Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:55:40 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./CaGe2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 88 59 17 1983 1083 173 Max 89 60 18 1985 1099 175 Sum 3169 2125 629 71429 39293 6261 bravais-lattice index = 14 lattice parameter (alat) = 19.8246 a.u. unit-cell volume = 933.2572 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 19.824640 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.929151 celldm(5)= 0.929151 celldm(6)= 0.929151 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.929151 0.369699 0.000000 ) a(3) = ( 0.929151 0.178061 0.323994 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.513261 -1.486564 ) b(2) = ( 0.000000 2.704900 -1.486564 ) b(3) = ( 0.000000 0.000000 3.086479 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Ca 10.00 40.07800 Ca( 1.00) 2 Sym. Ops., with inversion, 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 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 294 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0106383 -0.0267368 -0.0158145), wk = 0.0034014 k( 3) = ( 0.0212766 -0.0534737 -0.0316290), wk = 0.0034014 k( 4) = ( 0.0319149 -0.0802105 -0.0474435), wk = 0.0034014 k( 5) = ( 0.0425532 -0.1069473 -0.0632580), wk = 0.0034014 k( 6) = ( 0.0531915 -0.1336841 -0.0790725), wk = 0.0034014 k( 7) = ( 0.0638298 -0.1604209 -0.0948871), wk = 0.0034014 k( 8) = ( 0.0744681 -0.1871578 -0.1107016), wk = 0.0034014 k( 9) = ( 0.0851064 -0.2138946 -0.1265161), wk = 0.0034014 k( 10) = ( 0.0957447 -0.2406314 -0.1423306), wk = 0.0034014 k( 11) = ( 0.1063830 -0.2673682 -0.1581451), wk = 0.0034014 k( 12) = ( 0.1170213 -0.2941051 -0.1739596), wk = 0.0034014 k( 13) = ( 0.1276596 -0.3208419 -0.1897741), wk = 0.0034014 k( 14) = ( 0.1382979 -0.3475787 -0.2055886), wk = 0.0034014 k( 15) = ( 0.1489362 -0.3743155 -0.2214031), wk = 0.0034014 k( 16) = ( 0.1595745 -0.4010524 -0.2372176), wk = 0.0034014 k( 17) = ( 0.1702128 -0.4277892 -0.2530321), wk = 0.0034014 k( 18) = ( 0.1808511 -0.4545260 -0.2688466), wk = 0.0034014 k( 19) = ( 0.1914894 -0.4812628 -0.2846611), wk = 0.0034014 k( 20) = ( 0.2021277 -0.5079996 -0.3004757), wk = 0.0034014 k( 21) = ( 0.2127660 -0.5347365 -0.3162902), wk = 0.0034014 k( 22) = ( 0.2234043 -0.5614733 -0.3321047), wk = 0.0034014 k( 23) = ( 0.2340425 -0.5882101 -0.3479192), wk = 0.0034014 k( 24) = ( 0.2446809 -0.6149469 -0.3637337), wk = 0.0034014 k( 25) = ( 0.2553191 -0.6416838 -0.3795482), wk = 0.0034014 k( 26) = ( 0.2659574 -0.6684206 -0.3953627), wk = 0.0034014 k( 27) = ( 0.2765957 -0.6951574 -0.4111772), wk = 0.0034014 k( 28) = ( 0.2872340 -0.7218942 -0.4269917), wk = 0.0034014 k( 29) = ( 0.2978723 -0.7486310 -0.4428062), wk = 0.0034014 k( 30) = ( 0.3085106 -0.7753679 -0.4586207), wk = 0.0034014 k( 31) = ( 0.3191489 -0.8021047 -0.4744352), wk = 0.0034014 k( 32) = ( 0.3297872 -0.8288415 -0.4902497), wk = 0.0034014 k( 33) = ( 0.3404255 -0.8555783 -0.5060643), wk = 0.0034014 k( 34) = ( 0.3510638 -0.8823152 -0.5218788), wk = 0.0034014 k( 35) = ( 0.3617021 -0.9090520 -0.5376933), wk = 0.0034014 k( 36) = ( 0.3723404 -0.9357888 -0.5535078), wk = 0.0034014 k( 37) = ( 0.3829787 -0.9625256 -0.5693223), wk = 0.0034014 k( 38) = ( 0.3936170 -0.9892625 -0.5851368), wk = 0.0034014 k( 39) = ( 0.4042553 -1.0159993 -0.6009513), wk = 0.0034014 k( 40) = ( 0.4148936 -1.0427361 -0.6167658), wk = 0.0034014 k( 41) = ( 0.4255319 -1.0694729 -0.6325803), wk = 0.0034014 k( 42) = ( 0.4361702 -1.0962097 -0.6483948), wk = 0.0034014 k( 43) = ( 0.4468085 -1.1229466 -0.6642093), wk = 0.0034014 k( 44) = ( 0.4574468 -1.1496834 -0.6800239), wk = 0.0034014 k( 45) = ( 0.4680851 -1.1764202 -0.6958384), wk = 0.0034014 k( 46) = ( 0.4787234 -1.2031570 -0.7116529), wk = 0.0034014 k( 47) = ( 0.4893617 -1.2298939 -0.7274674), wk = 0.0034014 k( 48) = ( 0.5000000 -1.2566307 -0.7432819), wk = 0.0034014 k( 49) = ( 0.5000000 -1.2566307 -0.7432819), wk = 0.0034014 k( 50) = ( 0.5000000 -1.2397319 -0.7718518), wk = 0.0034014 k( 51) = ( 0.5000000 -1.2228332 -0.8004217), wk = 0.0034014 k( 52) = ( 0.5000000 -1.2059344 -0.8289916), wk = 0.0034014 k( 53) = ( 0.5000000 -1.1890357 -0.8575615), wk = 0.0034014 k( 54) = ( 0.5000000 -1.1721369 -0.8861315), wk = 0.0034014 k( 55) = ( 0.5000000 -1.1552381 -0.9147014), wk = 0.0034014 k( 56) = ( 0.5000000 -1.1383393 -0.9432713), wk = 0.0034014 k( 57) = ( 0.5000000 -1.1214406 -0.9718412), wk = 0.0034014 k( 58) = ( 0.5000000 -1.1045418 -1.0004112), wk = 0.0034014 k( 59) = ( 0.5000000 -1.0876431 -1.0289811), wk = 0.0034014 k( 60) = ( 0.5000000 -1.0707443 -1.0575510), wk = 0.0034014 k( 61) = ( 0.5000000 -1.0538455 -1.0861209), wk = 0.0034014 k( 62) = ( 0.5000000 -1.0369468 -1.1146909), wk = 0.0034014 k( 63) = ( 0.5000000 -1.0200480 -1.1432608), wk = 0.0034014 k( 64) = ( 0.5000000 -1.0031492 -1.1718307), wk = 0.0034014 k( 65) = ( 0.5000000 -0.9862505 -1.2004006), wk = 0.0034014 k( 66) = ( 0.5000000 -0.9693517 -1.2289705), wk = 0.0034014 k( 67) = ( 0.5000000 -0.9524529 -1.2575405), wk = 0.0034014 k( 68) = ( 0.5000000 -0.9355542 -1.2861104), wk = 0.0034014 k( 69) = ( 0.5000000 -0.9186554 -1.3146803), wk = 0.0034014 k( 70) = ( 0.5000000 -0.9017567 -1.3432502), wk = 0.0034014 k( 71) = ( 0.5000000 -0.8848579 -1.3718201), wk = 0.0034014 k( 72) = ( 0.5000000 -0.8679591 -1.4003901), wk = 0.0034014 k( 73) = ( 0.5000000 -0.8510604 -1.4289600), wk = 0.0034014 k( 74) = ( 0.5000000 -0.8341616 -1.4575299), wk = 0.0034014 k( 75) = ( 0.5000000 -0.8172628 -1.4860998), wk = 0.0034014 k( 76) = ( 0.5000000 -0.8003641 -1.5146697), wk = 0.0034014 k( 77) = ( 0.5000000 -0.7834653 -1.5432396), wk = 0.0034014 k( 78) = ( 0.8250710 -0.7211692 -1.4298879), wk = 0.0034014 k( 79) = ( 0.8188197 -0.7054579 -1.4013001), wk = 0.0034014 k( 80) = ( 0.8125683 -0.6897466 -1.3727124), wk = 0.0034014 k( 81) = ( 0.8063169 -0.6740353 -1.3441246), wk = 0.0034014 k( 82) = ( 0.8000656 -0.6583240 -1.3155368), wk = 0.0034014 k( 83) = ( 0.7938142 -0.6426127 -1.2869491), wk = 0.0034014 k( 84) = ( 0.7875628 -0.6269013 -1.2583613), wk = 0.0034014 k( 85) = ( 0.7813115 -0.6111900 -1.2297735), wk = 0.0034014 k( 86) = ( 0.7750601 -0.5954787 -1.2011857), wk = 0.0034014 k( 87) = ( 0.7688087 -0.5797674 -1.1725980), wk = 0.0034014 k( 88) = ( 0.7625574 -0.5640561 -1.1440102), wk = 0.0034014 k( 89) = ( 0.7563060 -0.5483448 -1.1154224), wk = 0.0034014 k( 90) = ( 0.7500546 -0.5326335 -1.0868347), wk = 0.0034014 k( 91) = ( 0.7438033 -0.5169221 -1.0582469), wk = 0.0034014 k( 92) = ( 0.7375519 -0.5012108 -1.0296592), wk = 0.0034014 k( 93) = ( 0.7313005 -0.4854995 -1.0010714), wk = 0.0034014 k( 94) = ( 0.7250492 -0.4697882 -0.9724837), wk = 0.0034014 k( 95) = ( 0.7187978 -0.4540769 -0.9438959), wk = 0.0034014 k( 96) = ( 0.7125464 -0.4383655 -0.9153081), wk = 0.0034014 k( 97) = ( 0.7062951 -0.4226542 -0.8867203), wk = 0.0034014 k( 98) = ( 0.7000437 -0.4069429 -0.8581326), wk = 0.0034014 k( 99) = ( 0.6937923 -0.3912316 -0.8295448), wk = 0.0034014 k( 100) = ( 0.6875410 -0.3755203 -0.8009570), wk = 0.0034014 k( 101) = ( 0.6812896 -0.3598090 -0.7723693), wk = 0.0034014 k( 102) = ( 0.6750382 -0.3440977 -0.7437815), wk = 0.0034014 k( 103) = ( 0.6687869 -0.3283863 -0.7151937), wk = 0.0034014 k( 104) = ( 0.6625355 -0.3126750 -0.6866060), wk = 0.0034014 k( 105) = ( 0.6562841 -0.2969637 -0.6580182), wk = 0.0034014 k( 106) = ( 0.6500328 -0.2812524 -0.6294305), wk = 0.0034014 k( 107) = ( 0.6437814 -0.2655411 -0.6008427), wk = 0.0034014 k( 108) = ( 0.6375300 -0.2498298 -0.5722549), wk = 0.0034014 k( 109) = ( 0.6312787 -0.2341184 -0.5436672), wk = 0.0034014 k( 110) = ( 0.6250273 -0.2184071 -0.5150794), wk = 0.0034014 k( 111) = ( 0.6187759 -0.2026958 -0.4864916), wk = 0.0034014 k( 112) = ( 0.6125246 -0.1869845 -0.4579039), wk = 0.0034014 k( 113) = ( 0.6062732 -0.1712732 -0.4293161), wk = 0.0034014 k( 114) = ( 0.6000218 -0.1555619 -0.4007283), wk = 0.0034014 k( 115) = ( 0.5937705 -0.1398506 -0.3721406), wk = 0.0034014 k( 116) = ( 0.5875191 -0.1241392 -0.3435528), wk = 0.0034014 k( 117) = ( 0.5812677 -0.1084279 -0.3149650), wk = 0.0034014 k( 118) = ( 0.5750164 -0.0927166 -0.2863773), wk = 0.0034014 k( 119) = ( 0.5687650 -0.0770053 -0.2577895), wk = 0.0034014 k( 120) = ( 0.5625137 -0.0612940 -0.2292018), wk = 0.0034014 k( 121) = ( 0.5562623 -0.0455826 -0.2006140), wk = 0.0034014 k( 122) = ( 0.5500109 -0.0298713 -0.1720262), wk = 0.0034014 k( 123) = ( 0.5437596 -0.0141600 -0.1434385), wk = 0.0034014 k( 124) = ( 0.5375082 0.0015513 -0.1148507), wk = 0.0034014 k( 125) = ( 0.5312568 0.0172626 -0.0862629), wk = 0.0034014 k( 126) = ( 0.5250055 0.0329739 -0.0576751), wk = 0.0034014 k( 127) = ( 0.5187541 0.0486852 -0.0290874), wk = 0.0034014 k( 128) = ( 0.5125027 0.0643966 -0.0004996), wk = 0.0034014 k( 129) = ( 0.5062514 0.0801079 0.0280881), wk = 0.0034014 k( 130) = ( 0.5000000 0.0958192 0.0566759), wk = 0.0034014 k( 131) = ( 0.5000000 0.0958192 0.0566759), wk = 0.0034014 k( 132) = ( 0.4687500 0.0898305 0.0531337), wk = 0.0034014 k( 133) = ( 0.4375000 0.0838418 0.0495914), wk = 0.0034014 k( 134) = ( 0.4062500 0.0778531 0.0460492), wk = 0.0034014 k( 135) = ( 0.3750000 0.0718644 0.0425069), wk = 0.0034014 k( 136) = ( 0.3437500 0.0658757 0.0389647), wk = 0.0034014 k( 137) = ( 0.3125000 0.0598870 0.0354224), wk = 0.0034014 k( 138) = ( 0.2812500 0.0538983 0.0318802), wk = 0.0034014 k( 139) = ( 0.2500000 0.0479096 0.0283379), wk = 0.0034014 k( 140) = ( 0.2187500 0.0419209 0.0247957), wk = 0.0034014 k( 141) = ( 0.1875000 0.0359322 0.0212535), wk = 0.0034014 k( 142) = ( 0.1562500 0.0299435 0.0177112), wk = 0.0034014 k( 143) = ( 0.1250000 0.0239548 0.0141690), wk = 0.0034014 k( 144) = ( 0.0937500 0.0179661 0.0106267), wk = 0.0034014 k( 145) = ( 0.0625000 0.0119774 0.0070845), wk = 0.0034014 k( 146) = ( 0.0312500 0.0059887 0.0035422), wk = 0.0034014 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 149) = ( 0.0062493 -0.0157062 -0.0285785), wk = 0.0034014 k( 150) = ( 0.0124987 -0.0314124 -0.0571570), wk = 0.0034014 k( 151) = ( 0.0187480 -0.0471187 -0.0857355), wk = 0.0034014 k( 152) = ( 0.0249974 -0.0628249 -0.1143140), wk = 0.0034014 k( 153) = ( 0.0312467 -0.0785311 -0.1428926), wk = 0.0034014 k( 154) = ( 0.0374961 -0.0942374 -0.1714711), wk = 0.0034014 k( 155) = ( 0.0437454 -0.1099436 -0.2000496), wk = 0.0034014 k( 156) = ( 0.0499947 -0.1256498 -0.2286281), wk = 0.0034014 k( 157) = ( 0.0562441 -0.1413561 -0.2572066), wk = 0.0034014 k( 158) = ( 0.0624934 -0.1570623 -0.2857851), wk = 0.0034014 k( 159) = ( 0.0687428 -0.1727685 -0.3143636), wk = 0.0034014 k( 160) = ( 0.0749921 -0.1884748 -0.3429421), wk = 0.0034014 k( 161) = ( 0.0812415 -0.2041810 -0.3715207), wk = 0.0034014 k( 162) = ( 0.0874908 -0.2198872 -0.4000992), wk = 0.0034014 k( 163) = ( 0.0937401 -0.2355935 -0.4286777), wk = 0.0034014 k( 164) = ( 0.0999895 -0.2512997 -0.4572562), wk = 0.0034014 k( 165) = ( 0.1062388 -0.2670059 -0.4858347), wk = 0.0034014 k( 166) = ( 0.1124882 -0.2827121 -0.5144132), wk = 0.0034014 k( 167) = ( 0.1187375 -0.2984184 -0.5429917), wk = 0.0034014 k( 168) = ( 0.1249868 -0.3141246 -0.5715702), wk = 0.0034014 k( 169) = ( 0.1312362 -0.3298308 -0.6001488), wk = 0.0034014 k( 170) = ( 0.1374855 -0.3455371 -0.6287273), wk = 0.0034014 k( 171) = ( 0.1437349 -0.3612433 -0.6573058), wk = 0.0034014 k( 172) = ( 0.1499842 -0.3769495 -0.6858843), wk = 0.0034014 k( 173) = ( 0.1562336 -0.3926558 -0.7144628), wk = 0.0034014 k( 174) = ( 0.1624829 -0.4083620 -0.7430413), wk = 0.0034014 k( 175) = ( 0.1687323 -0.4240682 -0.7716198), wk = 0.0034014 k( 176) = ( 0.1749816 -0.4397745 -0.8001983), wk = 0.0034014 k( 177) = ( 0.1812309 -0.4554807 -0.8287769), wk = 0.0034014 k( 178) = ( 0.1874803 -0.4711869 -0.8573554), wk = 0.0034014 k( 179) = ( 0.1937296 -0.4868932 -0.8859339), wk = 0.0034014 k( 180) = ( 0.1999790 -0.5025994 -0.9145124), wk = 0.0034014 k( 181) = ( 0.2062283 -0.5183056 -0.9430909), wk = 0.0034014 k( 182) = ( 0.2124776 -0.5340118 -0.9716694), wk = 0.0034014 k( 183) = ( 0.2187270 -0.5497181 -1.0002479), wk = 0.0034014 k( 184) = ( 0.2249763 -0.5654243 -1.0288264), wk = 0.0034014 k( 185) = ( 0.2312257 -0.5811305 -1.0574050), wk = 0.0034014 k( 186) = ( 0.2374750 -0.5968368 -1.0859835), wk = 0.0034014 k( 187) = ( 0.2437244 -0.6125430 -1.1145620), wk = 0.0034014 k( 188) = ( 0.2499737 -0.6282492 -1.1431405), wk = 0.0034014 k( 189) = ( 0.2562230 -0.6439555 -1.1717190), wk = 0.0034014 k( 190) = ( 0.2624724 -0.6596617 -1.2002975), wk = 0.0034014 k( 191) = ( 0.2687217 -0.6753679 -1.2288760), wk = 0.0034014 k( 192) = ( 0.2749711 -0.6910742 -1.2574545), wk = 0.0034014 k( 193) = ( 0.2812204 -0.7067804 -1.2860331), wk = 0.0034014 k( 194) = ( 0.2874698 -0.7224866 -1.3146116), wk = 0.0034014 k( 195) = ( 0.2937191 -0.7381928 -1.3431901), wk = 0.0034014 k( 196) = ( 0.2999684 -0.7538991 -1.3717686), wk = 0.0034014 k( 197) = ( 0.3062178 -0.7696053 -1.4003471), wk = 0.0034014 k( 198) = ( 0.3124671 -0.7853115 -1.4289256), wk = 0.0034014 k( 199) = ( 0.3187165 -0.8010178 -1.4575041), wk = 0.0034014 k( 200) = ( 0.3249658 -0.8167240 -1.4860826), wk = 0.0034014 k( 201) = ( 0.3312152 -0.8324302 -1.5146612), wk = 0.0034014 k( 202) = ( 0.3374645 -0.8481365 -1.5432397), wk = 0.0034014 k( 203) = ( 0.6625355 -0.7523173 -1.4865638), wk = 0.0034014 k( 204) = ( 0.6562841 -0.7196966 -1.4865638), wk = 0.0034014 k( 205) = ( 0.6500328 -0.6870760 -1.4865638), wk = 0.0034014 k( 206) = ( 0.6437814 -0.6544554 -1.4865638), wk = 0.0034014 k( 207) = ( 0.6375300 -0.6218348 -1.4865638), wk = 0.0034014 k( 208) = ( 0.6312787 -0.5892141 -1.4865638), wk = 0.0034014 k( 209) = ( 0.6250273 -0.5565935 -1.4865638), wk = 0.0034014 k( 210) = ( 0.6187759 -0.5239729 -1.4865638), wk = 0.0034014 k( 211) = ( 0.6125246 -0.4913522 -1.4865638), wk = 0.0034014 k( 212) = ( 0.6062732 -0.4587316 -1.4865638), wk = 0.0034014 k( 213) = ( 0.6000218 -0.4261109 -1.4865638), wk = 0.0034014 k( 214) = ( 0.5937705 -0.3934903 -1.4865638), wk = 0.0034014 k( 215) = ( 0.5875191 -0.3608697 -1.4865638), wk = 0.0034014 k( 216) = ( 0.5812677 -0.3282490 -1.4865638), wk = 0.0034014 k( 217) = ( 0.5750164 -0.2956284 -1.4865638), wk = 0.0034014 k( 218) = ( 0.5687650 -0.2630078 -1.4865638), wk = 0.0034014 k( 219) = ( 0.5625137 -0.2303872 -1.4865638), wk = 0.0034014 k( 220) = ( 0.5562623 -0.1977665 -1.4865638), wk = 0.0034014 k( 221) = ( 0.5500109 -0.1651459 -1.4865638), wk = 0.0034014 k( 222) = ( 0.5437596 -0.1325252 -1.4865638), wk = 0.0034014 k( 223) = ( 0.5375082 -0.0999046 -1.4865638), wk = 0.0034014 k( 224) = ( 0.5312568 -0.0672840 -1.4865638), wk = 0.0034014 k( 225) = ( 0.5250055 -0.0346633 -1.4865638), wk = 0.0034014 k( 226) = ( 0.5187541 -0.0020427 -1.4865638), wk = 0.0034014 k( 227) = ( 0.5125027 0.0305779 -1.4865638), wk = 0.0034014 k( 228) = ( 0.5062514 0.0631985 -1.4865638), wk = 0.0034014 k( 229) = ( 0.5000000 0.0958192 -1.4865638), wk = 0.0034014 k( 230) = ( 0.5000000 0.0958192 -1.4865638), wk = 0.0034014 k( 231) = ( 0.5270892 0.1010105 -1.4771178), wk = 0.0034014 k( 232) = ( 0.5541785 0.1062019 -1.4676718), wk = 0.0034014 k( 233) = ( 0.5812677 0.1113932 -1.4582258), wk = 0.0034014 k( 234) = ( 0.6083570 0.1165846 -1.4487799), wk = 0.0034014 k( 235) = ( 0.6354463 0.1217759 -1.4393339), wk = 0.0034014 k( 236) = ( 0.6625355 0.1269672 -1.4298879), wk = 0.0034014 k( 237) = ( 0.6625355 0.1269672 -1.4298879), wk = 0.0034014 k( 238) = ( 0.6589236 0.1262751 -1.3968531), wk = 0.0034014 k( 239) = ( 0.6553117 0.1255829 -1.3638184), wk = 0.0034014 k( 240) = ( 0.6516998 0.1248907 -1.3307836), wk = 0.0034014 k( 241) = ( 0.6480879 0.1241985 -1.2977489), wk = 0.0034014 k( 242) = ( 0.6444760 0.1235063 -1.2647141), wk = 0.0034014 k( 243) = ( 0.6408641 0.1228142 -1.2316794), wk = 0.0034014 k( 244) = ( 0.6372522 0.1221220 -1.1986446), wk = 0.0034014 k( 245) = ( 0.6336403 0.1214298 -1.1656099), wk = 0.0034014 k( 246) = ( 0.6300284 0.1207376 -1.1325751), wk = 0.0034014 k( 247) = ( 0.6264165 0.1200455 -1.0995404), wk = 0.0034014 k( 248) = ( 0.6228046 0.1193533 -1.0665056), wk = 0.0034014 k( 249) = ( 0.6191927 0.1186611 -1.0334709), wk = 0.0034014 k( 250) = ( 0.6155808 0.1179689 -1.0004361), wk = 0.0034014 k( 251) = ( 0.6119689 0.1172767 -0.9674014), wk = 0.0034014 k( 252) = ( 0.6083570 0.1165846 -0.9343666), wk = 0.0034014 k( 253) = ( 0.6047451 0.1158924 -0.9013319), wk = 0.0034014 k( 254) = ( 0.6011332 0.1152002 -0.8682971), wk = 0.0034014 k( 255) = ( 0.5975213 0.1145080 -0.8352623), wk = 0.0034014 k( 256) = ( 0.5939094 0.1138158 -0.8022276), wk = 0.0034014 k( 257) = ( 0.5902975 0.1131237 -0.7691928), wk = 0.0034014 k( 258) = ( 0.5866856 0.1124315 -0.7361581), wk = 0.0034014 k( 259) = ( 0.5830737 0.1117393 -0.7031234), wk = 0.0034014 k( 260) = ( 0.5794618 0.1110471 -0.6700886), wk = 0.0034014 k( 261) = ( 0.5758499 0.1103549 -0.6370539), wk = 0.0034014 k( 262) = ( 0.5722380 0.1096628 -0.6040191), wk = 0.0034014 k( 263) = ( 0.5686261 0.1089706 -0.5709844), wk = 0.0034014 k( 264) = ( 0.5650142 0.1082784 -0.5379496), wk = 0.0034014 k( 265) = ( 0.5614023 0.1075862 -0.5049149), wk = 0.0034014 k( 266) = ( 0.5577904 0.1068941 -0.4718801), wk = 0.0034014 k( 267) = ( 0.5541785 0.1062019 -0.4388454), wk = 0.0034014 k( 268) = ( 0.5505666 0.1055097 -0.4058106), wk = 0.0034014 k( 269) = ( 0.5469547 0.1048175 -0.3727758), wk = 0.0034014 k( 270) = ( 0.5433428 0.1041253 -0.3397411), wk = 0.0034014 k( 271) = ( 0.5397309 0.1034332 -0.3067063), wk = 0.0034014 k( 272) = ( 0.5361190 0.1027410 -0.2736716), wk = 0.0034014 k( 273) = ( 0.5325071 0.1020488 -0.2406368), wk = 0.0034014 k( 274) = ( 0.5288952 0.1013566 -0.2076021), wk = 0.0034014 k( 275) = ( 0.5252833 0.1006644 -0.1745673), wk = 0.0034014 k( 276) = ( 0.5216714 0.0999723 -0.1415326), wk = 0.0034014 k( 277) = ( 0.5180595 0.0992801 -0.1084978), wk = 0.0034014 k( 278) = ( 0.5144476 0.0985879 -0.0754631), wk = 0.0034014 k( 279) = ( 0.5108357 0.0978957 -0.0424283), wk = 0.0034014 k( 280) = ( 0.5072238 0.0972036 -0.0093936), wk = 0.0034014 k( 281) = ( 0.5036119 0.0965114 0.0236411), wk = 0.0034014 k( 282) = ( 0.5000000 0.0958192 0.0566759), wk = 0.0034014 k( 283) = ( 0.5000000 -1.2566307 -0.7432819), wk = 0.0034014 k( 284) = ( 0.5295519 -1.2479199 -0.7381295), wk = 0.0034014 k( 285) = ( 0.5591038 -1.2392090 -0.7329772), wk = 0.0034014 k( 286) = ( 0.5886557 -1.2304982 -0.7278248), wk = 0.0034014 k( 287) = ( 0.6182076 -1.2217873 -0.7226725), wk = 0.0034014 k( 288) = ( 0.6477595 -1.2130765 -0.7175201), wk = 0.0034014 k( 289) = ( 0.6773115 -1.2043657 -0.7123678), wk = 0.0034014 k( 290) = ( 0.7068634 -1.1956548 -0.7072154), wk = 0.0034014 k( 291) = ( 0.7364153 -1.1869440 -0.7020630), wk = 0.0034014 k( 292) = ( 0.7659672 -1.1782332 -0.6969107), wk = 0.0034014 k( 293) = ( 0.7955191 -1.1695223 -0.6917583), wk = 0.0034014 k( 294) = ( 0.8250710 -1.1608115 -0.6866060), wk = 0.0034014 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0106383 0.0000000 -0.0000000), wk = 0.0034014 k( 3) = ( 0.0212766 0.0000000 -0.0000000), wk = 0.0034014 k( 4) = ( 0.0319149 0.0000000 -0.0000000), wk = 0.0034014 k( 5) = ( 0.0425532 0.0000000 -0.0000000), wk = 0.0034014 k( 6) = ( 0.0531915 0.0000000 0.0000000), wk = 0.0034014 k( 7) = ( 0.0638298 0.0000000 0.0000000), wk = 0.0034014 k( 8) = ( 0.0744681 0.0000000 -0.0000000), wk = 0.0034014 k( 9) = ( 0.0851064 0.0000000 -0.0000000), wk = 0.0034014 k( 10) = ( 0.0957447 0.0000000 0.0000000), wk = 0.0034014 k( 11) = ( 0.1063830 0.0000000 0.0000000), wk = 0.0034014 k( 12) = ( 0.1170213 0.0000000 -0.0000000), wk = 0.0034014 k( 13) = ( 0.1276596 0.0000000 -0.0000000), wk = 0.0034014 k( 14) = ( 0.1382979 0.0000000 -0.0000000), wk = 0.0034014 k( 15) = ( 0.1489362 0.0000000 -0.0000000), wk = 0.0034014 k( 16) = ( 0.1595745 0.0000000 0.0000000), wk = 0.0034014 k( 17) = ( 0.1702128 0.0000000 -0.0000000), wk = 0.0034014 k( 18) = ( 0.1808511 0.0000000 -0.0000000), wk = 0.0034014 k( 19) = ( 0.1914894 0.0000000 0.0000000), wk = 0.0034014 k( 20) = ( 0.2021277 -0.0000000 0.0000000), wk = 0.0034014 k( 21) = ( 0.2127660 0.0000000 0.0000000), wk = 0.0034014 k( 22) = ( 0.2234043 0.0000000 -0.0000000), wk = 0.0034014 k( 23) = ( 0.2340425 0.0000000 -0.0000000), wk = 0.0034014 k( 24) = ( 0.2446809 0.0000000 -0.0000000), wk = 0.0034014 k( 25) = ( 0.2553191 0.0000000 -0.0000000), wk = 0.0034014 k( 26) = ( 0.2659574 -0.0000000 0.0000000), wk = 0.0034014 k( 27) = ( 0.2765957 0.0000000 -0.0000000), wk = 0.0034014 k( 28) = ( 0.2872340 0.0000000 0.0000000), wk = 0.0034014 k( 29) = ( 0.2978723 0.0000000 -0.0000000), wk = 0.0034014 k( 30) = ( 0.3085106 0.0000000 -0.0000000), wk = 0.0034014 k( 31) = ( 0.3191489 0.0000000 0.0000000), wk = 0.0034014 k( 32) = ( 0.3297872 -0.0000000 -0.0000000), wk = 0.0034014 k( 33) = ( 0.3404255 0.0000000 -0.0000000), wk = 0.0034014 k( 34) = ( 0.3510638 0.0000000 -0.0000000), wk = 0.0034014 k( 35) = ( 0.3617021 0.0000000 0.0000000), wk = 0.0034014 k( 36) = ( 0.3723404 0.0000000 0.0000000), wk = 0.0034014 k( 37) = ( 0.3829787 0.0000000 0.0000000), wk = 0.0034014 k( 38) = ( 0.3936170 0.0000000 0.0000000), wk = 0.0034014 k( 39) = ( 0.4042553 -0.0000000 0.0000000), wk = 0.0034014 k( 40) = ( 0.4148936 0.0000000 0.0000000), wk = 0.0034014 k( 41) = ( 0.4255319 0.0000000 -0.0000000), wk = 0.0034014 k( 42) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0034014 k( 43) = ( 0.4468085 0.0000000 -0.0000000), wk = 0.0034014 k( 44) = ( 0.4574468 0.0000000 -0.0000000), wk = 0.0034014 k( 45) = ( 0.4680851 0.0000000 -0.0000000), wk = 0.0034014 k( 46) = ( 0.4787234 0.0000000 -0.0000000), wk = 0.0034014 k( 47) = ( 0.4893617 0.0000000 -0.0000000), wk = 0.0034014 k( 48) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034014 k( 49) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034014 k( 50) = ( 0.5000000 0.0062475 -0.0062475), wk = 0.0034014 k( 51) = ( 0.5000000 0.0124949 -0.0124949), wk = 0.0034014 k( 52) = ( 0.5000000 0.0187424 -0.0187424), wk = 0.0034014 k( 53) = ( 0.5000000 0.0249899 -0.0249898), wk = 0.0034014 k( 54) = ( 0.5000000 0.0312373 -0.0312373), wk = 0.0034014 k( 55) = ( 0.5000000 0.0374848 -0.0374848), wk = 0.0034014 k( 56) = ( 0.5000000 0.0437323 -0.0437322), wk = 0.0034014 k( 57) = ( 0.5000000 0.0499797 -0.0499797), wk = 0.0034014 k( 58) = ( 0.5000000 0.0562272 -0.0562272), wk = 0.0034014 k( 59) = ( 0.5000000 0.0624746 -0.0624746), wk = 0.0034014 k( 60) = ( 0.5000000 0.0687221 -0.0687221), wk = 0.0034014 k( 61) = ( 0.5000000 0.0749696 -0.0749696), wk = 0.0034014 k( 62) = ( 0.5000000 0.0812170 -0.0812170), wk = 0.0034014 k( 63) = ( 0.5000000 0.0874645 -0.0874645), wk = 0.0034014 k( 64) = ( 0.5000000 0.0937120 -0.0937120), wk = 0.0034014 k( 65) = ( 0.5000000 0.0999594 -0.0999594), wk = 0.0034014 k( 66) = ( 0.5000000 0.1062069 -0.1062069), wk = 0.0034014 k( 67) = ( 0.5000000 0.1124544 -0.1124543), wk = 0.0034014 k( 68) = ( 0.5000000 0.1187018 -0.1187018), wk = 0.0034014 k( 69) = ( 0.5000000 0.1249493 -0.1249493), wk = 0.0034014 k( 70) = ( 0.5000000 0.1311967 -0.1311967), wk = 0.0034014 k( 71) = ( 0.5000000 0.1374442 -0.1374442), wk = 0.0034014 k( 72) = ( 0.5000000 0.1436917 -0.1436917), wk = 0.0034014 k( 73) = ( 0.5000000 0.1499391 -0.1499391), wk = 0.0034014 k( 74) = ( 0.5000000 0.1561866 -0.1561866), wk = 0.0034014 k( 75) = ( 0.5000000 0.1624341 -0.1624341), wk = 0.0034014 k( 76) = ( 0.5000000 0.1686815 -0.1686815), wk = 0.0034014 k( 77) = ( 0.5000000 0.1749290 -0.1749290), wk = 0.0034014 k( 78) = ( 0.8250710 0.5000000 0.1749290), wk = 0.0034014 k( 79) = ( 0.8188197 0.5000000 0.1811804), wk = 0.0034014 k( 80) = ( 0.8125683 0.5000000 0.1874317), wk = 0.0034014 k( 81) = ( 0.8063169 0.5000000 0.1936831), wk = 0.0034014 k( 82) = ( 0.8000656 0.5000000 0.1999345), wk = 0.0034014 k( 83) = ( 0.7938142 0.5000000 0.2061858), wk = 0.0034014 k( 84) = ( 0.7875628 0.5000000 0.2124372), wk = 0.0034014 k( 85) = ( 0.7813115 0.5000000 0.2186885), wk = 0.0034014 k( 86) = ( 0.7750601 0.5000000 0.2249399), wk = 0.0034014 k( 87) = ( 0.7688087 0.5000000 0.2311913), wk = 0.0034014 k( 88) = ( 0.7625574 0.5000000 0.2374426), wk = 0.0034014 k( 89) = ( 0.7563060 0.5000000 0.2436940), wk = 0.0034014 k( 90) = ( 0.7500546 0.5000000 0.2499454), wk = 0.0034014 k( 91) = ( 0.7438033 0.5000000 0.2561967), wk = 0.0034014 k( 92) = ( 0.7375519 0.5000000 0.2624481), wk = 0.0034014 k( 93) = ( 0.7313005 0.5000000 0.2686995), wk = 0.0034014 k( 94) = ( 0.7250492 0.5000000 0.2749508), wk = 0.0034014 k( 95) = ( 0.7187978 0.5000000 0.2812022), wk = 0.0034014 k( 96) = ( 0.7125464 0.5000000 0.2874536), wk = 0.0034014 k( 97) = ( 0.7062951 0.5000000 0.2937049), wk = 0.0034014 k( 98) = ( 0.7000437 0.5000000 0.2999563), wk = 0.0034014 k( 99) = ( 0.6937923 0.5000000 0.3062077), wk = 0.0034014 k( 100) = ( 0.6875410 0.5000000 0.3124590), wk = 0.0034014 k( 101) = ( 0.6812896 0.5000000 0.3187104), wk = 0.0034014 k( 102) = ( 0.6750382 0.5000000 0.3249618), wk = 0.0034014 k( 103) = ( 0.6687869 0.5000000 0.3312131), wk = 0.0034014 k( 104) = ( 0.6625355 0.5000000 0.3374645), wk = 0.0034014 k( 105) = ( 0.6562841 0.5000000 0.3437159), wk = 0.0034014 k( 106) = ( 0.6500328 0.5000000 0.3499672), wk = 0.0034014 k( 107) = ( 0.6437814 0.5000000 0.3562186), wk = 0.0034014 k( 108) = ( 0.6375300 0.5000000 0.3624699), wk = 0.0034014 k( 109) = ( 0.6312787 0.5000000 0.3687213), wk = 0.0034014 k( 110) = ( 0.6250273 0.5000000 0.3749727), wk = 0.0034014 k( 111) = ( 0.6187759 0.5000000 0.3812241), wk = 0.0034014 k( 112) = ( 0.6125246 0.5000000 0.3874754), wk = 0.0034014 k( 113) = ( 0.6062732 0.5000000 0.3937268), wk = 0.0034014 k( 114) = ( 0.6000218 0.5000000 0.3999781), wk = 0.0034014 k( 115) = ( 0.5937705 0.5000000 0.4062295), wk = 0.0034014 k( 116) = ( 0.5875191 0.5000000 0.4124809), wk = 0.0034014 k( 117) = ( 0.5812677 0.5000000 0.4187323), wk = 0.0034014 k( 118) = ( 0.5750164 0.5000000 0.4249836), wk = 0.0034014 k( 119) = ( 0.5687650 0.5000000 0.4312350), wk = 0.0034014 k( 120) = ( 0.5625137 0.5000000 0.4374863), wk = 0.0034014 k( 121) = ( 0.5562623 0.5000000 0.4437377), wk = 0.0034014 k( 122) = ( 0.5500109 0.5000000 0.4499891), wk = 0.0034014 k( 123) = ( 0.5437596 0.5000000 0.4562404), wk = 0.0034014 k( 124) = ( 0.5375082 0.5000000 0.4624918), wk = 0.0034014 k( 125) = ( 0.5312568 0.5000000 0.4687432), wk = 0.0034014 k( 126) = ( 0.5250055 0.5000000 0.4749945), wk = 0.0034014 k( 127) = ( 0.5187541 0.5000000 0.4812459), wk = 0.0034014 k( 128) = ( 0.5125027 0.5000000 0.4874973), wk = 0.0034014 k( 129) = ( 0.5062514 0.5000000 0.4937486), wk = 0.0034014 k( 130) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 131) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 132) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0034014 k( 133) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0034014 k( 134) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0034014 k( 135) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0034014 k( 136) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0034014 k( 137) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0034014 k( 138) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0034014 k( 139) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034014 k( 140) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0034014 k( 141) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0034014 k( 142) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0034014 k( 143) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0034014 k( 144) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0034014 k( 145) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0034014 k( 146) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0034014 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 149) = ( 0.0062493 0.0000000 -0.0062493), wk = 0.0034014 k( 150) = ( 0.0124987 0.0000000 -0.0124987), wk = 0.0034014 k( 151) = ( 0.0187480 0.0000000 -0.0187480), wk = 0.0034014 k( 152) = ( 0.0249974 0.0000000 -0.0249974), wk = 0.0034014 k( 153) = ( 0.0312467 0.0000000 -0.0312467), wk = 0.0034014 k( 154) = ( 0.0374961 0.0000000 -0.0374961), wk = 0.0034014 k( 155) = ( 0.0437454 0.0000000 -0.0437454), wk = 0.0034014 k( 156) = ( 0.0499947 0.0000000 -0.0499947), wk = 0.0034014 k( 157) = ( 0.0562441 0.0000000 -0.0562441), wk = 0.0034014 k( 158) = ( 0.0624934 0.0000000 -0.0624934), wk = 0.0034014 k( 159) = ( 0.0687428 0.0000000 -0.0687428), wk = 0.0034014 k( 160) = ( 0.0749921 0.0000000 -0.0749921), wk = 0.0034014 k( 161) = ( 0.0812415 0.0000000 -0.0812414), wk = 0.0034014 k( 162) = ( 0.0874908 -0.0000000 -0.0874908), wk = 0.0034014 k( 163) = ( 0.0937401 -0.0000000 -0.0937401), wk = 0.0034014 k( 164) = ( 0.0999895 0.0000000 -0.0999895), wk = 0.0034014 k( 165) = ( 0.1062388 0.0000000 -0.1062388), wk = 0.0034014 k( 166) = ( 0.1124882 0.0000000 -0.1124882), wk = 0.0034014 k( 167) = ( 0.1187375 -0.0000000 -0.1187375), wk = 0.0034014 k( 168) = ( 0.1249868 -0.0000000 -0.1249869), wk = 0.0034014 k( 169) = ( 0.1312362 -0.0000000 -0.1312362), wk = 0.0034014 k( 170) = ( 0.1374855 -0.0000000 -0.1374855), wk = 0.0034014 k( 171) = ( 0.1437349 0.0000000 -0.1437349), wk = 0.0034014 k( 172) = ( 0.1499842 0.0000000 -0.1499842), wk = 0.0034014 k( 173) = ( 0.1562336 0.0000000 -0.1562336), wk = 0.0034014 k( 174) = ( 0.1624829 0.0000000 -0.1624829), wk = 0.0034014 k( 175) = ( 0.1687323 0.0000000 -0.1687323), wk = 0.0034014 k( 176) = ( 0.1749816 0.0000000 -0.1749816), wk = 0.0034014 k( 177) = ( 0.1812309 0.0000000 -0.1812309), wk = 0.0034014 k( 178) = ( 0.1874803 0.0000000 -0.1874803), wk = 0.0034014 k( 179) = ( 0.1937296 0.0000000 -0.1937296), wk = 0.0034014 k( 180) = ( 0.1999790 0.0000000 -0.1999790), wk = 0.0034014 k( 181) = ( 0.2062283 -0.0000000 -0.2062283), wk = 0.0034014 k( 182) = ( 0.2124776 0.0000000 -0.2124776), wk = 0.0034014 k( 183) = ( 0.2187270 0.0000000 -0.2187270), wk = 0.0034014 k( 184) = ( 0.2249763 0.0000000 -0.2249763), wk = 0.0034014 k( 185) = ( 0.2312257 0.0000000 -0.2312257), wk = 0.0034014 k( 186) = ( 0.2374750 -0.0000000 -0.2374750), wk = 0.0034014 k( 187) = ( 0.2437244 0.0000000 -0.2437244), wk = 0.0034014 k( 188) = ( 0.2499737 -0.0000000 -0.2499737), wk = 0.0034014 k( 189) = ( 0.2562230 0.0000000 -0.2562230), wk = 0.0034014 k( 190) = ( 0.2624724 -0.0000000 -0.2624724), wk = 0.0034014 k( 191) = ( 0.2687217 0.0000000 -0.2687217), wk = 0.0034014 k( 192) = ( 0.2749711 0.0000000 -0.2749711), wk = 0.0034014 k( 193) = ( 0.2812204 0.0000000 -0.2812204), wk = 0.0034014 k( 194) = ( 0.2874698 -0.0000000 -0.2874697), wk = 0.0034014 k( 195) = ( 0.2937191 0.0000000 -0.2937191), wk = 0.0034014 k( 196) = ( 0.2999684 0.0000000 -0.2999684), wk = 0.0034014 k( 197) = ( 0.3062178 0.0000000 -0.3062178), wk = 0.0034014 k( 198) = ( 0.3124671 0.0000000 -0.3124671), wk = 0.0034014 k( 199) = ( 0.3187165 0.0000000 -0.3187165), wk = 0.0034014 k( 200) = ( 0.3249658 0.0000000 -0.3249658), wk = 0.0034014 k( 201) = ( 0.3312152 -0.0000000 -0.3312152), wk = 0.0034014 k( 202) = ( 0.3374645 0.0000000 -0.3374645), wk = 0.0034014 k( 203) = ( 0.6625355 0.3374645 0.0000000), wk = 0.0034014 k( 204) = ( 0.6562841 0.3437159 0.0000000), wk = 0.0034014 k( 205) = ( 0.6500328 0.3499672 0.0000000), wk = 0.0034014 k( 206) = ( 0.6437814 0.3562186 0.0000000), wk = 0.0034014 k( 207) = ( 0.6375300 0.3624700 0.0000000), wk = 0.0034014 k( 208) = ( 0.6312787 0.3687213 0.0000000), wk = 0.0034014 k( 209) = ( 0.6250273 0.3749727 0.0000000), wk = 0.0034014 k( 210) = ( 0.6187759 0.3812241 -0.0000000), wk = 0.0034014 k( 211) = ( 0.6125246 0.3874754 -0.0000000), wk = 0.0034014 k( 212) = ( 0.6062732 0.3937268 0.0000000), wk = 0.0034014 k( 213) = ( 0.6000218 0.3999782 0.0000000), wk = 0.0034014 k( 214) = ( 0.5937705 0.4062295 0.0000000), wk = 0.0034014 k( 215) = ( 0.5875191 0.4124809 0.0000000), wk = 0.0034014 k( 216) = ( 0.5812677 0.4187323 0.0000000), wk = 0.0034014 k( 217) = ( 0.5750164 0.4249836 0.0000000), wk = 0.0034014 k( 218) = ( 0.5687650 0.4312350 0.0000000), wk = 0.0034014 k( 219) = ( 0.5625137 0.4374863 0.0000000), wk = 0.0034014 k( 220) = ( 0.5562623 0.4437377 0.0000000), wk = 0.0034014 k( 221) = ( 0.5500109 0.4499891 0.0000000), wk = 0.0034014 k( 222) = ( 0.5437596 0.4562404 -0.0000000), wk = 0.0034014 k( 223) = ( 0.5375082 0.4624918 0.0000000), wk = 0.0034014 k( 224) = ( 0.5312568 0.4687432 0.0000000), wk = 0.0034014 k( 225) = ( 0.5250055 0.4749945 -0.0000000), wk = 0.0034014 k( 226) = ( 0.5187541 0.4812459 0.0000000), wk = 0.0034014 k( 227) = ( 0.5125027 0.4874973 0.0000000), wk = 0.0034014 k( 228) = ( 0.5062514 0.4937486 -0.0000000), wk = 0.0034014 k( 229) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034014 k( 230) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034014 k( 231) = ( 0.5270892 0.5270892 0.0291548), wk = 0.0034014 k( 232) = ( 0.5541785 0.5541785 0.0583097), wk = 0.0034014 k( 233) = ( 0.5812677 0.5812678 0.0874645), wk = 0.0034014 k( 234) = ( 0.6083570 0.6083570 0.1166193), wk = 0.0034014 k( 235) = ( 0.6354463 0.6354463 0.1457742), wk = 0.0034014 k( 236) = ( 0.6625355 0.6625355 0.1749290), wk = 0.0034014 k( 237) = ( 0.6625355 0.6625355 0.1749290), wk = 0.0034014 k( 238) = ( 0.6589236 0.6589236 0.1821528), wk = 0.0034014 k( 239) = ( 0.6553117 0.6553117 0.1893766), wk = 0.0034014 k( 240) = ( 0.6516998 0.6516998 0.1966004), wk = 0.0034014 k( 241) = ( 0.6480879 0.6480879 0.2038242), wk = 0.0034014 k( 242) = ( 0.6444760 0.6444760 0.2110480), wk = 0.0034014 k( 243) = ( 0.6408641 0.6408641 0.2182718), wk = 0.0034014 k( 244) = ( 0.6372522 0.6372522 0.2254956), wk = 0.0034014 k( 245) = ( 0.6336403 0.6336403 0.2327194), wk = 0.0034014 k( 246) = ( 0.6300284 0.6300284 0.2399432), wk = 0.0034014 k( 247) = ( 0.6264165 0.6264165 0.2471670), wk = 0.0034014 k( 248) = ( 0.6228046 0.6228046 0.2543908), wk = 0.0034014 k( 249) = ( 0.6191927 0.6191927 0.2616146), wk = 0.0034014 k( 250) = ( 0.6155808 0.6155808 0.2688384), wk = 0.0034014 k( 251) = ( 0.6119689 0.6119689 0.2760622), wk = 0.0034014 k( 252) = ( 0.6083570 0.6083570 0.2832860), wk = 0.0034014 k( 253) = ( 0.6047451 0.6047451 0.2905098), wk = 0.0034014 k( 254) = ( 0.6011332 0.6011332 0.2977336), wk = 0.0034014 k( 255) = ( 0.5975213 0.5975213 0.3049574), wk = 0.0034014 k( 256) = ( 0.5939094 0.5939094 0.3121812), wk = 0.0034014 k( 257) = ( 0.5902975 0.5902975 0.3194050), wk = 0.0034014 k( 258) = ( 0.5866856 0.5866856 0.3266288), wk = 0.0034014 k( 259) = ( 0.5830737 0.5830737 0.3338526), wk = 0.0034014 k( 260) = ( 0.5794618 0.5794618 0.3410764), wk = 0.0034014 k( 261) = ( 0.5758499 0.5758499 0.3483002), wk = 0.0034014 k( 262) = ( 0.5722380 0.5722380 0.3555240), wk = 0.0034014 k( 263) = ( 0.5686261 0.5686261 0.3627478), wk = 0.0034014 k( 264) = ( 0.5650142 0.5650142 0.3699716), wk = 0.0034014 k( 265) = ( 0.5614023 0.5614023 0.3771954), wk = 0.0034014 k( 266) = ( 0.5577904 0.5577904 0.3844192), wk = 0.0034014 k( 267) = ( 0.5541785 0.5541785 0.3916430), wk = 0.0034014 k( 268) = ( 0.5505666 0.5505666 0.3988668), wk = 0.0034014 k( 269) = ( 0.5469547 0.5469547 0.4060906), wk = 0.0034014 k( 270) = ( 0.5433428 0.5433428 0.4133144), wk = 0.0034014 k( 271) = ( 0.5397309 0.5397309 0.4205382), wk = 0.0034014 k( 272) = ( 0.5361190 0.5361190 0.4277620), wk = 0.0034014 k( 273) = ( 0.5325071 0.5325071 0.4349858), wk = 0.0034014 k( 274) = ( 0.5288952 0.5288952 0.4422096), wk = 0.0034014 k( 275) = ( 0.5252833 0.5252833 0.4494334), wk = 0.0034014 k( 276) = ( 0.5216714 0.5216714 0.4566572), wk = 0.0034014 k( 277) = ( 0.5180595 0.5180595 0.4638810), wk = 0.0034014 k( 278) = ( 0.5144476 0.5144476 0.4711048), wk = 0.0034014 k( 279) = ( 0.5108357 0.5108357 0.4783286), wk = 0.0034014 k( 280) = ( 0.5072238 0.5072238 0.4855524), wk = 0.0034014 k( 281) = ( 0.5036119 0.5036119 0.4927762), wk = 0.0034014 k( 282) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 283) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034014 k( 284) = ( 0.5295519 0.0306786 0.0306786), wk = 0.0034014 k( 285) = ( 0.5591038 0.0613572 0.0613572), wk = 0.0034014 k( 286) = ( 0.5886557 0.0920358 0.0920358), wk = 0.0034014 k( 287) = ( 0.6182076 0.1227144 0.1227144), wk = 0.0034014 k( 288) = ( 0.6477595 0.1533930 0.1533930), wk = 0.0034014 k( 289) = ( 0.6773115 0.1840715 0.1840715), wk = 0.0034014 k( 290) = ( 0.7068634 0.2147501 0.2147501), wk = 0.0034014 k( 291) = ( 0.7364153 0.2454287 0.2454287), wk = 0.0034014 k( 292) = ( 0.7659672 0.2761073 0.2761073), wk = 0.0034014 k( 293) = ( 0.7955191 0.3067859 0.3067859), wk = 0.0034014 k( 294) = ( 0.8250710 0.3374645 0.3374645), wk = 0.0034014 Dense grid: 71429 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 39293 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 292, 44) NL pseudopotentials 0.28 Mb ( 146, 124) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.02 Mb ( 1984) G-vector shells 0.01 Mb ( 1649) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.78 Mb ( 292, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.17 Mb ( 124, 2, 44) The potential is recalculated from file : ./CaGe2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.2 secs Computing kpt #: 2 total cpu time spent up to now is 7.2 secs Computing kpt #: 3 total cpu time spent up to now is 9.1 secs Computing kpt #: 4 total cpu time spent up to now is 11.1 secs Computing kpt #: 5 total cpu time spent up to now is 13.1 secs Computing kpt #: 6 total cpu time spent up to now is 15.3 secs Computing kpt #: 7 total cpu time spent up to now is 17.4 secs Computing kpt #: 8 total cpu time spent up to now is 19.8 secs Computing kpt #: 9 total cpu time spent up to now is 22.2 secs Computing kpt #: 10 total cpu time spent up to now is 24.6 secs Computing kpt #: 11 total cpu time spent up to now is 26.7 secs Computing kpt #: 12 total cpu time spent up to now is 29.1 secs Computing kpt #: 13 total cpu time spent up to now is 31.2 secs Computing kpt #: 14 total cpu time spent up to now is 33.3 secs Computing kpt #: 15 total cpu time spent up to now is 35.5 secs Computing kpt #: 16 total cpu time spent up to now is 37.6 secs Computing kpt #: 17 total cpu time spent up to now is 40.0 secs Computing kpt #: 18 total cpu time spent up to now is 42.3 secs Computing kpt #: 19 total cpu time spent up to now is 44.6 secs Computing kpt #: 20 total cpu time spent up to now is 46.8 secs Computing kpt #: 21 total cpu time spent up to now is 48.9 secs Computing kpt #: 22 total cpu time spent up to now is 51.0 secs Computing kpt #: 23 total cpu time spent up to now is 53.4 secs Computing kpt #: 24 total cpu time spent up to now is 55.7 secs Computing kpt #: 25 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 59.3 secs Computing kpt #: 26 total cpu time spent up to now is 62.5 secs Computing kpt #: 27 total cpu time spent up to now is 65.1 secs Computing kpt #: 28 total cpu time spent up to now is 67.8 secs Computing kpt #: 29 total cpu time spent up to now is 70.0 secs Computing kpt #: 30 total cpu time spent up to now is 71.9 secs Computing kpt #: 31 total cpu time spent up to now is 73.8 secs Computing kpt #: 32 total cpu time spent up to now is 75.6 secs Computing kpt #: 33 total cpu time spent up to now is 77.5 secs Computing kpt #: 34 total cpu time spent up to now is 79.3 secs Computing kpt #: 35 total cpu time spent up to now is 81.1 secs Computing kpt #: 36 total cpu time spent up to now is 82.9 secs Computing kpt #: 37 total cpu time spent up to now is 84.7 secs Computing kpt #: 38 total cpu time spent up to now is 86.5 secs Computing kpt #: 39 total cpu time spent up to now is 88.3 secs Computing kpt #: 40 total cpu time spent up to now is 90.0 secs Computing kpt #: 41 total cpu time spent up to now is 91.8 secs Computing kpt #: 42 total cpu time spent up to now is 93.6 secs Computing kpt #: 43 total cpu time spent up to now is 95.3 secs Computing kpt #: 44 total cpu time spent up to now is 97.1 secs Computing kpt #: 45 total cpu time spent up to now is 98.8 secs Computing kpt #: 46 total cpu time spent up to now is 100.6 secs Computing kpt #: 47 total cpu time spent up to now is 102.3 secs Computing kpt #: 48 total cpu time spent up to now is 104.1 secs Computing kpt #: 49 total cpu time spent up to now is 105.8 secs Computing kpt #: 50 total cpu time spent up to now is 107.6 secs Computing kpt #: 51 total cpu time spent up to now is 109.4 secs Computing kpt #: 52 total cpu time spent up to now is 111.2 secs Computing kpt #: 53 total cpu time spent up to now is 113.1 secs Computing kpt #: 54 total cpu time spent up to now is 115.0 secs Computing kpt #: 55 total cpu time spent up to now is 117.2 secs Computing kpt #: 56 total cpu time spent up to now is 119.4 secs Computing kpt #: 57 total cpu time spent up to now is 121.6 secs Computing kpt #: 58 total cpu time spent up to now is 123.9 secs Computing kpt #: 59 total cpu time spent up to now is 126.1 secs Computing kpt #: 60 total cpu time spent up to now is 128.4 secs Computing kpt #: 61 total cpu time spent up to now is 130.7 secs Computing kpt #: 62 total cpu time spent up to now is 133.1 secs Computing kpt #: 63 total cpu time spent up to now is 135.4 secs Computing kpt #: 64 total cpu time spent up to now is 137.5 secs Computing kpt #: 65 total cpu time spent up to now is 139.5 secs Computing kpt #: 66 total cpu time spent up to now is 141.5 secs Computing kpt #: 67 total cpu time spent up to now is 143.4 secs Computing kpt #: 68 total cpu time spent up to now is 145.3 secs Computing kpt #: 69 total cpu time spent up to now is 147.2 secs Computing kpt #: 70 total cpu time spent up to now is 149.0 secs Computing kpt #: 71 total cpu time spent up to now is 150.8 secs Computing kpt #: 72 total cpu time spent up to now is 152.7 secs Computing kpt #: 73 total cpu time spent up to now is 154.5 secs Computing kpt #: 74 total cpu time spent up to now is 156.4 secs Computing kpt #: 75 total cpu time spent up to now is 158.2 secs Computing kpt #: 76 total cpu time spent up to now is 160.0 secs Computing kpt #: 77 total cpu time spent up to now is 161.9 secs Computing kpt #: 78 total cpu time spent up to now is 163.7 secs Computing kpt #: 79 total cpu time spent up to now is 165.5 secs Computing kpt #: 80 total cpu time spent up to now is 167.4 secs Computing kpt #: 81 total cpu time spent up to now is 169.2 secs Computing kpt #: 82 total cpu time spent up to now is 171.0 secs Computing kpt #: 83 total cpu time spent up to now is 172.8 secs Computing kpt #: 84 total cpu time spent up to now is 174.6 secs Computing kpt #: 85 total cpu time spent up to now is 176.4 secs Computing kpt #: 86 total cpu time spent up to now is 178.1 secs Computing kpt #: 87 total cpu time spent up to now is 179.9 secs Computing kpt #: 88 total cpu time spent up to now is 181.7 secs Computing kpt #: 89 total cpu time spent up to now is 183.5 secs Computing kpt #: 90 total cpu time spent up to now is 185.3 secs Computing kpt #: 91 total cpu time spent up to now is 187.1 secs Computing kpt #: 92 total cpu time spent up to now is 188.9 secs Computing kpt #: 93 total cpu time spent up to now is 190.7 secs Computing kpt #: 94 total cpu time spent up to now is 192.5 secs Computing kpt #: 95 total cpu time spent up to now is 194.3 secs Computing kpt #: 96 total cpu time spent up to now is 196.3 secs Computing kpt #: 97 total cpu time spent up to now is 198.2 secs Computing kpt #: 98 total cpu time spent up to now is 200.2 secs Computing kpt #: 99 total cpu time spent up to now is 202.2 secs Computing kpt #: 100 total cpu time spent up to now is 204.2 secs Computing kpt #: 101 total cpu time spent up to now is 206.2 secs Computing kpt #: 102 total cpu time spent up to now is 208.2 secs Computing kpt #: 103 total cpu time spent up to now is 210.3 secs Computing kpt #: 104 total cpu time spent up to now is 212.3 secs Computing kpt #: 105 total cpu time spent up to now is 214.3 secs Computing kpt #: 106 total cpu time spent up to now is 216.4 secs Computing kpt #: 107 total cpu time spent up to now is 218.4 secs Computing kpt #: 108 total cpu time spent up to now is 220.4 secs Computing kpt #: 109 total cpu time spent up to now is 222.4 secs Computing kpt #: 110 total cpu time spent up to now is 224.4 secs Computing kpt #: 111 total cpu time spent up to now is 226.4 secs Computing kpt #: 112 total cpu time spent up to now is 228.4 secs Computing kpt #: 113 total cpu time spent up to now is 230.4 secs Computing kpt #: 114 total cpu time spent up to now is 232.4 secs Computing kpt #: 115 total cpu time spent up to now is 234.4 secs Computing kpt #: 116 total cpu time spent up to now is 236.4 secs Computing kpt #: 117 total cpu time spent up to now is 238.4 secs Computing kpt #: 118 total cpu time spent up to now is 240.5 secs Computing kpt #: 119 total cpu time spent up to now is 242.6 secs Computing kpt #: 120 total cpu time spent up to now is 244.7 secs Computing kpt #: 121 total cpu time spent up to now is 246.9 secs Computing kpt #: 122 total cpu time spent up to now is 249.0 secs Computing kpt #: 123 total cpu time spent up to now is 251.4 secs Computing kpt #: 124 total cpu time spent up to now is 253.8 secs Computing kpt #: 125 total cpu time spent up to now is 256.2 secs Computing kpt #: 126 total cpu time spent up to now is 258.5 secs Computing kpt #: 127 total cpu time spent up to now is 260.7 secs Computing kpt #: 128 total cpu time spent up to now is 262.8 secs Computing kpt #: 129 total cpu time spent up to now is 265.0 secs Computing kpt #: 130 total cpu time spent up to now is 267.2 secs Computing kpt #: 131 total cpu time spent up to now is 269.1 secs Computing kpt #: 132 total cpu time spent up to now is 271.2 secs Computing kpt #: 133 total cpu time spent up to now is 273.2 secs Computing kpt #: 134 total cpu time spent up to now is 275.3 secs Computing kpt #: 135 total cpu time spent up to now is 277.4 secs Computing kpt #: 136 total cpu time spent up to now is 279.4 secs Computing kpt #: 137 total cpu time spent up to now is 281.3 secs Computing kpt #: 138 total cpu time spent up to now is 283.3 secs Computing kpt #: 139 total cpu time spent up to now is 285.2 secs Computing kpt #: 140 total cpu time spent up to now is 287.2 secs Computing kpt #: 141 total cpu time spent up to now is 289.1 secs Computing kpt #: 142 total cpu time spent up to now is 291.0 secs Computing kpt #: 143 total cpu time spent up to now is 292.8 secs Computing kpt #: 144 total cpu time spent up to now is 294.7 secs Computing kpt #: 145 total cpu time spent up to now is 296.7 secs Computing kpt #: 146 total cpu time spent up to now is 298.6 secs Computing kpt #: 147 total cpu time spent up to now is 300.5 secs Computing kpt #: 148 total cpu time spent up to now is 302.4 secs Computing kpt #: 149 total cpu time spent up to now is 304.3 secs Computing kpt #: 150 total cpu time spent up to now is 306.2 secs Computing kpt #: 151 total cpu time spent up to now is 308.1 secs Computing kpt #: 152 total cpu time spent up to now is 310.1 secs Computing kpt #: 153 total cpu time spent up to now is 312.3 secs Computing kpt #: 154 total cpu time spent up to now is 314.4 secs Computing kpt #: 155 total cpu time spent up to now is 316.5 secs Computing kpt #: 156 total cpu time spent up to now is 318.7 secs Computing kpt #: 157 total cpu time spent up to now is 321.2 secs Computing kpt #: 158 total cpu time spent up to now is 323.6 secs Computing kpt #: 159 total cpu time spent up to now is 325.7 secs Computing kpt #: 160 total cpu time spent up to now is 327.9 secs Computing kpt #: 161 total cpu time spent up to now is 330.0 secs Computing kpt #: 162 total cpu time spent up to now is 332.2 secs Computing kpt #: 163 total cpu time spent up to now is 334.4 secs Computing kpt #: 164 total cpu time spent up to now is 336.8 secs Computing kpt #: 165 total cpu time spent up to now is 339.2 secs Computing kpt #: 166 total cpu time spent up to now is 341.5 secs Computing kpt #: 167 total cpu time spent up to now is 343.8 secs Computing kpt #: 168 total cpu time spent up to now is 346.2 secs Computing kpt #: 169 total cpu time spent up to now is 348.3 secs Computing kpt #: 170 total cpu time spent up to now is 350.5 secs Computing kpt #: 171 total cpu time spent up to now is 352.6 secs Computing kpt #: 172 total cpu time spent up to now is 354.7 secs Computing kpt #: 173 total cpu time spent up to now is 356.9 secs Computing kpt #: 174 total cpu time spent up to now is 359.0 secs Computing kpt #: 175 total cpu time spent up to now is 361.2 secs Computing kpt #: 176 total cpu time spent up to now is 363.3 secs Computing kpt #: 177 total cpu time spent up to now is 365.8 secs Computing kpt #: 178 total cpu time spent up to now is 367.9 secs Computing kpt #: 179 total cpu time spent up to now is 369.9 secs Computing kpt #: 180 total cpu time spent up to now is 371.9 secs Computing kpt #: 181 total cpu time spent up to now is 374.0 secs Computing kpt #: 182 total cpu time spent up to now is 376.0 secs Computing kpt #: 183 total cpu time spent up to now is 378.1 secs Computing kpt #: 184 total cpu time spent up to now is 380.5 secs Computing kpt #: 185 total cpu time spent up to now is 382.7 secs Computing kpt #: 186 total cpu time spent up to now is 384.9 secs Computing kpt #: 187 total cpu time spent up to now is 387.0 secs Computing kpt #: 188 total cpu time spent up to now is 389.0 secs Computing kpt #: 189 total cpu time spent up to now is 391.0 secs Computing kpt #: 190 total cpu time spent up to now is 392.9 secs Computing kpt #: 191 total cpu time spent up to now is 394.8 secs Computing kpt #: 192 total cpu time spent up to now is 396.7 secs Computing kpt #: 193 total cpu time spent up to now is 398.5 secs Computing kpt #: 194 total cpu time spent up to now is 400.3 secs Computing kpt #: 195 total cpu time spent up to now is 402.2 secs Computing kpt #: 196 total cpu time spent up to now is 403.9 secs Computing kpt #: 197 total cpu time spent up to now is 405.8 secs Computing kpt #: 198 total cpu time spent up to now is 407.6 secs Computing kpt #: 199 total cpu time spent up to now is 409.4 secs Computing kpt #: 200 total cpu time spent up to now is 411.2 secs Computing kpt #: 201 total cpu time spent up to now is 413.0 secs Computing kpt #: 202 total cpu time spent up to now is 414.8 secs Computing kpt #: 203 total cpu time spent up to now is 416.6 secs Computing kpt #: 204 total cpu time spent up to now is 418.5 secs Computing kpt #: 205 total cpu time spent up to now is 420.8 secs Computing kpt #: 206 total cpu time spent up to now is 422.9 secs Computing kpt #: 207 total cpu time spent up to now is 425.1 secs Computing kpt #: 208 total cpu time spent up to now is 427.3 secs Computing kpt #: 209 total cpu time spent up to now is 429.5 secs Computing kpt #: 210 total cpu time spent up to now is 431.5 secs Computing kpt #: 211 total cpu time spent up to now is 433.5 secs Computing kpt #: 212 total cpu time spent up to now is 435.5 secs Computing kpt #: 213 total cpu time spent up to now is 437.8 secs Computing kpt #: 214 total cpu time spent up to now is 440.4 secs Computing kpt #: 215 total cpu time spent up to now is 442.9 secs Computing kpt #: 216 total cpu time spent up to now is 444.9 secs Computing kpt #: 217 total cpu time spent up to now is 446.7 secs Computing kpt #: 218 total cpu time spent up to now is 448.6 secs Computing kpt #: 219 total cpu time spent up to now is 450.4 secs Computing kpt #: 220 total cpu time spent up to now is 452.2 secs Computing kpt #: 221 total cpu time spent up to now is 454.0 secs Computing kpt #: 222 total cpu time spent up to now is 455.8 secs Computing kpt #: 223 total cpu time spent up to now is 457.5 secs Computing kpt #: 224 total cpu time spent up to now is 459.3 secs Computing kpt #: 225 total cpu time spent up to now is 461.1 secs Computing kpt #: 226 total cpu time spent up to now is 463.0 secs Computing kpt #: 227 total cpu time spent up to now is 465.1 secs Computing kpt #: 228 total cpu time spent up to now is 466.9 secs Computing kpt #: 229 total cpu time spent up to now is 468.7 secs Computing kpt #: 230 total cpu time spent up to now is 470.5 secs Computing kpt #: 231 total cpu time spent up to now is 472.3 secs Computing kpt #: 232 total cpu time spent up to now is 474.4 secs Computing kpt #: 233 total cpu time spent up to now is 476.1 secs Computing kpt #: 234 total cpu time spent up to now is 478.0 secs Computing kpt #: 235 total cpu time spent up to now is 479.7 secs Computing kpt #: 236 total cpu time spent up to now is 481.5 secs Computing kpt #: 237 total cpu time spent up to now is 483.3 secs Computing kpt #: 238 total cpu time spent up to now is 485.1 secs Computing kpt #: 239 total cpu time spent up to now is 486.9 secs Computing kpt #: 240 total cpu time spent up to now is 488.7 secs Computing kpt #: 241 total cpu time spent up to now is 490.5 secs Computing kpt #: 242 total cpu time spent up to now is 492.3 secs Computing kpt #: 243 total cpu time spent up to now is 494.0 secs Computing kpt #: 244 total cpu time spent up to now is 495.8 secs Computing kpt #: 245 total cpu time spent up to now is 497.6 secs Computing kpt #: 246 total cpu time spent up to now is 499.4 secs Computing kpt #: 247 total cpu time spent up to now is 501.2 secs Computing kpt #: 248 total cpu time spent up to now is 503.0 secs Computing kpt #: 249 total cpu time spent up to now is 504.9 secs Computing kpt #: 250 total cpu time spent up to now is 506.8 secs Computing kpt #: 251 total cpu time spent up to now is 508.7 secs Computing kpt #: 252 total cpu time spent up to now is 510.6 secs Computing kpt #: 253 total cpu time spent up to now is 512.5 secs Computing kpt #: 254 total cpu time spent up to now is 514.4 secs Computing kpt #: 255 total cpu time spent up to now is 517.4 secs Computing kpt #: 256 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 520.9 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 524.5 secs Computing kpt #: 258 total cpu time spent up to now is 527.3 secs Computing kpt #: 259 total cpu time spent up to now is 530.0 secs Computing kpt #: 260 total cpu time spent up to now is 533.0 secs Computing kpt #: 261 total cpu time spent up to now is 535.7 secs Computing kpt #: 262 total cpu time spent up to now is 538.3 secs Computing kpt #: 263 total cpu time spent up to now is 541.0 secs Computing kpt #: 264 total cpu time spent up to now is 543.7 secs Computing kpt #: 265 total cpu time spent up to now is 546.3 secs Computing kpt #: 266 total cpu time spent up to now is 549.0 secs Computing kpt #: 267 total cpu time spent up to now is 551.8 secs Computing kpt #: 268 total cpu time spent up to now is 554.2 secs Computing kpt #: 269 total cpu time spent up to now is 557.0 secs Computing kpt #: 270 total cpu time spent up to now is 559.8 secs Computing kpt #: 271 total cpu time spent up to now is 562.6 secs Computing kpt #: 272 total cpu time spent up to now is 565.9 secs Computing kpt #: 273 total cpu time spent up to now is 569.1 secs Computing kpt #: 274 total cpu time spent up to now is 572.4 secs Computing kpt #: 275 total cpu time spent up to now is 574.9 secs Computing kpt #: 276 total cpu time spent up to now is 577.3 secs Computing kpt #: 277 total cpu time spent up to now is 579.5 secs Computing kpt #: 278 total cpu time spent up to now is 581.8 secs Computing kpt #: 279 total cpu time spent up to now is 584.1 secs Computing kpt #: 280 total cpu time spent up to now is 586.3 secs Computing kpt #: 281 total cpu time spent up to now is 588.3 secs Computing kpt #: 282 total cpu time spent up to now is 590.3 secs Computing kpt #: 283 total cpu time spent up to now is 592.0 secs Computing kpt #: 284 total cpu time spent up to now is 593.8 secs Computing kpt #: 285 total cpu time spent up to now is 595.6 secs Computing kpt #: 286 total cpu time spent up to now is 597.3 secs Computing kpt #: 287 total cpu time spent up to now is 599.1 secs Computing kpt #: 288 total cpu time spent up to now is 600.9 secs Computing kpt #: 289 total cpu time spent up to now is 602.7 secs Computing kpt #: 290 total cpu time spent up to now is 604.4 secs Computing kpt #: 291 total cpu time spent up to now is 606.2 secs Computing kpt #: 292 total cpu time spent up to now is 608.0 secs Computing kpt #: 293 total cpu time spent up to now is 609.7 secs Computing kpt #: 294 total cpu time spent up to now is 611.6 secs ethr = 2.78E-08, avg # of iterations = 37.5 total cpu time spent up to now is 611.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4823 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1218 -15.1218 -15.1150 -15.1150 -14.7682 -14.7682 -14.7598 -14.7598 -14.6974 -14.6974 -14.6973 -14.6973 -4.5508 -4.5508 -4.2107 -4.2107 1.0463 1.0463 2.6036 2.6036 5.1871 5.1871 6.4257 6.4257 6.5878 6.5878 6.7857 6.7857 6.9778 6.9778 7.9081 7.9081 8.1177 8.1177 8.8934 8.8934 8.9598 8.9598 9.1435 9.1435 k = 0.0106-0.0267-0.0158 ( 4827 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1218 -15.1218 -15.1150 -15.1150 -14.7683 -14.7683 -14.7599 -14.7599 -14.6975 -14.6975 -14.6974 -14.6974 -4.5494 -4.5494 -4.2095 -4.2095 1.0474 1.0474 2.6027 2.6027 5.1887 5.1887 6.4168 6.4168 6.5784 6.5784 6.7676 6.7676 6.9585 6.9585 7.9304 7.9304 8.1379 8.1379 8.8777 8.8777 8.9473 8.9473 9.1710 9.1710 k = 0.0213-0.0535-0.0316 ( 4831 PWs) bands (ev): -33.8459 -33.8459 -33.8457 -33.8457 -15.1219 -15.1219 -15.1151 -15.1151 -14.7683 -14.7683 -14.7600 -14.7600 -14.6977 -14.6977 -14.6977 -14.6977 -4.5454 -4.5454 -4.2059 -4.2059 1.0506 1.0506 2.6001 2.6001 5.1933 5.1933 6.3881 6.3881 6.5538 6.5538 6.7071 6.7071 6.9165 6.9165 7.9872 7.9872 8.1967 8.1967 8.8238 8.8238 8.9416 8.9416 9.2288 9.2288 k = 0.0319-0.0802-0.0474 ( 4856 PWs) bands (ev): -33.8458 -33.8458 -33.8457 -33.8457 -15.1220 -15.1220 -15.1153 -15.1153 -14.7685 -14.7685 -14.7601 -14.7601 -14.6982 -14.6982 -14.6981 -14.6981 -4.5386 -4.5386 -4.1998 -4.1998 1.0560 1.0560 2.5957 2.5957 5.2010 5.2010 6.3356 6.3356 6.5227 6.5227 6.6010 6.6010 6.8744 6.8744 8.0603 8.0603 8.2868 8.2868 8.7492 8.7492 8.9487 8.9487 9.2939 9.2939 k = 0.0426-0.1069-0.0633 ( 4863 PWs) bands (ev): -33.8458 -33.8458 -33.8456 -33.8456 -15.1222 -15.1222 -15.1155 -15.1155 -14.7687 -14.7687 -14.7603 -14.7603 -14.6988 -14.6988 -14.6987 -14.6987 -4.5291 -4.5291 -4.1913 -4.1913 1.0634 1.0634 2.5894 2.5894 5.2117 5.2117 6.2589 6.2589 6.4622 6.4622 6.4910 6.4910 6.8351 6.8351 8.1391 8.1391 8.3929 8.3929 8.6701 8.6701 8.9624 8.9624 9.3589 9.3589 k = 0.0532-0.1337-0.0791 ( 4863 PWs) bands (ev): -33.8457 -33.8457 -33.8456 -33.8456 -15.1224 -15.1224 -15.1158 -15.1158 -14.7688 -14.7688 -14.7605 -14.7605 -14.6995 -14.6995 -14.6994 -14.6994 -4.5170 -4.5170 -4.1804 -4.1804 1.0729 1.0729 2.5811 2.5811 5.2253 5.2253 6.1626 6.1626 6.3052 6.3052 6.4594 6.4594 6.7947 6.7947 8.2189 8.2189 8.4821 8.4821 8.6098 8.6098 8.9808 8.9808 9.4218 9.4218 k = 0.0638-0.1604-0.0949 ( 4863 PWs) bands (ev): -33.8456 -33.8456 -33.8455 -33.8455 -15.1227 -15.1227 -15.1161 -15.1161 -14.7691 -14.7691 -14.7608 -14.7608 -14.7003 -14.7003 -14.7003 -14.7003 -4.5021 -4.5021 -4.1670 -4.1670 1.0843 1.0843 2.5705 2.5705 5.2416 5.2416 6.0515 6.0515 6.1397 6.1397 6.4265 6.4265 6.7512 6.7512 8.2956 8.2956 8.4591 8.4591 8.6540 8.6540 9.0029 9.0029 9.4815 9.4815 k = 0.0745-0.1872-0.1107 ( 4867 PWs) bands (ev): -33.8455 -33.8455 -33.8453 -33.8453 -15.1230 -15.1230 -15.1165 -15.1165 -14.7693 -14.7693 -14.7611 -14.7611 -14.7013 -14.7013 -14.7013 -14.7013 -4.4846 -4.4846 -4.1513 -4.1513 1.0974 1.0974 2.5576 2.5576 5.2605 5.2605 5.9243 5.9243 5.9764 5.9764 6.3915 6.3915 6.7041 6.7041 8.3453 8.3453 8.4026 8.4026 8.7367 8.7367 9.0284 9.0284 9.5368 9.5368 k = 0.0851-0.2139-0.1265 ( 4871 PWs) bands (ev): -33.8453 -33.8453 -33.8452 -33.8452 -15.1234 -15.1234 -15.1170 -15.1170 -14.7697 -14.7697 -14.7615 -14.7615 -14.7025 -14.7025 -14.7024 -14.7024 -4.4643 -4.4643 -4.1331 -4.1331 1.1123 1.1123 2.5421 2.5421 5.2815 5.2815 5.7687 5.7687 5.8342 5.8342 6.3539 6.3539 6.6535 6.6535 8.2766 8.2766 8.4511 8.4511 8.8017 8.8017 9.0568 9.0568 9.5853 9.5853 k = 0.0957-0.2406-0.1423 ( 4874 PWs) bands (ev): -33.8452 -33.8452 -33.8450 -33.8450 -15.1237 -15.1237 -15.1175 -15.1175 -14.7700 -14.7700 -14.7619 -14.7619 -14.7037 -14.7037 -14.7037 -14.7037 -4.4415 -4.4415 -4.1125 -4.1125 1.1287 1.1287 2.5236 2.5236 5.3034 5.3034 5.5967 5.5967 5.7065 5.7065 6.3137 6.3137 6.5998 6.5998 8.1867 8.1867 8.5117 8.5117 8.8412 8.8412 9.0875 9.0875 9.6236 9.6236 k = 0.1064-0.2674-0.1581 ( 4880 PWs) bands (ev): -33.8450 -33.8450 -33.8449 -33.8449 -15.1242 -15.1242 -15.1181 -15.1181 -14.7704 -14.7704 -14.7624 -14.7624 -14.7051 -14.7051 -14.7050 -14.7050 -4.4159 -4.4159 -4.0895 -4.0895 1.1463 1.1463 2.5017 2.5017 5.3204 5.3204 5.4260 5.4260 5.5847 5.5847 6.2711 6.2711 6.5437 6.5437 8.0945 8.0945 8.5652 8.5652 8.8565 8.8565 9.1202 9.1202 9.6500 9.6500 k = 0.1170-0.2941-0.1740 ( 4877 PWs) bands (ev): -33.8448 -33.8448 -33.8447 -33.8447 -15.1247 -15.1247 -15.1187 -15.1187 -14.7709 -14.7709 -14.7629 -14.7629 -14.7066 -14.7066 -14.7065 -14.7065 -4.3878 -4.3878 -4.0641 -4.0641 1.1650 1.1650 2.4762 2.4762 5.2331 5.2331 5.3496 5.3496 5.4775 5.4775 6.2263 6.2263 6.4858 6.4858 8.0017 8.0017 8.6093 8.6093 8.8527 8.8527 9.1546 9.1546 9.6652 9.6652 k = 0.1277-0.3208-0.1898 ( 4882 PWs) bands (ev): -33.8446 -33.8446 -33.8445 -33.8445 -15.1252 -15.1252 -15.1194 -15.1194 -14.7714 -14.7714 -14.7635 -14.7635 -14.7081 -14.7081 -14.7080 -14.7080 -4.3570 -4.3570 -4.0362 -4.0362 1.1845 1.1845 2.4466 2.4466 5.0627 5.0627 5.2978 5.2978 5.4355 5.4355 6.1795 6.1795 6.4264 6.4264 7.9089 7.9089 8.6414 8.6414 8.8371 8.8371 9.1906 9.1906 9.6708 9.6708 k = 0.1383-0.3476-0.2056 ( 4885 PWs) bands (ev): -33.8444 -33.8444 -33.8443 -33.8443 -15.1258 -15.1258 -15.1201 -15.1201 -14.7719 -14.7719 -14.7641 -14.7641 -14.7098 -14.7098 -14.7097 -14.7097 -4.3236 -4.3236 -4.0060 -4.0060 1.2043 1.2043 2.4124 2.4124 4.8913 4.8913 5.1952 5.1952 5.4537 5.4537 6.1312 6.1312 6.3662 6.3662 7.8164 7.8164 8.6571 8.6571 8.8184 8.8184 9.2281 9.2281 9.6682 9.6682 k = 0.1489-0.3743-0.2214 ( 4891 PWs) bands (ev): -33.8442 -33.8442 -33.8440 -33.8440 -15.1265 -15.1265 -15.1209 -15.1209 -14.7725 -14.7725 -14.7648 -14.7648 -14.7115 -14.7115 -14.7114 -14.7114 -4.2876 -4.2876 -3.9735 -3.9735 1.2240 1.2240 2.3732 2.3732 4.7225 4.7225 5.0870 5.0870 5.4849 5.4849 6.0816 6.0816 6.3055 6.3055 7.7244 7.7244 8.6506 8.6506 8.8060 8.8060 9.2666 9.2666 9.6586 9.6586 k = 0.1596-0.4011-0.2372 ( 4889 PWs) bands (ev): -33.8439 -33.8439 -33.8438 -33.8438 -15.1272 -15.1272 -15.1217 -15.1217 -14.7731 -14.7731 -14.7656 -14.7656 -14.7132 -14.7132 -14.7131 -14.7131 -4.2491 -4.2491 -3.9385 -3.9385 1.2432 1.2432 2.3284 2.3284 4.5575 4.5575 4.9821 4.9821 5.5202 5.5202 6.0310 6.0310 6.2448 6.2448 7.6330 7.6330 8.6217 8.6217 8.8027 8.8027 9.3061 9.3061 9.6423 9.6423 k = 0.1702-0.4278-0.2530 ( 4891 PWs) bands (ev): -33.8437 -33.8437 -33.8435 -33.8435 -15.1279 -15.1279 -15.1226 -15.1226 -14.7738 -14.7738 -14.7664 -14.7664 -14.7150 -14.7150 -14.7149 -14.7149 -4.2081 -4.2081 -3.9012 -3.9012 1.2612 1.2612 2.2778 2.2778 4.3973 4.3973 4.8829 4.8829 5.5576 5.5576 5.9800 5.9800 6.1844 6.1844 7.5423 7.5423 8.5779 8.5779 8.8031 8.8031 9.3461 9.3461 9.6183 9.6183 k = 0.1809-0.4545-0.2688 ( 4898 PWs) bands (ev): -33.8434 -33.8434 -33.8433 -33.8433 -15.1287 -15.1287 -15.1235 -15.1235 -14.7745 -14.7745 -14.7673 -14.7673 -14.7168 -14.7168 -14.7167 -14.7167 -4.1645 -4.1645 -3.8616 -3.8616 1.2771 1.2771 2.2209 2.2209 4.2428 4.2428 4.7907 4.7907 5.5962 5.5962 5.9289 5.9289 6.1246 6.1246 7.4524 7.4524 8.5262 8.5262 8.8020 8.8020 9.3866 9.3866 9.5844 9.5844 k = 0.1915-0.4813-0.2847 ( 4906 PWs) bands (ev): -33.8431 -33.8431 -33.8430 -33.8430 -15.1295 -15.1295 -15.1245 -15.1245 -14.7753 -14.7753 -14.7682 -14.7682 -14.7186 -14.7186 -14.7185 -14.7185 -4.1184 -4.1184 -3.8196 -3.8196 1.2902 1.2902 2.1575 2.1575 4.0950 4.0950 4.7061 4.7061 5.6349 5.6349 5.8784 5.8784 6.0656 6.0656 7.3634 7.3634 8.4702 8.4702 8.7972 8.7972 9.4267 9.4267 9.5387 9.5387 k = 0.2021-0.5080-0.3005 ( 4910 PWs) bands (ev): -33.8429 -33.8429 -33.8427 -33.8427 -15.1303 -15.1303 -15.1256 -15.1256 -14.7761 -14.7761 -14.7692 -14.7692 -14.7205 -14.7205 -14.7203 -14.7203 -4.0700 -4.0700 -3.7753 -3.7753 1.2994 1.2994 2.0876 2.0876 3.9550 3.9550 4.6296 4.6296 5.6718 5.6718 5.8303 5.8303 6.0077 6.0077 7.2755 7.2755 8.4123 8.4123 8.7880 8.7880 9.4580 9.4580 9.4887 9.4887 k = 0.2128-0.5347-0.3163 ( 4909 PWs) bands (ev): -33.8426 -33.8426 -33.8424 -33.8424 -15.1312 -15.1312 -15.1266 -15.1266 -14.7770 -14.7770 -14.7702 -14.7702 -14.7223 -14.7223 -14.7220 -14.7220 -4.0191 -4.0191 -3.7288 -3.7288 1.3033 1.3033 2.0113 2.0113 3.8240 3.8240 4.5614 4.5614 5.6994 5.6994 5.7916 5.7916 5.9514 5.9514 7.1885 7.1885 8.3537 8.3537 8.7742 8.7742 9.4035 9.4035 9.5132 9.5132 k = 0.2234-0.5615-0.3321 ( 4907 PWs) bands (ev): -33.8423 -33.8423 -33.8422 -33.8422 -15.1321 -15.1321 -15.1277 -15.1277 -14.7779 -14.7779 -14.7713 -14.7713 -14.7240 -14.7240 -14.7238 -14.7238 -3.9658 -3.9658 -3.6800 -3.6800 1.3008 1.3008 1.9287 1.9287 3.7035 3.7035 4.5017 4.5017 5.6920 5.6920 5.7871 5.7871 5.8974 5.8974 7.1027 7.1027 8.2954 8.2954 8.7563 8.7563 9.3254 9.3254 9.5530 9.5530 k = 0.2340-0.5882-0.3479 ( 4911 PWs) bands (ev): -33.8420 -33.8420 -33.8419 -33.8419 -15.1331 -15.1331 -15.1288 -15.1288 -14.7788 -14.7788 -14.7725 -14.7725 -14.7258 -14.7258 -14.7255 -14.7255 -3.9102 -3.9102 -3.6290 -3.6290 1.2903 1.2903 1.8402 1.8402 3.5947 3.5947 4.4501 4.4501 5.6530 5.6530 5.8063 5.8063 5.8528 5.8528 7.0180 7.0180 8.2381 8.2381 8.7347 8.7347 9.2415 9.2415 9.5931 9.5931 k = 0.2447-0.6149-0.3637 ( 4910 PWs) bands (ev): -33.8417 -33.8417 -33.8416 -33.8416 -15.1341 -15.1341 -15.1299 -15.1299 -14.7798 -14.7798 -14.7737 -14.7737 -14.7275 -14.7275 -14.7271 -14.7271 -3.8523 -3.8523 -3.5758 -3.5758 1.2704 1.2704 1.7465 1.7465 3.4990 3.4990 4.4065 4.4065 5.6069 5.6069 5.7805 5.7805 5.8617 5.8617 6.9345 6.9345 8.1825 8.1825 8.7101 8.7101 9.1548 9.1548 9.6325 9.6325 k = 0.2553-0.6417-0.3795 ( 4912 PWs) bands (ev): -33.8414 -33.8414 -33.8413 -33.8413 -15.1350 -15.1350 -15.1311 -15.1311 -14.7808 -14.7808 -14.7749 -14.7749 -14.7291 -14.7291 -14.7287 -14.7287 -3.7922 -3.7922 -3.5204 -3.5204 1.2397 1.2397 1.6483 1.6483 3.4178 3.4178 4.3704 4.3704 5.5597 5.5597 5.7326 5.7326 5.8946 5.8946 6.8523 6.8523 8.1291 8.1291 8.6829 8.6829 9.0670 9.0670 9.6627 9.6628 k = 0.2660-0.6684-0.3954 ( 4912 PWs) bands (ev): -33.8411 -33.8411 -33.8410 -33.8410 -15.1360 -15.1360 -15.1323 -15.1323 -14.7819 -14.7819 -14.7762 -14.7762 -14.7306 -14.7306 -14.7301 -14.7301 -3.7300 -3.7300 -3.4631 -3.4631 1.1973 1.1973 1.5462 1.5462 3.3518 3.3518 4.3413 4.3413 5.5129 5.5129 5.6843 5.6843 5.9284 5.9284 6.7714 6.7714 8.0784 8.0784 8.6536 8.6536 8.9793 8.9793 9.6435 9.6435 k = 0.2766-0.6952-0.4112 ( 4908 PWs) bands (ev): -33.8408 -33.8408 -33.8407 -33.8407 -15.1371 -15.1371 -15.1335 -15.1335 -14.7830 -14.7830 -14.7776 -14.7776 -14.7321 -14.7321 -14.7315 -14.7315 -3.6656 -3.6656 -3.4036 -3.4036 1.1426 1.1426 1.4411 1.4411 3.3015 3.3015 4.3185 4.3185 5.4671 5.4671 5.6372 5.6372 5.9602 5.9602 6.6920 6.6920 8.0309 8.0309 8.6227 8.6227 8.8926 8.8926 9.6213 9.6213 k = 0.2872-0.7219-0.4270 ( 4911 PWs) bands (ev): -33.8405 -33.8405 -33.8404 -33.8404 -15.1381 -15.1381 -15.1347 -15.1347 -14.7841 -14.7841 -14.7790 -14.7790 -14.7335 -14.7335 -14.7329 -14.7329 -3.5993 -3.5993 -3.3423 -3.3423 1.0757 1.0757 1.3337 1.3337 3.2667 3.2667 4.3014 4.3014 5.4225 5.4225 5.5919 5.5919 5.9890 5.9890 6.6142 6.6142 7.9869 7.9869 8.5905 8.5905 8.8079 8.8079 9.5996 9.5996 k = 0.2979-0.7486-0.4428 ( 4914 PWs) bands (ev): -33.8402 -33.8402 -33.8401 -33.8401 -15.1391 -15.1391 -15.1359 -15.1359 -14.7852 -14.7852 -14.7804 -14.7804 -14.7348 -14.7348 -14.7341 -14.7341 -3.5311 -3.5311 -3.2791 -3.2791 0.9974 0.9974 1.2246 1.2246 3.2468 3.2468 4.2893 4.2893 5.3795 5.3795 5.5483 5.5483 6.0141 6.0141 6.5381 6.5381 7.9468 7.9468 8.5570 8.5570 8.7257 8.7257 9.5788 9.5788 k = 0.3085-0.7754-0.4586 ( 4914 PWs) bands (ev): -33.8399 -33.8399 -33.8398 -33.8398 -15.1402 -15.1402 -15.1371 -15.1371 -14.7864 -14.7864 -14.7818 -14.7818 -14.7361 -14.7361 -14.7353 -14.7353 -3.4611 -3.4611 -3.2142 -3.2142 0.9090 0.9090 1.1142 1.1142 3.2405 3.2405 4.2817 4.2817 5.3381 5.3381 5.5066 5.5066 6.0348 6.0348 6.4641 6.4641 7.9109 7.9109 8.5220 8.5220 8.6473 8.6473 9.5595 9.5595 k = 0.3191-0.8021-0.4744 ( 4914 PWs) bands (ev): -33.8397 -33.8397 -33.8396 -33.8396 -15.1412 -15.1412 -15.1383 -15.1383 -14.7875 -14.7875 -14.7832 -14.7832 -14.7372 -14.7372 -14.7363 -14.7363 -3.3894 -3.3894 -3.1477 -3.1477 0.8123 0.8123 1.0029 1.0029 3.2466 3.2466 4.2777 4.2777 5.2984 5.2984 5.4669 5.4669 6.0503 6.0503 6.3924 6.3924 7.8794 7.8794 8.4844 8.4844 8.5743 8.5743 9.5419 9.5419 k = 0.3298-0.8288-0.4902 ( 4910 PWs) bands (ev): -33.8394 -33.8394 -33.8393 -33.8393 -15.1422 -15.1422 -15.1395 -15.1395 -14.7887 -14.7887 -14.7845 -14.7845 -14.7382 -14.7382 -14.7373 -14.7373 -3.3161 -3.3161 -3.0797 -3.0797 0.7094 0.7094 0.8907 0.8907 3.2636 3.2636 4.2768 4.2768 5.2606 5.2606 5.4293 5.4293 6.0598 6.0598 6.3237 6.3237 7.8526 7.8526 8.4412 8.4412 8.5102 8.5102 9.5264 9.5264 k = 0.3404-0.8556-0.5061 ( 4912 PWs) bands (ev): -33.8392 -33.8392 -33.8390 -33.8390 -15.1432 -15.1432 -15.1406 -15.1406 -14.7898 -14.7898 -14.7859 -14.7859 -14.7392 -14.7392 -14.7382 -14.7382 -3.2416 -3.2416 -3.0104 -3.0104 0.6020 0.6020 0.7780 0.7780 3.2898 3.2898 4.2783 4.2783 5.2247 5.2247 5.3936 5.3936 6.0623 6.0623 6.2592 6.2592 7.8304 7.8304 8.3891 8.3891 8.4590 8.4590 9.5129 9.5129 k = 0.3511-0.8823-0.5219 ( 4917 PWs) bands (ev): -33.8389 -33.8389 -33.8388 -33.8388 -15.1442 -15.1442 -15.1417 -15.1417 -14.7909 -14.7909 -14.7873 -14.7873 -14.7401 -14.7401 -14.7391 -14.7391 -3.1659 -3.1659 -2.9401 -2.9401 0.4919 0.4919 0.6650 0.6650 3.3239 3.3239 4.2814 4.2814 5.1909 5.1909 5.3601 5.3601 6.0556 6.0556 6.2010 6.2010 7.8128 7.8128 8.3306 8.3306 8.4183 8.4183 9.5017 9.5017 k = 0.3617-0.9091-0.5377 ( 4921 PWs) bands (ev): -33.8387 -33.8387 -33.8386 -33.8386 -15.1451 -15.1451 -15.1428 -15.1428 -14.7920 -14.7920 -14.7886 -14.7886 -14.7409 -14.7409 -14.7398 -14.7398 -3.0893 -3.0893 -2.8690 -2.8690 0.3806 0.3806 0.5523 0.5523 3.3645 3.3645 4.2854 4.2854 5.1591 5.1591 5.3287 5.3287 6.0364 6.0364 6.1531 6.1531 7.7996 7.7996 8.2715 8.2715 8.3830 8.3830 9.4927 9.4927 k = 0.3723-0.9358-0.5535 ( 4921 PWs) bands (ev): -33.8385 -33.8385 -33.8384 -33.8384 -15.1460 -15.1460 -15.1438 -15.1438 -14.7930 -14.7930 -14.7898 -14.7898 -14.7416 -14.7416 -14.7405 -14.7405 -3.0122 -3.0122 -2.7975 -2.7975 0.2694 0.2694 0.4405 0.4405 3.4106 3.4106 4.2897 4.2897 5.1295 5.1295 5.2995 5.2995 6.0026 6.0026 6.1181 6.1181 7.7905 7.7905 8.2148 8.2148 8.3504 8.3504 9.4858 9.4858 k = 0.3830-0.9625-0.5693 ( 4919 PWs) bands (ev): -33.8383 -33.8383 -33.8381 -33.8381 -15.1468 -15.1468 -15.1448 -15.1448 -14.7940 -14.7940 -14.7910 -14.7910 -14.7423 -14.7423 -14.7411 -14.7411 -2.9350 -2.9350 -2.7259 -2.7259 0.1593 0.1593 0.3303 0.3303 3.4610 3.4610 4.2934 4.2934 5.1022 5.1022 5.2725 5.2725 5.9590 5.9590 6.0921 6.0921 7.7851 7.7851 8.1614 8.1614 8.3197 8.3197 9.4809 9.4809 k = 0.3936-0.9893-0.5851 ( 4927 PWs) bands (ev): -33.8381 -33.8381 -33.8380 -33.8380 -15.1476 -15.1476 -15.1457 -15.1457 -14.7949 -14.7949 -14.7921 -14.7921 -14.7429 -14.7429 -14.7417 -14.7417 -2.8580 -2.8580 -2.6549 -2.6549 0.0515 0.0515 0.2226 0.2226 3.5149 3.5149 4.2957 4.2957 5.0770 5.0770 5.2476 5.2476 5.9123 5.9123 6.0693 6.0693 7.7830 7.7830 8.1121 8.1121 8.2906 8.2906 9.4777 9.4777 k = 0.4043-1.0160-0.6010 ( 4927 PWs) bands (ev): -33.8379 -33.8379 -33.8378 -33.8378 -15.1484 -15.1484 -15.1465 -15.1465 -14.7958 -14.7958 -14.7931 -14.7931 -14.7434 -14.7434 -14.7422 -14.7422 -2.7819 -2.7819 -2.5850 -2.5850 -0.0529 -0.0529 0.1182 0.1182 3.5713 3.5713 4.2959 4.2959 5.0542 5.0542 5.2250 5.2250 5.8668 5.8668 6.0467 6.0467 7.7836 7.7836 8.0670 8.0670 8.2631 8.2631 9.4759 9.4759 k = 0.4149-1.0427-0.6168 ( 4926 PWs) bands (ev): -33.8377 -33.8377 -33.8376 -33.8376 -15.1490 -15.1490 -15.1473 -15.1473 -14.7966 -14.7966 -14.7941 -14.7941 -14.7438 -14.7438 -14.7426 -14.7426 -2.7075 -2.7075 -2.5170 -2.5170 -0.1529 -0.1529 0.0181 0.0181 3.6295 3.6295 4.2930 4.2930 5.0337 5.0337 5.2047 5.2047 5.8245 5.8245 6.0236 6.0236 7.7865 7.7865 8.0263 8.0263 8.2374 8.2374 9.4754 9.4754 k = 0.4255-1.0695-0.6326 ( 4923 PWs) bands (ev): -33.8376 -33.8376 -33.8375 -33.8375 -15.1496 -15.1496 -15.1480 -15.1480 -14.7973 -14.7973 -14.7949 -14.7949 -14.7442 -14.7442 -14.7430 -14.7430 -2.6356 -2.6356 -2.4518 -2.4518 -0.2472 -0.2472 -0.0764 -0.0764 3.6887 3.6887 4.2864 4.2864 5.0156 5.0156 5.1867 5.1867 5.7867 5.7867 6.0001 6.0001 7.7913 7.7913 7.9901 7.9901 8.2135 8.2135 9.4757 9.4757 k = 0.4362-1.0962-0.6484 ( 4927 PWs) bands (ev): -33.8375 -33.8375 -33.8374 -33.8374 -15.1502 -15.1502 -15.1486 -15.1486 -14.7979 -14.7979 -14.7957 -14.7957 -14.7446 -14.7446 -14.7433 -14.7433 -2.5675 -2.5675 -2.3908 -2.3908 -0.3343 -0.3343 -0.1641 -0.1641 3.7482 3.7482 4.2755 4.2755 4.9998 4.9998 5.1710 5.1710 5.7539 5.7539 5.9769 5.9769 7.7973 7.7973 7.9584 7.9584 8.1918 8.1918 9.4766 9.4766 k = 0.4468-1.1229-0.6642 ( 4929 PWs) bands (ev): -33.8374 -33.8374 -33.8373 -33.8373 -15.1506 -15.1506 -15.1491 -15.1491 -14.7985 -14.7985 -14.7963 -14.7963 -14.7448 -14.7448 -14.7436 -14.7436 -2.5046 -2.5046 -2.3352 -2.3352 -0.4128 -0.4128 -0.2434 -0.2434 3.8071 3.8071 4.2596 4.2596 4.9865 4.9865 5.1576 5.1576 5.7265 5.7265 5.9547 5.9547 7.8041 7.8041 7.9310 7.9310 8.1725 8.1725 9.4778 9.4778 k = 0.4574-1.1497-0.6800 ( 4937 PWs) bands (ev): -33.8373 -33.8373 -33.8372 -33.8372 -15.1510 -15.1510 -15.1496 -15.1496 -14.7989 -14.7989 -14.7968 -14.7968 -14.7451 -14.7451 -14.7438 -14.7438 -2.4486 -2.4486 -2.2866 -2.2866 -0.4807 -0.4807 -0.3124 -0.3124 3.8646 3.8646 4.2388 4.2388 4.9756 4.9756 5.1466 5.1466 5.7047 5.7047 5.9345 5.9345 7.8115 7.8115 7.9078 7.9078 8.1559 8.1559 9.4791 9.4791 k = 0.4681-1.1764-0.6958 ( 4938 PWs) bands (ev): -33.8372 -33.8372 -33.8371 -33.8371 -15.1514 -15.1514 -15.1499 -15.1499 -14.7993 -14.7993 -14.7973 -14.7973 -14.7452 -14.7452 -14.7440 -14.7440 -2.4016 -2.4016 -2.2465 -2.2465 -0.5363 -0.5363 -0.3692 -0.3692 3.9195 3.9195 4.2131 4.2131 4.9672 4.9672 5.1380 5.1380 5.6884 5.6884 5.9174 5.9174 7.8190 7.8190 7.8888 7.8888 8.1424 8.1424 9.4803 9.4803 k = 0.4787-1.2032-0.7117 ( 4924 PWs) bands (ev): -33.8371 -33.8371 -33.8371 -33.8371 -15.1515 -15.1515 -15.1501 -15.1501 -14.7995 -14.7995 -14.7975 -14.7975 -14.7453 -14.7453 -14.7441 -14.7441 -2.3658 -2.3658 -2.2167 -2.2167 -0.5777 -0.5777 -0.4118 -0.4118 3.9700 3.9700 4.1840 4.1840 4.9611 4.9611 5.1319 5.1319 5.6771 5.6771 5.9043 5.9043 7.8264 7.8264 7.8736 7.8736 8.1325 8.1325 9.4812 9.4812 k = 0.4894-1.2299-0.7275 ( 4926 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1517 -15.1517 -15.1503 -15.1503 -14.7997 -14.7997 -14.7977 -14.7977 -14.7454 -14.7454 -14.7441 -14.7441 -2.3433 -2.3433 -2.1982 -2.1982 -0.6032 -0.6032 -0.4382 -0.4382 4.0116 4.0116 4.1554 4.1554 4.9575 4.9575 5.1282 5.1282 5.6706 5.6706 5.8960 5.8960 7.8330 7.8330 7.8624 7.8624 8.1263 8.1263 9.4818 9.4818 k = 0.5000-1.2566-0.7433 ( 4936 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1517 -15.1517 -15.1503 -15.1503 -14.7998 -14.7998 -14.7978 -14.7978 -14.7455 -14.7455 -14.7442 -14.7442 -2.3356 -2.3356 -2.1920 -2.1920 -0.6118 -0.6118 -0.4472 -0.4472 4.0305 4.0305 4.1409 4.1409 4.9563 4.9563 5.1270 5.1270 5.6684 5.6684 5.8932 5.8932 7.8364 7.8364 7.8575 7.8575 8.1243 8.1243 9.4820 9.4821 k = 0.5000-1.2566-0.7433 ( 4936 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1517 -15.1517 -15.1503 -15.1503 -14.7998 -14.7998 -14.7978 -14.7978 -14.7455 -14.7455 -14.7442 -14.7442 -2.3356 -2.3356 -2.1920 -2.1920 -0.6118 -0.6118 -0.4472 -0.4472 4.0305 4.0305 4.1409 4.1409 4.9563 4.9563 5.1270 5.1270 5.6684 5.6684 5.8932 5.8932 7.8364 7.8364 7.8575 7.8575 8.1243 8.1243 9.4820 9.4820 k = 0.5000-1.2397-0.7719 ( 4924 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1517 -15.1517 -15.1503 -15.1503 -14.7997 -14.7997 -14.7977 -14.7977 -14.7455 -14.7455 -14.7442 -14.7442 -2.3342 -2.3342 -2.1905 -2.1905 -0.6122 -0.6122 -0.4476 -0.4476 4.0292 4.0292 4.1405 4.1405 4.9471 4.9471 5.1174 5.1174 5.6695 5.6695 5.8925 5.8925 7.8392 7.8392 7.8715 7.8715 8.1361 8.1361 9.4823 9.4823 k = 0.5000-1.2228-0.8004 ( 4926 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1517 -15.1517 -15.1503 -15.1503 -14.7996 -14.7996 -14.7976 -14.7976 -14.7457 -14.7457 -14.7445 -14.7445 -2.3299 -2.3299 -2.1862 -2.1862 -0.6133 -0.6133 -0.4488 -0.4488 4.0249 4.0249 4.1393 4.1393 4.9204 4.9204 5.0894 5.0894 5.6724 5.6724 5.8905 5.8905 7.8467 7.8467 7.9125 7.9125 8.1720 8.1720 9.4829 9.4829 k = 0.5000-1.2059-0.8290 ( 4922 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1517 -15.1517 -15.1503 -15.1503 -14.7994 -14.7994 -14.7975 -14.7975 -14.7461 -14.7461 -14.7448 -14.7448 -2.3228 -2.3228 -2.1791 -2.1791 -0.6151 -0.6151 -0.4509 -0.4509 4.0172 4.0172 4.1368 4.1368 4.8793 4.8793 5.0455 5.0455 5.6767 5.6767 5.8869 5.8869 7.8569 7.8569 7.9783 7.9783 8.2321 8.2321 9.4840 9.4840 k = 0.5000-1.1890-0.8576 ( 4926 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1517 -15.1517 -15.1503 -15.1503 -14.7992 -14.7992 -14.7973 -14.7973 -14.7466 -14.7466 -14.7454 -14.7454 -2.3128 -2.3128 -2.1691 -2.1691 -0.6178 -0.6178 -0.4540 -0.4540 4.0049 4.0049 4.1320 4.1320 4.8278 4.8278 4.9896 4.9896 5.6818 5.6818 5.8817 5.8817 7.8681 7.8681 8.0657 8.0657 8.3154 8.3154 9.4855 9.4855 k = 0.5000-1.1721-0.8861 ( 4926 PWs) bands (ev): -33.8370 -33.8370 -33.8369 -33.8369 -15.1518 -15.1518 -15.1504 -15.1504 -14.7989 -14.7989 -14.7970 -14.7970 -14.7473 -14.7473 -14.7460 -14.7460 -2.3000 -2.3000 -2.1562 -2.1562 -0.6214 -0.6214 -0.4580 -0.4580 3.9865 3.9865 4.1235 4.1235 4.7709 4.7709 4.9264 4.9264 5.6872 5.6872 5.8748 5.8748 7.8795 7.8795 8.1711 8.1711 8.4195 8.4195 9.4876 9.4876 k = 0.5000-1.1552-0.9147 ( 4932 PWs) bands (ev): -33.8370 -33.8370 -33.8369 -33.8369 -15.1518 -15.1518 -15.1504 -15.1504 -14.7985 -14.7985 -14.7967 -14.7967 -14.7481 -14.7481 -14.7469 -14.7469 -2.2844 -2.2844 -2.1405 -2.1405 -0.6260 -0.6260 -0.4633 -0.4633 3.9602 3.9602 4.1095 4.1095 4.7135 4.7135 4.8609 4.8609 5.6923 5.6923 5.8660 5.8660 7.8908 7.8908 8.2910 8.2910 8.5410 8.5410 9.4903 9.4903 k = 0.5000-1.1383-0.9433 ( 4926 PWs) bands (ev): -33.8370 -33.8370 -33.8369 -33.8369 -15.1518 -15.1518 -15.1505 -15.1505 -14.7981 -14.7981 -14.7963 -14.7963 -14.7490 -14.7490 -14.7478 -14.7478 -2.2660 -2.2660 -2.1220 -2.1220 -0.6319 -0.6319 -0.4698 -0.4698 3.9241 3.9241 4.0874 4.0874 4.6606 4.6606 4.7987 4.7987 5.6971 5.6971 5.8552 5.8552 7.9018 7.9018 8.4216 8.4216 8.6764 8.6764 9.4937 9.4937 k = 0.5000-1.1214-0.9718 ( 4926 PWs) bands (ev): -33.8369 -33.8369 -33.8368 -33.8368 -15.1518 -15.1518 -15.1505 -15.1505 -14.7976 -14.7976 -14.7958 -14.7958 -14.7501 -14.7501 -14.7489 -14.7489 -2.2447 -2.2447 -2.1006 -2.1006 -0.6392 -0.6392 -0.4778 -0.4778 3.8767 3.8767 4.0546 4.0546 4.6161 4.6161 4.7447 4.7447 5.7011 5.7011 5.8425 5.8425 7.9126 7.9126 8.5596 8.5596 8.8216 8.8216 9.4980 9.4980 k = 0.5000-1.1045-1.0004 ( 4932 PWs) bands (ev): -33.8369 -33.8369 -33.8368 -33.8368 -15.1518 -15.1518 -15.1506 -15.1506 -14.7970 -14.7970 -14.7953 -14.7953 -14.7512 -14.7512 -14.7501 -14.7501 -2.2205 -2.2205 -2.0763 -2.0763 -0.6481 -0.6481 -0.4876 -0.4876 3.8179 3.8179 4.0095 4.0095 4.5825 4.5825 4.7029 4.7029 5.7044 5.7044 5.8278 5.8278 7.9229 7.9229 8.7012 8.7012 8.9723 8.9723 9.5035 9.5035 k = 0.5000-1.0876-1.0290 ( 4934 PWs) bands (ev): -33.8368 -33.8368 -33.8367 -33.8367 -15.1519 -15.1519 -15.1506 -15.1506 -14.7964 -14.7964 -14.7947 -14.7947 -14.7525 -14.7525 -14.7514 -14.7514 -2.1936 -2.1936 -2.0493 -2.0493 -0.6588 -0.6588 -0.4992 -0.4992 3.7489 3.7489 3.9520 3.9520 4.5604 4.5604 4.6751 4.6751 5.7068 5.7068 5.8111 5.8111 7.9326 7.9326 8.8426 8.8426 9.1228 9.1228 9.5105 9.5105 k = 0.5000-1.0707-1.0576 ( 4936 PWs) bands (ev): -33.8367 -33.8367 -33.8367 -33.8367 -15.1519 -15.1519 -15.1507 -15.1507 -14.7957 -14.7957 -14.7941 -14.7941 -14.7539 -14.7539 -14.7527 -14.7527 -2.1638 -2.1638 -2.0194 -2.0194 -0.6717 -0.6717 -0.5131 -0.5131 3.6718 3.6718 3.8838 3.8838 4.5490 4.5490 4.6610 4.6610 5.7080 5.7080 5.7923 5.7923 7.9413 7.9413 8.9788 8.9788 9.2652 9.2652 9.5188 9.5188 k = 0.5000-1.0538-1.0861 ( 4928 PWs) bands (ev): -33.8367 -33.8367 -33.8366 -33.8366 -15.1519 -15.1519 -15.1508 -15.1508 -14.7949 -14.7949 -14.7934 -14.7934 -14.7553 -14.7553 -14.7542 -14.7542 -2.1312 -2.1312 -1.9867 -1.9867 -0.6869 -0.6869 -0.5293 -0.5293 3.5894 3.5894 3.8081 3.8081 4.5469 4.5469 4.6589 4.6589 5.7079 5.7079 5.7714 5.7714 7.9488 7.9488 9.1027 9.1027 9.3886 9.3886 9.5262 9.5262 k = 0.5000-1.0369-1.1147 ( 4928 PWs) bands (ev): -33.8366 -33.8366 -33.8365 -33.8365 -15.1520 -15.1520 -15.1508 -15.1508 -14.7941 -14.7941 -14.7926 -14.7926 -14.7568 -14.7568 -14.7557 -14.7557 -2.0958 -2.0958 -1.9511 -1.9511 -0.7048 -0.7048 -0.5483 -0.5483 3.5045 3.5045 3.7281 3.7281 4.5526 4.5526 4.6666 4.6666 5.7063 5.7063 5.7484 5.7484 7.9547 7.9547 9.2049 9.2049 9.4811 9.4811 9.5250 9.5250 k = 0.5000-1.0200-1.1433 ( 4932 PWs) bands (ev): -33.8366 -33.8366 -33.8365 -33.8365 -15.1520 -15.1520 -15.1510 -15.1510 -14.7933 -14.7933 -14.7919 -14.7919 -14.7584 -14.7584 -14.7574 -14.7574 -2.0577 -2.0577 -1.9128 -1.9128 -0.7257 -0.7257 -0.5703 -0.5703 3.4192 3.4192 3.6467 3.6467 4.5646 4.5646 4.6821 4.6821 5.7026 5.7026 5.7237 5.7237 7.9589 7.9589 9.2760 9.2760 9.5076 9.5076 9.5396 9.5396 k = 0.5000-1.0031-1.1718 ( 4932 PWs) bands (ev): -33.8365 -33.8365 -33.8364 -33.8364 -15.1521 -15.1521 -15.1511 -15.1511 -14.7924 -14.7924 -14.7910 -14.7910 -14.7600 -14.7600 -14.7590 -14.7590 -2.0167 -2.0167 -1.8717 -1.8717 -0.7499 -0.7499 -0.5956 -0.5956 3.3356 3.3356 3.5662 3.5662 4.5818 4.5818 4.7038 4.7038 5.6915 5.6915 5.7021 5.7021 7.9611 7.9611 9.3123 9.3123 9.4823 9.4823 9.5704 9.5704 k = 0.5000-0.9863-1.2004 ( 4932 PWs) bands (ev): -33.8364 -33.8364 -33.8363 -33.8363 -15.1522 -15.1522 -15.1512 -15.1512 -14.7914 -14.7914 -14.7901 -14.7901 -14.7617 -14.7617 -14.7607 -14.7607 -1.9729 -1.9729 -1.8278 -1.8278 -0.7776 -0.7776 -0.6244 -0.6244 3.2552 3.2552 3.4884 3.4884 4.6035 4.6035 4.7304 4.7304 5.6642 5.6642 5.6924 5.6924 7.9615 7.9615 9.3161 9.3161 9.4625 9.4625 9.5850 9.5850 k = 0.5000-0.9694-1.2290 ( 4926 PWs) bands (ev): -33.8364 -33.8364 -33.8363 -33.8363 -15.1522 -15.1522 -15.1513 -15.1513 -14.7904 -14.7904 -14.7892 -14.7892 -14.7633 -14.7633 -14.7624 -14.7624 -1.9264 -1.9264 -1.7811 -1.7811 -0.8091 -0.8091 -0.6570 -0.6570 3.1792 3.1792 3.4149 3.4149 4.6290 4.6290 4.7609 4.7609 5.6328 5.6328 5.6822 5.6822 7.9601 7.9601 9.2943 9.2943 9.4540 9.4540 9.5923 9.5923 k = 0.5000-0.9525-1.2575 ( 4928 PWs) bands (ev): -33.8363 -33.8363 -33.8362 -33.8362 -15.1523 -15.1523 -15.1514 -15.1514 -14.7894 -14.7894 -14.7882 -14.7882 -14.7650 -14.7650 -14.7641 -14.7641 -1.8771 -1.8771 -1.7316 -1.7316 -0.8448 -0.8448 -0.6936 -0.6936 3.1088 3.1088 3.3467 3.3467 4.6578 4.6578 4.7945 4.7945 5.5992 5.5992 5.6695 5.6695 7.9572 7.9572 9.2584 9.2584 9.4526 9.4526 9.5973 9.5973 k = 0.5000-0.9356-1.2861 ( 4926 PWs) bands (ev): -33.8362 -33.8362 -33.8362 -33.8362 -15.1524 -15.1524 -15.1515 -15.1515 -14.7883 -14.7883 -14.7872 -14.7872 -14.7667 -14.7667 -14.7658 -14.7658 -1.8251 -1.8251 -1.6795 -1.6795 -0.8846 -0.8846 -0.7343 -0.7343 3.0447 3.0447 3.2847 3.2847 4.6896 4.6896 4.8303 4.8303 5.5638 5.5638 5.6538 5.6538 7.9533 7.9533 9.2173 9.2173 9.4537 9.4537 9.6026 9.6026 k = 0.5000-0.9187-1.3147 ( 4926 PWs) bands (ev): -33.8362 -33.8362 -33.8361 -33.8361 -15.1524 -15.1524 -15.1516 -15.1516 -14.7871 -14.7871 -14.7862 -14.7862 -14.7684 -14.7684 -14.7676 -14.7676 -1.7703 -1.7703 -1.6246 -1.6246 -0.9289 -0.9289 -0.7794 -0.7794 2.9875 2.9875 3.2295 3.2295 4.7240 4.7240 4.8676 4.8676 5.5271 5.5271 5.6349 5.6349 7.9489 7.9489 9.1753 9.1753 9.4553 9.4553 9.6092 9.6092 k = 0.5000-0.9018-1.3433 ( 4914 PWs) bands (ev): -33.8361 -33.8361 -33.8361 -33.8361 -15.1524 -15.1524 -15.1517 -15.1517 -14.7859 -14.7859 -14.7851 -14.7851 -14.7700 -14.7700 -14.7692 -14.7692 -1.7129 -1.7129 -1.5669 -1.5669 -0.9775 -0.9775 -0.8287 -0.8287 2.9377 2.9377 3.1816 3.1816 4.7608 4.7608 4.9052 4.9052 5.4898 5.4898 5.6124 5.6124 7.9449 7.9449 9.1345 9.1345 9.4566 9.4566 9.6171 9.6171 k = 0.5000-0.8849-1.3718 ( 4908 PWs) bands (ev): -33.8361 -33.8361 -33.8360 -33.8360 -15.1525 -15.1525 -15.1518 -15.1518 -14.7847 -14.7847 -14.7839 -14.7839 -14.7716 -14.7716 -14.7709 -14.7709 -1.6527 -1.6527 -1.5067 -1.5067 -1.0307 -1.0307 -0.8824 -0.8824 2.8956 2.8956 3.1413 3.1413 4.7998 4.7998 4.9419 4.9419 5.4530 5.4530 5.5864 5.5864 7.9418 7.9418 9.0963 9.0963 9.4576 9.4576 9.6259 9.6259 k = 0.5000-0.8680-1.4004 ( 4910 PWs) bands (ev): -33.8361 -33.8361 -33.8360 -33.8360 -15.1525 -15.1525 -15.1519 -15.1519 -14.7835 -14.7835 -14.7828 -14.7828 -14.7731 -14.7731 -14.7725 -14.7725 -1.5899 -1.5899 -1.4437 -1.4437 -1.0882 -1.0882 -0.9403 -0.9403 2.8613 2.8613 3.1088 3.1088 4.8407 4.8407 4.9754 4.9754 5.4187 5.4187 5.5567 5.5567 7.9403 7.9403 9.0612 9.0612 9.4581 9.4581 9.6345 9.6345 k = 0.5000-0.8511-1.4290 ( 4918 PWs) bands (ev): -33.8360 -33.8360 -33.8359 -33.8359 -15.1526 -15.1526 -15.1520 -15.1520 -14.7824 -14.7824 -14.7816 -14.7816 -14.7746 -14.7746 -14.7740 -14.7740 -1.5244 -1.5244 -1.3782 -1.3782 -1.1500 -1.1500 -1.0024 -1.0024 2.8351 2.8351 3.0843 3.0843 4.8832 4.8832 5.0023 5.0023 5.3901 5.3901 5.5234 5.5234 7.9412 7.9412 9.0299 9.0299 9.4581 9.4581 9.6419 9.6419 k = 0.5000-0.8342-1.4575 ( 4910 PWs) bands (ev): -33.8360 -33.8360 -33.8359 -33.8359 -15.1526 -15.1526 -15.1520 -15.1520 -14.7812 -14.7812 -14.7804 -14.7804 -14.7760 -14.7760 -14.7754 -14.7754 -1.4564 -1.4564 -1.3104 -1.3104 -1.2155 -1.2155 -1.0682 -1.0682 2.8168 2.8168 3.0676 3.0676 4.9268 4.9268 5.0179 5.0179 5.3721 5.3721 5.4870 5.4870 7.9449 7.9449 9.0028 9.0028 9.4577 9.4577 9.6469 9.6469 k = 0.5000-0.8173-1.4861 ( 4908 PWs) bands (ev): -33.8360 -33.8360 -33.8359 -33.8359 -15.1526 -15.1526 -15.1521 -15.1521 -14.7803 -14.7803 -14.7792 -14.7792 -14.7773 -14.7773 -14.7765 -14.7765 -1.3861 -1.3861 -1.2865 -1.2865 -1.2385 -1.2385 -1.1373 -1.1373 2.8064 2.8064 3.0586 3.0586 4.9709 4.9709 5.0172 5.0172 5.3692 5.3692 5.4481 5.4481 7.9520 7.9520 8.9801 8.9801 9.4568 9.4568 9.6485 9.6485 k = 0.5000-0.8004-1.5147 ( 4914 PWs) bands (ev): -33.8360 -33.8360 -33.8359 -33.8359 -15.1526 -15.1526 -15.1521 -15.1521 -14.7802 -14.7802 -14.7787 -14.7787 -14.7778 -14.7778 -14.7767 -14.7767 -1.3614 -1.3614 -1.3105 -1.3105 -1.2137 -1.2137 -1.1626 -1.1626 2.8036 2.8036 3.0573 3.0573 4.9963 4.9963 5.0166 5.0166 5.3809 5.3809 5.4103 5.4103 7.9628 7.9628 8.9620 8.9620 9.4554 9.4554 9.6456 9.6456 k = 0.5000-0.7835-1.5432 ( 4916 PWs) bands (ev): -33.8360 -33.8360 -33.8359 -33.8359 -15.1526 -15.1526 -15.1521 -15.1521 -14.7808 -14.7808 -14.7798 -14.7798 -14.7766 -14.7766 -14.7759 -14.7759 -1.4367 -1.4367 -1.2885 -1.2885 -1.2357 -1.2357 -1.0883 -1.0883 2.8083 2.8083 3.0634 3.0634 4.9631 4.9631 5.0567 5.0567 5.3638 5.3638 5.4164 5.4164 7.9775 7.9775 8.9487 8.9487 9.4535 9.4535 9.6377 9.6377 k = 0.8251-0.7212-1.4299 ( 4916 PWs) bands (ev): -33.8360 -33.8360 -33.8359 -33.8359 -15.1526 -15.1526 -15.1521 -15.1521 -14.7808 -14.7808 -14.7798 -14.7798 -14.7766 -14.7766 -14.7759 -14.7759 -1.4367 -1.4367 -1.2885 -1.2885 -1.2357 -1.2357 -1.0883 -1.0883 2.8083 2.8083 3.0634 3.0634 4.9631 4.9631 5.0567 5.0567 5.3638 5.3638 5.4164 5.4164 7.9775 7.9775 8.9487 8.9487 9.4535 9.4535 9.6377 9.6377 k = 0.8188-0.7055-1.4013 ( 4924 PWs) bands (ev): -33.8360 -33.8360 -33.8360 -33.8360 -15.1525 -15.1525 -15.1521 -15.1521 -14.7818 -14.7818 -14.7810 -14.7810 -14.7752 -14.7752 -14.7748 -14.7748 -1.5161 -1.5161 -1.3672 -1.3672 -1.1575 -1.1575 -1.0100 -1.0100 2.8201 2.8201 3.0767 3.0767 4.9180 4.9180 5.0895 5.0895 5.3316 5.3316 5.4540 5.4540 7.9963 7.9963 8.9403 8.9403 9.4510 9.4510 9.6244 9.6244 k = 0.8126-0.6897-1.3727 ( 4926 PWs) bands (ev): -33.8361 -33.8361 -33.8360 -33.8360 -15.1524 -15.1524 -15.1520 -15.1520 -14.7828 -14.7828 -14.7821 -14.7821 -14.7739 -14.7739 -14.7735 -14.7735 -1.5980 -1.5980 -1.4486 -1.4486 -1.0767 -1.0767 -0.9291 -0.9291 2.8387 2.8387 3.0967 3.0967 4.8657 4.8657 5.1032 5.1032 5.3163 5.3163 5.4989 5.4989 8.0194 8.0194 8.9369 8.9369 9.4479 9.4479 9.6058 9.6058 k = 0.8063-0.6740-1.3441 ( 4924 PWs) bands (ev): -33.8361 -33.8361 -33.8360 -33.8360 -15.1523 -15.1523 -15.1519 -15.1519 -14.7837 -14.7837 -14.7830 -14.7830 -14.7725 -14.7725 -14.7721 -14.7721 -1.6822 -1.6822 -1.5321 -1.5321 -0.9934 -0.9934 -0.8457 -0.8457 2.8639 2.8639 3.1234 3.1234 4.8085 4.8085 5.0876 5.0876 5.3289 5.3289 5.5480 5.5480 8.0465 8.0465 8.9384 8.9384 9.4440 9.4440 9.5822 9.5822 k = 0.8001-0.6583-1.3155 ( 4920 PWs) bands (ev): -33.8362 -33.8362 -33.8361 -33.8361 -15.1521 -15.1521 -15.1517 -15.1517 -14.7845 -14.7845 -14.7839 -14.7839 -14.7711 -14.7711 -14.7707 -14.7707 -1.7682 -1.7682 -1.6174 -1.6174 -0.9078 -0.9078 -0.7599 -0.7599 2.8952 2.8952 3.1563 3.1563 4.7480 4.7480 5.0484 5.0484 5.3644 5.3644 5.5998 5.5998 8.0777 8.0777 8.9449 8.9449 9.4393 9.4393 9.5541 9.5541 k = 0.7938-0.6426-1.2869 ( 4924 PWs) bands (ev): -33.8362 -33.8362 -33.8362 -33.8362 -15.1519 -15.1519 -15.1515 -15.1515 -14.7852 -14.7852 -14.7847 -14.7847 -14.7697 -14.7697 -14.7693 -14.7693 -1.8556 -1.8556 -1.7040 -1.7040 -0.8199 -0.8199 -0.6718 -0.6718 2.9324 2.9324 3.1951 3.1951 4.6852 4.6852 4.9966 4.9966 5.4119 5.4119 5.6532 5.6532 8.1129 8.1129 8.9562 8.9562 9.4336 9.4336 9.5219 9.5219 k = 0.7876-0.6269-1.2584 ( 4924 PWs) bands (ev): -33.8363 -33.8363 -33.8363 -33.8363 -15.1516 -15.1516 -15.1513 -15.1513 -14.7858 -14.7858 -14.7853 -14.7853 -14.7682 -14.7682 -14.7678 -14.7678 -1.9441 -1.9441 -1.7917 -1.7917 -0.7298 -0.7298 -0.5814 -0.5814 2.9750 2.9750 3.2395 3.2395 4.6209 4.6209 4.9385 4.9385 5.4656 5.4656 5.7077 5.7077 8.1518 8.1518 8.9722 8.9722 9.4268 9.4268 9.4864 9.4864 k = 0.7813-0.6112-1.2298 ( 4926 PWs) bands (ev): -33.8364 -33.8364 -33.8363 -33.8363 -15.1513 -15.1513 -15.1510 -15.1510 -14.7864 -14.7864 -14.7859 -14.7859 -14.7668 -14.7668 -14.7664 -14.7664 -2.0334 -2.0334 -1.8802 -1.8802 -0.6375 -0.6375 -0.4889 -0.4889 3.0227 3.0227 3.2892 3.2892 4.5556 4.5556 4.8770 4.8770 5.5230 5.5230 5.7627 5.7627 8.1943 8.1943 8.9928 8.9928 9.4187 9.4187 9.4483 9.4483 k = 0.7751-0.5955-1.2012 ( 4922 PWs) bands (ev): -33.8365 -33.8365 -33.8365 -33.8365 -15.1509 -15.1509 -15.1506 -15.1506 -14.7868 -14.7868 -14.7863 -14.7863 -14.7653 -14.7653 -14.7649 -14.7649 -2.1232 -2.1232 -1.9691 -1.9691 -0.5432 -0.5432 -0.3943 -0.3943 3.0752 3.0752 3.3438 3.3438 4.4900 4.4900 4.8137 4.8137 5.5826 5.5826 5.8180 5.8180 8.2401 8.2401 9.0177 9.0177 9.4070 9.4070 9.4102 9.4102 k = 0.7688-0.5798-1.1726 ( 4920 PWs) bands (ev): -33.8366 -33.8366 -33.8366 -33.8366 -15.1505 -15.1505 -15.1501 -15.1501 -14.7871 -14.7871 -14.7866 -14.7866 -14.7638 -14.7638 -14.7633 -14.7633 -2.2132 -2.2132 -2.0582 -2.0582 -0.4470 -0.4470 -0.2976 -0.2976 3.1320 3.1320 3.4032 3.4032 4.4243 4.4243 4.7497 4.7497 5.6440 5.6440 5.8732 5.8732 8.2890 8.2890 9.0464 9.0464 9.3660 9.3660 9.3984 9.3984 k = 0.7626-0.5641-1.1440 ( 4926 PWs) bands (ev): -33.8368 -33.8368 -33.8367 -33.8367 -15.1501 -15.1501 -15.1497 -15.1497 -14.7874 -14.7874 -14.7868 -14.7868 -14.7623 -14.7623 -14.7618 -14.7618 -2.3032 -2.3032 -2.1472 -2.1472 -0.3489 -0.3489 -0.1992 -0.1992 3.1929 3.1929 3.4668 3.4668 4.3591 4.3591 4.6857 4.6857 5.7067 5.7067 5.9282 5.9282 8.3408 8.3408 9.0785 9.0785 9.3231 9.3231 9.3860 9.3860 k = 0.7563-0.5483-1.1154 ( 4924 PWs) bands (ev): -33.8369 -33.8369 -33.8369 -33.8369 -15.1495 -15.1495 -15.1491 -15.1491 -14.7875 -14.7875 -14.7869 -14.7869 -14.7608 -14.7608 -14.7602 -14.7602 -2.3928 -2.3928 -2.2360 -2.2360 -0.2492 -0.2492 -0.0989 -0.0989 3.2573 3.2573 3.5346 3.5346 4.2949 4.2949 4.6225 4.6225 5.7703 5.7703 5.9827 5.9827 8.3953 8.3953 9.1131 9.1131 9.2797 9.2797 9.3726 9.3726 k = 0.7501-0.5326-1.0868 ( 4924 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1490 -15.1490 -15.1485 -15.1485 -14.7875 -14.7875 -14.7869 -14.7869 -14.7593 -14.7593 -14.7587 -14.7587 -2.4819 -2.4819 -2.3242 -2.3242 -0.1479 -0.1479 0.0029 0.0029 3.3249 3.3249 3.6059 3.6059 4.2321 4.2321 4.5607 4.5607 5.8346 5.8346 6.0365 6.0365 8.4520 8.4520 9.1487 9.1487 9.2362 9.2362 9.3594 9.3594 k = 0.7438-0.5169-1.0582 ( 4926 PWs) bands (ev): -33.8373 -33.8373 -33.8372 -33.8372 -15.1483 -15.1483 -15.1478 -15.1478 -14.7874 -14.7874 -14.7868 -14.7868 -14.7578 -14.7578 -14.7571 -14.7571 -2.5704 -2.5704 -2.4117 -2.4117 -0.0454 -0.0454 0.1062 0.1062 3.3950 3.3950 3.6804 3.6804 4.1714 4.1714 4.5013 4.5013 5.8993 5.8993 6.0896 6.0896 8.5109 8.5109 9.1810 9.1810 9.1939 9.1939 9.3488 9.3488 k = 0.7376-0.5012-1.0297 ( 4920 PWs) bands (ev): -33.8375 -33.8375 -33.8374 -33.8374 -15.1476 -15.1476 -15.1471 -15.1471 -14.7872 -14.7872 -14.7865 -14.7865 -14.7562 -14.7562 -14.7555 -14.7555 -2.6579 -2.6579 -2.4983 -2.4983 0.0583 0.0583 0.2107 0.2107 3.4669 3.4669 3.7571 3.7571 4.1139 4.1139 4.4451 4.4451 5.9643 5.9643 6.1418 6.1418 8.5715 8.5715 9.1498 9.1498 9.2069 9.2069 9.3473 9.3473 k = 0.7313-0.4855-1.0011 ( 4926 PWs) bands (ev): -33.8377 -33.8377 -33.8376 -33.8376 -15.1469 -15.1469 -15.1463 -15.1463 -14.7870 -14.7870 -14.7862 -14.7862 -14.7546 -14.7546 -14.7539 -14.7539 -2.7443 -2.7443 -2.5839 -2.5839 0.1628 0.1628 0.3163 0.3163 3.5397 3.5397 3.8336 3.8336 4.0623 4.0623 4.3933 4.3933 6.0292 6.0292 6.1930 6.1930 8.6335 8.6335 9.1084 9.1084 9.2137 9.2137 9.3628 9.3628 k = 0.7250-0.4698-0.9725 ( 4926 PWs) bands (ev): -33.8379 -33.8379 -33.8379 -33.8379 -15.1461 -15.1461 -15.1455 -15.1455 -14.7866 -14.7866 -14.7858 -14.7858 -14.7530 -14.7530 -14.7523 -14.7523 -2.8296 -2.8296 -2.6683 -2.6683 0.2678 0.2678 0.4225 0.4225 3.6119 3.6119 3.8981 3.8981 4.0284 4.0284 4.3477 4.3477 6.0938 6.0938 6.2430 6.2430 8.6967 8.6967 9.0683 9.0683 9.2033 9.2033 9.3948 9.3948 k = 0.7188-0.4541-0.9439 ( 4928 PWs) bands (ev): -33.8381 -33.8381 -33.8381 -33.8381 -15.1453 -15.1453 -15.1446 -15.1446 -14.7862 -14.7862 -14.7853 -14.7853 -14.7514 -14.7514 -14.7506 -14.7506 -2.9134 -2.9134 -2.7514 -2.7514 0.3730 0.3730 0.5292 0.5292 3.6809 3.6809 3.9090 3.9090 4.0543 4.0543 4.3109 4.3109 6.1579 6.1579 6.2918 6.2918 8.7606 8.7606 9.0299 9.0299 9.1827 9.1827 9.4353 9.4353 k = 0.7125-0.4384-0.9153 ( 4926 PWs) bands (ev): -33.8384 -33.8384 -33.8383 -33.8383 -15.1444 -15.1444 -15.1437 -15.1437 -14.7857 -14.7857 -14.7848 -14.7848 -14.7497 -14.7497 -14.7490 -14.7490 -2.9959 -2.9959 -2.8330 -2.8330 0.4779 0.4779 0.6359 0.6359 3.7430 3.7430 3.8776 3.8776 4.1292 4.1292 4.2871 4.2871 6.2212 6.2212 6.3392 6.3392 8.8247 8.8247 8.9938 8.9938 9.1571 9.1571 9.4788 9.4788 k = 0.7063-0.4227-0.8867 ( 4926 PWs) bands (ev): -33.8386 -33.8386 -33.8386 -33.8386 -15.1434 -15.1434 -15.1427 -15.1427 -14.7851 -14.7851 -14.7841 -14.7841 -14.7480 -14.7480 -14.7473 -14.7473 -3.0767 -3.0767 -2.9130 -2.9130 0.5822 0.5822 0.7423 0.7423 3.7895 3.7895 3.8447 3.8447 4.2143 4.2143 4.2833 4.2833 6.2832 6.2832 6.3852 6.3852 8.8883 8.8883 8.9605 8.9605 9.1289 9.1289 9.5218 9.5218 k = 0.7000-0.4069-0.8581 ( 4926 PWs) bands (ev): -33.8389 -33.8389 -33.8388 -33.8388 -15.1425 -15.1425 -15.1417 -15.1417 -14.7845 -14.7845 -14.7834 -14.7834 -14.7463 -14.7463 -14.7456 -14.7456 -3.1558 -3.1558 -2.9913 -2.9913 0.6852 0.6852 0.8478 0.8478 3.7902 3.7902 3.8441 3.8441 4.2816 4.2816 4.3250 4.3250 6.3438 6.3438 6.4297 6.4297 8.9274 8.9274 8.9537 8.9537 9.0996 9.0996 9.5620 9.5620 k = 0.6938-0.3912-0.8295 ( 4924 PWs) bands (ev): -33.8391 -33.8391 -33.8391 -33.8391 -15.1414 -15.1414 -15.1406 -15.1406 -14.7838 -14.7838 -14.7827 -14.7827 -14.7446 -14.7446 -14.7438 -14.7438 -3.2331 -3.2331 -3.0679 -3.0679 0.7863 0.7863 0.9518 0.9518 3.7631 3.7631 3.8590 3.8590 4.3284 4.3284 4.4146 4.4146 6.4025 6.4025 6.4725 6.4725 8.9014 8.9014 9.0138 9.0138 9.0703 9.0703 9.5977 9.5977 k = 0.6875-0.3755-0.8010 ( 4920 PWs) bands (ev): -33.8394 -33.8394 -33.8394 -33.8394 -15.1404 -15.1404 -15.1396 -15.1396 -14.7830 -14.7830 -14.7819 -14.7819 -14.7429 -14.7429 -14.7421 -14.7421 -3.3086 -3.3086 -3.1426 -3.1426 0.8849 0.8849 1.0538 1.0538 3.7385 3.7385 3.8645 3.8645 4.3904 4.3904 4.5119 4.5119 6.4588 6.4588 6.5137 6.5137 8.8778 8.8778 9.0406 9.0406 9.0735 9.0735 9.6271 9.6271 k = 0.6813-0.3598-0.7724 ( 4918 PWs) bands (ev): -33.8397 -33.8397 -33.8397 -33.8397 -15.1393 -15.1393 -15.1385 -15.1385 -14.7822 -14.7822 -14.7810 -14.7810 -14.7411 -14.7411 -14.7403 -14.7403 -3.3821 -3.3821 -3.2154 -3.2154 0.9800 0.9800 1.1529 1.1529 3.7203 3.7203 3.8644 3.8644 4.4666 4.4666 4.6119 4.6119 6.5123 6.5123 6.5532 6.5532 8.8583 8.8583 9.0131 9.0131 9.1286 9.1286 9.6489 9.6489 k = 0.6750-0.3441-0.7438 ( 4914 PWs) bands (ev): -33.8400 -33.8400 -33.8400 -33.8400 -15.1383 -15.1383 -15.1373 -15.1373 -14.7813 -14.7813 -14.7801 -14.7801 -14.7392 -14.7392 -14.7385 -14.7385 -3.4535 -3.4535 -3.2862 -3.2862 1.0709 1.0709 1.2483 1.2483 3.7099 3.7099 3.8637 3.8637 4.5525 4.5525 4.7136 4.7136 6.5623 6.5623 6.5913 6.5913 8.8432 8.8432 8.9871 8.9871 9.1789 9.1789 9.6623 9.6623 k = 0.6688-0.3284-0.7152 ( 4910 PWs) bands (ev): -33.8403 -33.8403 -33.8403 -33.8403 -15.1372 -15.1372 -15.1362 -15.1362 -14.7805 -14.7805 -14.7792 -14.7792 -14.7374 -14.7374 -14.7366 -14.7366 -3.5229 -3.5229 -3.3550 -3.3550 1.1567 1.1567 1.3391 1.3391 3.7086 3.7086 3.8666 3.8666 4.6449 4.6449 4.8165 4.8165 6.6075 6.6075 6.6287 6.6287 8.8329 8.8329 8.9633 8.9633 9.2223 9.2223 9.6672 9.6672 k = 0.6625-0.3127-0.6866 ( 4908 PWs) bands (ev): -33.8406 -33.8406 -33.8406 -33.8406 -15.1361 -15.1361 -15.1351 -15.1351 -14.7796 -14.7796 -14.7783 -14.7783 -14.7355 -14.7355 -14.7348 -14.7348 -3.5902 -3.5902 -3.4216 -3.4216 1.2364 1.2364 1.4245 1.4245 3.7172 3.7172 3.8756 3.8756 4.7417 4.7417 4.9202 4.9202 6.6464 6.6464 6.6665 6.6665 8.8277 8.8277 8.9422 8.9422 9.2566 9.2566 9.6640 9.6640 k = 0.6563-0.2970-0.6580 ( 4912 PWs) bands (ev): -33.8409 -33.8409 -33.8409 -33.8409 -15.1350 -15.1350 -15.1340 -15.1340 -14.7787 -14.7787 -14.7773 -14.7773 -14.7336 -14.7336 -14.7329 -14.7329 -3.6552 -3.6552 -3.4861 -3.4861 1.3093 1.3093 1.5034 1.5034 3.7368 3.7368 3.8930 3.8930 4.8417 4.8417 5.0244 5.0244 6.6794 6.6794 6.7038 6.7038 8.8278 8.8278 8.9242 8.9242 9.2795 9.2795 9.6536 9.6536 k = 0.6500-0.2813-0.6294 ( 4912 PWs) bands (ev): -33.8412 -33.8412 -33.8412 -33.8412 -15.1339 -15.1339 -15.1329 -15.1329 -14.7778 -14.7778 -14.7764 -14.7764 -14.7317 -14.7317 -14.7309 -14.7309 -3.7180 -3.7180 -3.5483 -3.5483 1.3745 1.3745 1.5751 1.5751 3.7680 3.7680 3.9203 3.9203 4.9437 4.9437 5.1287 5.1287 6.7082 6.7082 6.7386 6.7386 8.8332 8.8332 8.9096 8.9096 9.2892 9.2892 9.6373 9.6373 k = 0.6438-0.2655-0.6008 ( 4906 PWs) bands (ev): -33.8415 -33.8415 -33.8415 -33.8415 -15.1328 -15.1328 -15.1318 -15.1318 -14.7768 -14.7768 -14.7755 -14.7755 -14.7297 -14.7297 -14.7290 -14.7290 -3.7786 -3.7786 -3.6082 -3.6082 1.4317 1.4317 1.6389 1.6389 3.8115 3.8115 3.9586 3.9586 5.0472 5.0472 5.2328 5.2328 6.7338 6.7338 6.7699 6.7699 8.8439 8.8439 8.8988 8.8988 9.2856 9.2856 9.6164 9.6164 k = 0.6375-0.2498-0.5723 ( 4910 PWs) bands (ev): -33.8418 -33.8418 -33.8418 -33.8418 -15.1318 -15.1318 -15.1307 -15.1307 -14.7759 -14.7759 -14.7745 -14.7745 -14.7278 -14.7278 -14.7271 -14.7271 -3.8367 -3.8367 -3.6659 -3.6659 1.4805 1.4805 1.6943 1.6943 3.8673 3.8673 4.0086 4.0086 5.1514 5.1514 5.3363 5.3363 6.7565 6.7565 6.7971 6.7971 8.8593 8.8593 8.8921 8.8921 9.2704 9.2704 9.5921 9.5921 k = 0.6313-0.2341-0.5437 ( 4902 PWs) bands (ev): -33.8421 -33.8421 -33.8421 -33.8421 -15.1307 -15.1307 -15.1296 -15.1296 -14.7750 -14.7750 -14.7736 -14.7736 -14.7258 -14.7258 -14.7251 -14.7251 -3.8925 -3.8925 -3.7212 -3.7212 1.5211 1.5211 1.7412 1.7412 3.9356 3.9356 4.0706 4.0706 5.2559 5.2559 5.4388 5.4388 6.7763 6.7763 6.8201 6.8201 8.8777 8.8777 8.8912 8.8912 9.2464 9.2464 9.5657 9.5657 k = 0.6250-0.2184-0.5151 ( 4898 PWs) bands (ev): -33.8424 -33.8424 -33.8424 -33.8424 -15.1297 -15.1297 -15.1286 -15.1286 -14.7741 -14.7741 -14.7727 -14.7727 -14.7238 -14.7238 -14.7231 -14.7231 -3.9459 -3.9459 -3.7741 -3.7741 1.5536 1.5536 1.7797 1.7797 4.0158 4.0158 4.1448 4.1448 5.3601 5.3601 5.5400 5.5400 6.7934 6.7934 6.8391 6.8391 8.8872 8.8872 8.9066 8.9066 9.2171 9.2171 9.5380 9.5380 k = 0.6188-0.2027-0.4865 ( 4894 PWs) bands (ev): -33.8427 -33.8427 -33.8427 -33.8427 -15.1287 -15.1287 -15.1276 -15.1276 -14.7733 -14.7733 -14.7719 -14.7719 -14.7218 -14.7218 -14.7211 -14.7211 -3.9969 -3.9969 -3.8246 -3.8246 1.5788 1.5788 1.8104 1.8104 4.1074 4.1074 4.2305 4.2305 5.4637 5.4637 5.6393 5.6393 6.8078 6.8078 6.8542 6.8542 8.8931 8.8931 8.9314 8.9314 9.1862 9.1862 9.5100 9.5100 k = 0.6125-0.1870-0.4579 ( 4886 PWs) bands (ev): -33.8430 -33.8430 -33.8430 -33.8430 -15.1278 -15.1278 -15.1266 -15.1266 -14.7724 -14.7724 -14.7710 -14.7710 -14.7198 -14.7198 -14.7192 -14.7192 -4.0454 -4.0454 -3.8727 -3.8727 1.5973 1.5973 1.8337 1.8337 4.2095 4.2095 4.3274 4.3274 5.5661 5.5661 5.7365 5.7365 6.8196 6.8196 6.8657 6.8657 8.9018 8.9018 8.9550 8.9550 9.1583 9.1583 9.4822 9.4822 k = 0.6063-0.1713-0.4293 ( 4892 PWs) bands (ev): -33.8433 -33.8433 -33.8432 -33.8432 -15.1269 -15.1269 -15.1257 -15.1257 -14.7717 -14.7717 -14.7702 -14.7702 -14.7179 -14.7179 -14.7173 -14.7173 -4.0914 -4.0914 -3.9183 -3.9183 1.6099 1.6099 1.8505 1.8505 4.3212 4.3212 4.4343 4.4343 5.6668 5.6668 5.8309 5.8309 6.8290 6.8290 6.8740 6.8740 8.9130 8.9130 8.9702 8.9702 9.1412 9.1412 9.4552 9.4552 k = 0.6000-0.1556-0.4007 ( 4894 PWs) bands (ev): -33.8435 -33.8435 -33.8435 -33.8435 -15.1260 -15.1260 -15.1249 -15.1249 -14.7709 -14.7709 -14.7695 -14.7695 -14.7160 -14.7160 -14.7154 -14.7154 -4.1349 -4.1349 -3.9614 -3.9614 1.6175 1.6175 1.8618 1.8618 4.4415 4.4415 4.5505 4.5505 5.7653 5.7653 5.9222 5.9222 6.8361 6.8361 6.8794 6.8794 8.9239 8.9239 8.9700 8.9700 9.1434 9.1434 9.4298 9.4298 k = 0.5938-0.1399-0.3721 ( 4882 PWs) bands (ev): -33.8438 -33.8438 -33.8438 -33.8438 -15.1252 -15.1252 -15.1240 -15.1240 -14.7702 -14.7702 -14.7687 -14.7687 -14.7140 -14.7140 -14.7135 -14.7135 -4.1759 -4.1759 -4.0020 -4.0020 1.6211 1.6211 1.8684 1.8684 4.5693 4.5693 4.6749 4.6749 5.8612 5.8612 6.0099 6.0099 6.8410 6.8410 6.8824 6.8824 8.9212 8.9212 8.9659 8.9659 9.1645 9.1645 9.4066 9.4066 k = 0.5875-0.1241-0.3436 ( 4884 PWs) bands (ev): -33.8440 -33.8440 -33.8440 -33.8440 -15.1244 -15.1244 -15.1233 -15.1233 -14.7695 -14.7695 -14.7681 -14.7681 -14.7122 -14.7122 -14.7116 -14.7116 -4.2143 -4.2143 -4.0401 -4.0401 1.6213 1.6213 1.8711 1.8711 4.7035 4.7035 4.8065 4.8065 5.9539 5.9539 6.0936 6.0936 6.8440 6.8440 6.8834 6.8834 8.8924 8.8924 8.9761 8.9761 9.1957 9.1957 9.3869 9.3869 k = 0.5813-0.1084-0.3150 ( 4884 PWs) bands (ev): -33.8443 -33.8443 -33.8443 -33.8443 -15.1237 -15.1237 -15.1225 -15.1225 -14.7689 -14.7689 -14.7674 -14.7674 -14.7104 -14.7104 -14.7099 -14.7099 -4.2501 -4.2501 -4.0756 -4.0756 1.6189 1.6189 1.8709 1.8709 4.8431 4.8431 4.9442 4.9442 6.0428 6.0428 6.1728 6.1728 6.8452 6.8452 6.8828 6.8828 8.8504 8.8504 8.9902 8.9902 9.2296 9.2296 9.3723 9.3723 k = 0.5750-0.0927-0.2864 ( 4890 PWs) bands (ev): -33.8445 -33.8445 -33.8445 -33.8445 -15.1230 -15.1230 -15.1219 -15.1219 -14.7683 -14.7683 -14.7669 -14.7669 -14.7088 -14.7088 -14.7082 -14.7082 -4.2834 -4.2834 -4.1086 -4.1086 1.6146 1.6146 1.8683 1.8683 4.9871 4.9871 5.0871 5.0871 6.1274 6.1274 6.2472 6.2472 6.8447 6.8447 6.8809 6.8809 8.8008 8.8008 9.0011 9.0011 9.2615 9.2615 9.3654 9.3654 k = 0.5688-0.0770-0.2578 ( 4896 PWs) bands (ev): -33.8447 -33.8447 -33.8447 -33.8447 -15.1224 -15.1224 -15.1212 -15.1212 -14.7678 -14.7678 -14.7664 -14.7664 -14.7072 -14.7072 -14.7066 -14.7066 -4.3140 -4.3140 -4.1389 -4.1389 1.6090 1.6090 1.8640 1.8640 5.1343 5.1343 5.2341 5.2341 6.2070 6.2070 6.3164 6.3164 6.8429 6.8429 6.8780 6.8780 8.7443 8.7443 9.0040 9.0040 9.2879 9.2879 9.3687 9.3687 k = 0.5625-0.0613-0.2292 ( 4894 PWs) bands (ev): -33.8449 -33.8449 -33.8449 -33.8449 -15.1218 -15.1218 -15.1207 -15.1207 -14.7673 -14.7673 -14.7659 -14.7659 -14.7056 -14.7056 -14.7051 -14.7051 -4.3420 -4.3420 -4.1667 -4.1667 1.6025 1.6025 1.8586 1.8586 5.2837 5.2837 5.3843 5.3843 6.2813 6.2813 6.3800 6.3800 6.8399 6.8399 6.8744 6.8744 8.6804 8.6804 8.9953 8.9953 9.3086 9.3086 9.3812 9.3812 k = 0.5563-0.0456-0.2006 ( 4884 PWs) bands (ev): -33.8451 -33.8451 -33.8451 -33.8451 -15.1213 -15.1213 -15.1201 -15.1201 -14.7668 -14.7668 -14.7654 -14.7654 -14.7042 -14.7042 -14.7036 -14.7036 -4.3674 -4.3674 -4.1919 -4.1919 1.5955 1.5955 1.8525 1.8525 5.4341 5.4341 5.5364 5.5364 6.3494 6.3494 6.4380 6.4380 6.8356 6.8356 6.8704 6.8704 8.6083 8.6083 8.9727 8.9727 9.3262 9.3262 9.3982 9.3982 k = 0.5500-0.0299-0.1720 ( 4886 PWs) bands (ev): -33.8453 -33.8453 -33.8452 -33.8452 -15.1208 -15.1208 -15.1196 -15.1196 -14.7664 -14.7664 -14.7650 -14.7650 -14.7029 -14.7029 -14.7023 -14.7023 -4.3901 -4.3901 -4.2144 -4.2144 1.5884 1.5884 1.8462 1.8462 5.5840 5.5840 5.6894 5.6894 6.4109 6.4109 6.4900 6.4900 6.8302 6.8302 6.8660 6.8660 8.5275 8.5275 8.9355 8.9355 9.3407 9.3408 9.4160 9.4160 k = 0.5438-0.0142-0.1434 ( 4880 PWs) bands (ev): -33.8454 -33.8454 -33.8454 -33.8454 -15.1204 -15.1204 -15.1192 -15.1192 -14.7661 -14.7661 -14.7646 -14.7646 -14.7017 -14.7017 -14.7012 -14.7012 -4.4102 -4.4102 -4.2343 -4.2343 1.5816 1.5816 1.8399 1.8399 5.7319 5.7319 5.8416 5.8416 6.4653 6.4653 6.5361 6.5361 6.8234 6.8234 6.8615 6.8615 8.4384 8.4384 8.8849 8.8849 9.3501 9.3501 9.4325 9.4325 k = 0.5375 0.0016-0.1149 ( 4874 PWs) bands (ev): -33.8455 -33.8455 -33.8455 -33.8455 -15.1200 -15.1200 -15.1189 -15.1189 -14.7658 -14.7658 -14.7643 -14.7643 -14.7007 -14.7007 -14.7001 -14.7001 -4.4276 -4.4276 -4.2516 -4.2516 1.5752 1.5752 1.8340 1.8340 5.8760 5.8760 5.9912 5.9912 6.5120 6.5120 6.5764 6.5764 6.8150 6.8150 6.8566 6.8566 8.3424 8.3424 8.8230 8.8230 9.3533 9.3533 9.4439 9.4439 k = 0.5313 0.0173-0.0863 ( 4874 PWs) bands (ev): -33.8456 -33.8456 -33.8456 -33.8456 -15.1197 -15.1197 -15.1186 -15.1186 -14.7655 -14.7655 -14.7641 -14.7641 -14.6998 -14.6998 -14.6993 -14.6993 -4.4424 -4.4424 -4.2662 -4.2662 1.5695 1.5695 1.8286 1.8286 6.0139 6.0139 6.1355 6.1355 6.5504 6.5504 6.6113 6.6113 6.8044 6.8044 6.8512 6.8512 8.2424 8.2424 8.7539 8.7539 9.3518 9.3518 9.4462 9.4462 k = 0.5250 0.0330-0.0577 ( 4868 PWs) bands (ev): -33.8457 -33.8457 -33.8457 -33.8457 -15.1195 -15.1195 -15.1183 -15.1183 -14.7653 -14.7653 -14.7638 -14.7638 -14.6991 -14.6991 -14.6985 -14.6985 -4.4545 -4.4545 -4.2782 -4.2782 1.5646 1.5646 1.8240 1.8240 6.1430 6.1430 6.2705 6.2705 6.5803 6.5803 6.6415 6.6415 6.7910 6.7910 6.8446 6.8446 8.1427 8.1427 8.6831 8.6831 9.3477 9.3477 9.4422 9.4422 k = 0.5188 0.0487-0.0291 ( 4862 PWs) bands (ev): -33.8458 -33.8458 -33.8458 -33.8458 -15.1193 -15.1193 -15.1181 -15.1181 -14.7651 -14.7651 -14.7637 -14.7637 -14.6985 -14.6985 -14.6979 -14.6979 -4.4639 -4.4639 -4.2875 -4.2875 1.5607 1.5607 1.8202 1.8202 6.2597 6.2597 6.3899 6.3899 6.6015 6.6015 6.6685 6.6685 6.7748 6.7748 6.8352 6.8352 8.0496 8.0496 8.6174 8.6174 9.3428 9.3428 9.4372 9.4372 k = 0.5125 0.0644-0.0005 ( 4860 PWs) bands (ev): -33.8458 -33.8458 -33.8458 -33.8458 -15.1192 -15.1192 -15.1179 -15.1179 -14.7650 -14.7650 -14.7635 -14.7635 -14.6981 -14.6981 -14.6975 -14.6975 -4.4706 -4.4706 -4.2941 -4.2941 1.5578 1.5578 1.8175 1.8175 6.3600 6.3600 6.4821 6.4821 6.6157 6.6157 6.6955 6.6955 6.7567 6.7567 6.8207 6.8207 7.9714 7.9714 8.5637 8.5637 9.3385 9.3385 9.4338 9.4338 k = 0.5063 0.0801 0.0281 ( 4864 PWs) bands (ev): -33.8459 -33.8459 -33.8459 -33.8459 -15.1191 -15.1191 -15.1179 -15.1179 -14.7649 -14.7649 -14.7635 -14.7635 -14.6978 -14.6978 -14.6972 -14.6972 -4.4746 -4.4746 -4.2981 -4.2981 1.5560 1.5560 1.8158 1.8158 6.4371 6.4371 6.5282 6.5282 6.6281 6.6281 6.7274 6.7274 6.7407 6.7407 6.7982 6.7982 7.9181 7.9181 8.5285 8.5285 9.3356 9.3356 9.4321 9.4321 k = 0.5000 0.0958 0.0567 ( 4854 PWs) bands (ev): -33.8459 -33.8459 -33.8459 -33.8459 -15.1191 -15.1191 -15.1178 -15.1178 -14.7649 -14.7649 -14.7634 -14.7634 -14.6977 -14.6977 -14.6971 -14.6971 -4.4759 -4.4759 -4.2995 -4.2995 1.5554 1.5554 1.8153 1.8153 6.4722 6.4722 6.5326 6.5326 6.6354 6.6354 6.7337 6.7337 6.7593 6.7593 6.7713 6.7713 7.8990 7.8990 8.5161 8.5161 9.3346 9.3346 9.4317 9.4317 k = 0.5000 0.0958 0.0567 ( 4854 PWs) bands (ev): -33.8459 -33.8459 -33.8459 -33.8459 -15.1191 -15.1191 -15.1178 -15.1178 -14.7649 -14.7649 -14.7634 -14.7634 -14.6977 -14.6977 -14.6971 -14.6971 -4.4759 -4.4759 -4.2995 -4.2995 1.5554 1.5554 1.8153 1.8153 6.4722 6.4722 6.5326 6.5326 6.6354 6.6354 6.7337 6.7337 6.7593 6.7593 6.7713 6.7713 7.8990 7.8990 8.5161 8.5161 9.3346 9.3346 9.4317 9.4317 k = 0.4688 0.0898 0.0531 ( 4854 PWs) bands (ev): -33.8459 -33.8459 -33.8459 -33.8459 -15.1191 -15.1191 -15.1177 -15.1177 -14.7650 -14.7650 -14.7633 -14.7633 -14.6977 -14.6977 -14.6971 -14.6971 -4.4770 -4.4770 -4.2983 -4.2983 1.5390 1.5390 1.8339 1.8339 6.4164 6.4164 6.5494 6.5494 6.6177 6.6177 6.7265 6.7265 6.7790 6.7790 6.8180 6.8180 7.8991 7.8991 8.5173 8.5173 9.3255 9.3255 9.4212 9.4212 k = 0.4375 0.0838 0.0496 ( 4857 PWs) bands (ev): -33.8459 -33.8459 -33.8459 -33.8459 -15.1193 -15.1193 -15.1175 -15.1175 -14.7652 -14.7652 -14.7631 -14.7631 -14.6977 -14.6977 -14.6972 -14.6972 -4.4801 -4.4801 -4.2948 -4.2948 1.4994 1.4994 1.8800 1.8800 6.3132 6.3132 6.5510 6.5510 6.6137 6.6137 6.7125 6.7125 6.7946 6.7946 6.9292 6.9292 7.8994 7.8994 8.5208 8.5208 9.3012 9.3012 9.3934 9.3934 k = 0.4062 0.0779 0.0460 ( 4857 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1196 -15.1196 -15.1173 -15.1173 -14.7656 -14.7656 -14.7628 -14.7628 -14.6977 -14.6977 -14.6972 -14.6972 -4.4849 -4.4849 -4.2894 -4.2894 1.4503 1.4503 1.9399 1.9399 6.1975 6.1975 6.5372 6.5372 6.6279 6.6279 6.6973 6.6973 6.8124 6.8124 7.0538 7.0538 7.8999 7.8999 8.5268 8.5268 9.2668 9.2668 9.3551 9.3551 k = 0.3750 0.0719 0.0425 ( 4857 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1198 -15.1198 -15.1170 -15.1170 -14.7659 -14.7659 -14.7624 -14.7624 -14.6977 -14.6977 -14.6972 -14.6972 -4.4909 -4.4909 -4.2825 -4.2825 1.3986 1.3986 2.0063 2.0063 6.0792 6.0792 6.5215 6.5215 6.6459 6.6459 6.6824 6.6824 6.8309 6.8309 7.1824 7.1824 7.9005 7.9005 8.5358 8.5358 9.2270 9.2270 9.3115 9.3115 k = 0.3438 0.0659 0.0390 ( 4854 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1201 -15.1201 -15.1168 -15.1168 -14.7662 -14.7662 -14.7621 -14.7621 -14.6977 -14.6977 -14.6972 -14.6972 -4.4978 -4.4978 -4.2746 -4.2746 1.3477 1.3477 2.0757 2.0757 5.9623 5.9623 6.5066 6.5066 6.6642 6.6642 6.6681 6.6681 6.8496 6.8496 7.3114 7.3114 7.9013 7.9013 8.5483 8.5483 9.1849 9.1849 9.2660 9.2660 k = 0.3125 0.0599 0.0354 ( 4842 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1203 -15.1203 -15.1165 -15.1165 -14.7665 -14.7665 -14.7617 -14.7617 -14.6976 -14.6976 -14.6972 -14.6972 -4.5050 -4.5050 -4.2661 -4.2661 1.2990 1.2990 2.1461 2.1461 5.8487 5.8487 6.4928 6.4928 6.6548 6.6548 6.6821 6.6821 6.8680 6.8680 7.4383 7.4383 7.9022 7.9022 8.5653 8.5653 9.1427 9.1427 9.2205 9.2205 k = 0.2812 0.0539 0.0319 ( 4854 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1206 -15.1206 -15.1162 -15.1162 -14.7669 -14.7669 -14.7614 -14.7614 -14.6976 -14.6976 -14.6972 -14.6972 -4.5124 -4.5124 -4.2575 -4.2575 1.2534 1.2534 2.2159 2.2159 5.7398 5.7398 6.4803 6.4803 6.6424 6.6424 6.6993 6.6993 6.8858 6.8858 7.5609 7.5609 7.9032 7.9032 8.5879 8.5879 9.1016 9.1016 9.1764 9.1764 k = 0.2500 0.0479 0.0283 ( 4854 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1209 -15.1209 -15.1160 -15.1160 -14.7672 -14.7672 -14.7611 -14.7611 -14.6976 -14.6976 -14.6973 -14.6973 -4.5195 -4.5195 -4.2490 -4.2490 1.2116 1.2116 2.2840 2.2840 5.6369 5.6369 6.4690 6.4690 6.6313 6.6313 6.7156 6.7156 6.9029 6.9029 7.6765 7.6765 7.9044 7.9044 8.6178 8.6178 9.0628 9.0628 9.1348 9.1348 k = 0.2188 0.0419 0.0248 ( 4860 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1211 -15.1211 -15.1158 -15.1158 -14.7674 -14.7674 -14.7608 -14.7608 -14.6976 -14.6976 -14.6973 -14.6973 -4.5263 -4.5263 -4.2409 -4.2409 1.1739 1.1739 2.3489 2.3489 5.5413 5.5413 6.4589 6.4589 6.6212 6.6212 6.7307 6.7307 6.9189 6.9189 7.7822 7.7822 7.9059 7.9059 8.6571 8.6571 9.0272 9.0272 9.0964 9.0964 k = 0.1875 0.0359 0.0213 ( 4860 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1213 -15.1213 -15.1156 -15.1156 -14.7677 -14.7677 -14.7606 -14.7606 -14.6976 -14.6976 -14.6973 -14.6973 -4.5324 -4.5324 -4.2334 -4.2334 1.1408 1.1408 2.4095 2.4095 5.4542 5.4542 6.4502 6.4502 6.6125 6.6125 6.7444 6.7444 6.9334 6.9334 7.8727 7.8727 7.9098 7.9098 8.7078 8.7078 8.9953 8.9954 9.0618 9.0618 k = 0.1562 0.0299 0.0177 ( 4860 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1215 -15.1215 -15.1154 -15.1154 -14.7679 -14.7679 -14.7604 -14.7604 -14.6976 -14.6976 -14.6973 -14.6973 -4.5378 -4.5378 -4.2268 -4.2268 1.1123 1.1123 2.4643 2.4643 5.3770 5.3770 6.4428 6.4428 6.6050 6.6050 6.7565 6.7565 6.9463 6.9463 7.9039 7.9039 7.9578 7.9578 8.7708 8.7708 8.9683 8.9683 9.0316 9.0316 k = 0.1250 0.0240 0.0142 ( 4860 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1216 -15.1216 -15.1153 -15.1153 -14.7680 -14.7680 -14.7603 -14.7603 -14.6976 -14.6976 -14.6973 -14.6973 -4.5424 -4.5424 -4.2212 -4.2212 1.0887 1.0887 2.5119 2.5119 5.3112 5.3112 6.4366 6.4366 6.5988 6.5988 6.7667 6.7667 6.9573 6.9573 7.9061 7.9061 8.0183 8.0183 8.8437 8.8437 8.9487 8.9487 9.0063 9.0063 k = 0.0938 0.0180 0.0106 ( 4850 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1217 -15.1217 -15.1152 -15.1152 -14.7681 -14.7681 -14.7601 -14.7601 -14.6975 -14.6975 -14.6973 -14.6973 -4.5460 -4.5460 -4.2167 -4.2167 1.0703 1.0703 2.5508 2.5508 5.2581 5.2581 6.4319 6.4319 6.5940 6.5940 6.7749 6.7749 6.9661 6.9661 7.9070 7.9070 8.0636 8.0636 8.9007 8.9007 8.9596 8.9596 8.9862 8.9862 k = 0.0625 0.0120 0.0071 ( 4838 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1217 -15.1217 -15.1151 -15.1151 -14.7682 -14.7682 -14.7600 -14.7600 -14.6974 -14.6974 -14.6973 -14.6973 -4.5486 -4.5486 -4.2134 -4.2134 1.0570 1.0570 2.5797 2.5797 5.2191 5.2191 6.4285 6.4285 6.5906 6.5906 6.7809 6.7809 6.9725 6.9725 7.9076 7.9076 8.0943 8.0943 8.9015 8.9015 8.9716 8.9716 9.0347 9.0347 k = 0.0312 0.0060 0.0035 ( 4832 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1218 -15.1218 -15.1150 -15.1150 -14.7682 -14.7682 -14.7599 -14.7599 -14.6974 -14.6974 -14.6973 -14.6973 -4.5502 -4.5502 -4.2114 -4.2114 1.0490 1.0490 2.5976 2.5976 5.1952 5.1952 6.4264 6.4264 6.5885 6.5885 6.7845 6.7845 6.9765 6.9765 7.9080 7.9080 8.1120 8.1120 8.8957 8.8957 8.9627 8.9627 9.1098 9.1098 k = 0.0000 0.0000 0.0000 ( 4823 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1218 -15.1218 -15.1150 -15.1150 -14.7682 -14.7682 -14.7598 -14.7598 -14.6974 -14.6974 -14.6973 -14.6973 -4.5508 -4.5508 -4.2107 -4.2107 1.0463 1.0463 2.6036 2.6036 5.1871 5.1871 6.4257 6.4257 6.5878 6.5878 6.7857 6.7857 6.9778 6.9778 7.9081 7.9081 8.1177 8.1177 8.8934 8.8934 8.9598 8.9598 9.1435 9.1435 k = 0.0000 0.0000 0.0000 ( 4823 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1218 -15.1218 -15.1150 -15.1150 -14.7682 -14.7682 -14.7598 -14.7598 -14.6974 -14.6974 -14.6973 -14.6973 -4.5508 -4.5508 -4.2107 -4.2107 1.0463 1.0463 2.6036 2.6036 5.1871 5.1871 6.4257 6.4257 6.5878 6.5878 6.7857 6.7857 6.9778 6.9778 7.9081 7.9081 8.1177 8.1177 8.8934 8.8934 8.9598 8.9598 9.1435 9.1435 k = 0.0062-0.0157-0.0286 ( 4829 PWs) bands (ev): -33.8459 -33.8459 -33.8458 -33.8458 -15.1218 -15.1218 -15.1150 -15.1150 -14.7683 -14.7683 -14.7599 -14.7599 -14.6975 -14.6975 -14.6974 -14.6974 -4.5494 -4.5494 -4.2095 -4.2095 1.0474 1.0474 2.6028 2.6028 5.1886 5.1886 6.4165 6.4165 6.5780 6.5780 6.7670 6.7670 6.9579 6.9579 7.9312 7.9312 8.1387 8.1387 8.8771 8.8771 8.9471 8.9471 9.1722 9.1722 k = 0.0125-0.0314-0.0572 ( 4835 PWs) bands (ev): -33.8459 -33.8459 -33.8457 -33.8457 -15.1219 -15.1219 -15.1152 -15.1152 -14.7684 -14.7684 -14.7600 -14.7600 -14.6978 -14.6978 -14.6977 -14.6977 -4.5452 -4.5452 -4.2057 -4.2057 1.0506 1.0506 2.6003 2.6003 5.1931 5.1931 6.3866 6.3866 6.5528 6.5528 6.7044 6.7044 6.9147 6.9147 7.9897 7.9897 8.1997 8.1997 8.8214 8.8214 8.9424 8.9424 9.2320 9.2320 k = 0.0187-0.0471-0.0857 ( 4853 PWs) bands (ev): -33.8458 -33.8458 -33.8457 -33.8457 -15.1221 -15.1221 -15.1153 -15.1153 -14.7685 -14.7685 -14.7601 -14.7601 -14.6982 -14.6982 -14.6981 -14.6981 -4.5382 -4.5382 -4.1994 -4.1994 1.0560 1.0560 2.5961 2.5961 5.2005 5.2005 6.3321 6.3321 6.5211 6.5211 6.5954 6.5954 6.8711 6.8711 8.0647 8.0647 8.2930 8.2930 8.7451 8.7451 8.9515 8.9515 9.2983 9.2983 k = 0.0250-0.0628-0.1143 ( 4863 PWs) bands (ev): -33.8458 -33.8458 -33.8456 -33.8456 -15.1222 -15.1222 -15.1156 -15.1156 -14.7687 -14.7687 -14.7603 -14.7603 -14.6988 -14.6988 -14.6987 -14.6987 -4.5285 -4.5285 -4.1905 -4.1905 1.0635 1.0635 2.5901 2.5901 5.2109 5.2109 6.2530 6.2530 6.4537 6.4537 6.4885 6.4885 6.8293 6.8293 8.1454 8.1454 8.4042 8.4042 8.6632 8.6632 8.9688 8.9688 9.3627 9.3627 k = 0.0312-0.0785-0.1429 ( 4874 PWs) bands (ev): -33.8457 -33.8457 -33.8456 -33.8456 -15.1225 -15.1225 -15.1159 -15.1159 -14.7689 -14.7689 -14.7606 -14.7606 -14.6996 -14.6996 -14.6995 -14.6995 -4.5159 -4.5159 -4.1791 -4.1791 1.0730 1.0730 2.5820 2.5820 5.2242 5.2242 6.1548 6.1548 6.2945 6.2945 6.4549 6.4549 6.7848 6.7848 8.2272 8.2272 8.5060 8.5060 8.5934 8.5934 8.9936 8.9936 9.4219 9.4219 k = 0.0375-0.0942-0.1715 ( 4874 PWs) bands (ev): -33.8456 -33.8456 -33.8454 -33.8454 -15.1227 -15.1227 -15.1162 -15.1162 -14.7691 -14.7691 -14.7608 -14.7608 -14.7004 -14.7004 -14.7004 -14.7004 -4.5006 -4.5006 -4.1652 -4.1652 1.0844 1.0844 2.5718 2.5718 5.2403 5.2403 6.0425 6.0425 6.1275 6.1275 6.4186 6.4186 6.7352 6.7352 8.3074 8.3074 8.4733 8.4733 8.6512 8.6512 9.0270 9.0270 9.4736 9.4736 k = 0.0437-0.1099-0.2000 ( 4874 PWs) bands (ev): -33.8455 -33.8455 -33.8453 -33.8453 -15.1230 -15.1230 -15.1166 -15.1166 -14.7694 -14.7694 -14.7612 -14.7612 -14.7015 -14.7015 -14.7014 -14.7014 -4.4826 -4.4826 -4.1488 -4.1488 1.0976 1.0976 2.5591 2.5591 5.2591 5.2591 5.9144 5.9144 5.9640 5.9640 6.3781 6.3781 6.6796 6.6796 8.3735 8.3735 8.4005 8.4005 8.7456 8.7456 9.0699 9.0699 9.5162 9.5162 k = 0.0500-0.1256-0.2286 ( 4878 PWs) bands (ev): -33.8453 -33.8453 -33.8452 -33.8452 -15.1234 -15.1234 -15.1171 -15.1171 -14.7697 -14.7697 -14.7615 -14.7615 -14.7026 -14.7026 -14.7026 -14.7026 -4.4617 -4.4617 -4.1298 -4.1298 1.1125 1.1125 2.5436 2.5436 5.2805 5.2805 5.7570 5.7570 5.8243 5.8243 6.3325 6.3325 6.6179 6.6179 8.2997 8.2997 8.4602 8.4602 8.8248 8.8248 9.1223 9.1223 9.5486 9.5486 k = 0.0562-0.1414-0.2572 ( 4878 PWs) bands (ev): -33.8451 -33.8451 -33.8450 -33.8450 -15.1238 -15.1238 -15.1176 -15.1176 -14.7701 -14.7701 -14.7620 -14.7620 -14.7039 -14.7039 -14.7039 -14.7039 -4.4381 -4.4381 -4.1084 -4.1084 1.1290 1.1290 2.5250 2.5250 5.3040 5.3040 5.5842 5.5842 5.6991 5.6991 6.2813 6.2813 6.5504 6.5504 8.2129 8.2129 8.5277 8.5277 8.8869 8.8869 9.1814 9.1814 9.5704 9.5704 k = 0.0625-0.1571-0.2858 ( 4880 PWs) bands (ev): -33.8450 -33.8450 -33.8448 -33.8448 -15.1243 -15.1243 -15.1182 -15.1182 -14.7705 -14.7705 -14.7625 -14.7625 -14.7053 -14.7053 -14.7053 -14.7053 -4.4118 -4.4118 -4.0844 -4.0844 1.1467 1.1467 2.5029 2.5029 5.3286 5.3286 5.4096 5.4096 5.5792 5.5792 6.2242 6.2242 6.4776 6.4776 8.1262 8.1262 8.5908 8.5908 8.9357 8.9357 9.2425 9.2425 9.5828 9.5828 k = 0.0687-0.1728-0.3144 ( 4884 PWs) bands (ev): -33.8448 -33.8448 -33.8446 -33.8446 -15.1248 -15.1248 -15.1188 -15.1188 -14.7710 -14.7710 -14.7630 -14.7630 -14.7069 -14.7069 -14.7068 -14.7068 -4.3828 -4.3828 -4.0580 -4.0580 1.1656 1.1656 2.4769 2.4769 5.2346 5.2346 5.3514 5.3514 5.4683 5.4683 6.1611 6.1611 6.3999 6.3999 8.0401 8.0401 8.6497 8.6497 8.9752 8.9752 9.3021 9.3021 9.5875 9.5875 k = 0.0750-0.1885-0.3429 ( 4890 PWs) bands (ev): -33.8446 -33.8446 -33.8444 -33.8444 -15.1254 -15.1254 -15.1195 -15.1195 -14.7715 -14.7715 -14.7636 -14.7636 -14.7085 -14.7085 -14.7084 -14.7084 -4.3511 -4.3511 -4.0290 -4.0290 1.1852 1.1852 2.4465 2.4465 5.0633 5.0633 5.3226 5.3226 5.4145 5.4145 6.0921 6.0921 6.3179 6.3179 7.9547 7.9547 8.7050 8.7050 9.0084 9.0084 9.3582 9.3582 9.5866 9.5866 k = 0.0812-0.2042-0.3715 ( 4900 PWs) bands (ev): -33.8443 -33.8443 -33.8442 -33.8442 -15.1260 -15.1260 -15.1203 -15.1203 -14.7721 -14.7721 -14.7643 -14.7643 -14.7102 -14.7102 -14.7101 -14.7101 -4.3166 -4.3166 -3.9976 -3.9976 1.2052 1.2052 2.4112 2.4112 4.8950 4.8950 5.2261 5.2261 5.4360 5.4360 6.0175 6.0175 6.2324 6.2324 7.8700 7.8700 8.7577 8.7577 9.0368 9.0368 9.4100 9.4100 9.5817 9.5817 k = 0.0875-0.2199-0.4001 ( 4896 PWs) bands (ev): -33.8441 -33.8441 -33.8440 -33.8440 -15.1267 -15.1267 -15.1211 -15.1211 -14.7727 -14.7727 -14.7649 -14.7649 -14.7120 -14.7120 -14.7119 -14.7119 -4.2795 -4.2795 -3.9637 -3.9637 1.2253 1.2253 2.3708 2.3708 4.7308 4.7308 5.1266 5.1266 5.4682 5.4682 5.9377 5.9377 6.1438 6.1438 7.7861 7.7861 8.8085 8.8085 9.0609 9.0609 9.4568 9.4568 9.5738 9.5738 k = 0.0937-0.2356-0.4287 ( 4896 PWs) bands (ev): -33.8438 -33.8438 -33.8437 -33.8437 -15.1274 -15.1274 -15.1219 -15.1219 -14.7733 -14.7733 -14.7656 -14.7656 -14.7138 -14.7138 -14.7137 -14.7137 -4.2397 -4.2397 -3.9274 -3.9274 1.2448 1.2448 2.3247 2.3247 4.5714 4.5714 5.0329 5.0329 5.5025 5.5025 5.8536 5.8536 6.0530 6.0530 7.7029 7.7029 8.8581 8.8581 9.0809 9.0809 9.4972 9.4972 9.5642 9.5642 k = 0.1000-0.2513-0.4573 ( 4898 PWs) bands (ev): -33.8436 -33.8436 -33.8435 -33.8435 -15.1281 -15.1281 -15.1228 -15.1228 -14.7739 -14.7739 -14.7664 -14.7664 -14.7157 -14.7157 -14.7156 -14.7156 -4.1973 -4.1973 -3.8887 -3.8887 1.2632 1.2632 2.2727 2.2727 4.4175 4.4175 4.9465 4.9465 5.5355 5.5355 5.7670 5.7670 5.9609 5.9609 7.6201 7.6201 8.9071 8.9071 9.0964 9.0964 9.5226 9.5226 9.5602 9.5602 k = 0.1062-0.2670-0.4858 ( 4900 PWs) bands (ev): -33.8433 -33.8433 -33.8432 -33.8432 -15.1289 -15.1289 -15.1238 -15.1238 -14.7746 -14.7746 -14.7673 -14.7673 -14.7176 -14.7176 -14.7175 -14.7175 -4.1523 -4.1523 -3.8475 -3.8475 1.2798 1.2798 2.2147 2.2147 4.2701 4.2701 4.8682 4.8682 5.5580 5.5580 5.6853 5.6853 5.8700 5.8700 7.5379 7.5379 8.9560 8.9560 9.1070 9.1070 9.5151 9.5151 9.5774 9.5774 k = 0.1125-0.2827-0.5144 ( 4904 PWs) bands (ev): -33.8430 -33.8430 -33.8429 -33.8429 -15.1297 -15.1297 -15.1248 -15.1248 -14.7753 -14.7753 -14.7681 -14.7681 -14.7196 -14.7196 -14.7194 -14.7194 -4.1047 -4.1047 -3.8039 -3.8039 1.2937 1.2937 2.1506 2.1506 4.1300 4.1300 4.7984 4.7984 5.5311 5.5311 5.6392 5.6392 5.7890 5.7890 7.4559 7.4559 9.0050 9.0050 9.1118 9.1118 9.4908 9.4908 9.5979 9.5979 k = 0.1187-0.2984-0.5430 ( 4904 PWs) bands (ev): -33.8428 -33.8428 -33.8426 -33.8426 -15.1306 -15.1306 -15.1258 -15.1258 -14.7761 -14.7761 -14.7690 -14.7690 -14.7216 -14.7216 -14.7214 -14.7214 -4.0546 -4.0546 -3.7579 -3.7579 1.3039 1.3039 2.0804 2.0804 3.9982 3.9982 4.7374 4.7374 5.4475 5.4475 5.6041 5.6041 5.7505 5.7505 7.3743 7.3743 9.0541 9.0541 9.1106 9.1106 9.4571 9.4571 9.6129 9.6129 k = 0.1250-0.3141-0.5716 ( 4906 PWs) bands (ev): -33.8425 -33.8425 -33.8423 -33.8423 -15.1315 -15.1315 -15.1269 -15.1269 -14.7769 -14.7769 -14.7700 -14.7700 -14.7235 -14.7235 -14.7233 -14.7233 -4.0019 -4.0019 -3.7095 -3.7095 1.3093 1.3093 2.0046 2.0046 3.8758 3.8758 4.6851 4.6851 5.3490 5.3490 5.5258 5.5258 5.7671 5.7671 7.2930 7.2930 9.0936 9.0936 9.1124 9.1124 9.4147 9.4147 9.6223 9.6223 k = 0.1312-0.3298-0.6001 ( 4914 PWs) bands (ev): -33.8422 -33.8422 -33.8420 -33.8420 -15.1324 -15.1324 -15.1280 -15.1280 -14.7777 -14.7777 -14.7710 -14.7710 -14.7255 -14.7255 -14.7253 -14.7253 -3.9467 -3.9467 -3.6589 -3.6589 1.3087 1.3087 1.9234 1.9234 3.7642 3.7642 4.6413 4.6413 5.2460 5.2460 5.4303 5.4303 5.8032 5.8032 7.2119 7.2119 9.0819 9.0819 9.1584 9.1584 9.3644 9.3644 9.6282 9.6282 k = 0.1375-0.3455-0.6287 ( 4910 PWs) bands (ev): -33.8419 -33.8419 -33.8417 -33.8417 -15.1334 -15.1334 -15.1291 -15.1291 -14.7785 -14.7785 -14.7720 -14.7720 -14.7275 -14.7275 -14.7273 -14.7273 -3.8891 -3.8891 -3.6059 -3.6059 1.3008 1.3008 1.8373 1.8373 3.6644 3.6644 4.6057 4.6057 5.1408 5.1408 5.3296 5.3296 5.8449 5.8449 7.1310 7.1310 9.0580 9.0580 9.2098 9.2098 9.3080 9.3080 9.6327 9.6327 k = 0.1437-0.3612-0.6573 ( 4916 PWs) bands (ev): -33.8416 -33.8416 -33.8414 -33.8414 -15.1344 -15.1344 -15.1303 -15.1303 -14.7793 -14.7793 -14.7730 -14.7730 -14.7295 -14.7295 -14.7292 -14.7292 -3.8290 -3.8290 -3.5506 -3.5506 1.2842 1.2842 1.7471 1.7471 3.5777 3.5777 4.5779 4.5779 5.0343 5.0343 5.2267 5.2267 5.8884 5.8884 7.0505 7.0505 9.0269 9.0269 9.2396 9.2396 9.2700 9.2700 9.6372 9.6372 k = 0.1500-0.3769-0.6859 ( 4920 PWs) bands (ev): -33.8413 -33.8413 -33.8411 -33.8411 -15.1354 -15.1354 -15.1315 -15.1315 -14.7801 -14.7801 -14.7740 -14.7740 -14.7315 -14.7315 -14.7312 -14.7312 -3.7666 -3.7666 -3.4930 -3.4930 1.2577 1.2577 1.6534 1.6534 3.5051 3.5051 4.5573 4.5573 4.9273 4.9273 5.1227 5.1227 5.9323 5.9323 6.9702 6.9702 8.9896 8.9896 9.1798 9.1798 9.3202 9.3202 9.6424 9.6424 k = 0.1562-0.3927-0.7145 ( 4918 PWs) bands (ev): -33.8410 -33.8410 -33.8408 -33.8408 -15.1364 -15.1364 -15.1326 -15.1326 -14.7809 -14.7809 -14.7751 -14.7751 -14.7334 -14.7334 -14.7330 -14.7330 -3.7018 -3.7018 -3.4333 -3.4333 1.2206 1.2206 1.5569 1.5569 3.4474 3.4474 4.5433 4.5433 4.8203 4.8203 5.0184 5.0184 5.9754 5.9754 6.8904 6.8904 8.9473 8.9473 9.1156 9.1156 9.3755 9.3755 9.6483 9.6483 k = 0.1625-0.4084-0.7430 ( 4914 PWs) bands (ev): -33.8406 -33.8406 -33.8405 -33.8405 -15.1374 -15.1374 -15.1338 -15.1338 -14.7818 -14.7818 -14.7761 -14.7761 -14.7353 -14.7353 -14.7349 -14.7349 -3.6347 -3.6347 -3.3713 -3.3713 1.1722 1.1722 1.4584 1.4584 3.4050 3.4050 4.5350 4.5350 4.7140 4.7140 4.9143 4.9143 6.0171 6.0171 6.8109 6.8109 8.9012 8.9012 9.0522 9.0522 9.4318 9.4318 9.6549 9.6549 k = 0.1687-0.4241-0.7716 ( 4910 PWs) bands (ev): -33.8403 -33.8403 -33.8402 -33.8402 -15.1384 -15.1384 -15.1350 -15.1350 -14.7825 -14.7825 -14.7771 -14.7771 -14.7372 -14.7372 -14.7367 -14.7367 -3.5654 -3.5654 -3.3073 -3.3073 1.1125 1.1125 1.3586 1.3586 3.3776 3.3776 4.5295 4.5295 4.6109 4.6109 4.8108 4.8108 6.0565 6.0565 6.7320 6.7320 8.8522 8.8522 8.9915 8.9915 9.4886 9.4886 9.6617 9.6617 k = 0.1750-0.4398-0.8002 ( 4912 PWs) bands (ev): -33.8400 -33.8400 -33.8399 -33.8399 -15.1394 -15.1394 -15.1362 -15.1362 -14.7833 -14.7833 -14.7782 -14.7782 -14.7391 -14.7391 -14.7386 -14.7386 -3.4940 -3.4940 -3.2411 -3.2411 1.0422 1.0422 1.2578 1.2578 3.3648 3.3648 4.4894 4.4894 4.5477 4.5477 4.7090 4.7090 6.0929 6.0929 6.6537 6.6537 8.8011 8.8011 8.9346 8.9346 9.5448 9.5448 9.6690 9.6690 k = 0.1812-0.4555-0.8288 ( 4914 PWs) bands (ev): -33.8398 -33.8398 -33.8396 -33.8396 -15.1404 -15.1404 -15.1374 -15.1374 -14.7840 -14.7840 -14.7792 -14.7792 -14.7409 -14.7409 -14.7403 -14.7403 -3.4204 -3.4204 -3.1729 -3.1729 0.9622 0.9622 1.1564 1.1564 3.3656 3.3656 4.3912 4.3912 4.5432 4.5432 4.6134 4.6134 6.1255 6.1255 6.5761 6.5761 8.7487 8.7487 8.8829 8.8829 9.5972 9.5972 9.6794 9.6794 k = 0.1875-0.4712-0.8574 ( 4922 PWs) bands (ev): -33.8395 -33.8395 -33.8394 -33.8394 -15.1415 -15.1415 -15.1385 -15.1385 -14.7848 -14.7848 -14.7801 -14.7801 -14.7427 -14.7427 -14.7421 -14.7421 -3.3448 -3.3448 -3.1027 -3.1027 0.8743 0.8743 1.0543 1.0543 3.3789 3.3789 4.2891 4.2891 4.4928 4.4928 4.5745 4.5745 6.1536 6.1536 6.4993 6.4993 8.6955 8.6955 8.8373 8.8373 9.6343 9.6343 9.7033 9.7033 k = 0.1937-0.4869-0.8859 ( 4928 PWs) bands (ev): -33.8392 -33.8392 -33.8391 -33.8391 -15.1424 -15.1424 -15.1396 -15.1396 -14.7855 -14.7855 -14.7810 -14.7810 -14.7445 -14.7445 -14.7438 -14.7438 -3.2672 -3.2672 -3.0306 -3.0306 0.7801 0.7801 0.9515 0.9515 3.4033 3.4033 4.1880 4.1880 4.3985 4.3985 4.5857 4.5857 6.1763 6.1763 6.4235 6.4235 8.6421 8.6421 8.7987 8.7987 9.6471 9.6471 9.7488 9.7488 k = 0.2000-0.5026-0.9145 ( 4928 PWs) bands (ev): -33.8389 -33.8389 -33.8388 -33.8388 -15.1434 -15.1434 -15.1408 -15.1408 -14.7861 -14.7861 -14.7819 -14.7819 -14.7463 -14.7463 -14.7456 -14.7456 -3.1877 -3.1877 -2.9566 -2.9566 0.6813 0.6813 0.8477 0.8477 3.4375 3.4375 4.0885 4.0885 4.3020 4.3020 4.6047 4.6047 6.1925 6.1925 6.3491 6.3491 8.5889 8.5889 8.7680 8.7680 9.6471 9.6471 9.8031 9.8031 k = 0.2062-0.5183-0.9431 ( 4926 PWs) bands (ev): -33.8387 -33.8387 -33.8385 -33.8385 -15.1443 -15.1443 -15.1418 -15.1418 -14.7866 -14.7866 -14.7827 -14.7827 -14.7480 -14.7480 -14.7472 -14.7472 -3.1065 -3.1065 -2.8809 -2.8809 0.5795 0.5795 0.7431 0.7431 3.4803 3.4803 3.9909 3.9909 4.2067 4.2067 4.6276 4.6276 6.2000 6.2000 6.2782 6.2782 8.5361 8.5361 8.7458 8.7458 9.6408 9.6408 9.8577 9.8577 k = 0.2125-0.5340-0.9717 ( 4930 PWs) bands (ev): -33.8384 -33.8384 -33.8383 -33.8383 -15.1452 -15.1452 -15.1429 -15.1429 -14.7871 -14.7871 -14.7834 -14.7834 -14.7497 -14.7497 -14.7489 -14.7489 -3.0235 -3.0235 -2.8035 -2.8035 0.4757 0.4757 0.6378 0.6378 3.5304 3.5304 3.8957 3.8957 4.1134 4.1134 4.6538 4.6538 6.1810 6.1810 6.2279 6.2279 8.4841 8.4841 8.7323 8.7323 9.6297 9.6297 9.9079 9.9079 k = 0.2187-0.5497-1.0002 ( 4930 PWs) bands (ev): -33.8382 -33.8382 -33.8380 -33.8380 -15.1460 -15.1460 -15.1439 -15.1439 -14.7875 -14.7875 -14.7841 -14.7841 -14.7513 -14.7513 -14.7505 -14.7505 -2.9390 -2.9390 -2.7245 -2.7245 0.3709 0.3709 0.5320 0.5320 3.5864 3.5864 3.8034 3.8034 4.0225 4.0225 4.6827 4.6827 6.1192 6.1192 6.2145 6.2145 8.4332 8.4332 8.7280 8.7280 9.6143 9.6143 9.9484 9.9484 k = 0.2250-0.5654-1.0288 ( 4924 PWs) bands (ev): -33.8379 -33.8379 -33.8378 -33.8378 -15.1468 -15.1468 -15.1448 -15.1448 -14.7878 -14.7878 -14.7847 -14.7847 -14.7530 -14.7530 -14.7522 -14.7522 -2.8530 -2.8530 -2.6440 -2.6440 0.2657 0.2657 0.4261 0.4261 3.6444 3.6444 3.7171 3.7171 3.9343 3.9343 4.7139 4.7139 6.0498 6.0498 6.2028 6.2028 8.3836 8.3836 8.7326 8.7326 9.5948 9.5948 9.9732 9.9732 k = 0.2312-0.5811-1.0574 ( 4922 PWs) bands (ev): -33.8377 -33.8377 -33.8376 -33.8376 -15.1475 -15.1475 -15.1457 -15.1457 -14.7881 -14.7881 -14.7852 -14.7852 -14.7546 -14.7546 -14.7538 -14.7538 -2.7657 -2.7657 -2.5621 -2.5621 0.1607 0.1607 0.3203 0.3203 3.6193 3.6193 3.7207 3.7207 3.8496 3.8496 4.7472 4.7472 5.9801 5.9801 6.1857 6.1857 8.3355 8.3355 8.7459 8.7459 9.5712 9.5712 9.9808 9.9808 k = 0.2375-0.5968-1.0860 ( 4924 PWs) bands (ev): -33.8375 -33.8375 -33.8374 -33.8374 -15.1482 -15.1482 -15.1465 -15.1465 -14.7883 -14.7883 -14.7856 -14.7856 -14.7562 -14.7562 -14.7554 -14.7554 -2.6772 -2.6772 -2.4790 -2.4790 0.0562 0.0562 0.2151 0.2151 3.5373 3.5373 3.7574 3.7574 3.7990 3.7990 4.7822 4.7822 5.9112 5.9112 6.1625 6.1625 8.2891 8.2891 8.7674 8.7674 9.5437 9.5437 9.9756 9.9756 k = 0.2437-0.6125-1.1146 ( 4926 PWs) bands (ev): -33.8373 -33.8373 -33.8372 -33.8372 -15.1489 -15.1489 -15.1473 -15.1473 -14.7884 -14.7884 -14.7859 -14.7859 -14.7578 -14.7578 -14.7569 -14.7569 -2.5877 -2.5877 -2.3947 -2.3947 -0.0473 -0.0473 0.1107 0.1107 3.4566 3.4566 3.6841 3.6841 3.8669 3.8669 4.8188 4.8188 5.8432 5.8432 6.1336 6.1336 8.2447 8.2447 8.7963 8.7963 9.5127 9.5127 9.9628 9.9628 k = 0.2500-0.6282-1.1431 ( 4926 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1495 -15.1495 -15.1480 -15.1480 -14.7884 -14.7884 -14.7861 -14.7861 -14.7594 -14.7594 -14.7585 -14.7585 -2.4974 -2.4974 -2.3095 -2.3095 -0.1497 -0.1497 0.0074 0.0074 3.3791 3.3791 3.6087 3.6087 3.9434 3.9434 4.8567 4.8567 5.7764 5.7764 6.0994 6.0994 8.2025 8.2025 8.8319 8.8319 9.4785 9.4785 9.9459 9.9459 k = 0.2562-0.6440-1.1717 ( 4926 PWs) bands (ev): -33.8370 -33.8370 -33.8369 -33.8369 -15.1500 -15.1500 -15.1486 -15.1486 -14.7883 -14.7883 -14.7862 -14.7862 -14.7609 -14.7609 -14.7600 -14.7600 -2.4064 -2.4064 -2.2235 -2.2235 -0.2507 -0.2507 -0.0946 -0.0946 3.3052 3.3052 3.5367 3.5367 4.0227 4.0227 4.8956 4.8956 5.7107 5.7107 6.0606 6.0606 8.1626 8.1626 8.8732 8.8732 9.4416 9.4416 9.9266 9.9266 k = 0.2625-0.6597-1.2003 ( 4918 PWs) bands (ev): -33.8368 -33.8368 -33.8367 -33.8367 -15.1505 -15.1505 -15.1492 -15.1492 -14.7881 -14.7881 -14.7861 -14.7861 -14.7624 -14.7624 -14.7616 -14.7616 -2.3150 -2.3150 -2.1369 -2.1369 -0.3501 -0.3501 -0.1950 -0.1950 3.2351 3.2351 3.4686 3.4686 4.1039 4.1039 4.9354 4.9354 5.6463 5.6463 6.0177 6.0177 8.1254 8.1254 8.9191 8.9191 9.4024 9.4024 9.9061 9.9061 k = 0.2687-0.6754-1.2289 ( 4914 PWs) bands (ev): -33.8367 -33.8367 -33.8366 -33.8366 -15.1509 -15.1509 -15.1497 -15.1497 -14.7877 -14.7877 -14.7860 -14.7860 -14.7639 -14.7639 -14.7631 -14.7631 -2.2234 -2.2234 -2.0498 -2.0498 -0.4479 -0.4479 -0.2938 -0.2938 3.1692 3.1692 3.4046 3.4046 4.1865 4.1865 4.9757 4.9757 5.5832 5.5832 5.9715 5.9715 8.0910 8.0910 8.9685 8.9685 9.3614 9.3614 9.8852 9.8852 k = 0.2750-0.6911-1.2575 ( 4916 PWs) bands (ev): -33.8365 -33.8365 -33.8364 -33.8364 -15.1513 -15.1513 -15.1502 -15.1502 -14.7874 -14.7874 -14.7858 -14.7858 -14.7654 -14.7654 -14.7646 -14.7646 -2.1318 -2.1318 -1.9626 -1.9626 -0.5438 -0.5438 -0.3907 -0.3907 3.1078 3.1078 3.3450 3.3450 4.2698 4.2698 5.0164 5.0164 5.5214 5.5214 5.9226 5.9226 8.0596 8.0596 9.0202 9.0202 9.3193 9.3193 9.8641 9.8641 k = 0.2812-0.7068-1.2860 ( 4926 PWs) bands (ev): -33.8364 -33.8364 -33.8363 -33.8363 -15.1517 -15.1517 -15.1506 -15.1506 -14.7869 -14.7869 -14.7854 -14.7854 -14.7669 -14.7669 -14.7661 -14.7661 -2.0406 -2.0406 -1.8754 -1.8754 -0.6378 -0.6378 -0.4856 -0.4856 3.0511 3.0511 3.2901 3.2901 4.3534 4.3534 5.0572 5.0572 5.4610 5.4610 5.8715 5.8715 8.0316 8.0316 9.0732 9.0732 9.2766 9.2766 9.8434 9.8434 k = 0.2875-0.7225-1.3146 ( 4924 PWs) bands (ev): -33.8363 -33.8363 -33.8362 -33.8362 -15.1519 -15.1519 -15.1510 -15.1510 -14.7863 -14.7863 -14.7850 -14.7850 -14.7684 -14.7684 -14.7676 -14.7676 -1.9500 -1.9500 -1.7885 -1.7885 -0.7298 -0.7298 -0.5783 -0.5783 2.9994 2.9994 3.2403 3.2403 4.4368 4.4368 5.0978 5.0978 5.4020 5.4020 5.8188 5.8188 8.0070 8.0070 9.1260 9.1260 9.2340 9.2340 9.8233 9.8233 k = 0.2937-0.7382-1.3432 ( 4918 PWs) bands (ev): -33.8362 -33.8362 -33.8361 -33.8361 -15.1521 -15.1521 -15.1512 -15.1512 -14.7855 -14.7855 -14.7844 -14.7844 -14.7698 -14.7698 -14.7690 -14.7690 -1.8603 -1.8603 -1.7022 -1.7022 -0.8196 -0.8196 -0.6689 -0.6689 2.9531 2.9531 3.1958 3.1958 4.5196 4.5196 5.1380 5.1380 5.3446 5.3446 5.7650 5.7650 7.9863 7.9863 9.1772 9.1772 9.1925 9.1925 9.8039 9.8039 k = 0.3000-0.7539-1.3718 ( 4920 PWs) bands (ev): -33.8362 -33.8362 -33.8361 -33.8361 -15.1523 -15.1523 -15.1515 -15.1515 -14.7847 -14.7847 -14.7837 -14.7837 -14.7712 -14.7712 -14.7705 -14.7705 -1.7719 -1.7719 -1.6167 -1.6167 -0.9073 -0.9073 -0.7572 -0.7572 2.9124 2.9124 3.1569 3.1569 4.6011 4.6011 5.1772 5.1772 5.2890 5.2890 5.7106 5.7106 7.9696 7.9696 9.1515 9.1515 9.2267 9.2267 9.7855 9.7855 k = 0.3062-0.7696-1.4003 ( 4916 PWs) bands (ev): -33.8361 -33.8361 -33.8360 -33.8360 -15.1524 -15.1524 -15.1517 -15.1517 -14.7838 -14.7838 -14.7829 -14.7829 -14.7726 -14.7726 -14.7719 -14.7719 -1.6851 -1.6851 -1.5324 -1.5324 -0.9927 -0.9927 -0.8431 -0.8431 2.8776 2.8776 3.1238 3.1238 4.6810 4.6810 5.2106 5.2106 5.2400 5.2400 5.6558 5.6558 7.9572 7.9572 9.1130 9.1130 9.2717 9.2717 9.7682 9.7682 k = 0.3125-0.7853-1.4289 ( 4920 PWs) bands (ev): -33.8361 -33.8361 -33.8360 -33.8360 -15.1525 -15.1525 -15.1519 -15.1519 -14.7829 -14.7829 -14.7820 -14.7820 -14.7739 -14.7739 -14.7733 -14.7733 -1.6003 -1.6003 -1.4497 -1.4497 -1.0757 -1.0757 -0.9266 -0.9266 2.8491 2.8491 3.0971 3.0971 4.7586 4.7586 5.1775 5.1775 5.2579 5.2579 5.6012 5.6012 7.9493 7.9493 9.0770 9.0770 9.3115 9.3115 9.7521 9.7521 k = 0.3187-0.8010-1.4575 ( 4922 PWs) bands (ev): -33.8360 -33.8360 -33.8359 -33.8359 -15.1526 -15.1526 -15.1520 -15.1520 -14.7818 -14.7818 -14.7810 -14.7810 -14.7752 -14.7752 -14.7747 -14.7747 -1.5179 -1.5179 -1.3689 -1.3689 -1.1564 -1.1564 -1.0076 -1.0076 2.8272 2.8272 3.0769 3.0769 4.8334 4.8334 5.1268 5.1268 5.2938 5.2938 5.5469 5.5469 7.9461 7.9461 9.0442 9.0442 9.3449 9.3449 9.7374 9.7374 k = 0.3250-0.8167-1.4861 ( 4926 PWs) bands (ev): -33.8360 -33.8360 -33.8359 -33.8359 -15.1526 -15.1526 -15.1521 -15.1521 -14.7809 -14.7809 -14.7800 -14.7800 -14.7765 -14.7765 -14.7759 -14.7759 -1.4383 -1.4383 -1.2904 -1.2904 -1.2345 -1.2345 -1.0859 -1.0859 2.8123 2.8123 3.0635 3.0635 4.9050 4.9050 5.0771 5.0771 5.3290 5.3290 5.4935 5.4935 7.9478 7.9478 9.0151 9.0151 9.3708 9.3708 9.7241 9.7241 k = 0.3312-0.8324-1.5147 ( 4928 PWs) bands (ev): -33.8360 -33.8360 -33.8359 -33.8359 -15.1526 -15.1526 -15.1521 -15.1521 -14.7802 -14.7802 -14.7788 -14.7788 -14.7777 -14.7777 -14.7767 -14.7767 -1.3627 -1.3627 -1.3093 -1.3093 -1.2158 -1.2158 -1.1604 -1.1604 2.8046 2.8046 3.0574 3.0574 4.9724 4.9724 5.0290 5.0290 5.3624 5.3624 5.4414 5.4414 7.9546 7.9546 8.9902 8.9902 9.3882 9.3882 9.7124 9.7124 k = 0.3375-0.8481-1.5432 ( 4928 PWs) bands (ev): -33.8360 -33.8360 -33.8359 -33.8359 -15.1526 -15.1526 -15.1521 -15.1521 -14.7804 -14.7804 -14.7791 -14.7791 -14.7774 -14.7774 -14.7765 -14.7765 -1.3849 -1.3849 -1.2871 -1.2871 -1.2369 -1.2369 -1.1395 -1.1395 2.8044 2.8044 3.0586 3.0586 4.9813 4.9813 5.0369 5.0369 5.3812 5.3812 5.4036 5.4036 7.9664 7.9664 8.9699 8.9699 9.3967 9.3967 9.7022 9.7022 k = 0.6625-0.7523-1.4866 ( 4928 PWs) bands (ev): -33.8360 -33.8360 -33.8359 -33.8359 -15.1526 -15.1526 -15.1521 -15.1521 -14.7804 -14.7804 -14.7791 -14.7791 -14.7774 -14.7774 -14.7765 -14.7765 -1.3849 -1.3849 -1.2871 -1.2871 -1.2369 -1.2369 -1.1395 -1.1395 2.8044 2.8044 3.0586 3.0586 4.9813 4.9813 5.0369 5.0369 5.3812 5.3812 5.4036 5.4036 7.9664 7.9664 8.9699 8.9699 9.3967 9.3967 9.7022 9.7022 k = 0.6563-0.7197-1.4866 ( 4928 PWs) bands (ev): -33.8360 -33.8360 -33.8359 -33.8359 -15.1526 -15.1526 -15.1521 -15.1521 -14.7812 -14.7812 -14.7803 -14.7803 -14.7761 -14.7761 -14.7755 -14.7755 -1.4553 -1.4553 -1.3071 -1.3071 -1.2180 -1.2180 -1.0702 -1.0702 2.8120 2.8120 3.0675 3.0675 4.9365 4.9365 5.0954 5.0954 5.3368 5.3368 5.4287 5.4287 7.9834 7.9834 8.9547 8.9547 9.3959 9.3959 9.6937 9.6937 k = 0.6500-0.6871-1.4866 ( 4934 PWs) bands (ev): -33.8360 -33.8360 -33.8360 -33.8360 -15.1525 -15.1525 -15.1521 -15.1521 -14.7823 -14.7823 -14.7816 -14.7816 -14.7746 -14.7746 -14.7742 -14.7742 -1.5234 -1.5234 -1.3751 -1.3751 -1.1525 -1.1525 -1.0040 -1.0040 2.8274 2.8274 3.0844 3.0844 4.8933 4.8933 5.1489 5.1489 5.2886 5.2886 5.4576 5.4576 8.0054 8.0054 8.9448 8.9448 9.3858 9.3858 9.6869 9.6869 k = 0.6438-0.6545-1.4866 ( 4928 PWs) bands (ev): -33.8361 -33.8361 -33.8360 -33.8360 -15.1524 -15.1524 -15.1521 -15.1521 -14.7835 -14.7835 -14.7828 -14.7828 -14.7731 -14.7731 -14.7727 -14.7727 -1.5891 -1.5891 -1.4405 -1.4405 -1.0912 -1.0912 -0.9416 -0.9416 2.8509 2.8509 3.1092 3.1092 4.8519 4.8519 5.1963 5.1963 5.2425 5.2425 5.4851 5.4851 8.0323 8.0323 8.9404 8.9404 9.3670 9.3670 9.6819 9.6819 k = 0.6375-0.6218-1.4866 ( 4912 PWs) bands (ev): -33.8361 -33.8361 -33.8360 -33.8360 -15.1523 -15.1523 -15.1519 -15.1519 -14.7846 -14.7846 -14.7840 -14.7840 -14.7714 -14.7714 -14.7711 -14.7711 -1.6521 -1.6521 -1.5032 -1.5032 -1.0342 -1.0342 -0.8833 -0.8833 2.8823 2.8823 3.1421 3.1421 4.8125 4.8125 5.1943 5.1943 5.2421 5.2421 5.5110 5.5110 8.0638 8.0638 8.9416 8.9416 9.3399 9.3399 9.6788 9.6788 k = 0.6313-0.5892-1.4866 ( 4918 PWs) bands (ev): -33.8361 -33.8361 -33.8361 -33.8361 -15.1523 -15.1523 -15.1519 -15.1519 -14.7857 -14.7857 -14.7852 -14.7852 -14.7698 -14.7698 -14.7695 -14.7695 -1.7124 -1.7124 -1.5633 -1.5633 -0.9817 -0.9817 -0.8291 -0.8291 2.9217 2.9217 3.1830 3.1830 4.7752 4.7752 5.1518 5.1518 5.2785 5.2785 5.5351 5.5351 8.0996 8.0996 8.9482 8.9482 9.3051 9.3051 9.6775 9.6775 k = 0.6250-0.5566-1.4866 ( 4928 PWs) bands (ev): -33.8362 -33.8362 -33.8361 -33.8361 -15.1522 -15.1522 -15.1518 -15.1518 -14.7869 -14.7869 -14.7864 -14.7864 -14.7682 -14.7682 -14.7679 -14.7679 -1.7701 -1.7701 -1.6206 -1.6206 -0.9338 -0.9338 -0.7793 -0.7793 2.9687 2.9687 3.2319 3.2319 4.7401 4.7401 5.1106 5.1106 5.3102 5.3102 5.5575 5.5575 8.1394 8.1394 8.9602 8.9602 9.2633 9.2633 9.6782 9.6782 k = 0.6188-0.5240-1.4866 ( 4924 PWs) bands (ev): -33.8362 -33.8362 -33.8362 -33.8362 -15.1521 -15.1521 -15.1517 -15.1517 -14.7879 -14.7879 -14.7875 -14.7875 -14.7665 -14.7665 -14.7662 -14.7662 -1.8251 -1.8251 -1.6752 -1.6752 -0.8904 -0.8904 -0.7338 -0.7338 3.0231 3.0231 3.2885 3.2885 4.7075 4.7075 5.0716 5.0716 5.3369 5.3369 5.5780 5.5780 8.1827 8.1827 8.9769 8.9769 9.2151 9.2151 9.6808 9.6808 k = 0.6125-0.4914-1.4866 ( 4926 PWs) bands (ev): -33.8363 -33.8363 -33.8362 -33.8362 -15.1520 -15.1520 -15.1517 -15.1517 -14.7889 -14.7889 -14.7885 -14.7885 -14.7648 -14.7648 -14.7645 -14.7645 -1.8774 -1.8774 -1.7271 -1.7271 -0.8514 -0.8514 -0.6927 -0.6927 3.0842 3.0842 3.3525 3.3525 4.6775 4.6775 5.0350 5.0350 5.3587 5.3587 5.5965 5.5965 8.2291 8.2291 8.9979 8.9979 9.1608 9.1608 9.6854 9.6854 k = 0.6063-0.4587-1.4866 ( 4918 PWs) bands (ev): -33.8363 -33.8363 -33.8363 -33.8363 -15.1519 -15.1519 -15.1516 -15.1516 -14.7899 -14.7899 -14.7896 -14.7896 -14.7631 -14.7631 -14.7627 -14.7627 -1.9269 -1.9269 -1.7762 -1.7762 -0.8166 -0.8166 -0.6557 -0.6557 3.1516 3.1516 3.4234 3.4234 4.6505 4.6505 5.0010 5.0010 5.3763 5.3763 5.6130 5.6130 8.2781 8.2781 9.0223 9.0223 9.1007 9.1007 9.6916 9.6916 k = 0.6000-0.4261-1.4866 ( 4920 PWs) bands (ev): -33.8364 -33.8364 -33.8364 -33.8364 -15.1518 -15.1518 -15.1515 -15.1515 -14.7909 -14.7909 -14.7906 -14.7906 -14.7614 -14.7614 -14.7610 -14.7610 -1.9737 -1.9737 -1.8225 -1.8225 -0.7859 -0.7859 -0.6228 -0.6228 3.2243 3.2243 3.5005 3.5005 4.6268 4.6268 4.9698 4.9698 5.3900 5.3900 5.6275 5.6275 8.3293 8.3293 9.0340 9.0340 9.0501 9.0501 9.6994 9.6994 k = 0.5938-0.3935-1.4866 ( 4918 PWs) bands (ev): -33.8365 -33.8365 -33.8364 -33.8364 -15.1517 -15.1517 -15.1514 -15.1514 -14.7918 -14.7918 -14.7915 -14.7915 -14.7597 -14.7597 -14.7593 -14.7593 -2.0177 -2.0177 -1.8661 -1.8661 -0.7591 -0.7591 -0.5937 -0.5937 3.3013 3.3013 3.5831 3.5831 4.6069 4.6069 4.9417 4.9417 5.4003 5.4003 5.6401 5.6401 8.3822 8.3822 8.9626 8.9626 9.0782 9.0782 9.7083 9.7083 k = 0.5875-0.3609-1.4866 ( 4926 PWs) bands (ev): -33.8365 -33.8365 -33.8365 -33.8365 -15.1516 -15.1516 -15.1514 -15.1514 -14.7926 -14.7926 -14.7924 -14.7924 -14.7581 -14.7581 -14.7577 -14.7577 -2.0590 -2.0590 -1.9068 -1.9068 -0.7357 -0.7357 -0.5682 -0.5682 3.3815 3.3815 3.6701 3.6701 4.5915 4.5915 4.9171 4.9171 5.4078 5.4078 5.6507 5.6507 8.4364 8.4364 8.8846 8.8846 9.1073 9.1073 9.7156 9.7156 k = 0.5813-0.3282-1.4866 ( 4914 PWs) bands (ev): -33.8366 -33.8366 -33.8365 -33.8365 -15.1515 -15.1515 -15.1513 -15.1513 -14.7934 -14.7934 -14.7932 -14.7932 -14.7565 -14.7565 -14.7561 -14.7561 -2.0974 -2.0974 -1.9448 -1.9448 -0.7157 -0.7157 -0.5461 -0.5461 3.4633 3.4633 3.7600 3.7600 4.5814 4.5814 4.8965 4.8965 5.4129 5.4129 5.6595 5.6595 8.4914 8.4914 8.8003 8.8003 9.1361 9.1361 9.5566 9.5566 k = 0.5750-0.2956-1.4866 ( 4912 PWs) bands (ev): -33.8367 -33.8367 -33.8366 -33.8366 -15.1514 -15.1514 -15.1512 -15.1512 -14.7942 -14.7942 -14.7940 -14.7940 -14.7550 -14.7550 -14.7545 -14.7545 -2.1331 -2.1331 -1.9800 -1.9800 -0.6985 -0.6985 -0.5270 -0.5270 3.5452 3.5452 3.8513 3.8513 4.5777 4.5777 4.8803 4.8803 5.4160 5.4160 5.6667 5.6667 8.5463 8.5463 8.7097 8.7097 9.1635 9.1635 9.3929 9.3929 k = 0.5688-0.2630-1.4866 ( 4912 PWs) bands (ev): -33.8367 -33.8367 -33.8367 -33.8367 -15.1514 -15.1514 -15.1512 -15.1512 -14.7949 -14.7949 -14.7947 -14.7947 -14.7535 -14.7535 -14.7531 -14.7531 -2.1659 -2.1659 -2.0124 -2.0124 -0.6841 -0.6841 -0.5106 -0.5106 3.6250 3.6250 3.9416 3.9416 4.5818 4.5818 4.8696 4.8696 5.4175 5.4175 5.6724 5.6724 8.5900 8.5900 8.6236 8.6236 9.1838 9.1838 9.2350 9.2350 k = 0.5625-0.2304-1.4866 ( 4908 PWs) bands (ev): -33.8368 -33.8368 -33.8367 -33.8367 -15.1513 -15.1513 -15.1511 -15.1511 -14.7955 -14.7955 -14.7954 -14.7954 -14.7521 -14.7521 -14.7517 -14.7517 -2.1959 -2.1959 -2.0420 -2.0420 -0.6719 -0.6719 -0.4967 -0.4967 3.7006 3.7006 4.0283 4.0283 4.5950 4.5950 4.8654 4.8654 5.4179 5.4179 5.6769 5.6769 8.5034 8.5034 8.6607 8.6607 9.0635 9.0635 9.2186 9.2186 k = 0.5563-0.1978-1.4866 ( 4910 PWs) bands (ev): -33.8368 -33.8368 -33.8368 -33.8368 -15.1512 -15.1512 -15.1511 -15.1511 -14.7961 -14.7961 -14.7960 -14.7960 -14.7508 -14.7508 -14.7505 -14.7505 -2.2230 -2.2230 -2.0688 -2.0688 -0.6618 -0.6618 -0.4850 -0.4850 3.7697 3.7697 4.1084 4.1084 4.6184 4.6184 4.8694 4.8694 5.4174 5.4174 5.6804 5.6804 8.3941 8.3941 8.7137 8.7137 8.9083 8.9083 9.2404 9.2404 k = 0.5500-0.1651-1.4866 ( 4920 PWs) bands (ev): -33.8369 -33.8369 -33.8368 -33.8368 -15.1512 -15.1512 -15.1510 -15.1510 -14.7967 -14.7967 -14.7966 -14.7966 -14.7497 -14.7497 -14.7493 -14.7493 -2.2474 -2.2474 -2.0928 -2.0928 -0.6536 -0.6536 -0.4752 -0.4752 3.8302 3.8302 4.1791 4.1791 4.6518 4.6518 4.8835 4.8835 5.4163 5.4163 5.6830 5.6830 8.2800 8.2800 8.7484 8.7484 8.7769 8.7769 9.2615 9.2615 k = 0.5438-0.1325-1.4866 ( 4920 PWs) bands (ev): -33.8369 -33.8369 -33.8369 -33.8369 -15.1512 -15.1512 -15.1510 -15.1510 -14.7972 -14.7972 -14.7971 -14.7971 -14.7486 -14.7486 -14.7482 -14.7482 -2.2688 -2.2688 -2.1139 -2.1139 -0.6468 -0.6468 -0.4672 -0.4672 3.8808 3.8808 4.2386 4.2386 4.6925 4.6925 4.9099 4.9099 5.4149 5.4149 5.6850 5.6850 8.1640 8.1640 8.6178 8.6178 8.8180 8.8180 9.2814 9.2814 k = 0.5375-0.0999-1.4866 ( 4924 PWs) bands (ev): -33.8370 -33.8370 -33.8369 -33.8369 -15.1512 -15.1512 -15.1510 -15.1510 -14.7976 -14.7976 -14.7975 -14.7975 -14.7477 -14.7477 -14.7473 -14.7473 -2.2875 -2.2875 -2.1323 -2.1323 -0.6415 -0.6415 -0.4606 -0.4606 3.9210 3.9210 4.2864 4.2864 4.7364 4.7364 4.9491 4.9491 5.4135 5.4135 5.6866 5.6866 8.0492 8.0492 8.4906 8.4906 8.8643 8.8643 9.3003 9.3003 k = 0.5313-0.0673-1.4866 ( 4932 PWs) bands (ev): -33.8370 -33.8370 -33.8370 -33.8370 -15.1511 -15.1511 -15.1510 -15.1510 -14.7980 -14.7980 -14.7979 -14.7979 -14.7469 -14.7469 -14.7465 -14.7465 -2.3032 -2.3032 -2.1478 -2.1478 -0.6372 -0.6372 -0.4554 -0.4554 3.9515 3.9515 4.3232 4.3232 4.7795 4.7795 4.9989 4.9989 5.4122 5.4122 5.6878 5.6878 7.9396 7.9396 8.3773 8.3773 8.9065 8.9065 9.3187 9.3187 k = 0.5250-0.0347-1.4866 ( 4934 PWs) bands (ev): -33.8370 -33.8370 -33.8370 -33.8370 -15.1511 -15.1511 -15.1510 -15.1510 -14.7983 -14.7983 -14.7982 -14.7982 -14.7462 -14.7462 -14.7458 -14.7458 -2.3161 -2.3161 -2.1605 -2.1605 -0.6340 -0.6340 -0.4513 -0.4513 3.9737 3.9737 4.3503 4.3503 4.8190 4.8190 5.0536 5.0536 5.4112 5.4112 5.6887 5.6887 7.8398 7.8398 8.2802 8.2802 8.9432 8.9432 9.3366 9.3366 k = 0.5188-0.0020-1.4866 ( 4932 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1511 -15.1511 -15.1510 -15.1510 -14.7985 -14.7985 -14.7984 -14.7984 -14.7457 -14.7457 -14.7453 -14.7453 -2.3262 -2.3262 -2.1704 -2.1704 -0.6316 -0.6316 -0.4483 -0.4483 3.9891 3.9891 4.3693 4.3693 4.8531 4.8531 5.1059 5.1059 5.4106 5.4106 5.6895 5.6895 7.7546 7.7546 8.2017 8.2017 8.9732 8.9732 9.3536 9.3536 k = 0.5125 0.0306-1.4866 ( 4932 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1511 -15.1511 -15.1509 -15.1509 -14.7986 -14.7986 -14.7986 -14.7986 -14.7453 -14.7453 -14.7449 -14.7449 -2.3334 -2.3334 -2.1774 -2.1774 -0.6299 -0.6299 -0.4462 -0.4462 3.9991 3.9991 4.3816 4.3816 4.8796 4.8796 5.1488 5.1488 5.4105 5.4105 5.6902 5.6902 7.6890 7.6890 8.1438 8.1438 8.9953 8.9953 9.3686 9.3686 k = 0.5063 0.0632-1.4866 ( 4932 PWs) bands (ev): -33.8371 -33.8371 -33.8371 -33.8371 -15.1511 -15.1511 -15.1509 -15.1509 -14.7987 -14.7987 -14.7987 -14.7987 -14.7451 -14.7451 -14.7447 -14.7447 -2.3377 -2.3377 -2.1817 -2.1817 -0.6290 -0.6290 -0.4450 -0.4450 4.0046 4.0046 4.3885 4.3885 4.8966 4.8966 5.1769 5.1769 5.4106 5.4106 5.6906 5.6906 7.6476 7.6476 8.1082 8.1082 9.0090 9.0090 9.3794 9.3794 k = 0.5000 0.0958-1.4866 ( 4936 PWs) bands (ev): -33.8371 -33.8371 -33.8371 -33.8371 -15.1511 -15.1511 -15.1510 -15.1510 -14.7988 -14.7988 -14.7987 -14.7987 -14.7450 -14.7450 -14.7447 -14.7447 -2.3391 -2.3391 -2.1831 -2.1831 -0.6287 -0.6287 -0.4446 -0.4446 4.0064 4.0064 4.3907 4.3907 4.9024 4.9024 5.1867 5.1867 5.4107 5.4107 5.6908 5.6908 7.6334 7.6334 8.0962 8.0962 9.0136 9.0136 9.3834 9.3834 k = 0.5000 0.0958-1.4866 ( 4936 PWs) bands (ev): -33.8371 -33.8371 -33.8371 -33.8371 -15.1511 -15.1511 -15.1510 -15.1510 -14.7988 -14.7988 -14.7987 -14.7987 -14.7450 -14.7450 -14.7447 -14.7447 -2.3391 -2.3391 -2.1831 -2.1831 -0.6287 -0.6287 -0.4446 -0.4446 4.0064 4.0064 4.3907 4.3907 4.9024 4.9024 5.1867 5.1867 5.4107 5.4107 5.6908 5.6908 7.6334 7.6334 8.0962 8.0962 9.0136 9.0136 9.3834 9.3834 k = 0.5271 0.1010-1.4771 ( 4938 PWs) bands (ev): -33.8371 -33.8371 -33.8371 -33.8371 -15.1511 -15.1511 -15.1509 -15.1509 -14.7988 -14.7988 -14.7987 -14.7987 -14.7450 -14.7450 -14.7447 -14.7447 -2.3394 -2.3394 -2.1834 -2.1834 -0.6283 -0.6283 -0.4442 -0.4442 4.0067 4.0067 4.3882 4.3882 4.9028 4.9028 5.1864 5.1864 5.4135 5.4135 5.6912 5.6912 7.6340 7.6340 8.0963 8.0963 9.0047 9.0047 9.3765 9.3765 k = 0.5542 0.1062-1.4677 ( 4943 PWs) bands (ev): -33.8371 -33.8371 -33.8371 -33.8371 -15.1512 -15.1512 -15.1509 -15.1509 -14.7989 -14.7989 -14.7986 -14.7986 -14.7451 -14.7451 -14.7447 -14.7447 -2.3402 -2.3402 -2.1842 -2.1842 -0.6270 -0.6270 -0.4432 -0.4432 4.0077 4.0077 4.3809 4.3809 4.9039 4.9039 5.1856 5.1856 5.4216 5.4216 5.6926 5.6926 7.6358 7.6358 8.0964 8.0964 8.9784 8.9784 9.3621 9.3621 k = 0.5813 0.1114-1.4582 ( 4943 PWs) bands (ev): -33.8371 -33.8371 -33.8371 -33.8371 -15.1512 -15.1512 -15.1508 -15.1508 -14.7990 -14.7990 -14.7985 -14.7985 -14.7451 -14.7451 -14.7446 -14.7446 -2.3417 -2.3417 -2.1856 -2.1856 -0.6249 -0.6249 -0.4416 -0.4416 4.0092 4.0092 4.3691 4.3691 4.9057 4.9057 5.1843 5.1843 5.4347 5.4347 5.6948 5.6948 7.6389 7.6389 8.0967 8.0967 8.9357 8.9357 9.3499 9.3499 k = 0.6084 0.1166-1.4488 ( 4939 PWs) bands (ev): -33.8371 -33.8371 -33.8371 -33.8371 -15.1512 -15.1512 -15.1508 -15.1508 -14.7990 -14.7990 -14.7984 -14.7984 -14.7451 -14.7451 -14.7446 -14.7446 -2.3437 -2.3437 -2.1875 -2.1875 -0.6220 -0.6220 -0.4393 -0.4393 4.0111 4.0111 4.3534 4.3534 4.9081 4.9081 5.1824 5.1824 5.4522 5.4522 5.6982 5.6982 7.6431 7.6431 8.0972 8.0972 8.8793 8.8793 9.3443 9.3443 k = 0.6354 0.1218-1.4393 ( 4933 PWs) bands (ev): -33.8371 -33.8371 -33.8371 -33.8371 -15.1513 -15.1513 -15.1507 -15.1507 -14.7991 -14.7991 -14.7983 -14.7983 -14.7451 -14.7451 -14.7445 -14.7445 -2.3462 -2.3462 -2.1899 -2.1899 -0.6183 -0.6183 -0.4363 -0.4363 4.0134 4.0134 4.3347 4.3347 4.9112 4.9112 5.1800 5.1800 5.4731 5.4731 5.7027 5.7027 7.6486 7.6486 8.0981 8.0981 8.8129 8.8129 9.3455 9.3455 k = 0.6625 0.1270-1.4299 ( 4929 PWs) bands (ev): -33.8371 -33.8371 -33.8371 -33.8371 -15.1513 -15.1513 -15.1506 -15.1506 -14.7991 -14.7991 -14.7982 -14.7982 -14.7451 -14.7451 -14.7445 -14.7445 -2.3493 -2.3493 -2.1929 -2.1929 -0.6138 -0.6138 -0.4327 -0.4327 4.0157 4.0157 4.3139 4.3139 4.9148 4.9148 5.1772 5.1772 5.4966 5.4966 5.7088 5.7088 7.6552 7.6552 8.0993 8.0993 8.7401 8.7401 9.3520 9.3520 k = 0.6625 0.1270-1.4299 ( 4929 PWs) bands (ev): -33.8371 -33.8371 -33.8371 -33.8371 -15.1513 -15.1513 -15.1506 -15.1506 -14.7991 -14.7991 -14.7982 -14.7982 -14.7451 -14.7451 -14.7445 -14.7445 -2.3493 -2.3493 -2.1929 -2.1929 -0.6138 -0.6138 -0.4327 -0.4327 4.0157 4.0157 4.3139 4.3139 4.9148 4.9148 5.1772 5.1772 5.4966 5.4966 5.7088 5.7088 7.6552 7.6552 8.0993 8.0993 8.7401 8.7401 9.3520 9.3520 k = 0.6589 0.1263-1.3969 ( 4921 PWs) bands (ev): -33.8371 -33.8371 -33.8371 -33.8371 -15.1511 -15.1511 -15.1505 -15.1505 -14.7989 -14.7989 -14.7981 -14.7981 -14.7450 -14.7450 -14.7444 -14.7444 -2.3739 -2.3739 -2.2148 -2.2148 -0.5847 -0.5847 -0.4031 -0.4031 4.0088 4.0088 4.3051 4.3051 4.9183 4.9183 5.1821 5.1821 5.4887 5.4887 5.7250 5.7250 7.6620 7.6620 8.1155 8.1155 8.7764 8.7764 9.3304 9.3304 k = 0.6553 0.1256-1.3638 ( 4921 PWs) bands (ev): -33.8372 -33.8372 -33.8371 -33.8371 -15.1508 -15.1508 -15.1502 -15.1502 -14.7985 -14.7985 -14.7978 -14.7978 -14.7449 -14.7449 -14.7443 -14.7443 -2.4110 -2.4110 -2.2496 -2.2496 -0.5387 -0.5387 -0.3575 -0.3575 3.9921 3.9921 4.2906 4.2906 4.9244 4.9244 5.1897 5.1897 5.4944 5.4944 5.7470 5.7470 7.6695 7.6695 8.1324 8.1324 8.8157 8.8157 9.3062 9.3062 k = 0.6517 0.1249-1.3308 ( 4925 PWs) bands (ev): -33.8373 -33.8373 -33.8372 -33.8372 -15.1505 -15.1505 -15.1499 -15.1499 -14.7981 -14.7981 -14.7974 -14.7974 -14.7447 -14.7447 -14.7441 -14.7441 -2.4585 -2.4585 -2.2955 -2.2955 -0.4778 -0.4778 -0.2979 -0.2979 3.9677 3.9677 4.2693 4.2693 4.9333 4.9333 5.1998 5.1998 5.5130 5.5130 5.7744 5.7744 7.6777 7.6777 8.1502 8.1502 8.8576 8.8576 9.2799 9.2799 k = 0.6481 0.1242-1.2977 ( 4925 PWs) bands (ev): -33.8374 -33.8374 -33.8373 -33.8373 -15.1500 -15.1500 -15.1495 -15.1495 -14.7976 -14.7976 -14.7969 -14.7969 -14.7445 -14.7445 -14.7439 -14.7439 -2.5145 -2.5145 -2.3504 -2.3504 -0.4044 -0.4044 -0.2260 -0.2260 3.9375 3.9375 4.2413 4.2413 4.9447 4.9447 5.2124 5.2124 5.5431 5.5431 5.8071 5.8071 7.6866 7.6866 8.1689 8.1689 8.9016 8.9016 9.2519 9.2519 k = 0.6445 0.1235-1.2647 ( 4919 PWs) bands (ev): -33.8375 -33.8375 -33.8374 -33.8374 -15.1495 -15.1495 -15.1489 -15.1489 -14.7969 -14.7969 -14.7962 -14.7962 -14.7442 -14.7442 -14.7436 -14.7436 -2.5771 -2.5771 -2.4123 -2.4123 -0.3205 -0.3205 -0.1439 -0.1439 3.9031 3.9031 4.2073 4.2073 4.9588 4.9588 5.2274 5.2274 5.5828 5.5828 5.8450 5.8450 7.6962 7.6962 8.1887 8.1887 8.9475 8.9475 9.2230 9.2230 k = 0.6409 0.1228-1.2317 ( 4915 PWs) bands (ev): -33.8376 -33.8376 -33.8376 -33.8376 -15.1489 -15.1489 -15.1483 -15.1483 -14.7962 -14.7962 -14.7955 -14.7955 -14.7438 -14.7438 -14.7432 -14.7432 -2.6447 -2.6447 -2.4794 -2.4794 -0.2283 -0.2283 -0.0532 -0.0532 3.8657 3.8657 4.1687 4.1687 4.9755 4.9755 5.2446 5.2446 5.6296 5.6296 5.8879 5.8879 7.7064 7.7064 8.2096 8.2096 8.9942 8.9942 9.1943 9.1943 k = 0.6373 0.1221-1.1986 ( 4921 PWs) bands (ev): -33.8377 -33.8377 -33.8377 -33.8377 -15.1483 -15.1483 -15.1476 -15.1476 -14.7954 -14.7954 -14.7947 -14.7947 -14.7434 -14.7434 -14.7428 -14.7428 -2.7159 -2.7159 -2.5503 -2.5503 -0.1293 -0.1293 0.0445 0.0445 3.8264 3.8264 4.1269 4.1269 4.9947 4.9947 5.2641 5.2641 5.6814 5.6814 5.9358 5.9358 7.7172 7.7172 8.2317 8.2317 9.0399 9.0399 9.1681 9.1681 k = 0.6336 0.1214-1.1656 ( 4922 PWs) bands (ev): -33.8379 -33.8379 -33.8379 -33.8379 -15.1475 -15.1475 -15.1469 -15.1469 -14.7945 -14.7945 -14.7938 -14.7938 -14.7430 -14.7430 -14.7424 -14.7424 -2.7895 -2.7895 -2.6237 -2.6237 -0.0252 -0.0252 0.1480 0.1480 3.7863 3.7863 4.0835 4.0835 5.0164 5.0164 5.2858 5.2858 5.7362 5.7362 5.9887 5.9887 7.7284 7.7284 8.2548 8.2548 9.0750 9.0750 9.1542 9.1542 k = 0.6300 0.1207-1.1326 ( 4934 PWs) bands (ev): -33.8381 -33.8381 -33.8381 -33.8381 -15.1467 -15.1467 -15.1461 -15.1461 -14.7936 -14.7936 -14.7928 -14.7928 -14.7425 -14.7425 -14.7418 -14.7418 -2.8647 -2.8647 -2.6987 -2.6987 0.0829 0.0829 0.2560 0.2560 3.7461 3.7461 4.0396 4.0396 5.0405 5.0405 5.3097 5.3097 5.7923 5.7923 6.0462 6.0462 7.7400 7.7400 8.2791 8.2791 9.0763 9.0763 9.1764 9.1764 k = 0.6264 0.1200-1.0995 ( 4928 PWs) bands (ev): -33.8383 -33.8383 -33.8383 -33.8383 -15.1458 -15.1458 -15.1452 -15.1452 -14.7926 -14.7926 -14.7917 -14.7917 -14.7419 -14.7419 -14.7412 -14.7412 -2.9407 -2.9407 -2.7745 -2.7745 0.1938 0.1938 0.3677 0.3677 3.7068 3.7068 3.9964 3.9964 5.0671 5.0671 5.3357 5.3357 5.8487 5.8487 6.1081 6.1081 7.7519 7.7519 8.3044 8.3044 9.0561 9.0561 9.2224 9.2224 k = 0.6228 0.1194-1.0665 ( 4930 PWs) bands (ev): -33.8385 -33.8385 -33.8385 -33.8385 -15.1449 -15.1449 -15.1442 -15.1442 -14.7915 -14.7915 -14.7905 -14.7905 -14.7412 -14.7412 -14.7405 -14.7405 -3.0168 -3.0168 -2.8505 -2.8505 0.3066 0.3066 0.4820 0.4820 3.6691 3.6691 3.9549 3.9549 5.0960 5.0960 5.3639 5.3639 5.9046 5.9046 6.1734 6.1734 7.7642 7.7642 8.3305 8.3305 9.0324 9.0324 9.2745 9.2745 k = 0.6192 0.1187-1.0335 ( 4929 PWs) bands (ev): -33.8387 -33.8387 -33.8387 -33.8387 -15.1440 -15.1440 -15.1432 -15.1432 -14.7903 -14.7903 -14.7893 -14.7893 -14.7405 -14.7405 -14.7398 -14.7398 -3.0928 -3.0928 -2.9262 -2.9262 0.4202 0.4202 0.5979 0.5979 3.6340 3.6340 3.9160 3.9160 5.1274 5.1274 5.3941 5.3941 5.9596 5.9596 6.2413 6.2413 7.7770 7.7770 8.3572 8.3572 9.0098 9.0098 9.3286 9.3286 k = 0.6156 0.1180-1.0004 ( 4927 PWs) bands (ev): -33.8390 -33.8390 -33.8390 -33.8390 -15.1429 -15.1429 -15.1421 -15.1421 -14.7891 -14.7891 -14.7881 -14.7881 -14.7397 -14.7397 -14.7389 -14.7389 -3.1681 -3.1681 -3.0011 -3.0011 0.5338 0.5338 0.7146 0.7146 3.6023 3.6023 3.8807 3.8807 5.1610 5.1610 5.4265 5.4265 6.0137 6.0137 6.3107 6.3107 7.7903 7.7903 8.3843 8.3843 8.9897 8.9897 9.3832 9.3832 k = 0.6120 0.1173-0.9674 ( 4925 PWs) bands (ev): -33.8392 -33.8392 -33.8392 -33.8392 -15.1419 -15.1419 -15.1411 -15.1411 -14.7879 -14.7879 -14.7868 -14.7868 -14.7387 -14.7387 -14.7380 -14.7380 -3.2424 -3.2424 -3.0751 -3.0751 0.6464 0.6464 0.8310 0.8310 3.5750 3.5750 3.8498 3.8498 5.1970 5.1970 5.4609 5.4609 6.0669 6.0669 6.3805 6.3805 7.8045 7.8045 8.4112 8.4112 8.9731 8.9731 9.4374 9.4374 k = 0.6084 0.1166-0.9344 ( 4922 PWs) bands (ev): -33.8395 -33.8395 -33.8395 -33.8395 -15.1408 -15.1408 -15.1399 -15.1399 -14.7866 -14.7866 -14.7855 -14.7855 -14.7377 -14.7377 -14.7370 -14.7370 -3.3155 -3.3155 -3.1479 -3.1479 0.7571 0.7571 0.9462 0.9462 3.5533 3.5533 3.8242 3.8242 5.2351 5.2351 5.4972 5.4972 6.1192 6.1192 6.4496 6.4496 7.8199 7.8199 8.4375 8.4375 8.9609 8.9609 9.4906 9.4906 k = 0.6047 0.1159-0.9013 ( 4924 PWs) bands (ev): -33.8398 -33.8398 -33.8397 -33.8397 -15.1397 -15.1397 -15.1388 -15.1388 -14.7853 -14.7853 -14.7842 -14.7842 -14.7367 -14.7367 -14.7360 -14.7360 -3.3872 -3.3872 -3.2192 -3.2192 0.8649 0.8649 1.0590 1.0590 3.5383 3.5383 3.8048 3.8048 5.2755 5.2755 5.5354 5.5354 6.1706 6.1706 6.5169 6.5169 7.8370 7.8370 8.4626 8.4626 8.9540 8.9540 9.5420 9.5420 k = 0.6011 0.1152-0.8683 ( 4916 PWs) bands (ev): -33.8400 -33.8400 -33.8400 -33.8400 -15.1386 -15.1386 -15.1377 -15.1377 -14.7841 -14.7841 -14.7828 -14.7828 -14.7355 -14.7355 -14.7348 -14.7348 -3.4572 -3.4572 -3.2888 -3.2888 0.9686 0.9686 1.1682 1.1682 3.5313 3.5313 3.7926 3.7926 5.3180 5.3180 5.5755 5.5755 6.2209 6.2209 6.5813 6.5813 7.8563 7.8563 8.4860 8.4860 8.9529 8.9529 9.5907 9.5907 k = 0.5975 0.1145-0.8353 ( 4911 PWs) bands (ev): -33.8403 -33.8403 -33.8403 -33.8403 -15.1374 -15.1374 -15.1365 -15.1365 -14.7828 -14.7828 -14.7815 -14.7815 -14.7342 -14.7342 -14.7335 -14.7335 -3.5255 -3.5255 -3.3567 -3.3567 1.0671 1.0671 1.2724 1.2724 3.5335 3.5335 3.7887 3.7887 5.3625 5.3625 5.6173 5.6173 6.2702 6.2702 6.6420 6.6420 7.8786 7.8786 8.5072 8.5072 8.9583 8.9583 9.6360 9.6360 k = 0.5939 0.1138-0.8022 ( 4907 PWs) bands (ev): -33.8406 -33.8406 -33.8406 -33.8406 -15.1363 -15.1363 -15.1353 -15.1353 -14.7815 -14.7815 -14.7802 -14.7802 -14.7329 -14.7329 -14.7322 -14.7322 -3.5920 -3.5920 -3.4226 -3.4226 1.1594 1.1594 1.3704 1.3704 3.5464 3.5464 3.7941 3.7941 5.4090 5.4090 5.6609 5.6609 6.3183 6.3183 6.6980 6.6980 7.9043 7.9043 8.5260 8.5260 8.9704 8.9704 9.6765 9.6765 k = 0.5903 0.1131-0.7692 ( 4913 PWs) bands (ev): -33.8409 -33.8409 -33.8409 -33.8409 -15.1352 -15.1352 -15.1342 -15.1342 -14.7803 -14.7803 -14.7790 -14.7790 -14.7314 -14.7314 -14.7307 -14.7307 -3.6564 -3.6564 -3.4866 -3.4866 1.2443 1.2443 1.4609 1.4609 3.5711 3.5711 3.8099 3.8099 5.4574 5.4574 5.7059 5.7059 6.3650 6.3650 6.7485 6.7485 7.9342 7.9342 8.5426 8.5426 8.9891 8.9891 9.7016 9.7024 k = 0.5867 0.1124-0.7362 ( 4917 PWs) bands (ev): -33.8412 -33.8412 -33.8412 -33.8412 -15.1341 -15.1341 -15.1331 -15.1331 -14.7791 -14.7791 -14.7777 -14.7777 -14.7299 -14.7299 -14.7292 -14.7292 -3.7187 -3.7187 -3.5485 -3.5485 1.3209 1.3209 1.5428 1.5428 3.6088 3.6088 3.8370 3.8370 5.5076 5.5076 5.7525 5.7525 6.4101 6.4101 6.7930 6.7930 7.9686 7.9686 8.5575 8.5575 9.0139 9.0139 9.7043 9.7043 k = 0.5831 0.1117-0.7031 ( 4913 PWs) bands (ev): -33.8415 -33.8415 -33.8415 -33.8415 -15.1330 -15.1330 -15.1319 -15.1319 -14.7779 -14.7779 -14.7765 -14.7765 -14.7284 -14.7284 -14.7276 -14.7276 -3.7788 -3.7788 -3.6082 -3.6082 1.3885 1.3885 1.6152 1.6152 3.6602 3.6602 3.8763 3.8763 5.5594 5.5594 5.8004 5.8004 6.4534 6.4534 6.8311 6.8311 8.0079 8.0079 8.5713 8.5713 9.0440 9.0440 9.7036 9.7036 k = 0.5795 0.1110-0.6701 ( 4906 PWs) bands (ev): -33.8418 -33.8418 -33.8418 -33.8418 -15.1319 -15.1319 -15.1308 -15.1308 -14.7768 -14.7768 -14.7754 -14.7754 -14.7267 -14.7267 -14.7260 -14.7260 -3.8368 -3.8368 -3.6657 -3.6657 1.4466 1.4466 1.6775 1.6775 3.7256 3.7256 3.9282 3.9282 5.6129 5.6129 5.8495 5.8495 6.4947 6.4947 6.8627 6.8627 8.0521 8.0521 8.5851 8.5851 9.0785 9.0785 9.7012 9.7012 k = 0.5758 0.1104-0.6371 ( 4896 PWs) bands (ev): -33.8421 -33.8421 -33.8421 -33.8421 -15.1308 -15.1308 -15.1297 -15.1297 -14.7757 -14.7757 -14.7743 -14.7743 -14.7249 -14.7249 -14.7242 -14.7242 -3.8924 -3.8924 -3.7209 -3.7209 1.4951 1.4951 1.7297 1.7297 3.8048 3.8048 3.9930 3.9930 5.6677 5.6677 5.8996 5.8996 6.5338 6.5338 6.8880 6.8880 8.1007 8.1007 8.5995 8.5995 9.1164 9.1164 9.6970 9.6970 k = 0.5722 0.1097-0.6040 ( 4897 PWs) bands (ev): -33.8424 -33.8424 -33.8424 -33.8424 -15.1298 -15.1298 -15.1287 -15.1287 -14.7747 -14.7747 -14.7732 -14.7732 -14.7231 -14.7231 -14.7225 -14.7225 -3.9457 -3.9457 -3.7737 -3.7737 1.5342 1.5342 1.7721 1.7721 3.8971 3.8971 4.0706 4.0706 5.7239 5.7239 5.9506 5.9506 6.5704 6.5704 6.9073 6.9073 8.1532 8.1532 8.6155 8.6155 9.1565 9.1565 9.6910 9.6910 k = 0.5686 0.1090-0.5710 ( 4894 PWs) bands (ev): -33.8427 -33.8427 -33.8427 -33.8427 -15.1288 -15.1288 -15.1277 -15.1277 -14.7737 -14.7737 -14.7722 -14.7722 -14.7213 -14.7213 -14.7206 -14.7206 -3.9966 -3.9966 -3.8242 -3.8242 1.5647 1.5647 1.8055 1.8055 4.0015 4.0015 4.1605 4.1605 5.7812 5.7812 6.0023 6.0023 6.6045 6.6045 6.9212 6.9212 8.2087 8.2087 8.6337 8.6337 9.1980 9.1980 9.6831 9.6831 k = 0.5650 0.1083-0.5379 ( 4893 PWs) bands (ev): -33.8430 -33.8430 -33.8430 -33.8430 -15.1278 -15.1278 -15.1267 -15.1267 -14.7728 -14.7728 -14.7713 -14.7713 -14.7195 -14.7195 -14.7188 -14.7188 -4.0451 -4.0451 -3.8723 -3.8723 1.5873 1.5873 1.8307 1.8307 4.1167 4.1167 4.2620 4.2620 5.8393 5.8393 6.0544 6.0544 6.6359 6.6359 6.9302 6.9302 8.2659 8.2659 8.6545 8.6545 9.2398 9.2398 9.6731 9.6731 k = 0.5614 0.1076-0.5049 ( 4890 PWs) bands (ev): -33.8433 -33.8433 -33.8432 -33.8432 -15.1269 -15.1269 -15.1258 -15.1258 -14.7719 -14.7719 -14.7704 -14.7704 -14.7176 -14.7176 -14.7170 -14.7170 -4.0911 -4.0911 -3.9179 -3.9179 1.6030 1.6030 1.8488 1.8488 4.2413 4.2413 4.3743 4.3743 5.8982 5.8982 6.1068 6.1068 6.6645 6.6645 6.9351 6.9351 8.3233 8.3233 8.6786 8.6786 9.2810 9.2810 9.6612 9.6612 k = 0.5578 0.1069-0.4719 ( 4885 PWs) bands (ev): -33.8435 -33.8435 -33.8435 -33.8435 -15.1260 -15.1260 -15.1249 -15.1249 -14.7711 -14.7711 -14.7696 -14.7696 -14.7158 -14.7158 -14.7151 -14.7151 -4.1346 -4.1346 -3.9610 -3.9610 1.6129 1.6129 1.8608 1.8608 4.3738 4.3738 4.4964 4.4964 5.9576 5.9576 6.1591 6.1591 6.6903 6.6903 6.9365 6.9365 8.3791 8.3791 8.7062 8.7062 9.3204 9.3204 9.6472 9.6473 k = 0.5542 0.1062-0.4388 ( 4886 PWs) bands (ev): -33.8438 -33.8438 -33.8438 -33.8438 -15.1252 -15.1252 -15.1241 -15.1241 -14.7703 -14.7703 -14.7689 -14.7689 -14.7139 -14.7139 -14.7133 -14.7133 -4.1755 -4.1755 -4.0016 -4.0016 1.6181 1.6181 1.8678 1.8678 4.5129 4.5129 4.6270 4.6270 6.0172 6.0172 6.2112 6.2112 6.7133 6.7133 6.9350 6.9350 8.4309 8.4309 8.7376 8.7376 9.3568 9.3568 9.6314 9.6314 k = 0.5506 0.1055-0.4058 ( 4884 PWs) bands (ev): -33.8440 -33.8440 -33.8440 -33.8440 -15.1244 -15.1244 -15.1233 -15.1233 -14.7696 -14.7696 -14.7681 -14.7681 -14.7122 -14.7122 -14.7116 -14.7116 -4.2140 -4.2140 -4.0397 -4.0397 1.6194 1.6194 1.8709 1.8709 4.6572 4.6572 4.7652 4.7652 6.0767 6.0767 6.2625 6.2625 6.7335 6.7335 6.9312 6.9312 8.4764 8.4764 8.7725 8.7725 9.3885 9.3885 9.6138 9.6138 k = 0.5470 0.1048-0.3728 ( 4889 PWs) bands (ev): -33.8443 -33.8443 -33.8443 -33.8443 -15.1237 -15.1237 -15.1225 -15.1225 -14.7689 -14.7689 -14.7675 -14.7675 -14.7104 -14.7104 -14.7098 -14.7098 -4.2498 -4.2498 -4.0753 -4.0753 1.6178 1.6178 1.8708 1.8708 4.8055 4.8055 4.9097 4.9097 6.1358 6.1358 6.3128 6.3128 6.7512 6.7512 6.9255 6.9255 8.5130 8.5130 8.8101 8.8101 9.4139 9.4139 9.5946 9.5946 k = 0.5433 0.1041-0.3397 ( 4884 PWs) bands (ev): -33.8445 -33.8445 -33.8445 -33.8445 -15.1230 -15.1230 -15.1219 -15.1219 -14.7683 -14.7683 -14.7669 -14.7669 -14.7087 -14.7087 -14.7081 -14.7081 -4.2831 -4.2831 -4.1083 -4.1083 1.6140 1.6140 1.8683 1.8683 4.9569 4.9569 5.0594 5.0594 6.1940 6.1940 6.3618 6.3618 6.7663 6.7663 6.9183 6.9183 8.5381 8.5381 8.8480 8.8480 9.4309 9.4309 9.5741 9.5741 k = 0.5397 0.1034-0.3067 ( 4885 PWs) bands (ev): -33.8447 -33.8447 -33.8447 -33.8447 -15.1224 -15.1224 -15.1212 -15.1212 -14.7678 -14.7678 -14.7664 -14.7664 -14.7071 -14.7071 -14.7066 -14.7066 -4.3138 -4.3138 -4.1387 -4.1387 1.6086 1.6086 1.8640 1.8640 5.1103 5.1103 5.2130 5.2130 6.2511 6.2511 6.4089 6.4089 6.7791 6.7791 6.9100 6.9100 8.5494 8.5494 8.8824 8.8824 9.4376 9.4376 9.5530 9.5530 k = 0.5361 0.1027-0.2737 ( 4883 PWs) bands (ev): -33.8449 -33.8449 -33.8449 -33.8449 -15.1218 -15.1218 -15.1206 -15.1206 -14.7673 -14.7673 -14.7658 -14.7658 -14.7056 -14.7056 -14.7050 -14.7050 -4.3418 -4.3418 -4.1665 -4.1665 1.6023 1.6023 1.8586 1.8586 5.2648 5.2648 5.3693 5.3693 6.3065 6.3065 6.4537 6.4537 6.7895 6.7895 6.9009 6.9009 8.5442 8.5442 8.9078 8.9078 9.4331 9.4331 9.5325 9.5325 k = 0.5325 0.1020-0.2406 ( 4880 PWs) bands (ev): -33.8451 -33.8451 -33.8451 -33.8451 -15.1213 -15.1213 -15.1201 -15.1201 -14.7668 -14.7668 -14.7654 -14.7654 -14.7042 -14.7042 -14.7036 -14.7036 -4.3672 -4.3672 -4.1917 -4.1917 1.5954 1.5954 1.8526 1.8526 5.4194 5.4194 5.5268 5.5268 6.3598 6.3598 6.4958 6.4958 6.7977 6.7977 6.8912 6.8912 8.5200 8.5200 8.9176 8.9176 9.4190 9.4190 9.5141 9.5141 k = 0.5289 0.1014-0.2076 ( 4884 PWs) bands (ev): -33.8453 -33.8453 -33.8452 -33.8452 -15.1208 -15.1208 -15.1196 -15.1196 -14.7664 -14.7664 -14.7650 -14.7650 -14.7029 -14.7029 -14.7023 -14.7023 -4.3900 -4.3900 -4.2143 -4.2143 1.5884 1.5884 1.8462 1.8462 5.5728 5.5728 5.6842 5.6842 6.4103 6.4103 6.5346 6.5346 6.8034 6.8034 6.8812 6.8812 8.4754 8.4754 8.9063 8.9063 9.4004 9.4004 9.4979 9.4979 k = 0.5253 0.1007-0.1746 ( 4882 PWs) bands (ev): -33.8454 -33.8454 -33.8454 -33.8454 -15.1204 -15.1204 -15.1192 -15.1192 -14.7661 -14.7661 -14.7646 -14.7646 -14.7018 -14.7018 -14.7012 -14.7012 -4.4101 -4.4101 -4.2342 -4.2342 1.5816 1.5816 1.8400 1.8400 5.7237 5.7237 5.8398 5.8398 6.4576 6.4576 6.5698 6.5698 6.8063 6.8063 6.8712 6.8712 8.4109 8.4109 8.8721 8.8721 9.3826 9.3826 9.4820 9.4820 k = 0.5217 0.1000-0.1415 ( 4878 PWs) bands (ev): -33.8455 -33.8455 -33.8455 -33.8455 -15.1200 -15.1200 -15.1189 -15.1189 -14.7658 -14.7658 -14.7643 -14.7643 -14.7007 -14.7007 -14.7001 -14.7001 -4.4276 -4.4276 -4.2515 -4.2515 1.5752 1.5752 1.8340 1.8340 5.8702 5.8702 5.9916 5.9916 6.5008 6.5008 6.6010 6.6010 6.8056 6.8056 6.8617 6.8617 8.3298 8.3298 8.8186 8.8186 9.3681 9.3682 9.4667 9.4667 k = 0.5181 0.0993-0.1085 ( 4873 PWs) bands (ev): -33.8456 -33.8456 -33.8456 -33.8456 -15.1197 -15.1197 -15.1186 -15.1186 -14.7655 -14.7655 -14.7641 -14.7641 -14.6998 -14.6998 -14.6993 -14.6993 -4.4423 -4.4423 -4.2661 -4.2661 1.5695 1.5695 1.8286 1.8286 6.0102 6.0102 6.1371 6.1371 6.5393 6.5393 6.6280 6.6280 6.8001 6.8001 6.8532 6.8532 8.2377 8.2377 8.7528 8.7528 9.3573 9.3573 9.4537 9.4537 k = 0.5144 0.0986-0.0755 ( 4866 PWs) bands (ev): -33.8457 -33.8457 -33.8457 -33.8457 -15.1195 -15.1195 -15.1183 -15.1183 -14.7653 -14.7653 -14.7638 -14.7638 -14.6991 -14.6991 -14.6985 -14.6985 -4.4544 -4.4544 -4.2781 -4.2781 1.5646 1.5646 1.8240 1.8240 6.1409 6.1409 6.2723 6.2723 6.5719 6.5719 6.6513 6.6513 6.7895 6.7895 6.8450 6.8450 8.1415 8.1415 8.6831 8.6831 9.3492 9.3492 9.4440 9.4440 k = 0.5108 0.0979-0.0424 ( 4865 PWs) bands (ev): -33.8458 -33.8458 -33.8458 -33.8458 -15.1193 -15.1193 -15.1181 -15.1181 -14.7651 -14.7651 -14.7637 -14.7637 -14.6985 -14.6985 -14.6979 -14.6979 -4.4638 -4.4638 -4.2875 -4.2875 1.5607 1.5607 1.8202 1.8202 6.2588 6.2588 6.3911 6.3911 6.5971 6.5971 6.6728 6.6728 6.7742 6.7742 6.8352 6.8352 8.0495 8.0495 8.6175 8.6175 9.3431 9.3431 9.4375 9.4375 k = 0.5072 0.0972-0.0094 ( 4860 PWs) bands (ev): -33.8458 -33.8458 -33.8458 -33.8458 -15.1192 -15.1192 -15.1179 -15.1179 -14.7650 -14.7650 -14.7635 -14.7635 -14.6980 -14.6980 -14.6975 -14.6975 -4.4706 -4.4706 -4.2941 -4.2941 1.5578 1.5578 1.8175 1.8175 6.3597 6.3597 6.4825 6.4825 6.6146 6.6146 6.6964 6.6964 6.7565 6.7565 6.8208 6.8208 7.9714 7.9714 8.5638 8.5638 9.3385 9.3385 9.4339 9.4339 k = 0.5036 0.0965 0.0236 ( 4862 PWs) bands (ev): -33.8459 -33.8459 -33.8459 -33.8459 -15.1191 -15.1191 -15.1179 -15.1179 -14.7649 -14.7649 -14.7635 -14.7635 -14.6978 -14.6978 -14.6972 -14.6972 -4.4746 -4.4746 -4.2981 -4.2981 1.5560 1.5560 1.8158 1.8158 6.4370 6.4370 6.5282 6.5282 6.6280 6.6280 6.7275 6.7275 6.7407 6.7407 6.7983 6.7983 7.9181 7.9181 8.5285 8.5285 9.3356 9.3356 9.4321 9.4321 k = 0.5000 0.0958 0.0567 ( 4854 PWs) bands (ev): -33.8459 -33.8459 -33.8459 -33.8459 -15.1191 -15.1191 -15.1178 -15.1178 -14.7649 -14.7649 -14.7634 -14.7634 -14.6977 -14.6977 -14.6971 -14.6971 -4.4759 -4.4759 -4.2995 -4.2995 1.5554 1.5554 1.8153 1.8153 6.4722 6.4722 6.5326 6.5326 6.6354 6.6354 6.7337 6.7337 6.7593 6.7593 6.7713 6.7713 7.8990 7.8990 8.5161 8.5161 9.3346 9.3346 9.4317 9.4317 k = 0.5000-1.2566-0.7433 ( 4936 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1517 -15.1517 -15.1503 -15.1503 -14.7998 -14.7998 -14.7978 -14.7978 -14.7455 -14.7455 -14.7442 -14.7442 -2.3356 -2.3356 -2.1920 -2.1920 -0.6118 -0.6118 -0.4472 -0.4472 4.0305 4.0305 4.1409 4.1409 4.9563 4.9563 5.1270 5.1270 5.6684 5.6684 5.8932 5.8932 7.8364 7.8364 7.8575 7.8575 8.1243 8.1243 9.4820 9.4820 k = 0.5296-1.2479-0.7381 ( 4926 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1517 -15.1517 -15.1503 -15.1503 -14.7997 -14.7997 -14.7978 -14.7978 -14.7454 -14.7454 -14.7442 -14.7442 -2.3357 -2.3357 -2.1919 -2.1919 -0.6119 -0.6119 -0.4470 -0.4470 4.0304 4.0304 4.1427 4.1427 4.9557 4.9557 5.1277 5.1277 5.6680 5.6680 5.8888 5.8888 7.8077 7.8077 7.8923 7.8923 8.1255 8.1255 9.4809 9.4809 k = 0.5591-1.2392-0.7330 ( 4928 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1517 -15.1517 -15.1503 -15.1503 -14.7997 -14.7997 -14.7978 -14.7978 -14.7454 -14.7454 -14.7442 -14.7442 -2.3362 -2.3362 -2.1918 -2.1918 -0.6122 -0.6122 -0.4466 -0.4466 4.0300 4.0300 4.1483 4.1483 4.9538 4.9538 5.1300 5.1300 5.6667 5.6667 5.8761 5.8761 7.7766 7.7766 7.9407 7.9407 8.1300 8.1300 9.4775 9.4775 k = 0.5887-1.2305-0.7278 ( 4920 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1517 -15.1517 -15.1503 -15.1503 -14.7997 -14.7997 -14.7978 -14.7978 -14.7454 -14.7454 -14.7442 -14.7442 -2.3369 -2.3369 -2.1915 -2.1915 -0.6126 -0.6126 -0.4459 -0.4459 4.0293 4.0293 4.1574 4.1574 4.9508 4.9508 5.1335 5.1335 5.6641 5.6641 5.8560 5.8560 7.7507 7.7507 7.9909 7.9909 8.1412 8.1412 9.4718 9.4718 k = 0.6182-1.2218-0.7227 ( 4925 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1516 -15.1516 -15.1504 -15.1504 -14.7996 -14.7996 -14.7979 -14.7979 -14.7454 -14.7454 -14.7442 -14.7442 -2.3379 -2.3379 -2.1913 -2.1913 -0.6131 -0.6131 -0.4450 -0.4450 4.0284 4.0284 4.1698 4.1698 4.9469 4.9469 5.1380 5.1380 5.6598 5.6598 5.8302 5.8302 7.7296 7.7296 8.0342 8.0342 8.1672 8.1672 9.4635 9.4635 k = 0.6478-1.2131-0.7175 ( 4929 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1516 -15.1516 -15.1504 -15.1504 -14.7996 -14.7996 -14.7979 -14.7979 -14.7454 -14.7454 -14.7442 -14.7442 -2.3391 -2.3391 -2.1911 -2.1911 -0.6137 -0.6137 -0.4438 -0.4438 4.0273 4.0273 4.1853 4.1853 4.9425 4.9425 5.1434 5.1434 5.6527 5.6527 5.8014 5.8014 7.7125 7.7125 8.0613 8.0613 8.2169 8.2169 9.4526 9.4526 k = 0.6773-1.2044-0.7124 ( 4927 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1516 -15.1516 -15.1504 -15.1504 -14.7995 -14.7995 -14.7979 -14.7979 -14.7453 -14.7453 -14.7443 -14.7443 -2.3405 -2.3405 -2.1909 -2.1909 -0.6142 -0.6142 -0.4424 -0.4424 4.0260 4.0260 4.2034 4.2034 4.9376 4.9376 5.1492 5.1492 5.6409 5.6409 5.7729 5.7729 7.6984 7.6985 8.0749 8.0749 8.2868 8.2868 9.4392 9.4392 k = 0.7069-1.1957-0.7072 ( 4924 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1515 -15.1515 -15.1504 -15.1504 -14.7995 -14.7995 -14.7980 -14.7980 -14.7453 -14.7453 -14.7443 -14.7443 -2.3421 -2.3421 -2.1908 -2.1908 -0.6147 -0.6147 -0.4407 -0.4407 4.0245 4.0245 4.2237 4.2237 4.9327 4.9327 5.1552 5.1552 5.6221 5.6221 5.7486 5.7486 7.6869 7.6869 8.0823 8.0823 8.3688 8.3688 9.4236 9.4236 k = 0.7364-1.1869-0.7021 ( 4919 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1514 -15.1514 -15.1505 -15.1505 -14.7994 -14.7994 -14.7980 -14.7980 -14.7452 -14.7452 -14.7443 -14.7443 -2.3438 -2.3438 -2.1909 -2.1909 -0.6149 -0.6149 -0.4389 -0.4389 4.0228 4.0228 4.2457 4.2457 4.9277 4.9277 5.1612 5.1612 5.5955 5.5955 5.7312 5.7312 7.6772 7.6772 8.0875 8.0875 8.4578 8.4578 9.4061 9.4061 k = 0.7660-1.1782-0.6969 ( 4923 PWs) bands (ev): -33.8371 -33.8371 -33.8370 -33.8370 -15.1514 -15.1514 -15.1505 -15.1505 -14.7993 -14.7993 -14.7981 -14.7981 -14.7452 -14.7452 -14.7444 -14.7444 -2.3455 -2.3455 -2.1913 -2.1913 -0.6149 -0.6149 -0.4370 -0.4370 4.0208 4.0208 4.2686 4.2686 4.9230 4.9230 5.1670 5.1670 5.5634 5.5634 5.7200 5.7200 7.6688 7.6688 8.0918 8.0918 8.5509 8.5509 9.3876 9.3876 k = 0.7955-1.1695-0.6918 ( 4922 PWs) bands (ev): -33.8371 -33.8371 -33.8371 -33.8371 -15.1513 -15.1513 -15.1506 -15.1506 -14.7992 -14.7992 -14.7981 -14.7981 -14.7452 -14.7452 -14.7444 -14.7444 -2.3474 -2.3474 -2.1919 -2.1919 -0.6146 -0.6146 -0.4349 -0.4349 4.0184 4.0184 4.2916 4.2916 4.9187 4.9187 5.1724 5.1724 5.5293 5.5293 5.7131 5.7131 7.6616 7.6616 8.0958 8.0958 8.6459 8.6459 9.3691 9.3691 k = 0.8251-1.1608-0.6866 ( 4929 PWs) bands (ev): -33.8371 -33.8371 -33.8371 -33.8371 -15.1513 -15.1513 -15.1506 -15.1506 -14.7991 -14.7991 -14.7982 -14.7982 -14.7451 -14.7451 -14.7445 -14.7445 -2.3493 -2.3493 -2.1929 -2.1929 -0.6138 -0.6138 -0.4327 -0.4327 4.0157 4.0157 4.3139 4.3139 4.9148 4.9148 5.1772 5.1772 5.4966 5.4966 5.7088 5.7088 7.6552 7.6552 8.0993 8.0993 8.7401 8.7401 9.3520 9.3520 Writing output data file CaGe2.save init_run : 0.42s CPU 1.10s WALL ( 1 calls) electrons : 604.13s CPU 608.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.34s WALL ( 1 calls) potinit : 0.08s CPU 0.18s WALL ( 1 calls) Called by electrons: c_bands : 604.12s CPU 608.26s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 294 calls) cegterg : 559.02s CPU 562.13s WALL ( 698 calls) Called by sum_band: Called by *egterg: h_psi : 508.10s CPU 510.44s WALL ( 12017 calls) s_psi : 4.79s CPU 4.88s WALL ( 12017 calls) g_psi : 0.34s CPU 0.33s WALL ( 11025 calls) cdiaghg : 65.70s CPU 66.54s WALL ( 11319 calls) cegterg:over : 7.73s CPU 7.83s WALL ( 11025 calls) cegterg:upda : 8.47s CPU 8.52s WALL ( 11025 calls) cegterg:last : 3.08s CPU 3.13s WALL ( 1653 calls) cdiaghg:chol : 4.01s CPU 3.85s WALL ( 11319 calls) cdiaghg:inve : 2.32s CPU 2.23s WALL ( 11319 calls) cdiaghg:para : 3.68s CPU 3.74s WALL ( 22638 calls) Called by h_psi: h_psi:vloc : 495.16s CPU 497.29s WALL ( 12017 calls) h_psi:vnl : 12.61s CPU 12.83s WALL ( 12017 calls) add_vuspsi : 5.91s CPU 6.10s WALL ( 12017 calls) General routines calbec : 6.67s CPU 6.69s WALL ( 12017 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 462.22s CPU 464.12s WALL ( 911292 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.21s CPU 0.19s WALL ( 588 calls) Parallel routines fft_scatter : 71.84s CPU 71.90s WALL ( 911315 calls) PWSCF : 10m18.20s CPU 10m44.91s WALL This run was terminated on: 17: 6:25 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=