Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:25: 4 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: ./Zr3Fe.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 34 29 8 1866 1429 226 Max 35 30 9 1875 1449 231 Sum 1237 1045 307 67313 51803 8215 bravais-lattice index = 14 lattice parameter (alat) = 10.8261 a.u. unit-cell volume = 1084.4221 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.826093 celldm(2)= 1.000000 celldm(3)= 1.540429 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.831980 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.831980 0.554806 0.000000 ) a(3) = ( 0.000000 0.000000 1.540429 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.499586 -0.000000 ) b(2) = ( 0.000000 1.802431 -0.000000 ) b(3) = ( 0.000000 0.000000 0.649170 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Zr 4.00 91.22400 Zr( 1.00) Fe 8.00 55.84500 Fe( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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= 362 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 2) = ( 0.0052486 0.0173311 -0.0000000), wk = 0.0027624 k( 3) = ( 0.0104973 0.0346621 -0.0000000), wk = 0.0027624 k( 4) = ( 0.0157459 0.0519932 -0.0000000), wk = 0.0027624 k( 5) = ( 0.0209945 0.0693243 -0.0000000), wk = 0.0027624 k( 6) = ( 0.0262431 0.0866553 -0.0000000), wk = 0.0027624 k( 7) = ( 0.0314918 0.1039864 -0.0000000), wk = 0.0027624 k( 8) = ( 0.0367404 0.1213175 -0.0000000), wk = 0.0027624 k( 9) = ( 0.0419890 0.1386486 -0.0000000), wk = 0.0027624 k( 10) = ( 0.0472377 0.1559796 -0.0000000), wk = 0.0027624 k( 11) = ( 0.0524863 0.1733107 -0.0000000), wk = 0.0027624 k( 12) = ( 0.0577349 0.1906418 -0.0000000), wk = 0.0027624 k( 13) = ( 0.0629836 0.2079728 -0.0000000), wk = 0.0027624 k( 14) = ( 0.0682322 0.2253039 -0.0000000), wk = 0.0027624 k( 15) = ( 0.0734808 0.2426350 -0.0000000), wk = 0.0027624 k( 16) = ( 0.0787295 0.2599661 -0.0000000), wk = 0.0027624 k( 17) = ( 0.0839781 0.2772971 -0.0000000), wk = 0.0027624 k( 18) = ( 0.0892267 0.2946282 -0.0000000), wk = 0.0027624 k( 19) = ( 0.0944753 0.3119593 -0.0000000), wk = 0.0027624 k( 20) = ( 0.0997240 0.3292903 -0.0000000), wk = 0.0027624 k( 21) = ( 0.1049726 0.3466214 -0.0000000), wk = 0.0027624 k( 22) = ( 0.1102213 0.3639525 -0.0000000), wk = 0.0027624 k( 23) = ( 0.1154699 0.3812836 -0.0000000), wk = 0.0027624 k( 24) = ( 0.1207185 0.3986146 -0.0000000), wk = 0.0027624 k( 25) = ( 0.1259671 0.4159457 -0.0000000), wk = 0.0027624 k( 26) = ( 0.1312158 0.4332768 -0.0000000), wk = 0.0027624 k( 27) = ( 0.1364644 0.4506078 -0.0000000), wk = 0.0027624 k( 28) = ( 0.1417130 0.4679389 -0.0000000), wk = 0.0027624 k( 29) = ( 0.1469617 0.4852700 -0.0000000), wk = 0.0027624 k( 30) = ( 0.1522103 0.5026010 -0.0000000), wk = 0.0027624 k( 31) = ( 0.1574589 0.5199321 -0.0000000), wk = 0.0027624 k( 32) = ( 0.1627076 0.5372632 -0.0000000), wk = 0.0027624 k( 33) = ( 0.1679562 0.5545942 -0.0000000), wk = 0.0027624 k( 34) = ( 0.1732048 0.5719253 -0.0000000), wk = 0.0027624 k( 35) = ( 0.1784534 0.5892564 -0.0000000), wk = 0.0027624 k( 36) = ( 0.1837021 0.6065875 -0.0000000), wk = 0.0027624 k( 37) = ( 0.1889507 0.6239185 -0.0000000), wk = 0.0027624 k( 38) = ( 0.1941993 0.6412496 -0.0000000), wk = 0.0027624 k( 39) = ( 0.1994480 0.6585807 -0.0000000), wk = 0.0027624 k( 40) = ( 0.2046966 0.6759117 -0.0000000), wk = 0.0027624 k( 41) = ( 0.2099452 0.6932428 -0.0000000), wk = 0.0027624 k( 42) = ( 0.2151939 0.7105739 -0.0000000), wk = 0.0027624 k( 43) = ( 0.2204425 0.7279050 -0.0000000), wk = 0.0027624 k( 44) = ( 0.2256911 0.7452360 -0.0000000), wk = 0.0027624 k( 45) = ( 0.2309397 0.7625671 -0.0000000), wk = 0.0027624 k( 46) = ( 0.2361884 0.7798982 -0.0000000), wk = 0.0027624 k( 47) = ( 0.2414370 0.7972292 -0.0000000), wk = 0.0027624 k( 48) = ( 0.2466856 0.8145603 -0.0000000), wk = 0.0027624 k( 49) = ( 0.2519343 0.8318914 -0.0000000), wk = 0.0027624 k( 50) = ( 0.2571829 0.8492225 -0.0000000), wk = 0.0027624 k( 51) = ( 0.2624315 0.8665535 -0.0000000), wk = 0.0027624 k( 52) = ( 0.2676802 0.8838846 -0.0000000), wk = 0.0027624 k( 53) = ( 0.2729288 0.9012157 -0.0000000), wk = 0.0027624 k( 54) = ( 0.2729288 0.9012157 -0.0000000), wk = 0.0027624 k( 55) = ( 0.2547335 0.9012157 -0.0000000), wk = 0.0027624 k( 56) = ( 0.2365383 0.9012157 -0.0000000), wk = 0.0027624 k( 57) = ( 0.2183430 0.9012157 -0.0000000), wk = 0.0027624 k( 58) = ( 0.2001478 0.9012157 -0.0000000), wk = 0.0027624 k( 59) = ( 0.1819525 0.9012157 -0.0000000), wk = 0.0027624 k( 60) = ( 0.1637573 0.9012157 -0.0000000), wk = 0.0027624 k( 61) = ( 0.1455620 0.9012157 -0.0000000), wk = 0.0027624 k( 62) = ( 0.1273668 0.9012157 -0.0000000), wk = 0.0027624 k( 63) = ( 0.1091715 0.9012157 -0.0000000), wk = 0.0027624 k( 64) = ( 0.0909763 0.9012157 -0.0000000), wk = 0.0027624 k( 65) = ( 0.0727810 0.9012157 -0.0000000), wk = 0.0027624 k( 66) = ( 0.0545858 0.9012157 -0.0000000), wk = 0.0027624 k( 67) = ( 0.0363905 0.9012157 -0.0000000), wk = 0.0027624 k( 68) = ( 0.0181952 0.9012157 -0.0000000), wk = 0.0027624 k( 69) = ( 0.0000000 0.9012157 -0.0000000), wk = 0.0027624 k( 70) = ( 0.0000000 0.9012157 -0.0000000), wk = 0.0027624 k( 71) = ( 0.0000000 0.9012157 0.0180325), wk = 0.0027624 k( 72) = ( 0.0000000 0.9012157 0.0360650), wk = 0.0027624 k( 73) = ( 0.0000000 0.9012157 0.0540975), wk = 0.0027624 k( 74) = ( 0.0000000 0.9012157 0.0721300), wk = 0.0027624 k( 75) = ( 0.0000000 0.9012157 0.0901625), wk = 0.0027624 k( 76) = ( 0.0000000 0.9012157 0.1081949), wk = 0.0027624 k( 77) = ( 0.0000000 0.9012157 0.1262274), wk = 0.0027624 k( 78) = ( 0.0000000 0.9012157 0.1442599), wk = 0.0027624 k( 79) = ( 0.0000000 0.9012157 0.1622924), wk = 0.0027624 k( 80) = ( 0.0000000 0.9012157 0.1803249), wk = 0.0027624 k( 81) = ( 0.0000000 0.9012157 0.1983574), wk = 0.0027624 k( 82) = ( 0.0000000 0.9012157 0.2163899), wk = 0.0027624 k( 83) = ( 0.0000000 0.9012157 0.2344224), wk = 0.0027624 k( 84) = ( 0.0000000 0.9012157 0.2524549), wk = 0.0027624 k( 85) = ( 0.0000000 0.9012157 0.2704874), wk = 0.0027624 k( 86) = ( 0.0000000 0.9012157 0.2885198), wk = 0.0027624 k( 87) = ( 0.0000000 0.9012157 0.3065523), wk = 0.0027624 k( 88) = ( 0.0000000 0.9012157 0.3245848), wk = 0.0027624 k( 89) = ( 0.0000000 0.9012157 0.3245848), wk = 0.0027624 k( 90) = ( 0.0181952 0.9012157 0.3245848), wk = 0.0027624 k( 91) = ( 0.0363905 0.9012157 0.3245848), wk = 0.0027624 k( 92) = ( 0.0545858 0.9012157 0.3245848), wk = 0.0027624 k( 93) = ( 0.0727810 0.9012157 0.3245848), wk = 0.0027624 k( 94) = ( 0.0909763 0.9012157 0.3245848), wk = 0.0027624 k( 95) = ( 0.1091715 0.9012157 0.3245848), wk = 0.0027624 k( 96) = ( 0.1273668 0.9012157 0.3245848), wk = 0.0027624 k( 97) = ( 0.1455620 0.9012157 0.3245848), wk = 0.0027624 k( 98) = ( 0.1637573 0.9012157 0.3245848), wk = 0.0027624 k( 99) = ( 0.1819525 0.9012157 0.3245848), wk = 0.0027624 k( 100) = ( 0.2001478 0.9012157 0.3245848), wk = 0.0027624 k( 101) = ( 0.2183430 0.9012157 0.3245848), wk = 0.0027624 k( 102) = ( 0.2365383 0.9012157 0.3245848), wk = 0.0027624 k( 103) = ( 0.2547335 0.9012157 0.3245848), wk = 0.0027624 k( 104) = ( 0.2729288 0.9012157 0.3245848), wk = 0.0027624 k( 105) = ( 0.2729288 0.9012157 0.3245848), wk = 0.0027624 k( 106) = ( 0.2676802 0.8838846 0.3245848), wk = 0.0027624 k( 107) = ( 0.2624315 0.8665535 0.3245848), wk = 0.0027624 k( 108) = ( 0.2571829 0.8492225 0.3245848), wk = 0.0027624 k( 109) = ( 0.2519343 0.8318914 0.3245848), wk = 0.0027624 k( 110) = ( 0.2466856 0.8145603 0.3245848), wk = 0.0027624 k( 111) = ( 0.2414370 0.7972292 0.3245848), wk = 0.0027624 k( 112) = ( 0.2361884 0.7798982 0.3245848), wk = 0.0027624 k( 113) = ( 0.2309397 0.7625671 0.3245848), wk = 0.0027624 k( 114) = ( 0.2256911 0.7452360 0.3245848), wk = 0.0027624 k( 115) = ( 0.2204425 0.7279050 0.3245848), wk = 0.0027624 k( 116) = ( 0.2151939 0.7105739 0.3245848), wk = 0.0027624 k( 117) = ( 0.2099452 0.6932428 0.3245848), wk = 0.0027624 k( 118) = ( 0.2046966 0.6759117 0.3245848), wk = 0.0027624 k( 119) = ( 0.1994480 0.6585807 0.3245848), wk = 0.0027624 k( 120) = ( 0.1941993 0.6412496 0.3245848), wk = 0.0027624 k( 121) = ( 0.1889507 0.6239185 0.3245848), wk = 0.0027624 k( 122) = ( 0.1837021 0.6065875 0.3245848), wk = 0.0027624 k( 123) = ( 0.1784534 0.5892564 0.3245848), wk = 0.0027624 k( 124) = ( 0.1732048 0.5719253 0.3245848), wk = 0.0027624 k( 125) = ( 0.1679562 0.5545942 0.3245848), wk = 0.0027624 k( 126) = ( 0.1627076 0.5372632 0.3245848), wk = 0.0027624 k( 127) = ( 0.1574589 0.5199321 0.3245848), wk = 0.0027624 k( 128) = ( 0.1522103 0.5026010 0.3245848), wk = 0.0027624 k( 129) = ( 0.1469617 0.4852700 0.3245848), wk = 0.0027624 k( 130) = ( 0.1417130 0.4679389 0.3245848), wk = 0.0027624 k( 131) = ( 0.1364644 0.4506078 0.3245848), wk = 0.0027624 k( 132) = ( 0.1312158 0.4332768 0.3245848), wk = 0.0027624 k( 133) = ( 0.1259671 0.4159457 0.3245848), wk = 0.0027624 k( 134) = ( 0.1207185 0.3986146 0.3245848), wk = 0.0027624 k( 135) = ( 0.1154699 0.3812836 0.3245848), wk = 0.0027624 k( 136) = ( 0.1102213 0.3639525 0.3245848), wk = 0.0027624 k( 137) = ( 0.1049726 0.3466214 0.3245848), wk = 0.0027624 k( 138) = ( 0.0997240 0.3292903 0.3245848), wk = 0.0027624 k( 139) = ( 0.0944753 0.3119593 0.3245848), wk = 0.0027624 k( 140) = ( 0.0892267 0.2946282 0.3245848), wk = 0.0027624 k( 141) = ( 0.0839781 0.2772971 0.3245848), wk = 0.0027624 k( 142) = ( 0.0787295 0.2599661 0.3245848), wk = 0.0027624 k( 143) = ( 0.0734808 0.2426350 0.3245848), wk = 0.0027624 k( 144) = ( 0.0682322 0.2253039 0.3245848), wk = 0.0027624 k( 145) = ( 0.0629836 0.2079728 0.3245848), wk = 0.0027624 k( 146) = ( 0.0577349 0.1906418 0.3245848), wk = 0.0027624 k( 147) = ( 0.0524863 0.1733107 0.3245848), wk = 0.0027624 k( 148) = ( 0.0472377 0.1559796 0.3245848), wk = 0.0027624 k( 149) = ( 0.0419890 0.1386486 0.3245848), wk = 0.0027624 k( 150) = ( 0.0367404 0.1213175 0.3245848), wk = 0.0027624 k( 151) = ( 0.0314918 0.1039864 0.3245848), wk = 0.0027624 k( 152) = ( 0.0262431 0.0866553 0.3245848), wk = 0.0027624 k( 153) = ( 0.0209945 0.0693243 0.3245848), wk = 0.0027624 k( 154) = ( 0.0157459 0.0519932 0.3245848), wk = 0.0027624 k( 155) = ( 0.0104973 0.0346621 0.3245848), wk = 0.0027624 k( 156) = ( 0.0052486 0.0173311 0.3245848), wk = 0.0027624 k( 157) = ( 0.0000000 0.0000000 0.3245848), wk = 0.0027624 k( 158) = ( 0.0000000 0.0000000 0.3245848), wk = 0.0027624 k( 159) = ( 0.0000000 0.0000000 0.3065523), wk = 0.0027624 k( 160) = ( 0.0000000 0.0000000 0.2885198), wk = 0.0027624 k( 161) = ( 0.0000000 0.0000000 0.2704874), wk = 0.0027624 k( 162) = ( 0.0000000 0.0000000 0.2524549), wk = 0.0027624 k( 163) = ( 0.0000000 0.0000000 0.2344224), wk = 0.0027624 k( 164) = ( 0.0000000 0.0000000 0.2163899), wk = 0.0027624 k( 165) = ( 0.0000000 0.0000000 0.1983574), wk = 0.0027624 k( 166) = ( 0.0000000 0.0000000 0.1803249), wk = 0.0027624 k( 167) = ( 0.0000000 0.0000000 0.1622924), wk = 0.0027624 k( 168) = ( 0.0000000 0.0000000 0.1442599), wk = 0.0027624 k( 169) = ( 0.0000000 0.0000000 0.1262274), wk = 0.0027624 k( 170) = ( 0.0000000 0.0000000 0.1081949), wk = 0.0027624 k( 171) = ( 0.0000000 0.0000000 0.0901625), wk = 0.0027624 k( 172) = ( 0.0000000 0.0000000 0.0721300), wk = 0.0027624 k( 173) = ( 0.0000000 0.0000000 0.0540975), wk = 0.0027624 k( 174) = ( 0.0000000 0.0000000 0.0360650), wk = 0.0027624 k( 175) = ( 0.0000000 0.0000000 0.0180325), wk = 0.0027624 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 178) = ( -0.0172414 0.0052215 0.0000000), wk = 0.0027624 k( 179) = ( -0.0344828 0.0104429 0.0000000), wk = 0.0027624 k( 180) = ( -0.0517241 0.0156644 0.0000000), wk = 0.0027624 k( 181) = ( -0.0689655 0.0208859 0.0000000), wk = 0.0027624 k( 182) = ( -0.0862069 0.0261073 0.0000000), wk = 0.0027624 k( 183) = ( -0.1034483 0.0313288 0.0000000), wk = 0.0027624 k( 184) = ( -0.1206897 0.0365503 0.0000000), wk = 0.0027624 k( 185) = ( -0.1379310 0.0417717 0.0000000), wk = 0.0027624 k( 186) = ( -0.1551724 0.0469932 0.0000000), wk = 0.0027624 k( 187) = ( -0.1724138 0.0522147 0.0000000), wk = 0.0027624 k( 188) = ( -0.1896552 0.0574361 0.0000000), wk = 0.0027624 k( 189) = ( -0.2068966 0.0626576 0.0000000), wk = 0.0027624 k( 190) = ( -0.2241379 0.0678791 0.0000000), wk = 0.0027624 k( 191) = ( -0.2413793 0.0731006 0.0000000), wk = 0.0027624 k( 192) = ( -0.2586207 0.0783220 0.0000000), wk = 0.0027624 k( 193) = ( -0.2758621 0.0835435 0.0000000), wk = 0.0027624 k( 194) = ( -0.2931034 0.0887650 0.0000000), wk = 0.0027624 k( 195) = ( -0.3103448 0.0939864 0.0000000), wk = 0.0027624 k( 196) = ( -0.3275862 0.0992079 0.0000000), wk = 0.0027624 k( 197) = ( -0.3448276 0.1044294 0.0000000), wk = 0.0027624 k( 198) = ( -0.3620690 0.1096508 0.0000000), wk = 0.0027624 k( 199) = ( -0.3793103 0.1148723 0.0000000), wk = 0.0027624 k( 200) = ( -0.3965517 0.1200938 0.0000000), wk = 0.0027624 k( 201) = ( -0.4137931 0.1253152 0.0000000), wk = 0.0027624 k( 202) = ( -0.4310345 0.1305367 0.0000000), wk = 0.0027624 k( 203) = ( -0.4482759 0.1357582 0.0000000), wk = 0.0027624 k( 204) = ( -0.4655172 0.1409796 0.0000000), wk = 0.0027624 k( 205) = ( -0.4827586 0.1462011 0.0000000), wk = 0.0027624 k( 206) = ( -0.5000000 0.1514226 0.0000000), wk = 0.0027624 k( 207) = ( -0.5000000 0.1514226 0.0000000), wk = 0.0027624 k( 208) = ( -0.4947193 0.1688596 -0.0000000), wk = 0.0027624 k( 209) = ( -0.4894386 0.1862967 -0.0000000), wk = 0.0027624 k( 210) = ( -0.4841578 0.2037337 -0.0000000), wk = 0.0027624 k( 211) = ( -0.4788771 0.2211708 -0.0000000), wk = 0.0027624 k( 212) = ( -0.4735964 0.2386078 -0.0000000), wk = 0.0027624 k( 213) = ( -0.4683157 0.2560449 -0.0000000), wk = 0.0027624 k( 214) = ( -0.4630349 0.2734819 -0.0000000), wk = 0.0027624 k( 215) = ( -0.4577542 0.2909190 -0.0000000), wk = 0.0027624 k( 216) = ( -0.4524735 0.3083560 -0.0000000), wk = 0.0027624 k( 217) = ( -0.4471927 0.3257931 -0.0000000), wk = 0.0027624 k( 218) = ( -0.4419120 0.3432301 -0.0000000), wk = 0.0027624 k( 219) = ( -0.4366313 0.3606672 -0.0000000), wk = 0.0027624 k( 220) = ( -0.4313506 0.3781042 -0.0000000), wk = 0.0027624 k( 221) = ( -0.4260698 0.3955413 -0.0000000), wk = 0.0027624 k( 222) = ( -0.4207891 0.4129783 -0.0000000), wk = 0.0027624 k( 223) = ( -0.4155084 0.4304154 -0.0000000), wk = 0.0027624 k( 224) = ( -0.4102277 0.4478524 -0.0000000), wk = 0.0027624 k( 225) = ( -0.4049469 0.4652894 -0.0000000), wk = 0.0027624 k( 226) = ( -0.3996662 0.4827265 -0.0000000), wk = 0.0027624 k( 227) = ( -0.3943855 0.5001635 -0.0000000), wk = 0.0027624 k( 228) = ( -0.3891048 0.5176006 -0.0000000), wk = 0.0027624 k( 229) = ( -0.3838240 0.5350376 -0.0000000), wk = 0.0027624 k( 230) = ( -0.3785433 0.5524747 -0.0000000), wk = 0.0027624 k( 231) = ( -0.3732626 0.5699118 -0.0000000), wk = 0.0027624 k( 232) = ( -0.3679819 0.5873488 -0.0000000), wk = 0.0027624 k( 233) = ( -0.3627011 0.6047858 -0.0000000), wk = 0.0027624 k( 234) = ( -0.3574204 0.6222229 -0.0000000), wk = 0.0027624 k( 235) = ( -0.3521397 0.6396599 -0.0000000), wk = 0.0027624 k( 236) = ( -0.3468590 0.6570970 -0.0000000), wk = 0.0027624 k( 237) = ( -0.3415782 0.6745340 -0.0000000), wk = 0.0027624 k( 238) = ( -0.3362975 0.6919711 -0.0000000), wk = 0.0027624 k( 239) = ( -0.3310168 0.7094081 -0.0000000), wk = 0.0027624 k( 240) = ( -0.3257360 0.7268452 -0.0000000), wk = 0.0027624 k( 241) = ( -0.3204553 0.7442822 -0.0000000), wk = 0.0027624 k( 242) = ( -0.3151746 0.7617193 -0.0000000), wk = 0.0027624 k( 243) = ( -0.3098939 0.7791563 -0.0000000), wk = 0.0027624 k( 244) = ( -0.3046131 0.7965934 -0.0000000), wk = 0.0027624 k( 245) = ( -0.2993324 0.8140304 -0.0000000), wk = 0.0027624 k( 246) = ( -0.2940517 0.8314675 -0.0000000), wk = 0.0027624 k( 247) = ( -0.2887710 0.8489045 -0.0000000), wk = 0.0027624 k( 248) = ( -0.2834902 0.8663416 -0.0000000), wk = 0.0027624 k( 249) = ( -0.2782095 0.8837786 -0.0000000), wk = 0.0027624 k( 250) = ( -0.2729288 0.9012156 -0.0000000), wk = 0.0027624 k( 251) = ( -0.2729288 0.9012156 -0.0000000), wk = 0.0027624 k( 252) = ( -0.2729288 0.9012156 0.0180325), wk = 0.0027624 k( 253) = ( -0.2729288 0.9012156 0.0360650), wk = 0.0027624 k( 254) = ( -0.2729288 0.9012156 0.0540975), wk = 0.0027624 k( 255) = ( -0.2729288 0.9012156 0.0721300), wk = 0.0027624 k( 256) = ( -0.2729288 0.9012156 0.0901625), wk = 0.0027624 k( 257) = ( -0.2729288 0.9012156 0.1081949), wk = 0.0027624 k( 258) = ( -0.2729288 0.9012156 0.1262274), wk = 0.0027624 k( 259) = ( -0.2729288 0.9012156 0.1442599), wk = 0.0027624 k( 260) = ( -0.2729288 0.9012156 0.1622924), wk = 0.0027624 k( 261) = ( -0.2729288 0.9012156 0.1803249), wk = 0.0027624 k( 262) = ( -0.2729288 0.9012156 0.1983574), wk = 0.0027624 k( 263) = ( -0.2729288 0.9012156 0.2163899), wk = 0.0027624 k( 264) = ( -0.2729288 0.9012156 0.2344224), wk = 0.0027624 k( 265) = ( -0.2729288 0.9012156 0.2524549), wk = 0.0027624 k( 266) = ( -0.2729288 0.9012156 0.2704874), wk = 0.0027624 k( 267) = ( -0.2729288 0.9012156 0.2885198), wk = 0.0027624 k( 268) = ( -0.2729288 0.9012156 0.3065523), wk = 0.0027624 k( 269) = ( -0.2729288 0.9012156 0.3245848), wk = 0.0027624 k( 270) = ( -0.2729288 0.9012156 0.3245848), wk = 0.0027624 k( 271) = ( -0.2782095 0.8837786 0.3245848), wk = 0.0027624 k( 272) = ( -0.2834902 0.8663416 0.3245848), wk = 0.0027624 k( 273) = ( -0.2887710 0.8489045 0.3245848), wk = 0.0027624 k( 274) = ( -0.2940517 0.8314675 0.3245848), wk = 0.0027624 k( 275) = ( -0.2993324 0.8140304 0.3245848), wk = 0.0027624 k( 276) = ( -0.3046131 0.7965934 0.3245848), wk = 0.0027624 k( 277) = ( -0.3098939 0.7791563 0.3245848), wk = 0.0027624 k( 278) = ( -0.3151746 0.7617193 0.3245848), wk = 0.0027624 k( 279) = ( -0.3204553 0.7442822 0.3245848), wk = 0.0027624 k( 280) = ( -0.3257360 0.7268452 0.3245848), wk = 0.0027624 k( 281) = ( -0.3310168 0.7094081 0.3245848), wk = 0.0027624 k( 282) = ( -0.3362975 0.6919711 0.3245848), wk = 0.0027624 k( 283) = ( -0.3415782 0.6745340 0.3245848), wk = 0.0027624 k( 284) = ( -0.3468590 0.6570970 0.3245848), wk = 0.0027624 k( 285) = ( -0.3521397 0.6396599 0.3245848), wk = 0.0027624 k( 286) = ( -0.3574204 0.6222229 0.3245848), wk = 0.0027624 k( 287) = ( -0.3627011 0.6047858 0.3245848), wk = 0.0027624 k( 288) = ( -0.3679819 0.5873488 0.3245848), wk = 0.0027624 k( 289) = ( -0.3732626 0.5699118 0.3245848), wk = 0.0027624 k( 290) = ( -0.3785433 0.5524747 0.3245848), wk = 0.0027624 k( 291) = ( -0.3838240 0.5350376 0.3245848), wk = 0.0027624 k( 292) = ( -0.3891048 0.5176006 0.3245848), wk = 0.0027624 k( 293) = ( -0.3943855 0.5001635 0.3245848), wk = 0.0027624 k( 294) = ( -0.3996662 0.4827265 0.3245848), wk = 0.0027624 k( 295) = ( -0.4049469 0.4652894 0.3245848), wk = 0.0027624 k( 296) = ( -0.4102277 0.4478524 0.3245848), wk = 0.0027624 k( 297) = ( -0.4155084 0.4304154 0.3245848), wk = 0.0027624 k( 298) = ( -0.4207891 0.4129783 0.3245848), wk = 0.0027624 k( 299) = ( -0.4260698 0.3955413 0.3245848), wk = 0.0027624 k( 300) = ( -0.4313506 0.3781042 0.3245848), wk = 0.0027624 k( 301) = ( -0.4366313 0.3606672 0.3245848), wk = 0.0027624 k( 302) = ( -0.4419120 0.3432301 0.3245848), wk = 0.0027624 k( 303) = ( -0.4471927 0.3257931 0.3245848), wk = 0.0027624 k( 304) = ( -0.4524735 0.3083560 0.3245848), wk = 0.0027624 k( 305) = ( -0.4577542 0.2909190 0.3245848), wk = 0.0027624 k( 306) = ( -0.4630349 0.2734819 0.3245848), wk = 0.0027624 k( 307) = ( -0.4683157 0.2560449 0.3245848), wk = 0.0027624 k( 308) = ( -0.4735964 0.2386078 0.3245848), wk = 0.0027624 k( 309) = ( -0.4788771 0.2211708 0.3245848), wk = 0.0027624 k( 310) = ( -0.4841578 0.2037337 0.3245848), wk = 0.0027624 k( 311) = ( -0.4894386 0.1862967 0.3245848), wk = 0.0027624 k( 312) = ( -0.4947193 0.1688596 0.3245848), wk = 0.0027624 k( 313) = ( -0.5000000 0.1514226 0.3245848), wk = 0.0027624 k( 314) = ( -0.5000000 0.1514226 0.3245848), wk = 0.0027624 k( 315) = ( -0.5000000 0.1514226 0.3065523), wk = 0.0027624 k( 316) = ( -0.5000000 0.1514226 0.2885198), wk = 0.0027624 k( 317) = ( -0.5000000 0.1514226 0.2704874), wk = 0.0027624 k( 318) = ( -0.5000000 0.1514226 0.2524549), wk = 0.0027624 k( 319) = ( -0.5000000 0.1514226 0.2344224), wk = 0.0027624 k( 320) = ( -0.5000000 0.1514226 0.2163899), wk = 0.0027624 k( 321) = ( -0.5000000 0.1514226 0.1983574), wk = 0.0027624 k( 322) = ( -0.5000000 0.1514226 0.1803249), wk = 0.0027624 k( 323) = ( -0.5000000 0.1514226 0.1622924), wk = 0.0027624 k( 324) = ( -0.5000000 0.1514226 0.1442599), wk = 0.0027624 k( 325) = ( -0.5000000 0.1514226 0.1262274), wk = 0.0027624 k( 326) = ( -0.5000000 0.1514226 0.1081949), wk = 0.0027624 k( 327) = ( -0.5000000 0.1514226 0.0901625), wk = 0.0027624 k( 328) = ( -0.5000000 0.1514226 0.0721300), wk = 0.0027624 k( 329) = ( -0.5000000 0.1514226 0.0540975), wk = 0.0027624 k( 330) = ( -0.5000000 0.1514226 0.0360650), wk = 0.0027624 k( 331) = ( -0.5000000 0.1514226 0.0180325), wk = 0.0027624 k( 332) = ( -0.5000000 0.1514226 0.0000000), wk = 0.0027624 k( 333) = ( 0.0000000 0.0000000 0.3245848), wk = 0.0027624 k( 334) = ( -0.0172414 0.0052215 0.3245848), wk = 0.0027624 k( 335) = ( -0.0344828 0.0104429 0.3245848), wk = 0.0027624 k( 336) = ( -0.0517241 0.0156644 0.3245848), wk = 0.0027624 k( 337) = ( -0.0689655 0.0208859 0.3245848), wk = 0.0027624 k( 338) = ( -0.0862069 0.0261073 0.3245848), wk = 0.0027624 k( 339) = ( -0.1034483 0.0313288 0.3245848), wk = 0.0027624 k( 340) = ( -0.1206897 0.0365503 0.3245848), wk = 0.0027624 k( 341) = ( -0.1379310 0.0417717 0.3245848), wk = 0.0027624 k( 342) = ( -0.1551724 0.0469932 0.3245848), wk = 0.0027624 k( 343) = ( -0.1724138 0.0522147 0.3245848), wk = 0.0027624 k( 344) = ( -0.1896552 0.0574361 0.3245848), wk = 0.0027624 k( 345) = ( -0.2068966 0.0626576 0.3245848), wk = 0.0027624 k( 346) = ( -0.2241379 0.0678791 0.3245848), wk = 0.0027624 k( 347) = ( -0.2413793 0.0731006 0.3245848), wk = 0.0027624 k( 348) = ( -0.2586207 0.0783220 0.3245848), wk = 0.0027624 k( 349) = ( -0.2758621 0.0835435 0.3245848), wk = 0.0027624 k( 350) = ( -0.2931034 0.0887650 0.3245848), wk = 0.0027624 k( 351) = ( -0.3103448 0.0939864 0.3245848), wk = 0.0027624 k( 352) = ( -0.3275862 0.0992079 0.3245848), wk = 0.0027624 k( 353) = ( -0.3448276 0.1044294 0.3245848), wk = 0.0027624 k( 354) = ( -0.3620690 0.1096508 0.3245848), wk = 0.0027624 k( 355) = ( -0.3793103 0.1148723 0.3245848), wk = 0.0027624 k( 356) = ( -0.3965517 0.1200938 0.3245848), wk = 0.0027624 k( 357) = ( -0.4137931 0.1253152 0.3245848), wk = 0.0027624 k( 358) = ( -0.4310345 0.1305367 0.3245848), wk = 0.0027624 k( 359) = ( -0.4482759 0.1357582 0.3245848), wk = 0.0027624 k( 360) = ( -0.4655172 0.1409796 0.3245848), wk = 0.0027624 k( 361) = ( -0.4827586 0.1462011 0.3245848), wk = 0.0027624 k( 362) = ( -0.5000000 0.1514226 0.3245848), wk = 0.0027624 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 2) = ( 0.0052486 0.0052486 0.0000000), wk = 0.0027624 k( 3) = ( 0.0104973 0.0104973 0.0000000), wk = 0.0027624 k( 4) = ( 0.0157459 0.0157459 0.0000000), wk = 0.0027624 k( 5) = ( 0.0209945 0.0209945 0.0000000), wk = 0.0027624 k( 6) = ( 0.0262431 0.0262432 0.0000000), wk = 0.0027624 k( 7) = ( 0.0314918 0.0314918 0.0000000), wk = 0.0027624 k( 8) = ( 0.0367404 0.0367404 -0.0000000), wk = 0.0027624 k( 9) = ( 0.0419890 0.0419891 -0.0000000), wk = 0.0027624 k( 10) = ( 0.0472377 0.0472377 0.0000000), wk = 0.0027624 k( 11) = ( 0.0524863 0.0524863 -0.0000000), wk = 0.0027624 k( 12) = ( 0.0577349 0.0577349 0.0000000), wk = 0.0027624 k( 13) = ( 0.0629836 0.0629836 -0.0000000), wk = 0.0027624 k( 14) = ( 0.0682322 0.0682322 0.0000000), wk = 0.0027624 k( 15) = ( 0.0734808 0.0734808 -0.0000000), wk = 0.0027624 k( 16) = ( 0.0787295 0.0787295 -0.0000000), wk = 0.0027624 k( 17) = ( 0.0839781 0.0839781 -0.0000000), wk = 0.0027624 k( 18) = ( 0.0892267 0.0892267 0.0000000), wk = 0.0027624 k( 19) = ( 0.0944753 0.0944753 -0.0000000), wk = 0.0027624 k( 20) = ( 0.0997240 0.0997240 0.0000000), wk = 0.0027624 k( 21) = ( 0.1049726 0.1049726 0.0000000), wk = 0.0027624 k( 22) = ( 0.1102213 0.1102213 0.0000000), wk = 0.0027624 k( 23) = ( 0.1154699 0.1154699 0.0000000), wk = 0.0027624 k( 24) = ( 0.1207185 0.1207185 0.0000000), wk = 0.0027624 k( 25) = ( 0.1259671 0.1259671 -0.0000000), wk = 0.0027624 k( 26) = ( 0.1312158 0.1312158 -0.0000000), wk = 0.0027624 k( 27) = ( 0.1364644 0.1364644 0.0000000), wk = 0.0027624 k( 28) = ( 0.1417130 0.1417130 0.0000000), wk = 0.0027624 k( 29) = ( 0.1469617 0.1469617 -0.0000000), wk = 0.0027624 k( 30) = ( 0.1522103 0.1522103 -0.0000000), wk = 0.0027624 k( 31) = ( 0.1574589 0.1574589 -0.0000000), wk = 0.0027624 k( 32) = ( 0.1627076 0.1627076 -0.0000000), wk = 0.0027624 k( 33) = ( 0.1679562 0.1679562 -0.0000000), wk = 0.0027624 k( 34) = ( 0.1732048 0.1732048 0.0000000), wk = 0.0027624 k( 35) = ( 0.1784534 0.1784534 0.0000000), wk = 0.0027624 k( 36) = ( 0.1837021 0.1837021 -0.0000000), wk = 0.0027624 k( 37) = ( 0.1889507 0.1889507 0.0000000), wk = 0.0027624 k( 38) = ( 0.1941993 0.1941993 0.0000000), wk = 0.0027624 k( 39) = ( 0.1994480 0.1994480 0.0000000), wk = 0.0027624 k( 40) = ( 0.2046966 0.2046966 0.0000000), wk = 0.0027624 k( 41) = ( 0.2099452 0.2099452 0.0000000), wk = 0.0027624 k( 42) = ( 0.2151939 0.2151939 0.0000000), wk = 0.0027624 k( 43) = ( 0.2204425 0.2204425 0.0000000), wk = 0.0027624 k( 44) = ( 0.2256911 0.2256911 -0.0000000), wk = 0.0027624 k( 45) = ( 0.2309397 0.2309397 0.0000000), wk = 0.0027624 k( 46) = ( 0.2361884 0.2361884 -0.0000000), wk = 0.0027624 k( 47) = ( 0.2414370 0.2414370 -0.0000000), wk = 0.0027624 k( 48) = ( 0.2466856 0.2466856 0.0000000), wk = 0.0027624 k( 49) = ( 0.2519343 0.2519343 -0.0000000), wk = 0.0027624 k( 50) = ( 0.2571829 0.2571829 -0.0000000), wk = 0.0027624 k( 51) = ( 0.2624315 0.2624315 -0.0000000), wk = 0.0027624 k( 52) = ( 0.2676802 0.2676802 0.0000000), wk = 0.0027624 k( 53) = ( 0.2729288 0.2729288 0.0000000), wk = 0.0027624 k( 54) = ( 0.2729288 0.2729288 0.0000000), wk = 0.0027624 k( 55) = ( 0.2547335 0.2880669 -0.0000000), wk = 0.0027624 k( 56) = ( 0.2365383 0.3032050 -0.0000000), wk = 0.0027624 k( 57) = ( 0.2183430 0.3183430 0.0000000), wk = 0.0027624 k( 58) = ( 0.2001478 0.3334811 -0.0000000), wk = 0.0027624 k( 59) = ( 0.1819525 0.3486192 -0.0000000), wk = 0.0027624 k( 60) = ( 0.1637573 0.3637573 0.0000000), wk = 0.0027624 k( 61) = ( 0.1455620 0.3788954 -0.0000000), wk = 0.0027624 k( 62) = ( 0.1273668 0.3940334 -0.0000000), wk = 0.0027624 k( 63) = ( 0.1091715 0.4091715 -0.0000000), wk = 0.0027624 k( 64) = ( 0.0909763 0.4243096 -0.0000000), wk = 0.0027624 k( 65) = ( 0.0727810 0.4394477 0.0000000), wk = 0.0027624 k( 66) = ( 0.0545858 0.4545858 -0.0000000), wk = 0.0027624 k( 67) = ( 0.0363905 0.4697238 -0.0000000), wk = 0.0027624 k( 68) = ( 0.0181952 0.4848619 -0.0000000), wk = 0.0027624 k( 69) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027624 k( 70) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027624 k( 71) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0027624 k( 72) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0027624 k( 73) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0027624 k( 74) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0027624 k( 75) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0027624 k( 76) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0027624 k( 77) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0027624 k( 78) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0027624 k( 79) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027624 k( 80) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0027624 k( 81) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0027624 k( 82) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0027624 k( 83) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0027624 k( 84) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0027624 k( 85) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0027624 k( 86) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0027624 k( 87) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0027624 k( 88) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027624 k( 89) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027624 k( 90) = ( 0.0181952 0.4848619 0.5000000), wk = 0.0027624 k( 91) = ( 0.0363905 0.4697238 0.5000000), wk = 0.0027624 k( 92) = ( 0.0545858 0.4545858 0.5000000), wk = 0.0027624 k( 93) = ( 0.0727810 0.4394477 0.5000000), wk = 0.0027624 k( 94) = ( 0.0909763 0.4243096 0.5000000), wk = 0.0027624 k( 95) = ( 0.1091715 0.4091715 0.5000000), wk = 0.0027624 k( 96) = ( 0.1273668 0.3940334 0.5000000), wk = 0.0027624 k( 97) = ( 0.1455620 0.3788954 0.5000000), wk = 0.0027624 k( 98) = ( 0.1637573 0.3637573 0.5000000), wk = 0.0027624 k( 99) = ( 0.1819525 0.3486192 0.5000000), wk = 0.0027624 k( 100) = ( 0.2001478 0.3334811 0.5000000), wk = 0.0027624 k( 101) = ( 0.2183430 0.3183430 0.5000000), wk = 0.0027624 k( 102) = ( 0.2365383 0.3032050 0.5000000), wk = 0.0027624 k( 103) = ( 0.2547335 0.2880669 0.5000000), wk = 0.0027624 k( 104) = ( 0.2729288 0.2729288 0.5000000), wk = 0.0027624 k( 105) = ( 0.2729288 0.2729288 0.5000000), wk = 0.0027624 k( 106) = ( 0.2676802 0.2676802 0.5000000), wk = 0.0027624 k( 107) = ( 0.2624315 0.2624315 0.5000000), wk = 0.0027624 k( 108) = ( 0.2571829 0.2571829 0.5000000), wk = 0.0027624 k( 109) = ( 0.2519343 0.2519343 0.5000000), wk = 0.0027624 k( 110) = ( 0.2466856 0.2466856 0.5000000), wk = 0.0027624 k( 111) = ( 0.2414370 0.2414370 0.5000000), wk = 0.0027624 k( 112) = ( 0.2361884 0.2361884 0.5000000), wk = 0.0027624 k( 113) = ( 0.2309397 0.2309397 0.5000000), wk = 0.0027624 k( 114) = ( 0.2256911 0.2256911 0.5000000), wk = 0.0027624 k( 115) = ( 0.2204425 0.2204425 0.5000000), wk = 0.0027624 k( 116) = ( 0.2151939 0.2151939 0.5000000), wk = 0.0027624 k( 117) = ( 0.2099452 0.2099452 0.5000000), wk = 0.0027624 k( 118) = ( 0.2046966 0.2046966 0.5000000), wk = 0.0027624 k( 119) = ( 0.1994480 0.1994480 0.5000000), wk = 0.0027624 k( 120) = ( 0.1941993 0.1941993 0.5000000), wk = 0.0027624 k( 121) = ( 0.1889507 0.1889507 0.5000000), wk = 0.0027624 k( 122) = ( 0.1837021 0.1837021 0.5000000), wk = 0.0027624 k( 123) = ( 0.1784534 0.1784534 0.5000000), wk = 0.0027624 k( 124) = ( 0.1732048 0.1732048 0.5000000), wk = 0.0027624 k( 125) = ( 0.1679562 0.1679562 0.5000000), wk = 0.0027624 k( 126) = ( 0.1627076 0.1627076 0.5000000), wk = 0.0027624 k( 127) = ( 0.1574589 0.1574589 0.5000000), wk = 0.0027624 k( 128) = ( 0.1522103 0.1522103 0.5000000), wk = 0.0027624 k( 129) = ( 0.1469617 0.1469617 0.5000000), wk = 0.0027624 k( 130) = ( 0.1417130 0.1417130 0.5000000), wk = 0.0027624 k( 131) = ( 0.1364644 0.1364644 0.5000000), wk = 0.0027624 k( 132) = ( 0.1312158 0.1312158 0.5000000), wk = 0.0027624 k( 133) = ( 0.1259671 0.1259671 0.5000000), wk = 0.0027624 k( 134) = ( 0.1207185 0.1207185 0.5000000), wk = 0.0027624 k( 135) = ( 0.1154699 0.1154699 0.5000000), wk = 0.0027624 k( 136) = ( 0.1102213 0.1102213 0.5000000), wk = 0.0027624 k( 137) = ( 0.1049726 0.1049726 0.5000000), wk = 0.0027624 k( 138) = ( 0.0997240 0.0997240 0.5000000), wk = 0.0027624 k( 139) = ( 0.0944753 0.0944753 0.5000000), wk = 0.0027624 k( 140) = ( 0.0892267 0.0892267 0.5000000), wk = 0.0027624 k( 141) = ( 0.0839781 0.0839781 0.5000000), wk = 0.0027624 k( 142) = ( 0.0787295 0.0787295 0.5000000), wk = 0.0027624 k( 143) = ( 0.0734808 0.0734808 0.5000000), wk = 0.0027624 k( 144) = ( 0.0682322 0.0682322 0.5000000), wk = 0.0027624 k( 145) = ( 0.0629836 0.0629836 0.5000000), wk = 0.0027624 k( 146) = ( 0.0577349 0.0577349 0.5000000), wk = 0.0027624 k( 147) = ( 0.0524863 0.0524863 0.5000000), wk = 0.0027624 k( 148) = ( 0.0472377 0.0472377 0.5000000), wk = 0.0027624 k( 149) = ( 0.0419890 0.0419891 0.5000000), wk = 0.0027624 k( 150) = ( 0.0367404 0.0367404 0.5000000), wk = 0.0027624 k( 151) = ( 0.0314918 0.0314918 0.5000000), wk = 0.0027624 k( 152) = ( 0.0262431 0.0262432 0.5000000), wk = 0.0027624 k( 153) = ( 0.0209945 0.0209945 0.5000000), wk = 0.0027624 k( 154) = ( 0.0157459 0.0157459 0.5000000), wk = 0.0027624 k( 155) = ( 0.0104973 0.0104973 0.5000000), wk = 0.0027624 k( 156) = ( 0.0052486 0.0052486 0.5000000), wk = 0.0027624 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 159) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0027624 k( 160) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0027624 k( 161) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0027624 k( 162) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0027624 k( 163) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0027624 k( 164) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027624 k( 165) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0027624 k( 166) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0027624 k( 167) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027624 k( 168) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0027624 k( 169) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0027624 k( 170) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027624 k( 171) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0027624 k( 172) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0027624 k( 173) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0027624 k( 174) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0027624 k( 175) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0027624 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 178) = ( -0.0172414 0.0172414 -0.0000000), wk = 0.0027624 k( 179) = ( -0.0344828 0.0344828 -0.0000000), wk = 0.0027624 k( 180) = ( -0.0517241 0.0517241 -0.0000000), wk = 0.0027624 k( 181) = ( -0.0689655 0.0689655 -0.0000000), wk = 0.0027624 k( 182) = ( -0.0862069 0.0862069 -0.0000000), wk = 0.0027624 k( 183) = ( -0.1034483 0.1034483 -0.0000000), wk = 0.0027624 k( 184) = ( -0.1206897 0.1206897 -0.0000000), wk = 0.0027624 k( 185) = ( -0.1379310 0.1379310 -0.0000000), wk = 0.0027624 k( 186) = ( -0.1551724 0.1551724 0.0000000), wk = 0.0027624 k( 187) = ( -0.1724138 0.1724138 -0.0000000), wk = 0.0027624 k( 188) = ( -0.1896552 0.1896552 -0.0000000), wk = 0.0027624 k( 189) = ( -0.2068966 0.2068965 -0.0000000), wk = 0.0027624 k( 190) = ( -0.2241379 0.2241379 -0.0000000), wk = 0.0027624 k( 191) = ( -0.2413793 0.2413793 -0.0000000), wk = 0.0027624 k( 192) = ( -0.2586207 0.2586207 -0.0000000), wk = 0.0027624 k( 193) = ( -0.2758621 0.2758621 -0.0000000), wk = 0.0027624 k( 194) = ( -0.2931034 0.2931034 -0.0000000), wk = 0.0027624 k( 195) = ( -0.3103448 0.3103448 -0.0000000), wk = 0.0027624 k( 196) = ( -0.3275862 0.3275862 -0.0000000), wk = 0.0027624 k( 197) = ( -0.3448276 0.3448276 -0.0000000), wk = 0.0027624 k( 198) = ( -0.3620690 0.3620690 -0.0000000), wk = 0.0027624 k( 199) = ( -0.3793103 0.3793103 -0.0000000), wk = 0.0027624 k( 200) = ( -0.3965517 0.3965517 -0.0000000), wk = 0.0027624 k( 201) = ( -0.4137931 0.4137931 -0.0000000), wk = 0.0027624 k( 202) = ( -0.4310345 0.4310345 -0.0000000), wk = 0.0027624 k( 203) = ( -0.4482759 0.4482759 -0.0000000), wk = 0.0027624 k( 204) = ( -0.4655172 0.4655172 -0.0000000), wk = 0.0027624 k( 205) = ( -0.4827586 0.4827586 -0.0000000), wk = 0.0027624 k( 206) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027624 k( 207) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027624 k( 208) = ( -0.4947193 0.5052807 -0.0000000), wk = 0.0027624 k( 209) = ( -0.4894386 0.5105614 -0.0000000), wk = 0.0027624 k( 210) = ( -0.4841578 0.5158422 -0.0000000), wk = 0.0027624 k( 211) = ( -0.4788771 0.5211229 -0.0000000), wk = 0.0027624 k( 212) = ( -0.4735964 0.5264036 -0.0000000), wk = 0.0027624 k( 213) = ( -0.4683157 0.5316843 -0.0000000), wk = 0.0027624 k( 214) = ( -0.4630349 0.5369651 -0.0000000), wk = 0.0027624 k( 215) = ( -0.4577542 0.5422458 -0.0000000), wk = 0.0027624 k( 216) = ( -0.4524735 0.5475265 -0.0000000), wk = 0.0027624 k( 217) = ( -0.4471927 0.5528073 -0.0000000), wk = 0.0027624 k( 218) = ( -0.4419120 0.5580880 -0.0000000), wk = 0.0027624 k( 219) = ( -0.4366313 0.5633687 -0.0000000), wk = 0.0027624 k( 220) = ( -0.4313506 0.5686494 -0.0000000), wk = 0.0027624 k( 221) = ( -0.4260698 0.5739302 -0.0000000), wk = 0.0027624 k( 222) = ( -0.4207891 0.5792109 -0.0000000), wk = 0.0027624 k( 223) = ( -0.4155084 0.5844916 -0.0000000), wk = 0.0027624 k( 224) = ( -0.4102277 0.5897723 -0.0000000), wk = 0.0027624 k( 225) = ( -0.4049469 0.5950531 -0.0000000), wk = 0.0027624 k( 226) = ( -0.3996662 0.6003338 0.0000000), wk = 0.0027624 k( 227) = ( -0.3943855 0.6056145 -0.0000000), wk = 0.0027624 k( 228) = ( -0.3891048 0.6108952 -0.0000000), wk = 0.0027624 k( 229) = ( -0.3838240 0.6161760 -0.0000000), wk = 0.0027624 k( 230) = ( -0.3785433 0.6214567 -0.0000000), wk = 0.0027624 k( 231) = ( -0.3732626 0.6267374 0.0000000), wk = 0.0027624 k( 232) = ( -0.3679819 0.6320181 -0.0000000), wk = 0.0027624 k( 233) = ( -0.3627011 0.6372989 0.0000000), wk = 0.0027624 k( 234) = ( -0.3574204 0.6425796 -0.0000000), wk = 0.0027624 k( 235) = ( -0.3521397 0.6478603 -0.0000000), wk = 0.0027624 k( 236) = ( -0.3468590 0.6531410 -0.0000000), wk = 0.0027624 k( 237) = ( -0.3415782 0.6584218 -0.0000000), wk = 0.0027624 k( 238) = ( -0.3362975 0.6637025 -0.0000000), wk = 0.0027624 k( 239) = ( -0.3310168 0.6689832 -0.0000000), wk = 0.0027624 k( 240) = ( -0.3257360 0.6742639 0.0000000), wk = 0.0027624 k( 241) = ( -0.3204553 0.6795447 0.0000000), wk = 0.0027624 k( 242) = ( -0.3151746 0.6848254 -0.0000000), wk = 0.0027624 k( 243) = ( -0.3098939 0.6901061 0.0000000), wk = 0.0027624 k( 244) = ( -0.3046131 0.6953868 -0.0000000), wk = 0.0027624 k( 245) = ( -0.2993324 0.7006676 -0.0000000), wk = 0.0027624 k( 246) = ( -0.2940517 0.7059483 0.0000000), wk = 0.0027624 k( 247) = ( -0.2887710 0.7112290 -0.0000000), wk = 0.0027624 k( 248) = ( -0.2834902 0.7165097 -0.0000000), wk = 0.0027624 k( 249) = ( -0.2782095 0.7217905 -0.0000000), wk = 0.0027624 k( 250) = ( -0.2729288 0.7270712 0.0000000), wk = 0.0027624 k( 251) = ( -0.2729288 0.7270712 0.0000000), wk = 0.0027624 k( 252) = ( -0.2729288 0.7270712 0.0277778), wk = 0.0027624 k( 253) = ( -0.2729288 0.7270712 0.0555556), wk = 0.0027624 k( 254) = ( -0.2729288 0.7270712 0.0833333), wk = 0.0027624 k( 255) = ( -0.2729288 0.7270712 0.1111111), wk = 0.0027624 k( 256) = ( -0.2729288 0.7270712 0.1388889), wk = 0.0027624 k( 257) = ( -0.2729288 0.7270712 0.1666667), wk = 0.0027624 k( 258) = ( -0.2729288 0.7270712 0.1944444), wk = 0.0027624 k( 259) = ( -0.2729288 0.7270712 0.2222222), wk = 0.0027624 k( 260) = ( -0.2729288 0.7270712 0.2500000), wk = 0.0027624 k( 261) = ( -0.2729288 0.7270712 0.2777778), wk = 0.0027624 k( 262) = ( -0.2729288 0.7270712 0.3055556), wk = 0.0027624 k( 263) = ( -0.2729288 0.7270712 0.3333333), wk = 0.0027624 k( 264) = ( -0.2729288 0.7270712 0.3611111), wk = 0.0027624 k( 265) = ( -0.2729288 0.7270712 0.3888889), wk = 0.0027624 k( 266) = ( -0.2729288 0.7270712 0.4166667), wk = 0.0027624 k( 267) = ( -0.2729288 0.7270712 0.4444444), wk = 0.0027624 k( 268) = ( -0.2729288 0.7270712 0.4722222), wk = 0.0027624 k( 269) = ( -0.2729288 0.7270712 0.5000000), wk = 0.0027624 k( 270) = ( -0.2729288 0.7270712 0.5000000), wk = 0.0027624 k( 271) = ( -0.2782095 0.7217905 0.5000000), wk = 0.0027624 k( 272) = ( -0.2834902 0.7165097 0.5000000), wk = 0.0027624 k( 273) = ( -0.2887710 0.7112290 0.5000000), wk = 0.0027624 k( 274) = ( -0.2940517 0.7059483 0.5000000), wk = 0.0027624 k( 275) = ( -0.2993324 0.7006676 0.5000000), wk = 0.0027624 k( 276) = ( -0.3046131 0.6953868 0.5000000), wk = 0.0027624 k( 277) = ( -0.3098939 0.6901061 0.5000000), wk = 0.0027624 k( 278) = ( -0.3151746 0.6848254 0.5000000), wk = 0.0027624 k( 279) = ( -0.3204553 0.6795447 0.5000000), wk = 0.0027624 k( 280) = ( -0.3257360 0.6742639 0.5000000), wk = 0.0027624 k( 281) = ( -0.3310168 0.6689832 0.5000000), wk = 0.0027624 k( 282) = ( -0.3362975 0.6637025 0.5000000), wk = 0.0027624 k( 283) = ( -0.3415782 0.6584218 0.5000000), wk = 0.0027624 k( 284) = ( -0.3468590 0.6531410 0.5000000), wk = 0.0027624 k( 285) = ( -0.3521397 0.6478603 0.5000000), wk = 0.0027624 k( 286) = ( -0.3574204 0.6425796 0.5000000), wk = 0.0027624 k( 287) = ( -0.3627011 0.6372989 0.5000000), wk = 0.0027624 k( 288) = ( -0.3679819 0.6320181 0.5000000), wk = 0.0027624 k( 289) = ( -0.3732626 0.6267374 0.5000000), wk = 0.0027624 k( 290) = ( -0.3785433 0.6214567 0.5000000), wk = 0.0027624 k( 291) = ( -0.3838240 0.6161760 0.5000000), wk = 0.0027624 k( 292) = ( -0.3891048 0.6108952 0.5000000), wk = 0.0027624 k( 293) = ( -0.3943855 0.6056145 0.5000000), wk = 0.0027624 k( 294) = ( -0.3996662 0.6003338 0.5000000), wk = 0.0027624 k( 295) = ( -0.4049469 0.5950531 0.5000000), wk = 0.0027624 k( 296) = ( -0.4102277 0.5897723 0.5000000), wk = 0.0027624 k( 297) = ( -0.4155084 0.5844916 0.5000000), wk = 0.0027624 k( 298) = ( -0.4207891 0.5792109 0.5000000), wk = 0.0027624 k( 299) = ( -0.4260698 0.5739302 0.5000000), wk = 0.0027624 k( 300) = ( -0.4313506 0.5686494 0.5000000), wk = 0.0027624 k( 301) = ( -0.4366313 0.5633687 0.5000000), wk = 0.0027624 k( 302) = ( -0.4419120 0.5580880 0.5000000), wk = 0.0027624 k( 303) = ( -0.4471927 0.5528073 0.5000000), wk = 0.0027624 k( 304) = ( -0.4524735 0.5475265 0.5000000), wk = 0.0027624 k( 305) = ( -0.4577542 0.5422458 0.5000000), wk = 0.0027624 k( 306) = ( -0.4630349 0.5369651 0.5000000), wk = 0.0027624 k( 307) = ( -0.4683157 0.5316843 0.5000000), wk = 0.0027624 k( 308) = ( -0.4735964 0.5264036 0.5000000), wk = 0.0027624 k( 309) = ( -0.4788771 0.5211229 0.5000000), wk = 0.0027624 k( 310) = ( -0.4841578 0.5158422 0.5000000), wk = 0.0027624 k( 311) = ( -0.4894386 0.5105614 0.5000000), wk = 0.0027624 k( 312) = ( -0.4947193 0.5052807 0.5000000), wk = 0.0027624 k( 313) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027624 k( 314) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027624 k( 315) = ( -0.5000000 0.5000000 0.4722222), wk = 0.0027624 k( 316) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0027624 k( 317) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0027624 k( 318) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0027624 k( 319) = ( -0.5000000 0.5000000 0.3611111), wk = 0.0027624 k( 320) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0027624 k( 321) = ( -0.5000000 0.5000000 0.3055556), wk = 0.0027624 k( 322) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0027624 k( 323) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0027624 k( 324) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0027624 k( 325) = ( -0.5000000 0.5000000 0.1944444), wk = 0.0027624 k( 326) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0027624 k( 327) = ( -0.5000000 0.5000000 0.1388889), wk = 0.0027624 k( 328) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0027624 k( 329) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0027624 k( 330) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0027624 k( 331) = ( -0.5000000 0.5000000 0.0277778), wk = 0.0027624 k( 332) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027624 k( 333) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 334) = ( -0.0172414 0.0172414 0.5000000), wk = 0.0027624 k( 335) = ( -0.0344828 0.0344828 0.5000000), wk = 0.0027624 k( 336) = ( -0.0517241 0.0517241 0.5000000), wk = 0.0027624 k( 337) = ( -0.0689655 0.0689655 0.5000000), wk = 0.0027624 k( 338) = ( -0.0862069 0.0862069 0.5000000), wk = 0.0027624 k( 339) = ( -0.1034483 0.1034483 0.5000000), wk = 0.0027624 k( 340) = ( -0.1206897 0.1206897 0.5000000), wk = 0.0027624 k( 341) = ( -0.1379310 0.1379310 0.5000000), wk = 0.0027624 k( 342) = ( -0.1551724 0.1551724 0.5000000), wk = 0.0027624 k( 343) = ( -0.1724138 0.1724138 0.5000000), wk = 0.0027624 k( 344) = ( -0.1896552 0.1896552 0.5000000), wk = 0.0027624 k( 345) = ( -0.2068966 0.2068965 0.5000000), wk = 0.0027624 k( 346) = ( -0.2241379 0.2241379 0.5000000), wk = 0.0027624 k( 347) = ( -0.2413793 0.2413793 0.5000000), wk = 0.0027624 k( 348) = ( -0.2586207 0.2586207 0.5000000), wk = 0.0027624 k( 349) = ( -0.2758621 0.2758621 0.5000000), wk = 0.0027624 k( 350) = ( -0.2931034 0.2931034 0.5000000), wk = 0.0027624 k( 351) = ( -0.3103448 0.3103448 0.5000000), wk = 0.0027624 k( 352) = ( -0.3275862 0.3275862 0.5000000), wk = 0.0027624 k( 353) = ( -0.3448276 0.3448276 0.5000000), wk = 0.0027624 k( 354) = ( -0.3620690 0.3620690 0.5000000), wk = 0.0027624 k( 355) = ( -0.3793103 0.3793103 0.5000000), wk = 0.0027624 k( 356) = ( -0.3965517 0.3965517 0.5000000), wk = 0.0027624 k( 357) = ( -0.4137931 0.4137931 0.5000000), wk = 0.0027624 k( 358) = ( -0.4310345 0.4310345 0.5000000), wk = 0.0027624 k( 359) = ( -0.4482759 0.4482759 0.5000000), wk = 0.0027624 k( 360) = ( -0.4655172 0.4655172 0.5000000), wk = 0.0027624 k( 361) = ( -0.4827586 0.4827586 0.5000000), wk = 0.0027624 k( 362) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027624 Dense grid: 67313 G-vectors FFT dimensions: ( 54, 54, 81) Smooth grid: 51803 G-vectors FFT dimensions: ( 50, 50, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 364, 48) NL pseudopotentials 0.46 Mb ( 182, 164) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.01 Mb ( 1870) G-vector shells 0.01 Mb ( 916) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.07 Mb ( 364, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.24 Mb ( 164, 2, 48) The potential is recalculated from file : ./Zr3Fe.save/charge-density.dat Starting wfc are 144 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4.1 secs Computing kpt #: 2 c_bands: 6 eigenvalues not converged total cpu time spent up to now is 6.9 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 9.5 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 12.1 secs Computing kpt #: 5 total cpu time spent up to now is 14.4 secs Computing kpt #: 6 total cpu time spent up to now is 16.8 secs Computing kpt #: 7 total cpu time spent up to now is 18.8 secs Computing kpt #: 8 total cpu time spent up to now is 20.6 secs Computing kpt #: 9 total cpu time spent up to now is 22.0 secs Computing kpt #: 10 total cpu time spent up to now is 23.4 secs Computing kpt #: 11 total cpu time spent up to now is 24.7 secs Computing kpt #: 12 total cpu time spent up to now is 26.0 secs Computing kpt #: 13 total cpu time spent up to now is 27.3 secs Computing kpt #: 14 total cpu time spent up to now is 28.6 secs Computing kpt #: 15 total cpu time spent up to now is 29.8 secs Computing kpt #: 16 total cpu time spent up to now is 31.0 secs Computing kpt #: 17 total cpu time spent up to now is 32.3 secs Computing kpt #: 18 total cpu time spent up to now is 33.5 secs Computing kpt #: 19 total cpu time spent up to now is 34.7 secs Computing kpt #: 20 total cpu time spent up to now is 36.0 secs Computing kpt #: 21 total cpu time spent up to now is 37.2 secs Computing kpt #: 22 total cpu time spent up to now is 38.4 secs Computing kpt #: 23 total cpu time spent up to now is 39.6 secs Computing kpt #: 24 total cpu time spent up to now is 40.8 secs Computing kpt #: 25 total cpu time spent up to now is 42.1 secs Computing kpt #: 26 total cpu time spent up to now is 43.3 secs Computing kpt #: 27 total cpu time spent up to now is 44.6 secs Computing kpt #: 28 total cpu time spent up to now is 45.8 secs Computing kpt #: 29 total cpu time spent up to now is 47.1 secs Computing kpt #: 30 total cpu time spent up to now is 48.4 secs Computing kpt #: 31 total cpu time spent up to now is 49.7 secs Computing kpt #: 32 total cpu time spent up to now is 51.0 secs Computing kpt #: 33 total cpu time spent up to now is 52.4 secs Computing kpt #: 34 total cpu time spent up to now is 53.8 secs Computing kpt #: 35 total cpu time spent up to now is 55.1 secs Computing kpt #: 36 total cpu time spent up to now is 56.6 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 59.0 secs Computing kpt #: 38 total cpu time spent up to now is 61.3 secs Computing kpt #: 39 total cpu time spent up to now is 63.3 secs Computing kpt #: 40 total cpu time spent up to now is 65.4 secs Computing kpt #: 41 total cpu time spent up to now is 67.4 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 69.8 secs Computing kpt #: 43 total cpu time spent up to now is 71.6 secs Computing kpt #: 44 total cpu time spent up to now is 73.1 secs Computing kpt #: 45 total cpu time spent up to now is 74.5 secs Computing kpt #: 46 total cpu time spent up to now is 76.0 secs Computing kpt #: 47 total cpu time spent up to now is 77.3 secs Computing kpt #: 48 total cpu time spent up to now is 78.8 secs Computing kpt #: 49 total cpu time spent up to now is 80.2 secs Computing kpt #: 50 total cpu time spent up to now is 81.7 secs Computing kpt #: 51 total cpu time spent up to now is 83.5 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 86.0 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.4 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.8 secs Computing kpt #: 55 total cpu time spent up to now is 93.1 secs Computing kpt #: 56 total cpu time spent up to now is 95.3 secs Computing kpt #: 57 total cpu time spent up to now is 97.6 secs Computing kpt #: 58 total cpu time spent up to now is 99.7 secs Computing kpt #: 59 total cpu time spent up to now is 101.6 secs Computing kpt #: 60 total cpu time spent up to now is 103.5 secs Computing kpt #: 61 total cpu time spent up to now is 105.3 secs Computing kpt #: 62 total cpu time spent up to now is 107.1 secs Computing kpt #: 63 total cpu time spent up to now is 108.9 secs Computing kpt #: 64 total cpu time spent up to now is 110.7 secs Computing kpt #: 65 total cpu time spent up to now is 112.5 secs Computing kpt #: 66 total cpu time spent up to now is 114.2 secs Computing kpt #: 67 total cpu time spent up to now is 116.2 secs Computing kpt #: 68 total cpu time spent up to now is 118.2 secs Computing kpt #: 69 total cpu time spent up to now is 120.6 secs Computing kpt #: 70 total cpu time spent up to now is 122.8 secs Computing kpt #: 71 total cpu time spent up to now is 124.9 secs Computing kpt #: 72 total cpu time spent up to now is 127.6 secs Computing kpt #: 73 total cpu time spent up to now is 129.6 secs Computing kpt #: 74 total cpu time spent up to now is 131.7 secs Computing kpt #: 75 total cpu time spent up to now is 134.0 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 136.5 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 139.0 secs Computing kpt #: 78 total cpu time spent up to now is 141.3 secs Computing kpt #: 79 total cpu time spent up to now is 143.2 secs Computing kpt #: 80 total cpu time spent up to now is 145.0 secs Computing kpt #: 81 total cpu time spent up to now is 146.9 secs Computing kpt #: 82 total cpu time spent up to now is 148.7 secs Computing kpt #: 83 total cpu time spent up to now is 150.5 secs Computing kpt #: 84 total cpu time spent up to now is 152.1 secs Computing kpt #: 85 total cpu time spent up to now is 153.8 secs Computing kpt #: 86 total cpu time spent up to now is 155.4 secs Computing kpt #: 87 total cpu time spent up to now is 157.0 secs Computing kpt #: 88 total cpu time spent up to now is 158.7 secs Computing kpt #: 89 total cpu time spent up to now is 160.3 secs Computing kpt #: 90 total cpu time spent up to now is 161.9 secs Computing kpt #: 91 total cpu time spent up to now is 163.5 secs Computing kpt #: 92 total cpu time spent up to now is 165.1 secs Computing kpt #: 93 total cpu time spent up to now is 166.8 secs Computing kpt #: 94 total cpu time spent up to now is 168.7 secs Computing kpt #: 95 total cpu time spent up to now is 170.6 secs Computing kpt #: 96 total cpu time spent up to now is 172.4 secs Computing kpt #: 97 total cpu time spent up to now is 174.3 secs Computing kpt #: 98 total cpu time spent up to now is 176.2 secs Computing kpt #: 99 total cpu time spent up to now is 178.0 secs Computing kpt #: 100 total cpu time spent up to now is 179.7 secs Computing kpt #: 101 total cpu time spent up to now is 181.4 secs Computing kpt #: 102 total cpu time spent up to now is 183.1 secs Computing kpt #: 103 total cpu time spent up to now is 184.8 secs Computing kpt #: 104 total cpu time spent up to now is 186.4 secs Computing kpt #: 105 total cpu time spent up to now is 188.1 secs Computing kpt #: 106 total cpu time spent up to now is 189.9 secs Computing kpt #: 107 total cpu time spent up to now is 191.5 secs Computing kpt #: 108 total cpu time spent up to now is 193.2 secs Computing kpt #: 109 total cpu time spent up to now is 194.8 secs Computing kpt #: 110 total cpu time spent up to now is 196.3 secs Computing kpt #: 111 total cpu time spent up to now is 197.9 secs Computing kpt #: 112 total cpu time spent up to now is 199.4 secs Computing kpt #: 113 total cpu time spent up to now is 200.9 secs Computing kpt #: 114 total cpu time spent up to now is 202.3 secs Computing kpt #: 115 total cpu time spent up to now is 203.6 secs Computing kpt #: 116 total cpu time spent up to now is 205.0 secs Computing kpt #: 117 total cpu time spent up to now is 206.6 secs Computing kpt #: 118 total cpu time spent up to now is 208.1 secs Computing kpt #: 119 total cpu time spent up to now is 209.7 secs Computing kpt #: 120 total cpu time spent up to now is 211.4 secs Computing kpt #: 121 total cpu time spent up to now is 212.9 secs Computing kpt #: 122 total cpu time spent up to now is 214.7 secs Computing kpt #: 123 total cpu time spent up to now is 216.6 secs Computing kpt #: 124 total cpu time spent up to now is 218.1 secs Computing kpt #: 125 total cpu time spent up to now is 219.7 secs Computing kpt #: 126 total cpu time spent up to now is 221.1 secs Computing kpt #: 127 total cpu time spent up to now is 222.5 secs Computing kpt #: 128 total cpu time spent up to now is 223.9 secs Computing kpt #: 129 total cpu time spent up to now is 225.4 secs Computing kpt #: 130 total cpu time spent up to now is 226.8 secs Computing kpt #: 131 total cpu time spent up to now is 228.2 secs Computing kpt #: 132 total cpu time spent up to now is 229.6 secs Computing kpt #: 133 total cpu time spent up to now is 231.0 secs Computing kpt #: 134 total cpu time spent up to now is 232.4 secs Computing kpt #: 135 total cpu time spent up to now is 233.8 secs Computing kpt #: 136 total cpu time spent up to now is 235.2 secs Computing kpt #: 137 total cpu time spent up to now is 236.5 secs Computing kpt #: 138 total cpu time spent up to now is 237.9 secs Computing kpt #: 139 total cpu time spent up to now is 239.3 secs Computing kpt #: 140 total cpu time spent up to now is 240.7 secs Computing kpt #: 141 total cpu time spent up to now is 242.0 secs Computing kpt #: 142 total cpu time spent up to now is 243.4 secs Computing kpt #: 143 total cpu time spent up to now is 244.9 secs Computing kpt #: 144 total cpu time spent up to now is 246.4 secs Computing kpt #: 145 total cpu time spent up to now is 247.9 secs Computing kpt #: 146 total cpu time spent up to now is 249.5 secs Computing kpt #: 147 total cpu time spent up to now is 251.0 secs Computing kpt #: 148 total cpu time spent up to now is 252.6 secs Computing kpt #: 149 total cpu time spent up to now is 254.3 secs Computing kpt #: 150 total cpu time spent up to now is 256.0 secs Computing kpt #: 151 total cpu time spent up to now is 257.7 secs Computing kpt #: 152 total cpu time spent up to now is 259.4 secs Computing kpt #: 153 total cpu time spent up to now is 261.1 secs Computing kpt #: 154 total cpu time spent up to now is 262.8 secs Computing kpt #: 155 total cpu time spent up to now is 264.4 secs Computing kpt #: 156 total cpu time spent up to now is 266.0 secs Computing kpt #: 157 total cpu time spent up to now is 267.7 secs Computing kpt #: 158 total cpu time spent up to now is 269.3 secs Computing kpt #: 159 total cpu time spent up to now is 270.9 secs Computing kpt #: 160 total cpu time spent up to now is 272.6 secs Computing kpt #: 161 total cpu time spent up to now is 274.3 secs Computing kpt #: 162 total cpu time spent up to now is 276.0 secs Computing kpt #: 163 total cpu time spent up to now is 277.8 secs Computing kpt #: 164 total cpu time spent up to now is 279.6 secs Computing kpt #: 165 total cpu time spent up to now is 281.4 secs Computing kpt #: 166 total cpu time spent up to now is 283.3 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 285.7 secs Computing kpt #: 168 total cpu time spent up to now is 288.1 secs Computing kpt #: 169 total cpu time spent up to now is 290.0 secs Computing kpt #: 170 total cpu time spent up to now is 291.8 secs Computing kpt #: 171 total cpu time spent up to now is 293.6 secs Computing kpt #: 172 total cpu time spent up to now is 295.4 secs Computing kpt #: 173 total cpu time spent up to now is 297.8 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.4 secs Computing kpt #: 175 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 303.2 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.8 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 308.4 secs Computing kpt #: 178 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 311.2 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 314.0 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 316.5 secs Computing kpt #: 181 total cpu time spent up to now is 319.0 secs Computing kpt #: 182 total cpu time spent up to now is 320.9 secs Computing kpt #: 183 total cpu time spent up to now is 322.7 secs Computing kpt #: 184 total cpu time spent up to now is 324.2 secs Computing kpt #: 185 total cpu time spent up to now is 325.7 secs Computing kpt #: 186 total cpu time spent up to now is 327.1 secs Computing kpt #: 187 total cpu time spent up to now is 328.5 secs Computing kpt #: 188 total cpu time spent up to now is 329.9 secs Computing kpt #: 189 total cpu time spent up to now is 331.3 secs Computing kpt #: 190 total cpu time spent up to now is 332.7 secs Computing kpt #: 191 total cpu time spent up to now is 334.1 secs Computing kpt #: 192 total cpu time spent up to now is 335.3 secs Computing kpt #: 193 total cpu time spent up to now is 336.6 secs Computing kpt #: 194 total cpu time spent up to now is 337.7 secs Computing kpt #: 195 total cpu time spent up to now is 338.9 secs Computing kpt #: 196 total cpu time spent up to now is 340.0 secs Computing kpt #: 197 total cpu time spent up to now is 341.1 secs Computing kpt #: 198 total cpu time spent up to now is 342.2 secs Computing kpt #: 199 total cpu time spent up to now is 343.3 secs Computing kpt #: 200 total cpu time spent up to now is 344.3 secs Computing kpt #: 201 total cpu time spent up to now is 345.4 secs Computing kpt #: 202 total cpu time spent up to now is 346.5 secs Computing kpt #: 203 total cpu time spent up to now is 347.6 secs Computing kpt #: 204 total cpu time spent up to now is 348.7 secs Computing kpt #: 205 total cpu time spent up to now is 349.9 secs Computing kpt #: 206 total cpu time spent up to now is 351.0 secs Computing kpt #: 207 total cpu time spent up to now is 352.1 secs Computing kpt #: 208 total cpu time spent up to now is 353.2 secs Computing kpt #: 209 total cpu time spent up to now is 354.4 secs Computing kpt #: 210 total cpu time spent up to now is 355.6 secs Computing kpt #: 211 total cpu time spent up to now is 356.8 secs Computing kpt #: 212 total cpu time spent up to now is 358.0 secs Computing kpt #: 213 total cpu time spent up to now is 359.2 secs Computing kpt #: 214 total cpu time spent up to now is 360.5 secs Computing kpt #: 215 total cpu time spent up to now is 361.7 secs Computing kpt #: 216 total cpu time spent up to now is 363.0 secs Computing kpt #: 217 total cpu time spent up to now is 364.2 secs Computing kpt #: 218 total cpu time spent up to now is 365.5 secs Computing kpt #: 219 total cpu time spent up to now is 366.8 secs Computing kpt #: 220 total cpu time spent up to now is 368.1 secs Computing kpt #: 221 total cpu time spent up to now is 369.4 secs Computing kpt #: 222 total cpu time spent up to now is 370.7 secs Computing kpt #: 223 total cpu time spent up to now is 372.0 secs Computing kpt #: 224 total cpu time spent up to now is 373.3 secs Computing kpt #: 225 total cpu time spent up to now is 374.6 secs Computing kpt #: 226 total cpu time spent up to now is 376.0 secs Computing kpt #: 227 total cpu time spent up to now is 377.3 secs Computing kpt #: 228 total cpu time spent up to now is 378.6 secs Computing kpt #: 229 total cpu time spent up to now is 380.0 secs Computing kpt #: 230 total cpu time spent up to now is 381.4 secs Computing kpt #: 231 total cpu time spent up to now is 382.9 secs Computing kpt #: 232 total cpu time spent up to now is 384.8 secs Computing kpt #: 233 total cpu time spent up to now is 386.8 secs Computing kpt #: 234 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 389.2 secs Computing kpt #: 235 total cpu time spent up to now is 390.7 secs Computing kpt #: 236 total cpu time spent up to now is 392.2 secs Computing kpt #: 237 total cpu time spent up to now is 393.5 secs Computing kpt #: 238 total cpu time spent up to now is 394.8 secs Computing kpt #: 239 total cpu time spent up to now is 396.1 secs Computing kpt #: 240 total cpu time spent up to now is 397.4 secs Computing kpt #: 241 total cpu time spent up to now is 398.8 secs Computing kpt #: 242 total cpu time spent up to now is 400.3 secs Computing kpt #: 243 total cpu time spent up to now is 402.4 secs Computing kpt #: 244 total cpu time spent up to now is 404.7 secs Computing kpt #: 245 total cpu time spent up to now is 407.0 secs Computing kpt #: 246 total cpu time spent up to now is 408.5 secs Computing kpt #: 247 total cpu time spent up to now is 410.1 secs Computing kpt #: 248 total cpu time spent up to now is 411.7 secs Computing kpt #: 249 total cpu time spent up to now is 413.5 secs Computing kpt #: 250 total cpu time spent up to now is 415.9 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 418.2 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 420.7 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 423.1 secs Computing kpt #: 254 total cpu time spent up to now is 425.0 secs Computing kpt #: 255 total cpu time spent up to now is 427.2 secs Computing kpt #: 256 total cpu time spent up to now is 428.8 secs Computing kpt #: 257 total cpu time spent up to now is 430.3 secs Computing kpt #: 258 total cpu time spent up to now is 431.8 secs Computing kpt #: 259 total cpu time spent up to now is 433.3 secs Computing kpt #: 260 total cpu time spent up to now is 434.8 secs Computing kpt #: 261 total cpu time spent up to now is 436.3 secs Computing kpt #: 262 total cpu time spent up to now is 437.9 secs Computing kpt #: 263 total cpu time spent up to now is 439.6 secs Computing kpt #: 264 total cpu time spent up to now is 441.7 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 444.2 secs Computing kpt #: 266 total cpu time spent up to now is 446.0 secs Computing kpt #: 267 total cpu time spent up to now is 447.7 secs Computing kpt #: 268 total cpu time spent up to now is 449.3 secs Computing kpt #: 269 total cpu time spent up to now is 451.0 secs Computing kpt #: 270 total cpu time spent up to now is 452.8 secs Computing kpt #: 271 total cpu time spent up to now is 454.4 secs Computing kpt #: 272 total cpu time spent up to now is 455.9 secs Computing kpt #: 273 total cpu time spent up to now is 457.3 secs Computing kpt #: 274 total cpu time spent up to now is 458.6 secs Computing kpt #: 275 total cpu time spent up to now is 460.0 secs Computing kpt #: 276 total cpu time spent up to now is 461.5 secs Computing kpt #: 277 total cpu time spent up to now is 462.9 secs Computing kpt #: 278 total cpu time spent up to now is 464.3 secs Computing kpt #: 279 total cpu time spent up to now is 465.6 secs Computing kpt #: 280 total cpu time spent up to now is 467.0 secs Computing kpt #: 281 total cpu time spent up to now is 468.4 secs Computing kpt #: 282 total cpu time spent up to now is 469.7 secs Computing kpt #: 283 total cpu time spent up to now is 471.1 secs Computing kpt #: 284 total cpu time spent up to now is 472.3 secs Computing kpt #: 285 total cpu time spent up to now is 473.6 secs Computing kpt #: 286 total cpu time spent up to now is 474.9 secs Computing kpt #: 287 total cpu time spent up to now is 476.3 secs Computing kpt #: 288 total cpu time spent up to now is 477.6 secs Computing kpt #: 289 total cpu time spent up to now is 478.8 secs Computing kpt #: 290 total cpu time spent up to now is 480.1 secs Computing kpt #: 291 total cpu time spent up to now is 481.4 secs Computing kpt #: 292 total cpu time spent up to now is 482.6 secs Computing kpt #: 293 total cpu time spent up to now is 483.9 secs Computing kpt #: 294 total cpu time spent up to now is 485.1 secs Computing kpt #: 295 total cpu time spent up to now is 486.4 secs Computing kpt #: 296 total cpu time spent up to now is 487.6 secs Computing kpt #: 297 total cpu time spent up to now is 488.9 secs Computing kpt #: 298 total cpu time spent up to now is 490.0 secs Computing kpt #: 299 total cpu time spent up to now is 491.1 secs Computing kpt #: 300 total cpu time spent up to now is 492.3 secs Computing kpt #: 301 total cpu time spent up to now is 493.5 secs Computing kpt #: 302 total cpu time spent up to now is 494.7 secs Computing kpt #: 303 total cpu time spent up to now is 495.9 secs Computing kpt #: 304 total cpu time spent up to now is 497.0 secs Computing kpt #: 305 total cpu time spent up to now is 498.2 secs Computing kpt #: 306 total cpu time spent up to now is 499.3 secs Computing kpt #: 307 total cpu time spent up to now is 500.6 secs Computing kpt #: 308 total cpu time spent up to now is 501.8 secs Computing kpt #: 309 total cpu time spent up to now is 503.0 secs Computing kpt #: 310 total cpu time spent up to now is 504.1 secs Computing kpt #: 311 total cpu time spent up to now is 505.3 secs Computing kpt #: 312 total cpu time spent up to now is 506.6 secs Computing kpt #: 313 total cpu time spent up to now is 507.8 secs Computing kpt #: 314 total cpu time spent up to now is 509.0 secs Computing kpt #: 315 total cpu time spent up to now is 510.1 secs Computing kpt #: 316 total cpu time spent up to now is 511.4 secs Computing kpt #: 317 total cpu time spent up to now is 512.6 secs Computing kpt #: 318 total cpu time spent up to now is 513.9 secs Computing kpt #: 319 total cpu time spent up to now is 515.4 secs Computing kpt #: 320 total cpu time spent up to now is 517.4 secs Computing kpt #: 321 total cpu time spent up to now is 519.5 secs Computing kpt #: 322 total cpu time spent up to now is 521.3 secs Computing kpt #: 323 total cpu time spent up to now is 522.8 secs Computing kpt #: 324 total cpu time spent up to now is 524.0 secs Computing kpt #: 325 total cpu time spent up to now is 525.2 secs Computing kpt #: 326 total cpu time spent up to now is 526.4 secs Computing kpt #: 327 total cpu time spent up to now is 527.5 secs Computing kpt #: 328 total cpu time spent up to now is 528.7 secs Computing kpt #: 329 total cpu time spent up to now is 529.8 secs Computing kpt #: 330 total cpu time spent up to now is 530.8 secs Computing kpt #: 331 total cpu time spent up to now is 532.0 secs Computing kpt #: 332 total cpu time spent up to now is 533.0 secs Computing kpt #: 333 total cpu time spent up to now is 534.7 secs Computing kpt #: 334 total cpu time spent up to now is 536.3 secs Computing kpt #: 335 total cpu time spent up to now is 537.9 secs Computing kpt #: 336 total cpu time spent up to now is 539.4 secs Computing kpt #: 337 total cpu time spent up to now is 540.9 secs Computing kpt #: 338 total cpu time spent up to now is 542.3 secs Computing kpt #: 339 total cpu time spent up to now is 543.7 secs Computing kpt #: 340 total cpu time spent up to now is 545.0 secs Computing kpt #: 341 total cpu time spent up to now is 546.3 secs Computing kpt #: 342 total cpu time spent up to now is 547.6 secs Computing kpt #: 343 total cpu time spent up to now is 549.0 secs Computing kpt #: 344 total cpu time spent up to now is 550.2 secs Computing kpt #: 345 total cpu time spent up to now is 551.5 secs Computing kpt #: 346 total cpu time spent up to now is 552.9 secs Computing kpt #: 347 total cpu time spent up to now is 554.4 secs Computing kpt #: 348 total cpu time spent up to now is 556.0 secs Computing kpt #: 349 total cpu time spent up to now is 557.9 secs Computing kpt #: 350 total cpu time spent up to now is 560.4 secs Computing kpt #: 351 total cpu time spent up to now is 562.5 secs Computing kpt #: 352 total cpu time spent up to now is 564.3 secs Computing kpt #: 353 total cpu time spent up to now is 566.1 secs Computing kpt #: 354 total cpu time spent up to now is 567.5 secs Computing kpt #: 355 total cpu time spent up to now is 568.8 secs Computing kpt #: 356 total cpu time spent up to now is 570.2 secs Computing kpt #: 357 total cpu time spent up to now is 571.5 secs Computing kpt #: 358 total cpu time spent up to now is 572.7 secs Computing kpt #: 359 total cpu time spent up to now is 573.9 secs Computing kpt #: 360 total cpu time spent up to now is 575.1 secs Computing kpt #: 361 total cpu time spent up to now is 576.3 secs Computing kpt #: 362 total cpu time spent up to now is 577.5 secs ethr = 2.50E-08, avg # of iterations = 51.7 total cpu time spent up to now is 577.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6477 PWs) bands (ev): 2.8909 2.8909 4.8726 4.8726 5.3395 5.3395 5.8198 5.8198 6.4077 6.4077 6.4522 6.4522 6.4604 6.4604 6.5158 6.5158 6.8867 6.8867 7.3626 7.3626 7.6451 7.6451 7.7484 7.7484 7.7934 7.7934 7.8557 7.8557 7.9712 7.9712 8.2108 8.2108 8.2388 8.2388 8.7802 8.7802 8.9658 8.9658 9.1743 9.1743 9.9475 9.9475 9.9964 9.9964 10.0142 10.0142 10.0193 10.0194 k = 0.0052 0.0173-0.0000 ( 6481 PWs) bands (ev): 2.8929 2.8929 4.8740 4.8740 5.3412 5.3412 5.8215 5.8215 6.4090 6.4090 6.4537 6.4537 6.4618 6.4618 6.5173 6.5173 6.8874 6.8874 7.3619 7.3619 7.6449 7.6449 7.7473 7.7473 7.7928 7.7928 7.8556 7.8556 7.9694 7.9694 8.2125 8.2125 8.2380 8.2380 8.7797 8.7797 8.9654 8.9654 9.1738 9.1738 9.9437 9.9437 9.9941 9.9941 10.0092 10.0093 10.0225 10.0252 k = 0.0105 0.0347-0.0000 ( 6473 PWs) bands (ev): 2.8991 2.8991 4.8782 4.8782 5.3464 5.3464 5.8267 5.8267 6.4128 6.4128 6.4581 6.4581 6.4661 6.4661 6.5220 6.5220 6.8893 6.8893 7.3599 7.3599 7.6441 7.6441 7.7440 7.7440 7.7908 7.7908 7.8555 7.8555 7.9643 7.9643 8.2174 8.2174 8.2356 8.2356 8.7781 8.7781 8.9642 8.9642 9.1720 9.1720 9.9326 9.9326 9.9862 9.9862 9.9978 9.9978 10.0111 10.0114 k = 0.0157 0.0520-0.0000 ( 6483 PWs) bands (ev): 2.9094 2.9094 4.8851 4.8851 5.3550 5.3550 5.8353 5.8353 6.4191 6.4191 6.4655 6.4655 6.4731 6.4731 6.5297 6.5297 6.8926 6.8926 7.3566 7.3566 7.6428 7.6428 7.7383 7.7383 7.7879 7.7879 7.8551 7.8551 7.9561 7.9561 8.2253 8.2253 8.2318 8.2318 8.7755 8.7755 8.9622 8.9622 9.1690 9.1690 9.9146 9.9146 9.9706 9.9706 9.9831 9.9831 10.0003 10.0004 k = 0.0210 0.0693-0.0000 ( 6471 PWs) bands (ev): 2.9237 2.9237 4.8948 4.8948 5.3669 5.3669 5.8474 5.8474 6.4279 6.4279 6.4757 6.4757 6.4829 6.4829 6.5406 6.5406 6.8973 6.8973 7.3521 7.3521 7.6412 7.6412 7.7301 7.7301 7.7842 7.7842 7.8543 7.8543 7.9453 7.9453 8.2258 8.2258 8.2363 8.2363 8.7716 8.7716 8.9597 8.9597 9.1648 9.1648 9.8907 9.8907 9.9455 9.9455 9.9653 9.9653 9.9850 9.9850 k = 0.0262 0.0867-0.0000 ( 6463 PWs) bands (ev): 2.9422 2.9422 4.9071 4.9071 5.3821 5.3821 5.8627 5.8627 6.4390 6.4390 6.4888 6.4888 6.4951 6.4951 6.5544 6.5544 6.9033 6.9033 7.3466 7.3466 7.6393 7.6393 7.7193 7.7193 7.7801 7.7801 7.8528 7.8528 7.9322 7.9322 8.2191 8.2191 8.2491 8.2491 8.7663 8.7663 8.9566 8.9566 9.1591 9.1591 9.8621 9.8621 9.9111 9.9111 9.9438 9.9438 9.9654 9.9654 k = 0.0315 0.1040-0.0000 ( 6459 PWs) bands (ev): 2.9646 2.9646 4.9220 4.9220 5.4004 5.4004 5.8813 5.8813 6.4523 6.4523 6.5043 6.5043 6.5097 6.5097 6.5712 6.5712 6.9109 6.9109 7.3402 7.3402 7.6372 7.6372 7.7059 7.7059 7.7754 7.7754 7.8502 7.8502 7.9173 7.9173 8.2111 8.2111 8.2638 8.2638 8.7594 8.7594 8.9533 8.9533 9.1519 9.1519 9.8292 9.8292 9.8690 9.8690 9.9187 9.9187 9.9418 9.9418 k = 0.0367 0.1213-0.0000 ( 6449 PWs) bands (ev): 2.9911 2.9911 4.9395 4.9395 5.4218 5.4218 5.9031 5.9031 6.4676 6.4676 6.5223 6.5223 6.5265 6.5265 6.5909 6.5909 6.9199 6.9199 7.3331 7.3331 7.6350 7.6350 7.6902 7.6902 7.7703 7.7703 7.8463 7.8463 7.9011 7.9011 8.2021 8.2021 8.2802 8.2802 8.7506 8.7506 8.9500 8.9500 9.1431 9.1431 9.7915 9.7915 9.8232 9.8232 9.8906 9.8906 9.9147 9.9147 k = 0.0420 0.1386-0.0000 ( 6445 PWs) bands (ev): 3.0216 3.0216 4.9593 4.9593 5.4459 5.4459 5.9279 5.9279 6.4847 6.4847 6.5424 6.5424 6.5451 6.5451 6.6132 6.6132 6.9306 6.9306 7.3257 7.3257 7.6330 7.6330 7.6723 7.6723 7.7645 7.7645 7.8401 7.8401 7.8846 7.8846 8.1925 8.1925 8.2981 8.2981 8.7395 8.7395 8.9468 8.9468 9.1324 9.1324 9.7472 9.7472 9.7785 9.7785 9.8603 9.8603 9.8844 9.8844 k = 0.0472 0.1560-0.0000 ( 6453 PWs) bands (ev): 3.0559 3.0559 4.9815 4.9815 5.4728 5.4728 5.9557 5.9557 6.5034 6.5034 6.5638 6.5638 6.5659 6.5659 6.6382 6.6382 6.9431 6.9431 7.3180 7.3180 7.6312 7.6312 7.6524 7.6524 7.7581 7.7581 7.8304 7.8304 7.8688 7.8688 8.1828 8.1828 8.3171 8.3171 8.7258 8.7258 8.9440 8.9440 9.1196 9.1196 9.6966 9.6966 9.7369 9.7369 9.8287 9.8287 9.8513 9.8513 k = 0.0525 0.1733-0.0000 ( 6447 PWs) bands (ev): 3.0942 3.0942 5.0060 5.0060 5.5020 5.5020 5.9863 5.9863 6.5235 6.5235 6.5852 6.5852 6.5897 6.5897 6.6655 6.6655 6.9574 6.9574 7.3105 7.3105 7.6281 7.6281 7.6325 7.6325 7.7508 7.7508 7.8158 7.8158 7.8553 7.8553 8.1733 8.1733 8.3373 8.3373 8.7093 8.7093 8.9420 8.9420 9.1047 9.1047 9.6434 9.6434 9.6966 9.6966 9.7967 9.7967 9.8158 9.8158 k = 0.0577 0.1906-0.0000 ( 6451 PWs) bands (ev): 3.1362 3.1362 5.0325 5.0325 5.5335 5.5335 6.0195 6.0195 6.5447 6.5447 6.6068 6.6068 6.6153 6.6153 6.6949 6.6949 6.9738 6.9738 7.3033 7.3033 7.6063 7.6063 7.6304 7.6304 7.7425 7.7425 7.7965 7.7965 7.8437 7.8437 8.1647 8.1647 8.3582 8.3582 8.6895 8.6895 8.9410 8.9410 9.0873 9.0873 9.5901 9.5901 9.6561 9.6561 9.7647 9.7647 9.7786 9.7786 k = 0.0630 0.2080-0.0000 ( 6451 PWs) bands (ev): 3.1820 3.1820 5.0609 5.0609 5.5668 5.5668 6.0553 6.0553 6.5667 6.5667 6.6283 6.6284 6.6423 6.6423 6.7264 6.7264 6.9922 6.9922 7.2968 7.2968 7.5807 7.5807 7.6313 7.6313 7.7331 7.7331 7.7739 7.7739 7.8329 7.8329 8.1576 8.1576 8.3798 8.3798 8.6662 8.6662 8.9413 8.9413 9.0673 9.0673 9.5381 9.5381 9.6151 9.6151 9.7318 9.7318 9.7421 9.7421 k = 0.0682 0.2253-0.0000 ( 6459 PWs) bands (ev): 3.2315 3.2315 5.0911 5.0911 5.6016 5.6016 6.0933 6.0933 6.5892 6.5892 6.6495 6.6495 6.6701 6.6701 6.7596 6.7596 7.0128 7.0128 7.2914 7.2914 7.5534 7.5534 7.6337 7.6337 7.7224 7.7224 7.7496 7.7496 7.8219 7.8219 8.1523 8.1523 8.4018 8.4018 8.6392 8.6392 8.9431 8.9431 9.0446 9.0446 9.4884 9.4884 9.5733 9.5733 9.6939 9.6939 9.7113 9.7113 k = 0.0735 0.2426-0.0000 ( 6467 PWs) bands (ev): 3.2846 3.2846 5.1229 5.1229 5.6376 5.6376 6.1334 6.1334 6.6118 6.6118 6.6697 6.6697 6.6982 6.6982 6.7946 6.7946 7.0355 7.0355 7.2874 7.2874 7.5244 7.5244 7.6378 7.6378 7.7089 7.7089 7.7256 7.7256 7.8102 7.8102 8.1493 8.1493 8.4239 8.4239 8.6084 8.6084 8.9467 8.9467 9.0192 9.0192 9.4416 9.4416 9.5304 9.5304 9.6527 9.6527 9.6854 9.6854 k = 0.0787 0.2600-0.0000 ( 6479 PWs) bands (ev): 3.3412 3.3412 5.1561 5.1561 5.6744 5.6744 6.1753 6.1753 6.6342 6.6342 6.6888 6.6888 6.7260 6.7260 6.8311 6.8311 7.0603 7.0603 7.2851 7.2851 7.4937 7.4937 7.6430 7.6430 7.6892 7.6892 7.7067 7.7067 7.7980 7.7980 8.1491 8.1491 8.4455 8.4455 8.5739 8.5739 8.9515 8.9515 8.9917 8.9917 9.3981 9.3981 9.4866 9.4866 9.6106 9.6106 9.6630 9.6630 k = 0.0840 0.2773-0.0000 ( 6485 PWs) bands (ev): 3.4012 3.4012 5.1906 5.1906 5.7116 5.7116 6.2188 6.2188 6.6559 6.6559 6.7064 6.7064 6.7529 6.7529 6.8693 6.8693 7.0868 7.0868 7.2849 7.2849 7.4614 7.4614 7.6428 7.6428 7.6711 7.6711 7.6923 7.6923 7.7854 7.7854 8.1518 8.1518 8.4659 8.4659 8.5362 8.5362 8.9498 8.9498 8.9702 8.9702 9.3583 9.3583 9.4416 9.4416 9.5684 9.5684 9.6437 9.6437 k = 0.0892 0.2946-0.0000 ( 6479 PWs) bands (ev): 3.4646 3.4646 5.2261 5.2261 5.7487 5.7487 6.2638 6.2638 6.6764 6.6764 6.7227 6.7227 6.7780 6.7780 6.9092 6.9092 7.1148 7.1148 7.2871 7.2871 7.4277 7.4277 7.6215 7.6215 7.6713 7.6713 7.6822 7.6822 7.7727 7.7727 8.1577 8.1577 8.4791 8.4791 8.5011 8.5011 8.9217 8.9217 8.9750 8.9750 9.3223 9.3223 9.3956 9.3956 9.5271 9.5271 9.6276 9.6276 k = 0.0945 0.3120-0.0000 ( 6487 PWs) bands (ev): 3.5313 3.5313 5.2624 5.2624 5.7853 5.7853 6.3098 6.3098 6.6949 6.6949 6.7378 6.7378 6.8005 6.8005 6.9507 6.9507 7.1439 7.1439 7.2922 7.2922 7.3930 7.3930 7.5915 7.5915 7.6610 7.6610 7.6932 7.6932 7.7601 7.7601 8.1668 8.1668 8.4456 8.4456 8.5082 8.5082 8.8866 8.8866 8.9865 8.9865 9.2899 9.2899 9.3486 9.3486 9.4875 9.4875 9.6143 9.6143 k = 0.0997 0.3293-0.0000 ( 6485 PWs) bands (ev): 3.6011 3.6011 5.2994 5.2994 5.8209 5.8209 6.3566 6.3566 6.7104 6.7104 6.7525 6.7525 6.8198 6.8198 6.9938 6.9938 7.1736 7.1736 7.3003 7.3003 7.3576 7.3576 7.5592 7.5592 7.6461 7.6461 7.7131 7.7131 7.7483 7.7483 8.1791 8.1791 8.3988 8.3988 8.5238 8.5238 8.8495 8.8495 8.9996 8.9996 9.2607 9.2607 9.3011 9.3011 9.4510 9.4510 9.6036 9.6036 k = 0.1050 0.3466-0.0000 ( 6477 PWs) bands (ev): 3.6739 3.6739 5.3367 5.3367 5.8551 5.8551 6.4041 6.4041 6.7219 6.7219 6.7675 6.7675 6.8353 6.8353 7.0386 7.0386 7.2033 7.2033 7.3104 7.3104 7.3235 7.3235 7.5259 7.5259 7.6303 7.6303 7.7296 7.7296 7.7451 7.7451 8.1945 8.1945 8.3492 8.3492 8.5379 8.5379 8.8113 8.8113 9.0125 9.0125 9.2315 9.2315 9.2564 9.2564 9.4193 9.4193 9.5952 9.5952 k = 0.1102 0.3640-0.0000 ( 6469 PWs) bands (ev): 3.7497 3.7497 5.3742 5.3742 5.8875 5.8875 6.4518 6.4518 6.7292 6.7292 6.7827 6.7827 6.8465 6.8465 7.0847 7.0847 7.2320 7.2320 7.2868 7.2868 7.3284 7.3284 7.4919 7.4919 7.6137 7.6137 7.7215 7.7215 7.7712 7.7712 8.2129 8.2129 8.2976 8.2976 8.5498 8.5498 8.7727 8.7727 9.0226 9.0226 9.1913 9.1913 9.2255 9.2255 9.3949 9.3949 9.5887 9.5887 k = 0.1155 0.3813-0.0000 ( 6465 PWs) bands (ev): 3.8282 3.8282 5.4115 5.4115 5.9176 5.9176 6.4997 6.4997 6.7325 6.7325 6.7978 6.7978 6.8528 6.8528 7.1321 7.1321 7.2418 7.2418 7.2725 7.2725 7.3474 7.3474 7.4575 7.4575 7.5966 7.5966 7.7106 7.7106 7.8045 7.8045 8.2340 8.2340 8.2446 8.2446 8.5592 8.5592 8.7345 8.7345 9.0271 9.0271 9.1422 9.1422 9.2065 9.2065 9.3805 9.3805 9.5837 9.5837 k = 0.1207 0.3986-0.0000 ( 6449 PWs) bands (ev): 3.9095 3.9095 5.4486 5.4486 5.9453 5.9453 6.5475 6.5475 6.7322 6.7322 6.8121 6.8121 6.8543 6.8543 7.1797 7.1797 7.2135 7.2135 7.2981 7.2981 7.3707 7.3707 7.4231 7.4231 7.5790 7.5790 7.6997 7.6997 7.8416 7.8416 8.1907 8.1907 8.2574 8.2574 8.5663 8.5663 8.6974 8.6974 9.0232 9.0232 9.0910 9.0910 9.1932 9.1932 9.3787 9.3787 9.5799 9.5799 k = 0.1260 0.4159-0.0000 ( 6455 PWs) bands (ev): 3.9932 3.9932 5.4851 5.4851 5.9702 5.9702 6.5949 6.5949 6.7287 6.7287 6.8244 6.8244 6.8514 6.8514 7.1808 7.1808 7.2299 7.2299 7.3277 7.3277 7.3884 7.3884 7.3989 7.3989 7.5611 7.5611 7.6893 7.6893 7.8812 7.8812 8.1363 8.1363 8.2825 8.2825 8.5709 8.5709 8.6619 8.6619 9.0099 9.0099 9.0392 9.0392 9.1845 9.1845 9.3897 9.3897 9.5769 9.5769 k = 0.1312 0.4333-0.0000 ( 6459 PWs) bands (ev): 4.0793 4.0793 5.5208 5.5208 5.9924 5.9924 6.6419 6.6419 6.7224 6.7224 6.8291 6.8291 6.8493 6.8493 7.1522 7.1522 7.2768 7.2768 7.3513 7.3513 7.3628 7.3628 7.4297 7.4297 7.5430 7.5430 7.6797 7.6797 7.9223 7.9223 8.0819 8.0819 8.3086 8.3086 8.5731 8.5731 8.6292 8.6292 8.9848 8.9848 8.9913 8.9913 9.1802 9.1802 9.4121 9.4121 9.5744 9.5744 k = 0.1365 0.4506-0.0000 ( 6465 PWs) bands (ev): 4.1677 4.1677 5.5556 5.5556 6.0118 6.0118 6.6881 6.6881 6.7135 6.7135 6.8182 6.8182 6.8563 6.8563 7.1261 7.1261 7.3053 7.3053 7.3406 7.3406 7.3899 7.3899 7.4645 7.4645 7.5250 7.5250 7.6715 7.6715 7.9636 7.9636 8.0278 8.0278 8.3348 8.3348 8.5722 8.5722 8.6009 8.6009 8.9356 8.9356 8.9626 8.9626 9.1802 9.1802 9.4430 9.4430 9.5724 9.5724 k = 0.1417 0.4679-0.0000 ( 6467 PWs) bands (ev): 4.2581 4.2581 5.5891 5.5891 6.0284 6.0284 6.7018 6.7018 6.7339 6.7339 6.7989 6.7989 6.8657 6.8657 7.1027 7.1027 7.2800 7.2800 7.3786 7.3786 7.4204 7.4204 7.4980 7.4980 7.5120 7.5120 7.6658 7.6658 7.9742 7.9742 8.0039 8.0039 8.3603 8.3603 8.5640 8.5640 8.5826 8.5826 8.8862 8.8862 8.9320 8.9320 9.1845 9.1845 9.4796 9.4796 9.5707 9.5707 k = 0.1470 0.4853-0.0000 ( 6463 PWs) bands (ev): 4.3504 4.3504 5.6213 5.6213 6.0424 6.0424 6.6883 6.6883 6.7701 6.7701 6.7828 6.7828 6.8748 6.8748 7.0820 7.0820 7.2478 7.2478 7.4202 7.4202 7.4501 7.4501 7.4879 7.4879 7.5466 7.5466 7.6645 7.6645 7.9218 7.9218 8.0409 8.0409 8.3839 8.3839 8.5484 8.5484 8.5759 8.5759 8.8392 8.8392 8.8997 8.8997 9.1932 9.1932 9.5189 9.5189 9.5704 9.5704 k = 0.1522 0.5026-0.0000 ( 6471 PWs) bands (ev): 4.4444 4.4444 5.6520 5.6520 6.0541 6.0541 6.6727 6.6727 6.7452 6.7452 6.8233 6.8233 6.8833 6.8833 7.0633 7.0633 7.2155 7.2155 7.4539 7.4539 7.4658 7.4658 7.4867 7.4867 7.5903 7.5903 7.6706 7.6706 7.8709 7.8709 8.0729 8.0729 8.4041 8.4041 8.5370 8.5370 8.5711 8.5711 8.7956 8.7956 8.8668 8.8668 9.2061 9.2061 9.5498 9.5498 9.5807 9.5807 k = 0.1575 0.5199-0.0000 ( 6485 PWs) bands (ev): 4.5398 4.5398 5.6810 5.6810 6.0636 6.0636 6.6554 6.6554 6.7148 6.7148 6.8642 6.8642 6.8923 6.8923 7.0462 7.0462 7.1837 7.1837 7.4475 7.4475 7.4808 7.4808 7.5155 7.5155 7.6359 7.6359 7.6873 7.6873 7.8223 7.8223 8.0979 8.0979 8.4193 8.4193 8.5340 8.5340 8.5659 8.5659 8.7572 8.7572 8.8340 8.8340 9.2230 9.2230 9.5551 9.5551 9.6177 9.6177 k = 0.1627 0.5373-0.0000 ( 6477 PWs) bands (ev): 4.6366 4.6366 5.7083 5.7083 6.0712 6.0712 6.6366 6.6366 6.6829 6.6829 6.8896 6.8896 6.9149 6.9149 7.0302 7.0302 7.1528 7.1528 7.4304 7.4304 7.4914 7.4914 7.5477 7.5477 7.6807 7.6807 7.7144 7.7144 7.7796 7.7796 8.1146 8.1146 8.4275 8.4275 8.5410 8.5410 8.5603 8.5603 8.7258 8.7258 8.8020 8.8020 9.2437 9.2437 9.5530 9.5530 9.6626 9.6626 k = 0.1680 0.5546-0.0000 ( 6477 PWs) bands (ev): 4.7343 4.7343 5.7338 5.7338 6.0773 6.0773 6.6164 6.6164 6.6503 6.6503 6.8972 6.8972 6.9529 6.9529 7.0151 7.0151 7.1230 7.1230 7.4130 7.4130 7.4923 7.4923 7.5801 7.5801 7.7009 7.7009 7.7456 7.7456 7.7699 7.7699 8.1228 8.1228 8.4270 8.4270 8.5509 8.5509 8.5613 8.5613 8.7028 8.7028 8.7713 8.7713 9.2677 9.2677 9.5492 9.5492 9.7090 9.7090 k = 0.1732 0.5719-0.0000 ( 6467 PWs) bands (ev): 4.8328 4.8328 5.7574 5.7574 6.0821 6.0821 6.5951 6.5951 6.6177 6.6177 6.9016 6.9016 6.9877 6.9877 7.0044 7.0044 7.0944 7.0944 7.3957 7.3957 7.4871 7.4871 7.6121 7.6121 7.6695 7.6695 7.7898 7.7898 7.8075 7.8075 8.1238 8.1238 8.4175 8.4175 8.5451 8.5451 8.5866 8.5866 8.6887 8.6887 8.7424 8.7424 9.2943 9.2943 9.5446 9.5446 9.7556 9.7556 k = 0.1785 0.5893-0.0000 ( 6461 PWs) bands (ev): 4.9317 4.9317 5.7792 5.7792 6.0858 6.0858 6.5728 6.5728 6.5859 6.5859 6.9046 6.9046 6.9820 6.9820 7.0329 7.0329 7.0672 7.0672 7.3786 7.3786 7.4783 7.4783 7.6302 7.6302 7.6433 7.6433 7.8385 7.8385 7.8543 7.8543 8.1198 8.1198 8.4005 8.4005 8.5375 8.5375 8.6195 8.6195 8.6816 8.6816 8.7170 8.7170 9.3226 9.3226 9.5393 9.5393 9.8021 9.8021 k = 0.1837 0.6066-0.0000 ( 6471 PWs) bands (ev): 5.0306 5.0306 5.7992 5.7992 6.0888 6.0888 6.5491 6.5491 6.5557 6.5557 6.9066 6.9066 6.9670 6.9670 7.0411 7.0411 7.0696 7.0696 7.3617 7.3617 7.4673 7.4673 7.5918 7.5918 7.6736 7.6736 7.8877 7.8877 7.9032 7.9032 8.1131 8.1131 8.3786 8.3786 8.5294 8.5294 8.6538 8.6538 8.6737 8.6737 8.7035 8.7035 9.3515 9.3515 9.5335 9.5335 9.8481 9.8481 k = 0.1890 0.6239-0.0000 ( 6479 PWs) bands (ev): 5.1292 5.1292 5.8173 5.8173 6.0911 6.0911 6.5227 6.5227 6.5292 6.5292 6.9074 6.9074 6.9511 6.9511 7.0174 7.0174 7.1042 7.1042 7.3446 7.3446 7.4553 7.4553 7.5560 7.5560 7.7027 7.7027 7.9361 7.9361 7.9525 7.9525 8.1056 8.1056 8.3546 8.3546 8.5209 8.5209 8.6556 8.6556 8.6757 8.6757 8.7214 8.7214 9.3795 9.3795 9.5273 9.5273 9.8846 9.8863 k = 0.1942 0.6412-0.0000 ( 6489 PWs) bands (ev): 5.2271 5.2271 5.8335 5.8335 6.0932 6.0932 6.4956 6.4956 6.5051 6.5051 6.9068 6.9068 6.9347 6.9347 6.9959 6.9959 7.1369 7.1369 7.3273 7.3273 7.4426 7.4426 7.5235 7.5235 7.7303 7.7303 7.9829 7.9829 8.0014 8.0014 8.0990 8.0990 8.3307 8.3307 8.5121 8.5121 8.6350 8.6350 8.6834 8.6834 8.7616 8.7616 9.4045 9.4045 9.5210 9.5210 9.8424 9.8424 k = 0.1994 0.6586-0.0000 ( 6487 PWs) bands (ev): 5.3235 5.3235 5.8480 5.8480 6.0951 6.0951 6.4701 6.4701 6.4815 6.4815 6.9043 6.9043 6.9177 6.9177 6.9775 6.9775 7.1673 7.1673 7.3096 7.3096 7.4298 7.4298 7.4947 7.4947 7.7560 7.7560 8.0266 8.0266 8.0493 8.0493 8.0948 8.0948 8.3086 8.3086 8.5031 8.5031 8.6154 8.6154 8.6882 8.6882 8.8076 8.8076 9.4236 9.4236 9.5152 9.5152 9.8042 9.8042 k = 0.2047 0.6759-0.0000 ( 6505 PWs) bands (ev): 5.4179 5.4179 5.8605 5.8605 6.0970 6.0970 6.4471 6.4471 6.4584 6.4584 6.8989 6.8989 6.9001 6.9001 6.9630 6.9630 7.1950 7.1950 7.2912 7.2912 7.4170 7.4170 7.4701 7.4701 7.7797 7.7797 8.0644 8.0644 8.0938 8.0938 8.0979 8.0979 8.2894 8.2894 8.4939 8.4939 8.5977 8.5977 8.6923 8.6923 8.8549 8.8549 9.4332 9.4332 9.5101 9.5101 9.7747 9.7747 k = 0.2099 0.6932-0.0000 ( 6497 PWs) bands (ev): 5.5093 5.5093 5.8712 5.8712 6.0991 6.0991 6.4269 6.4269 6.4362 6.4362 6.8818 6.8818 6.8902 6.8902 6.9533 6.9533 7.2199 7.2199 7.2721 7.2721 7.4045 7.4045 7.4499 7.4499 7.8010 7.8010 8.0850 8.0850 8.1111 8.1111 8.1417 8.1417 8.2744 8.2744 8.4847 8.4847 8.5821 8.5821 8.6966 8.6966 8.9016 8.9016 9.4312 9.4312 9.5050 9.5050 9.7573 9.7573 k = 0.2152 0.7106-0.0000 ( 6497 PWs) bands (ev): 5.5967 5.5967 5.8799 5.8799 6.1014 6.1014 6.4089 6.4089 6.4167 6.4167 6.8630 6.8630 6.8785 6.8785 6.9480 6.9480 7.2415 7.2415 7.2525 7.2525 7.3925 7.3925 7.4342 7.4342 7.8201 7.8201 8.0928 8.0928 8.1358 8.1358 8.1854 8.1854 8.2645 8.2645 8.4754 8.4754 8.5686 8.5686 8.7020 8.7020 8.9457 8.9457 9.4192 9.4192 9.4981 9.4981 9.7527 9.7529 k = 0.2204 0.7279-0.0000 ( 6493 PWs) bands (ev): 5.6787 5.6787 5.8864 5.8864 6.1042 6.1042 6.3902 6.3902 6.4040 6.4040 6.8436 6.8436 6.8653 6.8653 6.9459 6.9459 7.2320 7.2320 7.2605 7.2605 7.3811 7.3811 7.4228 7.4228 7.8372 7.8372 8.1011 8.1011 8.1542 8.1542 8.2263 8.2263 8.2610 8.2610 8.4663 8.4663 8.5572 8.5572 8.7096 8.7096 8.9846 8.9846 9.4016 9.4016 9.4890 9.4890 9.7191 9.7191 k = 0.2257 0.7452-0.0000 ( 6489 PWs) bands (ev): 5.7536 5.7536 5.8907 5.8907 6.1075 6.1075 6.3713 6.3713 6.3991 6.3991 6.8237 6.8237 6.8516 6.8516 6.9459 6.9459 7.2120 7.2120 7.2760 7.2760 7.3704 7.3704 7.4156 7.4156 7.8527 7.8527 8.1110 8.1110 8.1645 8.1645 8.2516 8.2516 8.2755 8.2755 8.4575 8.4575 8.5477 8.5477 8.7205 8.7205 9.0143 9.0143 9.3847 9.3847 9.4788 9.4788 9.6583 9.6583 k = 0.2309 0.7626-0.0000 ( 6481 PWs) bands (ev): 5.8194 5.8194 5.8924 5.8924 6.1114 6.1114 6.3538 6.3538 6.4021 6.4021 6.8036 6.8036 6.8382 6.8382 6.9475 6.9475 7.1924 7.1924 7.2884 7.2884 7.3608 7.3608 7.4120 7.4120 7.8673 7.8673 8.1219 8.1219 8.1683 8.1683 8.2542 8.2542 8.3118 8.3118 8.4490 8.4490 8.5400 8.5400 8.7359 8.7359 9.0295 9.0295 9.3758 9.3758 9.4685 9.4685 9.5971 9.5971 k = 0.2362 0.7799-0.0000 ( 6485 PWs) bands (ev): 5.8738 5.8738 5.8917 5.8917 6.1160 6.1160 6.3384 6.3384 6.4140 6.4140 6.7834 6.7834 6.8254 6.8254 6.9504 6.9504 7.1735 7.1735 7.2977 7.2977 7.3525 7.3525 7.4117 7.4117 7.8813 7.8813 8.1327 8.1327 8.1676 8.1676 8.2522 8.2522 8.3490 8.3490 8.4411 8.4411 8.5338 8.5338 8.7563 8.7563 9.0265 9.0265 9.3792 9.3792 9.4595 9.4595 9.5375 9.5375 k = 0.2414 0.7972-0.0000 ( 6477 PWs) bands (ev): 5.8868 5.8868 5.9169 5.9169 6.1213 6.1213 6.3254 6.3254 6.4351 6.4351 6.7634 6.7634 6.8134 6.8134 6.9544 6.9544 7.1557 7.1557 7.3042 7.3042 7.3457 7.3457 7.4145 7.4145 7.8951 7.8951 8.1427 8.1427 8.1620 8.1620 8.2481 8.2481 8.3847 8.3847 8.4342 8.4342 8.5290 8.5290 8.7816 8.7816 9.0064 9.0064 9.3909 9.3909 9.4552 9.4552 9.4808 9.4808 k = 0.2467 0.8146-0.0000 ( 6477 PWs) bands (ev): 5.8794 5.8794 5.9468 5.9468 6.1274 6.1274 6.3152 6.3152 6.4643 6.4643 6.7445 6.7445 6.8022 6.8022 6.9595 6.9595 7.1391 7.1391 7.3081 7.3081 7.3406 7.3406 7.4203 7.4203 7.9085 7.9085 8.1474 8.1474 8.1529 8.1529 8.2451 8.2451 8.4139 8.4139 8.4328 8.4328 8.5254 8.5254 8.8110 8.8110 8.9739 8.9739 9.3928 9.3928 9.4310 9.4310 9.4665 9.4665 k = 0.2519 0.8319-0.0000 ( 6489 PWs) bands (ev): 5.8685 5.8685 5.9657 5.9657 6.1343 6.1343 6.3080 6.3080 6.4981 6.4981 6.7278 6.7278 6.7919 6.7919 6.9658 6.9658 7.1238 7.1238 7.3096 7.3096 7.3373 7.3373 7.4288 7.4288 7.9210 7.9210 8.1264 8.1264 8.1586 8.1586 8.2462 8.2462 8.4160 8.4160 8.4577 8.4577 8.5230 8.5230 8.8433 8.8433 8.9343 8.9343 9.3609 9.3609 9.4058 9.4058 9.4951 9.4951 k = 0.2572 0.8492-0.0000 ( 6501 PWs) bands (ev): 5.8540 5.8540 5.9758 5.9758 6.1421 6.1421 6.3039 6.3039 6.5313 6.5313 6.7159 6.7159 6.7825 6.7825 6.9734 6.9734 7.1100 7.1100 7.3094 7.3094 7.3357 7.3357 7.4401 7.4401 7.9316 7.9316 8.0954 8.0954 8.1641 8.1641 8.2519 8.2519 8.4104 8.4104 8.4891 8.4891 8.5217 8.5217 8.8714 8.8714 8.8973 8.8973 9.3149 9.3149 9.3918 9.3918 9.5315 9.5315 k = 0.2624 0.8666-0.0000 ( 6497 PWs) bands (ev): 5.8360 5.8360 5.9791 5.9791 6.1508 6.1508 6.3027 6.3027 6.5566 6.5566 6.7133 6.7133 6.7741 6.7741 6.9822 6.9822 7.0978 7.0978 7.3079 7.3079 7.3355 7.3355 7.4540 7.4540 7.9388 7.9388 8.0573 8.0573 8.1692 8.1692 8.2614 8.2614 8.4043 8.4043 8.5175 8.5175 8.5240 8.5240 8.8405 8.8405 8.9183 8.9183 9.2702 9.2702 9.3777 9.3777 9.5692 9.5692 k = 0.2677 0.8839-0.0000 ( 6501 PWs) bands (ev): 5.8147 5.8147 5.9774 5.9774 6.1604 6.1604 6.3044 6.3044 6.5671 6.5671 6.7238 6.7238 6.7671 6.7671 6.9923 6.9923 7.0870 7.0870 7.3055 7.3055 7.3366 7.3366 7.4706 7.4706 7.9407 7.9407 8.0143 8.0143 8.1754 8.1754 8.2734 8.2734 8.3978 8.3978 8.5209 8.5209 8.5510 8.5510 8.7953 8.7953 8.9526 8.9526 9.2295 9.2295 9.3630 9.3630 9.6049 9.6049 k = 0.2729 0.9012-0.0000 ( 6497 PWs) bands (ev): 5.7903 5.7903 5.9720 5.9720 6.1709 6.1709 6.3087 6.3087 6.5632 6.5632 6.7417 6.7417 6.7648 6.7648 7.0038 7.0038 7.0778 7.0778 7.3022 7.3022 7.3392 7.3392 7.4897 7.4897 7.9348 7.9348 7.9686 7.9686 8.1844 8.1844 8.2868 8.2868 8.3908 8.3908 8.5222 8.5222 8.5796 8.5796 8.7499 8.7499 8.9846 8.9846 9.1945 9.1945 9.3476 9.3476 9.6346 9.6347 k = 0.2729 0.9012-0.0000 ( 6497 PWs) bands (ev): 5.7903 5.7903 5.9720 5.9720 6.1709 6.1709 6.3087 6.3087 6.5632 6.5632 6.7417 6.7417 6.7648 6.7648 7.0038 7.0038 7.0778 7.0778 7.3022 7.3022 7.3392 7.3392 7.4897 7.4897 7.9348 7.9348 7.9686 7.9686 8.1844 8.1844 8.2868 8.2868 8.3908 8.3908 8.5222 8.5222 8.5796 8.5796 8.7499 8.7499 8.9846 8.9846 9.1945 9.1945 9.3476 9.3476 9.6346 9.6347 k = 0.2547 0.9012-0.0000 ( 6503 PWs) bands (ev): 5.7974 5.7974 5.9746 5.9746 6.1687 6.1687 6.3007 6.3007 6.5733 6.5733 6.7368 6.7368 6.7630 6.7630 6.9982 6.9982 7.0824 7.0824 7.2994 7.2994 7.3414 7.3414 7.4847 7.4847 7.9302 7.9302 7.9864 7.9864 8.1782 8.1782 8.2888 8.2888 8.3814 8.3814 8.5175 8.5175 8.5890 8.5890 8.7634 8.7634 8.9749 8.9749 9.2039 9.2039 9.3532 9.3532 9.6229 9.6229 k = 0.2365 0.9012-0.0000 ( 6499 PWs) bands (ev): 5.8033 5.8033 5.9787 5.9787 6.1685 6.1685 6.2823 6.2823 6.5955 6.5955 6.7315 6.7315 6.7592 6.7592 6.9894 6.9894 7.0903 7.0903 7.2919 7.2919 7.3472 7.3472 7.4815 7.4815 7.9160 7.9160 8.0068 8.0068 8.1679 8.1679 8.3004 8.3004 8.3538 8.3538 8.5120 8.5120 8.6213 8.6213 8.7774 8.7774 8.9635 8.9635 9.2140 9.2140 9.3607 9.3607 9.6075 9.6075 k = 0.2183 0.9012-0.0000 ( 6495 PWs) bands (ev): 5.8079 5.8079 5.9846 5.9846 6.1702 6.1702 6.2579 6.2579 6.6250 6.6250 6.7270 6.7270 6.7528 6.7528 6.9791 6.9791 7.0996 7.0996 7.2831 7.2831 7.3530 7.3530 7.4802 7.4802 7.8968 7.8968 8.0241 8.0241 8.1593 8.1593 8.3121 8.3121 8.3223 8.3223 8.5098 8.5098 8.6631 8.6631 8.7913 8.7913 8.9510 8.9510 9.2251 9.2251 9.3702 9.3702 9.5916 9.5916 k = 0.2001 0.9012-0.0000 ( 6496 PWs) bands (ev): 5.8110 5.8110 5.9923 5.9923 6.1739 6.1739 6.2309 6.2309 6.6564 6.6564 6.7251 6.7251 6.7440 6.7440 6.9683 6.9683 7.1094 7.1094 7.2747 7.2747 7.3574 7.3574 7.4806 7.4806 7.8745 7.8745 8.0343 8.0343 8.1579 8.1579 8.2764 8.2764 8.3368 8.3368 8.5096 8.5096 8.7092 8.7092 8.8040 8.8040 8.9384 8.9384 9.2375 9.2375 9.3813 9.3813 9.5757 9.5757 k = 0.1820 0.9012-0.0000 ( 6500 PWs) bands (ev): 5.8128 5.8128 6.0017 6.0017 6.1792 6.1792 6.2037 6.2037 6.6802 6.6802 6.7296 6.7296 6.7367 6.7367 6.9576 6.9576 7.1189 7.1189 7.2674 7.2674 7.3596 7.3596 7.4828 7.4828 7.8502 7.8502 8.0356 8.0356 8.1666 8.1666 8.2370 8.2370 8.3546 8.3546 8.5106 8.5106 8.7571 8.7571 8.8141 8.8141 8.9274 8.9274 9.2516 9.2516 9.3938 9.3938 9.5602 9.5602 k = 0.1638 0.9012-0.0000 ( 6506 PWs) bands (ev): 5.8134 5.8134 6.0124 6.0124 6.1762 6.1762 6.1872 6.1872 6.6865 6.6865 6.7185 6.7185 6.7613 6.7613 6.9475 6.9475 7.1277 7.1277 7.2615 7.2615 7.3591 7.3591 7.4864 7.4864 7.8247 7.8247 8.0305 8.0305 8.1823 8.1823 8.1997 8.1997 8.3705 8.3705 8.5123 8.5123 8.8035 8.8035 8.8222 8.8222 8.9196 8.9196 9.2678 9.2678 9.4074 9.4074 9.5452 9.5452 k = 0.1456 0.9012-0.0000 ( 6504 PWs) bands (ev): 5.8131 5.8131 6.0237 6.0237 6.1523 6.1523 6.1952 6.1952 6.6828 6.6828 6.7043 6.7043 6.7976 6.7976 6.9383 6.9383 7.1357 7.1357 7.2572 7.2572 7.3559 7.3559 7.4914 7.4914 7.7991 7.7991 8.0229 8.0229 8.1615 8.1615 8.2054 8.2054 8.3835 8.3835 8.5144 8.5144 8.8170 8.8170 8.8576 8.8576 8.9163 8.9163 9.2861 9.2861 9.4215 9.4215 9.5311 9.5311 k = 0.1274 0.9012-0.0000 ( 6502 PWs) bands (ev): 5.8122 5.8122 6.0347 6.0347 6.1309 6.1309 6.2048 6.2048 6.6747 6.6747 6.6903 6.6903 6.8362 6.8362 6.9301 6.9301 7.1427 7.1427 7.2544 7.2544 7.3496 7.3496 7.4974 7.4974 7.7740 7.7740 8.0151 8.0151 8.1282 8.1282 8.2278 8.2278 8.3932 8.3932 8.5166 8.5166 8.8134 8.8134 8.9031 8.9031 8.9184 8.9184 9.3064 9.3064 9.4357 9.4357 9.5184 9.5184 k = 0.1092 0.9012-0.0000 ( 6503 PWs) bands (ev): 5.8109 5.8109 6.0438 6.0438 6.1139 6.1139 6.2151 6.2151 6.6623 6.6623 6.6792 6.6792 6.8745 6.8745 6.9232 6.9232 7.1486 7.1486 7.2529 7.2529 7.3406 7.3406 7.5041 7.5041 7.7503 7.7503 8.0084 8.0084 8.0978 8.0978 8.2506 8.2506 8.3992 8.3992 8.5189 8.5189 8.8073 8.8073 8.9170 8.9170 8.9524 8.9524 9.3282 9.3282 9.4492 9.4492 9.5079 9.5079 k = 0.0910 0.9012-0.0000 ( 6503 PWs) bands (ev): 5.8096 5.8096 6.0486 6.0486 6.1033 6.1033 6.2257 6.2257 6.6473 6.6473 6.6707 6.6707 6.9076 6.9076 6.9211 6.9211 7.1535 7.1535 7.2527 7.2527 7.3290 7.3290 7.5110 7.5110 7.7287 7.7287 8.0033 8.0033 8.0710 8.0710 8.2726 8.2726 8.4012 8.4012 8.5211 8.5211 8.8012 8.8012 8.9196 8.9196 8.9951 8.9951 9.3504 9.3504 9.4607 9.4607 9.5010 9.5010 k = 0.0728 0.9012-0.0000 ( 6511 PWs) bands (ev): 5.8083 5.8083 6.0471 6.0471 6.1008 6.1008 6.2360 6.2360 6.6323 6.6323 6.6638 6.6638 6.9099 6.9099 6.9484 6.9484 7.1574 7.1574 7.2534 7.2534 7.3155 7.3155 7.5178 7.5178 7.7099 7.7099 7.9996 7.9996 8.0480 8.0480 8.2933 8.2933 8.3995 8.3995 8.5230 8.5230 8.7963 8.7963 8.9213 8.9213 9.0338 9.0338 9.3712 9.3712 9.4692 9.4692 9.4997 9.4997 k = 0.0546 0.9012-0.0000 ( 6507 PWs) bands (ev): 5.8072 5.8072 6.0416 6.0416 6.1037 6.1037 6.2452 6.2452 6.6189 6.6189 6.6580 6.6580 6.9065 6.9065 6.9786 6.9786 7.1603 7.1603 7.2548 7.2548 7.3011 7.3011 7.5238 7.5238 7.6947 7.6947 7.9973 7.9973 8.0295 8.0295 8.3125 8.3125 8.3944 8.3944 8.5246 8.5246 8.7932 8.7932 8.9221 8.9221 9.0667 9.0667 9.3883 9.3883 9.4750 9.4750 9.5048 9.5048 k = 0.0364 0.9012-0.0000 ( 6506 PWs) bands (ev): 5.8063 5.8063 6.0359 6.0359 6.1078 6.1078 6.2526 6.2526 6.6083 6.6083 6.6537 6.6537 6.9038 6.9038 7.0032 7.0032 7.1623 7.1623 7.2568 7.2568 7.2874 7.2874 7.5285 7.5285 7.6833 7.6833 7.9961 7.9961 8.0157 8.0157 8.3300 8.3300 8.3864 8.3864 8.5258 8.5258 8.7915 8.7915 8.9223 8.9223 9.0921 9.0921 9.3995 9.3995 9.4802 9.4802 9.5148 9.5148 k = 0.0182 0.9012-0.0000 ( 6508 PWs) bands (ev): 5.8058 5.8058 6.0320 6.0320 6.1109 6.1109 6.2575 6.2575 6.6015 6.6015 6.6509 6.6509 6.9022 6.9022 7.0196 7.0196 7.1635 7.1635 7.2594 7.2594 7.2763 7.2763 7.5316 7.5316 7.6764 7.6764 7.9957 7.9957 8.0070 8.0070 8.3453 8.3453 8.3765 8.3765 8.5265 8.5265 8.7907 8.7907 8.9222 8.9222 9.1083 9.1083 9.4052 9.4052 9.4844 9.4844 9.5275 9.5275 k = 0.0000 0.9012-0.0000 ( 6504 PWs) bands (ev): 5.8056 5.8056 6.0307 6.0307 6.1121 6.1121 6.2591 6.2591 6.5991 6.5991 6.6500 6.6500 6.9016 6.9016 7.0255 7.0255 7.1638 7.1638 7.2614 7.2614 7.2711 7.2711 7.5327 7.5327 7.6740 7.6740 7.9958 7.9958 8.0040 8.0040 8.3544 8.3544 8.3692 8.3692 8.5268 8.5268 8.7906 8.7906 8.9221 8.9221 9.1138 9.1138 9.4067 9.4067 9.4859 9.4859 9.5348 9.5349 k = 0.0000 0.9012-0.0000 ( 6504 PWs) bands (ev): 5.8056 5.8056 6.0307 6.0307 6.1121 6.1121 6.2591 6.2591 6.5991 6.5991 6.6500 6.6500 6.9016 6.9016 7.0255 7.0255 7.1638 7.1638 7.2614 7.2614 7.2711 7.2711 7.5327 7.5327 7.6740 7.6740 7.9958 7.9958 8.0040 8.0040 8.3544 8.3544 8.3692 8.3692 8.5268 8.5268 8.7906 8.7906 8.9221 8.9221 9.1138 9.1138 9.4067 9.4067 9.4859 9.4859 9.5348 9.5348 k = 0.0000 0.9012 0.0180 ( 6506 PWs) bands (ev): 5.8070 5.8070 6.0306 6.0306 6.1118 6.1118 6.2566 6.2566 6.5996 6.5996 6.6528 6.6528 6.9028 6.9028 7.0183 7.0183 7.1632 7.1632 7.2662 7.2662 7.2707 7.2707 7.5348 7.5348 7.6741 7.6741 7.9918 7.9918 8.0042 8.0042 8.3521 8.3521 8.3737 8.3737 8.5282 8.5282 8.7902 8.7902 8.9226 8.9226 9.1122 9.1122 9.4011 9.4011 9.4823 9.4823 9.5345 9.5345 k = 0.0000 0.9012 0.0361 ( 6512 PWs) bands (ev): 5.8110 5.8110 6.0305 6.0305 6.1113 6.1113 6.2493 6.2493 6.6008 6.6008 6.6607 6.6607 6.9065 6.9065 6.9985 6.9985 7.1631 7.1631 7.2559 7.2559 7.2913 7.2913 7.5409 7.5409 7.6741 7.6741 7.9804 7.9804 8.0049 8.0049 8.3464 8.3464 8.3856 8.3856 8.5324 8.5324 8.7892 8.7892 8.9242 8.9242 9.1075 9.1075 9.3861 9.3861 9.4715 9.4715 9.5359 9.5359 k = 0.0000 0.9012 0.0541 ( 6508 PWs) bands (ev): 5.8177 5.8177 6.0301 6.0301 6.1109 6.1109 6.2380 6.2380 6.6027 6.6027 6.6730 6.6730 6.9124 6.9124 6.9701 6.9701 7.1657 7.1657 7.2391 7.2391 7.3193 7.3193 7.5501 7.5501 7.6741 7.6741 7.9627 7.9627 8.0060 8.0060 8.3375 8.3375 8.4037 8.4037 8.5395 8.5395 8.7876 8.7876 8.9263 8.9263 9.0999 9.0999 9.3658 9.3658 9.4542 9.4542 9.5405 9.5405 k = 0.0000 0.9012 0.0721 ( 6512 PWs) bands (ev): 5.8270 5.8270 6.0290 6.0290 6.1109 6.1109 6.2238 6.2238 6.6046 6.6046 6.6884 6.6884 6.9200 6.9200 6.9372 6.9372 7.1710 7.1710 7.2182 7.2182 7.3503 7.3503 7.5616 7.5616 7.6739 7.6739 7.9399 7.9399 8.0075 8.0075 8.3253 8.3253 8.4268 8.4268 8.5491 8.5491 8.7853 8.7853 8.9282 8.9282 9.0900 9.0900 9.3440 9.3440 9.4320 9.4320 9.5473 9.5473 k = 0.0000 0.9012 0.0902 ( 6506 PWs) bands (ev): 5.8387 5.8387 6.0270 6.0270 6.1121 6.1121 6.2076 6.2076 6.6062 6.6062 6.7054 6.7054 6.9007 6.9007 6.9308 6.9308 7.1767 7.1767 7.1973 7.1973 7.3821 7.3821 7.5745 7.5745 7.6735 7.6735 7.9131 7.9131 8.0094 8.0094 8.3100 8.3100 8.4541 8.4541 8.5611 8.5611 8.7823 8.7823 8.9292 8.9292 9.0780 9.0780 9.3240 9.3240 9.4061 9.4061 9.5548 9.5548 k = 0.0000 0.9012 0.1082 ( 6498 PWs) bands (ev): 5.8527 5.8527 6.0240 6.0240 6.1147 6.1147 6.1905 6.1905 6.6068 6.6068 6.7218 6.7218 6.8661 6.8661 6.9413 6.9413 7.1658 7.1658 7.1951 7.1951 7.4135 7.4135 7.5877 7.5877 7.6731 7.6731 7.8833 7.8833 8.0118 8.0118 8.2916 8.2916 8.4845 8.4845 8.5748 8.5748 8.7788 8.7788 8.9284 8.9284 9.0647 9.0647 9.3078 9.3078 9.3778 9.3778 9.5598 9.5598 k = 0.0000 0.9012 0.1262 ( 6490 PWs) bands (ev): 5.8689 5.8689 6.0199 6.0199 6.1189 6.1189 6.1735 6.1735 6.6058 6.6058 6.7338 6.7338 6.8358 6.8358 6.9516 6.9516 7.1454 7.1454 7.2067 7.2067 7.4438 7.4438 7.5998 7.5998 7.6734 7.6734 7.8512 7.8512 8.0147 8.0147 8.2707 8.2707 8.5174 8.5174 8.5898 8.5898 8.7749 8.7749 8.9251 8.9251 9.0504 9.0504 9.2970 9.2970 9.3478 9.3478 9.5571 9.5572 k = 0.0000 0.9012 0.1443 ( 6492 PWs) bands (ev): 5.8869 5.8869 6.0150 6.0150 6.1240 6.1240 6.1578 6.1578 6.6026 6.6026 6.7328 6.7328 6.8186 6.8186 6.9595 6.9595 7.1294 7.1294 7.2213 7.2213 7.4727 7.4727 7.6090 7.6090 7.6757 7.6757 7.8177 7.8177 8.0178 8.0178 8.2476 8.2476 8.5518 8.5518 8.6057 8.6057 8.7707 8.7707 8.9189 8.9189 9.0358 9.0358 9.2921 9.2921 9.3172 9.3172 9.5444 9.5444 k = 0.0000 0.9012 0.1623 ( 6496 PWs) bands (ev): 5.9062 5.9062 6.0097 6.0097 6.1272 6.1272 6.1469 6.1469 6.5967 6.5967 6.7130 6.7130 6.8200 6.8200 6.9623 6.9623 7.1223 7.1223 7.2375 7.2375 7.5001 7.5001 7.6133 7.6133 7.6811 7.6811 7.7832 7.7832 8.0213 8.0213 8.2231 8.2231 8.5867 8.5867 8.6220 8.6220 8.7664 8.7664 8.9104 8.9104 9.0213 9.0213 9.2851 9.2851 9.2944 9.2944 9.5262 9.5262 k = 0.0000 0.9012 0.1803 ( 6498 PWs) bands (ev): 5.9263 5.9263 6.0042 6.0042 6.1212 6.1212 6.1484 6.1484 6.5875 6.5875 6.6833 6.6833 6.8312 6.8312 6.9591 6.9591 7.1259 7.1259 7.2549 7.2549 7.5257 7.5257 7.6123 7.6123 7.6893 7.6893 7.7490 7.7490 8.0250 8.0250 8.1977 8.1977 8.6195 8.6195 8.6397 8.6397 8.7628 8.7628 8.9001 8.9001 9.0076 9.0076 9.2549 9.2549 9.3000 9.3000 9.5065 9.5065 k = 0.0000 0.9012 0.1984 ( 6496 PWs) bands (ev): 5.9460 5.9460 5.9991 5.9991 6.1125 6.1125 6.1566 6.1566 6.5750 6.5750 6.6510 6.6510 6.8448 6.8448 6.9514 6.9514 7.1394 7.1394 7.2729 7.2729 7.5491 7.5491 7.6073 7.6073 7.6952 7.6952 7.7190 7.7190 8.0287 8.0287 8.1723 8.1723 8.6436 8.6436 8.6630 8.6630 8.7612 8.7612 8.8893 8.8893 8.9950 8.9950 9.2246 9.2246 9.3100 9.3100 9.4873 9.4873 k = 0.0000 0.9012 0.2164 ( 6492 PWs) bands (ev): 5.9638 5.9638 5.9945 5.9945 6.1070 6.1070 6.1662 6.1662 6.5596 6.5596 6.6190 6.6190 6.8581 6.8581 6.9421 6.9421 7.1598 7.1598 7.2909 7.2909 7.5690 7.5690 7.6003 7.6003 7.6763 7.6763 7.7155 7.7155 8.0323 8.0323 8.1477 8.1477 8.6587 8.6587 8.6878 8.6878 8.7647 8.7647 8.8790 8.8790 8.9845 8.9845 9.1948 9.1948 9.3225 9.3225 9.4694 9.4694 k = 0.0000 0.9012 0.2344 ( 6490 PWs) bands (ev): 5.9776 5.9776 5.9908 5.9908 6.1075 6.1075 6.1757 6.1757 6.5421 6.5421 6.5884 6.5884 6.8702 6.8702 6.9333 6.9333 7.1847 7.1847 7.3078 7.3078 7.5778 7.5778 7.5966 7.5966 7.6514 7.6514 7.7222 7.7222 8.0358 8.0358 8.1247 8.1247 8.6703 8.6703 8.7031 8.7031 8.7775 8.7775 8.8700 8.8700 8.9769 8.9769 9.1655 9.1655 9.3362 9.3362 9.4532 9.4532 k = 0.0000 0.9012 0.2525 ( 6482 PWs) bands (ev): 5.9854 5.9854 5.9887 5.9887 6.1150 6.1150 6.1839 6.1839 6.5243 6.5243 6.5603 6.5603 6.8806 6.8806 6.9259 6.9259 7.2122 7.2122 7.3224 7.3224 7.5703 7.5703 7.5906 7.5906 7.6444 7.6444 7.7269 7.7269 8.0391 8.0391 8.1042 8.1042 8.6795 8.6795 8.7080 8.7080 8.7977 8.7977 8.8631 8.8631 8.9735 8.9735 9.1367 9.1367 9.3498 9.3498 9.4387 9.4387 k = 0.0000 0.9012 0.2705 ( 6476 PWs) bands (ev): 5.9856 5.9856 5.9901 5.9901 6.1286 6.1286 6.1893 6.1893 6.5081 6.5081 6.5355 6.5355 6.8893 6.8893 6.9199 6.9199 7.2407 7.2407 7.3328 7.3328 7.5582 7.5582 7.5731 7.5731 7.6562 7.6562 7.7277 7.7277 8.0423 8.0423 8.0869 8.0869 8.6866 8.6866 8.7076 8.7076 8.8180 8.8180 8.8584 8.8584 8.9762 8.9762 9.1083 9.1083 9.3628 9.3628 9.4260 9.4260 k = 0.0000 0.9012 0.2885 ( 6472 PWs) bands (ev): 5.9851 5.9851 5.9900 5.9900 6.1455 6.1455 6.1906 6.1906 6.4959 6.4959 6.5149 6.5149 6.8964 6.8964 6.9151 6.9151 7.2690 7.2690 7.3364 7.3364 7.5461 7.5461 7.5566 7.5566 7.6729 7.6729 7.7241 7.7241 8.0457 8.0457 8.0731 8.0731 8.6919 8.6919 8.7053 8.7053 8.8336 8.8336 8.8553 8.8553 8.9866 8.9866 9.0803 9.0803 9.3745 9.3745 9.4148 9.4148 k = 0.0000 0.9012 0.3066 ( 6476 PWs) bands (ev): 5.9855 5.9855 5.9885 5.9885 6.1626 6.1626 6.1866 6.1866 6.4898 6.4898 6.4997 6.4997 6.9021 6.9021 6.9109 6.9109 7.2951 7.2951 7.3312 7.3312 7.5385 7.5385 7.5447 7.5447 7.6896 7.6896 7.7162 7.7162 8.0497 8.0497 8.0626 8.0626 8.6960 8.6960 8.7024 8.7024 8.8434 8.8434 8.8527 8.8527 9.0042 9.0042 9.0530 9.0530 9.3851 9.3851 9.4046 9.4046 k = 0.0000 0.9012 0.3246 ( 6468 PWs) bands (ev): 5.9867 5.9867 5.9868 5.9868 6.1770 6.1770 6.1770 6.1770 6.4910 6.4910 6.4910 6.4910 6.9067 6.9067 6.9068 6.9068 7.3167 7.3167 7.3168 7.3168 7.5382 7.5382 7.5383 7.5383 7.7044 7.7044 7.7044 7.7044 8.0551 8.0551 8.0551 8.0551 8.6993 8.6993 8.6993 8.6993 8.8492 8.8492 8.8492 8.8492 9.0271 9.0271 9.0271 9.0271 9.3949 9.3949 9.3950 9.3950 k = 0.0000 0.9012 0.3246 ( 6468 PWs) bands (ev): 5.9867 5.9867 5.9868 5.9868 6.1770 6.1770 6.1770 6.1770 6.4910 6.4910 6.4910 6.4910 6.9067 6.9067 6.9068 6.9068 7.3167 7.3167 7.3168 7.3168 7.5382 7.5382 7.5383 7.5383 7.7044 7.7044 7.7044 7.7044 8.0551 8.0551 8.0551 8.0551 8.6993 8.6993 8.6993 8.6993 8.8492 8.8492 8.8492 8.8492 9.0271 9.0271 9.0271 9.0271 9.3949 9.3949 9.3950 9.3950 k = 0.0182 0.9012 0.3246 ( 6476 PWs) bands (ev): 5.9873 5.9873 5.9877 5.9877 6.1767 6.1767 6.1773 6.1773 6.4890 6.4890 6.4904 6.4904 6.9060 6.9060 6.9067 6.9067 7.3162 7.3162 7.3168 7.3168 7.5388 7.5388 7.5395 7.5395 7.7042 7.7042 7.7061 7.7061 8.0566 8.0566 8.0573 8.0573 8.6977 8.6977 8.6994 8.6994 8.8473 8.8473 8.8474 8.8474 9.0230 9.0230 9.0258 9.0258 9.3956 9.3956 9.4027 9.4027 k = 0.0364 0.9012 0.3246 ( 6470 PWs) bands (ev): 5.9893 5.9893 5.9900 5.9900 6.1766 6.1766 6.1777 6.1777 6.4843 6.4843 6.4871 6.4871 6.9045 6.9045 6.9058 6.9058 7.3150 7.3150 7.3161 7.3161 7.5414 7.5414 7.5428 7.5428 7.7055 7.7055 7.7092 7.7092 8.0618 8.0618 8.0632 8.0632 8.6946 8.6946 8.6979 8.6979 8.8417 8.8417 8.8421 8.8421 9.0146 9.0146 9.0195 9.0195 9.4041 9.4041 9.4176 9.4176 k = 0.0546 0.9012 0.3246 ( 6460 PWs) bands (ev): 5.9926 5.9926 5.9937 5.9937 6.1766 6.1766 6.1782 6.1782 6.4771 6.4771 6.4813 6.4813 6.9023 6.9023 6.9043 6.9043 7.3130 7.3130 7.3147 7.3147 7.5458 7.5458 7.5481 7.5481 7.7083 7.7083 7.7136 7.7136 8.0705 8.0705 8.0726 8.0726 8.6902 8.6902 8.6949 8.6949 8.8320 8.8320 8.8328 8.8328 9.0041 9.0041 9.0101 9.0101 9.4186 9.4186 9.4373 9.4373 k = 0.0728 0.9012 0.3246 ( 6468 PWs) bands (ev): 5.9973 5.9973 5.9986 5.9986 6.1768 6.1768 6.1788 6.1788 6.4677 6.4677 6.4732 6.4732 6.8995 6.8995 6.9021 6.9021 7.3102 7.3102 7.3123 7.3123 7.5523 7.5523 7.5556 7.5556 7.7124 7.7124 7.7190 7.7190 8.0823 8.0823 8.0850 8.0850 8.6844 8.6844 8.6904 8.6904 8.8180 8.8180 8.8195 8.8195 8.9936 8.9936 8.9998 8.9998 9.4364 9.4364 9.4588 9.4588 k = 0.0910 0.9012 0.3246 ( 6476 PWs) bands (ev): 6.0031 6.0031 6.0047 6.0047 6.1771 6.1771 6.1795 6.1795 6.4563 6.4563 6.4632 6.4632 6.8965 6.8965 6.8995 6.8995 7.3065 7.3065 7.3089 7.3089 7.5606 7.5606 7.5650 7.5650 7.7178 7.7178 7.7255 7.7255 8.0968 8.0968 8.1000 8.1000 8.6776 8.6776 8.6846 8.6846 8.7998 8.7998 8.8023 8.8023 8.9844 8.9844 8.9904 8.9904 9.4546 9.4546 9.4788 9.4789 k = 0.1092 0.9012 0.3246 ( 6474 PWs) bands (ev): 6.0098 6.0098 6.0117 6.0117 6.1776 6.1776 6.1802 6.1802 6.4434 6.4434 6.4516 6.4516 6.8932 6.8932 6.8967 6.8967 7.3019 7.3019 7.3047 7.3047 7.5705 7.5705 7.5762 7.5762 7.7242 7.7242 7.7328 7.7328 8.1135 8.1135 8.1172 8.1172 8.6699 8.6699 8.6775 8.6775 8.7783 8.7783 8.7817 8.7817 8.9772 8.9772 8.9827 8.9827 9.4705 9.4705 9.4942 9.4942 k = 0.1274 0.9012 0.3246 ( 6478 PWs) bands (ev): 6.0172 6.0172 6.0195 6.0195 6.1782 6.1782 6.1810 6.1810 6.4294 6.4294 6.4390 6.4390 6.8899 6.8899 6.8937 6.8937 7.2968 7.2968 7.2998 7.2998 7.5817 7.5817 7.5887 7.5887 7.7315 7.7315 7.7406 7.7406 8.1317 8.1317 8.1360 8.1360 8.6616 8.6616 8.6694 8.6694 8.7544 8.7544 8.7587 8.7587 8.9718 8.9718 8.9770 8.9770 9.4818 9.4818 9.5024 9.5024 k = 0.1456 0.9012 0.3246 ( 6480 PWs) bands (ev): 6.0250 6.0250 6.0276 6.0276 6.1789 6.1789 6.1816 6.1816 6.4150 6.4150 6.4260 6.4260 6.8865 6.8865 6.8906 6.8906 7.2913 7.2913 7.2946 7.2946 7.5935 7.5935 7.6020 7.6020 7.7393 7.7393 7.7487 7.7487 8.1508 8.1508 8.1556 8.1556 8.6530 8.6530 8.6603 8.6603 8.7294 8.7294 8.7349 8.7349 8.9678 8.9678 8.9729 8.9729 9.4872 9.4872 9.5029 9.5029 k = 0.1638 0.9012 0.3246 ( 6482 PWs) bands (ev): 6.0329 6.0329 6.0357 6.0357 6.1795 6.1795 6.1820 6.1820 6.4010 6.4010 6.4133 6.4133 6.8833 6.8833 6.8876 6.8876 7.2859 7.2859 7.2894 7.2894 7.6054 7.6054 7.6153 7.6153 7.7474 7.7474 7.7569 7.7569 8.1701 8.1701 8.1754 8.1754 8.6442 8.6442 8.6501 8.6501 8.7046 8.7046 8.7116 8.7116 8.9647 8.9647 8.9700 8.9700 9.4867 9.4867 9.4975 9.4975 k = 0.1820 0.9012 0.3246 ( 6484 PWs) bands (ev): 6.0404 6.0404 6.0436 6.0436 6.1797 6.1797 6.1817 6.1817 6.3882 6.3882 6.4018 6.4018 6.8802 6.8802 6.8848 6.8848 7.2809 7.2809 7.2846 7.2846 7.6169 7.6169 7.6283 7.6283 7.7554 7.7554 7.7648 7.7648 8.1887 8.1887 8.1946 8.1946 8.6355 8.6355 8.6384 8.6384 8.6814 8.6814 8.6910 8.6910 8.9618 8.9618 8.9676 8.9676 9.4816 9.4816 9.4882 9.4882 k = 0.2001 0.9012 0.3246 ( 6484 PWs) bands (ev): 6.0471 6.0471 6.0507 6.0507 6.1791 6.1791 6.1805 6.1805 6.3776 6.3776 6.3924 6.3924 6.8772 6.8772 6.8820 6.8820 7.2765 7.2765 7.2804 7.2804 7.6275 7.6275 7.6403 7.6403 7.7628 7.7628 7.7720 7.7720 8.2057 8.2057 8.2123 8.2123 8.6251 8.6251 8.6265 8.6265 8.6615 8.6615 8.6749 8.6749 8.9588 8.9588 8.9651 8.9651 9.4737 9.4737 9.4771 9.4771 k = 0.2183 0.9012 0.3246 ( 6492 PWs) bands (ev): 6.0524 6.0524 6.0566 6.0566 6.1772 6.1772 6.1778 6.1778 6.3705 6.3705 6.3862 6.3862 6.8744 6.8744 6.8795 6.8795 7.2730 7.2730 7.2771 7.2771 7.6369 7.6369 7.6509 7.6509 7.7692 7.7692 7.7781 7.7781 8.2202 8.2202 8.2273 8.2273 8.6112 8.6112 8.6169 8.6169 8.6470 8.6470 8.6640 8.6640 8.9549 8.9549 8.9618 8.9618 9.4646 9.4646 9.4657 9.4657 k = 0.2365 0.9012 0.3246 ( 6498 PWs) bands (ev): 6.0559 6.0559 6.0607 6.0607 6.1737 6.1737 6.1738 6.1738 6.3678 6.3678 6.3839 6.3839 6.8719 6.8719 6.8772 6.8772 7.2706 7.2706 7.2748 7.2748 7.6446 7.6446 7.6598 7.6598 7.7742 7.7742 7.7828 7.7828 8.2312 8.2312 8.2387 8.2387 8.5990 8.5990 8.6078 8.6078 8.6383 8.6383 8.6576 8.6576 8.9497 8.9497 8.9571 8.9571 9.4553 9.4553 9.4558 9.4558 k = 0.2547 0.9012 0.3246 ( 6502 PWs) bands (ev): 6.0567 6.0567 6.0621 6.0621 6.1685 6.1685 6.1690 6.1690 6.3698 6.3698 6.3860 6.3860 6.8697 6.8697 6.8752 6.8752 7.2693 7.2693 7.2734 7.2734 7.6504 7.6504 7.6665 7.6665 7.7773 7.7773 7.7856 7.7856 8.2378 8.2378 8.2454 8.2454 8.5910 8.5910 8.6015 8.6015 8.6343 8.6343 8.6547 8.6547 8.9427 8.9427 8.9506 8.9506 9.4469 9.4469 9.4486 9.4486 k = 0.2729 0.9012 0.3246 ( 6508 PWs) bands (ev): 6.0539 6.0539 6.0600 6.0600 6.1634 6.1634 6.1642 6.1642 6.3765 6.3765 6.3922 6.3922 6.8678 6.8678 6.8737 6.8737 7.2691 7.2691 7.2731 7.2731 7.6541 7.6541 7.6707 7.6707 7.7783 7.7783 7.7865 7.7865 8.2397 8.2397 8.2469 8.2469 8.5888 8.5888 8.6002 8.6002 8.6336 8.6336 8.6549 8.6549 8.9336 8.9336 8.9416 8.9416 9.4412 9.4412 9.4438 9.4438 k = 0.2729 0.9012 0.3246 ( 6508 PWs) bands (ev): 6.0539 6.0539 6.0600 6.0600 6.1634 6.1634 6.1642 6.1642 6.3765 6.3765 6.3922 6.3922 6.8678 6.8678 6.8737 6.8737 7.2691 7.2691 7.2731 7.2731 7.6541 7.6541 7.6707 7.6707 7.7783 7.7783 7.7865 7.7865 8.2397 8.2397 8.2469 8.2469 8.5888 8.5888 8.6002 8.6002 8.6336 8.6336 8.6549 8.6549 8.9336 8.9336 8.9416 8.9416 9.4412 9.4412 9.4438 9.4438 k = 0.2677 0.8839 0.3246 ( 6504 PWs) bands (ev): 6.0697 6.0697 6.0735 6.0735 6.1762 6.1762 6.1763 6.1763 6.3498 6.3498 6.3677 6.3677 6.8731 6.8731 6.8781 6.8781 7.2681 7.2681 7.2727 7.2727 7.6455 7.6455 7.6608 7.6608 7.7781 7.7781 7.7862 7.7862 8.2389 8.2389 8.2483 8.2483 8.5855 8.5855 8.5952 8.5952 8.6305 8.6305 8.6493 8.6493 8.9695 8.9695 8.9773 8.9773 9.4530 9.4530 9.4542 9.4542 k = 0.2624 0.8666 0.3246 ( 6496 PWs) bands (ev): 6.0838 6.0838 6.0844 6.0844 6.1774 6.1774 6.1798 6.1798 6.3348 6.3348 6.3541 6.3541 6.8780 6.8780 6.8821 6.8821 7.2673 7.2673 7.2725 7.2725 7.6368 7.6368 7.6507 7.6507 7.7776 7.7776 7.7850 7.7850 8.2335 8.2335 8.2445 8.2445 8.5825 8.5825 8.5910 8.5910 8.6255 8.6255 8.6423 8.6423 9.0070 9.0070 9.0145 9.0145 9.4583 9.4583 9.4645 9.4645 k = 0.2572 0.8492 0.3246 ( 6492 PWs) bands (ev): 6.0907 6.0907 6.0950 6.0950 6.1639 6.1639 6.1719 6.1719 6.3363 6.3363 6.3554 6.3554 6.8824 6.8824 6.8858 6.8858 7.2670 7.2670 7.2729 7.2729 7.6283 7.6283 7.6408 7.6408 7.7768 7.7768 7.7832 7.7832 8.2234 8.2234 8.2356 8.2356 8.5798 8.5798 8.5873 8.5873 8.6185 8.6185 8.6333 8.6333 9.0465 9.0465 9.0536 9.0536 9.4612 9.4612 9.4723 9.4723 k = 0.2519 0.8319 0.3246 ( 6488 PWs) bands (ev): 6.0857 6.0857 6.0959 6.0959 6.1458 6.1458 6.1611 6.1611 6.3517 6.3517 6.3699 6.3699 6.8866 6.8866 6.8893 6.8893 7.2672 7.2672 7.2739 7.2739 7.6201 7.6201 7.6312 7.6312 7.7758 7.7758 7.7807 7.7807 8.2093 8.2093 8.2220 8.2220 8.5771 8.5771 8.5829 8.5829 8.6102 8.6102 8.6222 8.6222 9.0878 9.0878 9.0944 9.0944 9.4630 9.4630 9.4779 9.4779 k = 0.2467 0.8146 0.3246 ( 6500 PWs) bands (ev): 6.0616 6.0616 6.0703 6.0703 6.1451 6.1451 6.1599 6.1599 6.3752 6.3752 6.3928 6.3928 6.8905 6.8905 6.8927 6.8927 7.2682 7.2682 7.2758 7.2758 7.6124 7.6124 7.6220 7.6220 7.7745 7.7745 7.7775 7.7775 8.1916 8.1916 8.2043 8.2043 8.5738 8.5738 8.5764 8.5764 8.6018 8.6018 8.6091 8.6091 9.1308 9.1308 9.1367 9.1367 9.4644 9.4644 9.4820 9.4820 k = 0.2414 0.7972 0.3246 ( 6498 PWs) bands (ev): 6.0225 6.0225 6.0276 6.0276 6.1562 6.1562 6.1678 6.1678 6.4033 6.4033 6.4206 6.4206 6.8943 6.8943 6.8961 6.8961 7.2701 7.2701 7.2786 7.2786 7.6052 7.6052 7.6134 7.6134 7.7726 7.7726 7.7734 7.7734 8.1712 8.1712 8.1834 8.1834 8.5660 8.5660 8.5694 8.5694 8.5950 8.5950 8.5952 8.5952 9.1745 9.1745 9.1793 9.1793 9.4664 9.4664 9.4850 9.4850 k = 0.2362 0.7799 0.3246 ( 6496 PWs) bands (ev): 5.9752 5.9752 5.9778 5.9778 6.1706 6.1706 6.1800 6.1800 6.4342 6.4342 6.4515 6.4515 6.8978 6.8978 6.8993 6.8993 7.2732 7.2732 7.2825 7.2825 7.5988 7.5988 7.6054 7.6054 7.7680 7.7680 7.7699 7.7699 8.1485 8.1485 8.1597 8.1597 8.5521 8.5521 8.5617 8.5617 8.5827 8.5827 8.5907 8.5907 9.2178 9.2178 9.2206 9.2206 9.4703 9.4703 9.4879 9.4879 k = 0.2309 0.7626 0.3246 ( 6492 PWs) bands (ev): 5.9226 5.9226 5.9238 5.9238 6.1865 6.1865 6.1944 6.1944 6.4670 6.4670 6.4844 6.4844 6.9012 6.9012 6.9024 6.9024 7.2774 7.2774 7.2876 7.2876 7.5931 7.5931 7.5982 7.5982 7.7612 7.7612 7.7660 7.7660 8.1241 8.1241 8.1338 8.1338 8.5362 8.5362 8.5484 8.5484 8.5753 8.5753 8.5874 8.5874 9.2580 9.2580 9.2584 9.2584 9.4780 9.4780 9.4926 9.4926 k = 0.2257 0.7452 0.3246 ( 6488 PWs) bands (ev): 5.8662 5.8662 5.8665 5.8665 6.2036 6.2036 6.2102 6.2102 6.5013 6.5013 6.5190 6.5190 6.9043 6.9043 6.9053 6.9053 7.2829 7.2829 7.2938 7.2938 7.5883 7.5883 7.5919 7.5919 7.7524 7.7524 7.7605 7.7605 8.0982 8.0982 8.1060 8.1060 8.5199 8.5199 8.5320 8.5320 8.5713 8.5713 8.5850 8.5850 9.2877 9.2877 9.2929 9.2929 9.4927 9.4927 9.5019 9.5019 k = 0.2204 0.7279 0.3246 ( 6496 PWs) bands (ev): 5.8063 5.8063 5.8066 5.8066 6.2215 6.2215 6.2272 6.2272 6.5367 6.5367 6.5548 6.5548 6.9072 6.9072 6.9080 6.9080 7.2896 7.2896 7.3013 7.3013 7.5844 7.5844 7.5865 7.5865 7.7414 7.7414 7.7531 7.7531 8.0712 8.0712 8.0766 8.0766 8.5044 8.5044 8.5156 8.5156 8.5690 8.5690 8.5831 8.5831 9.3066 9.3066 9.3175 9.3175 9.5167 9.5168 9.5192 9.5192 k = 0.2152 0.7106 0.3246 ( 6484 PWs) bands (ev): 5.7436 5.7436 5.7442 5.7442 6.2404 6.2404 6.2453 6.2453 6.5732 6.5732 6.5917 6.5917 6.9097 6.9097 6.9105 6.9105 7.2974 7.2974 7.3098 7.3098 7.5813 7.5813 7.5819 7.5819 7.7281 7.7281 7.7436 7.7436 8.0431 8.0431 8.0459 8.0459 8.4909 8.4909 8.5008 8.5008 8.5675 8.5675 8.5819 8.5819 9.3142 9.3142 9.3299 9.3299 9.5463 9.5463 9.5501 9.5501 k = 0.2099 0.6932 0.3246 ( 6484 PWs) bands (ev): 5.6785 5.6785 5.6793 5.6793 6.2601 6.2601 6.2642 6.2642 6.6106 6.6106 6.6295 6.6295 6.9117 6.9117 6.9126 6.9126 7.3062 7.3062 7.3193 7.3193 7.5779 7.5779 7.5790 7.5790 7.7126 7.7126 7.7317 7.7317 8.0140 8.0140 8.0141 8.0141 8.4803 8.4803 8.4886 8.4886 8.5669 8.5669 8.5811 8.5811 9.3125 9.3125 9.3310 9.3310 9.5816 9.5816 9.5899 9.5899 k = 0.2047 0.6759 0.3246 ( 6474 PWs) bands (ev): 5.6113 5.6113 5.6121 5.6121 6.2806 6.2806 6.2841 6.2841 6.6488 6.6488 6.6681 6.6681 6.9132 6.9132 6.9142 6.9142 7.3158 7.3158 7.3296 7.3296 7.5740 7.5740 7.5771 7.5771 7.6955 7.6955 7.7177 7.7177 7.9816 7.9816 7.9840 7.9840 8.4734 8.4734 8.4799 8.4799 8.5669 8.5669 8.5807 8.5807 9.3041 9.3041 9.3236 9.3236 9.6212 9.6212 9.6330 9.6330 k = 0.1994 0.6586 0.3246 ( 6474 PWs) bands (ev): 5.5422 5.5422 5.5430 5.5430 6.3019 6.3019 6.3047 6.3047 6.6875 6.6875 6.7073 6.7073 6.9140 6.9140 6.9151 6.9151 7.3261 7.3261 7.3403 7.3403 7.5689 7.5689 7.5747 7.5747 7.6783 7.6783 7.7024 7.7024 7.9489 7.9489 7.9536 7.9536 8.4706 8.4706 8.4751 8.4751 8.5674 8.5674 8.5806 8.5806 9.2907 9.2907 9.3103 9.3103 9.6613 9.6613 9.6763 9.6763 k = 0.1942 0.6412 0.3246 ( 6474 PWs) bands (ev): 5.4714 5.4714 5.4721 5.4721 6.3240 6.3240 6.3261 6.3261 6.7265 6.7265 6.7469 6.7469 6.9138 6.9138 6.9151 6.9151 7.3367 7.3367 7.3514 7.3514 7.5601 7.5601 7.5701 7.5701 7.6637 7.6637 7.6875 7.6875 7.9165 7.9165 7.9229 7.9229 8.4721 8.4721 8.4740 8.4740 8.5685 8.5685 8.5805 8.5805 9.2735 9.2735 9.2924 9.2924 9.6982 9.6982 9.7169 9.7169 k = 0.1890 0.6239 0.3246 ( 6458 PWs) bands (ev): 5.3991 5.3991 5.3997 5.3997 6.3468 6.3468 6.3483 6.3483 6.7657 6.7657 6.7867 6.7867 6.9125 6.9125 6.9141 6.9141 7.3476 7.3476 7.3625 7.3625 7.5446 7.5446 7.5605 7.5605 7.6550 7.6550 7.6761 7.6761 7.8851 7.8851 7.8929 7.8929 8.4764 8.4764 8.4775 8.4775 8.5700 8.5700 8.5803 8.5803 9.2533 9.2533 9.2711 9.2711 9.7271 9.7271 9.7502 9.7502 k = 0.1837 0.6066 0.3246 ( 6466 PWs) bands (ev): 5.3256 5.3256 5.3261 5.3261 6.3702 6.3702 6.3711 6.3711 6.8043 6.8043 6.8261 6.8261 6.9101 6.9101 6.9118 6.9118 7.3584 7.3584 7.3734 7.3734 7.5209 7.5209 7.5429 7.5429 7.6540 7.6540 7.6712 7.6712 7.8555 7.8555 7.8640 7.8640 8.4813 8.4813 8.4865 8.4865 8.5723 8.5723 8.5797 8.5797 9.2307 9.2307 9.2470 9.2470 9.7434 9.7434 9.7702 9.7702 k = 0.1785 0.5893 0.3246 ( 6470 PWs) bands (ev): 5.2510 5.2510 5.2514 5.2514 6.3942 6.3942 6.3945 6.3945 6.8412 6.8412 6.8638 6.8638 6.9073 6.9073 6.9092 6.9092 7.3689 7.3689 7.3839 7.3839 7.4903 7.4903 7.5168 7.5168 7.6597 7.6597 7.6737 7.6737 7.8287 7.8287 7.8374 7.8374 8.4870 8.4870 8.4979 8.4979 8.5759 8.5759 8.5788 8.5788 9.2065 9.2065 9.2209 9.2209 9.7479 9.7479 9.7751 9.7751 k = 0.1732 0.5719 0.3246 ( 6466 PWs) bands (ev): 5.1757 5.1757 5.1759 5.1759 6.4184 6.4184 6.4187 6.4187 6.8700 6.8700 6.8886 6.8886 6.9096 6.9096 6.9166 6.9166 7.3789 7.3789 7.3935 7.3935 7.4552 7.4552 7.4838 7.4838 7.6699 7.6699 7.6823 7.6823 7.8055 7.8055 7.8143 7.8143 8.4909 8.4909 8.5098 8.5098 8.5784 8.5784 8.5824 8.5824 9.1816 9.1816 9.1940 9.1940 9.7451 9.7451 9.7707 9.7707 k = 0.1680 0.5546 0.3246 ( 6478 PWs) bands (ev): 5.0997 5.0997 5.0998 5.0998 6.4427 6.4427 6.4437 6.4437 6.8750 6.8750 6.8854 6.8854 6.9320 6.9320 6.9483 6.9483 7.3874 7.3874 7.3976 7.3976 7.4216 7.4216 7.4469 7.4469 7.6824 7.6824 7.6947 7.6947 7.7872 7.7872 7.7963 7.7963 8.4902 8.4902 8.5177 8.5177 8.5815 8.5815 8.5933 8.5933 9.1572 9.1572 9.1674 9.1674 9.7393 9.7393 9.7626 9.7626 k = 0.1627 0.5373 0.3246 ( 6474 PWs) bands (ev): 5.0234 5.0234 5.0236 5.0236 6.4673 6.4673 6.4690 6.4690 6.8653 6.8653 6.8742 6.8742 6.9645 6.9645 6.9836 6.9836 7.3687 7.3687 7.3868 7.3868 7.4153 7.4153 7.4184 7.4184 7.6941 7.6941 7.7075 7.7075 7.7764 7.7764 7.7866 7.7866 8.4829 8.4829 8.5159 8.5159 8.5925 8.5925 8.6094 8.6094 9.1347 9.1347 9.1426 9.1426 9.7328 9.7328 9.7536 9.7536 k = 0.1575 0.5199 0.3246 ( 6478 PWs) bands (ev): 4.9470 4.9470 4.9473 4.9473 6.4921 6.4921 6.4944 6.4944 6.8500 6.8500 6.8590 6.8590 6.9970 6.9970 7.0173 7.0173 7.3270 7.3270 7.3538 7.3538 7.4139 7.4139 7.4265 7.4265 7.7007 7.7007 7.7157 7.7157 7.7782 7.7782 7.7889 7.7889 8.4681 8.4681 8.5032 8.5032 8.6115 8.6115 8.6302 8.6302 9.1154 9.1154 9.1210 9.1210 9.7266 9.7266 9.7448 9.7448 k = 0.1522 0.5026 0.3246 ( 6466 PWs) bands (ev): 4.8707 4.8707 4.8711 4.8711 6.5169 6.5169 6.5199 6.5199 6.8307 6.8307 6.8404 6.8404 7.0265 7.0265 7.0478 7.0478 7.2846 7.2846 7.3113 7.3113 7.4213 7.4213 7.4355 7.4355 7.7014 7.7014 7.7167 7.7167 7.7943 7.7943 7.8043 7.8043 8.4462 8.4462 8.4814 8.4814 8.6355 8.6355 8.6547 8.6547 9.1003 9.1003 9.1039 9.1039 9.7212 9.7212 9.7364 9.7364 k = 0.1470 0.4853 0.3246 ( 6472 PWs) bands (ev): 4.7948 4.7948 4.7954 4.7954 6.5415 6.5415 6.5453 6.5453 6.8078 6.8078 6.8183 6.8183 7.0505 7.0505 7.0728 7.0728 7.2443 7.2443 7.2695 7.2695 7.4294 7.4294 7.4446 7.4446 7.6996 7.6996 7.7152 7.7152 7.8201 7.8201 7.8291 7.8291 8.4177 8.4177 8.4524 8.4524 8.6624 8.6624 8.6817 8.6817 9.0905 9.0905 9.0923 9.0923 9.7164 9.7164 9.7283 9.7283 k = 0.1417 0.4679 0.3246 ( 6484 PWs) bands (ev): 4.7196 4.7196 4.7202 4.7202 6.5655 6.5655 6.5702 6.5702 6.7816 6.7816 6.7931 6.7931 7.0641 7.0641 7.0878 7.0878 7.2112 7.2112 7.2341 7.2341 7.4377 7.4377 7.4537 7.4537 7.6983 7.6983 7.7145 7.7145 7.8514 7.8514 7.8597 7.8597 8.3837 8.3837 8.4174 8.4174 8.6910 8.6910 8.7106 8.7106 9.0862 9.0862 9.0867 9.0867 9.7119 9.7119 9.7201 9.7201 k = 0.1365 0.4506 0.3246 ( 6480 PWs) bands (ev): 4.6451 4.6451 4.6458 4.6458 6.5886 6.5886 6.5943 6.5943 6.7526 6.7526 6.7653 6.7653 7.0591 7.0591 7.0843 7.0843 7.1933 7.1933 7.2137 7.2137 7.4460 7.4460 7.4630 7.4630 7.6988 7.6988 7.7158 7.7158 7.8866 7.8866 7.8943 7.8943 8.3455 8.3455 8.3777 8.3777 8.7208 8.7208 8.7408 8.7408 9.0869 9.0869 9.0875 9.0875 9.7072 9.7072 9.7109 9.7109 k = 0.1312 0.4333 0.3246 ( 6480 PWs) bands (ev): 4.5717 4.5717 4.5725 4.5725 6.6096 6.6096 6.6164 6.6164 6.7220 6.7220 6.7359 6.7359 7.0335 7.0335 7.0586 7.0586 7.1929 7.1929 7.2122 7.2122 7.4544 7.4544 7.4724 7.4724 7.7015 7.7015 7.7191 7.7191 7.9245 7.9245 7.9314 7.9314 8.3048 8.3048 8.3353 8.3353 8.7513 8.7513 8.7717 8.7717 9.0925 9.0925 9.0941 9.0941 9.7001 9.7001 9.7016 9.7016 k = 0.1260 0.4159 0.3246 ( 6480 PWs) bands (ev): 4.4995 4.4995 4.5004 4.5004 6.6256 6.6256 6.6329 6.6329 6.6936 6.6936 6.7082 6.7082 6.9957 6.9957 7.0197 7.0197 7.2015 7.2015 7.2207 7.2207 7.4630 7.4630 7.4821 7.4821 7.7062 7.7062 7.7239 7.7239 7.9639 7.9639 7.9698 7.9698 8.2637 8.2637 8.2924 8.2924 8.7820 8.7820 8.8028 8.8028 9.1031 9.1031 9.1055 9.1055 9.6872 9.6872 9.6943 9.6943 k = 0.1207 0.3986 0.3246 ( 6496 PWs) bands (ev): 4.4288 4.4288 4.4297 4.4297 6.6262 6.6262 6.6274 6.6274 6.6837 6.6837 6.6925 6.6925 6.9530 6.9530 6.9754 6.9754 7.2123 7.2123 7.2316 7.2316 7.4720 7.4720 7.4920 7.4920 7.7124 7.7124 7.7296 7.7296 8.0027 8.0027 8.0071 8.0071 8.2255 8.2255 8.2521 8.2521 8.8129 8.8129 8.8339 8.8339 9.1179 9.1179 9.1212 9.1212 9.6721 9.6721 9.6849 9.6849 k = 0.1155 0.3813 0.3246 ( 6496 PWs) bands (ev): 4.3596 4.3596 4.3606 4.3606 6.5971 6.5971 6.6030 6.6030 6.6953 6.6953 6.6971 6.6971 6.9085 6.9085 6.9290 6.9290 7.2224 7.2224 7.2418 7.2418 7.4814 7.4814 7.5023 7.5023 7.7195 7.7195 7.7355 7.7355 8.0357 8.0357 8.0383 8.0383 8.1963 8.1963 8.2205 8.2205 8.8436 8.8436 8.8647 8.8647 9.1363 9.1363 9.1404 9.1404 9.6551 9.6551 9.6732 9.6732 k = 0.1102 0.3640 0.3246 ( 6484 PWs) bands (ev): 4.2923 4.2923 4.2932 4.2932 6.5598 6.5598 6.5686 6.5686 6.7098 6.7098 6.7099 6.7099 6.8642 6.8642 6.8822 6.8822 7.2308 7.2308 7.2503 7.2503 7.4913 7.4913 7.5129 7.5129 7.7269 7.7269 7.7409 7.7409 8.0514 8.0514 8.0531 8.0531 8.1885 8.1885 8.2088 8.2088 8.8742 8.8742 8.8951 8.8951 9.1576 9.1576 9.1626 9.1626 9.6373 9.6373 9.6597 9.6597 k = 0.1050 0.3466 0.3246 ( 6488 PWs) bands (ev): 4.2269 4.2269 4.2279 4.2279 6.5204 6.5204 6.5304 6.5304 6.7213 6.7213 6.7226 6.7226 6.8222 6.8222 6.8359 6.8359 7.2375 7.2375 7.2568 7.2568 7.5018 7.5018 7.5239 7.5239 7.7337 7.7337 7.7447 7.7447 8.0431 8.0431 8.0443 8.0443 8.2095 8.2095 8.2247 8.2247 8.9046 8.9046 8.9252 8.9252 9.1810 9.1810 9.1868 9.1868 9.6198 9.6198 9.6452 9.6452 k = 0.0997 0.3293 0.3246 ( 6476 PWs) bands (ev): 4.1636 4.1636 4.1646 4.1646 6.4803 6.4803 6.4910 6.4910 6.7224 6.7224 6.7314 6.7314 6.7885 6.7885 6.7922 6.7922 7.2427 7.2427 7.2617 7.2617 7.5127 7.5127 7.5352 7.5352 7.7392 7.7392 7.7464 7.7464 8.0219 8.0219 8.0233 8.0233 8.2474 8.2474 8.2587 8.2587 8.9351 8.9351 8.9552 8.9552 9.2058 9.2058 9.2119 9.2119 9.6042 9.6042 9.6309 9.6309 k = 0.0945 0.3120 0.3246 ( 6476 PWs) bands (ev): 4.1026 4.1026 4.1037 4.1037 6.4402 6.4402 6.4511 6.4511 6.7013 6.7013 6.7238 6.7238 6.7628 6.7628 6.7744 6.7744 7.2468 7.2468 7.2652 7.2652 7.5242 7.5242 7.5466 7.5466 7.7428 7.7428 7.7454 7.7454 7.9969 7.9969 8.0029 8.0029 8.2913 8.2913 8.3001 8.3001 8.9658 8.9658 8.9854 8.9854 9.2308 9.2308 9.2366 9.2366 9.5921 9.5921 9.6182 9.6182 k = 0.0892 0.2946 0.3246 ( 6464 PWs) bands (ev): 4.0441 4.0441 4.0451 4.0451 6.4005 6.4005 6.4114 6.4114 6.6649 6.6649 6.6880 6.6880 6.7592 6.7592 6.7731 6.7731 7.2503 7.2503 7.2679 7.2679 7.5359 7.5359 7.5582 7.5582 7.7414 7.7414 7.7441 7.7441 7.9745 7.9745 7.9860 7.9860 8.3366 8.3366 8.3436 8.3436 8.9971 8.9971 9.0161 9.0161 9.2551 9.2551 9.2594 9.2594 9.5849 9.5849 9.6087 9.6087 k = 0.0840 0.2773 0.3246 ( 6444 PWs) bands (ev): 3.9881 3.9881 3.9891 3.9891 6.3616 6.3616 6.3724 6.3724 6.6247 6.6247 6.6458 6.6458 6.7594 6.7594 6.7729 6.7729 7.2538 7.2538 7.2704 7.2704 7.5479 7.5479 7.5697 7.5697 7.7351 7.7351 7.7429 7.7429 7.9565 7.9565 7.9737 7.9737 8.3812 8.3812 8.3868 8.3868 9.0292 9.0292 9.0479 9.0479 9.2775 9.2775 9.2789 9.2789 9.5843 9.5843 9.6037 9.6037 k = 0.0787 0.2600 0.3246 ( 6452 PWs) bands (ev): 3.9349 3.9349 3.9359 3.9359 6.3238 6.3238 6.3344 6.3344 6.5842 6.5842 6.6035 6.6035 6.7572 6.7572 6.7701 6.7701 7.2575 7.2575 7.2730 7.2730 7.5599 7.5599 7.5809 7.5809 7.7273 7.7273 7.7396 7.7396 7.9433 7.9433 7.9655 7.9655 8.4239 8.4239 8.4283 8.4283 9.0623 9.0623 9.0809 9.0809 9.2941 9.2941 9.2970 9.2970 9.5910 9.5910 9.6042 9.6042 k = 0.0735 0.2426 0.3246 ( 6460 PWs) bands (ev): 3.8845 3.8845 3.8854 3.8854 6.2874 6.2874 6.2977 6.2977 6.5446 6.5446 6.5624 6.5624 6.7518 6.7518 6.7642 6.7642 7.2618 7.2618 7.2759 7.2759 7.5719 7.5719 7.5917 7.5917 7.7193 7.7193 7.7353 7.7353 7.9342 7.9342 7.9604 7.9604 8.4636 8.4636 8.4671 8.4671 9.0964 9.0964 9.1152 9.1152 9.3047 9.3047 9.3132 9.3132 9.6051 9.6051 9.6110 9.6110 k = 0.0682 0.2253 0.3246 ( 6462 PWs) bands (ev): 3.8370 3.8370 3.8379 3.8379 6.2526 6.2526 6.2625 6.2625 6.5065 6.5065 6.5229 6.5229 6.7433 6.7433 6.7551 6.7551 7.2667 7.2667 7.2793 7.2793 7.5836 7.5836 7.6019 7.6019 7.7122 7.7122 7.7312 7.7312 7.9282 7.9282 7.9572 7.9572 8.4997 8.4997 8.5025 8.5025 9.1310 9.1310 9.1504 9.1504 9.3120 9.3120 9.3263 9.3263 9.6240 9.6240 9.6256 9.6256 k = 0.0630 0.2080 0.3246 ( 6466 PWs) bands (ev): 3.7926 3.7926 3.7935 3.7935 6.2197 6.2197 6.2290 6.2290 6.4702 6.4702 6.4852 6.4852 6.7321 6.7321 6.7432 6.7432 7.2719 7.2719 7.2830 7.2830 7.5950 7.5950 7.6114 7.6114 7.7068 7.7068 7.7283 7.7283 7.9240 7.9240 7.9550 7.9550 8.5320 8.5320 8.5342 8.5342 9.1650 9.1650 9.1851 9.1851 9.3185 9.3185 9.3381 9.3381 9.6422 9.6422 9.6509 9.6509 k = 0.0577 0.1906 0.3246 ( 6462 PWs) bands (ev): 3.7514 3.7514 3.7522 3.7522 6.1888 6.1888 6.1975 6.1975 6.4359 6.4359 6.4496 6.4496 6.7188 6.7188 6.7292 6.7292 7.2773 7.2773 7.2869 7.2869 7.6059 7.6059 7.6200 7.6200 7.7038 7.7038 7.7275 7.7275 7.9207 7.9207 7.9531 7.9531 8.5601 8.5601 8.5619 8.5619 9.1962 9.1962 9.2163 9.2163 9.3281 9.3281 9.3512 9.3512 9.6644 9.6644 9.6791 9.6791 k = 0.0525 0.1733 0.3246 ( 6458 PWs) bands (ev): 3.7135 3.7135 3.7142 3.7142 6.1601 6.1601 6.1682 6.1682 6.4039 6.4039 6.4163 6.4163 6.7042 6.7042 6.7138 6.7138 7.2824 7.2824 7.2907 7.2907 7.6163 7.6163 7.6279 7.6279 7.7034 7.7034 7.7290 7.7290 7.9177 7.9177 7.9508 7.9508 8.5843 8.5843 8.5857 8.5857 9.2217 9.2217 9.2393 9.2393 9.3461 9.3461 9.3690 9.3690 9.6891 9.6891 9.7087 9.7087 k = 0.0472 0.1560 0.3246 ( 6454 PWs) bands (ev): 3.6789 3.6789 3.6795 3.6795 6.1337 6.1337 6.1412 6.1412 6.3744 6.3744 6.3855 6.3855 6.6889 6.6889 6.6977 6.6977 7.2872 7.2872 7.2941 7.2941 7.6259 7.6259 7.6351 7.6351 7.7056 7.7056 7.7329 7.7329 7.9144 7.9144 7.9478 7.9478 8.6046 8.6046 8.6058 8.6058 9.2394 9.2394 9.2515 9.2515 9.3750 9.3750 9.3939 9.3939 9.7150 9.7150 9.7383 9.7383 k = 0.0420 0.1386 0.3246 ( 6448 PWs) bands (ev): 3.6477 3.6477 3.6483 3.6483 6.1098 6.1098 6.1166 6.1166 6.3475 6.3475 6.3574 6.3574 6.6737 6.6737 6.6816 6.6816 7.2912 7.2912 7.2969 7.2969 7.6349 7.6349 7.6418 7.6418 7.7104 7.7104 7.7389 7.7389 7.9106 7.9106 7.9439 7.9439 8.6215 8.6215 8.6225 8.6225 9.2495 9.2495 9.2561 9.2561 9.4113 9.4113 9.4253 9.4253 9.7410 9.7410 9.7668 9.7668 k = 0.0367 0.1213 0.3246 ( 6448 PWs) bands (ev): 3.6200 3.6200 3.6206 3.6206 6.0885 6.0885 6.0945 6.0945 6.3235 6.3235 6.3321 6.3321 6.6590 6.6590 6.6660 6.6660 7.2946 7.2946 7.2992 7.2992 7.6432 7.6432 7.6482 7.6482 7.7172 7.7172 7.7463 7.7463 7.9061 7.9061 7.9389 7.9389 8.6353 8.6353 8.6362 8.6362 9.2543 9.2543 9.2568 9.2568 9.4504 9.4504 9.4604 9.4604 9.7663 9.7663 9.7933 9.7933 k = 0.0315 0.1040 0.3246 ( 6444 PWs) bands (ev): 3.5959 3.5959 3.5964 3.5964 6.0699 6.0699 6.0751 6.0751 6.3025 6.3025 6.3099 6.3099 6.6455 6.6455 6.6515 6.6515 7.2972 7.2972 7.3009 7.3009 7.6507 7.6507 7.6542 7.6542 7.7257 7.7257 7.7548 7.7548 7.9011 7.9011 7.9329 7.9329 8.6464 8.6464 8.6472 8.6472 9.2558 9.2558 9.2560 9.2560 9.4892 9.4892 9.4963 9.4963 9.7902 9.7902 9.8171 9.8171 k = 0.0262 0.0867 0.3246 ( 6448 PWs) bands (ev): 3.5755 3.5755 3.5759 3.5759 6.0541 6.0541 6.0585 6.0585 6.2846 6.2846 6.2907 6.2907 6.6334 6.6334 6.6385 6.6385 7.2991 7.2991 7.3020 7.3020 7.6574 7.6574 7.6597 7.6597 7.7354 7.7354 7.7635 7.7635 7.8957 7.8957 7.9258 7.9258 8.6552 8.6552 8.6558 8.6558 9.2545 9.2545 9.2558 9.2558 9.5255 9.5255 9.5306 9.5306 9.8120 9.8120 9.8375 9.8375 k = 0.0210 0.0693 0.3246 ( 6452 PWs) bands (ev): 3.5586 3.5586 3.5590 3.5590 6.0411 6.0411 6.0447 6.0447 6.2699 6.2699 6.2747 6.2747 6.6232 6.6232 6.6273 6.6273 7.3005 7.3005 7.3026 7.3026 7.6632 7.6632 7.6647 7.6647 7.7457 7.7457 7.7719 7.7719 7.8904 7.8904 7.9180 7.9180 8.6619 8.6619 8.6625 8.6625 9.2531 9.2531 9.2549 9.2549 9.5578 9.5578 9.5613 9.5613 9.8313 9.8313 9.8540 9.8540 k = 0.0157 0.0520 0.3246 ( 6460 PWs) bands (ev): 3.5455 3.5455 3.5458 3.5458 6.0311 6.0311 6.0338 6.0338 6.2585 6.2585 6.2621 6.2621 6.6151 6.6151 6.6182 6.6182 7.3014 7.3014 7.3030 7.3030 7.6678 7.6678 7.6687 7.6687 7.7563 7.7563 7.7789 7.7789 7.8861 7.8861 7.9096 7.9096 8.6669 8.6669 8.6673 8.6673 9.2519 9.2519 9.2536 9.2536 9.5845 9.5845 9.5869 9.5869 9.8477 9.8477 9.8662 9.8662 k = 0.0105 0.0347 0.3246 ( 6472 PWs) bands (ev): 3.5362 3.5362 3.5364 3.5364 6.0240 6.0240 6.0258 6.0258 6.2504 6.2504 6.2529 6.2529 6.6094 6.6094 6.6114 6.6114 7.3020 7.3020 7.3030 7.3030 7.6712 7.6712 7.6717 7.6717 7.7663 7.7663 7.7833 7.7833 7.8836 7.8836 7.9013 7.9013 8.6703 8.6703 8.6706 8.6706 9.2511 9.2511 9.2525 9.2525 9.6046 9.6046 9.6061 9.6061 9.8609 9.8609 9.8739 9.8739 k = 0.0052 0.0173 0.3246 ( 6462 PWs) bands (ev): 3.5305 3.5305 3.5307 3.5307 6.0199 6.0199 6.0208 6.0208 6.2458 6.2458 6.2471 6.2471 6.6061 6.6061 6.6071 6.6071 7.3025 7.3025 7.3030 7.3030 7.6734 7.6734 7.6736 7.6736 7.7749 7.7749 7.7842 7.7842 7.8840 7.8840 7.8936 7.8936 8.6723 8.6723 8.6725 8.6725 9.2508 9.2508 9.2515 9.2515 9.6172 9.6172 9.6179 9.6179 9.8704 9.8704 9.8771 9.8771 k = 0.0000 0.0000 0.3246 ( 6470 PWs) bands (ev): 3.5287 3.5287 3.5288 3.5288 6.0189 6.0189 6.0189 6.0189 6.2447 6.2447 6.2447 6.2447 6.6053 6.6053 6.6053 6.6053 7.3027 7.3027 7.3029 7.3029 7.6742 7.6742 7.6742 7.6742 7.7812 7.7812 7.7813 7.7813 7.8875 7.8875 7.8875 7.8875 8.6730 8.6730 8.6731 8.6731 9.2509 9.2509 9.2510 9.2510 9.6217 9.6217 9.6217 9.6217 9.8758 9.8758 9.8759 9.8759 k = 0.0000 0.0000 0.3246 ( 6470 PWs) bands (ev): 3.5287 3.5287 3.5288 3.5288 6.0189 6.0189 6.0189 6.0189 6.2447 6.2447 6.2447 6.2447 6.6053 6.6053 6.6053 6.6053 7.3027 7.3027 7.3029 7.3029 7.6742 7.6742 7.6742 7.6742 7.7812 7.7812 7.7813 7.7813 7.8875 7.8875 7.8875 7.8875 8.6730 8.6730 8.6731 8.6731 9.2509 9.2509 9.2510 9.2510 9.6217 9.6217 9.6217 9.6217 9.8758 9.8758 9.8759 9.8759 k = 0.0000 0.0000 0.3066 ( 6464 PWs) bands (ev): 3.4627 3.4627 3.5978 3.5978 5.9907 5.9907 6.0469 6.0469 6.2308 6.2308 6.2583 6.2583 6.5941 6.5941 6.6137 6.6137 7.2481 7.2481 7.3596 7.3596 7.6689 7.6689 7.6797 7.6797 7.7579 7.7579 7.8023 7.8023 7.8810 7.8810 7.8944 7.8944 8.6573 8.6573 8.6865 8.6865 9.2218 9.2218 9.2791 9.2791 9.6177 9.6177 9.6284 9.6284 9.8611 9.8611 9.8950 9.8950 k = 0.0000 0.0000 0.2885 ( 6462 PWs) bands (ev): 3.3998 3.3998 3.6696 3.6696 5.9626 5.9626 6.0747 6.0747 6.2161 6.2161 6.2719 6.2719 6.5802 6.5802 6.6195 6.6195 7.1963 7.1963 7.4178 7.4178 7.6639 7.6639 7.6853 7.6853 7.7327 7.7327 7.8204 7.8204 7.8750 7.8750 7.9013 7.9013 8.6392 8.6392 8.6979 8.6979 9.1928 9.1928 9.3048 9.3048 9.6155 9.6155 9.6388 9.6388 9.8535 9.8535 9.9158 9.9158 k = 0.0000 0.0000 0.2705 ( 6454 PWs) bands (ev): 3.3401 3.3401 3.7442 3.7442 5.9345 5.9345 6.1020 6.1020 6.1998 6.1998 6.2860 6.2860 6.5639 6.5639 6.6229 6.6229 7.1482 7.1482 7.4765 7.4765 7.6591 7.6591 7.6896 7.6896 7.7076 7.7076 7.8344 7.8344 7.8706 7.8706 7.9083 7.9083 8.6190 8.6190 8.7075 8.7075 9.1647 9.1647 9.3260 9.3260 9.6149 9.6149 9.6534 9.6534 9.8551 9.8551 9.9360 9.9360 k = 0.0000 0.0000 0.2525 ( 6450 PWs) bands (ev): 3.2838 3.2838 3.8212 3.8212 5.9066 5.9066 6.1285 6.1285 6.1813 6.1813 6.3006 6.3006 6.5458 6.5458 6.6239 6.6239 7.1045 7.1045 7.5350 7.5350 7.6534 7.6534 7.6763 7.6763 7.7006 7.7006 7.8420 7.8420 7.8703 7.8703 7.9151 7.9151 8.5967 8.5967 8.7157 8.7157 9.1381 9.1381 9.3406 9.3406 9.6167 9.6167 9.6722 9.6722 9.8669 9.8669 9.9537 9.9537 k = 0.0000 0.0000 0.2344 ( 6460 PWs) bands (ev): 3.2309 3.2309 3.9005 3.9005 5.8785 5.8785 6.1486 6.1486 6.1648 6.1648 6.3157 6.3157 6.5268 6.5268 6.6229 6.6229 7.0655 7.0655 7.5915 7.5915 7.6392 7.6392 7.6597 7.6597 7.7059 7.7059 7.8417 7.8417 7.8757 7.8757 7.9218 7.9218 8.5728 8.5728 8.7229 8.7229 9.1134 9.1134 9.3467 9.3467 9.6230 9.6230 9.6952 9.6952 9.8881 9.8881 9.9678 9.9678 k = 0.0000 0.0000 0.2164 ( 6464 PWs) bands (ev): 3.1816 3.1816 3.9820 3.9820 5.8503 5.8503 6.1286 6.1286 6.1832 6.1832 6.3313 6.3313 6.5084 6.5084 6.6199 6.6199 7.0315 7.0315 7.6084 7.6084 7.6433 7.6433 7.6617 7.6617 7.7124 7.7124 7.8375 7.8375 7.8832 7.8832 7.9283 7.9283 8.5477 8.5477 8.7292 8.7292 9.0905 9.0905 9.3440 9.3440 9.6353 9.6353 9.7219 9.7219 9.9167 9.9167 9.9779 9.9779 k = 0.0000 0.0000 0.1984 ( 6460 PWs) bands (ev): 3.1359 3.1359 4.0652 4.0652 5.8213 5.8213 6.0969 6.0969 6.2077 6.2077 6.3472 6.3472 6.4917 6.4917 6.6153 6.6153 7.0023 7.0023 7.5796 7.5796 7.6479 7.6479 7.7036 7.7036 7.7220 7.7220 7.8322 7.8322 7.8907 7.8907 7.9346 7.9346 8.5219 8.5219 8.7351 8.7351 9.0698 9.0698 9.3336 9.3336 9.6537 9.6537 9.7516 9.7516 9.9492 9.9492 9.9856 9.9856 k = 0.0000 0.0000 0.1803 ( 6442 PWs) bands (ev): 3.0939 3.0939 4.1500 4.1500 5.7910 5.7910 6.0601 6.0601 6.2319 6.2319 6.3632 6.3632 6.4778 6.4778 6.6090 6.6090 6.9776 6.9776 7.5495 7.5495 7.6465 7.6465 7.7210 7.7210 7.7597 7.7597 7.8271 7.8271 7.8988 7.8988 7.9406 7.9406 8.4957 8.4957 8.7408 8.7408 9.0511 9.0511 9.3177 9.3177 9.6772 9.6772 9.7835 9.7835 9.9733 9.9733 10.0018 10.0018 k = 0.0000 0.0000 0.1623 ( 6442 PWs) bands (ev): 3.0558 3.0558 4.2361 4.2361 5.7582 5.7582 6.0199 6.0199 6.2554 6.2554 6.3790 6.3790 6.4670 6.4670 6.6014 6.6014 6.9569 6.9569 7.5198 7.5198 7.6453 7.6453 7.7272 7.7272 7.7994 7.7994 7.8246 7.8246 7.9100 7.9100 7.9463 7.9463 8.4694 8.4694 8.7462 8.7462 9.0343 9.0343 9.2985 9.2985 9.7045 9.7045 9.8167 9.8167 9.9778 9.9778 10.0356 10.0357 k = 0.0000 0.0000 0.1443 ( 6439 PWs) bands (ev): 3.0215 3.0215 4.3229 4.3229 5.7213 5.7213 5.9789 5.9789 6.2783 6.2783 6.3942 6.3942 6.4595 6.4595 6.5924 6.5924 6.9398 6.9398 7.4911 7.4911 7.6445 7.6445 7.7323 7.7323 7.8109 7.8109 7.8390 7.8390 7.9294 7.9294 7.9523 7.9523 8.4432 8.4432 8.7516 8.7516 9.0196 9.0196 9.2779 9.2779 9.7346 9.7346 9.8504 9.8504 9.9765 9.9765 10.0604 10.0605 k = 0.0000 0.0000 0.1262 ( 6443 PWs) bands (ev): 2.9910 2.9910 4.4100 4.4100 5.6788 5.6788 5.9399 5.9399 6.3005 6.3005 6.4085 6.4085 6.4548 6.4548 6.5823 6.5823 6.9257 6.9257 7.4642 7.4642 7.6441 7.6441 7.7367 7.7367 7.8078 7.8078 7.8535 7.8535 7.9514 7.9514 7.9669 7.9669 8.4173 8.4173 8.7569 8.7569 9.0067 9.0067 9.2572 9.2572 9.7665 9.7665 9.8834 9.8834 9.9734 9.9734 10.0566 10.0566 k = 0.0000 0.0000 0.1082 ( 6443 PWs) bands (ev): 2.9646 2.9646 4.4967 4.4967 5.6295 5.6295 5.9055 5.9055 6.3218 6.3218 6.4214 6.4214 6.4524 6.4524 6.5713 6.5713 6.9144 6.9144 7.4393 7.4393 7.6439 7.6439 7.7403 7.7403 7.8040 7.8040 7.8593 7.8593 7.9582 7.9582 8.0030 8.0030 8.3914 8.3914 8.7620 8.7620 8.9957 8.9957 9.2375 9.2375 9.7996 9.7996 9.9147 9.9147 9.9698 9.9698 10.0509 10.0509 k = 0.0000 0.0000 0.0902 ( 6447 PWs) bands (ev): 2.9421 2.9421 4.5819 4.5819 5.5738 5.5738 5.8773 5.8773 6.3422 6.3422 6.4327 6.4327 6.4517 6.4517 6.5596 6.5596 6.9053 6.9053 7.4172 7.4172 7.6440 7.6440 7.7432 7.7432 7.8006 7.8006 7.8606 7.8606 7.9623 7.9623 8.0431 8.0431 8.3656 8.3656 8.7668 8.7668 8.9864 8.9864 9.2195 9.2195 9.8333 9.8333 9.9434 9.9434 9.9662 9.9662 10.0462 10.0462 k = 0.0000 0.0000 0.0721 ( 6457 PWs) bands (ev): 2.9237 2.9237 4.6642 4.6642 5.5137 5.5137 5.8553 5.8553 6.3614 6.3614 6.4417 6.4417 6.4525 6.4525 6.5477 6.5477 6.8983 6.8983 7.3983 7.3983 7.6443 7.6443 7.7454 7.7454 7.7979 7.7979 7.8599 7.8599 7.9655 7.9655 8.0827 8.0827 8.3395 8.3395 8.7712 8.7712 8.9789 8.9789 9.2040 9.2040 9.8671 9.8671 9.9622 9.9622 9.9692 9.9692 10.0426 10.0426 k = 0.0000 0.0000 0.0541 ( 6469 PWs) bands (ev): 2.9094 2.9094 4.7408 4.7408 5.4530 5.4530 5.8392 5.8392 6.3788 6.3788 6.4475 6.4475 6.4548 6.4548 6.5360 6.5360 6.8931 6.8931 7.3830 7.3830 7.6446 7.6446 7.7469 7.7469 7.7958 7.7958 7.8585 7.8585 7.9680 7.9680 8.1208 8.1208 8.3130 8.3130 8.7749 8.7749 8.9732 8.9732 9.1913 9.1913 9.9002 9.9002 9.9605 9.9605 9.9894 9.9894 10.0399 10.0399 k = 0.0000 0.0000 0.0361 ( 6479 PWs) bands (ev): 2.8991 2.8991 4.8070 4.8070 5.3972 5.3972 5.8283 5.8283 6.3935 6.3935 6.4503 6.4503 6.4579 6.4579 6.5258 6.5258 6.8895 6.8895 7.3718 7.3718 7.6448 7.6448 7.7478 7.7478 7.7945 7.7945 7.8570 7.8570 7.9697 7.9697 8.1566 8.1566 8.2858 8.2858 8.7778 8.7778 8.9690 8.9690 9.1820 9.1820 9.9298 9.9298 9.9620 9.9620 10.0047 10.0047 10.0378 10.0378 k = 0.0000 0.0000 0.0180 ( 6481 PWs) bands (ev): 2.8929 2.8929 4.8547 4.8547 5.3555 5.3555 5.8219 5.8219 6.4038 6.4038 6.4517 6.4517 6.4599 6.4599 6.5185 6.5185 6.8874 6.8874 7.3649 7.3649 7.6450 7.6450 7.7482 7.7482 7.7937 7.7937 7.8560 7.8560 7.9708 7.9708 8.1895 8.1895 8.2583 8.2583 8.7796 8.7796 8.9666 8.9666 9.1763 9.1763 9.9453 9.9453 9.9769 9.9769 10.0140 10.0187 10.0328 10.0334 k = 0.0000 0.0000 0.0000 ( 6477 PWs) bands (ev): 2.8909 2.8909 4.8726 4.8726 5.3395 5.3395 5.8198 5.8198 6.4077 6.4077 6.4522 6.4522 6.4604 6.4604 6.5158 6.5158 6.8867 6.8867 7.3626 7.3626 7.6451 7.6451 7.7484 7.7484 7.7934 7.7934 7.8557 7.8557 7.9712 7.9712 8.2108 8.2108 8.2388 8.2388 8.7802 8.7802 8.9658 8.9658 9.1743 9.1743 9.9475 9.9475 9.9964 9.9964 10.0142 10.0142 10.0193 10.0199 k = 0.0000 0.0000 0.0000 ( 6477 PWs) bands (ev): 2.8909 2.8909 4.8726 4.8726 5.3395 5.3395 5.8198 5.8198 6.4077 6.4077 6.4522 6.4522 6.4604 6.4604 6.5158 6.5158 6.8867 6.8867 7.3626 7.3626 7.6451 7.6451 7.7484 7.7484 7.7934 7.7934 7.8557 7.8557 7.9712 7.9712 8.2108 8.2108 8.2388 8.2388 8.7802 8.7802 8.9658 8.9658 9.1743 9.1743 9.9475 9.9475 9.9964 9.9964 10.0142 10.0142 10.0193 10.0212 k =-0.0172 0.0052 0.0000 ( 6483 PWs) bands (ev): 2.8929 2.8929 4.8735 4.8735 5.3404 5.3404 5.8186 5.8186 6.4073 6.4073 6.4476 6.4476 6.4626 6.4626 6.5149 6.5149 6.8883 6.8883 7.3630 7.3630 7.6443 7.6443 7.7480 7.7480 7.7933 7.7933 7.8539 7.8539 7.9713 7.9713 8.2080 8.2080 8.2393 8.2393 8.7774 8.7774 8.9679 8.9679 9.1752 9.1752 9.9168 9.9168 9.9925 9.9925 10.0202 10.0203 10.0392 10.0393 k =-0.0345 0.0104 0.0000 ( 6469 PWs) bands (ev): 2.8990 2.8990 4.8761 4.8761 5.3429 5.3429 5.8149 5.8149 6.4055 6.4055 6.4380 6.4380 6.4660 6.4660 6.5121 6.5121 6.8932 6.8932 7.3641 7.3641 7.6419 7.6419 7.7470 7.7470 7.7929 7.7929 7.8487 7.8487 7.9718 7.9718 8.1996 8.1996 8.2409 8.2409 8.7700 8.7700 8.9738 8.9738 9.1776 9.1776 9.8683 9.8683 9.9701 9.9701 10.0436 10.0436 10.0479 10.0481 k =-0.0517 0.0157 0.0000 ( 6459 PWs) bands (ev): 2.9092 2.9092 4.8804 4.8804 5.3473 5.3473 5.8088 5.8088 6.3994 6.3994 6.4279 6.4279 6.4695 6.4695 6.5068 6.5068 6.9011 6.9011 7.3659 7.3659 7.6381 7.6381 7.7453 7.7453 7.7923 7.7923 7.8402 7.8402 7.9727 7.9727 8.1855 8.1855 8.2434 8.2434 8.7597 8.7597 8.9819 8.9819 9.1818 9.1818 9.8174 9.8174 9.9484 9.9484 10.0515 10.0515 10.0692 10.0692 k =-0.0690 0.0209 0.0000 ( 6447 PWs) bands (ev): 2.9234 2.9234 4.8865 4.8865 5.3533 5.3533 5.8004 5.8004 6.3845 6.3845 6.4224 6.4224 6.4723 6.4723 6.4993 6.4993 6.9120 6.9120 7.3683 7.3683 7.6327 7.6327 7.7428 7.7428 7.7915 7.7915 7.8286 7.8286 7.9739 7.9739 8.1653 8.1653 8.2466 8.2466 8.7487 8.7487 8.9907 8.9907 9.1878 9.1878 9.7659 9.7659 9.9270 9.9270 10.0615 10.0615 10.0852 10.0852 k =-0.0862 0.0261 0.0000 ( 6455 PWs) bands (ev): 2.9416 2.9416 4.8942 4.8942 5.3611 5.3611 5.7899 5.7899 6.3615 6.3615 6.4210 6.4210 6.4711 6.4711 6.4928 6.4928 6.9254 6.9254 7.3712 7.3712 7.6260 7.6260 7.7396 7.7396 7.7902 7.7902 7.8144 7.8144 7.9753 7.9753 8.1391 8.1391 8.2504 8.2504 8.7386 8.7386 8.9991 8.9991 9.1956 9.1956 9.7146 9.7146 9.9060 9.9060 10.0735 10.0735 10.0831 10.0831 k =-0.1034 0.0313 0.0000 ( 6445 PWs) bands (ev): 2.9637 2.9637 4.9036 4.9036 5.3706 5.3706 5.7774 5.7774 6.3333 6.3333 6.4212 6.4212 6.4607 6.4607 6.4927 6.4927 6.9410 6.9410 7.3747 7.3747 7.6181 7.6181 7.7356 7.7356 7.7865 7.7865 7.8002 7.8002 7.9769 7.9769 8.1069 8.1069 8.2546 8.2546 8.7305 8.7305 9.0066 9.0066 9.2052 9.2052 9.6638 9.6638 9.8852 9.8852 10.0535 10.0535 10.0892 10.0892 k =-0.1207 0.0366 0.0000 ( 6441 PWs) bands (ev): 2.9899 2.9899 4.9145 4.9145 5.3819 5.3819 5.7631 5.7631 6.3008 6.3008 6.4219 6.4219 6.4439 6.4439 6.4963 6.4963 6.9585 6.9585 7.3784 7.3784 7.6090 7.6090 7.7308 7.7308 7.7727 7.7727 7.7940 7.7940 7.9785 7.9785 8.0693 8.0693 8.2590 8.2590 8.7248 8.7248 9.0130 9.0130 9.2166 9.2166 9.6140 9.6140 9.8645 9.8645 10.0133 10.0133 10.1057 10.1057 k =-0.1379 0.0418 0.0000 ( 6439 PWs) bands (ev): 3.0199 3.0199 4.9270 4.9270 5.3950 5.3950 5.7470 5.7470 6.2645 6.2645 6.4197 6.4197 6.4270 6.4270 6.5009 6.5009 6.9773 6.9773 7.3822 7.3822 7.5989 7.5989 7.7254 7.7254 7.7525 7.7525 7.7931 7.7931 7.9791 7.9791 8.0278 8.0278 8.2634 8.2634 8.7216 8.7216 9.0186 9.0186 9.2295 9.2295 9.5654 9.5654 9.8437 9.8437 9.9686 9.9686 10.1234 10.1234 k =-0.1552 0.0470 0.0000 ( 6445 PWs) bands (ev): 3.0538 3.0538 4.9410 4.9410 5.4099 5.4099 5.7291 5.7291 6.2250 6.2250 6.3997 6.3997 6.4259 6.4259 6.5052 6.5052 6.9970 6.9970 7.3858 7.3858 7.5881 7.5881 7.7190 7.7190 7.7305 7.7305 7.7933 7.7933 7.9684 7.9684 7.9936 7.9936 8.2677 8.2677 8.7203 8.7203 9.0236 9.0236 9.2433 9.2433 9.5188 9.5188 9.8227 9.8227 9.9217 9.9217 10.1414 10.1414 k =-0.1724 0.0522 0.0000 ( 6441 PWs) bands (ev): 3.0914 3.0914 4.9564 4.9564 5.4266 5.4266 5.7092 5.7092 6.1825 6.1825 6.3760 6.3760 6.4270 6.4270 6.5090 6.5090 7.0172 7.0172 7.3889 7.3889 7.5765 7.5765 7.7058 7.7058 7.7141 7.7141 7.7941 7.7941 7.9250 7.9250 7.9891 7.9891 8.2719 8.2719 8.7202 8.7202 9.0289 9.0289 9.2569 9.2569 9.4753 9.4753 9.8014 9.8014 9.8737 9.8737 10.1583 10.1584 k =-0.1897 0.0574 0.0000 ( 6445 PWs) bands (ev): 3.1327 3.1327 4.9730 4.9730 5.4450 5.4450 5.6870 5.6870 6.1377 6.1377 6.3512 6.3512 6.4280 6.4280 6.5119 6.5119 7.0374 7.0374 7.3909 7.3909 7.5645 7.5645 7.6832 7.6832 7.7066 7.7066 7.7956 7.7956 7.8744 7.8744 7.9901 7.9901 8.2760 8.2760 8.7208 8.7208 9.0351 9.0351 9.2678 9.2678 9.4371 9.4371 9.7796 9.7796 9.8258 9.8258 10.1723 10.1723 k =-0.2069 0.0627 0.0000 ( 6445 PWs) bands (ev): 3.1777 3.1777 4.9909 4.9909 5.4652 5.4652 5.6620 5.6620 6.0916 6.0916 6.3258 6.3258 6.4287 6.4287 6.5138 6.5138 7.0572 7.0572 7.3913 7.3913 7.5521 7.5521 7.6606 7.6606 7.6993 7.6993 7.7975 7.7975 7.8228 7.8228 7.9916 7.9916 8.2801 8.2801 8.7210 8.7210 9.0428 9.0428 9.2713 9.2713 9.4089 9.4089 9.7558 9.7558 9.7796 9.7796 10.1807 10.1807 k =-0.2241 0.0679 0.0000 ( 6441 PWs) bands (ev): 3.2261 3.2261 5.0099 5.0099 5.4872 5.4872 5.6334 5.6334 6.0450 6.0450 6.3000 6.3000 6.4289 6.4289 6.5145 6.5145 7.0763 7.0763 7.3890 7.3890 7.5396 7.5396 7.6389 7.6389 7.6919 7.6919 7.7723 7.7723 7.8001 7.8001 7.9931 7.9931 8.2841 8.2841 8.7203 8.7203 9.0525 9.0525 9.2611 9.2611 9.3969 9.3969 9.7223 9.7223 9.7438 9.7438 10.1810 10.1810 k =-0.2414 0.0731 0.0000 ( 6439 PWs) bands (ev): 3.2780 3.2780 5.0297 5.0297 5.5110 5.5110 5.6004 5.6004 5.9995 5.9995 6.2741 6.2741 6.4283 6.4283 6.5141 6.5141 7.0943 7.0943 7.3828 7.3828 7.5270 7.5270 7.6186 7.6186 7.6844 7.6844 7.7253 7.7253 7.8030 7.8030 7.9944 7.9944 8.2883 8.2883 8.7183 8.7183 9.0647 9.0647 9.2371 9.2371 9.4007 9.4007 9.6784 9.6784 9.7195 9.7195 10.1719 10.1719 k =-0.2586 0.0783 0.0000 ( 6451 PWs) bands (ev): 3.3331 3.3331 5.0504 5.0504 5.5362 5.5362 5.5621 5.5621 5.9564 5.9564 6.2482 6.2482 6.4268 6.4268 6.5125 6.5125 7.1110 7.1110 7.3710 7.3710 7.5144 7.5144 7.5999 7.5999 7.6769 7.6769 7.6840 7.6840 7.8064 7.8064 7.9954 7.9954 8.2928 8.2928 8.7148 8.7148 9.0793 9.0793 9.2059 9.2059 9.4136 9.4136 9.6338 9.6338 9.6975 9.6975 10.1545 10.1545 k =-0.2759 0.0835 0.0000 ( 6457 PWs) bands (ev): 3.3914 3.3914 5.0716 5.0716 5.5165 5.5165 5.5638 5.5638 5.9171 5.9171 6.2223 6.2223 6.4240 6.4240 6.5099 6.5099 7.1260 7.1260 7.3524 7.3524 7.5020 7.5020 7.5829 7.5829 7.6503 7.6503 7.6696 7.6696 7.8102 7.8102 7.9960 7.9960 8.2976 8.2976 8.7097 8.7097 9.0962 9.0962 9.1725 9.1725 9.4304 9.4304 9.5906 9.5906 9.6764 9.6764 10.1313 10.1313 k =-0.2931 0.0888 0.0000 ( 6457 PWs) bands (ev): 3.4526 3.4526 5.0932 5.0932 5.4648 5.4648 5.5924 5.5924 5.8826 5.8826 6.1968 6.1968 6.4198 6.4198 6.5063 6.5063 7.1394 7.1394 7.3265 7.3265 7.4900 7.4900 7.5675 7.5675 7.6259 7.6259 7.6625 7.6625 7.8144 7.8144 7.9963 7.9963 8.3028 8.3028 8.7032 8.7032 9.1149 9.1149 9.1396 9.1396 9.4486 9.4486 9.5494 9.5494 9.6560 9.6560 10.1050 10.1050 k =-0.3103 0.0940 0.0000 ( 6439 PWs) bands (ev): 3.5166 3.5166 5.1150 5.1150 5.4062 5.4062 5.6225 5.6225 5.8532 5.8532 6.1716 6.1716 6.4139 6.4139 6.5020 6.5020 7.1509 7.1509 7.2943 7.2943 7.4786 7.4786 7.5536 7.5536 7.6102 7.6102 7.6557 7.6557 7.8190 7.8190 7.9962 7.9962 8.3085 8.3085 8.6958 8.6958 9.1073 9.1073 9.1357 9.1357 9.4664 9.4664 9.5108 9.5108 9.6364 9.6364 10.0775 10.0775 k =-0.3276 0.0992 0.0000 ( 6439 PWs) bands (ev): 3.5832 3.5832 5.1365 5.1365 5.3414 5.3414 5.6539 5.6539 5.8290 5.8290 6.1469 6.1469 6.4060 6.4060 6.4970 6.4970 7.1605 7.1605 7.2581 7.2581 7.4680 7.4680 7.5413 7.5413 7.6012 7.6012 7.6492 7.6492 7.8238 7.8238 7.9957 7.9957 8.3146 8.3146 8.6877 8.6877 9.0778 9.0778 9.1567 9.1567 9.4707 9.4707 9.4874 9.4874 9.6178 9.6178 10.0503 10.0503 k =-0.3448 0.1044 0.0000 ( 6432 PWs) bands (ev): 3.6519 3.6519 5.1576 5.1576 5.2717 5.2717 5.6863 5.6863 5.8093 5.8093 6.1230 6.1230 6.3958 6.3958 6.4916 6.4916 7.1680 7.1680 7.2208 7.2208 7.4581 7.4581 7.5307 7.5307 7.5968 7.5968 7.6431 7.6431 7.8288 7.8288 7.9948 7.9948 8.3210 8.3210 8.6792 8.6792 9.0508 9.0508 9.1781 9.1781 9.4390 9.4390 9.5017 9.5017 9.6004 9.6004 10.0242 10.0242 k =-0.3621 0.1097 0.0000 ( 6422 PWs) bands (ev): 3.7225 3.7225 5.1761 5.1761 5.1999 5.1999 5.7196 5.7196 5.7938 5.7938 6.0999 6.0999 6.3833 6.3833 6.4860 6.4860 7.1695 7.1695 7.1885 7.1885 7.4492 7.4492 7.5217 7.5217 7.5953 7.5953 7.6376 7.6376 7.8338 7.8338 7.9936 7.9936 8.3276 8.3276 8.6708 8.6708 9.0265 9.0265 9.1991 9.1991 9.4083 9.4083 9.5162 9.5162 9.5843 9.5843 9.9999 9.9999 k =-0.3793 0.1149 0.0000 ( 6422 PWs) bands (ev): 3.7945 3.7945 5.1203 5.1203 5.1986 5.1986 5.7529 5.7529 5.7820 5.7820 6.0780 6.0780 6.3684 6.3684 6.4804 6.4804 7.1438 7.1438 7.1843 7.1843 7.4411 7.4411 7.5141 7.5141 7.5956 7.5956 7.6325 7.6325 7.8388 7.8388 7.9921 7.9921 8.3341 8.3341 8.6627 8.6627 9.0052 9.0052 9.2191 9.2191 9.3807 9.3807 9.5289 9.5289 9.5699 9.5699 9.9779 9.9779 k =-0.3966 0.1201 0.0000 ( 6426 PWs) bands (ev): 3.8671 3.8671 5.0430 5.0430 5.2162 5.2162 5.7710 5.7710 5.7884 5.7884 6.0576 6.0576 6.3513 6.3513 6.4751 6.4751 7.1127 7.1127 7.1878 7.1878 7.4340 7.4340 7.5078 7.5078 7.5969 7.5969 7.6280 7.6280 7.8437 7.8437 7.9905 7.9905 8.3405 8.3405 8.6552 8.6552 8.9869 8.9869 9.2376 9.2376 9.3564 9.3564 9.5390 9.5390 9.5579 9.5579 9.9584 9.9584 k =-0.4138 0.1253 0.0000 ( 6438 PWs) bands (ev): 3.9393 3.9393 4.9657 4.9657 5.2321 5.2321 5.7651 5.7651 5.8205 5.8205 6.0390 6.0390 6.3324 6.3324 6.4702 6.4702 7.0850 7.0850 7.1910 7.1910 7.4279 7.4279 7.5026 7.5026 7.5986 7.5986 7.6241 7.6241 7.8481 7.8481 7.9887 7.9887 8.3463 8.3463 8.6484 8.6484 8.9716 8.9716 9.2539 9.2539 9.3358 9.3358 9.5409 9.5409 9.5541 9.5541 9.9417 9.9417 k =-0.4310 0.1305 0.0000 ( 6430 PWs) bands (ev): 4.0096 4.0096 4.8908 4.8908 5.2459 5.2459 5.7606 5.7606 5.8515 5.8515 6.0228 6.0228 6.3127 6.3127 6.4659 6.4659 7.0620 7.0620 7.1936 7.1936 7.4228 7.4228 7.4984 7.4984 7.6005 7.6005 7.6209 7.6209 7.8522 7.8522 7.9870 7.9870 8.3515 8.3515 8.6427 8.6427 8.9595 8.9595 9.2672 9.2672 9.3193 9.3193 9.5335 9.5335 9.5596 9.5596 9.9278 9.9278 k =-0.4483 0.1358 0.0000 ( 6432 PWs) bands (ev): 4.0753 4.0753 4.8211 4.8211 5.2570 5.2570 5.7577 5.7577 5.8793 5.8793 6.0093 6.0093 6.2936 6.2936 6.4624 6.4624 7.0439 7.0439 7.1955 7.1955 7.4188 7.4188 7.4951 7.4951 7.6021 7.6021 7.6184 7.6184 7.8555 7.8555 7.9855 7.9855 8.3557 8.3557 8.6381 8.6381 8.9502 8.9502 9.2761 9.2761 9.3081 9.3081 9.5264 9.5264 9.5650 9.5650 9.9170 9.9170 k =-0.4655 0.1410 0.0000 ( 6438 PWs) bands (ev): 4.1318 4.1318 4.7616 4.7616 5.2652 5.2652 5.7560 5.7560 5.9019 5.9019 5.9992 5.9992 6.2772 6.2772 6.4598 6.4598 7.0309 7.0309 7.1969 7.1969 7.4159 7.4159 7.4928 7.4928 7.6034 7.6034 7.6165 7.6165 7.8580 7.8580 7.9842 7.9842 8.3589 8.3589 8.6347 8.6347 8.9436 8.9436 9.2788 9.2788 9.3040 9.3040 9.5210 9.5210 9.5690 9.5690 9.9091 9.9091 k =-0.4828 0.1462 0.0000 ( 6442 PWs) bands (ev): 4.1720 4.1720 4.7195 4.7195 5.2702 5.2702 5.7552 5.7552 5.9169 5.9169 5.9929 5.9929 6.2658 6.2658 6.4582 6.4582 7.0231 7.0231 7.1977 7.1977 7.4142 7.4142 7.4914 7.4914 7.6042 7.6042 7.6154 7.6154 7.8596 7.8596 7.9835 7.9835 8.3609 8.3609 8.6326 8.6326 8.9398 8.9398 9.2773 9.2773 9.3046 9.3046 9.5178 9.5178 9.5714 9.5714 9.9044 9.9044 k =-0.5000 0.1514 0.0000 ( 6440 PWs) bands (ev): 4.1869 4.1869 4.7039 4.7039 5.2719 5.2719 5.7549 5.7549 5.9222 5.9222 5.9908 5.9908 6.2616 6.2616 6.4577 6.4577 7.0205 7.0205 7.1980 7.1980 7.4136 7.4136 7.4909 7.4909 7.6045 7.6045 7.6150 7.6150 7.8602 7.8602 7.9832 7.9832 8.3615 8.3615 8.6319 8.6319 8.9385 8.9385 9.2763 9.2763 9.3054 9.3054 9.5167 9.5167 9.5722 9.5722 9.9029 9.9029 k =-0.5000 0.1514 0.0000 ( 6440 PWs) bands (ev): 4.1869 4.1869 4.7039 4.7039 5.2719 5.2719 5.7549 5.7549 5.9222 5.9222 5.9908 5.9908 6.2616 6.2616 6.4577 6.4577 7.0205 7.0205 7.1980 7.1980 7.4136 7.4136 7.4909 7.4909 7.6045 7.6045 7.6150 7.6150 7.8602 7.8602 7.9832 7.9832 8.3615 8.3615 8.6319 8.6319 8.9385 8.9385 9.2763 9.2763 9.3054 9.3054 9.5167 9.5167 9.5722 9.5722 9.9029 9.9029 k =-0.4947 0.1689-0.0000 ( 6446 PWs) bands (ev): 4.1885 4.1885 4.7056 4.7056 5.2734 5.2734 5.7569 5.7569 5.9239 5.9239 5.9923 5.9923 6.2634 6.2634 6.4589 6.4589 7.0195 7.0195 7.1979 7.1979 7.4145 7.4145 7.4857 7.4857 7.6031 7.6031 7.6208 7.6208 7.8604 7.8604 7.9841 7.9841 8.3599 8.3599 8.6317 8.6317 8.9377 8.9377 9.2762 9.2762 9.3040 9.3040 9.5127 9.5127 9.5717 9.5717 9.9020 9.9020 k =-0.4894 0.1863-0.0000 ( 6442 PWs) bands (ev): 4.1934 4.1934 4.7107 4.7107 5.2777 5.2777 5.7628 5.7628 5.9290 5.9290 5.9970 5.9970 6.2687 6.2687 6.4627 6.4627 7.0165 7.0165 7.1977 7.1977 7.4173 7.4173 7.4719 7.4719 7.6009 7.6009 7.6344 7.6344 7.8611 7.8611 7.9869 7.9869 8.3551 8.3551 8.6312 8.6312 8.9354 8.9354 9.2750 9.2750 9.3010 9.3010 9.5008 9.5008 9.5703 9.5703 9.8995 9.8995 k =-0.4842 0.2037-0.0000 ( 6442 PWs) bands (ev): 4.2014 4.2014 4.7192 4.7192 5.2850 5.2850 5.7725 5.7725 5.9374 5.9374 6.0049 6.0049 6.2775 6.2775 6.4690 6.4690 7.0116 7.0116 7.1975 7.1975 7.4217 7.4217 7.4531 7.4531 7.5984 7.5984 7.6517 7.6517 7.8622 7.8622 7.9913 7.9913 8.3473 8.3473 8.6304 8.6304 8.9316 8.9316 9.2693 9.2693 9.2997 9.2997 9.4814 9.4814 9.5682 9.5682 9.8953 9.8953 k =-0.4789 0.2212-0.0000 ( 6450 PWs) bands (ev): 4.2126 4.2126 4.7310 4.7310 5.2952 5.2952 5.7861 5.7861 5.9491 5.9491 6.0157 6.0157 6.2897 6.2897 6.4777 6.4777 7.0048 7.0048 7.1972 7.1972 7.4263 7.4263 7.4330 7.4330 7.5953 7.5953 7.6708 7.6708 7.8637 7.8637 7.9974 7.9974 8.3365 8.3365 8.6294 8.6294 8.9262 8.9262 9.2569 9.2569 9.3023 9.3023 9.4551 9.4551 9.5657 9.5657 9.8895 9.8895 k =-0.4736 0.2386-0.0000 ( 6452 PWs) bands (ev): 4.2269 4.2269 4.7460 4.7460 5.3081 5.3081 5.8034 5.8034 5.9639 5.9639 6.0296 6.0296 6.3051 6.3051 6.4889 6.4889 6.9964 6.9964 7.1972 7.1972 7.4079 7.4079 7.4362 7.4362 7.5916 7.5916 7.6905 7.6905 7.8657 7.8657 8.0051 8.0051 8.3229 8.3229 8.6283 8.6283 8.9194 8.9194 9.2390 9.2390 9.3075 9.3075 9.4226 9.4226 9.5631 9.5631 9.8820 9.8820 k =-0.4683 0.2560-0.0000 ( 6455 PWs) bands (ev): 4.2443 4.2443 4.7642 4.7642 5.3239 5.3239 5.8244 5.8244 5.9818 5.9818 6.0464 6.0464 6.3235 6.3235 6.5022 6.5022 6.9865 6.9865 7.1973 7.1973 7.3846 7.3846 7.4450 7.4450 7.5872 7.5872 7.7099 7.7099 7.8679 7.8679 8.0141 8.0141 8.3068 8.3068 8.6274 8.6274 8.9113 8.9113 9.2169 9.2169 9.3136 9.3136 9.3848 9.3848 9.5611 9.5611 9.8729 9.8729 k =-0.4630 0.2735-0.0000 ( 6459 PWs) bands (ev): 4.2647 4.2647 4.7856 4.7856 5.3425 5.3425 5.8488 5.8488 6.0027 6.0027 6.0659 6.0659 6.3447 6.3447 6.5179 6.5179 6.9753 6.9753 7.1979 7.1979 7.3611 7.3611 7.4551 7.4551 7.5823 7.5823 7.7287 7.7287 7.8704 7.8704 8.0242 8.0242 8.2886 8.2886 8.6269 8.6269 8.9020 8.9020 9.1915 9.1915 9.3182 9.3182 9.3436 9.3436 9.5604 9.5604 9.8623 9.8623 k =-0.4578 0.2909-0.0000 ( 6451 PWs) bands (ev): 4.2880 4.2880 4.8098 4.8098 5.3638 5.3638 5.8767 5.8767 6.0263 6.0263 6.0881 6.0881 6.3683 6.3683 6.5355 6.5355 6.9632 6.9632 7.1990 7.1990 7.3381 7.3381 7.4662 7.4662 7.5768 7.5768 7.7467 7.7467 7.8731 7.8731 8.0353 8.0353 8.2685 8.2685 8.6268 8.6268 8.8915 8.8915 9.1633 9.1633 9.2915 9.2915 9.3287 9.3287 9.5616 9.5616 9.8501 9.8501 k =-0.4525 0.3084-0.0000 ( 6457 PWs) bands (ev): 4.3142 4.3142 4.8370 4.8370 5.3877 5.3877 5.9077 5.9077 6.0524 6.0524 6.1129 6.1129 6.3940 6.3940 6.5551 6.5551 6.9503 6.9503 7.2006 7.2006 7.3158 7.3158 7.4779 7.4779 7.5709 7.5709 7.7637 7.7637 7.8760 7.8760 8.0472 8.0472 8.2469 8.2469 8.6276 8.6276 8.8800 8.8800 9.1331 9.1331 9.2416 9.2416 9.3315 9.3315 9.5651 9.5651 9.8365 9.8365 k =-0.4472 0.3258-0.0000 ( 6457 PWs) bands (ev): 4.3432 4.3432 4.8668 4.8668 5.4142 5.4142 5.9417 5.9417 6.0809 6.0809 6.1400 6.1400 6.4212 6.4212 6.5763 6.5763 6.9371 6.9371 7.2028 7.2028 7.2945 7.2945 7.4901 7.4901 7.5645 7.5645 7.7795 7.7795 7.8789 7.8789 8.0598 8.0598 8.2244 8.2244 8.6295 8.6295 8.8677 8.8677 9.1012 9.1012 9.1879 9.1879 9.3329 9.3329 9.5712 9.5712 9.8214 9.8214 k =-0.4419 0.3432-0.0000 ( 6449 PWs) bands (ev): 4.3748 4.3748 4.8991 4.8991 5.4431 5.4431 5.9784 5.9784 6.1114 6.1114 6.1692 6.1692 6.4492 6.4492 6.5991 6.5991 6.9241 6.9241 7.2058 7.2058 7.2747 7.2747 7.5026 7.5026 7.5578 7.5578 7.7941 7.7941 7.8820 7.8820 8.0730 8.0730 8.2015 8.2015 8.6327 8.6327 8.8548 8.8548 9.0682 9.0682 9.1315 9.1315 9.3319 9.3319 9.5791 9.5791 9.8048 9.8048 k =-0.4366 0.3607-0.0000 ( 6441 PWs) bands (ev): 4.4089 4.4089 4.9338 4.9338 5.4745 5.4745 6.0176 6.0176 6.1436 6.1436 6.2003 6.2003 6.4774 6.4774 6.6230 6.6230 6.9117 6.9117 7.2094 7.2094 7.2566 7.2566 7.5150 7.5150 7.5509 7.5509 7.8074 7.8074 7.8852 7.8852 8.0866 8.0866 8.1787 8.1787 8.6373 8.6373 8.8414 8.8414 9.0344 9.0344 9.0732 9.0732 9.3285 9.3285 9.5874 9.5874 9.7867 9.7867 k =-0.4314 0.3781-0.0000 ( 6443 PWs) bands (ev): 4.4454 4.4454 4.9706 4.9706 5.5082 5.5082 6.0588 6.0588 6.1774 6.1774 6.2331 6.2331 6.5046 6.5046 6.6478 6.6478 6.9008 6.9008 7.2137 7.2137 7.2406 7.2406 7.5266 7.5266 7.5442 7.5442 7.8194 7.8194 7.8886 7.8886 8.1003 8.1003 8.1571 8.1571 8.6437 8.6437 8.8280 8.8280 8.9992 8.9992 9.0145 9.0145 9.3230 9.3230 9.5935 9.5935 9.7671 9.7671 k =-0.4261 0.3955-0.0000 ( 6449 PWs) bands (ev): 4.4842 4.4842 5.0094 5.0094 5.5441 5.5441 6.1017 6.1017 6.2122 6.2122 6.2674 6.2674 6.5295 6.5295 6.6731 6.6731 6.8922 6.8922 7.2182 7.2182 7.2277 7.2277 7.5315 7.5315 7.5432 7.5432 7.8303 7.8303 7.8923 7.8923 8.1115 8.1115 8.1398 8.1398 8.6519 8.6519 8.8148 8.8148 8.9491 8.9491 8.9698 8.9698 9.3159 9.3159 9.5943 9.5943 9.7458 9.7458 k =-0.4208 0.4130-0.0000 ( 6449 PWs) bands (ev): 4.5251 4.5251 5.0498 5.0498 5.5821 5.5821 6.1458 6.1458 6.2478 6.2478 6.3027 6.3027 6.5509 6.5509 6.6985 6.6985 6.8871 6.8871 7.2156 7.2156 7.2256 7.2256 7.5249 7.5249 7.5526 7.5526 7.8402 7.8402 7.8963 7.8963 8.1070 8.1070 8.1410 8.1410 8.6618 8.6618 8.8022 8.8022 8.8880 8.8880 8.9361 8.9361 9.3072 9.3072 9.5864 9.5864 9.7230 9.7230 k =-0.4155 0.4304-0.0000 ( 6457 PWs) bands (ev): 4.5680 4.5680 5.0917 5.0917 5.6221 5.6221 6.1905 6.1905 6.2838 6.2838 6.3388 6.3388 6.5671 6.5671 6.7236 6.7236 6.8863 6.8863 7.2092 7.2092 7.2315 7.2315 7.5162 7.5162 7.5625 7.5625 7.8491 7.8491 7.9009 7.9009 8.0918 8.0918 8.1562 8.1562 8.6732 8.6732 8.7903 8.7903 8.8265 8.8265 8.9040 8.9040 9.2971 9.2971 9.5683 9.5683 9.6988 9.6988 k =-0.4102 0.4479-0.0000 ( 6463 PWs) bands (ev): 4.6127 4.6127 5.1348 5.1348 5.6638 5.6638 6.2351 6.2351 6.3198 6.3198 6.3753 6.3753 6.5772 6.5772 6.7481 6.7481 6.8906 6.8906 7.2066 7.2066 7.2382 7.2382 7.5064 7.5064 7.5714 7.5714 7.8575 7.8575 7.9063 7.9063 8.0774 8.0774 8.1751 8.1751 8.6840 8.6840 8.7654 8.7654 8.7818 8.7818 8.8733 8.8733 9.2848 9.2848 9.5415 9.5415 9.6730 9.6730 k =-0.4049 0.4653-0.0000 ( 6463 PWs) bands (ev): 4.6590 4.6590 5.1789 5.1789 5.7072 5.7072 6.2788 6.2788 6.3554 6.3554 6.4120 6.4120 6.5806 6.5806 6.7718 6.7718 6.9000 6.9000 7.2085 7.2085 7.2456 7.2456 7.4957 7.4957 7.5788 7.5788 7.8656 7.8656 7.9127 7.9127 8.0657 8.0657 8.1963 8.1963 8.6765 8.6765 8.7275 8.7275 8.7726 8.7726 8.8440 8.8440 9.2689 9.2689 9.5104 9.5104 9.6455 9.6455 k =-0.3997 0.4827-0.0000 ( 6465 PWs) bands (ev): 4.7067 4.7067 5.2236 5.2236 5.7521 5.7521 6.3208 6.3208 6.3902 6.3902 6.4485 6.4485 6.5778 6.5778 6.7947 6.7947 6.9135 6.9135 7.2151 7.2151 7.2535 7.2535 7.4838 7.4838 7.5844 7.5844 7.8736 7.8736 7.9206 7.9206 8.0575 8.0575 8.2198 8.2198 8.6265 8.6265 8.7338 8.7338 8.7663 8.7663 8.8164 8.8164 9.2476 9.2476 9.4806 9.4806 9.6161 9.6161 k =-0.3944 0.5002-0.0000 ( 6461 PWs) bands (ev): 4.7556 4.7556 5.2687 5.2687 5.7981 5.7981 6.3598 6.3598 6.4238 6.4238 6.4844 6.4844 6.5699 6.5699 6.8172 6.8172 6.9298 6.9298 7.2267 7.2267 7.2620 7.2620 7.4707 7.4707 7.5880 7.5880 7.8822 7.8822 7.9303 7.9303 8.0532 8.0532 8.2451 8.2451 8.5679 8.5679 8.7519 8.7519 8.7625 8.7625 8.7909 8.7909 9.2188 9.2188 9.4569 9.4569 9.5846 9.5846 k =-0.3891 0.5176-0.0000 ( 6485 PWs) bands (ev): 4.8057 4.8057 5.3140 5.3140 5.8452 5.8452 6.3947 6.3947 6.4559 6.4559 6.5194 6.5194 6.5581 6.5581 6.8401 6.8401 6.9472 6.9472 7.2428 7.2428 7.2712 7.2712 7.4561 7.4561 7.5895 7.5895 7.8915 7.8915 7.9420 7.9420 8.0530 8.0530 8.2712 8.2712 8.5108 8.5108 8.7580 8.7580 8.7680 8.7680 8.7762 8.7762 9.1818 9.1818 9.4418 9.4418 9.5510 9.5510 k =-0.3838 0.5350-0.0000 ( 6483 PWs) bands (ev): 4.8565 4.8565 5.3592 5.3592 5.8929 5.8929 6.4245 6.4245 6.4862 6.4862 6.5426 6.5426 6.5540 6.5540 6.8643 6.8643 6.9646 6.9646 7.2627 7.2627 7.2815 7.2815 7.4401 7.4401 7.5886 7.5886 7.9021 7.9021 7.9561 7.9561 8.0572 8.0572 8.2939 8.2939 8.4606 8.4606 8.7401 8.7401 8.7678 8.7678 8.7982 8.7982 9.1378 9.1378 9.4356 9.4356 9.5155 9.5155 k =-0.3785 0.5525-0.0000 ( 6479 PWs) bands (ev): 4.9081 4.9081 5.4040 5.4040 5.9411 5.9411 6.4483 6.4483 6.5136 6.5136 6.5274 6.5274 6.5859 6.5859 6.8905 6.8905 6.9810 6.9810 7.2844 7.2844 7.2944 7.2944 7.4225 7.4225 7.5854 7.5854 7.9146 7.9146 7.9727 7.9727 8.0657 8.0657 8.3000 8.3000 8.4308 8.4308 8.7195 8.7195 8.7737 8.7737 8.8237 8.8237 9.0891 9.0891 9.4365 9.4365 9.4787 9.4787 k =-0.3733 0.5699-0.0000 ( 6483 PWs) bands (ev): 4.9600 4.9600 5.4483 5.4483 5.9892 5.9892 6.4653 6.4653 6.5074 6.5074 6.5420 6.5420 6.6166 6.6166 6.9193 6.9193 6.9958 6.9958 7.3011 7.3011 7.3158 7.3158 7.4036 7.4036 7.5800 7.5800 7.9292 7.9292 7.9919 7.9919 8.0783 8.0783 8.2739 8.2739 8.4370 8.4370 8.6999 8.6999 8.7836 8.7836 8.8510 8.8510 9.0376 9.0376 9.4342 9.4342 9.4496 9.4496 k =-0.3680 0.5873-0.0000 ( 6491 PWs) bands (ev): 5.0122 5.0122 5.4916 5.4916 6.0369 6.0369 6.4741 6.4741 6.4908 6.4908 6.5658 6.5658 6.6456 6.6456 6.9504 6.9504 7.0087 7.0087 7.3151 7.3151 7.3428 7.3428 7.3838 7.3838 7.5725 7.5725 7.9466 7.9466 8.0136 8.0136 8.0946 8.0946 8.2280 8.2280 8.4666 8.4666 8.6815 8.6815 8.7970 8.7970 8.8796 8.8796 8.9852 8.9852 9.3975 9.3975 9.4587 9.4587 k =-0.3627 0.6048-0.0000 ( 6499 PWs) bands (ev): 5.0645 5.0645 5.5340 5.5340 6.0838 6.0838 6.4643 6.4643 6.4861 6.4861 6.5876 6.5876 6.6729 6.6729 6.9829 6.9829 7.0201 7.0201 7.3295 7.3295 7.3597 7.3597 7.3753 7.3753 7.5632 7.5632 7.9670 7.9670 8.0373 8.0373 8.1134 8.1134 8.1773 8.1773 8.5047 8.5047 8.6644 8.6644 8.8137 8.8137 8.9058 8.9058 8.9369 8.9369 9.3571 9.3571 9.4748 9.4748 k =-0.3574 0.6222-0.0000 ( 6495 PWs) bands (ev): 5.1165 5.1165 5.5750 5.5750 6.1293 6.1293 6.4451 6.4451 6.4856 6.4856 6.6072 6.6072 6.6987 6.6987 7.0132 7.0132 7.0328 7.0328 7.3333 7.3333 7.3519 7.3519 7.4036 7.4036 7.5523 7.5523 7.9903 7.9903 8.0622 8.0622 8.1172 8.1172 8.1446 8.1446 8.5456 8.5456 8.6484 8.6484 8.8332 8.8332 8.8757 8.8757 8.9474 8.9474 9.3164 9.3164 9.4933 9.4935 k =-0.3521 0.6397-0.0000 ( 6491 PWs) bands (ev): 5.1682 5.1682 5.6147 5.6147 6.1729 6.1729 6.4248 6.4248 6.4819 6.4819 6.6247 6.6247 6.7232 6.7232 7.0291 7.0291 7.0581 7.0581 7.3126 7.3126 7.3679 7.3679 7.4343 7.4343 7.5405 7.5405 8.0144 8.0144 8.0656 8.0656 8.0961 8.0961 8.1650 8.1650 8.5862 8.5862 8.6336 8.6336 8.8236 8.8236 8.8571 8.8571 8.9808 8.9808 9.2763 9.2763 9.4708 9.4708 k =-0.3469 0.6571-0.0000 ( 6477 PWs) bands (ev): 5.2194 5.2194 5.6528 5.6528 6.2142 6.2142 6.4043 6.4043 6.4752 6.4752 6.6403 6.6403 6.7465 6.7465 7.0356 7.0356 7.0900 7.0900 7.2890 7.2890 7.3874 7.3874 7.4658 7.4658 7.5285 7.5285 8.0050 8.0050 8.0574 8.0574 8.1214 8.1214 8.1909 8.1909 8.6171 8.6171 8.6271 8.6271 8.7744 8.7744 8.8810 8.8810 9.0167 9.0167 9.2378 9.2378 9.4428 9.4428 k =-0.3416 0.6745-0.0000 ( 6475 PWs) bands (ev): 5.2698 5.2698 5.6891 5.6891 6.2529 6.2529 6.3838 6.3838 6.4661 6.4661 6.6540 6.6540 6.7687 6.7687 7.0394 7.0394 7.1212 7.1212 7.2649 7.2649 7.4076 7.4076 7.4973 7.4973 7.5187 7.5187 7.9586 7.9586 8.0876 8.0876 8.1497 8.1497 8.2179 8.2179 8.6053 8.6053 8.6599 8.6599 8.7267 8.7267 8.9066 8.9066 9.0538 9.0538 9.2024 9.2024 9.4211 9.4211 k =-0.3363 0.6920-0.0000 ( 6475 PWs) bands (ev): 5.3193 5.3193 5.7236 5.7236 6.2886 6.2886 6.3637 6.3637 6.4551 6.4551 6.6662 6.6662 6.7899 6.7899 7.0419 7.0419 7.1497 7.1497 7.2408 7.2408 7.4259 7.4259 7.5075 7.5075 7.5355 7.5355 7.9105 7.9105 8.1228 8.1228 8.1781 8.1781 8.2448 8.2448 8.5922 8.5922 8.6790 8.6790 8.6914 8.6914 8.9323 8.9323 9.0896 9.0896 9.1727 9.1727 9.4076 9.4076 k =-0.3310 0.7094-0.0000 ( 6483 PWs) bands (ev): 5.3677 5.3677 5.7561 5.7561 6.3210 6.3210 6.3443 6.3443 6.4429 6.4429 6.6769 6.6769 6.8096 6.8096 7.0434 7.0434 7.1744 7.1744 7.2178 7.2178 7.4362 7.4362 7.5112 7.5112 7.5706 7.5706 7.8636 7.8636 8.1597 8.1597 8.2059 8.2059 8.2704 8.2704 8.5787 8.5787 8.6400 8.6400 8.7118 8.7118 8.9562 8.9562 9.1151 9.1151 9.1579 9.1579 9.4046 9.4046 k =-0.3257 0.7268-0.0000 ( 6479 PWs) bands (ev): 5.4149 5.4149 5.7865 5.7865 6.3240 6.3240 6.3516 6.3516 6.4298 6.4298 6.6864 6.6864 6.8274 6.8274 7.0444 7.0444 7.1849 7.1849 7.2060 7.2060 7.4344 7.4344 7.5290 7.5290 7.6082 7.6082 7.8185 7.8185 8.1963 8.1963 8.2326 8.2326 8.2938 8.2938 8.5632 8.5632 8.6063 8.6063 8.7265 8.7265 8.9757 8.9757 9.1147 9.1147 9.1741 9.1741 9.4144 9.4144 k =-0.3205 0.7443-0.0000 ( 6491 PWs) bands (ev): 5.4607 5.4607 5.8149 5.8149 6.3055 6.3055 6.3778 6.3778 6.4170 6.4170 6.6950 6.6950 6.8424 6.8424 7.0451 7.0451 7.1662 7.1662 7.2208 7.2208 7.4251 7.4251 7.5573 7.5573 7.6473 7.6473 7.7754 7.7754 8.2302 8.2302 8.2577 8.2577 8.3137 8.3137 8.5440 8.5440 8.5830 8.5830 8.7337 8.7337 8.9879 8.9879 9.1125 9.1125 9.1983 9.1983 9.4382 9.4382 k =-0.3152 0.7617-0.0000 ( 6497 PWs) bands (ev): 5.5050 5.5050 5.8410 5.8410 6.2874 6.2874 6.3934 6.3934 6.4124 6.4124 6.7027 6.7027 6.8537 6.8537 7.0458 7.0458 7.1443 7.1443 7.2366 7.2366 7.4131 7.4131 7.5917 7.5917 7.6870 7.6870 7.7350 7.7350 8.2579 8.2579 8.2810 8.2810 8.3290 8.3290 8.5258 8.5258 8.5686 8.5686 8.7338 8.7338 8.9930 8.9930 9.1191 9.1191 9.2193 9.2193 9.4747 9.4747 k =-0.3099 0.7792-0.0000 ( 6501 PWs) bands (ev): 5.5477 5.5477 5.8650 5.8650 6.2699 6.2699 6.3842 6.3842 6.4311 6.4311 6.7098 6.7098 6.8604 6.8604 7.0467 7.0467 7.1228 7.1228 7.2502 7.2502 7.4004 7.4004 7.6304 7.6304 7.6939 7.6939 7.7301 7.7301 8.2749 8.2749 8.3022 8.3022 8.3390 8.3390 8.5174 8.5174 8.5589 8.5589 8.7276 8.7276 8.9953 8.9953 9.1309 9.1309 9.2372 9.2372 9.5207 9.5207 k =-0.3046 0.7966-0.0000 ( 6505 PWs) bands (ev): 5.5887 5.5887 5.8868 5.8868 6.2532 6.2532 6.3710 6.3710 6.4528 6.4528 6.7164 6.7164 6.8617 6.8617 7.0481 7.0481 7.1023 7.1023 7.2618 7.2618 7.3880 7.3880 7.6576 7.6576 7.6732 7.6732 7.7697 7.7697 8.2781 8.2781 8.3210 8.3210 8.3431 8.3431 8.5230 8.5230 8.5528 8.5528 8.7159 8.7159 8.9990 8.9990 9.1424 9.1424 9.2532 9.2532 9.5725 9.5725 k =-0.2993 0.8140-0.0000 ( 6493 PWs) bands (ev): 5.6278 5.6278 5.9064 5.9064 6.2373 6.2373 6.3579 6.3579 6.4741 6.4741 6.7228 6.7228 6.8570 6.8570 7.0501 7.0501 7.0830 7.0830 7.2717 7.2717 7.3764 7.3764 7.6239 7.6239 7.7182 7.7182 7.8086 7.8086 8.2689 8.2689 8.3375 8.3375 8.3418 8.3418 8.5339 8.5339 8.5573 8.5573 8.7000 8.7000 9.0060 9.0060 9.1496 9.1496 9.2686 9.2686 9.6103 9.6103 k =-0.2941 0.8315-0.0000 ( 6497 PWs) bands (ev): 5.6649 5.6649 5.9239 5.9239 6.2223 6.2223 6.3454 6.3454 6.4948 6.4948 6.7289 6.7289 6.8459 6.8459 7.0523 7.0523 7.0655 7.0655 7.2800 7.2800 7.3660 7.3660 7.5922 7.5922 7.7658 7.7658 7.8452 7.8452 8.2522 8.2522 8.3361 8.3361 8.3516 8.3516 8.5334 8.5334 8.5841 8.5841 8.6805 8.6805 9.0154 9.0154 9.1509 9.1509 9.2840 9.2840 9.6027 9.6027 k =-0.2888 0.8489-0.0000 ( 6513 PWs) bands (ev): 5.6999 5.6999 5.9393 5.9393 6.2080 6.2080 6.3339 6.3339 6.5148 6.5148 6.7349 6.7349 6.8289 6.8289 7.0456 7.0456 7.0591 7.0591 7.2871 7.2871 7.3569 7.3569 7.5628 7.5628 7.8151 7.8151 7.8779 7.8779 8.2327 8.2327 8.3266 8.3266 8.3637 8.3637 8.5300 8.5300 8.6205 8.6205 8.6585 8.6585 9.0237 9.0237 9.1493 9.1493 9.2997 9.2997 9.6041 9.6041 k =-0.2835 0.8663-0.0000 ( 6503 PWs) bands (ev): 5.7326 5.7326 5.9525 5.9525 6.1947 6.1947 6.3237 6.3237 6.5338 6.5338 6.7408 6.7408 6.8066 6.8066 7.0308 7.0308 7.0636 7.0636 7.2931 7.2931 7.3493 7.3493 7.5359 7.5359 7.8649 7.8649 7.9057 7.9057 8.2137 8.2137 8.3145 8.3145 8.3741 8.3741 8.5268 8.5268 8.6332 8.6332 8.6623 8.6623 9.0238 9.0238 9.1524 9.1524 9.3157 9.3157 9.6146 9.6146 k =-0.2782 0.8838-0.0000 ( 6511 PWs) bands (ev): 5.7628 5.7628 5.9635 5.9635 6.1823 6.1823 6.3152 6.3152 6.5507 6.5507 6.7456 6.7456 6.7816 6.7816 7.0167 7.0167 7.0699 7.0699 7.2981 7.2981 7.3434 7.3434 7.5115 7.5115 7.9117 7.9117 7.9297 7.9297 8.1972 8.1972 8.3009 8.3009 8.3830 8.3830 8.5241 8.5241 8.6073 8.6073 8.7052 8.7052 9.0101 9.0101 9.1675 9.1675 9.3317 9.3317 9.6311 9.6312 k =-0.2729 0.9012-0.0000 ( 6497 PWs) bands (ev): 5.7903 5.7903 5.9720 5.9720 6.1709 6.1709 6.3087 6.3087 6.5632 6.5632 6.7417 6.7417 6.7648 6.7648 7.0038 7.0038 7.0778 7.0778 7.3022 7.3022 7.3392 7.3392 7.4897 7.4897 7.9348 7.9348 7.9686 7.9686 8.1844 8.1844 8.2868 8.2868 8.3908 8.3908 8.5222 8.5222 8.5796 8.5796 8.7499 8.7499 8.9846 8.9846 9.1945 9.1945 9.3476 9.3476 9.6346 9.6347 k =-0.2729 0.9012-0.0000 ( 6497 PWs) bands (ev): 5.7903 5.7903 5.9720 5.9720 6.1709 6.1709 6.3087 6.3087 6.5632 6.5632 6.7417 6.7417 6.7648 6.7648 7.0038 7.0038 7.0778 7.0778 7.3022 7.3022 7.3392 7.3392 7.4897 7.4897 7.9348 7.9348 7.9686 7.9686 8.1844 8.1844 8.2868 8.2868 8.3908 8.3908 8.5222 8.5222 8.5796 8.5796 8.7499 8.7499 8.9846 8.9846 9.1945 9.1945 9.3476 9.3476 9.6346 9.6347 k =-0.2729 0.9012 0.0180 ( 6505 PWs) bands (ev): 5.7912 5.7912 5.9730 5.9730 6.1704 6.1704 6.3096 6.3096 6.5587 6.5587 6.7252 6.7252 6.7800 6.7800 7.0083 7.0083 7.0732 7.0732 7.3075 7.3075 7.3409 7.3409 7.4887 7.4887 7.9340 7.9340 7.9654 7.9654 8.1842 8.1842 8.2813 8.2813 8.4007 8.4007 8.5216 8.5216 8.5792 8.5792 8.7511 8.7511 8.9834 8.9834 9.1952 9.1952 9.3377 9.3377 9.6391 9.6397 k =-0.2729 0.9012 0.0361 ( 6488 PWs) bands (ev): 5.7941 5.7941 5.9762 5.9762 6.1692 6.1692 6.3122 6.3122 6.5457 6.5457 6.7000 6.7000 6.8010 6.8010 7.0212 7.0212 7.0611 7.0611 7.3210 7.3210 7.3464 7.3464 7.4864 7.4864 7.9314 7.9314 7.9563 7.9563 8.1835 8.1835 8.2698 8.2698 8.4248 8.4248 8.5201 8.5201 8.5781 8.5781 8.7546 8.7546 8.9799 8.9799 9.1975 9.1975 9.3111 9.3111 9.6423 9.6423 k =-0.2729 0.9012 0.0541 ( 6477 PWs) bands (ev): 5.7989 5.7989 5.9813 5.9813 6.1674 6.1674 6.3162 6.3162 6.5256 6.5256 6.6734 6.6734 6.8206 6.8206 7.0362 7.0362 7.0493 7.0493 7.3362 7.3362 7.3574 7.3574 7.4844 7.4844 7.9259 7.9259 7.9429 7.9429 8.1824 8.1824 8.2591 8.2591 8.4548 8.4548 8.5190 8.5190 8.5764 8.5764 8.7603 8.7603 8.9742 8.9742 9.2008 9.2008 9.2739 9.2739 9.6383 9.6383 k =-0.2729 0.9012 0.0721 ( 6485 PWs) bands (ev): 5.8056 5.8056 5.9884 5.9884 6.1653 6.1653 6.3213 6.3213 6.5004 6.5004 6.6465 6.6465 6.8376 6.8376 7.0229 7.0229 7.0690 7.0690 7.3484 7.3484 7.3721 7.3721 7.4866 7.4866 7.9129 7.9129 7.9305 7.9305 8.1807 8.1807 8.2521 8.2521 8.4815 8.4815 8.5234 8.5234 8.5745 8.5745 8.7679 8.7679 8.9662 8.9662 9.2034 9.2034 9.2325 9.2325 9.6316 9.6316 k =-0.2729 0.9012 0.0902 ( 6491 PWs) bands (ev): 5.8141 5.8141 5.9973 5.9973 6.1631 6.1631 6.3270 6.3270 6.4716 6.4716 6.6197 6.6197 6.8517 6.8517 7.0043 7.0043 7.0972 7.0972 7.3584 7.3584 7.3828 7.3828 7.4984 7.4984 7.8912 7.8912 7.9221 7.9221 8.1786 8.1786 8.2494 8.2494 8.4907 8.4907 8.5451 8.5451 8.5737 8.5737 8.7771 8.7771 8.9562 8.9562 9.1782 9.1782 9.2165 9.2165 9.6242 9.6242 k =-0.2729 0.9012 0.1082 ( 6495 PWs) bands (ev): 5.8243 5.8243 6.0079 6.0079 6.1613 6.1613 6.3329 6.3329 6.4405 6.4405 6.5933 6.5933 6.8626 6.8626 6.9865 6.9865 7.1274 7.1274 7.3626 7.3626 7.3904 7.3904 7.5215 7.5215 7.8657 7.8657 7.9139 7.9139 8.1762 8.1762 8.2508 8.2508 8.4882 8.4882 8.5645 8.5645 8.5869 8.5869 8.7875 8.7875 8.9445 8.9445 9.1309 9.1309 9.2219 9.2219 9.6174 9.6174 k =-0.2729 0.9012 0.1262 ( 6505 PWs) bands (ev): 5.8363 5.8363 6.0199 6.0199 6.1598 6.1598 6.3387 6.3387 6.4081 6.4081 6.5676 6.5676 6.8703 6.8703 6.9702 6.9702 7.1580 7.1580 7.3557 7.3557 7.4033 7.4033 7.5521 7.5521 7.8393 7.8393 7.9047 7.9047 8.1735 8.1735 8.2554 8.2554 8.4827 8.4827 8.5654 8.5654 8.6211 8.6211 8.7989 8.7989 8.9317 8.9317 9.0820 9.0820 9.2293 9.2293 9.6119 9.6119 k =-0.2729 0.9012 0.1443 ( 6499 PWs) bands (ev): 5.8499 5.8499 6.0332 6.0332 6.1590 6.1590 6.3437 6.3437 6.3756 6.3756 6.5429 6.5429 6.8751 6.8751 6.9558 6.9558 7.1876 7.1876 7.3419 7.3419 7.4210 7.4210 7.5857 7.5857 7.8137 7.8137 7.8946 7.8946 8.1708 8.1708 8.2626 8.2626 8.4767 8.4767 8.5650 8.5650 8.6562 8.6562 8.8108 8.8108 8.9185 8.9185 9.0332 9.0332 9.2377 9.2377 9.6082 9.6082 k =-0.2729 0.9012 0.1623 ( 6497 PWs) bands (ev): 5.8650 5.8650 6.0473 6.0473 6.1588 6.1588 6.3382 6.3382 6.3529 6.3529 6.5193 6.5193 6.8772 6.8772 6.9431 6.9431 7.2150 7.2150 7.3256 7.3256 7.4417 7.4417 7.6195 7.6195 7.7903 7.7903 7.8833 7.8833 8.1685 8.1685 8.2713 8.2713 8.4712 8.4712 8.5651 8.5651 8.6881 8.6881 8.8227 8.8227 8.9065 8.9065 8.9856 8.9856 9.2468 9.2468 9.6066 9.6066 k =-0.2729 0.9012 0.1803 ( 6493 PWs) bands (ev): 5.8817 5.8817 6.0620 6.0620 6.1592 6.1592 6.3073 6.3073 6.3552 6.3552 6.4971 6.4971 6.8772 6.8772 6.9320 6.9320 7.2391 7.2391 7.3092 7.3092 7.4643 7.4643 7.6510 7.6510 7.7704 7.7704 7.8711 7.8711 8.1672 8.1672 8.2803 8.2803 8.4675 8.4675 8.5663 8.5663 8.7138 8.7138 8.8331 8.8331 8.8976 8.8976 8.9408 8.9408 9.2571 9.2571 9.6072 9.6072 k =-0.2729 0.9012 0.1984 ( 6488 PWs) bands (ev): 5.8997 5.8997 6.0768 6.0768 6.1602 6.1602 6.2752 6.2752 6.3587 6.3587 6.4765 6.4765 6.8756 6.8756 6.9221 6.9221 7.2585 7.2585 7.2943 7.2943 7.4883 7.4883 7.6784 7.6784 7.7551 7.7551 7.8584 7.8584 8.1675 8.1675 8.2882 8.2882 8.4666 8.4666 8.5689 8.5689 8.7296 8.7296 8.8377 8.8377 8.8926 8.8926 8.9055 8.9055 9.2688 9.2688 9.6100 9.6100 k =-0.2729 0.9012 0.2164 ( 6488 PWs) bands (ev): 5.9190 5.9190 6.0911 6.0911 6.1617 6.1617 6.2438 6.2438 6.3619 6.3619 6.4575 6.4575 6.8731 6.8731 6.9130 6.9130 7.2705 7.2705 7.2841 7.2841 7.5132 7.5132 7.6996 7.6996 7.7453 7.7453 7.8458 7.8458 8.1702 8.1702 8.2934 8.2934 8.4699 8.4699 8.5730 8.5730 8.7335 8.7335 8.8217 8.8217 8.8851 8.8851 8.9024 8.9024 9.2827 9.2827 9.6146 9.6146 k =-0.2729 0.9012 0.2344 ( 6492 PWs) bands (ev): 5.9395 5.9395 6.1040 6.1040 6.1633 6.1633 6.2139 6.2139 6.3647 6.3647 6.4405 6.4405 6.8703 6.8703 6.9045 6.9045 7.2680 7.2680 7.2860 7.2860 7.5387 7.5387 7.7128 7.7128 7.7415 7.7415 7.8338 7.8338 8.1758 8.1758 8.2947 8.2947 8.4786 8.4786 8.5788 8.5788 8.7268 8.7268 8.7865 8.7865 8.8914 8.8914 8.9115 8.9115 9.2996 9.2996 9.6184 9.6184 k =-0.2729 0.9012 0.2525 ( 6489 PWs) bands (ev): 5.9612 5.9612 6.1138 6.1138 6.1647 6.1647 6.1867 6.1867 6.3672 6.3672 6.4256 6.4256 6.8678 6.8678 6.8964 6.8964 7.2627 7.2627 7.2889 7.2889 7.5643 7.5643 7.7170 7.7170 7.7431 7.7431 7.8233 7.8233 8.1846 8.1846 8.2915 8.2915 8.4930 8.4930 8.5865 8.5865 8.7132 8.7132 8.7475 8.7475 8.9025 8.9025 8.9225 8.9225 9.3202 9.3202 9.5977 9.5977 k =-0.2729 0.9012 0.2705 ( 6491 PWs) bands (ev): 5.9839 5.9839 6.1161 6.1161 6.1640 6.1640 6.1682 6.1682 6.3698 6.3698 6.4129 6.4129 6.8662 6.8662 6.8888 6.8888 7.2604 7.2604 7.2880 7.2880 7.5898 7.5898 7.7124 7.7124 7.7492 7.7492 7.8139 7.8139 8.1965 8.1965 8.2840 8.2840 8.5127 8.5127 8.5959 8.5959 8.6954 8.6954 8.7096 8.7096 8.9136 8.9136 8.9321 8.9321 9.3450 9.3450 9.5596 9.5596 k =-0.2729 0.9012 0.2885 ( 6493 PWs) bands (ev): 6.0075 6.0075 6.1039 6.1039 6.1588 6.1588 6.1669 6.1669 6.3724 6.3724 6.4026 6.4026 6.8658 6.8658 6.8820 6.8820 7.2614 7.2614 7.2838 7.2838 7.6147 7.6147 7.7007 7.7007 7.7586 7.7586 7.8046 7.8046 8.2109 8.2109 8.2729 8.2729 8.5369 8.5369 8.6066 8.6066 8.6687 8.6687 8.6816 8.6816 8.9234 8.9234 8.9384 8.9384 9.3739 9.3739 9.5200 9.5200 k =-0.2729 0.9012 0.3066 ( 6503 PWs) bands (ev): 6.0318 6.0318 6.0818 6.0818 6.1607 6.1607 6.1660 6.1660 6.3751 6.3751 6.3952 6.3952 6.8667 6.8667 6.8764 6.8764 7.2651 7.2651 7.2779 7.2779 7.6381 7.6381 7.6844 7.6844 7.7697 7.7697 7.7946 7.7946 8.2266 8.2266 8.2593 8.2593 8.5644 8.5644 8.6144 8.6144 8.6389 8.6389 8.6640 8.6640 8.9306 8.9306 8.9412 8.9412 9.4066 9.4066 9.4806 9.4806 k =-0.2729 0.9012 0.3246 ( 6508 PWs) bands (ev): 6.0539 6.0539 6.0600 6.0600 6.1634 6.1634 6.1642 6.1642 6.3765 6.3765 6.3922 6.3922 6.8678 6.8678 6.8737 6.8737 7.2691 7.2691 7.2731 7.2731 7.6541 7.6541 7.6707 7.6707 7.7783 7.7783 7.7865 7.7865 8.2397 8.2397 8.2469 8.2469 8.5888 8.5888 8.6002 8.6002 8.6336 8.6336 8.6549 8.6549 8.9336 8.9336 8.9416 8.9416 9.4412 9.4412 9.4438 9.4438 k =-0.2729 0.9012 0.3246 ( 6508 PWs) bands (ev): 6.0539 6.0539 6.0600 6.0600 6.1634 6.1634 6.1642 6.1642 6.3765 6.3765 6.3922 6.3922 6.8678 6.8678 6.8737 6.8737 7.2691 7.2691 7.2731 7.2731 7.6541 7.6541 7.6707 7.6707 7.7783 7.7783 7.7865 7.7865 8.2397 8.2397 8.2469 8.2469 8.5888 8.5888 8.6002 8.6002 8.6336 8.6336 8.6549 8.6549 8.9336 8.9336 8.9416 8.9416 9.4412 9.4412 9.4438 9.4438 k =-0.2782 0.8838 0.3246 ( 6514 PWs) bands (ev): 6.0358 6.0358 6.0438 6.0438 6.1461 6.1461 6.1476 6.1476 6.4087 6.4087 6.4224 6.4224 6.8618 6.8618 6.8687 6.8687 7.2700 7.2700 7.2738 7.2738 7.6623 7.6623 7.6803 7.6803 7.7779 7.7779 7.7857 7.7857 8.2364 8.2364 8.2408 8.2408 8.5921 8.5921 8.6055 8.6055 8.6361 8.6361 8.6601 8.6601 8.8989 8.8989 8.9070 8.9070 9.4252 9.4252 9.4295 9.4295 k =-0.2835 0.8663 0.3246 ( 6506 PWs) bands (ev): 6.0153 6.0153 6.0247 6.0247 6.1281 6.1281 6.1302 6.1302 6.4430 6.4430 6.4550 6.4550 6.8550 6.8550 6.8631 6.8631 7.2709 7.2709 7.2744 7.2744 7.6699 7.6699 7.6893 7.6893 7.7767 7.7767 7.7834 7.7834 8.2298 8.2298 8.2309 8.2309 8.5942 8.5942 8.6085 8.6085 8.6405 8.6405 8.6662 8.6662 8.8653 8.8653 8.8734 8.8734 9.4064 9.4064 9.4099 9.4099 k =-0.2888 0.8489 0.3246 ( 6502 PWs) bands (ev): 5.9919 5.9919 6.0021 6.0021 6.1114 6.1114 6.1140 6.1140 6.4776 6.4776 6.4882 6.4882 6.8473 6.8473 6.8566 6.8566 7.2715 7.2715 7.2750 7.2750 7.6762 7.6762 7.6971 7.6971 7.7745 7.7745 7.7796 7.7796 8.2188 8.2188 8.2215 8.2215 8.5938 8.5938 8.6063 8.6063 8.6494 8.6494 8.6745 8.6745 8.8329 8.8329 8.8405 8.8405 9.3855 9.3855 9.3861 9.3861 k =-0.2941 0.8315 0.3246 ( 6498 PWs) bands (ev): 5.9655 5.9655 5.9760 5.9760 6.0967 6.0967 6.0995 6.0995 6.5119 6.5119 6.5214 6.5214 6.8384 6.8384 6.8490 6.8490 7.2718 7.2718 7.2753 7.2753 7.6803 7.6803 7.7025 7.7025 7.7714 7.7714 7.7747 7.7747 8.2058 8.2058 8.2125 8.2125 8.5901 8.5901 8.5995 8.5995 8.6618 8.6618 8.6855 8.6855 8.8019 8.8019 8.8086 8.8086 9.3598 9.3598 9.3632 9.3632 k =-0.2993 0.8140 0.3246 ( 6498 PWs) bands (ev): 5.9363 5.9363 5.9468 5.9468 6.0840 6.0840 6.0867 6.0867 6.5455 6.5455 6.5539 6.5539 6.8281 6.8281 6.8400 6.8400 7.2715 7.2715 7.2752 7.2752 7.6810 7.6810 7.7037 7.7037 7.7682 7.7682 7.7702 7.7702 8.1930 8.1930 8.2040 8.2040 8.5832 8.5832 8.5895 8.5895 8.6749 8.6749 8.6985 8.6985 8.7738 8.7738 8.7785 8.7785 9.3324 9.3324 9.3404 9.3404 k =-0.3046 0.7966 0.3246 ( 6498 PWs) bands (ev): 5.9048 5.9048 5.9149 5.9149 6.0728 6.0728 6.0752 6.0752 6.5781 6.5781 6.5855 6.5855 6.8165 6.8165 6.8296 6.8296 7.2707 7.2707 7.2746 7.2746 7.6766 7.6766 7.6981 7.6981 7.7665 7.7665 7.7688 7.7688 8.1810 8.1810 8.1960 8.1960 8.5739 8.5739 8.5773 8.5773 8.6840 8.6840 8.7100 8.7100 8.7527 8.7527 8.7532 8.7532 9.3054 9.3054 9.3180 9.3180 k =-0.3099 0.7792 0.3246 ( 6502 PWs) bands (ev): 5.8713 5.8713 5.8808 5.8808 6.0624 6.0624 6.0646 6.0646 6.6096 6.6096 6.6161 6.6161 6.8032 6.8032 6.8175 6.8175 7.2691 7.2691 7.2732 7.2732 7.6659 7.6659 7.6847 7.6847 7.7675 7.7675 7.7717 7.7717 8.1695 8.1695 8.1882 8.1882 8.5628 8.5628 8.5636 8.5636 8.6814 8.6814 8.7066 8.7066 8.7467 8.7467 8.7468 8.7468 9.2798 9.2798 9.2968 9.2968 k =-0.3152 0.7617 0.3246 ( 6492 PWs) bands (ev): 5.8359 5.8359 5.8448 5.8448 6.0524 6.0524 6.0543 6.0543 6.6398 6.6398 6.6454 6.6454 6.7884 6.7884 6.8038 6.8038 7.2665 7.2665 7.2706 7.2706 7.6493 7.6493 7.6654 7.6654 7.7717 7.7717 7.7782 7.7782 8.1578 8.1578 8.1795 8.1795 8.5482 8.5482 8.5501 8.5501 8.6691 8.6691 8.6887 8.6887 8.7552 8.7552 8.7588 8.7588 9.2567 9.2567 9.2776 9.2776 k =-0.3205 0.7443 0.3246 ( 6498 PWs) bands (ev): 5.7989 5.7989 5.8072 5.8072 6.0424 6.0424 6.0440 6.0440 6.6685 6.6685 6.6732 6.6732 6.7720 6.7720 6.7882 6.7882 7.2626 7.2626 7.2665 7.2665 7.6281 7.6281 7.6423 7.6423 7.7785 7.7785 7.7869 7.7869 8.1447 8.1447 8.1688 8.1688 8.5306 8.5306 8.5355 8.5355 8.6579 8.6579 8.6733 8.6733 8.7687 8.7687 8.7741 8.7741 9.2368 9.2368 9.2614 9.2614 k =-0.3257 0.7268 0.3246 ( 6494 PWs) bands (ev): 5.7604 5.7604 5.7681 5.7681 6.0319 6.0319 6.0334 6.0334 6.6955 6.6955 6.6992 6.6992 6.7540 6.7540 6.7711 6.7711 7.2570 7.2570 7.2605 7.2605 7.6043 7.6043 7.6171 7.6171 7.7874 7.7874 7.7972 7.7972 8.1293 8.1293 8.1550 8.1550 8.5105 8.5105 8.5186 8.5186 8.6536 8.6536 8.6652 8.6652 8.7824 8.7824 8.7888 8.7888 9.2212 9.2212 9.2488 9.2488 k =-0.3310 0.7094 0.3246 ( 6486 PWs) bands (ev): 5.7206 5.7206 5.7277 5.7277 6.0206 6.0206 6.0219 6.0219 6.7203 6.7203 6.7222 6.7222 6.7349 6.7349 6.7534 6.7534 7.2493 7.2493 7.2521 7.2521 7.5792 7.5792 7.5914 7.5914 7.7979 7.7979 7.8088 7.8088 8.1106 8.1106 8.1372 8.1372 8.4890 8.4890 8.4998 8.4998 8.6579 8.6579 8.6660 8.6660 8.7945 8.7945 8.8015 8.8015 9.2106 9.2106 9.2406 9.2406 k =-0.3363 0.6920 0.3246 ( 6494 PWs) bands (ev): 5.6795 5.6795 5.6861 5.6861 6.0081 6.0081 6.0092 6.0092 6.7133 6.7133 6.7260 6.7260 6.7442 6.7442 6.7512 6.7512 7.2391 7.2391 7.2409 7.2409 7.5543 7.5543 7.5662 7.5662 7.8096 7.8096 7.8214 7.8214 8.0885 8.0885 8.1155 8.1155 8.4674 8.4674 8.4801 8.4801 8.6701 8.6701 8.6752 8.6752 8.8039 8.8039 8.8112 8.8112 9.2057 9.2057 9.2374 9.2374 k =-0.3416 0.6745 0.3246 ( 6486 PWs) bands (ev): 5.6374 5.6374 5.6435 5.6435 5.9941 5.9941 5.9951 5.9951 6.6915 6.6915 6.7059 6.7059 6.7648 6.7648 6.7692 6.7692 7.2261 7.2261 7.2267 7.2267 7.5304 7.5304 7.5422 7.5422 7.8222 7.8222 7.8348 7.8348 8.0633 8.0633 8.0903 8.0903 8.4474 8.4474 8.4614 8.4614 8.6891 8.6891 8.6915 8.6915 8.8103 8.8103 8.8176 8.8176 9.2069 9.2069 9.2395 9.2395 k =-0.3469 0.6571 0.3246 ( 6478 PWs) bands (ev): 5.5941 5.5941 5.5998 5.5998 5.9782 5.9782 5.9791 5.9791 6.6685 6.6685 6.6826 6.6826 6.7828 6.7828 6.7864 6.7864 7.2096 7.2096 7.2103 7.2103 7.5081 7.5081 7.5197 7.5197 7.8352 7.8352 7.8486 7.8486 8.0358 8.0358 8.0626 8.0626 8.4305 8.4305 8.4450 8.4450 8.7129 8.7129 8.7130 8.7130 8.8139 8.8139 8.8212 8.8212 9.2142 9.2142 9.2470 9.2470 k =-0.3521 0.6397 0.3246 ( 6474 PWs) bands (ev): 5.5500 5.5500 5.5553 5.5553 5.9601 5.9601 5.9609 5.9609 6.6446 6.6446 6.6579 6.6579 6.7978 6.7978 6.8011 6.8011 7.1901 7.1901 7.1921 7.1921 7.4876 7.4876 7.4987 7.4987 7.8476 7.8476 7.8620 7.8620 8.0078 8.0078 8.0340 8.0340 8.4174 8.4174 8.4320 8.4320 8.7371 8.7371 8.7395 8.7395 8.8159 8.8159 8.8234 8.8234 9.2272 9.2272 9.2595 9.2595 k =-0.3574 0.6222 0.3246 ( 6478 PWs) bands (ev): 5.5052 5.5052 5.5101 5.5101 5.9396 5.9396 5.9404 5.9404 6.6200 6.6200 6.6320 6.6320 6.8094 6.8094 6.8125 6.8125 7.1690 7.1690 7.1722 7.1722 7.4688 7.4688 7.4791 7.4791 7.8574 7.8574 7.8733 7.8733 7.9817 7.9817 8.0069 8.0069 8.4090 8.4090 8.4231 8.4231 8.7595 8.7595 8.7641 8.7641 8.8203 8.8203 8.8281 8.8281 9.2450 9.2450 9.2765 9.2765 k =-0.3627 0.6048 0.3246 ( 6490 PWs) bands (ev): 5.4597 5.4597 5.4643 5.4643 5.9165 5.9165 5.9173 5.9173 6.5946 6.5946 6.6053 6.6053 6.8170 6.8170 6.8202 6.8202 7.1474 7.1474 7.1514 7.1514 7.4514 7.4514 7.4603 7.4603 7.8608 7.8608 7.8787 7.8787 7.9622 7.9622 7.9859 7.9859 8.4057 8.4057 8.4191 8.4191 8.7728 8.7728 8.7774 8.7774 8.8361 8.8361 8.8423 8.8423 9.2668 9.2668 9.2971 9.2971 k =-0.3680 0.5873 0.3246 ( 6484 PWs) bands (ev): 5.4139 5.4139 5.4181 5.4181 5.8908 5.8908 5.8916 5.8916 6.5687 6.5687 6.5778 6.5778 6.8201 6.8201 6.8236 6.8236 7.1263 7.1263 7.1309 7.1309 7.4349 7.4349 7.4420 7.4420 7.8528 7.8528 7.8732 7.8732 7.9546 7.9546 7.9765 7.9765 8.4077 8.4077 8.4201 8.4201 8.7749 8.7749 8.7777 8.7777 8.8648 8.8648 8.8680 8.8680 9.2920 9.2920 9.3207 9.3207 k =-0.3733 0.5699 0.3246 ( 6488 PWs) bands (ev): 5.3678 5.3678 5.3718 5.3718 5.8623 5.8623 5.8632 5.8632 6.5422 6.5422 6.5497 6.5497 6.8182 6.8182 6.8222 6.8222 7.1069 7.1069 7.1118 7.1118 7.4191 7.4191 7.4241 7.4241 7.8344 7.8344 7.8563 7.8563 7.9584 7.9584 7.9796 7.9796 8.4151 8.4151 8.4264 8.4264 8.7710 8.7710 8.7724 8.7724 8.8987 8.8987 8.8997 8.8997 9.3197 9.3197 9.3466 9.3466 k =-0.3785 0.5525 0.3246 ( 6478 PWs) bands (ev): 5.3216 5.3216 5.3254 5.3254 5.8313 5.8313 5.8322 5.8322 6.5152 6.5152 6.5211 6.5211 6.8109 6.8109 6.8153 6.8153 7.0902 7.0902 7.0949 7.0949 7.4040 7.4040 7.4066 7.4066 7.8112 7.8112 7.8335 7.8335 7.9681 7.9681 7.9898 7.9898 8.4279 8.4279 8.4380 8.4380 8.7649 8.7649 8.7654 8.7654 8.9334 8.9334 8.9339 8.9339 9.3496 9.3496 9.3744 9.3744 k =-0.3838 0.5350 0.3246 ( 6478 PWs) bands (ev): 5.2756 5.2756 5.2791 5.2791 5.7979 5.7979 5.7989 5.7989 6.4876 6.4876 6.4920 6.4920 6.7979 6.7979 6.8029 6.8029 7.0765 7.0765 7.0810 7.0810 7.3898 7.3898 7.3899 7.3899 7.7869 7.7869 7.8091 7.8091 7.9799 7.9799 8.0028 8.0028 8.4457 8.4457 8.4547 8.4547 8.7579 8.7579 8.7584 8.7584 8.9669 8.9669 8.9686 8.9686 9.3813 9.3813 9.4038 9.4038 k =-0.3891 0.5176 0.3246 ( 6478 PWs) bands (ev): 5.2299 5.2299 5.2333 5.2333 5.7624 5.7624 5.7635 5.7635 6.4595 6.4595 6.4625 6.4625 6.7795 6.7795 6.7849 6.7849 7.0660 7.0660 7.0700 7.0700 7.3745 7.3745 7.3771 7.3771 7.7632 7.7632 7.7848 7.7848 7.9920 7.9920 8.0164 8.0164 8.4682 8.4682 8.4759 8.4759 8.7508 8.7508 8.7523 8.7523 8.9992 8.9992 9.0020 9.0020 9.4145 9.4145 9.4344 9.4344 k =-0.3944 0.5002 0.3246 ( 6478 PWs) bands (ev): 5.1848 5.1848 5.1880 5.1880 5.7251 5.7251 5.7263 5.7263 6.4310 6.4310 6.4327 6.4327 6.7561 6.7561 6.7618 6.7618 7.0582 7.0582 7.0618 7.0618 7.3611 7.3611 7.3665 7.3665 7.7407 7.7407 7.7616 7.7616 8.0033 8.0033 8.0295 8.0295 8.4948 8.4948 8.5013 8.5013 8.7446 8.7446 8.7473 8.7473 9.0294 9.0294 9.0331 9.0331 9.4491 9.4491 9.4663 9.4663 k =-0.3997 0.4827 0.3246 ( 6482 PWs) bands (ev): 5.1404 5.1404 5.1434 5.1434 5.6864 5.6864 5.6878 5.6878 6.4020 6.4020 6.4028 6.4028 6.7286 6.7286 6.7344 6.7344 7.0526 7.0526 7.0558 7.0558 7.3504 7.3504 7.3584 7.3584 7.7194 7.7194 7.7395 7.7395 8.0133 8.0133 8.0414 8.0414 8.5246 8.5246 8.5299 8.5299 8.7398 8.7398 8.7438 8.7438 9.0570 9.0570 9.0616 9.0616 9.4849 9.4849 9.4992 9.4992 k =-0.4049 0.4653 0.3246 ( 6478 PWs) bands (ev): 5.0969 5.0969 5.0998 5.0998 5.6468 5.6468 5.6483 5.6483 6.3728 6.3728 6.3729 6.3729 6.6978 6.6978 6.7035 6.7035 7.0486 7.0486 7.0513 7.0513 7.3430 7.3430 7.3535 7.3535 7.6994 7.6994 7.7185 7.7185 8.0218 8.0218 8.0518 8.0518 8.5568 8.5568 8.5610 8.5610 8.7368 8.7368 8.7422 8.7422 9.0818 9.0818 9.0873 9.0873 9.5218 9.5218 9.5329 9.5329 k =-0.4102 0.4479 0.3246 ( 6484 PWs) bands (ev): 5.0546 5.0546 5.0574 5.0574 5.6067 5.6067 5.6083 5.6083 6.3429 6.3429 6.3437 6.3437 6.6645 6.6645 6.6699 6.6699 7.0457 7.0457 7.0480 7.0480 7.3391 7.3391 7.3520 7.3520 7.6804 7.6804 7.6985 7.6985 8.0285 8.0285 8.0602 8.0602 8.5901 8.5901 8.5933 8.5933 8.7361 8.7361 8.7429 8.7429 9.1040 9.1040 9.1103 9.1103 9.5593 9.5593 9.5674 9.5674 k =-0.4155 0.4304 0.3246 ( 6484 PWs) bands (ev): 5.0137 5.0137 5.0162 5.0162 5.5665 5.5665 5.5682 5.5682 6.3133 6.3133 6.3147 6.3147 6.6294 6.6294 6.6345 6.6345 7.0435 7.0435 7.0456 7.0456 7.3390 7.3390 7.3540 7.3540 7.6623 7.6623 7.6795 7.6795 8.0331 8.0331 8.0665 8.0665 8.6232 8.6232 8.6254 8.6254 8.7383 8.7383 8.7465 8.7465 9.1238 9.1238 9.1309 9.1309 9.5972 9.5972 9.6022 9.6022 k =-0.4208 0.4130 0.3246 ( 6476 PWs) bands (ev): 4.9742 4.9742 4.9766 4.9766 5.5267 5.5267 5.5285 5.5285 6.2843 6.2843 6.2861 6.2861 6.5934 6.5934 6.5980 6.5980 7.0419 7.0419 7.0438 7.0438 7.3424 7.3424 7.3593 7.3593 7.6451 7.6451 7.6613 7.6613 8.0356 8.0356 8.0704 8.0704 8.6540 8.6540 8.6555 8.6555 8.7446 8.7446 8.7539 8.7539 9.1420 9.1420 9.1498 9.1498 9.6349 9.6349 9.6368 9.6368 k =-0.4261 0.3955 0.3246 ( 6480 PWs) bands (ev): 4.9364 4.9364 4.9387 4.9387 5.4876 5.4876 5.4895 5.4895 6.2560 6.2560 6.2580 6.2580 6.5569 6.5569 6.5611 6.5611 7.0408 7.0408 7.0426 7.0426 7.3491 7.3491 7.3677 7.3677 7.6286 7.6286 7.6439 7.6439 8.0360 8.0360 8.0718 8.0718 8.6798 8.6798 8.6813 8.6813 8.7566 8.7566 8.7661 8.7661 9.1592 9.1592 9.1677 9.1677 9.6707 9.6707 9.6718 9.6718 k =-0.4314 0.3781 0.3246 ( 6478 PWs) bands (ev): 4.9005 4.9005 4.9026 4.9026 5.4497 5.4497 5.4516 5.4516 6.2286 6.2286 6.2308 6.2308 6.5206 6.5206 6.5245 6.5245 7.0402 7.0402 7.0420 7.0420 7.3588 7.3588 7.3787 7.3787 7.6130 7.6130 7.6274 7.6274 8.0341 8.0341 8.0706 8.0706 8.6986 8.6986 8.7013 8.7013 8.7751 8.7751 8.7837 8.7837 9.1764 9.1764 9.1855 9.1855 9.7033 9.7033 9.7073 9.7073 k =-0.4366 0.3607 0.3246 ( 6482 PWs) bands (ev): 4.8666 4.8666 4.8686 4.8686 5.4133 5.4133 5.4152 5.4152 6.2024 6.2024 6.2047 6.2047 6.4851 6.4851 6.4886 6.4886 7.0400 7.0400 7.0417 7.0417 7.3709 7.3709 7.3919 7.3919 7.5980 7.5980 7.6117 7.6117 8.0303 8.0303 8.0671 8.0671 8.7117 8.7117 8.7159 8.7159 8.7978 8.7978 8.8049 8.8049 9.1945 9.1945 9.2042 9.2042 9.7341 9.7341 9.7408 9.7408 k =-0.4419 0.3432 0.3246 ( 6474 PWs) bands (ev): 4.8348 4.8348 4.8366 4.8366 5.3787 5.3787 5.3806 5.3806 6.1775 6.1775 6.1798 6.1798 6.4509 6.4509 6.4540 6.4540 7.0402 7.0402 7.0420 7.0420 7.3851 7.3851 7.4069 7.4069 7.5840 7.5840 7.5968 7.5968 8.0245 8.0245 8.0612 8.0612 8.7216 8.7216 8.7270 8.7270 8.8211 8.8211 8.8269 8.8269 9.2140 9.2140 9.2242 9.2242 9.7625 9.7625 9.7717 9.7717 k =-0.4472 0.3258 0.3246 ( 6470 PWs) bands (ev): 4.8053 4.8053 4.8070 4.8070 5.3462 5.3462 5.3480 5.3480 6.1541 6.1541 6.1564 6.1564 6.4184 6.4184 6.4211 6.4211 7.0409 7.0409 7.0427 7.0427 7.4007 7.4007 7.4232 7.4232 7.5709 7.5709 7.5830 7.5830 8.0172 8.0172 8.0533 8.0533 8.7299 8.7299 8.7360 8.7360 8.8428 8.8428 8.8474 8.8474 9.2355 9.2355 9.2461 9.2461 9.7883 9.7883 9.7997 9.7997 k =-0.4525 0.3084 0.3246 ( 6470 PWs) bands (ev): 4.7783 4.7783 4.7798 4.7798 5.3161 5.3161 5.3178 5.3178 6.1325 6.1325 6.1346 6.1346 6.3880 6.3880 6.3903 6.3903 7.0419 7.0419 7.0437 7.0437 7.4173 7.4173 7.4401 7.4401 7.5589 7.5589 7.5702 7.5702 8.0085 8.0085 8.0436 8.0436 8.7372 8.7372 8.7437 8.7437 8.8616 8.8616 8.8653 8.8653 9.2589 9.2589 9.2696 9.2696 9.8111 9.8111 9.8244 9.8244 k =-0.4578 0.2909 0.3246 ( 6476 PWs) bands (ev): 4.7537 4.7537 4.7551 4.7551 5.2885 5.2885 5.2901 5.2901 6.1127 6.1127 6.1147 6.1147 6.3600 6.3600 6.3620 6.3620 7.0431 7.0431 7.0449 7.0449 7.4342 7.4342 7.4570 7.4570 7.5482 7.5482 7.5588 7.5588 7.9988 7.9988 8.0325 8.0325 8.7437 8.7437 8.7502 8.7502 8.8772 8.8772 8.8802 8.8802 9.2838 9.2838 9.2945 9.2945 9.8309 9.8309 9.8455 9.8455 k =-0.4630 0.2735 0.3246 ( 6484 PWs) bands (ev): 4.7319 4.7319 4.7331 4.7331 5.2638 5.2638 5.2653 5.2653 6.0949 6.0949 6.0967 6.0967 6.3347 6.3347 6.3364 6.3364 7.0446 7.0446 7.0463 7.0463 7.4509 7.4509 7.4729 7.4729 7.5394 7.5394 7.5491 7.5491 7.9886 7.9886 8.0202 8.0202 8.7495 8.7495 8.7557 8.7557 8.8899 8.8899 8.8922 8.8922 9.3094 9.3094 9.3199 9.3199 9.8476 9.8476 9.8630 9.8630 k =-0.4683 0.2560 0.3246 ( 6476 PWs) bands (ev): 4.7127 4.7127 4.7138 4.7138 5.2421 5.2421 5.2434 5.2434 6.0793 6.0793 6.0808 6.0808 6.3123 6.3123 6.3138 6.3138 7.0462 7.0462 7.0478 7.0478 7.4662 7.4662 7.4865 7.4865 7.5336 7.5336 7.5415 7.5415 7.9784 7.9784 8.0074 8.0074 8.7546 8.7546 8.7603 8.7603 8.8999 8.8999 8.9016 8.9016 9.3347 9.3347 9.3447 9.3447 9.8616 9.8616 9.8769 9.8769 k =-0.4736 0.2386 0.3246 ( 6484 PWs) bands (ev): 4.6964 4.6964 4.6973 4.6973 5.2234 5.2234 5.2245 5.2245 6.0658 6.0658 6.0672 6.0672 6.2931 6.2931 6.2943 6.2943 7.0478 7.0478 7.0493 7.0493 7.4788 7.4788 7.4949 7.4949 7.5328 7.5328 7.5371 7.5371 7.9687 7.9687 7.9945 7.9945 8.7588 8.7588 8.7638 8.7638 8.9077 8.9077 8.9089 8.9089 9.3588 9.3588 9.3679 9.3679 9.8730 9.8730 9.8875 9.8875 k =-0.4789 0.2212 0.3246 ( 6476 PWs) bands (ev): 4.6830 4.6830 4.6837 4.6837 5.2080 5.2080 5.2090 5.2090 6.0548 6.0548 6.0558 6.0558 6.2772 6.2772 6.2781 6.2781 7.0493 7.0493 7.0506 7.0506 7.4871 7.4871 7.4969 7.4969 7.5371 7.5371 7.5378 7.5378 7.9601 7.9601 7.9821 7.9821 8.7623 8.7623 8.7665 8.7665 8.9136 8.9136 8.9145 8.9145 9.3805 9.3805 9.3885 9.3885 9.8822 9.8822 9.8951 9.8951 k =-0.4842 0.2037 0.3246 ( 6482 PWs) bands (ev): 4.6725 4.6725 4.6730 4.6730 5.1960 5.1960 5.1967 5.1967 6.0461 6.0461 6.0469 6.0469 6.2647 6.2647 6.2654 6.2654 7.0507 7.0507 7.0516 7.0516 7.4906 7.4906 7.4955 7.4955 7.5413 7.5413 7.5452 7.5452 7.9533 7.9533 7.9707 7.9707 8.7650 8.7650 8.7683 8.7683 8.9180 8.9180 8.9185 8.9185 9.3989 9.3989 9.4053 9.4053 9.8894 9.8894 9.9000 9.9000 k =-0.4894 0.1863 0.3246 ( 6482 PWs) bands (ev): 4.6650 4.6650 4.6654 4.6654 5.1874 5.1874 5.1879 5.1879 6.0399 6.0399 6.0404 6.0404 6.2558 6.2558 6.2562 6.2562 7.0517 7.0517 7.0524 7.0524 7.4912 7.4912 7.4933 7.4933 7.5474 7.5474 7.5515 7.5515 7.9489 7.9489 7.9610 7.9610 8.7671 8.7671 8.7694 8.7694 8.9210 8.9210 8.9213 8.9213 9.4131 9.4131 9.4176 9.4176 9.8950 9.8950 9.9025 9.9025 k =-0.4947 0.1689 0.3246 ( 6478 PWs) bands (ev): 4.6605 4.6605 4.6607 4.6607 5.1822 5.1822 5.1825 5.1825 6.0362 6.0362 6.0365 6.0365 6.2504 6.2504 6.2506 6.2506 7.0525 7.0525 7.0528 7.0528 7.4909 7.4909 7.4917 7.4917 7.5526 7.5526 7.5551 7.5551 7.9473 7.9473 7.9535 7.9535 8.7686 8.7686 8.7697 8.7697 8.9227 8.9227 8.9229 8.9229 9.4224 9.4224 9.4248 9.4248 9.8991 9.8991 9.9030 9.9030 k =-0.5000 0.1514 0.3246 ( 6472 PWs) bands (ev): 4.6590 4.6590 4.6591 4.6591 5.1805 5.1805 5.1807 5.1807 6.0351 6.0351 6.0351 6.0351 6.2487 6.2487 6.2487 6.2487 7.0528 7.0528 7.0529 7.0529 7.4909 7.4909 7.4909 7.4909 7.5554 7.5554 7.5554 7.5554 7.9489 7.9489 7.9489 7.9489 8.7694 8.7694 8.7695 8.7695 8.9233 8.9233 8.9234 8.9234 9.4263 9.4263 9.4264 9.4264 9.9017 9.9017 9.9019 9.9019 k =-0.5000 0.1514 0.3246 ( 6472 PWs) bands (ev): 4.6590 4.6590 4.6591 4.6591 5.1805 5.1805 5.1807 5.1807 6.0351 6.0351 6.0351 6.0351 6.2487 6.2487 6.2487 6.2487 7.0528 7.0528 7.0529 7.0529 7.4909 7.4909 7.4909 7.4909 7.5554 7.5554 7.5554 7.5554 7.9489 7.9489 7.9489 7.9489 8.7694 8.7694 8.7695 8.7695 8.9233 8.9233 8.9234 8.9234 9.4263 9.4263 9.4264 9.4264 9.9017 9.9017 9.9019 9.9019 k =-0.5000 0.1514 0.3066 ( 6478 PWs) bands (ev): 4.6135 4.6135 4.7057 4.7057 5.1356 5.1356 5.2265 5.2265 6.0139 6.0139 6.0572 6.0572 6.2374 6.2374 6.2588 6.2588 7.0529 7.0529 7.0547 7.0547 7.4824 7.4824 7.4995 7.4995 7.5424 7.5424 7.5678 7.5678 7.9433 7.9433 7.9541 7.9541 8.7647 8.7647 8.7737 8.7737 8.8875 8.8875 8.9587 8.9587 9.4248 9.4248 9.4266 9.4266 9.8941 9.8941 9.9114 9.9114 k =-0.5000 0.1514 0.2885 ( 6472 PWs) bands (ev): 4.5692 4.5692 4.7531 4.7531 5.0917 5.0917 5.2730 5.2730 5.9939 5.9939 6.0800 6.0800 6.2249 6.2249 6.2679 6.2679 7.0549 7.0549 7.0583 7.0583 7.4742 7.4742 7.5074 7.5074 7.5299 7.5299 7.5792 7.5792 7.9373 7.9373 7.9588 7.9588 8.7598 8.7598 8.7758 8.7758 8.8535 8.8535 8.9929 8.9929 9.4218 9.4218 9.4257 9.4257 9.8881 9.8881 9.9230 9.9230 k =-0.5000 0.1514 0.2705 ( 6480 PWs) bands (ev): 4.5264 4.5264 4.8006 4.8006 5.0495 5.0495 5.3195 5.3195 5.9753 5.9753 6.1031 6.1031 6.2113 6.2113 6.2761 6.2761 7.0587 7.0587 7.0634 7.0634 7.4663 7.4663 7.5088 7.5088 7.5241 7.5241 7.5893 7.5893 7.9310 7.9310 7.9631 7.9631 8.7546 8.7546 8.7687 8.7687 8.8287 8.8287 9.0253 9.0253 9.4173 9.4173 9.4240 9.4240 9.8837 9.8837 9.9366 9.9366 k =-0.5000 0.1514 0.2525 ( 6484 PWs) bands (ev): 4.4855 4.4855 4.8478 4.8478 5.0093 5.0093 5.3658 5.3658 5.9582 5.9582 6.1263 6.1263 6.1966 6.1966 6.2839 6.2839 7.0637 7.0637 7.0699 7.0699 7.4588 7.4588 7.4987 7.4987 7.5304 7.5304 7.5979 7.5979 7.9245 7.9245 7.9669 7.9669 8.7415 8.7415 8.7513 8.7513 8.8221 8.8221 9.0560 9.0560 9.4114 9.4114 9.4218 9.4218 9.8806 9.8806 9.9524 9.9524 k =-0.5000 0.1514 0.2344 ( 6476 PWs) bands (ev): 4.4467 4.4467 4.8929 4.8929 4.9729 4.9729 5.4115 5.4115 5.9428 5.9428 6.1488 6.1488 6.1812 6.1812 6.2918 6.2918 7.0690 7.0690 7.0779 7.0779 7.4518 7.4518 7.4874 7.4874 7.5391 7.5391 7.6050 7.6050 7.9179 7.9179 7.9702 7.9702 8.7064 8.7064 8.7446 8.7446 8.8268 8.8268 9.0847 9.0847 9.4040 9.4040 9.4196 9.4196 9.8785 9.8785 9.9701 9.9701 k =-0.5000 0.1514 0.2164 ( 6484 PWs) bands (ev): 4.4100 4.4100 4.9174 4.9174 4.9582 4.9582 5.4560 5.4560 5.9292 5.9292 6.1637 6.1637 6.1714 6.1714 6.3004 6.3004 7.0736 7.0736 7.0873 7.0873 7.4454 7.4454 7.4773 7.4773 7.5481 7.5481 7.6105 7.6105 7.9112 7.9112 7.9730 7.9730 8.6674 8.6674 8.7378 8.7378 8.8355 8.8355 9.1116 9.1116 9.3955 9.3955 9.4178 9.4178 9.8770 9.8770 9.9870 9.9870 k =-0.5000 0.1514 0.1984 ( 6468 PWs) bands (ev): 4.3757 4.3757 4.8926 4.8926 4.9940 4.9940 5.4989 5.4989 5.9177 5.9177 6.1477 6.1477 6.1900 6.1900 6.3106 6.3106 7.0766 7.0766 7.0981 7.0981 7.4397 7.4397 7.4693 7.4693 7.5571 7.5571 7.6145 7.6145 7.9046 7.9046 7.9755 7.9755 8.6277 8.6277 8.7300 8.7300 8.8460 8.8460 9.1365 9.1365 9.3859 9.3859 9.4167 9.4167 9.8751 9.8751 9.9589 9.9590 k =-0.5000 0.1514 0.1803 ( 6476 PWs) bands (ev): 4.3439 4.3439 4.8621 4.8621 5.0362 5.0362 5.5398 5.5398 5.9083 5.9083 6.1307 6.1307 6.2066 6.2066 6.3230 6.3230 7.0774 7.0774 7.1098 7.1098 7.4347 7.4347 7.4637 7.4637 7.5658 7.5658 7.6170 7.6170 7.8980 7.8980 7.9774 7.9774 8.5885 8.5885 8.7210 8.7210 8.8574 8.8574 9.1597 9.1597 9.3756 9.3756 9.4169 9.4169 9.8694 9.8694 9.9217 9.9217 k =-0.5000 0.1514 0.1623 ( 6470 PWs) bands (ev): 4.3148 4.3148 4.8332 4.8332 5.0770 5.0770 5.5782 5.5782 5.9013 5.9013 6.1134 6.1134 6.2201 6.2201 6.3379 6.3379 7.0757 7.0757 7.1222 7.1222 7.4305 7.4305 7.4609 7.4609 7.5741 7.5741 7.6182 7.6182 7.8917 7.8917 7.9790 7.9790 8.5506 8.5506 8.7108 8.7108 8.8693 8.8693 9.1812 9.1812 9.3649 9.3649 9.4186 9.4186 9.8494 9.8494 9.9003 9.9003 k =-0.5000 0.1514 0.1443 ( 6460 PWs) bands (ev): 4.2885 4.2885 4.8068 4.8068 5.1153 5.1153 5.6136 5.6136 5.8966 5.8966 6.0961 6.0961 6.2306 6.2306 6.3550 6.3550 7.0715 7.0715 7.1348 7.1348 7.4269 7.4269 7.4608 7.4608 7.5819 7.5819 7.6182 7.6182 7.8857 7.8857 7.9802 7.9802 8.5147 8.5147 8.6996 8.6996 8.8811 8.8811 9.2009 9.2009 9.3540 9.3540 9.4221 9.4221 9.8150 9.8150 9.8950 9.8950 k =-0.5000 0.1514 0.1262 ( 6468 PWs) bands (ev): 4.2650 4.2650 4.7832 4.7832 5.1503 5.1503 5.6457 5.6457 5.8944 5.8944 6.0789 6.0789 6.2388 6.2388 6.3733 6.3733 7.0651 7.0651 7.1472 7.1472 7.4237 7.4237 7.4631 7.4631 7.5890 7.5890 7.6172 7.6172 7.8802 7.8802 7.9812 7.9812 8.4814 8.4814 8.6878 8.6878 8.8927 8.8927 9.2188 9.2188 9.3434 9.3434 9.4276 9.4276 9.7772 9.7772 9.8948 9.8948 k =-0.5000 0.1514 0.1082 ( 6468 PWs) bands (ev): 4.2445 4.2445 4.7624 4.7624 5.1816 5.1816 5.6741 5.6741 5.8946 5.8946 6.0621 6.0621 6.2451 6.2451 6.3919 6.3919 7.0572 7.0572 7.1590 7.1590 7.4211 7.4211 7.4673 7.4673 7.5954 7.5954 7.6155 7.6155 7.8752 7.8752 7.9819 7.9819 8.4513 8.4513 8.6758 8.6758 8.9036 8.9036 9.2347 9.2347 9.3334 9.3334 9.4353 9.4353 9.7398 9.7398 9.8960 9.8960 k =-0.5000 0.1514 0.0902 ( 6472 PWs) bands (ev): 4.2270 4.2270 4.7447 4.7447 5.2087 5.2087 5.6985 5.6985 5.8971 5.8971 6.0457 6.0457 6.2502 6.2502 6.4097 6.4097 7.0484 7.0484 7.1699 7.1699 7.4188 7.4188 7.4726 7.4726 7.6009 7.6009 7.6134 7.6134 7.8708 7.8708 7.9823 7.9823 8.4249 8.4249 8.6642 8.6642 8.9134 8.9134 9.2484 9.2484 9.3244 9.3244 9.4455 9.4455 9.7037 9.7037 9.8977 9.8977 k =-0.5000 0.1514 0.0721 ( 6458 PWs) bands (ev): 4.2127 4.2127 4.7301 4.7301 5.2312 5.2312 5.7187 5.7187 5.9017 5.9017 6.0301 6.0301 6.2542 6.2542 6.4257 6.4257 7.0398 7.0398 7.1794 7.1794 7.4169 7.4169 7.4781 7.4781 7.6052 7.6052 7.6114 7.6114 7.8670 7.8670 7.9827 7.9827 8.4026 8.4026 8.6536 8.6536 8.9220 8.9220 9.2595 9.2595 9.3168 9.3168 9.4583 9.4583 9.6693 9.6693 9.8993 9.8993 k =-0.5000 0.1514 0.0541 ( 6458 PWs) bands (ev): 4.2014 4.2014 4.7187 4.7187 5.2490 5.2490 5.7345 5.7345 5.9078 5.9078 6.0156 6.0156 6.2574 6.2574 6.4391 6.4391 7.0320 7.0320 7.1873 7.1873 7.4154 7.4154 7.4833 7.4833 7.6069 7.6069 7.6111 7.6111 7.8641 7.8641 7.9829 7.9829 8.3849 8.3849 8.6446 8.6446 8.9290 8.9290 9.2677 9.2677 9.3111 9.3111 9.4735 9.4735 9.6371 9.6371 9.9008 9.9008 k =-0.5000 0.1514 0.0361 ( 6454 PWs) bands (ev): 4.1934 4.1934 4.7105 4.7105 5.2617 5.2617 5.7458 5.7458 5.9144 5.9144 6.0032 6.0032 6.2597 6.2597 6.4492 6.4492 7.0258 7.0258 7.1932 7.1932 7.4144 7.4144 7.4874 7.4874 7.6059 7.6059 7.6130 7.6130 7.8619 7.8619 7.9831 7.9831 8.3720 8.3720 8.6377 8.6377 8.9342 8.9343 9.2729 9.2729 9.3075 9.3075 9.4907 9.4907 9.6079 9.6079 9.9019 9.9019 k =-0.5000 0.1514 0.0180 ( 6454 PWs) bands (ev): 4.1885 4.1885 4.7056 4.7056 5.2694 5.2694 5.7527 5.7527 5.9199 5.9199 5.9942 5.9942 6.2611 6.2611 6.4555 6.4555 7.0219 7.0219 7.1968 7.1968 7.4138 7.4138 7.4900 7.4900 7.6049 7.6049 7.6145 7.6145 7.8606 7.8606 7.9831 7.9831 8.3641 8.3641 8.6334 8.6334 8.9374 8.9374 9.2755 9.2755 9.3058 9.3058 9.5077 9.5077 9.5836 9.5836 9.9026 9.9026 k =-0.5000 0.1514 0.0000 ( 6440 PWs) bands (ev): 4.1869 4.1869 4.7039 4.7039 5.2719 5.2719 5.7549 5.7549 5.9222 5.9222 5.9908 5.9908 6.2616 6.2616 6.4577 6.4577 7.0205 7.0205 7.1980 7.1980 7.4136 7.4136 7.4909 7.4909 7.6045 7.6045 7.6150 7.6150 7.8602 7.8602 7.9832 7.9832 8.3615 8.3615 8.6319 8.6319 8.9385 8.9385 9.2763 9.2763 9.3054 9.3054 9.5167 9.5167 9.5722 9.5722 9.9029 9.9029 k = 0.0000 0.0000 0.3246 ( 6470 PWs) bands (ev): 3.5287 3.5287 3.5288 3.5288 6.0189 6.0189 6.0189 6.0189 6.2447 6.2447 6.2447 6.2447 6.6053 6.6053 6.6053 6.6053 7.3027 7.3027 7.3029 7.3029 7.6742 7.6742 7.6742 7.6742 7.7812 7.7812 7.7813 7.7813 7.8875 7.8875 7.8875 7.8875 8.6730 8.6730 8.6731 8.6731 9.2509 9.2509 9.2510 9.2510 9.6217 9.6217 9.6217 9.6217 9.8758 9.8758 9.8759 9.8759 k =-0.0172 0.0052 0.3246 ( 6458 PWs) bands (ev): 3.5305 3.5305 3.5306 3.5306 6.0182 6.0182 6.0182 6.0182 6.2441 6.2441 6.2441 6.2441 6.6041 6.6041 6.6042 6.6042 7.3022 7.3022 7.3024 7.3024 7.6735 7.6735 7.6735 7.6735 7.7807 7.7807 7.7808 7.7808 7.8878 7.8878 7.8878 7.8878 8.6725 8.6725 8.6726 8.6726 9.2502 9.2502 9.2503 9.2503 9.6228 9.6228 9.6228 9.6228 9.8717 9.8717 9.8718 9.8718 k =-0.0345 0.0104 0.3246 ( 6454 PWs) bands (ev): 3.5360 3.5360 3.5361 3.5361 6.0162 6.0162 6.0162 6.0162 6.2424 6.2424 6.2424 6.2424 6.6006 6.6006 6.6007 6.6007 7.3007 7.3007 7.3009 7.3009 7.6713 7.6713 7.6713 7.6713 7.7794 7.7794 7.7795 7.7795 7.8887 7.8887 7.8887 7.8887 8.6711 8.6711 8.6712 8.6712 9.2480 9.2480 9.2481 9.2481 9.6260 9.6260 9.6260 9.6260 9.8603 9.8603 9.8604 9.8604 k =-0.0517 0.0157 0.3246 ( 6448 PWs) bands (ev): 3.5451 3.5451 3.5453 3.5453 6.0129 6.0129 6.0129 6.0129 6.2395 6.2395 6.2395 6.2395 6.5948 6.5948 6.5949 6.5949 7.2983 7.2983 7.2984 7.2984 7.6679 7.6679 7.6679 7.6679 7.7770 7.7770 7.7771 7.7771 7.8901 7.8901 7.8901 7.8901 8.6689 8.6689 8.6690 8.6690 9.2445 9.2445 9.2447 9.2447 9.6304 9.6304 9.6304 9.6304 9.8439 9.8439 9.8440 9.8440 k =-0.0690 0.0209 0.3246 ( 6444 PWs) bands (ev): 3.5579 3.5579 3.5581 3.5581 6.0082 6.0082 6.0083 6.0083 6.2353 6.2353 6.2354 6.2354 6.5867 6.5867 6.5867 6.5867 7.2949 7.2949 7.2951 7.2951 7.6632 7.6632 7.6632 7.6632 7.7735 7.7735 7.7736 7.7736 7.8919 7.8919 7.8919 7.8919 8.6662 8.6662 8.6663 8.6663 9.2398 9.2398 9.2400 9.2400 9.6345 9.6345 9.6345 9.6345 9.8257 9.8257 9.8258 9.8258 k =-0.0862 0.0261 0.3246 ( 6432 PWs) bands (ev): 3.5743 3.5743 3.5745 3.5745 6.0022 6.0022 6.0023 6.0023 6.2300 6.2300 6.2301 6.2301 6.5763 6.5763 6.5763 6.5763 7.2906 7.2906 7.2908 7.2908 7.6574 7.6574 7.6574 7.6574 7.7689 7.7689 7.7690 7.7690 7.8942 7.8942 7.8942 7.8942 8.6631 8.6631 8.6632 8.6632 9.2340 9.2340 9.2342 9.2342 9.6357 9.6357 9.6358 9.6358 9.8097 9.8097 9.8098 9.8098 k =-0.1034 0.0313 0.3246 ( 6434 PWs) bands (ev): 3.5943 3.5943 3.5944 3.5944 5.9949 5.9949 5.9950 5.9950 6.2234 6.2234 6.2234 6.2234 6.5637 6.5637 6.5638 6.5638 7.2854 7.2854 7.2856 7.2856 7.6506 7.6506 7.6506 7.6506 7.7630 7.7630 7.7631 7.7631 7.8967 7.8967 7.8967 7.8967 8.6601 8.6601 8.6602 8.6602 9.2270 9.2270 9.2271 9.2271 9.6311 9.6311 9.6312 9.6312 9.8002 9.8002 9.8002 9.8002 k =-0.1207 0.0366 0.3246 ( 6430 PWs) bands (ev): 3.6178 3.6178 3.6180 3.6180 5.9863 5.9863 5.9864 5.9864 6.2154 6.2154 6.2154 6.2154 6.5492 6.5492 6.5493 6.5493 7.2794 7.2794 7.2795 7.2795 7.6429 7.6429 7.6429 7.6429 7.7557 7.7557 7.7558 7.7558 7.8995 7.8995 7.8995 7.8995 8.6576 8.6576 8.6578 8.6578 9.2185 9.2185 9.2186 9.2186 9.6189 9.6189 9.6189 9.6189 9.7999 9.7999 9.7999 9.7999 k =-0.1379 0.0418 0.3246 ( 6434 PWs) bands (ev): 3.6448 3.6448 3.6450 3.6450 5.9763 5.9763 5.9764 5.9764 6.2058 6.2058 6.2059 6.2059 6.5331 6.5331 6.5331 6.5331 7.2723 7.2723 7.2725 7.2725 7.6346 7.6346 7.6346 7.6346 7.7469 7.7469 7.7470 7.7470 7.9025 7.9025 7.9025 7.9025 8.6562 8.6562 8.6563 8.6563 9.2082 9.2082 9.2083 9.2083 9.6001 9.6001 9.6002 9.6002 9.8086 9.8086 9.8087 9.8087 k =-0.1552 0.0470 0.3246 ( 6424 PWs) bands (ev): 3.6753 3.6753 3.6754 3.6754 5.9648 5.9648 5.9649 5.9649 6.1946 6.1946 6.1947 6.1947 6.5156 6.5156 6.5157 6.5157 7.2643 7.2643 7.2645 7.2645 7.6257 7.6257 7.6257 7.6257 7.7367 7.7367 7.7368 7.7368 7.9056 7.9056 7.9056 7.9056 8.6562 8.6562 8.6563 8.6563 9.1958 9.1958 9.1959 9.1959 9.5778 9.5778 9.5779 9.5779 9.8244 9.8244 9.8244 9.8244 k =-0.1724 0.0522 0.3246 ( 6432 PWs) bands (ev): 3.7091 3.7091 3.7092 3.7092 5.9516 5.9516 5.9517 5.9517 6.1816 6.1816 6.1817 6.1817 6.4973 6.4973 6.4974 6.4974 7.2552 7.2552 7.2553 7.2553 7.6164 7.6164 7.6164 7.6164 7.7251 7.7251 7.7252 7.7252 7.9088 7.9088 7.9088 7.9088 8.6580 8.6580 8.6582 8.6582 9.1807 9.1807 9.1809 9.1809 9.5548 9.5548 9.5549 9.5549 9.8449 9.8449 9.8449 9.8449 k =-0.1897 0.0574 0.3246 ( 6436 PWs) bands (ev): 3.7462 3.7462 3.7464 3.7464 5.9365 5.9365 5.9366 5.9366 6.1668 6.1668 6.1669 6.1669 6.4786 6.4786 6.4787 6.4787 7.2449 7.2449 7.2451 7.2451 7.6068 7.6068 7.6068 7.6068 7.7123 7.7123 7.7124 7.7124 7.9119 7.9119 7.9120 7.9120 8.6620 8.6620 8.6621 8.6621 9.1628 9.1628 9.1630 9.1630 9.5332 9.5332 9.5332 9.5332 9.8686 9.8686 9.8687 9.8687 k =-0.2069 0.0627 0.3246 ( 6440 PWs) bands (ev): 3.7865 3.7865 3.7867 3.7867 5.9189 5.9189 5.9190 5.9190 6.1505 6.1505 6.1506 6.1506 6.4601 6.4601 6.4602 6.4602 7.2335 7.2335 7.2337 7.2337 7.5970 7.5970 7.5970 7.5970 7.6986 7.6986 7.6987 7.6987 7.9151 7.9151 7.9151 7.9151 8.6682 8.6682 8.6683 8.6683 9.1421 9.1421 9.1422 9.1422 9.5140 9.5140 9.5140 9.5140 9.8947 9.8947 9.8948 9.8948 k =-0.2241 0.0679 0.3246 ( 6436 PWs) bands (ev): 3.8300 3.8300 3.8301 3.8301 5.8983 5.8983 5.8984 5.8984 6.1330 6.1330 6.1331 6.1331 6.4420 6.4420 6.4420 6.4420 7.2209 7.2209 7.2210 7.2210 7.5872 7.5872 7.5872 7.5872 7.6845 7.6845 7.6845 7.6845 7.9183 7.9183 7.9183 7.9183 8.6766 8.6766 8.6768 8.6768 9.1187 9.1187 9.1188 9.1188 9.4977 9.4977 9.4978 9.4978 9.9225 9.9225 9.9225 9.9225 k =-0.2414 0.0731 0.3246 ( 6436 PWs) bands (ev): 3.8764 3.8764 3.8765 3.8765 5.8739 5.8739 5.8739 5.8739 6.1151 6.1151 6.1152 6.1152 6.4245 6.4245 6.4246 6.4246 7.2072 7.2072 7.2073 7.2073 7.5774 7.5774 7.5774 7.5774 7.6701 7.6701 7.6702 7.6702 7.9214 7.9214 7.9214 7.9214 8.6871 8.6871 8.6873 8.6873 9.0934 9.0934 9.0935 9.0935 9.4844 9.4844 9.4844 9.4844 9.9513 9.9513 9.9514 9.9514 k =-0.2586 0.0783 0.3246 ( 6424 PWs) bands (ev): 3.9257 3.9257 3.9258 3.9258 5.8448 5.8448 5.8449 5.8449 6.0977 6.0977 6.0978 6.0978 6.4079 6.4079 6.4080 6.4080 7.1925 7.1925 7.1927 7.1927 7.5678 7.5678 7.5678 7.5678 7.6560 7.6560 7.6560 7.6560 7.9245 7.9245 7.9245 7.9245 8.6993 8.6993 8.6995 8.6995 9.0668 9.0668 9.0669 9.0669 9.4737 9.4737 9.4737 9.4737 9.9808 9.9808 9.9809 9.9809 k =-0.2759 0.0835 0.3246 ( 6432 PWs) bands (ev): 3.9777 3.9777 3.9778 3.9778 5.8106 5.8106 5.8107 5.8107 6.0816 6.0816 6.0818 6.0818 6.3919 6.3919 6.3920 6.3920 7.1772 7.1772 7.1773 7.1773 7.5584 7.5584 7.5584 7.5584 7.6424 7.6424 7.6424 7.6424 7.9274 7.9274 7.9274 7.9274 8.7129 8.7129 8.7130 8.7130 9.0398 9.0398 9.0399 9.0399 9.4652 9.4652 9.4652 9.4652 10.0103 10.0103 10.0104 10.0104 k =-0.2931 0.0888 0.3246 ( 6436 PWs) bands (ev): 4.0322 4.0322 4.0323 4.0323 5.7709 5.7709 5.7709 5.7709 6.0677 6.0677 6.0678 6.0678 6.3766 6.3766 6.3767 6.3767 7.1615 7.1615 7.1616 7.1616 7.5494 7.5494 7.5494 7.5494 7.6296 7.6296 7.6296 7.6296 7.9302 7.9302 7.9302 7.9302 8.7272 8.7272 8.7274 8.7274 9.0134 9.0134 9.0134 9.0134 9.4584 9.4584 9.4584 9.4584 10.0381 10.0381 10.0382 10.0382 k =-0.3103 0.0940 0.3246 ( 6446 PWs) bands (ev): 4.0890 4.0890 4.0891 4.0891 5.7258 5.7258 5.7258 5.7258 6.0562 6.0562 6.0562 6.0562 6.3617 6.3617 6.3618 6.3618 7.1459 7.1459 7.1460 7.1460 7.5407 7.5407 7.5407 7.5407 7.6177 7.6177 7.6177 7.6177 7.9329 7.9329 7.9329 7.9329 8.7417 8.7417 8.7418 8.7418 8.9883 8.9883 8.9883 8.9883 9.4528 9.4528 9.4529 9.4529 10.0534 10.0534 10.0535 10.0535 k =-0.3276 0.0992 0.3246 ( 6458 PWs) bands (ev): 4.1479 4.1479 4.1480 4.1480 5.6758 5.6758 5.6758 5.6758 6.0471 6.0471 6.0472 6.0472 6.3472 6.3472 6.3472 6.3472 7.1307 7.1307 7.1308 7.1308 7.5326 7.5326 7.5326 7.5326 7.6068 7.6068 7.6068 7.6068 7.9354 7.9354 7.9354 7.9354 8.7555 8.7555 8.7556 8.7556 8.9654 8.9654 8.9654 8.9654 9.4482 9.4482 9.4483 9.4483 10.0381 10.0381 10.0382 10.0382 k =-0.3448 0.1044 0.3246 ( 6466 PWs) bands (ev): 4.2085 4.2085 4.2086 4.2086 5.6216 5.6216 5.6217 5.6217 6.0404 6.0404 6.0404 6.0404 6.3329 6.3329 6.3330 6.3330 7.1163 7.1163 7.1164 7.1164 7.5251 7.5251 7.5251 7.5251 7.5970 7.5970 7.5970 7.5970 7.9378 7.9378 7.9378 7.9378 8.7677 8.7677 8.7679 8.7679 8.9457 8.9457 8.9457 8.9457 9.4443 9.4443 9.4444 9.4444 10.0150 10.0150 10.0152 10.0152 k =-0.3621 0.1097 0.3246 ( 6474 PWs) bands (ev): 4.2704 4.2704 4.2705 4.2705 5.5640 5.5640 5.5641 5.5641 6.0357 6.0357 6.0358 6.0358 6.3189 6.3189 6.3190 6.3190 7.1031 7.1031 7.1032 7.1032 7.5182 7.5182 7.5182 7.5182 7.5882 7.5882 7.5882 7.5882 7.9400 7.9400 7.9400 7.9400 8.7773 8.7773 8.7775 8.7775 8.9300 8.9300 8.9301 8.9301 9.4408 9.4408 9.4409 9.4409 9.9926 9.9926 9.9928 9.9928 k =-0.3793 0.1149 0.3246 ( 6476 PWs) bands (ev): 4.3331 4.3331 4.3332 4.3332 5.5041 5.5041 5.5042 5.5042 6.0329 6.0329 6.0330 6.0330 6.3054 6.3054 6.3055 6.3055 7.0912 7.0912 7.0913 7.0913 7.5120 7.5120 7.5120 7.5120 7.5806 7.5806 7.5806 7.5806 7.9420 7.9420 7.9420 7.9420 8.7833 8.7833 8.7835 8.7835 8.9193 8.9193 8.9194 8.9194 9.4378 9.4378 9.4379 9.4379 9.9721 9.9721 9.9722 9.9722 k =-0.3966 0.1201 0.3246 ( 6482 PWs) bands (ev): 4.3959 4.3959 4.3960 4.3960 5.4430 5.4430 5.4431 5.4431 6.0316 6.0316 6.0316 6.0316 6.2925 6.2925 6.2926 6.2926 7.0809 7.0809 7.0810 7.0810 7.5065 7.5065 7.5065 7.5065 7.5739 7.5739 7.5739 7.5739 7.9437 7.9437 7.9438 7.9438 8.7853 8.7853 8.7855 8.7855 8.9138 8.9138 8.9139 8.9139 9.4350 9.4350 9.4351 9.4351 9.9538 9.9538 9.9540 9.9540 k =-0.4138 0.1253 0.3246 ( 6484 PWs) bands (ev): 4.4576 4.4576 4.4578 4.4578 5.3820 5.3820 5.3821 5.3821 6.0314 6.0314 6.0314 6.0314 6.2806 6.2806 6.2807 6.2807 7.0722 7.0722 7.0722 7.0722 7.5018 7.5018 7.5018 7.5018 7.5683 7.5683 7.5683 7.5683 7.9453 7.9453 7.9453 7.9453 8.7839 8.7839 8.7840 8.7840 8.9128 8.9128 8.9129 8.9129 9.4326 9.4326 9.4326 9.4326 9.9382 9.9382 9.9383 9.9383 k =-0.4310 0.1305 0.3246 ( 6474 PWs) bands (ev): 4.5169 4.5169 4.5170 4.5170 5.3231 5.3231 5.3232 5.3232 6.0319 6.0319 6.0320 6.0320 6.2700 6.2700 6.2700 6.2700 7.0651 7.0651 7.0652 7.0652 7.4979 7.4979 7.4979 7.4979 7.5637 7.5637 7.5637 7.5637 7.9466 7.9466 7.9466 7.9466 8.7804 8.7804 8.7805 8.7805 8.9146 8.9146 8.9147 8.9147 9.4304 9.4304 9.4305 9.4305 9.9252 9.9252 9.9253 9.9253 k =-0.4483 0.1358 0.3246 ( 6486 PWs) bands (ev): 4.5711 4.5711 4.5712 4.5712 5.2689 5.2689 5.2690 5.2690 6.0329 6.0329 6.0330 6.0330 6.2611 6.2611 6.2611 6.2611 7.0597 7.0597 7.0597 7.0597 7.4949 7.4949 7.4949 7.4949 7.5601 7.5601 7.5601 7.5601 7.9476 7.9476 7.9476 7.9476 8.7762 8.7762 8.7764 8.7764 8.9176 8.9176 8.9177 8.9177 9.4287 9.4287 9.4288 9.4288 9.9150 9.9150 9.9151 9.9151 k =-0.4655 0.1410 0.3246 ( 6484 PWs) bands (ev): 4.6165 4.6165 4.6166 4.6166 5.2233 5.2233 5.2234 5.2234 6.0340 6.0340 6.0340 6.0340 6.2543 6.2543 6.2544 6.2544 7.0558 7.0558 7.0559 7.0559 7.4927 7.4927 7.4927 7.4927 7.5575 7.5575 7.5575 7.5575 7.9483 7.9483 7.9483 7.9483 8.7726 8.7726 8.7728 8.7728 8.9205 8.9205 8.9206 8.9206 9.4274 9.4274 9.4275 9.4275 9.9076 9.9076 9.9078 9.9078 k =-0.4828 0.1462 0.3246 ( 6484 PWs) bands (ev): 4.6477 4.6477 4.6478 4.6478 5.1919 5.1919 5.1920 5.1920 6.0348 6.0348 6.0348 6.0348 6.2501 6.2501 6.2502 6.2502 7.0536 7.0536 7.0536 7.0536 7.4914 7.4914 7.4914 7.4914 7.5559 7.5559 7.5559 7.5559 7.9487 7.9487 7.9487 7.9487 8.7702 8.7702 8.7703 8.7703 8.9226 8.9226 8.9226 8.9226 9.4266 9.4266 9.4267 9.4267 9.9032 9.9032 9.9034 9.9034 k =-0.5000 0.1514 0.3246 ( 6472 PWs) bands (ev): 4.6590 4.6590 4.6591 4.6591 5.1805 5.1805 5.1807 5.1807 6.0351 6.0351 6.0351 6.0351 6.2487 6.2487 6.2487 6.2487 7.0528 7.0528 7.0529 7.0529 7.4909 7.4909 7.4909 7.4909 7.5554 7.5554 7.5554 7.5554 7.9489 7.9489 7.9489 7.9489 8.7694 8.7694 8.7695 8.7695 8.9233 8.9233 8.9234 8.9234 9.4263 9.4263 9.4264 9.4264 9.9017 9.9017 9.9019 9.9019 Writing output data file Zr3Fe.save init_run : 0.18s CPU 0.30s WALL ( 1 calls) electrons : 570.04s CPU 576.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 570.03s CPU 576.03s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.09s WALL ( 362 calls) cegterg : 519.55s CPU 524.57s WALL ( 1100 calls) Called by sum_band: Called by *egterg: h_psi : 367.83s CPU 371.40s WALL ( 20169 calls) s_psi : 11.79s CPU 12.00s WALL ( 20169 calls) g_psi : 0.85s CPU 0.84s WALL ( 18707 calls) cdiaghg : 126.83s CPU 127.90s WALL ( 19069 calls) cegterg:over : 19.39s CPU 19.44s WALL ( 18707 calls) cegterg:upda : 19.74s CPU 19.81s WALL ( 18707 calls) cegterg:last : 9.50s CPU 9.66s WALL ( 3129 calls) cdiaghg:chol : 7.42s CPU 7.27s WALL ( 19069 calls) cdiaghg:inve : 4.40s CPU 4.78s WALL ( 19069 calls) cdiaghg:para : 7.51s CPU 7.32s WALL ( 38138 calls) Called by h_psi: h_psi:vloc : 331.11s CPU 334.96s WALL ( 20169 calls) h_psi:vnl : 35.78s CPU 35.54s WALL ( 20169 calls) add_vuspsi : 17.24s CPU 17.05s WALL ( 20169 calls) General routines calbec : 18.47s CPU 18.43s WALL ( 20169 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 312.19s CPU 315.71s WALL ( 1886356 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.29s CPU 0.39s WALL ( 724 calls) Parallel routines fft_scatter : 69.36s CPU 71.02s WALL ( 1886379 calls) PWSCF : 9m50.86s CPU 10m13.99s WALL This run was terminated on: 18:35:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=