.9439 5.7771 5.7895 6.0137 6.0178 6.4684 6.4784 k = 0.0000 0.8364 0.8505 ( 4888 PWs) bands (ev): -39.2513 -39.2513 -39.2496 -39.2496 -20.2792 -20.2741 -20.2623 -20.2586 -18.8864 -18.8828 -18.8660 -18.8558 -18.8169 -18.8094 -18.8040 -18.7918 -9.1326 -9.1243 -8.8680 -8.8573 -1.0621 -1.0607 -0.6050 -0.6019 -0.4937 -0.4810 0.3084 0.3113 0.7275 0.7288 0.9158 0.9256 4.7776 4.7776 4.9317 4.9351 5.7784 5.7882 5.9951 5.9998 6.5092 6.5148 k = 0.0000 0.8617 0.8763 ( 4892 PWs) bands (ev): -39.2509 -39.2509 -39.2493 -39.2493 -20.2801 -20.2753 -20.2640 -20.2607 -18.8864 -18.8832 -18.8676 -18.8575 -18.8196 -18.8127 -18.8069 -18.7951 -9.1179 -9.1095 -8.8749 -8.8642 -1.0959 -1.0938 -0.6199 -0.6178 -0.4647 -0.4571 0.3448 0.3487 0.7016 0.7031 0.9039 0.9139 4.7863 4.7865 4.9203 4.9244 5.7741 5.7818 5.9738 5.9789 6.5352 6.5407 k = 0.0000 0.8871 0.9020 ( 4898 PWs) bands (ev): -39.2504 -39.2504 -39.2490 -39.2490 -20.2809 -20.2766 -20.2657 -20.2627 -18.8863 -18.8836 -18.8690 -18.8591 -18.8222 -18.8158 -18.8098 -18.7983 -9.1045 -9.0961 -8.8830 -8.8724 -1.1247 -1.1221 -0.6438 -0.6389 -0.4239 -0.4191 0.3805 0.3854 0.6770 0.6785 0.8933 0.9036 4.7905 4.7909 4.9077 4.9123 5.7655 5.7716 5.9507 5.9561 6.5265 6.5326 k = 0.0000 0.9124 0.9278 ( 4892 PWs) bands (ev): -39.2500 -39.2500 -39.2486 -39.2486 -20.2817 -20.2778 -20.2672 -20.2647 -18.8863 -18.8840 -18.8700 -18.8605 -18.8248 -18.8190 -18.8126 -18.8014 -9.0925 -9.0842 -8.8923 -8.8817 -1.1486 -1.1455 -0.6691 -0.6629 -0.3761 -0.3727 0.4149 0.4210 0.6536 0.6554 0.8841 0.8948 4.7904 4.7910 4.8942 4.8993 5.7538 5.7587 5.9265 5.9320 6.5157 6.5209 k = 0.0000 0.9378 0.9536 ( 4894 PWs) bands (ev): -39.2495 -39.2495 -39.2483 -39.2483 -20.2825 -20.2790 -20.2687 -20.2666 -18.8862 -18.8846 -18.8709 -18.8618 -18.8273 -18.8220 -18.8153 -18.8045 -9.0820 -9.0737 -8.9025 -8.8921 -1.1675 -1.1640 -0.6943 -0.6875 -0.3232 -0.3206 0.4475 0.4549 0.6317 0.6338 0.8761 0.8874 4.7864 4.7873 4.8804 4.8858 5.7398 5.7438 5.9018 5.9073 6.5090 6.5136 k = 0.0000 0.9631 0.9793 ( 4898 PWs) bands (ev): -39.2491 -39.2491 -39.2480 -39.2480 -20.2832 -20.2802 -20.2701 -20.2685 -18.8861 -18.8852 -18.8714 -18.8629 -18.8297 -18.8250 -18.8179 -18.8075 -9.0728 -9.0646 -8.9136 -8.9034 -1.1815 -1.1776 -0.7188 -0.7118 -0.2662 -0.2640 0.4776 0.4869 0.6113 0.6140 0.8694 0.8813 4.7790 4.7802 4.8664 4.8722 5.7243 5.7278 5.8770 5.8825 6.5076 6.5117 k = 0.0000 0.9884 1.0051 ( 4894 PWs) bands (ev): -39.2487 -39.2487 -39.2477 -39.2477 -20.2838 -20.2813 -20.2715 -20.2703 -18.8861 -18.8857 -18.8717 -18.8639 -18.8320 -18.8279 -18.8204 -18.8105 -9.0650 -9.0569 -8.9255 -8.9155 -1.1907 -1.1864 -0.7424 -0.7353 -0.2059 -0.2041 0.5045 0.5162 0.5927 0.5965 0.8638 0.8764 4.7693 4.7707 4.8526 4.8586 5.7079 5.7110 5.8525 5.8579 6.5118 6.5154 k = 0.0000 1.0138 1.0309 ( 4906 PWs) bands (ev): -39.2483 -39.2483 -39.2474 -39.2474 -20.2844 -20.2825 -20.2728 -20.2720 -18.8866 -18.8858 -18.8719 -18.8647 -18.8343 -18.8308 -18.8229 -18.8133 -9.0584 -9.0505 -8.9379 -8.9282 -1.1952 -1.1907 -0.7649 -0.7579 -0.1430 -0.1415 0.5267 0.5427 0.5761 0.5826 0.8593 0.8726 4.7581 4.7599 4.8390 4.8452 5.6909 5.6937 5.8287 5.8340 6.5214 6.5245 k = 0.0000 1.0391 1.0567 ( 4914 PWs) bands (ev): -39.2479 -39.2479 -39.2471 -39.2471 -20.2849 -20.2835 -20.2741 -20.2735 -18.8873 -18.8857 -18.8718 -18.8653 -18.8364 -18.8335 -18.8253 -18.8161 -9.0531 -9.0454 -8.9508 -8.9414 -1.1953 -1.1904 -0.7862 -0.7794 -0.0784 -0.0771 0.5397 0.5614 0.5663 0.5770 0.8556 0.8698 4.7467 4.7488 4.8259 4.8323 5.6738 5.6764 5.8058 5.8110 6.5358 6.5385 k = 0.0000 1.0645 1.0824 ( 4906 PWs) bands (ev): -39.2476 -39.2476 -39.2468 -39.2468 -20.2855 -20.2845 -20.2756 -20.2747 -18.8879 -18.8856 -18.8716 -18.8658 -18.8385 -18.8362 -18.8276 -18.8188 -9.0489 -9.0414 -8.9641 -8.9550 -1.1911 -1.1860 -0.8064 -0.7998 -0.0129 -0.0120 0.5390 0.5498 0.5841 0.5858 0.8526 0.8675 4.7360 4.7384 4.8135 4.8199 5.6567 5.6592 5.7842 5.7893 6.5543 6.5566 k = 0.0000 1.0898 1.1082 ( 4902 PWs) bands (ev): -39.2473 -39.2472 -39.2465 -39.2465 -20.2860 -20.2854 -20.2771 -20.2758 -18.8885 -18.8855 -18.8713 -18.8660 -18.8406 -18.8388 -18.8297 -18.8214 -9.0457 -9.0384 -8.9775 -8.9688 -1.1829 -1.1777 -0.8254 -0.8191 0.0523 0.0527 0.5333 0.5412 0.5959 0.6020 0.8501 0.8656 4.7273 4.7299 4.8016 4.8081 5.6399 5.6423 5.7641 5.7689 6.5761 6.5781 k = 0.0000 1.1152 1.1340 ( 4902 PWs) bands (ev): -39.2469 -39.2469 -39.2462 -39.2462 -20.2867 -20.2859 -20.2786 -20.2768 -18.8890 -18.8854 -18.8710 -18.8662 -18.8425 -18.8413 -18.8318 -18.8239 -9.0434 -9.0365 -8.9909 -8.9826 -1.1710 -1.1657 -0.8432 -0.8372 0.1153 0.1154 0.5294 0.5368 0.6066 0.6146 0.8479 0.8638 4.7213 4.7241 4.7906 4.7970 5.6236 5.6259 5.7457 5.7503 6.6004 6.6021 k = 0.0000 1.1405 1.1598 ( 4904 PWs) bands (ev): -39.2467 -39.2467 -39.2459 -39.2459 -20.2876 -20.2863 -20.2799 -20.2777 -18.8894 -18.8854 -18.8705 -18.8662 -18.8444 -18.8437 -18.8338 -18.8264 -9.0420 -9.0354 -9.0042 -8.9963 -1.1558 -1.1505 -0.8598 -0.8541 0.1736 0.1745 0.5300 0.5381 0.6150 0.6238 0.8457 0.8618 4.7187 4.7216 4.7803 4.7865 5.6079 5.6101 5.7292 5.7335 6.6264 6.6278 k = 0.0000 1.1659 1.1855 ( 4890 PWs) bands (ev): -39.2464 -39.2464 -39.2456 -39.2456 -20.2883 -20.2866 -20.2812 -20.2785 -18.8897 -18.8853 -18.8700 -18.8660 -18.8461 -18.8460 -18.8357 -18.8287 -9.0414 -9.0351 -9.0171 -9.0097 -1.1377 -1.1324 -0.8752 -0.8699 0.2248 0.2266 0.5371 0.5468 0.6214 0.6298 0.8434 0.8594 4.7200 4.7230 4.7708 4.7768 5.5930 5.5950 5.7146 5.7186 6.6533 6.6544 k = 0.0000 1.1912 1.2113 ( 4886 PWs) bands (ev): -39.2462 -39.2461 -39.2454 -39.2454 -20.2891 -20.2869 -20.2825 -20.2793 -18.8899 -18.8852 -18.8695 -18.8658 -18.8482 -18.8478 -18.8375 -18.8309 -9.0414 -9.0360 -9.0291 -9.0226 -1.1171 -1.1118 -0.8894 -0.8845 0.2660 0.2686 0.5520 0.5643 0.6271 0.6336 0.8409 0.8565 4.7255 4.7284 4.7622 4.7678 5.5789 5.5808 5.7022 5.7059 6.6803 6.6812 k = 0.0000 1.2165 1.2371 ( 4886 PWs) bands (ev): -39.2459 -39.2459 -39.2451 -39.2451 -20.2897 -20.2871 -20.2836 -20.2800 -18.8899 -18.8852 -18.8689 -18.8654 -18.8503 -18.8494 -18.8392 -18.8331 -9.0431 -9.0426 -9.0350 -9.0343 -1.0945 -1.0894 -0.9024 -0.8978 0.2957 0.2988 0.5718 0.5885 0.6362 0.6384 0.8383 0.8531 4.7351 4.7375 4.7548 4.7595 5.5657 5.5675 5.6919 5.6953 6.7070 6.7076 k = 0.0000 1.2419 1.2628 ( 4882 PWs) bands (ev): -39.2457 -39.2457 -39.2449 -39.2449 -20.2903 -20.2873 -20.2846 -20.2807 -18.8899 -18.8851 -18.8683 -18.8650 -18.8522 -18.8509 -18.8408 -18.8351 -9.0541 -9.0491 -9.0406 -9.0365 -1.0705 -1.0655 -0.9142 -0.9101 0.3148 0.3180 0.5859 0.6054 0.6565 0.6577 0.8356 0.8493 4.7440 4.7485 4.7521 4.7545 5.5535 5.5551 5.6838 5.6868 6.7326 6.7331 k = 0.0000 1.2672 1.2886 ( 4870 PWs) bands (ev): -39.2456 -39.2456 -39.2447 -39.2447 -20.2908 -20.2875 -20.2854 -20.2814 -18.8898 -18.8851 -18.8678 -18.8645 -18.8541 -18.8523 -18.8422 -18.8370 -9.0647 -9.0596 -9.0423 -9.0381 -1.0456 -1.0408 -0.9249 -0.9211 0.3259 0.3289 0.5884 0.6056 0.6941 0.6945 0.8331 0.8455 4.7392 4.7450 4.7656 4.7696 5.5424 5.5438 5.6779 5.6805 6.7568 6.7572 k = 0.0000 1.2926 1.3144 ( 4860 PWs) bands (ev): -39.2454 -39.2454 -39.2445 -39.2444 -20.2912 -20.2879 -20.2861 -20.2820 -18.8896 -18.8850 -18.8672 -18.8640 -18.8557 -18.8535 -18.8435 -18.8389 -9.0745 -9.0698 -9.0437 -9.0397 -1.0205 -1.0159 -0.9344 -0.9309 0.3319 0.3345 0.5838 0.5985 0.7383 0.7385 0.8311 0.8417 4.7338 4.7388 4.7851 4.7888 5.5323 5.5336 5.6739 5.6762 6.7792 6.7794 k = 0.0000 1.3179 1.3402 ( 4864 PWs) bands (ev): -39.2453 -39.2453 -39.2443 -39.2443 -20.2916 -20.2884 -20.2864 -20.2826 -18.8894 -18.8850 -18.8667 -18.8634 -18.8573 -18.8547 -18.8447 -18.8406 -9.0834 -9.0792 -9.0450 -9.0414 -0.9959 -0.9915 -0.9427 -0.9396 0.3347 0.3370 0.5758 0.5883 0.7823 0.7829 0.8307 0.8387 4.7289 4.7333 4.8064 4.8097 5.5234 5.5246 5.6718 5.6736 6.7995 6.7995 k = 0.0000 1.3433 1.3659 ( 4872 PWs) bands (ev): -39.2451 -39.2451 -39.2442 -39.2442 -20.2918 -20.2890 -20.2865 -20.2831 -18.8890 -18.8850 -18.8661 -18.8628 -18.8586 -18.8557 -18.8458 -18.8421 -9.0912 -9.0876 -9.0463 -9.0432 -0.9726 -0.9684 -0.9499 -0.9469 0.3357 0.3376 0.5660 0.5766 0.8141 0.8209 0.8403 0.8405 4.7247 4.7285 4.8283 4.8313 5.5156 5.5166 5.6711 5.6726 6.8171 6.8174 k = 0.0000 1.3686 1.3917 ( 4868 PWs) bands (ev): -39.2450 -39.2450 -39.2440 -39.2440 -20.2920 -20.2896 -20.2865 -20.2836 -18.8886 -18.8851 -18.8657 -18.8624 -18.8596 -18.8565 -18.8467 -18.8436 -9.0979 -9.0948 -9.0474 -9.0448 -0.9562 -0.9561 -0.9481 -0.9471 0.3357 0.3373 0.5557 0.5644 0.8201 0.8282 0.8693 0.8718 4.7211 4.7244 4.8497 4.8524 5.5091 5.5099 5.6716 5.6728 6.8320 6.8327 k = 0.0000 1.3940 1.4175 ( 4880 PWs) bands (ev): -39.2450 -39.2450 -39.2439 -39.2439 -20.2921 -20.2901 -20.2864 -20.2841 -18.8882 -18.8852 -18.8653 -18.8623 -18.8602 -18.8572 -18.8474 -18.8449 -9.1034 -9.1009 -9.0484 -9.0463 -0.9609 -0.9596 -0.9309 -0.9286 0.3354 0.3366 0.5459 0.5527 0.8205 0.8267 0.9019 0.9038 4.7183 4.7209 4.8694 4.8717 5.5037 5.5044 5.6729 5.6738 6.8438 6.8450 k = 0.0000 1.4193 1.4432 ( 4880 PWs) bands (ev): -39.2449 -39.2449 -39.2439 -39.2439 -20.2922 -20.2907 -20.2862 -20.2845 -18.8877 -18.8854 -18.8649 -18.8626 -18.8601 -18.8578 -18.8480 -18.8460 -9.1076 -9.1058 -9.0491 -9.0475 -0.9646 -0.9636 -0.9154 -0.9135 0.3349 0.3358 0.5373 0.5424 0.8204 0.8249 0.9287 0.9301 4.7162 4.7182 4.8863 4.8880 5.4995 5.5000 5.6745 5.6751 6.8514 6.8533 k = 0.0000 1.4446 1.4690 ( 4882 PWs) bands (ev): -39.2449 -39.2449 -39.2438 -39.2438 -20.2921 -20.2911 -20.2860 -20.2849 -18.8873 -18.8857 -18.8646 -18.8631 -18.8598 -18.8583 -18.8483 -18.8470 -9.1106 -9.1094 -9.0496 -9.0485 -0.9672 -0.9665 -0.9036 -0.9024 0.3345 0.3350 0.5309 0.5343 0.8204 0.8233 0.9485 0.9494 4.7148 4.7161 4.8992 4.9004 5.4966 5.4969 5.6760 5.6764 6.8543 6.8559 k = 0.0000 1.4700 1.4948 ( 4878 PWs) bands (ev): -39.2448 -39.2448 -39.2438 -39.2438 -20.2920 -20.2915 -20.2858 -20.2852 -18.8868 -18.8860 -18.8643 -18.8636 -18.8594 -18.8587 -18.8483 -18.8477 -9.1122 -9.1116 -9.0498 -9.0493 -0.9687 -0.9683 -0.8963 -0.8957 0.3342 0.3345 0.5272 0.5288 0.8207 0.8221 0.9606 0.9610 4.7141 4.7147 4.9073 4.9079 5.4949 5.4950 5.6771 5.6773 6.8551 6.8558 k = 0.0000 1.4700 1.4948 ( 4878 PWs) bands (ev): -39.2448 -39.2448 -39.2438 -39.2438 -20.2920 -20.2915 -20.2858 -20.2852 -18.8868 -18.8860 -18.8643 -18.8636 -18.8594 -18.8587 -18.8483 -18.8477 -9.1122 -9.1116 -9.0498 -9.0493 -0.9687 -0.9683 -0.8963 -0.8957 0.3342 0.3345 0.5272 0.5288 0.8207 0.8221 0.9606 0.9610 4.7141 4.7147 4.9073 4.9079 5.4949 5.4950 5.6771 5.6773 6.8551 6.8558 k = 0.0065 1.4341 1.4948 ( 4880 PWs) bands (ev): -39.2449 -39.2449 -39.2438 -39.2438 -20.2920 -20.2912 -20.2859 -20.2849 -18.8871 -18.8858 -18.8645 -18.8632 -18.8596 -18.8584 -18.8483 -18.8472 -9.1113 -9.1102 -9.0495 -9.0486 -0.9686 -0.9680 -0.9006 -0.8995 0.3349 0.3354 0.5292 0.5320 0.8190 0.8215 0.9531 0.9538 4.7136 4.7147 4.9024 4.9034 5.4961 5.4964 5.6767 5.6770 6.8540 6.8553 k = 0.0130 1.3983 1.4948 ( 4878 PWs) bands (ev): -39.2449 -39.2449 -39.2438 -39.2438 -20.2921 -20.2909 -20.2860 -20.2846 -18.8874 -18.8856 -18.8646 -18.8630 -18.8596 -18.8580 -18.8481 -18.8465 -9.1097 -9.1083 -9.0485 -9.0473 -0.9695 -0.9686 -0.9066 -0.9051 0.3370 0.3377 0.5319 0.5359 0.8148 0.8184 0.9419 0.9429 4.7117 4.7133 4.8953 4.8967 5.4983 5.4987 5.6765 5.6770 6.8512 6.8531 k = 0.0195 1.3624 1.4948 ( 4878 PWs) bands (ev): -39.2450 -39.2450 -39.2439 -39.2439 -20.2920 -20.2905 -20.2860 -20.2842 -18.8878 -18.8854 -18.8648 -18.8631 -18.8590 -18.8573 -18.8476 -18.8456 -9.1076 -9.1058 -9.0470 -9.0454 -0.9714 -0.9703 -0.9141 -0.9122 0.3402 0.3411 0.5352 0.5404 0.8081 0.8128 0.9271 0.9285 4.7086 4.7106 4.8866 4.8883 5.5014 5.5019 5.6767 5.6774 6.8464 6.8486 k = 0.0260 1.3265 1.4948 ( 4878 PWs) bands (ev): -39.2451 -39.2451 -39.2440 -39.2440 -20.2919 -20.2901 -20.2859 -20.2837 -18.8882 -18.8853 -18.8651 -18.8636 -18.8578 -18.8564 -18.8470 -18.8445 -9.1050 -9.1027 -9.0449 -9.0429 -0.9743 -0.9730 -0.9231 -0.9208 0.3447 0.3458 0.5389 0.5453 0.7991 0.8049 0.9090 0.9107 4.7045 4.7068 4.8764 4.8784 5.5056 5.5061 5.6775 5.6782 6.8392 6.8411 k = 0.0325 1.2906 1.4948 ( 4871 PWs) bands (ev): -39.2452 -39.2452 -39.2441 -39.2441 -20.2917 -20.2896 -20.2857 -20.2832 -18.8886 -18.8852 -18.8656 -18.8644 -18.8561 -18.8551 -18.8462 -18.8433 -9.1018 -9.0991 -9.0422 -9.0399 -0.9781 -0.9767 -0.9334 -0.9308 0.3502 0.3515 0.5425 0.5502 0.7880 0.7949 0.8878 0.8899 4.6996 4.7023 4.8654 4.8676 5.5107 5.5112 5.6788 5.6797 6.8295 6.8309 k = 0.0390 1.2548 1.4948 ( 4871 PWs) bands (ev): -39.2453 -39.2453 -39.2442 -39.2442 -20.2914 -20.2891 -20.2854 -20.2826 -18.8890 -18.8853 -18.8662 -18.8653 -18.8541 -18.8535 -18.8452 -18.8419 -9.0981 -9.0950 -9.0389 -9.0363 -0.9829 -0.9813 -0.9449 -0.9421 0.3566 0.3581 0.5458 0.5546 0.7752 0.7832 0.8639 0.8662 4.6943 4.6973 4.8539 4.8563 5.5170 5.5175 5.6808 5.6818 6.8175 6.8186 k = 0.0455 1.2189 1.4948 ( 4869 PWs) bands (ev): -39.2455 -39.2455 -39.2444 -39.2444 -20.2911 -20.2885 -20.2851 -20.2820 -18.8894 -18.8853 -18.8671 -18.8664 -18.8519 -18.8515 -18.8441 -18.8403 -9.0939 -9.0905 -9.0351 -9.0322 -0.9885 -0.9869 -0.9576 -0.9546 0.3638 0.3655 0.5481 0.5580 0.7611 0.7700 0.8377 0.8402 4.6889 4.6922 4.8424 4.8450 5.5243 5.5247 5.6837 5.6848 6.8036 6.8044 k = 0.0519 1.1830 1.4948 ( 4863 PWs) bands (ev): -39.2456 -39.2456 -39.2446 -39.2446 -20.2907 -20.2880 -20.2846 -20.2813 -18.8899 -18.8855 -18.8681 -18.8675 -18.8494 -18.8491 -18.8426 -18.8385 -9.0892 -9.0854 -9.0308 -9.0276 -0.9949 -0.9935 -0.9711 -0.9682 0.3716 0.3735 0.5488 0.5597 0.7461 0.7556 0.8101 0.8126 4.6838 4.6873 4.8315 4.8341 5.5328 5.5331 5.6874 5.6886 6.7881 6.7886 k = 0.0584 1.1472 1.4948 ( 4867 PWs) bands (ev): -39.2458 -39.2458 -39.2448 -39.2448 -20.2903 -20.2874 -20.2841 -20.2805 -18.8904 -18.8857 -18.8692 -18.8687 -18.8469 -18.8464 -18.8410 -18.8365 -9.0841 -9.0800 -9.0261 -9.0225 -1.0021 -1.0011 -0.9854 -0.9828 0.3798 0.3818 0.5472 0.5587 0.7301 0.7391 0.7831 0.7848 4.6794 4.6830 4.8215 4.8242 5.5424 5.5426 5.6920 5.6934 6.7712 6.7714 k = 0.0649 1.1113 1.4948 ( 4875 PWs) bands (ev): -39.2460 -39.2460 -39.2450 -39.2450 -20.2898 -20.2867 -20.2835 -20.2798 -18.8910 -18.8861 -18.8704 -18.8700 -18.8441 -18.8434 -18.8391 -18.8343 -9.0785 -9.0741 -9.0209 -9.0171 -1.0103 -1.0101 -0.9996 -0.9982 0.3881 0.3904 0.5427 0.5543 0.7118 0.7179 0.7593 0.7602 4.6760 4.6798 4.8130 4.8157 5.5531 5.5531 5.6976 5.6990 6.7531 6.7532 k = 0.0714 1.0754 1.4948 ( 4877 PWs) bands (ev): -39.2462 -39.2462 -39.2452 -39.2452 -20.2892 -20.2861 -20.2829 -20.2790 -18.8916 -18.8866 -18.8717 -18.8713 -18.8412 -18.8402 -18.8370 -18.8320 -9.0726 -9.0679 -9.0152 -9.0112 -1.0227 -1.0193 -1.0138 -1.0121 0.3963 0.3988 0.5346 0.5458 0.6879 0.6901 0.7406 0.7447 4.6740 4.6778 4.8062 4.8089 5.5647 5.5649 5.7042 5.7057 6.7340 6.7340 k = 0.0779 1.0396 1.4948 ( 4873 PWs) bands (ev): -39.2465 -39.2465 -39.2455 -39.2455 -20.2886 -20.2854 -20.2822 -20.2782 -18.8922 -18.8871 -18.8731 -18.8727 -18.8380 -18.8369 -18.8346 -18.8294 -9.0663 -9.0613 -9.0092 -9.0050 -1.0382 -1.0329 -1.0263 -1.0227 0.4039 0.4067 0.5230 0.5333 0.6575 0.6582 0.7297 0.7353 4.6736 4.6775 4.8015 4.8041 5.5773 5.5777 5.7117 5.7132 6.7141 6.7142 k = 0.0844 1.0037 1.4948 ( 4883 PWs) bands (ev): -39.2467 -39.2467 -39.2457 -39.2457 -20.2879 -20.2848 -20.2815 -20.2774 -18.8929 -18.8878 -18.8745 -18.8741 -18.8347 -18.8335 -18.8320 -18.8267 -9.0597 -9.0544 -9.0029 -8.9985 -1.0553 -1.0501 -1.0365 -1.0330 0.4104 0.4136 0.5085 0.5175 0.6227 0.6250 0.7242 0.7298 4.6751 4.6790 4.7993 4.8018 5.5909 5.5915 5.7202 5.7217 6.6937 6.6939 k = 0.0909 0.9678 1.4948 ( 4883 PWs) bands (ev): -39.2470 -39.2470 -39.2460 -39.2460 -20.2872 -20.2841 -20.2807 -20.2766 -18.8937 -18.8886 -18.8760 -18.8756 -18.8313 -18.8301 -18.8289 -18.8237 -9.0528 -9.0473 -8.9963 -8.9917 -1.0732 -1.0682 -1.0468 -1.0435 0.4150 0.4185 0.4920 0.4996 0.5872 0.5908 0.7220 0.7267 4.6788 4.6827 4.7996 4.8020 5.6054 5.6062 5.7295 5.7310 6.6731 6.6734 k = 0.0974 0.9320 1.4948 ( 4881 PWs) bands (ev): -39.2472 -39.2472 -39.2463 -39.2463 -20.2865 -20.2834 -20.2799 -20.2758 -18.8945 -18.8894 -18.8776 -18.8771 -18.8277 -18.8269 -18.8254 -18.8206 -9.0456 -9.0400 -8.9894 -8.9846 -1.0917 -1.0868 -1.0575 -1.0544 0.4158 0.4197 0.4755 0.4815 0.5525 0.5571 0.7214 0.7252 4.6848 4.6887 4.8026 4.8049 5.6208 5.6217 5.7396 5.7411 6.6524 6.6528 k = 0.1039 0.8961 1.4948 ( 4883 PWs) bands (ev): -39.2475 -39.2475 -39.2466 -39.2466 -20.2857 -20.2826 -20.2791 -20.2750 -18.8954 -18.8903 -18.8791 -18.8787 -18.8241 -18.8236 -18.8216 -18.8174 -9.0383 -9.0325 -8.9823 -8.9774 -1.1106 -1.1059 -1.0687 -1.0657 0.4104 0.4140 0.4610 0.4648 0.5207 0.5263 0.7217 0.7244 4.6933 4.6971 4.8085 4.8106 5.6368 5.6381 5.7504 5.7520 6.6320 6.6324 k = 0.1104 0.8602 1.4948 ( 4884 PWs) bands (ev): -39.2478 -39.2478 -39.2469 -39.2469 -20.2849 -20.2819 -20.2783 -20.2742 -18.8963 -18.8913 -18.8807 -18.8802 -18.8205 -18.8200 -18.8177 -18.8140 -9.0308 -9.0248 -8.9750 -8.9701 -1.1299 -1.1254 -1.0804 -1.0776 0.3972 0.4002 0.4459 0.4475 0.4967 0.5030 0.7221 0.7239 4.7043 4.7081 4.8173 4.8192 5.6536 5.6551 5.7619 5.7634 6.6119 6.6124 k = 0.1169 0.8243 1.4948 ( 4886 PWs) bands (ev): -39.2481 -39.2481 -39.2472 -39.2472 -20.2841 -20.2812 -20.2775 -20.2735 -18.8972 -18.8924 -18.8824 -18.8818 -18.8170 -18.8163 -18.8137 -18.8105 -9.0231 -9.0171 -8.9676 -8.9627 -1.1494 -1.1451 -1.0925 -1.0898 0.3785 0.3811 0.4230 0.4244 0.4856 0.4909 0.7221 0.7231 4.7180 4.7217 4.8289 4.8307 5.6710 5.6727 5.7740 5.7755 6.5925 6.5931 k = 0.1234 0.7885 1.4948 ( 4884 PWs) bands (ev): -39.2484 -39.2484 -39.2474 -39.2474 -20.2833 -20.2804 -20.2768 -20.2727 -18.8982 -18.8935 -18.8840 -18.8834 -18.8135 -18.8124 -18.8097 -18.8069 -9.0154 -9.0093 -8.9602 -8.9552 -1.1691 -1.1649 -1.1051 -1.1026 0.3573 0.3598 0.3946 0.3965 0.4829 0.4870 0.7214 0.7217 4.7343 4.7379 4.8433 4.8449 5.6889 5.6909 5.7867 5.7881 6.5739 6.5745 k = 0.1299 0.7526 1.4948 ( 4890 PWs) bands (ev): -39.2487 -39.2487 -39.2478 -39.2478 -20.2825 -20.2797 -20.2760 -20.2720 -18.8992 -18.8946 -18.8857 -18.8850 -18.8098 -18.8085 -18.8057 -18.8033 -9.0077 -9.0015 -8.9527 -8.9477 -1.1889 -1.1849 -1.1181 -1.1158 0.3354 0.3381 0.3652 0.3675 0.4830 0.4861 0.7195 0.7199 4.7531 4.7567 4.8604 4.8617 5.7072 5.7095 5.7999 5.8012 6.5562 6.5570 k = 0.1364 0.7167 1.4948 ( 4896 PWs) bands (ev): -39.2490 -39.2490 -39.2481 -39.2481 -20.2816 -20.2789 -20.2753 -20.2713 -18.9002 -18.8957 -18.8873 -18.8866 -18.8062 -18.8046 -18.8017 -18.7996 -8.9999 -8.9938 -8.9453 -8.9403 -1.2086 -1.2049 -1.1316 -1.1294 0.3138 0.3165 0.3370 0.3392 0.4835 0.4862 0.7163 0.7173 4.7745 4.7780 4.8799 4.8810 5.7259 5.7285 5.8136 5.8149 6.5397 6.5406 k = 0.1429 0.6809 1.4948 ( 4902 PWs) bands (ev): -39.2493 -39.2493 -39.2484 -39.2484 -20.2808 -20.2782 -20.2746 -20.2707 -18.9012 -18.8969 -18.8889 -18.8881 -18.8024 -18.8007 -18.7978 -18.7960 -8.9922 -8.9861 -8.9379 -8.9330 -1.2283 -1.2247 -1.1455 -1.1435 0.2931 0.2954 0.3109 0.3126 0.4837 0.4861 0.7121 0.7136 4.7981 4.8016 4.9017 4.9025 5.7449 5.7478 5.8278 5.8290 6.5245 6.5254 k = 0.1494 0.6450 1.4948 ( 4900 PWs) bands (ev): -39.2496 -39.2495 -39.2486 -39.2486 -20.2799 -20.2775 -20.2739 -20.2701 -18.9022 -18.8980 -18.8905 -18.8896 -18.7987 -18.7969 -18.7939 -18.7923 -8.9846 -8.9786 -8.9306 -8.9259 -1.2477 -1.2444 -1.1597 -1.1579 0.2736 0.2749 0.2876 0.2881 0.4833 0.4854 0.7068 0.7088 4.8240 4.8274 4.9253 4.9259 5.7643 5.7675 5.8427 5.8438 6.5107 6.5117 k = 0.1558 0.6091 1.4948 ( 4897 PWs) bands (ev): -39.2498 -39.2498 -39.2489 -39.2489 -20.2791 -20.2767 -20.2732 -20.2696 -18.9031 -18.8992 -18.8921 -18.8911 -18.7951 -18.7931 -18.7901 -18.7887 -8.9771 -8.9712 -8.9235 -8.9189 -1.2669 -1.2637 -1.1743 -1.1726 0.2551 0.2554 0.2660 0.2675 0.4820 0.4841 0.7004 0.7028 4.8517 4.8551 4.9505 4.9509 5.7841 5.7876 5.8583 5.8592 6.4983 6.4994 k = 0.1623 0.5733 1.4948 ( 4903 PWs) bands (ev): -39.2501 -39.2501 -39.2492 -39.2492 -20.2783 -20.2760 -20.2727 -20.2691 -18.9041 -18.9002 -18.8936 -18.8926 -18.7914 -18.7894 -18.7864 -18.7852 -8.9698 -8.9640 -8.9166 -8.9122 -1.2855 -1.2826 -1.1890 -1.1876 0.2366 0.2385 0.2467 0.2502 0.4798 0.4819 0.6929 0.6956 4.8810 4.8844 4.9768 4.9769 5.8043 5.8081 5.8748 5.8755 6.4875 6.4887 k = 0.1688 0.5374 1.4948 ( 4903 PWs) bands (ev): -39.2504 -39.2504 -39.2495 -39.2495 -20.2775 -20.2754 -20.2721 -20.2686 -18.9050 -18.9013 -18.8951 -18.8940 -18.7879 -18.7857 -18.7829 -18.7818 -8.9626 -8.9571 -8.9099 -8.9058 -1.3036 -1.3009 -1.2040 -1.2027 0.2200 0.2231 0.2303 0.2352 0.4768 0.4789 0.6843 0.6874 4.9116 4.9150 5.0037 5.0039 5.8250 5.8291 5.8923 5.8929 6.4782 6.4795 k = 0.1753 0.5015 1.4948 ( 4891 PWs) bands (ev): -39.2506 -39.2506 -39.2497 -39.2497 -20.2767 -20.2747 -20.2716 -20.2682 -18.9058 -18.9023 -18.8966 -18.8953 -18.7844 -18.7822 -18.7795 -18.7786 -8.9558 -8.9504 -8.9036 -8.8997 -1.3210 -1.3185 -1.2190 -1.2178 0.2057 0.2093 0.2164 0.2222 0.4731 0.4752 0.6748 0.6782 4.9431 4.9465 5.0306 5.0310 5.8464 5.8507 5.9111 5.9115 6.4704 6.4718 k = 0.1818 0.4657 1.4948 ( 4891 PWs) bands (ev): -39.2508 -39.2508 -39.2500 -39.2500 -20.2759 -20.2741 -20.2711 -20.2679 -18.9067 -18.9033 -18.8979 -18.8966 -18.7811 -18.7789 -18.7763 -18.7755 -8.9492 -8.9441 -8.8975 -8.8939 -1.3375 -1.3352 -1.2339 -1.2328 0.1939 0.1976 0.2047 0.2110 0.4686 0.4708 0.6645 0.6682 4.9750 4.9784 5.0572 5.0579 5.8686 5.8731 5.9314 5.9317 6.4641 6.4656 k = 0.1883 0.4298 1.4948 ( 4885 PWs) bands (ev): -39.2510 -39.2510 -39.2502 -39.2502 -20.2752 -20.2735 -20.2707 -20.2676 -18.9074 -18.9042 -18.8992 -18.8979 -18.7779 -18.7757 -18.7734 -18.7726 -8.9429 -8.9380 -8.8919 -8.8885 -1.3530 -1.3509 -1.2486 -1.2477 0.1845 0.1880 0.1950 0.2015 0.4637 0.4660 0.6535 0.6574 5.0068 5.0102 5.0829 5.0838 5.8915 5.8962 5.9534 5.9535 6.4591 6.4607 k = 0.1948 0.3939 1.4948 ( 4888 PWs) bands (ev): -39.2512 -39.2512 -39.2504 -39.2504 -20.2744 -20.2730 -20.2703 -20.2674 -18.9081 -18.9050 -18.9005 -18.8990 -18.7749 -18.7727 -18.7706 -18.7698 -8.9369 -8.9324 -8.8866 -8.8836 -1.3673 -1.3655 -1.2629 -1.2621 0.1774 0.1804 0.1871 0.1936 0.4584 0.4608 0.6419 0.6461 5.0381 5.0415 5.1072 5.1084 5.9154 5.9202 5.9774 5.9775 6.4553 6.4569 k = 0.2013 0.3580 1.4948 ( 4889 PWs) bands (ev): -39.2514 -39.2514 -39.2506 -39.2506 -20.2738 -20.2724 -20.2700 -20.2672 -18.9087 -18.9057 -18.9016 -18.9001 -18.7721 -18.7699 -18.7681 -18.7674 -8.9314 -8.9272 -8.8818 -8.8791 -1.3804 -1.3787 -1.2768 -1.2761 0.1724 0.1746 0.1809 0.1871 0.4529 0.4555 0.6300 0.6345 5.0684 5.0718 5.1297 5.1311 5.9400 5.9448 6.0036 6.0038 6.4524 6.4539 k = 0.2078 0.3222 1.4948 ( 4890 PWs) bands (ev): -39.2516 -39.2516 -39.2508 -39.2508 -20.2731 -20.2720 -20.2697 -20.2671 -18.9093 -18.9064 -18.9027 -18.9011 -18.7696 -18.7673 -18.7658 -18.7651 -8.9262 -8.9223 -8.8774 -8.8752 -1.3920 -1.3906 -1.2900 -1.2894 0.1691 0.1702 0.1764 0.1819 0.4475 0.4503 0.6180 0.6226 5.0971 5.1005 5.1498 5.1514 5.9651 5.9698 6.0322 6.0327 6.4500 6.4513 k = 0.2143 0.2863 1.4948 ( 4890 PWs) bands (ev): -39.2518 -39.2517 -39.2509 -39.2509 -20.2725 -20.2716 -20.2694 -20.2670 -18.9097 -18.9070 -18.9037 -18.9020 -18.7672 -18.7650 -18.7638 -18.7631 -8.9214 -8.9180 -8.8735 -8.8717 -1.4021 -1.4008 -1.3025 -1.3020 0.1665 0.1673 0.1738 0.1781 0.4425 0.4455 0.6059 0.6108 5.1239 5.1273 5.1673 5.1691 5.9900 5.9945 6.0636 6.0642 6.4475 6.4486 k = 0.2208 0.2504 1.4948 ( 4888 PWs) bands (ev): -39.2519 -39.2519 -39.2511 -39.2511 -20.2719 -20.2712 -20.2692 -20.2670 -18.9101 -18.9075 -18.9045 -18.9028 -18.7652 -18.7629 -18.7621 -18.7614 -8.9171 -8.9141 -8.8702 -8.8688 -1.4106 -1.4094 -1.3140 -1.3137 0.1634 0.1659 0.1728 0.1758 0.4381 0.4414 0.5942 0.5992 5.1484 5.1517 5.1818 5.1838 6.0141 6.0183 6.0978 6.0986 6.4445 6.4451 k = 0.2273 0.2146 1.4948 ( 4894 PWs) bands (ev): -39.2520 -39.2520 -39.2512 -39.2512 -20.2714 -20.2709 -20.2690 -20.2671 -18.9104 -18.9079 -18.9053 -18.9035 -18.7634 -18.7612 -18.7606 -18.7600 -8.9133 -8.9106 -8.8674 -8.8664 -1.4172 -1.4163 -1.3246 -1.3243 0.1606 0.1644 0.1732 0.1753 0.4346 0.4383 0.5830 0.5880 5.1702 5.1735 5.1932 5.1953 6.0364 6.0401 6.1347 6.1357 6.4400 6.4401 k = 0.2338 0.1787 1.4948 ( 4890 PWs) bands (ev): -39.2521 -39.2521 -39.2513 -39.2513 -20.2710 -20.2706 -20.2688 -20.2672 -18.9106 -18.9082 -18.9060 -18.9040 -18.7619 -18.7599 -18.7594 -18.7589 -8.9099 -8.9077 -8.8651 -8.8646 -1.4221 -1.4213 -1.3340 -1.3338 0.1581 0.1624 0.1744 0.1765 0.4324 0.4364 0.5724 0.5775 5.1889 5.1921 5.2015 5.2038 6.0560 6.0590 6.1740 6.1748 6.4327 6.4338 k = 0.2403 0.1428 1.4948 ( 4892 PWs) bands (ev): -39.2522 -39.2522 -39.2514 -39.2514 -20.2707 -20.2703 -20.2686 -20.2673 -18.9107 -18.9084 -18.9065 -18.9045 -18.7606 -18.7590 -18.7584 -18.7579 -8.9071 -8.9053 -8.8634 -8.8634 -1.4250 -1.4243 -1.3421 -1.3420 0.1557 0.1600 0.1761 0.1787 0.4317 0.4361 0.5628 0.5679 5.2021 5.2050 5.2089 5.2116 6.0717 6.0738 6.2145 6.2150 6.4228 6.4252 k = 0.2468 0.1070 1.4948 ( 4890 PWs) bands (ev): -39.2522 -39.2522 -39.2514 -39.2514 -20.2706 -20.2700 -20.2685 -20.2675 -18.9107 -18.9085 -18.9070 -18.9049 -18.7598 -18.7585 -18.7578 -18.7571 -8.9047 -8.9034 -8.8628 -8.8623 -1.4259 -1.4254 -1.3490 -1.3489 0.1532 0.1573 0.1782 0.1813 0.4327 0.4375 0.5543 0.5593 5.2051 5.2078 5.2200 5.2229 6.0826 6.0837 6.2540 6.2544 6.4108 6.4148 k = 0.2532 0.0711 1.4948 ( 4900 PWs) bands (ev): -39.2522 -39.2522 -39.2515 -39.2515 -20.2706 -20.2697 -20.2684 -20.2676 -18.9107 -18.9085 -18.9073 -18.9051 -18.7592 -18.7584 -18.7576 -18.7566 -8.9029 -8.9021 -8.8628 -8.8619 -1.4248 -1.4245 -1.3545 -1.3544 0.1507 0.1543 0.1802 0.1841 0.4358 0.4409 0.5470 0.5519 5.2028 5.2056 5.2297 5.2326 6.0876 6.0876 6.2876 6.2899 6.3982 6.4036 k = 0.2597 0.0352 1.4948 ( 4894 PWs) bands (ev): -39.2522 -39.2522 -39.2515 -39.2515 -20.2707 -20.2695 -20.2683 -20.2678 -18.9105 -18.9085 -18.9075 -18.9053 -18.7590 -18.7585 -18.7577 -18.7563 -8.9016 -8.9012 -8.8633 -8.8620 -1.4217 -1.4215 -1.3587 -1.3585 0.1479 0.1509 0.1823 0.1868 0.4409 0.4463 0.5410 0.5458 5.1968 5.1997 5.2367 5.2395 6.0852 6.0861 6.3080 6.3133 6.3869 6.3933 k = 0.2662-0.0006 1.4948 ( 4898 PWs) bands (ev): -39.2522 -39.2522 -39.2515 -39.2515 -20.2708 -20.2695 -20.2683 -20.2678 -18.9103 -18.9083 -18.9076 -18.9052 -18.7592 -18.7589 -18.7581 -18.7563 -8.9009 -8.9008 -8.8645 -8.8627 -1.4166 -1.4165 -1.3614 -1.3611 0.1448 0.1472 0.1843 0.1895 0.4481 0.4536 0.5364 0.5410 5.1872 5.1902 5.2407 5.2433 6.0765 6.0781 6.3073 6.3155 6.3784 6.3851 k = 0.2727-0.0365 1.4948 ( 4906 PWs) bands (ev): -39.2522 -39.2522 -39.2514 -39.2514 -20.2710 -20.2696 -20.2684 -20.2678 -18.9100 -18.9081 -18.9075 -18.9051 -18.7599 -18.7596 -18.7587 -18.7567 -8.9012 -8.9006 -8.8663 -8.8640 -1.4095 -1.4094 -1.3628 -1.3624 0.1416 0.1433 0.1864 0.1922 0.4571 0.4629 0.5332 0.5374 5.1740 5.1771 5.2417 5.2442 6.0622 6.0642 6.2880 6.2970 6.3723 6.3792 k = 0.2792-0.0724 1.4948 ( 4902 PWs) bands (ev): -39.2521 -39.2521 -39.2514 -39.2514 -20.2713 -20.2699 -20.2684 -20.2678 -18.9097 -18.9078 -18.9072 -18.9048 -18.7610 -18.7606 -18.7596 -18.7573 -8.9019 -8.9009 -8.8687 -8.8659 -1.4006 -1.4004 -1.3626 -1.3621 0.1382 0.1392 0.1887 0.1950 0.4680 0.4738 0.5311 0.5350 5.1575 5.1607 5.2396 5.2421 6.0439 6.0459 6.2577 6.2663 6.3689 6.3760 k = 0.2857-0.1083 1.4948 ( 4902 PWs) bands (ev): -39.2520 -39.2520 -39.2513 -39.2513 -20.2716 -20.2703 -20.2685 -20.2677 -18.9093 -18.9074 -18.9068 -18.9044 -18.7625 -18.7619 -18.7607 -18.7583 -8.9032 -8.9017 -8.8717 -8.8685 -1.3898 -1.3895 -1.3611 -1.3605 0.1349 0.1352 0.1915 0.1981 0.4803 0.4861 0.5303 0.5338 5.1378 5.1411 5.2346 5.2369 6.0229 6.0247 6.2219 6.2298 6.3682 6.3754 k = 0.2922-0.1441 1.4948 ( 4900 PWs) bands (ev): -39.2519 -39.2519 -39.2512 -39.2512 -20.2720 -20.2708 -20.2686 -20.2677 -18.9089 -18.9069 -18.9062 -18.9039 -18.7642 -18.7636 -18.7620 -18.7596 -8.9049 -8.9030 -8.8753 -8.8716 -1.3772 -1.3769 -1.3581 -1.3574 0.1314 0.1318 0.1950 0.2019 0.4937 0.4995 0.5304 0.5335 5.1152 5.1186 5.2265 5.2287 6.0008 6.0022 6.1835 6.1908 6.3699 6.3770 k = 0.2987-0.1800 1.4948 ( 4900 PWs) bands (ev): -39.2518 -39.2518 -39.2511 -39.2511 -20.2724 -20.2714 -20.2687 -20.2677 -18.9085 -18.9064 -18.9055 -18.9032 -18.7662 -18.7655 -18.7637 -18.7611 -8.9072 -8.9048 -8.8794 -8.8753 -1.3633 -1.3630 -1.3534 -1.3528 0.1281 0.1292 0.1995 0.2065 0.5076 0.5135 0.5317 0.5341 5.0900 5.0934 5.2154 5.2174 5.9786 5.9795 6.1445 6.1512 6.3735 6.3803 k = 0.3052-0.2159 1.4948 ( 4900 PWs) bands (ev): -39.2516 -39.2516 -39.2509 -39.2509 -20.2729 -20.2719 -20.2689 -20.2678 -18.9080 -18.9058 -18.9047 -18.9024 -18.7684 -18.7678 -18.7656 -18.7630 -8.9099 -8.9071 -8.8840 -8.8795 -1.3513 -1.3502 -1.3446 -1.3439 0.1256 0.1273 0.2052 0.2121 0.5206 0.5268 0.5350 0.5367 5.0627 5.0661 5.2013 5.2031 5.9571 5.9576 6.1058 6.1120 6.3786 6.3851 k = 0.3117-0.2517 1.4948 ( 4894 PWs) bands (ev): -39.2515 -39.2515 -39.2507 -39.2507 -20.2734 -20.2726 -20.2692 -20.2679 -18.9075 -18.9051 -18.9037 -18.9015 -18.7709 -18.7703 -18.7678 -18.7651 -8.9131 -8.9099 -8.8892 -8.8843 -1.3437 -1.3422 -1.3287 -1.3276 0.1242 0.1264 0.2122 0.2191 0.5284 0.5330 0.5443 0.5469 5.0337 5.0372 5.1843 5.1860 5.9366 5.9367 6.0682 6.0740 6.3849 6.3910 k = 0.3182-0.2876 1.4948 ( 4897 PWs) bands (ev): -39.2513 -39.2513 -39.2506 -39.2506 -20.2739 -20.2732 -20.2695 -20.2680 -18.9069 -18.9044 -18.9026 -18.9005 -18.7736 -18.7730 -18.7702 -18.7675 -8.9167 -8.9131 -8.8948 -8.8895 -1.3360 -1.3343 -1.3105 -1.3093 0.1240 0.1267 0.2208 0.2276 0.5314 0.5348 0.5585 0.5617 5.0035 5.0070 5.1646 5.1660 5.9170 5.9175 6.0322 6.0375 6.3923 6.3981 k = 0.3247-0.3235 1.4948 ( 4891 PWs) bands (ev): -39.2511 -39.2511 -39.2503 -39.2503 -20.2745 -20.2739 -20.2698 -20.2682 -18.9062 -18.9036 -18.9014 -18.8994 -18.7766 -18.7759 -18.7729 -18.7701 -8.9207 -8.9168 -8.9009 -8.8953 -1.3275 -1.3255 -1.2910 -1.2897 0.1254 0.1285 0.2312 0.2377 0.5332 0.5359 0.5738 0.5770 4.9728 4.9763 5.1424 5.1436 5.8987 5.8995 5.9982 6.0030 6.4007 6.4061 k = 0.3312-0.3593 1.4948 ( 4893 PWs) bands (ev): -39.2509 -39.2509 -39.2501 -39.2501 -20.2752 -20.2745 -20.2702 -20.2685 -18.9055 -18.9027 -18.9002 -18.8982 -18.7797 -18.7790 -18.7759 -18.7729 -8.9251 -8.9209 -8.9075 -8.9015 -1.3181 -1.3160 -1.2706 -1.2692 0.1286 0.1320 0.2433 0.2495 0.5342 0.5366 0.5892 0.5921 4.9419 4.9455 5.1180 5.1190 5.8815 5.8828 5.9661 5.9704 6.4101 6.4152 k = 0.3377-0.3952 1.4948 ( 4899 PWs) bands (ev): -39.2506 -39.2506 -39.2499 -39.2499 -20.2759 -20.2752 -20.2707 -20.2688 -18.9047 -18.9018 -18.8988 -18.8970 -18.7830 -18.7823 -18.7790 -18.7759 -8.9299 -8.9253 -8.9144 -8.9082 -1.3080 -1.3056 -1.2496 -1.2480 0.1337 0.1375 0.2573 0.2631 0.5347 0.5367 0.6043 0.6069 4.9115 4.9152 5.0919 5.0926 5.8653 5.8669 5.9361 5.9399 6.4206 6.4253 k = 0.3442-0.4311 1.4948 ( 4899 PWs) bands (ev): -39.2504 -39.2504 -39.2497 -39.2497 -20.2767 -20.2759 -20.2712 -20.2691 -18.9039 -18.9008 -18.8974 -18.8956 -18.7864 -18.7857 -18.7823 -18.7790 -8.9350 -8.9301 -8.9216 -8.9152 -1.2971 -1.2945 -1.2282 -1.2264 0.1410 0.1450 0.2731 0.2785 0.5346 0.5363 0.6189 0.6211 4.8820 4.8857 5.0644 5.0648 5.8497 5.8517 5.9081 5.9114 6.4320 6.4363 k = 0.3506-0.4669 1.4948 ( 4897 PWs) bands (ev): -39.2501 -39.2501 -39.2494 -39.2494 -20.2775 -20.2765 -20.2718 -20.2696 -18.9031 -18.8998 -18.8959 -18.8942 -18.7900 -18.7893 -18.7858 -18.7824 -8.9403 -8.9353 -8.9292 -8.9226 -1.2856 -1.2828 -1.2066 -1.2047 0.1507 0.1548 0.2908 0.2955 0.5338 0.5352 0.6328 0.6345 4.8538 4.8576 5.0361 5.0363 5.8346 5.8370 5.8819 5.8847 6.4444 6.4485 k = 0.3571-0.5028 1.4948 ( 4893 PWs) bands (ev): -39.2499 -39.2499 -39.2491 -39.2491 -20.2783 -20.2772 -20.2724 -20.2700 -18.9022 -18.8988 -18.8944 -18.8928 -18.7937 -18.7929 -18.7894 -18.7858 -8.9459 -8.9410 -8.9368 -8.9303 -1.2735 -1.2704 -1.1850 -1.1829 0.1628 0.1669 0.3102 0.3143 0.5323 0.5335 0.6458 0.6471 4.8273 4.8311 5.0074 5.0075 5.8195 5.8224 5.8577 5.8598 6.4579 6.4616 k = 0.3636-0.5387 1.4948 ( 4887 PWs) bands (ev): -39.2496 -39.2496 -39.2488 -39.2488 -20.2791 -20.2779 -20.2730 -20.2705 -18.9013 -18.8977 -18.8928 -18.8912 -18.7974 -18.7965 -18.7932 -18.7894 -8.9518 -8.9473 -8.9442 -8.9383 -1.2609 -1.2576 -1.1637 -1.1614 0.1773 0.1815 0.3313 0.3344 0.5302 0.5311 0.6580 0.6587 4.8027 4.8065 4.9787 4.9791 5.8042 5.8074 5.8353 5.8369 6.4724 6.4758 k = 0.3701-0.5746 1.4948 ( 4887 PWs) bands (ev): -39.2493 -39.2493 -39.2486 -39.2486 -20.2800 -20.2786 -20.2737 -20.2711 -18.9004 -18.8966 -18.8911 -18.8897 -18.8012 -18.8003 -18.7970 -18.7930 -8.9579 -8.9549 -8.9509 -8.9464 -1.2477 -1.2442 -1.1428 -1.1404 0.1943 0.1983 0.3537 0.3558 0.5276 0.5282 0.6693 0.6693 4.7802 4.7842 4.9507 4.9514 5.7882 5.7916 5.8150 5.8161 6.4878 6.4910 k = 0.3766-0.6104 1.4948 ( 4881 PWs) bands (ev): -39.2490 -39.2490 -39.2483 -39.2483 -20.2809 -20.2793 -20.2745 -20.2716 -18.8995 -18.8956 -18.8895 -18.8881 -18.8050 -18.8040 -18.8009 -18.7966 -8.9641 -8.9631 -8.9572 -8.9547 -1.2342 -1.2304 -1.1226 -1.1199 0.2137 0.2174 0.3773 0.3781 0.5246 0.5250 0.6788 0.6796 4.7601 4.7642 4.9238 4.9248 5.7711 5.7744 5.7969 5.7980 6.5041 6.5070 k = 0.3831-0.6463 1.4948 ( 4878 PWs) bands (ev): -39.2487 -39.2487 -39.2480 -39.2480 -20.2817 -20.2800 -20.2752 -20.2723 -18.8986 -18.8945 -18.8878 -18.8865 -18.8088 -18.8077 -18.8049 -18.8003 -8.9717 -8.9705 -8.9634 -8.9630 -1.2202 -1.2162 -1.1031 -1.1003 0.2351 0.2385 0.4008 0.4016 0.5217 0.5218 0.6873 0.6889 4.7424 4.7467 4.8985 4.8998 5.7532 5.7560 5.7808 5.7821 6.5213 6.5239 k = 0.3896-0.6822 1.4948 ( 4880 PWs) bands (ev): -39.2484 -39.2484 -39.2477 -39.2477 -20.2826 -20.2807 -20.2760 -20.2729 -18.8977 -18.8934 -18.8861 -18.8848 -18.8127 -18.8114 -18.8089 -18.8039 -8.9804 -8.9773 -8.9713 -8.9696 -1.2058 -1.2016 -1.0845 -1.0816 0.2583 0.2612 0.4232 0.4260 0.5190 0.5197 0.6948 0.6974 4.7273 4.7316 4.8752 4.8767 5.7347 5.7371 5.7662 5.7677 6.5391 6.5416 k = 0.3961-0.7180 1.4948 ( 4878 PWs) bands (ev): -39.2482 -39.2481 -39.2474 -39.2474 -20.2834 -20.2814 -20.2768 -20.2736 -18.8968 -18.8924 -18.8844 -18.8832 -18.8165 -18.8150 -18.8128 -18.8075 -8.9891 -8.9845 -8.9792 -8.9758 -1.1911 -1.1867 -1.0670 -1.0639 0.2826 0.2848 0.4441 0.4499 0.5178 0.5196 0.7014 0.7051 4.7147 4.7191 4.8541 4.8559 5.7163 5.7182 5.7525 5.7544 6.5575 6.5598 k = 0.4026-0.7539 1.4948 ( 4888 PWs) bands (ev): -39.2479 -39.2479 -39.2471 -39.2471 -20.2843 -20.2821 -20.2777 -20.2743 -18.8959 -18.8913 -18.8827 -18.8816 -18.8202 -18.8186 -18.8167 -18.8110 -8.9979 -8.9924 -8.9863 -8.9820 -1.1760 -1.1715 -1.0506 -1.0473 0.3072 0.3083 0.4621 0.4714 0.5203 0.5234 0.7072 0.7123 4.7046 4.7091 4.8355 4.8376 5.6983 5.6996 5.7397 5.7417 6.5764 6.5785 k = 0.4091-0.7898 1.4948 ( 4890 PWs) bands (ev): -39.2476 -39.2476 -39.2468 -39.2468 -20.2851 -20.2827 -20.2785 -20.2750 -18.8951 -18.8904 -18.8811 -18.8799 -18.8239 -18.8221 -18.8204 -18.8144 -9.0066 -9.0006 -8.9930 -8.9882 -1.1607 -1.1560 -1.0354 -1.0320 0.3303 0.3304 0.4761 0.4888 0.5290 0.5328 0.7127 0.7193 4.6968 4.7015 4.8197 4.8221 5.6808 5.6817 5.7275 5.7297 6.5955 6.5975 k = 0.4156-0.8256 1.4948 ( 4890 PWs) bands (ev): -39.2473 -39.2473 -39.2465 -39.2465 -20.2859 -20.2834 -20.2794 -20.2758 -18.8943 -18.8895 -18.8794 -18.8783 -18.8275 -18.8257 -18.8239 -18.8177 -9.0152 -9.0091 -8.9992 -8.9942 -1.1450 -1.1402 -1.0214 -1.0179 0.3488 0.3503 0.4882 0.5031 0.5442 0.5471 0.7182 0.7264 4.6914 4.6962 4.8069 4.8094 5.6639 5.6645 5.7159 5.7183 6.6147 6.6165 k = 0.4221-0.8615 1.4948 ( 4883 PWs) bands (ev): -39.2471 -39.2471 -39.2463 -39.2462 -20.2867 -20.2840 -20.2803 -20.2765 -18.8936 -18.8886 -18.8778 -18.8767 -18.8310 -18.8293 -18.8271 -18.8209 -9.0237 -9.0176 -9.0052 -9.0001 -1.1291 -1.1242 -1.0087 -1.0051 0.3619 0.3646 0.5025 0.5190 0.5619 0.5636 0.7241 0.7341 4.6880 4.6929 4.7971 4.7998 5.6479 5.6481 5.7051 5.7075 6.6337 6.6355 k = 0.4286-0.8974 1.4948 ( 4889 PWs) bands (ev): -39.2468 -39.2468 -39.2460 -39.2460 -20.2874 -20.2846 -20.2811 -20.2773 -18.8929 -18.8879 -18.8762 -18.8752 -18.8344 -18.8328 -18.8300 -18.8239 -9.0320 -9.0260 -9.0109 -9.0058 -1.1130 -1.1081 -0.9973 -0.9937 0.3689 0.3723 0.5209 0.5393 0.5791 0.5806 0.7312 0.7427 4.6865 4.6914 4.7903 4.7932 5.6326 5.6326 5.6950 5.6975 6.6525 6.6541 k = 0.4351-0.9332 1.4948 ( 4886 PWs) bands (ev): -39.2466 -39.2466 -39.2457 -39.2457 -20.2881 -20.2852 -20.2820 -20.2780 -18.8923 -18.8872 -18.8747 -18.8736 -18.8376 -18.8363 -18.8327 -18.8267 -9.0401 -9.0342 -9.0163 -9.0113 -1.0967 -1.0917 -0.9872 -0.9836 0.3708 0.3743 0.5414 0.5625 0.5953 0.5982 0.7398 0.7524 4.6866 4.6916 4.7867 4.7897 5.6180 5.6183 5.6859 5.6883 6.6706 6.6722 k = 0.4416-0.9691 1.4948 ( 4880 PWs) bands (ev): -39.2463 -39.2463 -39.2455 -39.2455 -20.2888 -20.2857 -20.2828 -20.2788 -18.8918 -18.8867 -18.8733 -18.8721 -18.8407 -18.8397 -18.8351 -18.8293 -9.0479 -9.0422 -9.0213 -9.0165 -1.0802 -1.0753 -0.9785 -0.9748 0.3690 0.3725 0.5598 0.5828 0.6144 0.6188 0.7502 0.7633 4.6880 4.6930 4.7860 4.7892 5.6044 5.6049 5.6776 5.6800 6.6881 6.6896 k = 0.4481-1.0050 1.4948 ( 4884 PWs) bands (ev): -39.2461 -39.2461 -39.2452 -39.2452 -20.2894 -20.2862 -20.2835 -20.2795 -18.8913 -18.8862 -18.8719 -18.8707 -18.8435 -18.8429 -18.8373 -18.8317 -9.0554 -9.0500 -9.0261 -9.0214 -1.0637 -1.0588 -0.9710 -0.9674 0.3651 0.3684 0.5720 0.5935 0.6413 0.6446 0.7621 0.7751 4.6904 4.6954 4.7883 4.7915 5.5919 5.5925 5.6703 5.6727 6.7045 6.7060 k = 0.4545-1.0409 1.4948 ( 4884 PWs) bands (ev): -39.2459 -39.2459 -39.2450 -39.2450 -20.2899 -20.2867 -20.2843 -20.2802 -18.8908 -18.8858 -18.8706 -18.8693 -18.8462 -18.8459 -18.8393 -18.8339 -9.0626 -9.0574 -9.0304 -9.0260 -1.0472 -1.0424 -0.9649 -0.9614 0.3602 0.3632 0.5781 0.5970 0.6728 0.6746 0.7748 0.7870 4.6935 4.6984 4.7932 4.7965 5.5803 5.5812 5.6641 5.6665 6.7198 6.7213 k = 0.4610-1.0767 1.4948 ( 4884 PWs) bands (ev): -39.2457 -39.2457 -39.2448 -39.2448 -20.2904 -20.2871 -20.2849 -20.2809 -18.8904 -18.8855 -18.8695 -18.8680 -18.8489 -18.8485 -18.8410 -18.8360 -9.0694 -9.0645 -9.0344 -9.0302 -1.0308 -1.0261 -0.9602 -0.9568 0.3548 0.3576 0.5797 0.5964 0.7058 0.7067 0.7875 0.7986 4.6970 4.7017 4.8005 4.8039 5.5699 5.5708 5.6590 5.6613 6.7337 6.7351 k = 0.4675-1.1126 1.4948 ( 4883 PWs) bands (ev): -39.2455 -39.2455 -39.2446 -39.2446 -20.2909 -20.2876 -20.2855 -20.2815 -18.8900 -18.8853 -18.8684 -18.8667 -18.8515 -18.8507 -18.8425 -18.8378 -9.0758 -9.0712 -9.0379 -9.0340 -1.0146 -1.0100 -0.9568 -0.9535 0.3496 0.3522 0.5783 0.5931 0.7384 0.7393 0.7997 0.8093 4.7004 4.7049 4.8100 4.8133 5.5605 5.5615 5.6551 5.6572 6.7460 6.7474 k = 0.4740-1.1485 1.4948 ( 4884 PWs) bands (ev): -39.2454 -39.2454 -39.2445 -39.2445 -20.2913 -20.2881 -20.2859 -20.2821 -18.8897 -18.8852 -18.8675 -18.8656 -18.8539 -18.8526 -18.8438 -18.8394 -9.0818 -9.0776 -9.0409 -9.0373 -0.9987 -0.9942 -0.9547 -0.9515 0.3450 0.3473 0.5747 0.5879 0.7693 0.7710 0.8114 0.8188 4.7034 4.7077 4.8212 4.8244 5.5522 5.5533 5.6522 5.6542 6.7565 6.7579 k = 0.4805-1.1843 1.4948 ( 4882 PWs) bands (ev): -39.2453 -39.2453 -39.2443 -39.2443 -20.2916 -20.2886 -20.2862 -20.2826 -18.8893 -18.8851 -18.8668 -18.8645 -18.8560 -18.8542 -18.8449 -18.8409 -9.0873 -9.0835 -9.0435 -9.0401 -0.9832 -0.9789 -0.9538 -0.9508 0.3410 0.3431 0.5698 0.5815 0.7957 0.8002 0.8242 0.8276 4.7057 4.7098 4.8336 4.8367 5.5450 5.5460 5.6505 5.6522 6.7652 6.7665 k = 0.4870-1.2202 1.4948 ( 4882 PWs) bands (ev): -39.2451 -39.2451 -39.2442 -39.2442 -20.2918 -20.2890 -20.2864 -20.2831 -18.8890 -18.8851 -18.8662 -18.8635 -18.8578 -18.8554 -18.8458 -18.8422 -9.0924 -9.0889 -9.0455 -9.0425 -0.9685 -0.9641 -0.9542 -0.9511 0.3380 0.3398 0.5639 0.5742 0.8118 0.8206 0.8412 0.8431 4.7070 4.7108 4.8469 4.8498 5.5388 5.5398 5.6497 5.6513 6.7718 6.7730 k = 0.4935-1.2561 1.4948 ( 4882 PWs) bands (ev): -39.2451 -39.2451 -39.2441 -39.2441 -20.2920 -20.2895 -20.2865 -20.2835 -18.8887 -18.8851 -18.8658 -18.8627 -18.8592 -18.8563 -18.8465 -18.8433 -9.0970 -9.0939 -9.0470 -9.0443 -0.9572 -0.9561 -0.9498 -0.9498 0.3360 0.3377 0.5574 0.5664 0.8186 0.8270 0.8641 0.8666 4.7072 4.7105 4.8605 4.8632 5.5336 5.5346 5.6500 5.6513 6.7762 6.7774 k = 0.5000-1.2919 1.4948 ( 4886 PWs) bands (ev): -39.2450 -39.2450 -39.2440 -39.2440 -20.2921 -20.2899 -20.2864 -20.2838 -18.8884 -18.8852 -18.8655 -18.8623 -18.8600 -18.8569 -18.8471 -18.8443 -9.1010 -9.0983 -9.0480 -9.0456 -0.9588 -0.9576 -0.9389 -0.9366 0.3352 0.3366 0.5506 0.5583 0.8206 0.8276 0.8876 0.8898 4.7059 4.7088 4.8740 4.8764 5.5295 5.5304 5.6510 5.6522 6.7784 6.7795 k = 0.5000-1.2919 1.4948 ( 4886 PWs) bands (ev): -39.2450 -39.2450 -39.2440 -39.2440 -20.2921 -20.2899 -20.2864 -20.2838 -18.8884 -18.8852 -18.8655 -18.8623 -18.8600 -18.8569 -18.8471 -18.8443 -9.1010 -9.0983 -9.0480 -9.0456 -0.9588 -0.9576 -0.9389 -0.9366 0.3352 0.3366 0.5506 0.5583 0.8206 0.8276 0.8876 0.8898 4.7059 4.7088 4.8740 4.8764 5.5295 5.5304 5.6510 5.6522 6.7784 6.7795 k = 0.5000-1.3144 1.4720 ( 4882 PWs) bands (ev): -39.2449 -39.2449 -39.2439 -39.2439 -20.2921 -20.2904 -20.2863 -20.2842 -18.8880 -18.8853 -18.8651 -18.8623 -18.8602 -18.8575 -18.8477 -18.8454 -9.1053 -9.1032 -9.0487 -9.0468 -0.9626 -0.9614 -0.9238 -0.9217 0.3348 0.3359 0.5424 0.5485 0.8205 0.8260 0.9142 0.9159 4.7036 4.7060 4.8897 4.8917 5.5254 5.5261 5.6529 5.6538 6.7796 6.7805 k = 0.5000-1.3368 1.4492 ( 4894 PWs) bands (ev): -39.2449 -39.2449 -39.2439 -39.2439 -20.2921 -20.2908 -20.2862 -20.2846 -18.8876 -18.8855 -18.8648 -18.8627 -18.8600 -18.8580 -18.8481 -18.8463 -9.1087 -9.1071 -9.0493 -9.0479 -0.9656 -0.9646 -0.9112 -0.9095 0.3344 0.3352 0.5354 0.5400 0.8205 0.8245 0.9357 0.9369 4.7019 4.7037 4.9030 4.9045 5.5223 5.5228 5.6548 5.6554 6.7803 6.7810 k = 0.5000-1.3592 1.4264 ( 4882 PWs) bands (ev): -39.2449 -39.2449 -39.2438 -39.2438 -20.2921 -20.2912 -20.2860 -20.2849 -18.8872 -18.8857 -18.8645 -18.8632 -18.8597 -18.8584 -18.8483 -18.8471 -9.1110 -9.1099 -9.0497 -9.0487 -0.9676 -0.9670 -0.9018 -0.9007 0.3341 0.3346 0.5303 0.5334 0.8205 0.8232 0.9515 0.9523 4.7008 4.7020 4.9131 4.9141 5.5200 5.5204 5.6564 5.6568 6.7807 6.7812 k = 0.5000-1.3816 1.4036 ( 4882 PWs) bands (ev): -39.2449 -39.2449 -39.2437 -39.2437 -20.2919 -20.2915 -20.2858 -20.2852 -18.8868 -18.8860 -18.8643 -18.8636 -18.8594 -18.8587 -18.8483 -18.8477 -9.1123 -9.1118 -9.0498 -9.0493 -0.9688 -0.9684 -0.8959 -0.8953 0.3339 0.3342 0.5274 0.5289 0.8208 0.8221 0.9612 0.9616 4.7003 4.7009 4.9194 4.9200 5.5187 5.5189 5.6575 5.6577 6.7809 6.7812 k = 0.5000-1.4041 1.3808 ( 4878 PWs) bands (ev): -39.2448 -39.2448 -39.2437 -39.2437 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9691 -0.9691 -0.8937 -0.8937 0.3339 0.3339 0.5269 0.5269 0.8213 0.8213 0.9646 0.9646 4.7003 4.7003 4.9218 4.9218 5.5183 5.5183 5.6579 5.6579 6.7811 6.7811 k = 1.0000-1.3136 1.2918 ( 4878 PWs) bands (ev): -39.2448 -39.2448 -39.2438 -39.2438 -20.2917 -20.2917 -20.2855 -20.2855 -18.8864 -18.8864 -18.8640 -18.8640 -18.8590 -18.8590 -18.8481 -18.8481 -9.1126 -9.1126 -9.0497 -9.0497 -0.9690 -0.9690 -0.8937 -0.8937 0.3342 0.3342 0.5265 0.5265 0.8212 0.8212 0.9646 0.9646 4.7141 4.7141 4.9102 4.9102 5.4944 5.4944 5.6775 5.6775 6.8555 6.8555 k = 1.0000-1.2890 1.3168 ( 4878 PWs) bands (ev): -39.2448 -39.2448 -39.2438 -39.2438 -20.2920 -20.2915 -20.2858 -20.2852 -18.8868 -18.8860 -18.8643 -18.8636 -18.8594 -18.8587 -18.8483 -18.8477 -9.1122 -9.1116 -9.0498 -9.0493 -0.9687 -0.9683 -0.8963 -0.8957 0.3342 0.3345 0.5272 0.5288 0.8207 0.8221 0.9606 0.9610 4.7141 4.7147 4.9073 4.9079 5.4949 5.4950 5.6771 5.6773 6.8551 6.8558 k = 0.0000 1.4700 1.4948 ( 4878 PWs) bands (ev): -39.2448 -39.2448 -39.2438 -39.2438 -20.2920 -20.2915 -20.2858 -20.2852 -18.8868 -18.8860 -18.8643 -18.8636 -18.8594 -18.8587 -18.8483 -18.8477 -9.1122 -9.1116 -9.0498 -9.0493 -0.9687 -0.9683 -0.8963 -0.8957 0.3342 0.3345 0.5272 0.5288 0.8207 0.8221 0.9606 0.9610 4.7141 4.7147 4.9073 4.9079 5.4949 5.4950 5.6771 5.6773 6.8551 6.8558 k = 0.0333 1.4702 1.4829 ( 4874 PWs) bands (ev): -39.2448 -39.2448 -39.2438 -39.2438 -20.2920 -20.2914 -20.2859 -20.2851 -18.8869 -18.8859 -18.8644 -18.8635 -18.8595 -18.8586 -18.8483 -18.8475 -9.1120 -9.1112 -9.0498 -9.0491 -0.9685 -0.9680 -0.8976 -0.8968 0.3342 0.3346 0.5278 0.5298 0.8206 0.8223 0.9585 0.9590 4.7140 4.7148 4.9060 4.9068 5.4954 5.4956 5.6767 5.6769 6.8489 6.8566 k = 0.0667 1.4704 1.4711 ( 4876 PWs) bands (ev): -39.2448 -39.2448 -39.2438 -39.2438 -20.2920 -20.2913 -20.2859 -20.2851 -18.8870 -18.8858 -18.8644 -18.8634 -18.8596 -18.8585 -18.8483 -18.8474 -9.1116 -9.1108 -9.0497 -9.0490 -0.9682 -0.9676 -0.8991 -0.8982 0.3343 0.3347 0.5286 0.5310 0.8205 0.8226 0.9560 0.9566 4.7137 4.7147 4.9047 4.9056 5.4965 5.4968 5.6758 5.6761 6.8413 6.8503 k = 0.1000 1.4706 1.4592 ( 4869 PWs) bands (ev): -39.2448 -39.2448 -39.2438 -39.2438 -20.2921 -20.2912 -20.2860 -20.2850 -18.8871 -18.8858 -18.8645 -18.8632 -18.8597 -18.8584 -18.8483 -18.8472 -9.1112 -9.1102 -9.0497 -9.0488 -0.9678 -0.9672 -0.9009 -0.8998 0.3343 0.3348 0.5295 0.5323 0.8204 0.8229 0.9531 0.9538 4.7131 4.7143 4.9034 4.9043 5.4982 5.4986 5.6745 5.6749 6.8337 6.8427 k = 0.1333 1.4708 1.4473 ( 4867 PWs) bands (ev): -39.2449 -39.2449 -39.2438 -39.2438 -20.2921 -20.2911 -20.2860 -20.2849 -18.8872 -18.8857 -18.8646 -18.8631 -18.8598 -18.8583 -18.8483 -18.8470 -9.1108 -9.1096 -9.0496 -9.0486 -0.9674 -0.9667 -0.9029 -0.9017 0.3344 0.3349 0.5306 0.5338 0.8204 0.8232 0.9497 0.9506 4.7124 4.7136 4.9019 4.9031 5.5003 5.5008 5.6728 5.6732 6.8262 6.8349 k = 0.1667 1.4710 1.4355 ( 4873 PWs) bands (ev): -39.2449 -39.2449 -39.2438 -39.2438 -20.2921 -20.2910 -20.2861 -20.2848 -18.8873 -18.8856 -18.8646 -18.8630 -18.8598 -18.8582 -18.8483 -18.8468 -9.1102 -9.1089 -9.0495 -9.0484 -0.9669 -0.9661 -0.9052 -0.9038 0.3344 0.3351 0.5318 0.5355 0.8204 0.8236 0.9460 0.9469 4.7114 4.7129 4.9005 4.9017 5.5029 5.5034 5.6708 5.6713 6.8189 6.8273 k = 0.2000 1.4712 1.4236 ( 4869 PWs) bands (ev): -39.2449 -39.2449 -39.2438 -39.2438 -20.2921 -20.2909 -20.2861 -20.2847 -18.8874 -18.8856 -18.8647 -18.8629 -18.8599 -18.8581 -18.8482 -18.8466 -9.1096 -9.1082 -9.0494 -9.0482 -0.9664 -0.9655 -0.9076 -0.9061 0.3345 0.3352 0.5332 0.5372 0.8204 0.8239 0.9418 0.9429 4.7104 4.7120 4.8989 4.9003 5.5058 5.5064 5.6686 5.6691 6.8119 6.8198 k = 0.2333 1.4714 1.4117 ( 4871 PWs) bands (ev): -39.2449 -39.2449 -39.2438 -39.2438 -20.2921 -20.2908 -20.2862 -20.2846 -18.8875 -18.8855 -18.8648 -18.8628 -18.8600 -18.8580 -18.8481 -18.8464 -9.1089 -9.1073 -9.0493 -9.0480 -0.9658 -0.9648 -0.9103 -0.9087 0.3346 0.3353 0.5347 0.5392 0.8204 0.8243 0.9373 0.9385 4.7093 4.7111 4.8972 4.8987 5.5089 5.5095 5.6661 5.6667 6.8054 6.8127 k = 0.2667 1.4716 1.3998 ( 4868 PWs) bands (ev): -39.2449 -39.2449 -39.2438 -39.2438 -20.2921 -20.2907 -20.2862 -20.2845 -18.8876 -18.8855 -18.8649 -18.8627 -18.8601 -18.8579 -18.8480 -18.8462 -9.1082 -9.1064 -9.0492 -9.0477 -0.9651 -0.9641 -0.9132 -0.9115 0.3346 0.3355 0.5364 0.5412 0.8204 0.8247 0.9323 0.9336 4.7083 4.7101 4.8953 4.8969 5.5121 5.5128 5.6636 5.6643 6.7994 6.8060 k = 0.3000 1.4718 1.3880 ( 4871 PWs) bands (ev): -39.2449 -39.2449 -39.2438 -39.2438 -20.2922 -20.2906 -20.2863 -20.2844 -18.8878 -18.8854 -18.8649 -18.8625 -18.8601 -18.8578 -18.8479 -18.8459 -9.1073 -9.1055 -9.0491 -9.0474 -0.9644 -0.9633 -0.9164 -0.9145 0.3347 0.3356 0.5382 0.5434 0.8204 0.8251 0.9270 0.9284 4.7073 4.7093 4.8932 4.8949 5.5153 5.5160 5.6611 5.6618 6.7940 6.7999 k = 0.3333 1.4720 1.3761 ( 4873 PWs) bands (ev): -39.2449 -39.2449 -39.2439 -39.2439 -20.2922 -20.2905 -20.2863 -20.2844 -18.8879 -18.8854 -18.8650 -18.8624 -18.8602 -18.8576 -18.8478 -18.8457 -9.1065 -9.1045 -9.0489 -9.0472 -0.9636 -0.9625 -0.9197 -0.9177 0.3348 0.3358 0.5400 0.5457 0.8205 0.8255 0.9213 0.9228 4.7064 4.7086 4.8908 4.8927 5.5184 5.5192 5.6587 5.6595 6.7893 6.7944 k = 0.3667 1.4722 1.3642 ( 4875 PWs) bands (ev): -39.2449 -39.2449 -39.2439 -39.2439 -20.2921 -20.2904 -20.2863 -20.2843 -18.8880 -18.8853 -18.8651 -18.8624 -18.8602 -18.8575 -18.8477 -18.8454 -9.1055 -9.1034 -9.0487 -9.0469 -0.9628 -0.9616 -0.9232 -0.9211 0.3349 0.3359 0.5420 0.5480 0.8205 0.8259 0.9152 0.9169 4.7058 4.7081 4.8882 4.8902 5.5214 5.5221 5.6565 5.6573 6.7855 6.7897 k = 0.4000 1.4724 1.3524 ( 4885 PWs) bands (ev): -39.2450 -39.2450 -39.2439 -39.2439 -20.2921 -20.2903 -20.2864 -20.2842 -18.8881 -18.8853 -18.8652 -18.8623 -18.8602 -18.8574 -18.8476 -18.8452 -9.1045 -9.1022 -9.0486 -9.0466 -0.9619 -0.9606 -0.9269 -0.9247 0.3349 0.3361 0.5440 0.5505 0.8206 0.8264 0.9088 0.9106 4.7054 4.7078 4.8852 4.8873 5.5240 5.5247 5.6545 5.6554 6.7824 6.7857 k = 0.4333 1.4726 1.3405 ( 4884 PWs) bands (ev): -39.2450 -39.2450 -39.2439 -39.2439 -20.2921 -20.2902 -20.2864 -20.2841 -18.8882 -18.8852 -18.8653 -18.8623 -18.8602 -18.8572 -18.8474 -18.8449 -9.1034 -9.1010 -9.0484 -9.0463 -0.9609 -0.9596 -0.9308 -0.9285 0.3350 0.3363 0.5462 0.5530 0.8206 0.8268 0.9021 0.9039 4.7052 4.7078 4.8819 4.8841 5.5263 5.5270 5.6529 5.6539 6.7803 6.7827 k = 0.4667 1.4728 1.3286 ( 4880 PWs) bands (ev): -39.2450 -39.2450 -39.2440 -39.2440 -20.2921 -20.2900 -20.2864 -20.2840 -18.8883 -18.8852 -18.8654 -18.8622 -18.8601 -18.8571 -18.8473 -18.8446 -9.1022 -9.0997 -9.0482 -9.0460 -0.9599 -0.9586 -0.9348 -0.9325 0.3351 0.3364 0.5484 0.5556 0.8206 0.8272 0.8950 0.8970 4.7054 4.7082 4.8781 4.8804 5.5281 5.5289 5.6517 5.6528 6.7790 6.7805 k = 0.5000 1.4730 1.3168 ( 4886 PWs) bands (ev): -39.2450 -39.2450 -39.2440 -39.2440 -20.2921 -20.2899 -20.2864 -20.2838 -18.8884 -18.8852 -18.8655 -18.8623 -18.8600 -18.8569 -18.8471 -18.8443 -9.1010 -9.0983 -9.0480 -9.0456 -0.9588 -0.9576 -0.9389 -0.9366 0.3352 0.3366 0.5506 0.5583 0.8206 0.8276 0.8876 0.8898 4.7059 4.7088 4.8740 4.8764 5.5295 5.5304 5.6510 5.6522 6.7784 6.7795 k = 0.5000 1.4730 1.3168 ( 4886 PWs) bands (ev): -39.2450 -39.2450 -39.2440 -39.2440 -20.2921 -20.2899 -20.2864 -20.2838 -18.8884 -18.8852 -18.8655 -18.8623 -18.8600 -18.8569 -18.8471 -18.8443 -9.1010 -9.0983 -9.0480 -9.0456 -0.9588 -0.9576 -0.9389 -0.9366 0.3352 0.3366 0.5506 0.5583 0.8206 0.8276 0.8876 0.8898 4.7059 4.7088 4.8740 4.8764 5.5295 5.5304 5.6510 5.6522 6.7784 6.7795 k = 0.5000 1.4474 1.2907 ( 4884 PWs) bands (ev): -39.2451 -39.2451 -39.2441 -39.2441 -20.2919 -20.2893 -20.2865 -20.2834 -18.8888 -18.8851 -18.8659 -18.8626 -18.8592 -18.8561 -18.8463 -18.8429 -9.0949 -9.0916 -9.0469 -9.0440 -0.9614 -0.9570 -0.9531 -0.9497 0.3354 0.3371 0.5609 0.5704 0.8191 0.8279 0.8535 0.8561 4.7092 4.7127 4.8539 4.8567 5.5353 5.5363 5.6492 5.6506 6.7764 6.7776 k = 0.5000 1.4218 1.2647 ( 4868 PWs) bands (ev): -39.2452 -39.2452 -39.2442 -39.2442 -20.2917 -20.2887 -20.2865 -20.2829 -18.8892 -18.8850 -18.8664 -18.8631 -18.8580 -18.8552 -18.8453 -18.8414 -9.0876 -9.0837 -9.0457 -9.0424 -0.9834 -0.9792 -0.9466 -0.9436 0.3349 0.3370 0.5711 0.5826 0.8022 0.8048 0.8330 0.8382 4.7132 4.7173 4.8328 4.8360 5.5423 5.5435 5.6481 5.6499 6.7732 6.7746 k = 0.5000 1.3962 1.2387 ( 4868 PWs) bands (ev): -39.2453 -39.2453 -39.2444 -39.2444 -20.2914 -20.2881 -20.2863 -20.2823 -18.8895 -18.8850 -18.8669 -18.8637 -18.8565 -18.8541 -18.8442 -18.8398 -9.0792 -9.0748 -9.0444 -9.0406 -1.0077 -1.0032 -0.9388 -0.9356 0.3331 0.3356 0.5803 0.5939 0.7615 0.7615 0.8307 0.8401 4.7179 4.7226 4.8120 4.8155 5.5505 5.5518 5.6482 5.6503 6.7687 6.7701 k = 0.5000 1.3706 1.2126 ( 4872 PWs) bands (ev): -39.2454 -39.2454 -39.2446 -39.2446 -20.2910 -20.2877 -20.2858 -20.2817 -18.8898 -18.8850 -18.8675 -18.8642 -18.8549 -18.8529 -18.8429 -18.8380 -9.0698 -9.0649 -9.0430 -9.0389 -1.0329 -1.0282 -0.9299 -0.9262 0.3289 0.3318 0.5870 0.6029 0.7162 0.7162 0.8321 0.8437 4.7234 4.7287 4.7926 4.7964 5.5597 5.5613 5.6496 5.6522 6.7625 6.7640 k = 0.5000 1.3450 1.1866 ( 4882 PWs) bands (ev): -39.2456 -39.2456 -39.2448 -39.2448 -20.2906 -20.2874 -20.2850 -20.2811 -18.8899 -18.8851 -18.8681 -18.8648 -18.8532 -18.8516 -18.8415 -18.8361 -9.0594 -9.0543 -9.0416 -9.0373 -1.0582 -1.0533 -0.9197 -0.9157 0.3206 0.3237 0.5886 0.6072 0.6736 0.6745 0.8344 0.8476 4.7296 4.7354 4.7757 4.7797 5.5701 5.5718 5.6528 5.6558 6.7544 6.7558 k = 0.5000 1.3194 1.1606 ( 4888 PWs) bands (ev): -39.2458 -39.2458 -39.2450 -39.2450 -20.2900 -20.2872 -20.2841 -20.2804 -18.8900 -18.8851 -18.8686 -18.8652 -18.8512 -18.8501 -18.8400 -18.8341 -9.0484 -9.0447 -9.0385 -9.0358 -1.0830 -1.0779 -0.9083 -0.9039 0.3056 0.3088 0.5803 0.5990 0.6446 0.6446 0.8371 0.8515 4.7364 4.7429 4.7622 4.7665 5.5816 5.5834 5.6578 5.6611 6.7441 6.7454 k = 0.5000 1.2938 1.1345 ( 4888 PWs) bands (ev): -39.2460 -39.2460 -39.2453 -39.2453 -20.2894 -20.2870 -20.2830 -20.2797 -18.8899 -18.8852 -18.8692 -18.8656 -18.8492 -18.8486 -18.8383 -18.8320 -9.0418 -9.0380 -9.0332 -9.0285 -1.1066 -1.1013 -0.8957 -0.8910 0.2809 0.2838 0.5613 0.5754 0.6308 0.6357 0.8398 0.8551 4.7433 4.7505 4.7532 4.7579 5.5940 5.5961 5.6646 5.6683 6.7312 6.7324 k = 0.5000 1.2682 1.1085 ( 4894 PWs) bands (ev): -39.2463 -39.2463 -39.2455 -39.2455 -20.2887 -20.2867 -20.2818 -20.2789 -18.8898 -18.8853 -18.8698 -18.8659 -18.8470 -18.8469 -18.8366 -18.8297 -9.0413 -9.0353 -9.0229 -9.0158 -1.1284 -1.1231 -0.8819 -0.8768 0.2447 0.2469 0.5430 0.5537 0.6243 0.6321 0.8424 0.8583 4.7474 4.7475 4.7574 4.7602 5.6075 5.6096 5.6732 5.6773 6.7157 6.7166 k = 0.5000 1.2426 1.0825 ( 4892 PWs) bands (ev): -39.2465 -39.2465 -39.2458 -39.2458 -20.2879 -20.2865 -20.2805 -20.2781 -18.8895 -18.8853 -18.8703 -18.8661 -18.8452 -18.8448 -18.8347 -18.8274 -9.0416 -9.0351 -9.0101 -9.0024 -1.1479 -1.1425 -0.8669 -0.8615 0.1973 0.1986 0.5321 0.5408 0.6185 0.6273 0.8449 0.8609 4.7471 4.7490 4.7648 4.7699 5.6217 5.6241 5.6835 5.6880 6.6973 6.6979 k = 0.5000 1.2170 1.0564 ( 4884 PWs) bands (ev): -39.2468 -39.2468 -39.2461 -39.2461 -20.2871 -20.2861 -20.2792 -20.2772 -18.8892 -18.8854 -18.8708 -18.8662 -18.8433 -18.8424 -18.8327 -18.8250 -9.0427 -9.0359 -8.9968 -8.9887 -1.1646 -1.1593 -0.8507 -0.8449 0.1413 0.1418 0.5287 0.5363 0.6109 0.6195 0.8471 0.8631 4.7515 4.7536 4.7747 4.7803 5.6368 5.6393 5.6954 5.7001 6.6760 6.6762 k = 0.5000 1.1914 1.0304 ( 4888 PWs) bands (ev): -39.2471 -39.2471 -39.2463 -39.2463 -20.2863 -20.2857 -20.2777 -20.2762 -18.8887 -18.8855 -18.8712 -18.8661 -18.8414 -18.8399 -18.8307 -18.8225 -9.0446 -9.0375 -8.9833 -8.9748 -1.1781 -1.1729 -0.8333 -0.8271 0.0795 0.0798 0.5309 0.5383 0.6011 0.6084 0.8493 0.8650 4.7602 4.7621 4.7857 4.7914 5.6525 5.6552 5.7085 5.7135 6.6516 6.6517 k = 0.5000 1.1658 1.0044 ( 4888 PWs) bands (ev): -39.2474 -39.2474 -39.2466 -39.2466 -20.2857 -20.2849 -20.2763 -20.2752 -18.8882 -18.8856 -18.8715 -18.8659 -18.8394 -18.8373 -18.8285 -18.8199 -9.0474 -9.0400 -8.9698 -8.9608 -1.1880 -1.1829 -0.8146 -0.8082 0.0144 0.0151 0.5363 0.5452 0.5893 0.5936 0.8517 0.8669 4.7727 4.7743 4.7977 4.8033 5.6688 5.6716 5.7225 5.7278 6.6242 6.6245 k = 0.5000 1.1402 0.9783 ( 4888 PWs) bands (ev): -39.2478 -39.2478 -39.2469 -39.2469 -20.2851 -20.2840 -20.2747 -20.2740 -18.8876 -18.8856 -18.8718 -18.8655 -18.8373 -18.8347 -18.8262 -18.8172 -9.0512 -9.0436 -8.9563 -8.9470 -1.1940 -1.1891 -0.7947 -0.7880 -0.0518 -0.0507 0.5406 0.5557 0.5752 0.5787 0.8544 0.8689 4.7884 4.7893 4.8107 4.8158 5.6854 5.6885 5.7371 5.7426 6.5943 6.5947 k = 0.5000 1.1146 0.9523 ( 4900 PWs) bands (ev): -39.2482 -39.2482 -39.2473 -39.2472 -20.2846 -20.2829 -20.2733 -20.2727 -18.8869 -18.8857 -18.8719 -18.8650 -18.8352 -18.8319 -18.8239 -18.8144 -9.0561 -9.0483 -8.9431 -8.9335 -1.1957 -1.1910 -0.7737 -0.7667 -0.1176 -0.1161 0.5338 0.5530 0.5693 0.5784 0.8578 0.8715 4.8059 4.8062 4.8249 4.8290 5.7022 5.7055 5.7517 5.7574 6.5624 6.5628 k = 0.5000 1.0890 0.9263 ( 4900 PWs) bands (ev): -39.2485 -39.2485 -39.2476 -39.2476 -20.2840 -20.2818 -20.2720 -20.2710 -18.8863 -18.8858 -18.8718 -18.8642 -18.8329 -18.8291 -18.8214 -18.8116 -9.0623 -9.0543 -8.9303 -8.9204 -1.1930 -1.1886 -0.7514 -0.7443 -0.1819 -0.1802 0.5145 0.5276 0.5851 0.5897 0.8620 0.8750 4.8231 4.8251 4.8403 4.8427 5.7188 5.7225 5.7657 5.7717 6.5289 6.5294 k = 0.5000 1.0634 0.9002 ( 4908 PWs) bands (ev): -39.2490 -39.2490 -39.2479 -39.2479 -20.2834 -20.2806 -20.2707 -20.2692 -18.8861 -18.8854 -18.8716 -18.8633 -18.8306 -18.8262 -18.8189 -18.8087 -9.0697 -9.0615 -8.9181 -8.9080 -1.1856 -1.1815 -0.7280 -0.7209 -0.2439 -0.2419 0.4889 0.4990 0.6031 0.6061 0.8672 0.8794 4.8396 4.8439 4.8569 4.8572 5.7350 5.7392 5.7785 5.7846 6.4947 6.4951 k = 0.5000 1.0378 0.8742 ( 4916 PWs) bands (ev): -39.2494 -39.2494 -39.2482 -39.2482 -20.2827 -20.2794 -20.2693 -20.2674 -18.8861 -18.8848 -18.8711 -18.8623 -18.8282 -18.8232 -18.8163 -18.8056 -9.0784 -9.0702 -8.9066 -8.8962 -1.1733 -1.1696 -0.7036 -0.6967 -0.3029 -0.3005 0.4597 0.4678 0.6229 0.6251 0.8736 0.8851 4.8550 4.8612 4.8721 4.8737 5.7504 5.7552 5.7891 5.7952 6.4608 6.4609 k = 0.5000 1.0122 0.8482 ( 4920 PWs) bands (ev): -39.2498 -39.2498 -39.2486 -39.2486 -20.2820 -20.2782 -20.2678 -20.2654 -18.8862 -18.8842 -18.8704 -18.8610 -18.8257 -18.8201 -18.8136 -18.8026 -9.0885 -9.0802 -8.8959 -8.8854 -1.1560 -1.1528 -0.6784 -0.6719 -0.3579 -0.3549 0.4276 0.4342 0.6443 0.6462 0.8811 0.8920 4.8695 4.8766 4.8870 4.8896 5.7644 5.7701 5.7966 5.8026 6.4279 6.4281 k = 0.5000 0.9866 0.8221 ( 4924 PWs) bands (ev): -39.2503 -39.2503 -39.2489 -39.2489 -20.2812 -20.2770 -20.2662 -20.2634 -18.8863 -18.8837 -18.8694 -18.8596 -18.8232 -18.8170 -18.8108 -18.7994 -9.1001 -9.0918 -8.8862 -8.8756 -1.1337 -1.1309 -0.6527 -0.6473 -0.4082 -0.4041 0.3935 0.3988 0.6673 0.6689 0.8900 0.9004 4.8827 4.8900 4.9006 4.9035 5.7763 5.7831 5.7998 5.8057 6.3973 6.3979 k = 0.5000 0.9610 0.7961 ( 4920 PWs) bands (ev): -39.2507 -39.2507 -39.2492 -39.2492 -20.2804 -20.2757 -20.2646 -20.2614 -18.8864 -18.8833 -18.8681 -18.8581 -18.8205 -18.8138 -18.8079 -18.7962 -9.1131 -9.1048 -8.8776 -8.8669 -1.1063 -1.1041 -0.6278 -0.6246 -0.4523 -0.4459 0.3579 0.3621 0.6916 0.6931 0.9001 0.9103 4.8941 4.9009 4.9124 4.9149 5.7852 5.7930 5.7981 5.8032 6.3700 6.3714 k = 0.5000 0.9353 0.7701 ( 4920 PWs) bands (ev): -39.2512 -39.2512 -39.2496 -39.2496 -20.2795 -20.2745 -20.2628 -20.2593 -18.8864 -18.8829 -18.8666 -18.8564 -18.8178 -18.8105 -18.8050 -18.7929 -9.1276 -9.1192 -8.8702 -8.8594 -1.0738 -1.0722 -0.6080 -0.6068 -0.4865 -0.4757 0.3214 0.3246 0.7172 0.7185 0.9117 0.9216 4.9027 4.9081 4.9226 4.9242 5.7883 5.7897 5.7946 5.8012 6.3469 6.3493 k = 0.5000 0.9097 0.7440 ( 4920 PWs) bands (ev): -39.2517 -39.2517 -39.2499 -39.2499 -20.2786 -20.2732 -20.2610 -20.2571 -18.8864 -18.8826 -18.8648 -18.8545 -18.8151 -18.8072 -18.8020 -18.7896 -9.1434 -9.1352 -8.8641 -8.8533 -1.0364 -1.0355 -0.6055 -0.5985 -0.5018 -0.4853 0.2844 0.2868 0.7439 0.7451 0.9248 0.9345 4.9069 4.9108 4.9313 4.9318 5.7728 5.7774 5.7903 5.8033 6.3284 6.3322 k = 0.5000 0.8841 0.7180 ( 4916 PWs) bands (ev): -39.2521 -39.2521 -39.2502 -39.2502 -20.2776 -20.2719 -20.2591 -20.2549 -18.8864 -18.8824 -18.8629 -18.8526 -18.8123 -18.8038 -18.7990 -18.7862 -9.1607 -9.1525 -8.8593 -8.8486 -0.9943 -0.9941 -0.6186 -0.6094 -0.4915 -0.4729 0.2476 0.2493 0.7716 0.7726 0.9393 0.9490 4.9061 4.9089 4.9378 4.9378 5.7501 5.7542 5.7833 5.7993 6.3141 6.3197 k = 0.5000 0.8585 0.6920 ( 4914 PWs) bands (ev): -39.2526 -39.2526 -39.2506 -39.2506 -20.2765 -20.2707 -20.2572 -20.2527 -18.8863 -18.8821 -18.8608 -18.8505 -18.8094 -18.8004 -18.7958 -18.7828 -9.1793 -9.1713 -8.8560 -8.8454 -0.9483 -0.9477 -0.6381 -0.6290 -0.4660 -0.4477 0.2115 0.2126 0.8001 0.8010 0.9553 0.9651 4.9007 4.9027 4.9411 4.9414 5.7210 5.7243 5.7682 5.7876 6.3027 6.3109 k = 0.5000 0.8329 0.6659 ( 4910 PWs) bands (ev): -39.2531 -39.2531 -39.2509 -39.2509 -20.2754 -20.2694 -20.2551 -20.2505 -18.8862 -18.8819 -18.8585 -18.8484 -18.8065 -18.7970 -18.7927 -18.7794 -9.1992 -9.1913 -8.8542 -8.8436 -0.8986 -0.8971 -0.6571 -0.6482 -0.4341 -0.4162 0.1770 0.1774 0.8292 0.8299 0.9728 0.9828 4.8911 4.8928 4.9400 4.9412 5.6861 5.6888 5.7439 5.7668 6.2923 6.3041 k = 0.5000 0.8073 0.6399 ( 4914 PWs) bands (ev): -39.2536 -39.2536 -39.2513 -39.2513 -20.2743 -20.2681 -20.2530 -20.2482 -18.8861 -18.8816 -18.8561 -18.8462 -18.8035 -18.7936 -18.7894 -18.7759 -9.2203 -9.2125 -8.8539 -8.8434 -0.8455 -0.8431 -0.6727 -0.6638 -0.3989 -0.3813 0.1446 0.1446 0.8588 0.8593 0.9919 1.0022 4.8779 4.8795 4.9334 4.9358 5.6467 5.6488 5.7097 5.7358 6.2794 6.2975 k = 0.5000 0.7817 0.6139 ( 4910 PWs) bands (ev): -39.2541 -39.2541 -39.2516 -39.2516 -20.2732 -20.2669 -20.2509 -20.2460 -18.8859 -18.8813 -18.8537 -18.8439 -18.8004 -18.7901 -18.7861 -18.7725 -9.2424 -9.2349 -8.8550 -8.8448 -0.7900 -0.7867 -0.6839 -0.6749 -0.3615 -0.3441 0.1151 0.1156 0.8885 0.8889 1.0125 1.0232 4.8619 4.8634 4.9200 4.9240 5.6037 5.6053 5.6655 5.6943 6.2585 6.2875 k = 0.5000 0.7561 0.5878 ( 4914 PWs) bands (ev): -39.2546 -39.2546 -39.2519 -39.2519 -20.2720 -20.2656 -20.2487 -20.2437 -18.8856 -18.8810 -18.8511 -18.8415 -18.7973 -18.7867 -18.7827 -18.7690 -9.2656 -9.2582 -8.8576 -8.8476 -0.7333 -0.7291 -0.6900 -0.6807 -0.3224 -0.3049 0.0902 0.0910 0.9182 0.9183 1.0347 1.0459 4.8435 4.8450 4.8983 4.9042 5.5584 5.5595 5.6116 5.6424 6.2255 6.2604 k = 0.5000 0.7305 0.5618 ( 4928 PWs) bands (ev): -39.2551 -39.2551 -39.2523 -39.2523 -20.2707 -20.2643 -20.2465 -20.2414 -18.8853 -18.8807 -18.8485 -18.8392 -18.7942 -18.7833 -18.7793 -18.7655 -9.2896 -9.2824 -8.8617 -8.8519 -0.6924 -0.6833 -0.6752 -0.6707 -0.2817 -0.2641 0.0717 0.0726 0.9474 0.9476 1.0583 1.0701 4.8232 4.8248 4.8673 4.8753 5.5119 5.5125 5.5492 5.5811 6.1876 6.2146 k = 0.5000 0.7049 0.5358 ( 4924 PWs) bands (ev): -39.2556 -39.2556 -39.2526 -39.2526 -20.2695 -20.2631 -20.2443 -20.2391 -18.8849 -18.8804 -18.8458 -18.8368 -18.7910 -18.7799 -18.7758 -18.7620 -9.3143 -9.3073 -8.8671 -8.8576 -0.6879 -0.6773 -0.6231 -0.6168 -0.2396 -0.2219 0.0619 0.0628 0.9759 0.9763 1.0835 1.0961 4.8012 4.8032 4.8263 4.8365 5.4651 5.4652 5.4795 5.5117 6.1540 6.1736 k = 0.5000 0.6793 0.5097 ( 4918 PWs) bands (ev): -39.2560 -39.2560 -39.2530 -39.2530 -20.2682 -20.2619 -20.2420 -20.2369 -18.8845 -18.8800 -18.8432 -18.8344 -18.7878 -18.7765 -18.7723 -18.7586 -9.3396 -9.3329 -8.8738 -8.8646 -0.6786 -0.6674 -0.5755 -0.5685 -0.1962 -0.1784 0.0637 0.0643 1.0032 1.0041 1.1101 1.1236 4.7746 4.7766 4.7810 4.7890 5.4026 5.4194 5.4198 5.4354 6.1284 6.1421 k = 0.5000 0.6537 0.4837 ( 4914 PWs) bands (ev): -39.2565 -39.2565 -39.2533 -39.2533 -20.2670 -20.2606 -20.2398 -20.2347 -18.8841 -18.8796 -18.8405 -18.8320 -18.7846 -18.7732 -18.7688 -18.7552 -9.3653 -9.3588 -8.8818 -8.8728 -0.6642 -0.6523 -0.5365 -0.5294 -0.1516 -0.1336 0.0799 0.0803 1.0291 1.0304 1.1381 1.1528 4.7137 4.7258 4.7569 4.7575 5.3218 5.3538 5.3751 5.3751 6.1117 6.1205 k = 0.5000 0.6281 0.4577 ( 4918 PWs) bands (ev): -39.2570 -39.2570 -39.2536 -39.2536 -20.2657 -20.2594 -20.2375 -20.2325 -18.8836 -18.8791 -18.8378 -18.8296 -18.7814 -18.7700 -18.7652 -18.7518 -9.3913 -9.3851 -8.8908 -8.8821 -0.6447 -0.6322 -0.5087 -0.5018 -0.1060 -0.0878 0.1118 0.1137 1.0531 1.0550 1.1675 1.1835 4.6436 4.6576 4.7327 4.7340 5.2371 5.2681 5.3327 5.3329 6.1034 6.1080 k = 0.5000 0.6025 0.4316 ( 4926 PWs) bands (ev): -39.2574 -39.2574 -39.2539 -39.2539 -20.2644 -20.2583 -20.2353 -20.2303 -18.8830 -18.8787 -18.8352 -18.8273 -18.7781 -18.7668 -18.7616 -18.7485 -9.4174 -9.4115 -8.9007 -8.8924 -0.6204 -0.6071 -0.4926 -0.4862 -0.0593 -0.0410 0.1602 0.1642 1.0747 1.0772 1.1983 1.2159 4.5662 4.5812 4.7088 4.7104 5.1497 5.1795 5.2928 5.2930 6.1022 6.1028 k = 0.5000 0.5769 0.4056 ( 4926 PWs) bands (ev): -39.2579 -39.2579 -39.2542 -39.2542 -20.2631 -20.2571 -20.2331 -20.2282 -18.8825 -18.8782 -18.8326 -18.8251 -18.7749 -18.7637 -18.7581 -18.7452 -9.4434 -9.4378 -8.9116 -8.9036 -0.5914 -0.5774 -0.4868 -0.4812 -0.0117 0.0067 0.2235 0.2300 1.0934 1.0967 1.2304 1.2499 4.4829 4.4986 4.6850 4.6869 5.0606 5.0891 5.2554 5.2556 6.0985 6.1023 k = 0.5000 0.5513 0.3796 ( 4926 PWs) bands (ev): -39.2583 -39.2583 -39.2546 -39.2545 -20.2618 -20.2560 -20.2310 -20.2262 -18.8819 -18.8777 -18.8300 -18.8229 -18.7717 -18.7607 -18.7546 -18.7420 -9.4693 -9.4639 -8.9230 -8.9155 -0.5578 -0.5432 -0.4891 -0.4843 0.0366 0.0552 0.2990 0.3081 1.1087 1.1127 1.2638 1.2854 4.3953 4.4114 4.6615 4.6638 4.9707 4.9979 5.2204 5.2206 6.0769 6.0793 k = 0.5000 0.5257 0.3535 ( 4922 PWs) bands (ev): -39.2587 -39.2587 -39.2548 -39.2548 -20.2605 -20.2549 -20.2288 -20.2242 -18.8813 -18.8773 -18.8275 -18.8207 -18.7685 -18.7577 -18.7511 -18.7390 -9.4948 -9.4897 -8.9351 -8.9279 -0.5205 -0.5068 -0.4948 -0.4925 0.0855 0.1042 0.3836 0.3956 1.1202 1.1250 1.2985 1.3224 4.3049 4.3212 4.6384 4.6412 4.8810 4.9067 5.1879 5.1880 6.0468 6.0475 k = 0.5000 0.5001 0.3275 ( 4916 PWs) bands (ev): -39.2591 -39.2591 -39.2551 -39.2551 -20.2593 -20.2539 -20.2268 -20.2223 -18.8806 -18.8768 -18.8251 -18.8187 -18.7654 -18.7549 -18.7477 -18.7360 -9.5197 -9.5150 -8.9475 -8.9407 -0.5099 -0.5067 -0.4764 -0.4607 0.1349 0.1536 0.4750 0.4900 1.1273 1.1329 1.3342 1.3608 4.2129 4.2292 4.6156 4.6191 4.7924 4.8164 5.1577 5.1578 6.0177 6.0182 k = 0.5000 0.4745 0.3015 ( 4916 PWs) bands (ev): -39.2594 -39.2594 -39.2554 -39.2554 -20.2581 -20.2529 -20.2248 -20.2205 -18.8800 -18.8763 -18.8228 -18.8167 -18.7623 -18.7522 -18.7443 -18.7331 -9.5441 -9.5396 -8.9601 -8.9538 -0.5236 -0.5206 -0.4311 -0.4143 0.1845 0.2032 0.5709 0.5891 1.1297 1.1360 1.3708 1.4004 4.1206 4.1368 4.5924 4.5975 4.7063 4.7278 5.1297 5.1298 5.9921 5.9934 k = 0.5000 0.4489 0.2754 ( 4914 PWs) bands (ev): -39.2598 -39.2598 -39.2556 -39.2556 -20.2569 -20.2520 -20.2229 -20.2188 -18.8794 -18.8758 -18.8206 -18.8149 -18.7593 -18.7496 -18.7410 -18.7304 -9.5675 -9.5634 -8.9728 -8.9669 -0.5386 -0.5360 -0.3817 -0.3641 0.2340 0.2527 0.6695 0.6913 1.1271 1.1341 1.4081 1.4410 4.0290 4.0448 4.5658 4.5759 4.6266 4.6423 5.1038 5.1039 5.9718 5.9741 k = 0.5000 0.4233 0.2494 ( 4918 PWs) bands (ev): -39.2601 -39.2601 -39.2559 -39.2559 -20.2557 -20.2511 -20.2210 -20.2172 -18.8787 -18.8754 -18.8184 -18.8132 -18.7564 -18.7472 -18.7379 -18.7278 -9.5901 -9.5862 -8.9855 -8.9799 -0.5540 -0.5518 -0.3289 -0.3106 0.2833 0.3020 0.7693 0.7951 1.1194 1.1269 1.4457 1.4824 3.9388 3.9543 4.5179 4.5448 4.5701 4.5718 5.0799 5.0800 5.9580 5.9612 k = 0.5000 0.3977 0.2234 ( 4912 PWs) bands (ev): -39.2604 -39.2604 -39.2561 -39.2561 -20.2546 -20.2503 -20.2193 -20.2156 -18.8781 -18.8749 -18.8164 -18.8115 -18.7536 -18.7449 -18.7349 -18.7254 -9.6115 -9.6079 -8.9978 -8.9927 -0.5693 -0.5674 -0.2730 -0.2541 0.3320 0.3505 0.8687 0.8990 1.1064 1.1143 1.4835 1.5243 3.8511 3.8661 4.4465 4.4733 4.5427 4.5451 5.0578 5.0579 5.9513 5.9555 k = 0.5000 0.3721 0.1973 ( 4916 PWs) bands (ev): -39.2607 -39.2607 -39.2563 -39.2563 -20.2536 -20.2496 -20.2176 -20.2142 -18.8775 -18.8745 -18.8146 -18.8101 -18.7509 -18.7427 -18.7320 -18.7232 -9.6317 -9.6284 -9.0098 -9.0051 -0.5842 -0.5825 -0.2144 -0.1949 0.3796 0.3981 0.9653 1.0013 1.0893 1.0967 1.5208 1.5661 3.7665 3.7809 4.3734 4.3983 4.5240 4.5251 5.0374 5.0375 5.9520 5.9574 k = 0.5000 0.3465 0.1713 ( 4914 PWs) bands (ev): -39.2610 -39.2610 -39.2565 -39.2565 -20.2526 -20.2489 -20.2160 -20.2129 -18.8769 -18.8741 -18.8128 -18.8087 -18.7483 -18.7408 -18.7292 -18.7211 -9.6505 -9.6476 -9.0212 -9.0169 -0.5982 -0.5968 -0.1534 -0.1333 0.4259 0.4443 1.0402 1.0662 1.0859 1.1088 1.5572 1.6075 3.6858 3.6995 4.3039 4.3274 4.5070 4.5075 5.0186 5.0187 5.9602 5.9668 k = 0.5000 0.3209 0.1453 ( 4902 PWs) bands (ev): -39.2612 -39.2612 -39.2566 -39.2566 -20.2516 -20.2483 -20.2146 -20.2118 -18.8763 -18.8738 -18.8112 -18.8075 -18.7459 -18.7390 -18.7266 -18.7193 -9.6679 -9.6653 -9.0320 -9.0281 -0.6113 -0.6100 -0.0903 -0.0697 0.4703 0.4886 1.0262 1.0398 1.1624 1.2033 1.5921 1.6475 3.6097 3.6226 4.2396 4.2618 4.4911 4.4912 5.0014 5.0015 5.9756 5.9834 k = 0.5000 0.2953 0.1192 ( 4906 PWs) bands (ev): -39.2614 -39.2614 -39.2568 -39.2568 -20.2507 -20.2477 -20.2133 -20.2107 -18.8757 -18.8735 -18.8097 -18.8064 -18.7437 -18.7375 -18.7243 -18.7176 -9.6838 -9.6814 -9.0419 -9.0385 -0.6232 -0.6222 -0.0256 -0.0044 0.5123 0.5305 0.9929 1.0052 1.2485 1.2963 1.6247 1.6855 3.5389 3.5509 4.1812 4.2022 4.4763 4.4764 4.9857 4.9858 5.9971 6.0061 k = 0.5000 0.2697 0.0932 ( 4894 PWs) bands (ev): -39.2616 -39.2616 -39.2569 -39.2569 -20.2499 -20.2473 -20.2121 -20.2098 -18.8752 -18.8732 -18.8084 -18.8055 -18.7416 -18.7361 -18.7221 -18.7162 -9.6980 -9.6959 -9.0509 -9.0480 -0.6339 -0.6330 0.0405 0.0621 0.5512 0.5696 0.9536 0.9652 1.3301 1.3842 1.6542 1.7204 3.4743 3.4852 4.1295 4.1490 4.4626 4.4628 4.9717 4.9717 6.0049 6.0138 k = 0.5000 0.2441 0.0672 ( 4900 PWs) bands (ev): -39.2618 -39.2618 -39.2570 -39.2570 -20.2492 -20.2469 -20.2110 -20.2090 -18.8747 -18.8730 -18.8072 -18.8047 -18.7398 -18.7350 -18.7201 -18.7150 -9.7104 -9.7086 -9.0590 -9.0564 -0.6433 -0.6426 0.1073 0.1294 0.5863 0.6051 0.9100 0.9207 1.4055 1.4657 1.6796 1.7509 3.4164 3.4261 4.0850 4.1028 4.4502 4.4504 4.9592 4.9592 5.9811 5.9894 k = 0.5000 0.2185 0.0412 ( 4904 PWs) bands (ev): -39.2620 -39.2620 -39.2571 -39.2571 -20.2485 -20.2466 -20.2100 -20.2084 -18.8743 -18.8729 -18.8061 -18.8040 -18.7381 -18.7341 -18.7183 -18.7141 -9.7210 -9.7196 -9.0659 -9.0637 -0.6514 -0.6508 0.1744 0.1968 0.6166 0.6365 0.8632 0.8721 1.4739 1.5398 1.7000 1.7759 3.3660 3.3744 4.0479 4.0637 4.4391 4.4394 4.9485 4.9485 5.9588 5.9660 k = 0.5000 0.1929 0.0151 ( 4918 PWs) bands (ev): -39.2621 -39.2621 -39.2572 -39.2572 -20.2480 -20.2464 -20.2092 -20.2079 -18.8739 -18.8727 -18.8052 -18.8035 -18.7366 -18.7334 -18.7168 -18.7133 -9.7298 -9.7286 -9.0716 -9.0699 -0.6580 -0.6575 0.2411 0.2636 0.6408 0.6634 0.8150 0.8203 1.5347 1.6059 1.7143 1.7940 3.3238 3.3307 4.0184 4.0318 4.4296 4.4299 4.9396 4.9396 5.9392 5.9451 k = 0.5000 0.1673-0.0109 ( 4930 PWs) bands (ev): -39.2622 -39.2622 -39.2573 -39.2573 -20.2475 -20.2463 -20.2086 -20.2076 -18.8736 -18.8727 -18.8045 -18.8032 -18.7354 -18.7330 -18.7154 -18.7129 -9.7366 -9.7357 -9.0761 -9.0748 -0.6631 -0.6628 0.3061 0.3284 0.6557 0.6851 0.7663 0.7693 1.5874 1.6632 1.7216 1.8041 3.2905 3.2958 3.9964 4.0069 4.4219 4.4221 4.9326 4.9326 5.9230 5.9275 k = 0.5000 0.1417-0.0369 ( 4930 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2471 -20.2463 -20.2080 -20.2074 -18.8733 -18.8727 -18.8039 -18.8030 -18.7344 -18.7328 -18.7144 -18.7127 -9.7415 -9.7409 -9.0793 -9.0784 -0.6668 -0.6666 0.3673 0.3881 0.6542 0.7011 0.7126 0.7359 1.6317 1.7104 1.7218 1.8053 3.2665 3.2701 3.9817 3.9889 4.4162 4.4164 4.9275 4.9275 5.9110 5.9140 k = 0.5000 0.1161-0.0630 ( 4938 PWs) bands (ev): -39.2624 -39.2624 -39.2574 -39.2574 -20.2467 -20.2463 -20.2076 -20.2073 -18.8730 -18.8727 -18.8034 -18.8030 -18.7336 -18.7328 -18.7136 -18.7127 -9.7444 -9.7441 -9.0811 -9.0807 -0.6690 -0.6689 0.4195 0.4347 0.6357 0.6630 0.7124 0.7231 1.6672 1.7115 1.7501 1.7968 3.2523 3.2542 3.9738 3.9775 4.4127 4.4128 4.9245 4.9245 5.9037 5.9053 k = 0.5000 0.0905-0.0890 ( 4942 PWs) bands (ev): -39.2624 -39.2624 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6697 -0.6697 0.4486 0.4486 0.6320 0.6320 0.7186 0.7186 1.6939 1.6939 1.7784 1.7784 3.2482 3.2482 3.9724 3.9724 4.4115 4.4115 4.9235 4.9235 5.9018 5.9018 k = 0.5000 0.0905 1.4058 ( 4906 PWs) bands (ev): -39.2522 -39.2522 -39.2515 -39.2515 -20.2697 -20.2697 -20.2686 -20.2686 -18.9093 -18.9093 -18.9070 -18.9070 -18.7585 -18.7585 -18.7572 -18.7572 -8.8813 -8.8813 -8.8803 -8.8803 -1.3941 -1.3941 -1.3937 -1.3937 0.1635 0.1635 0.1672 0.1672 0.4908 0.4908 0.4959 0.4959 5.1967 5.1967 5.2287 5.2287 6.1761 6.1761 6.2510 6.2510 6.4289 6.4289 k = 0.4878 0.0883 1.3715 ( 4908 PWs) bands (ev): -39.2522 -39.2522 -39.2515 -39.2515 -20.2705 -20.2695 -20.2685 -20.2680 -18.9103 -18.9084 -18.9078 -18.9056 -18.7589 -18.7583 -18.7577 -18.7565 -8.8975 -8.8969 -8.8666 -8.8654 -1.4175 -1.4172 -1.3657 -1.3655 0.1515 0.1548 0.1776 0.1818 0.4492 0.4544 0.5326 0.5375 5.1826 5.1847 5.2384 5.2409 6.1723 6.1731 6.2510 6.2515 6.4075 6.4112 k = 0.4756 0.0861 1.3372 ( 4904 PWs) bands (ev): -39.2523 -39.2523 -39.2515 -39.2515 -20.2711 -20.2699 -20.2675 -20.2671 -18.9111 -18.9091 -18.9063 -18.9040 -18.7593 -18.7589 -18.7574 -18.7558 -8.9154 -8.9151 -8.8537 -8.8522 -1.4361 -1.4359 -1.3328 -1.3327 0.1417 0.1447 0.1937 0.1986 0.4079 0.4136 0.5744 0.5792 5.1589 5.1611 5.2555 5.2587 6.1626 6.1642 6.2505 6.2512 6.3768 6.3829 k = 0.4634 0.0839 1.3029 ( 4904 PWs) bands (ev): -39.2524 -39.2524 -39.2515 -39.2515 -20.2717 -20.2702 -20.2664 -20.2660 -18.9116 -18.9097 -18.9044 -18.9020 -18.7598 -18.7596 -18.7569 -18.7550 -8.9348 -8.9347 -8.8425 -8.8408 -1.4499 -1.4496 -1.2953 -1.2952 0.1341 0.1369 0.2114 0.2175 0.3673 0.3739 0.6158 0.6206 5.1321 5.1342 5.2720 5.2754 6.1487 6.1510 6.2474 6.2481 6.3442 6.3530 k = 0.4512 0.0817 1.2686 ( 4903 PWs) bands (ev): -39.2526 -39.2526 -39.2515 -39.2515 -20.2721 -20.2704 -20.2652 -20.2648 -18.9119 -18.9100 -18.9022 -18.8998 -18.7603 -18.7602 -18.7565 -18.7543 -8.9559 -8.9557 -8.8331 -8.8311 -1.4587 -1.4584 -1.2534 -1.2534 0.1287 0.1312 0.2292 0.2374 0.3286 0.3370 0.6569 0.6617 5.1033 5.1052 5.2865 5.2901 6.1319 6.1352 6.2391 6.2400 6.3106 6.3222 k = 0.4390 0.0795 1.2343 ( 4905 PWs) bands (ev): -39.2527 -39.2527 -39.2516 -39.2516 -20.2723 -20.2704 -20.2639 -20.2634 -18.9118 -18.9101 -18.8998 -18.8973 -18.7610 -18.7606 -18.7560 -18.7536 -8.9783 -8.9779 -8.8255 -8.8232 -1.4626 -1.4622 -1.2074 -1.2072 0.1254 0.1277 0.2408 0.2528 0.2975 0.3093 0.6973 0.7022 5.0728 5.0745 5.2987 5.3025 6.1132 6.1176 6.2235 6.2253 6.2760 6.2908 k = 0.4268 0.0773 1.2001 ( 4904 PWs) bands (ev): -39.2529 -39.2529 -39.2516 -39.2516 -20.2725 -20.2703 -20.2625 -20.2618 -18.9115 -18.9099 -18.8972 -18.8946 -18.7617 -18.7609 -18.7555 -18.7528 -9.0021 -9.0013 -8.8196 -8.8171 -1.4615 -1.4611 -1.1573 -1.1570 0.1241 0.1261 0.2291 0.2366 0.3014 0.3082 0.7370 0.7420 5.0408 5.0423 5.3085 5.3125 6.0930 6.0990 6.1994 6.2021 6.2399 6.2584 k = 0.4146 0.0751 1.1658 ( 4907 PWs) bands (ev): -39.2531 -39.2531 -39.2517 -39.2517 -20.2725 -20.2701 -20.2610 -20.2601 -18.9110 -18.9095 -18.8943 -18.8917 -18.7623 -18.7613 -18.7551 -18.7521 -9.0269 -9.0260 -8.8155 -8.8128 -1.4555 -1.4550 -1.1034 -1.1030 0.1246 0.1263 0.1993 0.2027 0.3268 0.3289 0.7757 0.7808 5.0076 5.0089 5.3159 5.3199 6.0715 6.0794 6.1658 6.1694 6.2012 6.2244 k = 0.4024 0.0729 1.1315 ( 4907 PWs) bands (ev): -39.2534 -39.2534 -39.2518 -39.2518 -20.2723 -20.2698 -20.2594 -20.2583 -18.9102 -18.9088 -18.8912 -18.8885 -18.7629 -18.7615 -18.7546 -18.7513 -9.0528 -9.0516 -8.8132 -8.8102 -1.4446 -1.4441 -1.0461 -1.0454 0.1263 0.1271 0.1664 0.1688 0.3571 0.3573 0.8133 0.8186 4.9732 4.9744 5.3207 5.3246 6.0481 6.0584 6.1220 6.1274 6.1576 6.1878 k = 0.3902 0.0706 1.0972 ( 4909 PWs) bands (ev): -39.2537 -39.2537 -39.2519 -39.2519 -20.2721 -20.2694 -20.2577 -20.2564 -18.9092 -18.9080 -18.8879 -18.8851 -18.7635 -18.7618 -18.7541 -18.7506 -9.0796 -9.0782 -8.8125 -8.8093 -1.4289 -1.4282 -0.9856 -0.9847 0.1198 0.1212 0.1422 0.1458 0.3894 0.3906 0.8496 0.8550 4.9378 4.9389 5.3228 5.3266 6.0208 6.0341 6.0681 6.0768 6.1076 6.1456 k = 0.3780 0.0684 1.0629 ( 4914 PWs) bands (ev): -39.2540 -39.2540 -39.2520 -39.2520 -20.2717 -20.2689 -20.2559 -20.2544 -18.9080 -18.9069 -18.8844 -18.8816 -18.7639 -18.7619 -18.7536 -18.7498 -9.1073 -9.1057 -8.8134 -8.8101 -1.4084 -1.4076 -0.9225 -0.9213 0.0928 0.0940 0.1432 0.1460 0.4245 0.4266 0.8844 0.8900 4.9015 4.9025 5.3219 5.3253 5.9809 5.9951 6.0112 6.0198 6.0554 6.0921 k = 0.3659 0.0662 1.0286 ( 4910 PWs) bands (ev): -39.2542 -39.2542 -39.2522 -39.2522 -20.2713 -20.2683 -20.2540 -20.2524 -18.9066 -18.9057 -18.8807 -18.8778 -18.7644 -18.7620 -18.7531 -18.7490 -9.1355 -9.1338 -8.8159 -8.8124 -1.3832 -1.3823 -0.8572 -0.8558 0.0629 0.0641 0.1509 0.1531 0.4621 0.4650 0.9175 0.9233 4.8646 4.8655 5.3173 5.3201 5.9167 5.9272 5.9436 5.9592 6.0191 6.0328 k = 0.3537 0.0640 0.9943 ( 4906 PWs) bands (ev): -39.2546 -39.2546 -39.2523 -39.2523 -20.2707 -20.2675 -20.2521 -20.2503 -18.9050 -18.9044 -18.8769 -18.8739 -18.7647 -18.7620 -18.7525 -18.7482 -9.1644 -9.1624 -8.8199 -8.8162 -1.3535 -1.3524 -0.7907 -0.7889 0.0352 0.0364 0.1608 0.1628 0.5021 0.5057 0.9488 0.9548 4.8270 4.8278 5.3075 5.3092 5.8372 5.8463 5.8571 5.8770 5.9901 5.9954 k = 0.3415 0.0618 0.9600 ( 4905 PWs) bands (ev): -39.2549 -39.2549 -39.2525 -39.2525 -20.2700 -20.2667 -20.2501 -20.2481 -18.9034 -18.9028 -18.8729 -18.8699 -18.7649 -18.7619 -18.7520 -18.7474 -9.1936 -9.1915 -8.8253 -8.8214 -1.3193 -1.3181 -0.7241 -0.7219 0.0113 0.0126 0.1726 0.1743 0.5443 0.5486 0.9780 0.9842 4.7890 4.7897 5.2894 5.2901 5.7505 5.7581 5.7695 5.7837 5.9622 5.9725 k = 0.3293 0.0596 0.9258 ( 4904 PWs) bands (ev): -39.2552 -39.2552 -39.2527 -39.2527 -20.2693 -20.2659 -20.2481 -20.2459 -18.9016 -18.9012 -18.8689 -18.8658 -18.7651 -18.7617 -18.7513 -18.7465 -9.2232 -9.2209 -8.8320 -8.8280 -1.2808 -1.2794 -0.6590 -0.6564 -0.0071 -0.0057 0.1860 0.1874 0.5885 0.5936 1.0051 1.0115 4.7506 4.7513 5.2565 5.2597 5.6624 5.6730 5.6819 5.6968 5.9380 5.9511 k = 0.3171 0.0574 0.8915 ( 4904 PWs) bands (ev): -39.2556 -39.2556 -39.2529 -39.2529 -20.2684 -20.2650 -20.2460 -20.2437 -18.8997 -18.8994 -18.8648 -18.8616 -18.7651 -18.7614 -18.7507 -18.7455 -9.2529 -9.2506 -8.8398 -8.8357 -1.2381 -1.2365 -0.5978 -0.5949 -0.0178 -0.0161 0.2008 0.2020 0.6347 0.6407 1.0298 1.0365 4.7120 4.7126 5.2046 5.2112 5.5722 5.5878 5.6110 5.6260 5.9160 5.9308 k = 0.3049 0.0552 0.8572 ( 4907 PWs) bands (ev): -39.2559 -39.2559 -39.2531 -39.2531 -20.2675 -20.2640 -20.2439 -20.2415 -18.8979 -18.8975 -18.8607 -18.8573 -18.7650 -18.7610 -18.7499 -18.7446 -9.2827 -9.2802 -8.8487 -8.8446 -1.1915 -1.1895 -0.5439 -0.5407 -0.0176 -0.0155 0.2170 0.2178 0.6828 0.6897 1.0521 1.0591 4.6733 4.6739 5.1319 5.1417 5.4804 5.4965 5.5672 5.5777 5.8958 5.9116 k = 0.2927 0.0530 0.8229 ( 4909 PWs) bands (ev): -39.2563 -39.2563 -39.2533 -39.2533 -20.2666 -20.2630 -20.2417 -20.2392 -18.8961 -18.8955 -18.8565 -18.8531 -18.7647 -18.7604 -18.7491 -18.7435 -9.3124 -9.3099 -8.8586 -8.8544 -1.1410 -1.1388 -0.5007 -0.4975 -0.0031 -0.0002 0.2343 0.2348 0.7326 0.7406 1.0718 1.0790 4.6346 4.6351 5.0424 5.0544 5.3881 5.4042 5.5427 5.5500 5.8777 5.8940 k = 0.2805 0.0508 0.7886 ( 4913 PWs) bands (ev): -39.2567 -39.2567 -39.2535 -39.2535 -20.2656 -20.2619 -20.2396 -20.2370 -18.8943 -18.8935 -18.8524 -18.8488 -18.7643 -18.7597 -18.7482 -18.7424 -9.3419 -9.3393 -8.8694 -8.8651 -1.0869 -1.0843 -0.4713 -0.4682 0.0285 0.0324 0.2526 0.2529 0.7839 0.7931 1.0888 1.0964 4.5961 4.5965 4.9425 4.9555 5.2961 5.3122 5.5315 5.5372 5.8620 5.8786 k = 0.2683 0.0486 0.7543 ( 4909 PWs) bands (ev): -39.2571 -39.2571 -39.2537 -39.2537 -20.2645 -20.2608 -20.2374 -20.2348 -18.8924 -18.8915 -18.8483 -18.8447 -18.7637 -18.7589 -18.7473 -18.7412 -9.3711 -9.3685 -8.8808 -8.8765 -1.0294 -1.0264 -0.4559 -0.4530 0.0772 0.0824 0.2718 0.2719 0.8366 0.8472 1.1030 1.1110 4.5577 4.5582 4.8369 4.8502 5.2051 5.2212 5.5290 5.5340 5.8492 5.8658 k = 0.2561 0.0464 0.7200 ( 4906 PWs) bands (ev): -39.2574 -39.2574 -39.2540 -39.2540 -20.2634 -20.2597 -20.2353 -20.2326 -18.8907 -18.8895 -18.8443 -18.8406 -18.7630 -18.7579 -18.7462 -18.7399 -9.3999 -9.3972 -8.8928 -8.8885 -0.9686 -0.9651 -0.4522 -0.4496 0.1405 0.1471 0.2915 0.2919 0.8905 0.9026 1.1144 1.1228 4.5197 4.5202 4.7288 4.7421 5.1155 5.1317 5.5320 5.5367 5.8399 5.8565 k = 0.2439 0.0442 0.6857 ( 4909 PWs) bands (ev): -39.2578 -39.2578 -39.2542 -39.2542 -20.2623 -20.2587 -20.2332 -20.2304 -18.8889 -18.8876 -18.8404 -18.8366 -18.7621 -18.7568 -18.7450 -18.7386 -9.4281 -9.4254 -8.9053 -8.9010 -0.9049 -0.9009 -0.4568 -0.4545 0.2147 0.2230 0.3117 0.3126 0.9452 0.9591 1.1231 1.1319 4.4822 4.4826 4.6203 4.6333 5.0278 5.0440 5.5383 5.5429 5.8349 5.8511 k = 0.2317 0.0419 0.6515 ( 4914 PWs) bands (ev): -39.2582 -39.2582 -39.2545 -39.2545 -20.2612 -20.2576 -20.2311 -20.2283 -18.8873 -18.8857 -18.8366 -18.8328 -18.7611 -18.7556 -18.7436 -18.7371 -9.4557 -9.4530 -8.9181 -8.9139 -0.8383 -0.8338 -0.4670 -0.4649 0.2966 0.3066 0.3326 0.3339 1.0003 1.0163 1.1291 1.1386 4.4451 4.4454 4.5126 4.5253 4.9423 4.9585 5.5462 5.5508 5.8348 5.8505 k = 0.2195 0.0397 0.6172 ( 4919 PWs) bands (ev): -39.2586 -39.2586 -39.2547 -39.2547 -20.2601 -20.2565 -20.2290 -20.2263 -18.8857 -18.8840 -18.8330 -18.8292 -18.7598 -18.7542 -18.7422 -18.7356 -9.4825 -9.4799 -8.9311 -8.9270 -0.7693 -0.7642 -0.4804 -0.4786 0.3529 0.3549 0.3848 0.3965 1.0547 1.0729 1.1337 1.1436 4.4005 4.4063 4.4145 4.4213 4.8593 4.8754 5.5544 5.5588 5.8405 5.8554 k = 0.2073 0.0375 0.5829 ( 4914 PWs) bands (ev): -39.2589 -39.2589 -39.2550 -39.2550 -20.2590 -20.2554 -20.2270 -20.2243 -18.8842 -18.8824 -18.8296 -18.8258 -18.7585 -18.7527 -18.7406 -18.7339 -9.5085 -9.5059 -8.9441 -8.9401 -0.6980 -0.6922 -0.4958 -0.4941 0.3742 0.3766 0.4756 0.4895 1.1029 1.1164 1.1490 1.1521 4.3003 4.3124 4.3747 4.3752 4.7789 4.7949 5.5618 5.5659 5.8524 5.8659 k = 0.1951 0.0353 0.5486 ( 4914 PWs) bands (ev): -39.2592 -39.2592 -39.2552 -39.2552 -20.2578 -20.2544 -20.2251 -20.2224 -18.8828 -18.8809 -18.8264 -18.8226 -18.7569 -18.7512 -18.7389 -18.7322 -9.5336 -9.5310 -8.9572 -8.9533 -0.6247 -0.6182 -0.5120 -0.5104 0.3953 0.3983 0.5688 0.5851 1.1218 1.1237 1.1852 1.1996 4.1985 4.2103 4.3400 4.3404 4.7013 4.7173 5.5676 5.5714 5.8702 5.8817 k = 0.1829 0.0331 0.5143 ( 4912 PWs) bands (ev): -39.2596 -39.2596 -39.2554 -39.2554 -20.2568 -20.2534 -20.2232 -20.2206 -18.8815 -18.8796 -18.8234 -18.8197 -18.7553 -18.7495 -18.7371 -18.7305 -9.5576 -9.5551 -8.9701 -8.9663 -0.5502 -0.5425 -0.5286 -0.5267 0.4161 0.4197 0.6632 0.6822 1.1169 1.1226 1.2367 1.2577 4.0994 4.1109 4.3065 4.3070 4.6266 4.6427 5.5717 5.5750 5.8931 5.9013 k = 0.1707 0.0309 0.4800 ( 4913 PWs) bands (ev): -39.2599 -39.2599 -39.2556 -39.2556 -20.2557 -20.2525 -20.2214 -20.2189 -18.8803 -18.8784 -18.8206 -18.8170 -18.7535 -18.7478 -18.7351 -18.7287 -9.5804 -9.5781 -8.9827 -8.9791 -0.5450 -0.5439 -0.4730 -0.4652 0.4365 0.4409 0.7578 0.7798 1.1082 1.1151 1.2911 1.3163 4.0035 4.0147 4.2743 4.2747 4.5551 4.5711 5.5741 5.5768 5.9184 5.9219 k = 0.1585 0.0287 0.4457 ( 4916 PWs) bands (ev): -39.2602 -39.2602 -39.2559 -39.2559 -20.2546 -20.2516 -20.2197 -20.2172 -18.8793 -18.8773 -18.8181 -18.8146 -18.7517 -18.7461 -18.7331 -18.7268 -9.6021 -9.5998 -8.9949 -8.9915 -0.5610 -0.5599 -0.3957 -0.3868 0.4564 0.4615 0.8516 0.8772 1.0965 1.1037 1.3453 1.3745 3.9113 3.9221 4.2434 4.2438 4.4868 4.5027 5.5750 5.5773 5.9398 5.9426 k = 0.1463 0.0265 0.4114 ( 4915 PWs) bands (ev): -39.2605 -39.2605 -39.2561 -39.2561 -20.2537 -20.2508 -20.2181 -20.2157 -18.8783 -18.8764 -18.8158 -18.8125 -18.7498 -18.7443 -18.7311 -18.7250 -9.6225 -9.6203 -9.0066 -9.0034 -0.5762 -0.5752 -0.3175 -0.3076 0.4756 0.4816 0.9431 0.9732 1.0829 1.0893 1.3982 1.4315 3.8231 3.8335 4.2140 4.2143 4.4219 4.4376 5.5748 5.5767 5.9555 5.9621 k = 0.1341 0.0243 0.3772 ( 4915 PWs) bands (ev): -39.2608 -39.2608 -39.2563 -39.2563 -20.2527 -20.2500 -20.2166 -20.2143 -18.8774 -18.8756 -18.8137 -18.8106 -18.7478 -18.7426 -18.7290 -18.7232 -9.6415 -9.6394 -9.0178 -9.0148 -0.5906 -0.5897 -0.2389 -0.2280 0.4940 0.5009 1.0235 1.0573 1.0753 1.0821 1.4493 1.4868 3.7393 3.7493 4.1860 4.1863 4.3605 4.3760 5.5739 5.5754 5.9702 5.9786 k = 0.1220 0.0221 0.3429 ( 4917 PWs) bands (ev): -39.2610 -39.2610 -39.2565 -39.2565 -20.2518 -20.2493 -20.2151 -20.2130 -18.8767 -18.8749 -18.8118 -18.8090 -18.7459 -18.7410 -18.7269 -18.7215 -9.6590 -9.6572 -9.0283 -9.0255 -0.6040 -0.6032 -0.1604 -0.1483 0.5113 0.5193 1.0329 1.0470 1.1329 1.1637 1.4978 1.5399 3.6604 3.6700 4.1595 4.1599 4.3029 4.3180 5.5724 5.5736 5.9858 5.9948 k = 0.1098 0.0199 0.3086 ( 4914 PWs) bands (ev): -39.2613 -39.2613 -39.2566 -39.2566 -20.2509 -20.2486 -20.2138 -20.2119 -18.8760 -18.8743 -18.8102 -18.8076 -18.7440 -18.7394 -18.7248 -18.7198 -9.6751 -9.6734 -9.0380 -9.0355 -0.6163 -0.6156 -0.0823 -0.0691 0.5274 0.5367 1.0115 1.0229 1.2149 1.2527 1.5432 1.5900 3.5870 3.5959 4.1345 4.1351 4.2495 4.2640 5.5707 5.5716 6.0030 6.0121 k = 0.0976 0.0177 0.2743 ( 4916 PWs) bands (ev): -39.2615 -39.2615 -39.2568 -39.2568 -20.2502 -20.2481 -20.2126 -20.2109 -18.8754 -18.8739 -18.8088 -18.8064 -18.7422 -18.7380 -18.7228 -18.7183 -9.6897 -9.6881 -9.0469 -9.0446 -0.6275 -0.6269 -0.0052 0.0094 0.5423 0.5530 0.9849 0.9953 1.2946 1.3380 1.5847 1.6365 3.5193 3.5277 4.1108 4.1119 4.2009 4.2143 5.5688 5.5695 6.0221 6.0312 k = 0.0854 0.0155 0.2400 ( 4919 PWs) bands (ev): -39.2617 -39.2617 -39.2569 -39.2569 -20.2494 -20.2476 -20.2115 -20.2099 -18.8748 -18.8735 -18.8075 -18.8055 -18.7405 -18.7367 -18.7209 -18.7169 -9.7026 -9.7012 -9.0549 -9.0529 -0.6375 -0.6369 0.0704 0.0863 0.5558 0.5682 0.9548 0.9642 1.3697 1.4185 1.6218 1.6786 3.4581 3.4658 4.0880 4.0900 4.1580 4.1697 5.5669 5.5674 6.0426 6.0510 k = 0.0732 0.0132 0.2057 ( 4924 PWs) bands (ev): -39.2619 -39.2619 -39.2571 -39.2571 -20.2488 -20.2472 -20.2105 -20.2092 -18.8744 -18.8732 -18.8064 -18.8047 -18.7388 -18.7355 -18.7192 -18.7157 -9.7139 -9.7127 -9.0619 -9.0602 -0.6462 -0.6457 0.1439 0.1612 0.5679 0.5822 0.9218 0.9300 1.4391 1.4932 1.6539 1.7155 3.4038 3.4106 4.0651 4.0686 4.1223 4.1314 5.5651 5.5655 6.0471 6.0529 k = 0.0610 0.0110 0.1714 ( 4922 PWs) bands (ev): -39.2620 -39.2620 -39.2572 -39.2572 -20.2482 -20.2469 -20.2097 -20.2085 -18.8740 -18.8730 -18.8055 -18.8041 -18.7374 -18.7346 -18.7176 -18.7146 -9.7235 -9.7225 -9.0680 -9.0665 -0.6536 -0.6532 0.2143 0.2330 0.5786 0.5952 0.8860 0.8927 1.5019 1.5610 1.6802 1.7462 3.3569 3.3628 4.0416 4.0469 4.0948 4.1008 5.5635 5.5638 6.0025 6.0080 k = 0.0488 0.0088 0.1371 ( 4919 PWs) bands (ev): -39.2621 -39.2621 -39.2573 -39.2573 -20.2477 -20.2466 -20.2090 -20.2080 -18.8737 -18.8729 -18.8048 -18.8036 -18.7361 -18.7338 -18.7162 -18.7138 -9.7314 -9.7305 -9.0729 -9.0717 -0.6597 -0.6594 0.2805 0.3004 0.5882 0.6074 0.8482 0.8528 1.5572 1.6207 1.7005 1.7699 3.3179 3.3228 4.0186 4.0249 4.0752 4.0786 5.5621 5.5624 5.9614 5.9659 k = 0.0366 0.0066 0.1029 ( 4918 PWs) bands (ev): -39.2622 -39.2622 -39.2573 -39.2573 -20.2473 -20.2465 -20.2084 -20.2077 -18.8734 -18.8728 -18.8042 -18.8033 -18.7350 -18.7333 -18.7151 -18.7133 -9.7375 -9.7369 -9.0768 -9.0759 -0.6645 -0.6643 0.3407 0.3611 0.5976 0.6192 0.8094 0.8111 1.6046 1.6699 1.7156 1.7857 3.2873 3.2910 3.9986 4.0044 4.0617 4.0635 5.5610 5.5612 5.9284 5.9319 k = 0.0244 0.0044 0.0686 ( 4916 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2469 -20.2464 -20.2079 -20.2074 -18.8732 -18.8728 -18.8037 -18.8031 -18.7342 -18.7330 -18.7141 -18.7129 -9.7419 -9.7414 -9.0795 -9.0789 -0.6679 -0.6677 0.3921 0.4106 0.6086 0.6309 0.7698 0.7716 1.6434 1.7004 1.7323 1.7927 3.2653 3.2678 3.9834 3.9878 4.0528 4.0537 5.5602 5.5604 5.9046 5.9069 k = 0.0122 0.0022 0.0343 ( 4909 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2467 -20.2464 -20.2076 -20.2073 -18.8730 -18.8728 -18.8034 -18.8031 -18.7335 -18.7329 -18.7134 -18.7128 -9.7444 -9.7442 -9.0811 -9.0808 -0.6699 -0.6699 0.4301 0.4420 0.6239 0.6411 0.7347 0.7389 1.6733 1.7044 1.7575 1.7904 3.2522 3.2535 3.9745 3.9768 4.0477 4.0481 5.5598 5.5598 5.8903 5.8915 k = 0.0000 0.0000 0.0000 ( 4915 PWs) bands (ev): -39.2623 -39.2623 -39.2574 -39.2574 -20.2465 -20.2465 -20.2074 -20.2074 -18.8729 -18.8729 -18.8031 -18.8031 -18.7331 -18.7331 -18.7130 -18.7130 -9.7452 -9.7452 -9.0816 -9.0816 -0.6706 -0.6706 0.4486 0.4486 0.6398 0.6398 0.7215 0.7215 1.6939 1.6939 1.7784 1.7784 3.2483 3.2483 3.9722 3.9722 4.0462 4.0462 5.5596 5.5596 5.8859 5.8859 Writing output data file YS.save init_run : 4.34s CPU 12.11s WALL ( 1 calls) electrons : 913.66s CPU 922.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.72s CPU 1.41s WALL ( 1 calls) Called by electrons: c_bands : 913.62s CPU 921.67s WALL ( 1 calls) v_of_rho : 0.17s CPU 0.70s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.14s CPU 0.51s WALL ( 1 calls) newd : 0.66s CPU 0.75s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 404 calls) cegterg : 848.28s CPU 853.26s WALL ( 1091 calls) Called by sum_band: Called by *egterg: h_psi : 558.19s CPU 568.72s WALL ( 19169 calls) s_psi : 34.64s CPU 35.43s WALL ( 19169 calls) g_psi : 0.72s CPU 0.79s WALL ( 17674 calls) cdiaghg : 203.08s CPU 198.68s WALL ( 18078 calls) cegterg:over : 47.77s CPU 44.37s WALL ( 17674 calls) cegterg:upda : 9.30s CPU 13.91s WALL ( 17674 calls) cegterg:last : 9.06s CPU 10.19s WALL ( 2709 calls) Called by h_psi: h_psi:vloc : 489.16s CPU 498.59s WALL ( 19169 calls) h_psi:vnl : 68.63s CPU 69.19s WALL ( 19169 calls) add_vuspsi : 23.26s CPU 28.54s WALL ( 19169 calls) General routines calbec : 45.31s CPU 40.53s WALL ( 19169 calls) fft : 0.86s CPU 1.70s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 451.27s CPU 455.18s WALL ( 1285212 calls) interpolate : 0.26s CPU 0.26s WALL ( 4 calls) davcio : 0.03s CPU 1.28s WALL ( 808 calls) Parallel routines fft_scatter : 188.93s CPU 189.35s WALL ( 1285235 calls) PWSCF : 16m12.95s CPU 17m35.43s WALL This run was terminated on: 17: 9:19 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=