Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:49:13 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: ./CaHgO2.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 74 33 10 1857 553 90 Max 75 34 11 1858 571 93 Sum 2671 1201 361 66869 20265 3311 bravais-lattice index = 14 lattice parameter (alat) = 12.3842 a.u. unit-cell volume = 467.4863 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.384232 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.850223 celldm(5)= 0.850223 celldm(6)= 0.850223 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.850223 0.526422 0.000000 ) a(3) = ( 0.850223 0.241904 0.467550 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.615099 -0.982836 ) b(2) = ( 0.000000 1.899617 -0.982836 ) b(3) = ( 0.000000 0.000000 2.138811 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) O 6.00 15.99940 O( 1.00) Ca 10.00 40.07800 Ca( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 340 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0096154 -0.0155298 -0.0094503), wk = 0.0029412 k( 3) = ( 0.0192308 -0.0310596 -0.0189007), wk = 0.0029412 k( 4) = ( 0.0288462 -0.0465894 -0.0283510), wk = 0.0029412 k( 5) = ( 0.0384615 -0.0621192 -0.0378014), wk = 0.0029412 k( 6) = ( 0.0480769 -0.0776490 -0.0472517), wk = 0.0029412 k( 7) = ( 0.0576923 -0.0931788 -0.0567021), wk = 0.0029412 k( 8) = ( 0.0673077 -0.1087086 -0.0661524), wk = 0.0029412 k( 9) = ( 0.0769231 -0.1242384 -0.0756028), wk = 0.0029412 k( 10) = ( 0.0865385 -0.1397682 -0.0850532), wk = 0.0029412 k( 11) = ( 0.0961538 -0.1552980 -0.0945035), wk = 0.0029412 k( 12) = ( 0.1057692 -0.1708277 -0.1039539), wk = 0.0029412 k( 13) = ( 0.1153846 -0.1863575 -0.1134042), wk = 0.0029412 k( 14) = ( 0.1250000 -0.2018873 -0.1228546), wk = 0.0029412 k( 15) = ( 0.1346154 -0.2174171 -0.1323049), wk = 0.0029412 k( 16) = ( 0.1442308 -0.2329469 -0.1417553), wk = 0.0029412 k( 17) = ( 0.1538461 -0.2484767 -0.1512056), wk = 0.0029412 k( 18) = ( 0.1634615 -0.2640065 -0.1606560), wk = 0.0029412 k( 19) = ( 0.1730769 -0.2795363 -0.1701063), wk = 0.0029412 k( 20) = ( 0.1826923 -0.2950661 -0.1795567), wk = 0.0029412 k( 21) = ( 0.1923077 -0.3105959 -0.1890070), wk = 0.0029412 k( 22) = ( 0.2019231 -0.3261257 -0.1984574), wk = 0.0029412 k( 23) = ( 0.2115385 -0.3416555 -0.2079077), wk = 0.0029412 k( 24) = ( 0.2211539 -0.3571853 -0.2173581), wk = 0.0029412 k( 25) = ( 0.2307692 -0.3727151 -0.2268084), wk = 0.0029412 k( 26) = ( 0.2403846 -0.3882449 -0.2362588), wk = 0.0029412 k( 27) = ( 0.2500000 -0.4037747 -0.2457091), wk = 0.0029412 k( 28) = ( 0.2596154 -0.4193045 -0.2551595), wk = 0.0029412 k( 29) = ( 0.2692308 -0.4348343 -0.2646098), wk = 0.0029412 k( 30) = ( 0.2788462 -0.4503641 -0.2740602), wk = 0.0029412 k( 31) = ( 0.2884615 -0.4658939 -0.2835105), wk = 0.0029412 k( 32) = ( 0.2980769 -0.4814236 -0.2929609), wk = 0.0029412 k( 33) = ( 0.3076923 -0.4969534 -0.3024112), wk = 0.0029412 k( 34) = ( 0.3173077 -0.5124832 -0.3118616), wk = 0.0029412 k( 35) = ( 0.3269231 -0.5280130 -0.3213119), wk = 0.0029412 k( 36) = ( 0.3365385 -0.5435428 -0.3307623), wk = 0.0029412 k( 37) = ( 0.3461538 -0.5590726 -0.3402126), wk = 0.0029412 k( 38) = ( 0.3557692 -0.5746024 -0.3496630), wk = 0.0029412 k( 39) = ( 0.3653846 -0.5901322 -0.3591133), wk = 0.0029412 k( 40) = ( 0.3750000 -0.6056620 -0.3685637), wk = 0.0029412 k( 41) = ( 0.3846154 -0.6211918 -0.3780140), wk = 0.0029412 k( 42) = ( 0.3942308 -0.6367216 -0.3874644), wk = 0.0029412 k( 43) = ( 0.4038462 -0.6522514 -0.3969147), wk = 0.0029412 k( 44) = ( 0.4134615 -0.6677812 -0.4063651), wk = 0.0029412 k( 45) = ( 0.4230769 -0.6833110 -0.4158154), wk = 0.0029412 k( 46) = ( 0.4326923 -0.6988408 -0.4252658), wk = 0.0029412 k( 47) = ( 0.4423077 -0.7143706 -0.4347161), wk = 0.0029412 k( 48) = ( 0.4519231 -0.7299004 -0.4441665), wk = 0.0029412 k( 49) = ( 0.4615385 -0.7454302 -0.4536168), wk = 0.0029412 k( 50) = ( 0.4711538 -0.7609600 -0.4630672), wk = 0.0029412 k( 51) = ( 0.4807692 -0.7764898 -0.4725175), wk = 0.0029412 k( 52) = ( 0.4903846 -0.7920196 -0.4819679), wk = 0.0029412 k( 53) = ( 0.5000000 -0.8075493 -0.4914182), wk = 0.0029412 k( 54) = ( 0.5000000 -0.8075493 -0.4914182), wk = 0.0029412 k( 55) = ( 0.5000000 -0.7968911 -0.5089330), wk = 0.0029412 k( 56) = ( 0.5000000 -0.7862328 -0.5264477), wk = 0.0029412 k( 57) = ( 0.5000000 -0.7755746 -0.5439625), wk = 0.0029412 k( 58) = ( 0.5000000 -0.7649163 -0.5614772), wk = 0.0029412 k( 59) = ( 0.5000000 -0.7542580 -0.5789920), wk = 0.0029412 k( 60) = ( 0.5000000 -0.7435998 -0.5965068), wk = 0.0029412 k( 61) = ( 0.5000000 -0.7329415 -0.6140216), wk = 0.0029412 k( 62) = ( 0.5000000 -0.7222832 -0.6315363), wk = 0.0029412 k( 63) = ( 0.5000000 -0.7116250 -0.6490511), wk = 0.0029412 k( 64) = ( 0.5000000 -0.7009667 -0.6665658), wk = 0.0029412 k( 65) = ( 0.5000000 -0.6903085 -0.6840806), wk = 0.0029412 k( 66) = ( 0.5000000 -0.6796502 -0.7015953), wk = 0.0029412 k( 67) = ( 0.5000000 -0.6689919 -0.7191101), wk = 0.0029412 k( 68) = ( 0.5000000 -0.6583337 -0.7366249), wk = 0.0029412 k( 69) = ( 0.5000000 -0.6476754 -0.7541396), wk = 0.0029412 k( 70) = ( 0.5000000 -0.6370171 -0.7716544), wk = 0.0029412 k( 71) = ( 0.5000000 -0.6263589 -0.7891692), wk = 0.0029412 k( 72) = ( 0.5000000 -0.6157006 -0.8066839), wk = 0.0029412 k( 73) = ( 0.5000000 -0.6050424 -0.8241987), wk = 0.0029412 k( 74) = ( 0.5000000 -0.5943841 -0.8417134), wk = 0.0029412 k( 75) = ( 0.5000000 -0.5837258 -0.8592282), wk = 0.0029412 k( 76) = ( 0.5000000 -0.5730676 -0.8767430), wk = 0.0029412 k( 77) = ( 0.5000000 -0.5624093 -0.8942577), wk = 0.0029412 k( 78) = ( 0.5000000 -0.5517510 -0.9117725), wk = 0.0029412 k( 79) = ( 0.5000000 -0.5410928 -0.9292873), wk = 0.0029412 k( 80) = ( 0.5000000 -0.5304345 -0.9468020), wk = 0.0029412 k( 81) = ( 0.5000000 -0.5197763 -0.9643168), wk = 0.0029412 k( 82) = ( 0.5000000 -0.5091180 -0.9818315), wk = 0.0029412 k( 83) = ( 0.5000000 -0.4984597 -0.9993463), wk = 0.0029412 k( 84) = ( 0.5000000 -0.4878015 -1.0168611), wk = 0.0029412 k( 85) = ( 0.5000000 -0.4771432 -1.0343758), wk = 0.0029412 k( 86) = ( 0.5000000 -0.4664849 -1.0518906), wk = 0.0029412 k( 87) = ( 0.5000000 -0.4558267 -1.0694054), wk = 0.0029412 k( 88) = ( 0.8148455 -0.3662475 -0.8962675), wk = 0.0029412 k( 89) = ( 0.8092232 -0.3571670 -0.8787169), wk = 0.0029412 k( 90) = ( 0.8036010 -0.3480865 -0.8611662), wk = 0.0029412 k( 91) = ( 0.7979787 -0.3390060 -0.8436156), wk = 0.0029412 k( 92) = ( 0.7923565 -0.3299256 -0.8260649), wk = 0.0029412 k( 93) = ( 0.7867343 -0.3208451 -0.8085143), wk = 0.0029412 k( 94) = ( 0.7811120 -0.3117646 -0.7909636), wk = 0.0029412 k( 95) = ( 0.7754898 -0.3026842 -0.7734130), wk = 0.0029412 k( 96) = ( 0.7698675 -0.2936037 -0.7558623), wk = 0.0029412 k( 97) = ( 0.7642453 -0.2845232 -0.7383117), wk = 0.0029412 k( 98) = ( 0.7586231 -0.2754427 -0.7207610), wk = 0.0029412 k( 99) = ( 0.7530008 -0.2663623 -0.7032104), wk = 0.0029412 k( 100) = ( 0.7473786 -0.2572818 -0.6856597), wk = 0.0029412 k( 101) = ( 0.7417563 -0.2482013 -0.6681091), wk = 0.0029412 k( 102) = ( 0.7361341 -0.2391208 -0.6505584), wk = 0.0029412 k( 103) = ( 0.7305118 -0.2300404 -0.6330077), wk = 0.0029412 k( 104) = ( 0.7248896 -0.2209599 -0.6154571), wk = 0.0029412 k( 105) = ( 0.7192674 -0.2118794 -0.5979064), wk = 0.0029412 k( 106) = ( 0.7136451 -0.2027989 -0.5803558), wk = 0.0029412 k( 107) = ( 0.7080229 -0.1937185 -0.5628051), wk = 0.0029412 k( 108) = ( 0.7024006 -0.1846380 -0.5452545), wk = 0.0029412 k( 109) = ( 0.6967784 -0.1755575 -0.5277038), wk = 0.0029412 k( 110) = ( 0.6911562 -0.1664771 -0.5101532), wk = 0.0029412 k( 111) = ( 0.6855339 -0.1573966 -0.4926025), wk = 0.0029412 k( 112) = ( 0.6799117 -0.1483161 -0.4750519), wk = 0.0029412 k( 113) = ( 0.6742894 -0.1392356 -0.4575012), wk = 0.0029412 k( 114) = ( 0.6686672 -0.1301552 -0.4399506), wk = 0.0029412 k( 115) = ( 0.6630450 -0.1210747 -0.4223999), wk = 0.0029412 k( 116) = ( 0.6574227 -0.1119942 -0.4048493), wk = 0.0029412 k( 117) = ( 0.6518005 -0.1029137 -0.3872986), wk = 0.0029412 k( 118) = ( 0.6461782 -0.0938333 -0.3697480), wk = 0.0029412 k( 119) = ( 0.6405560 -0.0847528 -0.3521973), wk = 0.0029412 k( 120) = ( 0.6349338 -0.0756723 -0.3346467), wk = 0.0029412 k( 121) = ( 0.6293115 -0.0665919 -0.3170960), wk = 0.0029412 k( 122) = ( 0.6236893 -0.0575114 -0.2995454), wk = 0.0029412 k( 123) = ( 0.6180670 -0.0484309 -0.2819947), wk = 0.0029412 k( 124) = ( 0.6124448 -0.0393504 -0.2644441), wk = 0.0029412 k( 125) = ( 0.6068226 -0.0302700 -0.2468934), wk = 0.0029412 k( 126) = ( 0.6012003 -0.0211895 -0.2293428), wk = 0.0029412 k( 127) = ( 0.5955781 -0.0121090 -0.2117921), wk = 0.0029412 k( 128) = ( 0.5899558 -0.0030285 -0.1942415), wk = 0.0029412 k( 129) = ( 0.5843336 0.0060519 -0.1766908), wk = 0.0029412 k( 130) = ( 0.5787114 0.0151324 -0.1591402), wk = 0.0029412 k( 131) = ( 0.5730891 0.0242129 -0.1415895), wk = 0.0029412 k( 132) = ( 0.5674669 0.0332934 -0.1240389), wk = 0.0029412 k( 133) = ( 0.5618446 0.0423738 -0.1064882), wk = 0.0029412 k( 134) = ( 0.5562224 0.0514543 -0.0889376), wk = 0.0029412 k( 135) = ( 0.5506002 0.0605348 -0.0713869), wk = 0.0029412 k( 136) = ( 0.5449779 0.0696152 -0.0538363), wk = 0.0029412 k( 137) = ( 0.5393557 0.0786957 -0.0362856), wk = 0.0029412 k( 138) = ( 0.5337334 0.0877762 -0.0187350), wk = 0.0029412 k( 139) = ( 0.5281112 0.0968567 -0.0011843), wk = 0.0029412 k( 140) = ( 0.5224890 0.1059371 0.0163663), wk = 0.0029412 k( 141) = ( 0.5168667 0.1150176 0.0339170), wk = 0.0029412 k( 142) = ( 0.5112445 0.1240981 0.0514676), wk = 0.0029412 k( 143) = ( 0.5056222 0.1331786 0.0690183), wk = 0.0029412 k( 144) = ( 0.5000000 0.1422590 0.0865689), wk = 0.0029412 k( 145) = ( 0.5000000 0.1422590 0.0865689), wk = 0.0029412 k( 146) = ( 0.4807692 0.1367875 0.0832393), wk = 0.0029412 k( 147) = ( 0.4615385 0.1313160 0.0799098), wk = 0.0029412 k( 148) = ( 0.4423077 0.1258445 0.0765802), wk = 0.0029412 k( 149) = ( 0.4230769 0.1203730 0.0732506), wk = 0.0029412 k( 150) = ( 0.4038462 0.1149015 0.0699211), wk = 0.0029412 k( 151) = ( 0.3846154 0.1094300 0.0665915), wk = 0.0029412 k( 152) = ( 0.3653846 0.1039585 0.0632619), wk = 0.0029412 k( 153) = ( 0.3461538 0.0984870 0.0599323), wk = 0.0029412 k( 154) = ( 0.3269231 0.0930155 0.0566028), wk = 0.0029412 k( 155) = ( 0.3076923 0.0875440 0.0532732), wk = 0.0029412 k( 156) = ( 0.2884615 0.0820725 0.0499436), wk = 0.0029412 k( 157) = ( 0.2692308 0.0766010 0.0466140), wk = 0.0029412 k( 158) = ( 0.2500000 0.0711295 0.0432845), wk = 0.0029412 k( 159) = ( 0.2307692 0.0656580 0.0399549), wk = 0.0029412 k( 160) = ( 0.2115385 0.0601865 0.0366253), wk = 0.0029412 k( 161) = ( 0.1923077 0.0547150 0.0332957), wk = 0.0029412 k( 162) = ( 0.1730769 0.0492435 0.0299662), wk = 0.0029412 k( 163) = ( 0.1538461 0.0437720 0.0266366), wk = 0.0029412 k( 164) = ( 0.1346154 0.0383005 0.0233070), wk = 0.0029412 k( 165) = ( 0.1153846 0.0328290 0.0199774), wk = 0.0029412 k( 166) = ( 0.0961538 0.0273575 0.0166479), wk = 0.0029412 k( 167) = ( 0.0769231 0.0218860 0.0133183), wk = 0.0029412 k( 168) = ( 0.0576923 0.0164145 0.0099887), wk = 0.0029412 k( 169) = ( 0.0384615 0.0109430 0.0066591), wk = 0.0029412 k( 170) = ( 0.0192308 0.0054715 0.0033296), wk = 0.0029412 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 173) = ( 0.0056160 -0.0090704 -0.0175312), wk = 0.0029412 k( 174) = ( 0.0112320 -0.0181409 -0.0350625), wk = 0.0029412 k( 175) = ( 0.0168481 -0.0272113 -0.0525937), wk = 0.0029412 k( 176) = ( 0.0224641 -0.0362817 -0.0701249), wk = 0.0029412 k( 177) = ( 0.0280801 -0.0453521 -0.0876562), wk = 0.0029412 k( 178) = ( 0.0336961 -0.0544226 -0.1051874), wk = 0.0029412 k( 179) = ( 0.0393121 -0.0634930 -0.1227187), wk = 0.0029412 k( 180) = ( 0.0449282 -0.0725634 -0.1402499), wk = 0.0029412 k( 181) = ( 0.0505442 -0.0816339 -0.1577811), wk = 0.0029412 k( 182) = ( 0.0561602 -0.0907043 -0.1753124), wk = 0.0029412 k( 183) = ( 0.0617762 -0.0997747 -0.1928436), wk = 0.0029412 k( 184) = ( 0.0673923 -0.1088451 -0.2103748), wk = 0.0029412 k( 185) = ( 0.0730083 -0.1179156 -0.2279061), wk = 0.0029412 k( 186) = ( 0.0786243 -0.1269860 -0.2454373), wk = 0.0029412 k( 187) = ( 0.0842403 -0.1360564 -0.2629685), wk = 0.0029412 k( 188) = ( 0.0898563 -0.1451268 -0.2804998), wk = 0.0029412 k( 189) = ( 0.0954723 -0.1541973 -0.2980310), wk = 0.0029412 k( 190) = ( 0.1010884 -0.1632677 -0.3155622), wk = 0.0029412 k( 191) = ( 0.1067044 -0.1723381 -0.3330935), wk = 0.0029412 k( 192) = ( 0.1123204 -0.1814086 -0.3506247), wk = 0.0029412 k( 193) = ( 0.1179364 -0.1904790 -0.3681560), wk = 0.0029412 k( 194) = ( 0.1235525 -0.1995494 -0.3856872), wk = 0.0029412 k( 195) = ( 0.1291685 -0.2086198 -0.4032184), wk = 0.0029412 k( 196) = ( 0.1347845 -0.2176903 -0.4207496), wk = 0.0029412 k( 197) = ( 0.1404005 -0.2267607 -0.4382809), wk = 0.0029412 k( 198) = ( 0.1460165 -0.2358311 -0.4558121), wk = 0.0029412 k( 199) = ( 0.1516326 -0.2449015 -0.4733433), wk = 0.0029412 k( 200) = ( 0.1572486 -0.2539720 -0.4908746), wk = 0.0029412 k( 201) = ( 0.1628646 -0.2630424 -0.5084058), wk = 0.0029412 k( 202) = ( 0.1684806 -0.2721128 -0.5259370), wk = 0.0029412 k( 203) = ( 0.1740966 -0.2811833 -0.5434683), wk = 0.0029412 k( 204) = ( 0.1797127 -0.2902537 -0.5609995), wk = 0.0029412 k( 205) = ( 0.1853287 -0.2993241 -0.5785308), wk = 0.0029412 k( 206) = ( 0.1909447 -0.3083946 -0.5960620), wk = 0.0029412 k( 207) = ( 0.1965607 -0.3174650 -0.6135932), wk = 0.0029412 k( 208) = ( 0.2021767 -0.3265354 -0.6311245), wk = 0.0029412 k( 209) = ( 0.2077928 -0.3356058 -0.6486557), wk = 0.0029412 k( 210) = ( 0.2134088 -0.3446763 -0.6661869), wk = 0.0029412 k( 211) = ( 0.2190248 -0.3537467 -0.6837182), wk = 0.0029412 k( 212) = ( 0.2246408 -0.3628171 -0.7012494), wk = 0.0029412 k( 213) = ( 0.2302569 -0.3718875 -0.7187806), wk = 0.0029412 k( 214) = ( 0.2358729 -0.3809580 -0.7363119), wk = 0.0029412 k( 215) = ( 0.2414889 -0.3900284 -0.7538431), wk = 0.0029412 k( 216) = ( 0.2471049 -0.3990988 -0.7713744), wk = 0.0029412 k( 217) = ( 0.2527209 -0.4081693 -0.7889056), wk = 0.0029412 k( 218) = ( 0.2583370 -0.4172397 -0.8064368), wk = 0.0029412 k( 219) = ( 0.2639530 -0.4263101 -0.8239681), wk = 0.0029412 k( 220) = ( 0.2695690 -0.4353805 -0.8414993), wk = 0.0029412 k( 221) = ( 0.2751850 -0.4444510 -0.8590305), wk = 0.0029412 k( 222) = ( 0.2808010 -0.4535214 -0.8765618), wk = 0.0029412 k( 223) = ( 0.2864171 -0.4625918 -0.8940930), wk = 0.0029412 k( 224) = ( 0.2920331 -0.4716622 -0.9116242), wk = 0.0029412 k( 225) = ( 0.2976491 -0.4807327 -0.9291555), wk = 0.0029412 k( 226) = ( 0.3032651 -0.4898031 -0.9466867), wk = 0.0029412 k( 227) = ( 0.3088811 -0.4988735 -0.9642179), wk = 0.0029412 k( 228) = ( 0.3144972 -0.5079440 -0.9817492), wk = 0.0029412 k( 229) = ( 0.3201132 -0.5170144 -0.9992804), wk = 0.0029412 k( 230) = ( 0.3257292 -0.5260848 -1.0168117), wk = 0.0029412 k( 231) = ( 0.3313452 -0.5351552 -1.0343429), wk = 0.0029412 k( 232) = ( 0.3369612 -0.5442257 -1.0518741), wk = 0.0029412 k( 233) = ( 0.3425773 -0.5532961 -1.0694054), wk = 0.0029412 k( 234) = ( 0.6574227 -0.4110371 -0.9828364), wk = 0.0029412 k( 235) = ( 0.6518005 -0.3912765 -0.9828364), wk = 0.0029412 k( 236) = ( 0.6461782 -0.3715159 -0.9828364), wk = 0.0029412 k( 237) = ( 0.6405560 -0.3517554 -0.9828364), wk = 0.0029412 k( 238) = ( 0.6349338 -0.3319948 -0.9828364), wk = 0.0029412 k( 239) = ( 0.6293115 -0.3122342 -0.9828364), wk = 0.0029412 k( 240) = ( 0.6236893 -0.2924736 -0.9828364), wk = 0.0029412 k( 241) = ( 0.6180670 -0.2727131 -0.9828364), wk = 0.0029412 k( 242) = ( 0.6124448 -0.2529525 -0.9828364), wk = 0.0029412 k( 243) = ( 0.6068226 -0.2331919 -0.9828364), wk = 0.0029412 k( 244) = ( 0.6012003 -0.2134313 -0.9828364), wk = 0.0029412 k( 245) = ( 0.5955781 -0.1936708 -0.9828364), wk = 0.0029412 k( 246) = ( 0.5899558 -0.1739102 -0.9828364), wk = 0.0029412 k( 247) = ( 0.5843336 -0.1541496 -0.9828364), wk = 0.0029412 k( 248) = ( 0.5787114 -0.1343890 -0.9828364), wk = 0.0029412 k( 249) = ( 0.5730891 -0.1146284 -0.9828364), wk = 0.0029412 k( 250) = ( 0.5674669 -0.0948679 -0.9828364), wk = 0.0029412 k( 251) = ( 0.5618446 -0.0751073 -0.9828364), wk = 0.0029412 k( 252) = ( 0.5562224 -0.0553467 -0.9828364), wk = 0.0029412 k( 253) = ( 0.5506002 -0.0355861 -0.9828364), wk = 0.0029412 k( 254) = ( 0.5449779 -0.0158256 -0.9828364), wk = 0.0029412 k( 255) = ( 0.5393557 0.0039350 -0.9828364), wk = 0.0029412 k( 256) = ( 0.5337334 0.0236956 -0.9828364), wk = 0.0029412 k( 257) = ( 0.5281112 0.0434562 -0.9828364), wk = 0.0029412 k( 258) = ( 0.5224890 0.0632167 -0.9828364), wk = 0.0029412 k( 259) = ( 0.5168667 0.0829773 -0.9828364), wk = 0.0029412 k( 260) = ( 0.5112445 0.1027379 -0.9828364), wk = 0.0029412 k( 261) = ( 0.5056222 0.1224985 -0.9828364), wk = 0.0029412 k( 262) = ( 0.5000000 0.1422590 -0.9828364), wk = 0.0029412 k( 263) = ( 0.5000000 0.1422590 -0.9828364), wk = 0.0029412 k( 264) = ( 0.5174914 0.1472356 -0.9732176), wk = 0.0029412 k( 265) = ( 0.5349828 0.1522123 -0.9635989), wk = 0.0029412 k( 266) = ( 0.5524742 0.1571889 -0.9539801), wk = 0.0029412 k( 267) = ( 0.5699657 0.1621655 -0.9443613), wk = 0.0029412 k( 268) = ( 0.5874571 0.1671421 -0.9347426), wk = 0.0029412 k( 269) = ( 0.6049485 0.1721188 -0.9251238), wk = 0.0029412 k( 270) = ( 0.6224399 0.1770954 -0.9155050), wk = 0.0029412 k( 271) = ( 0.6399313 0.1820720 -0.9058863), wk = 0.0029412 k( 272) = ( 0.6574227 0.1870486 -0.8962675), wk = 0.0029412 k( 273) = ( 0.6574227 0.1870486 -0.8962675), wk = 0.0029412 k( 274) = ( 0.6541431 0.1861155 -0.8757917), wk = 0.0029412 k( 275) = ( 0.6508635 0.1851824 -0.8553160), wk = 0.0029412 k( 276) = ( 0.6475838 0.1842493 -0.8348402), wk = 0.0029412 k( 277) = ( 0.6443042 0.1833162 -0.8143645), wk = 0.0029412 k( 278) = ( 0.6410245 0.1823831 -0.7938887), wk = 0.0029412 k( 279) = ( 0.6377449 0.1814499 -0.7734130), wk = 0.0029412 k( 280) = ( 0.6344652 0.1805168 -0.7529372), wk = 0.0029412 k( 281) = ( 0.6311856 0.1795837 -0.7324614), wk = 0.0029412 k( 282) = ( 0.6279060 0.1786506 -0.7119857), wk = 0.0029412 k( 283) = ( 0.6246263 0.1777175 -0.6915099), wk = 0.0029412 k( 284) = ( 0.6213467 0.1767844 -0.6710342), wk = 0.0029412 k( 285) = ( 0.6180670 0.1758512 -0.6505584), wk = 0.0029412 k( 286) = ( 0.6147874 0.1749181 -0.6300826), wk = 0.0029412 k( 287) = ( 0.6115078 0.1739850 -0.6096069), wk = 0.0029412 k( 288) = ( 0.6082281 0.1730519 -0.5891311), wk = 0.0029412 k( 289) = ( 0.6049485 0.1721188 -0.5686554), wk = 0.0029412 k( 290) = ( 0.6016689 0.1711857 -0.5481796), wk = 0.0029412 k( 291) = ( 0.5983892 0.1702525 -0.5277038), wk = 0.0029412 k( 292) = ( 0.5951096 0.1693194 -0.5072281), wk = 0.0029412 k( 293) = ( 0.5918299 0.1683863 -0.4867523), wk = 0.0029412 k( 294) = ( 0.5885503 0.1674532 -0.4662766), wk = 0.0029412 k( 295) = ( 0.5852707 0.1665201 -0.4458008), wk = 0.0029412 k( 296) = ( 0.5819910 0.1655869 -0.4253251), wk = 0.0029412 k( 297) = ( 0.5787114 0.1646538 -0.4048493), wk = 0.0029412 k( 298) = ( 0.5754317 0.1637207 -0.3843735), wk = 0.0029412 k( 299) = ( 0.5721521 0.1627876 -0.3638978), wk = 0.0029412 k( 300) = ( 0.5688724 0.1618545 -0.3434220), wk = 0.0029412 k( 301) = ( 0.5655928 0.1609214 -0.3229463), wk = 0.0029412 k( 302) = ( 0.5623132 0.1599882 -0.3024705), wk = 0.0029412 k( 303) = ( 0.5590335 0.1590551 -0.2819947), wk = 0.0029412 k( 304) = ( 0.5557539 0.1581220 -0.2615190), wk = 0.0029412 k( 305) = ( 0.5524742 0.1571889 -0.2410432), wk = 0.0029412 k( 306) = ( 0.5491946 0.1562558 -0.2205675), wk = 0.0029412 k( 307) = ( 0.5459150 0.1553227 -0.2000917), wk = 0.0029412 k( 308) = ( 0.5426353 0.1543895 -0.1796159), wk = 0.0029412 k( 309) = ( 0.5393557 0.1534564 -0.1591402), wk = 0.0029412 k( 310) = ( 0.5360760 0.1525233 -0.1386644), wk = 0.0029412 k( 311) = ( 0.5327964 0.1515902 -0.1181887), wk = 0.0029412 k( 312) = ( 0.5295168 0.1506571 -0.0977129), wk = 0.0029412 k( 313) = ( 0.5262371 0.1497240 -0.0772371), wk = 0.0029412 k( 314) = ( 0.5229575 0.1487908 -0.0567614), wk = 0.0029412 k( 315) = ( 0.5196778 0.1478577 -0.0362856), wk = 0.0029412 k( 316) = ( 0.5163982 0.1469246 -0.0158099), wk = 0.0029412 k( 317) = ( 0.5131186 0.1459915 0.0046659), wk = 0.0029412 k( 318) = ( 0.5098389 0.1450584 0.0251417), wk = 0.0029412 k( 319) = ( 0.5065593 0.1441253 0.0456174), wk = 0.0029412 k( 320) = ( 0.5032796 0.1431921 0.0660932), wk = 0.0029412 k( 321) = ( 0.5000000 0.1422590 0.0865689), wk = 0.0029412 k( 322) = ( 0.5000000 -0.8075493 -0.4914182), wk = 0.0029412 k( 323) = ( 0.5174914 -0.7996461 -0.4866088), wk = 0.0029412 k( 324) = ( 0.5349828 -0.7917428 -0.4817994), wk = 0.0029412 k( 325) = ( 0.5524742 -0.7838395 -0.4769901), wk = 0.0029412 k( 326) = ( 0.5699657 -0.7759362 -0.4721807), wk = 0.0029412 k( 327) = ( 0.5874571 -0.7680330 -0.4673713), wk = 0.0029412 k( 328) = ( 0.6049485 -0.7601297 -0.4625619), wk = 0.0029412 k( 329) = ( 0.6224399 -0.7522264 -0.4577525), wk = 0.0029412 k( 330) = ( 0.6399313 -0.7443231 -0.4529431), wk = 0.0029412 k( 331) = ( 0.6574227 -0.7364198 -0.4481338), wk = 0.0029412 k( 332) = ( 0.6749141 -0.7285165 -0.4433244), wk = 0.0029412 k( 333) = ( 0.6924056 -0.7206133 -0.4385150), wk = 0.0029412 k( 334) = ( 0.7098970 -0.7127100 -0.4337056), wk = 0.0029412 k( 335) = ( 0.7273884 -0.7048067 -0.4288962), wk = 0.0029412 k( 336) = ( 0.7448798 -0.6969034 -0.4240868), wk = 0.0029412 k( 337) = ( 0.7623712 -0.6890002 -0.4192774), wk = 0.0029412 k( 338) = ( 0.7798626 -0.6810969 -0.4144681), wk = 0.0029412 k( 339) = ( 0.7973541 -0.6731936 -0.4096587), wk = 0.0029412 k( 340) = ( 0.8148455 -0.6652903 -0.4048493), wk = 0.0029412 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0096154 -0.0000000 0.0000000), wk = 0.0029412 k( 3) = ( 0.0192308 -0.0000000 0.0000000), wk = 0.0029412 k( 4) = ( 0.0288462 -0.0000000 -0.0000000), wk = 0.0029412 k( 5) = ( 0.0384615 -0.0000000 0.0000000), wk = 0.0029412 k( 6) = ( 0.0480769 0.0000000 -0.0000000), wk = 0.0029412 k( 7) = ( 0.0576923 -0.0000000 0.0000000), wk = 0.0029412 k( 8) = ( 0.0673077 0.0000000 -0.0000000), wk = 0.0029412 k( 9) = ( 0.0769231 -0.0000000 0.0000000), wk = 0.0029412 k( 10) = ( 0.0865385 0.0000000 0.0000000), wk = 0.0029412 k( 11) = ( 0.0961538 -0.0000000 0.0000000), wk = 0.0029412 k( 12) = ( 0.1057692 -0.0000000 -0.0000000), wk = 0.0029412 k( 13) = ( 0.1153846 -0.0000000 0.0000000), wk = 0.0029412 k( 14) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0029412 k( 15) = ( 0.1346154 0.0000000 -0.0000000), wk = 0.0029412 k( 16) = ( 0.1442308 -0.0000000 -0.0000000), wk = 0.0029412 k( 17) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0029412 k( 18) = ( 0.1634615 0.0000000 -0.0000000), wk = 0.0029412 k( 19) = ( 0.1730769 0.0000000 0.0000000), wk = 0.0029412 k( 20) = ( 0.1826923 0.0000000 -0.0000000), wk = 0.0029412 k( 21) = ( 0.1923077 -0.0000000 0.0000000), wk = 0.0029412 k( 22) = ( 0.2019231 -0.0000000 -0.0000000), wk = 0.0029412 k( 23) = ( 0.2115385 -0.0000000 -0.0000000), wk = 0.0029412 k( 24) = ( 0.2211539 -0.0000000 -0.0000000), wk = 0.0029412 k( 25) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0029412 k( 26) = ( 0.2403846 -0.0000000 -0.0000000), wk = 0.0029412 k( 27) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0029412 k( 28) = ( 0.2596154 -0.0000000 -0.0000000), wk = 0.0029412 k( 29) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0029412 k( 30) = ( 0.2788462 -0.0000000 -0.0000000), wk = 0.0029412 k( 31) = ( 0.2884615 -0.0000000 -0.0000000), wk = 0.0029412 k( 32) = ( 0.2980769 -0.0000000 -0.0000000), wk = 0.0029412 k( 33) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0029412 k( 34) = ( 0.3173077 0.0000000 -0.0000000), wk = 0.0029412 k( 35) = ( 0.3269231 0.0000000 -0.0000000), wk = 0.0029412 k( 36) = ( 0.3365385 -0.0000000 -0.0000000), wk = 0.0029412 k( 37) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0029412 k( 38) = ( 0.3557692 0.0000000 -0.0000000), wk = 0.0029412 k( 39) = ( 0.3653846 0.0000000 -0.0000000), wk = 0.0029412 k( 40) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0029412 k( 41) = ( 0.3846154 -0.0000000 0.0000000), wk = 0.0029412 k( 42) = ( 0.3942308 -0.0000000 0.0000000), wk = 0.0029412 k( 43) = ( 0.4038462 -0.0000000 -0.0000000), wk = 0.0029412 k( 44) = ( 0.4134615 -0.0000000 -0.0000000), wk = 0.0029412 k( 45) = ( 0.4230769 -0.0000000 -0.0000000), wk = 0.0029412 k( 46) = ( 0.4326923 -0.0000000 -0.0000000), wk = 0.0029412 k( 47) = ( 0.4423077 -0.0000000 -0.0000000), wk = 0.0029412 k( 48) = ( 0.4519231 -0.0000000 -0.0000000), wk = 0.0029412 k( 49) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0029412 k( 50) = ( 0.4711538 -0.0000000 -0.0000000), wk = 0.0029412 k( 51) = ( 0.4807692 -0.0000000 -0.0000000), wk = 0.0029412 k( 52) = ( 0.4903846 0.0000000 -0.0000000), wk = 0.0029412 k( 53) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029412 k( 54) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029412 k( 55) = ( 0.5000000 0.0056107 -0.0056107), wk = 0.0029412 k( 56) = ( 0.5000000 0.0112215 -0.0112215), wk = 0.0029412 k( 57) = ( 0.5000000 0.0168322 -0.0168322), wk = 0.0029412 k( 58) = ( 0.5000000 0.0224430 -0.0224430), wk = 0.0029412 k( 59) = ( 0.5000000 0.0280537 -0.0280537), wk = 0.0029412 k( 60) = ( 0.5000000 0.0336645 -0.0336645), wk = 0.0029412 k( 61) = ( 0.5000000 0.0392752 -0.0392752), wk = 0.0029412 k( 62) = ( 0.5000000 0.0448860 -0.0448860), wk = 0.0029412 k( 63) = ( 0.5000000 0.0504967 -0.0504967), wk = 0.0029412 k( 64) = ( 0.5000000 0.0561074 -0.0561074), wk = 0.0029412 k( 65) = ( 0.5000000 0.0617182 -0.0617182), wk = 0.0029412 k( 66) = ( 0.5000000 0.0673289 -0.0673289), wk = 0.0029412 k( 67) = ( 0.5000000 0.0729397 -0.0729397), wk = 0.0029412 k( 68) = ( 0.5000000 0.0785504 -0.0785504), wk = 0.0029412 k( 69) = ( 0.5000000 0.0841611 -0.0841611), wk = 0.0029412 k( 70) = ( 0.5000000 0.0897719 -0.0897719), wk = 0.0029412 k( 71) = ( 0.5000000 0.0953826 -0.0953826), wk = 0.0029412 k( 72) = ( 0.5000000 0.1009934 -0.1009934), wk = 0.0029412 k( 73) = ( 0.5000000 0.1066041 -0.1066041), wk = 0.0029412 k( 74) = ( 0.5000000 0.1122149 -0.1122149), wk = 0.0029412 k( 75) = ( 0.5000000 0.1178256 -0.1178256), wk = 0.0029412 k( 76) = ( 0.5000000 0.1234364 -0.1234364), wk = 0.0029412 k( 77) = ( 0.5000000 0.1290471 -0.1290471), wk = 0.0029412 k( 78) = ( 0.5000000 0.1346578 -0.1346578), wk = 0.0029412 k( 79) = ( 0.5000000 0.1402686 -0.1402686), wk = 0.0029412 k( 80) = ( 0.5000000 0.1458793 -0.1458793), wk = 0.0029412 k( 81) = ( 0.5000000 0.1514901 -0.1514901), wk = 0.0029412 k( 82) = ( 0.5000000 0.1571008 -0.1571008), wk = 0.0029412 k( 83) = ( 0.5000000 0.1627116 -0.1627116), wk = 0.0029412 k( 84) = ( 0.5000000 0.1683223 -0.1683223), wk = 0.0029412 k( 85) = ( 0.5000000 0.1739330 -0.1739331), wk = 0.0029412 k( 86) = ( 0.5000000 0.1795438 -0.1795438), wk = 0.0029412 k( 87) = ( 0.5000000 0.1851545 -0.1851545), wk = 0.0029412 k( 88) = ( 0.8148455 0.5000000 0.1851545), wk = 0.0029412 k( 89) = ( 0.8092232 0.5000000 0.1907768), wk = 0.0029412 k( 90) = ( 0.8036010 0.5000000 0.1963990), wk = 0.0029412 k( 91) = ( 0.7979787 0.5000000 0.2020213), wk = 0.0029412 k( 92) = ( 0.7923565 0.5000000 0.2076435), wk = 0.0029412 k( 93) = ( 0.7867343 0.5000000 0.2132657), wk = 0.0029412 k( 94) = ( 0.7811120 0.5000000 0.2188880), wk = 0.0029412 k( 95) = ( 0.7754898 0.5000000 0.2245102), wk = 0.0029412 k( 96) = ( 0.7698675 0.5000000 0.2301325), wk = 0.0029412 k( 97) = ( 0.7642453 0.5000000 0.2357547), wk = 0.0029412 k( 98) = ( 0.7586231 0.5000000 0.2413769), wk = 0.0029412 k( 99) = ( 0.7530008 0.5000000 0.2469992), wk = 0.0029412 k( 100) = ( 0.7473786 0.5000000 0.2526214), wk = 0.0029412 k( 101) = ( 0.7417563 0.5000000 0.2582437), wk = 0.0029412 k( 102) = ( 0.7361341 0.5000000 0.2638659), wk = 0.0029412 k( 103) = ( 0.7305118 0.5000000 0.2694881), wk = 0.0029412 k( 104) = ( 0.7248896 0.5000000 0.2751104), wk = 0.0029412 k( 105) = ( 0.7192674 0.5000000 0.2807326), wk = 0.0029412 k( 106) = ( 0.7136451 0.5000000 0.2863549), wk = 0.0029412 k( 107) = ( 0.7080229 0.5000000 0.2919771), wk = 0.0029412 k( 108) = ( 0.7024006 0.5000000 0.2975993), wk = 0.0029412 k( 109) = ( 0.6967784 0.5000000 0.3032216), wk = 0.0029412 k( 110) = ( 0.6911562 0.5000000 0.3088438), wk = 0.0029412 k( 111) = ( 0.6855339 0.5000000 0.3144661), wk = 0.0029412 k( 112) = ( 0.6799117 0.5000000 0.3200883), wk = 0.0029412 k( 113) = ( 0.6742894 0.5000000 0.3257105), wk = 0.0029412 k( 114) = ( 0.6686672 0.5000000 0.3313328), wk = 0.0029412 k( 115) = ( 0.6630450 0.5000000 0.3369550), wk = 0.0029412 k( 116) = ( 0.6574227 0.5000000 0.3425773), wk = 0.0029412 k( 117) = ( 0.6518005 0.5000000 0.3481995), wk = 0.0029412 k( 118) = ( 0.6461782 0.5000000 0.3538217), wk = 0.0029412 k( 119) = ( 0.6405560 0.5000000 0.3594440), wk = 0.0029412 k( 120) = ( 0.6349338 0.5000000 0.3650662), wk = 0.0029412 k( 121) = ( 0.6293115 0.5000000 0.3706885), wk = 0.0029412 k( 122) = ( 0.6236893 0.5000000 0.3763107), wk = 0.0029412 k( 123) = ( 0.6180670 0.5000000 0.3819329), wk = 0.0029412 k( 124) = ( 0.6124448 0.5000000 0.3875552), wk = 0.0029412 k( 125) = ( 0.6068226 0.5000000 0.3931774), wk = 0.0029412 k( 126) = ( 0.6012003 0.5000000 0.3987997), wk = 0.0029412 k( 127) = ( 0.5955781 0.5000000 0.4044219), wk = 0.0029412 k( 128) = ( 0.5899558 0.5000000 0.4100441), wk = 0.0029412 k( 129) = ( 0.5843336 0.5000000 0.4156664), wk = 0.0029412 k( 130) = ( 0.5787114 0.5000000 0.4212886), wk = 0.0029412 k( 131) = ( 0.5730891 0.5000000 0.4269109), wk = 0.0029412 k( 132) = ( 0.5674669 0.5000000 0.4325331), wk = 0.0029412 k( 133) = ( 0.5618446 0.5000000 0.4381554), wk = 0.0029412 k( 134) = ( 0.5562224 0.5000000 0.4437776), wk = 0.0029412 k( 135) = ( 0.5506002 0.5000000 0.4493998), wk = 0.0029412 k( 136) = ( 0.5449779 0.5000000 0.4550221), wk = 0.0029412 k( 137) = ( 0.5393557 0.5000000 0.4606443), wk = 0.0029412 k( 138) = ( 0.5337334 0.5000000 0.4662666), wk = 0.0029412 k( 139) = ( 0.5281112 0.5000000 0.4718888), wk = 0.0029412 k( 140) = ( 0.5224890 0.5000000 0.4775110), wk = 0.0029412 k( 141) = ( 0.5168667 0.5000000 0.4831333), wk = 0.0029412 k( 142) = ( 0.5112445 0.5000000 0.4887555), wk = 0.0029412 k( 143) = ( 0.5056222 0.5000000 0.4943778), wk = 0.0029412 k( 144) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 145) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 146) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0029412 k( 147) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0029412 k( 148) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0029412 k( 149) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0029412 k( 150) = ( 0.4038462 0.4038461 0.4038461), wk = 0.0029412 k( 151) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0029412 k( 152) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0029412 k( 153) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0029412 k( 154) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0029412 k( 155) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0029412 k( 156) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0029412 k( 157) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0029412 k( 158) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029412 k( 159) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0029412 k( 160) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0029412 k( 161) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0029412 k( 162) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0029412 k( 163) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0029412 k( 164) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0029412 k( 165) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0029412 k( 166) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0029412 k( 167) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0029412 k( 168) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0029412 k( 169) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0029412 k( 170) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0029412 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 173) = ( 0.0056160 -0.0000000 -0.0056160), wk = 0.0029412 k( 174) = ( 0.0112320 -0.0000000 -0.0112320), wk = 0.0029412 k( 175) = ( 0.0168481 0.0000000 -0.0168481), wk = 0.0029412 k( 176) = ( 0.0224641 -0.0000000 -0.0224641), wk = 0.0029412 k( 177) = ( 0.0280801 0.0000000 -0.0280801), wk = 0.0029412 k( 178) = ( 0.0336961 0.0000000 -0.0336961), wk = 0.0029412 k( 179) = ( 0.0393121 0.0000000 -0.0393121), wk = 0.0029412 k( 180) = ( 0.0449282 -0.0000000 -0.0449282), wk = 0.0029412 k( 181) = ( 0.0505442 -0.0000000 -0.0505442), wk = 0.0029412 k( 182) = ( 0.0561602 -0.0000000 -0.0561602), wk = 0.0029412 k( 183) = ( 0.0617762 -0.0000000 -0.0617762), wk = 0.0029412 k( 184) = ( 0.0673923 -0.0000000 -0.0673922), wk = 0.0029412 k( 185) = ( 0.0730083 -0.0000000 -0.0730083), wk = 0.0029412 k( 186) = ( 0.0786243 -0.0000000 -0.0786243), wk = 0.0029412 k( 187) = ( 0.0842403 -0.0000000 -0.0842403), wk = 0.0029412 k( 188) = ( 0.0898563 -0.0000000 -0.0898563), wk = 0.0029412 k( 189) = ( 0.0954723 0.0000000 -0.0954723), wk = 0.0029412 k( 190) = ( 0.1010884 0.0000000 -0.1010884), wk = 0.0029412 k( 191) = ( 0.1067044 0.0000000 -0.1067044), wk = 0.0029412 k( 192) = ( 0.1123204 -0.0000000 -0.1123204), wk = 0.0029412 k( 193) = ( 0.1179364 -0.0000000 -0.1179364), wk = 0.0029412 k( 194) = ( 0.1235525 -0.0000000 -0.1235525), wk = 0.0029412 k( 195) = ( 0.1291685 -0.0000000 -0.1291685), wk = 0.0029412 k( 196) = ( 0.1347845 -0.0000000 -0.1347845), wk = 0.0029412 k( 197) = ( 0.1404005 -0.0000000 -0.1404005), wk = 0.0029412 k( 198) = ( 0.1460165 -0.0000000 -0.1460165), wk = 0.0029412 k( 199) = ( 0.1516326 -0.0000000 -0.1516326), wk = 0.0029412 k( 200) = ( 0.1572486 -0.0000000 -0.1572486), wk = 0.0029412 k( 201) = ( 0.1628646 0.0000000 -0.1628646), wk = 0.0029412 k( 202) = ( 0.1684806 -0.0000000 -0.1684806), wk = 0.0029412 k( 203) = ( 0.1740966 -0.0000000 -0.1740967), wk = 0.0029412 k( 204) = ( 0.1797127 -0.0000000 -0.1797127), wk = 0.0029412 k( 205) = ( 0.1853287 -0.0000000 -0.1853287), wk = 0.0029412 k( 206) = ( 0.1909447 -0.0000000 -0.1909447), wk = 0.0029412 k( 207) = ( 0.1965607 -0.0000000 -0.1965607), wk = 0.0029412 k( 208) = ( 0.2021767 -0.0000000 -0.2021767), wk = 0.0029412 k( 209) = ( 0.2077928 0.0000000 -0.2077928), wk = 0.0029412 k( 210) = ( 0.2134088 -0.0000000 -0.2134088), wk = 0.0029412 k( 211) = ( 0.2190248 -0.0000000 -0.2190248), wk = 0.0029412 k( 212) = ( 0.2246408 -0.0000000 -0.2246408), wk = 0.0029412 k( 213) = ( 0.2302569 -0.0000000 -0.2302568), wk = 0.0029412 k( 214) = ( 0.2358729 -0.0000000 -0.2358729), wk = 0.0029412 k( 215) = ( 0.2414889 0.0000000 -0.2414889), wk = 0.0029412 k( 216) = ( 0.2471049 -0.0000000 -0.2471049), wk = 0.0029412 k( 217) = ( 0.2527209 0.0000000 -0.2527209), wk = 0.0029412 k( 218) = ( 0.2583370 -0.0000000 -0.2583370), wk = 0.0029412 k( 219) = ( 0.2639530 0.0000000 -0.2639530), wk = 0.0029412 k( 220) = ( 0.2695690 -0.0000000 -0.2695690), wk = 0.0029412 k( 221) = ( 0.2751850 -0.0000000 -0.2751850), wk = 0.0029412 k( 222) = ( 0.2808010 -0.0000000 -0.2808010), wk = 0.0029412 k( 223) = ( 0.2864171 -0.0000000 -0.2864171), wk = 0.0029412 k( 224) = ( 0.2920331 -0.0000000 -0.2920331), wk = 0.0029412 k( 225) = ( 0.2976491 -0.0000000 -0.2976491), wk = 0.0029412 k( 226) = ( 0.3032651 -0.0000000 -0.3032651), wk = 0.0029412 k( 227) = ( 0.3088811 -0.0000000 -0.3088811), wk = 0.0029412 k( 228) = ( 0.3144972 0.0000000 -0.3144972), wk = 0.0029412 k( 229) = ( 0.3201132 -0.0000000 -0.3201132), wk = 0.0029412 k( 230) = ( 0.3257292 -0.0000000 -0.3257292), wk = 0.0029412 k( 231) = ( 0.3313452 0.0000000 -0.3313452), wk = 0.0029412 k( 232) = ( 0.3369612 0.0000000 -0.3369612), wk = 0.0029412 k( 233) = ( 0.3425773 -0.0000000 -0.3425773), wk = 0.0029412 k( 234) = ( 0.6574227 0.3425773 -0.0000000), wk = 0.0029412 k( 235) = ( 0.6518005 0.3481995 -0.0000000), wk = 0.0029412 k( 236) = ( 0.6461782 0.3538217 -0.0000000), wk = 0.0029412 k( 237) = ( 0.6405560 0.3594440 -0.0000000), wk = 0.0029412 k( 238) = ( 0.6349338 0.3650662 -0.0000000), wk = 0.0029412 k( 239) = ( 0.6293115 0.3706885 -0.0000000), wk = 0.0029412 k( 240) = ( 0.6236893 0.3763107 -0.0000000), wk = 0.0029412 k( 241) = ( 0.6180670 0.3819329 -0.0000000), wk = 0.0029412 k( 242) = ( 0.6124448 0.3875552 -0.0000000), wk = 0.0029412 k( 243) = ( 0.6068226 0.3931774 -0.0000000), wk = 0.0029412 k( 244) = ( 0.6012003 0.3987997 -0.0000000), wk = 0.0029412 k( 245) = ( 0.5955781 0.4044219 -0.0000000), wk = 0.0029412 k( 246) = ( 0.5899558 0.4100441 -0.0000000), wk = 0.0029412 k( 247) = ( 0.5843336 0.4156664 -0.0000000), wk = 0.0029412 k( 248) = ( 0.5787114 0.4212886 -0.0000000), wk = 0.0029412 k( 249) = ( 0.5730891 0.4269109 -0.0000000), wk = 0.0029412 k( 250) = ( 0.5674669 0.4325331 0.0000000), wk = 0.0029412 k( 251) = ( 0.5618446 0.4381554 -0.0000000), wk = 0.0029412 k( 252) = ( 0.5562224 0.4437776 -0.0000000), wk = 0.0029412 k( 253) = ( 0.5506002 0.4493998 -0.0000000), wk = 0.0029412 k( 254) = ( 0.5449779 0.4550221 -0.0000000), wk = 0.0029412 k( 255) = ( 0.5393557 0.4606443 -0.0000000), wk = 0.0029412 k( 256) = ( 0.5337334 0.4662666 -0.0000000), wk = 0.0029412 k( 257) = ( 0.5281112 0.4718888 0.0000000), wk = 0.0029412 k( 258) = ( 0.5224890 0.4775110 -0.0000000), wk = 0.0029412 k( 259) = ( 0.5168667 0.4831333 -0.0000000), wk = 0.0029412 k( 260) = ( 0.5112445 0.4887555 -0.0000000), wk = 0.0029412 k( 261) = ( 0.5056222 0.4943778 -0.0000000), wk = 0.0029412 k( 262) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 263) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 264) = ( 0.5174914 0.5174914 0.0205727), wk = 0.0029412 k( 265) = ( 0.5349828 0.5349828 0.0411454), wk = 0.0029412 k( 266) = ( 0.5524742 0.5524742 0.0617182), wk = 0.0029412 k( 267) = ( 0.5699657 0.5699657 0.0822909), wk = 0.0029412 k( 268) = ( 0.5874571 0.5874571 0.1028636), wk = 0.0029412 k( 269) = ( 0.6049485 0.6049485 0.1234364), wk = 0.0029412 k( 270) = ( 0.6224399 0.6224399 0.1440091), wk = 0.0029412 k( 271) = ( 0.6399313 0.6399313 0.1645818), wk = 0.0029412 k( 272) = ( 0.6574227 0.6574227 0.1851545), wk = 0.0029412 k( 273) = ( 0.6574227 0.6574227 0.1851545), wk = 0.0029412 k( 274) = ( 0.6541431 0.6541431 0.1917138), wk = 0.0029412 k( 275) = ( 0.6508635 0.6508635 0.1982731), wk = 0.0029412 k( 276) = ( 0.6475838 0.6475838 0.2048324), wk = 0.0029412 k( 277) = ( 0.6443042 0.6443042 0.2113917), wk = 0.0029412 k( 278) = ( 0.6410245 0.6410245 0.2179509), wk = 0.0029412 k( 279) = ( 0.6377449 0.6377449 0.2245102), wk = 0.0029412 k( 280) = ( 0.6344652 0.6344652 0.2310695), wk = 0.0029412 k( 281) = ( 0.6311856 0.6311856 0.2376288), wk = 0.0029412 k( 282) = ( 0.6279060 0.6279060 0.2441881), wk = 0.0029412 k( 283) = ( 0.6246263 0.6246263 0.2507473), wk = 0.0029412 k( 284) = ( 0.6213467 0.6213467 0.2573066), wk = 0.0029412 k( 285) = ( 0.6180670 0.6180670 0.2638659), wk = 0.0029412 k( 286) = ( 0.6147874 0.6147874 0.2704252), wk = 0.0029412 k( 287) = ( 0.6115078 0.6115078 0.2769845), wk = 0.0029412 k( 288) = ( 0.6082281 0.6082281 0.2835437), wk = 0.0029412 k( 289) = ( 0.6049485 0.6049485 0.2901030), wk = 0.0029412 k( 290) = ( 0.6016689 0.6016688 0.2966623), wk = 0.0029412 k( 291) = ( 0.5983892 0.5983892 0.3032216), wk = 0.0029412 k( 292) = ( 0.5951096 0.5951096 0.3097809), wk = 0.0029412 k( 293) = ( 0.5918299 0.5918299 0.3163401), wk = 0.0029412 k( 294) = ( 0.5885503 0.5885503 0.3228994), wk = 0.0029412 k( 295) = ( 0.5852707 0.5852707 0.3294587), wk = 0.0029412 k( 296) = ( 0.5819910 0.5819910 0.3360180), wk = 0.0029412 k( 297) = ( 0.5787114 0.5787114 0.3425773), wk = 0.0029412 k( 298) = ( 0.5754317 0.5754317 0.3491365), wk = 0.0029412 k( 299) = ( 0.5721521 0.5721521 0.3556958), wk = 0.0029412 k( 300) = ( 0.5688724 0.5688724 0.3622551), wk = 0.0029412 k( 301) = ( 0.5655928 0.5655928 0.3688144), wk = 0.0029412 k( 302) = ( 0.5623132 0.5623132 0.3753737), wk = 0.0029412 k( 303) = ( 0.5590335 0.5590335 0.3819329), wk = 0.0029412 k( 304) = ( 0.5557539 0.5557539 0.3884922), wk = 0.0029412 k( 305) = ( 0.5524742 0.5524742 0.3950515), wk = 0.0029412 k( 306) = ( 0.5491946 0.5491946 0.4016108), wk = 0.0029412 k( 307) = ( 0.5459150 0.5459150 0.4081701), wk = 0.0029412 k( 308) = ( 0.5426353 0.5426353 0.4147293), wk = 0.0029412 k( 309) = ( 0.5393557 0.5393557 0.4212886), wk = 0.0029412 k( 310) = ( 0.5360760 0.5360760 0.4278479), wk = 0.0029412 k( 311) = ( 0.5327964 0.5327964 0.4344072), wk = 0.0029412 k( 312) = ( 0.5295168 0.5295168 0.4409665), wk = 0.0029412 k( 313) = ( 0.5262371 0.5262371 0.4475258), wk = 0.0029412 k( 314) = ( 0.5229575 0.5229575 0.4540850), wk = 0.0029412 k( 315) = ( 0.5196778 0.5196778 0.4606443), wk = 0.0029412 k( 316) = ( 0.5163982 0.5163982 0.4672036), wk = 0.0029412 k( 317) = ( 0.5131186 0.5131186 0.4737629), wk = 0.0029412 k( 318) = ( 0.5098389 0.5098389 0.4803222), wk = 0.0029412 k( 319) = ( 0.5065593 0.5065593 0.4868814), wk = 0.0029412 k( 320) = ( 0.5032796 0.5032796 0.4934407), wk = 0.0029412 k( 321) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 322) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029412 k( 323) = ( 0.5174914 0.0190321 0.0190321), wk = 0.0029412 k( 324) = ( 0.5349828 0.0380641 0.0380641), wk = 0.0029412 k( 325) = ( 0.5524742 0.0570962 0.0570962), wk = 0.0029412 k( 326) = ( 0.5699657 0.0761283 0.0761283), wk = 0.0029412 k( 327) = ( 0.5874571 0.0951603 0.0951603), wk = 0.0029412 k( 328) = ( 0.6049485 0.1141924 0.1141924), wk = 0.0029412 k( 329) = ( 0.6224399 0.1332245 0.1332245), wk = 0.0029412 k( 330) = ( 0.6399313 0.1522566 0.1522566), wk = 0.0029412 k( 331) = ( 0.6574227 0.1712886 0.1712886), wk = 0.0029412 k( 332) = ( 0.6749141 0.1903207 0.1903207), wk = 0.0029412 k( 333) = ( 0.6924056 0.2093528 0.2093528), wk = 0.0029412 k( 334) = ( 0.7098970 0.2283848 0.2283848), wk = 0.0029412 k( 335) = ( 0.7273884 0.2474169 0.2474169), wk = 0.0029412 k( 336) = ( 0.7448798 0.2664490 0.2664490), wk = 0.0029412 k( 337) = ( 0.7623712 0.2854811 0.2854811), wk = 0.0029412 k( 338) = ( 0.7798626 0.3045131 0.3045131), wk = 0.0029412 k( 339) = ( 0.7973541 0.3235452 0.3235452), wk = 0.0029412 k( 340) = ( 0.8148455 0.3425773 0.3425773), wk = 0.0029412 Dense grid: 66869 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 20265 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 146, 42) NL pseudopotentials 0.11 Mb ( 73, 96) Each V/rho on FFT grid 0.30 Mb ( 19683) Each G-vector array 0.01 Mb ( 1858) G-vector shells 0.01 Mb ( 1552) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.37 Mb ( 146, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.12 Mb ( 96, 2, 42) The potential is recalculated from file : ./CaHgO2.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 6.9 secs Computing kpt #: 4 total cpu time spent up to now is 8.3 secs Computing kpt #: 5 total cpu time spent up to now is 9.7 secs Computing kpt #: 6 total cpu time spent up to now is 10.9 secs Computing kpt #: 7 total cpu time spent up to now is 12.4 secs Computing kpt #: 8 total cpu time spent up to now is 13.5 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 14.9 secs Computing kpt #: 10 total cpu time spent up to now is 15.9 secs Computing kpt #: 11 total cpu time spent up to now is 16.7 secs Computing kpt #: 12 total cpu time spent up to now is 17.6 secs Computing kpt #: 13 total cpu time spent up to now is 18.5 secs Computing kpt #: 14 total cpu time spent up to now is 19.3 secs Computing kpt #: 15 total cpu time spent up to now is 20.2 secs Computing kpt #: 16 total cpu time spent up to now is 21.1 secs Computing kpt #: 17 total cpu time spent up to now is 21.9 secs Computing kpt #: 18 total cpu time spent up to now is 22.7 secs Computing kpt #: 19 total cpu time spent up to now is 23.6 secs Computing kpt #: 20 total cpu time spent up to now is 24.4 secs Computing kpt #: 21 total cpu time spent up to now is 25.3 secs Computing kpt #: 22 total cpu time spent up to now is 26.1 secs Computing kpt #: 23 total cpu time spent up to now is 26.9 secs Computing kpt #: 24 total cpu time spent up to now is 27.7 secs Computing kpt #: 25 total cpu time spent up to now is 28.6 secs Computing kpt #: 26 total cpu time spent up to now is 29.4 secs Computing kpt #: 27 total cpu time spent up to now is 30.2 secs Computing kpt #: 28 total cpu time spent up to now is 31.1 secs Computing kpt #: 29 total cpu time spent up to now is 31.9 secs Computing kpt #: 30 total cpu time spent up to now is 32.8 secs Computing kpt #: 31 total cpu time spent up to now is 33.7 secs Computing kpt #: 32 total cpu time spent up to now is 34.6 secs Computing kpt #: 33 total cpu time spent up to now is 35.5 secs Computing kpt #: 34 total cpu time spent up to now is 36.4 secs Computing kpt #: 35 total cpu time spent up to now is 37.4 secs Computing kpt #: 36 total cpu time spent up to now is 38.4 secs Computing kpt #: 37 total cpu time spent up to now is 39.3 secs Computing kpt #: 38 total cpu time spent up to now is 40.4 secs Computing kpt #: 39 total cpu time spent up to now is 41.4 secs Computing kpt #: 40 total cpu time spent up to now is 42.6 secs Computing kpt #: 41 total cpu time spent up to now is 43.8 secs Computing kpt #: 42 total cpu time spent up to now is 45.0 secs Computing kpt #: 43 total cpu time spent up to now is 46.1 secs Computing kpt #: 44 total cpu time spent up to now is 47.3 secs Computing kpt #: 45 total cpu time spent up to now is 48.5 secs Computing kpt #: 46 total cpu time spent up to now is 49.7 secs Computing kpt #: 47 total cpu time spent up to now is 50.8 secs Computing kpt #: 48 total cpu time spent up to now is 51.9 secs Computing kpt #: 49 total cpu time spent up to now is 53.2 secs Computing kpt #: 50 total cpu time spent up to now is 54.3 secs Computing kpt #: 51 total cpu time spent up to now is 55.5 secs Computing kpt #: 52 total cpu time spent up to now is 56.5 secs Computing kpt #: 53 total cpu time spent up to now is 57.6 secs Computing kpt #: 54 total cpu time spent up to now is 58.8 secs Computing kpt #: 55 total cpu time spent up to now is 60.0 secs Computing kpt #: 56 total cpu time spent up to now is 61.2 secs Computing kpt #: 57 total cpu time spent up to now is 62.3 secs Computing kpt #: 58 total cpu time spent up to now is 63.5 secs Computing kpt #: 59 total cpu time spent up to now is 64.7 secs Computing kpt #: 60 total cpu time spent up to now is 65.8 secs Computing kpt #: 61 total cpu time spent up to now is 67.0 secs Computing kpt #: 62 total cpu time spent up to now is 68.1 secs Computing kpt #: 63 total cpu time spent up to now is 69.2 secs Computing kpt #: 64 total cpu time spent up to now is 70.2 secs Computing kpt #: 65 total cpu time spent up to now is 71.1 secs Computing kpt #: 66 total cpu time spent up to now is 72.0 secs Computing kpt #: 67 total cpu time spent up to now is 72.9 secs Computing kpt #: 68 total cpu time spent up to now is 73.7 secs Computing kpt #: 69 total cpu time spent up to now is 74.5 secs Computing kpt #: 70 total cpu time spent up to now is 75.3 secs Computing kpt #: 71 total cpu time spent up to now is 76.2 secs Computing kpt #: 72 total cpu time spent up to now is 77.0 secs Computing kpt #: 73 total cpu time spent up to now is 77.8 secs Computing kpt #: 74 total cpu time spent up to now is 78.7 secs Computing kpt #: 75 total cpu time spent up to now is 79.6 secs Computing kpt #: 76 total cpu time spent up to now is 80.5 secs Computing kpt #: 77 total cpu time spent up to now is 81.4 secs Computing kpt #: 78 total cpu time spent up to now is 82.3 secs Computing kpt #: 79 total cpu time spent up to now is 83.4 secs Computing kpt #: 80 total cpu time spent up to now is 84.6 secs Computing kpt #: 81 total cpu time spent up to now is 85.7 secs Computing kpt #: 82 total cpu time spent up to now is 86.9 secs Computing kpt #: 83 total cpu time spent up to now is 87.9 secs Computing kpt #: 84 total cpu time spent up to now is 89.0 secs Computing kpt #: 85 total cpu time spent up to now is 90.2 secs Computing kpt #: 86 total cpu time spent up to now is 91.7 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.2 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 94.8 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.4 secs Computing kpt #: 90 total cpu time spent up to now is 97.7 secs Computing kpt #: 91 total cpu time spent up to now is 99.2 secs Computing kpt #: 92 total cpu time spent up to now is 100.2 secs Computing kpt #: 93 total cpu time spent up to now is 101.2 secs Computing kpt #: 94 total cpu time spent up to now is 102.2 secs Computing kpt #: 95 total cpu time spent up to now is 103.2 secs Computing kpt #: 96 total cpu time spent up to now is 104.1 secs Computing kpt #: 97 total cpu time spent up to now is 105.1 secs Computing kpt #: 98 total cpu time spent up to now is 106.0 secs Computing kpt #: 99 total cpu time spent up to now is 106.9 secs Computing kpt #: 100 total cpu time spent up to now is 107.9 secs Computing kpt #: 101 total cpu time spent up to now is 108.9 secs Computing kpt #: 102 total cpu time spent up to now is 109.8 secs Computing kpt #: 103 total cpu time spent up to now is 110.8 secs Computing kpt #: 104 total cpu time spent up to now is 111.8 secs Computing kpt #: 105 total cpu time spent up to now is 112.6 secs Computing kpt #: 106 total cpu time spent up to now is 113.6 secs Computing kpt #: 107 total cpu time spent up to now is 114.6 secs Computing kpt #: 108 total cpu time spent up to now is 115.5 secs Computing kpt #: 109 total cpu time spent up to now is 116.5 secs Computing kpt #: 110 total cpu time spent up to now is 117.5 secs Computing kpt #: 111 total cpu time spent up to now is 118.3 secs Computing kpt #: 112 total cpu time spent up to now is 119.2 secs Computing kpt #: 113 total cpu time spent up to now is 120.0 secs Computing kpt #: 114 total cpu time spent up to now is 120.8 secs Computing kpt #: 115 total cpu time spent up to now is 121.7 secs Computing kpt #: 116 total cpu time spent up to now is 122.5 secs Computing kpt #: 117 total cpu time spent up to now is 123.3 secs Computing kpt #: 118 total cpu time spent up to now is 124.2 secs Computing kpt #: 119 total cpu time spent up to now is 125.0 secs Computing kpt #: 120 total cpu time spent up to now is 125.8 secs Computing kpt #: 121 total cpu time spent up to now is 126.6 secs Computing kpt #: 122 total cpu time spent up to now is 127.4 secs Computing kpt #: 123 total cpu time spent up to now is 128.2 secs Computing kpt #: 124 total cpu time spent up to now is 129.1 secs Computing kpt #: 125 total cpu time spent up to now is 130.0 secs Computing kpt #: 126 total cpu time spent up to now is 130.9 secs Computing kpt #: 127 total cpu time spent up to now is 131.8 secs Computing kpt #: 128 total cpu time spent up to now is 132.7 secs Computing kpt #: 129 total cpu time spent up to now is 133.6 secs Computing kpt #: 130 total cpu time spent up to now is 134.5 secs Computing kpt #: 131 total cpu time spent up to now is 135.4 secs Computing kpt #: 132 total cpu time spent up to now is 136.3 secs Computing kpt #: 133 total cpu time spent up to now is 137.2 secs Computing kpt #: 134 total cpu time spent up to now is 138.1 secs Computing kpt #: 135 total cpu time spent up to now is 139.1 secs Computing kpt #: 136 total cpu time spent up to now is 140.0 secs Computing kpt #: 137 total cpu time spent up to now is 140.9 secs Computing kpt #: 138 total cpu time spent up to now is 141.9 secs Computing kpt #: 139 total cpu time spent up to now is 142.8 secs Computing kpt #: 140 total cpu time spent up to now is 143.7 secs Computing kpt #: 141 total cpu time spent up to now is 144.6 secs Computing kpt #: 142 total cpu time spent up to now is 145.6 secs Computing kpt #: 143 total cpu time spent up to now is 146.5 secs Computing kpt #: 144 total cpu time spent up to now is 147.4 secs Computing kpt #: 145 total cpu time spent up to now is 148.3 secs Computing kpt #: 146 total cpu time spent up to now is 149.1 secs Computing kpt #: 147 total cpu time spent up to now is 150.1 secs Computing kpt #: 148 total cpu time spent up to now is 151.0 secs Computing kpt #: 149 total cpu time spent up to now is 151.9 secs Computing kpt #: 150 total cpu time spent up to now is 152.8 secs Computing kpt #: 151 total cpu time spent up to now is 153.7 secs Computing kpt #: 152 total cpu time spent up to now is 154.6 secs Computing kpt #: 153 total cpu time spent up to now is 155.5 secs Computing kpt #: 154 total cpu time spent up to now is 156.4 secs Computing kpt #: 155 total cpu time spent up to now is 157.3 secs Computing kpt #: 156 total cpu time spent up to now is 158.2 secs Computing kpt #: 157 total cpu time spent up to now is 159.2 secs Computing kpt #: 158 total cpu time spent up to now is 160.1 secs Computing kpt #: 159 total cpu time spent up to now is 161.0 secs Computing kpt #: 160 total cpu time spent up to now is 162.1 secs Computing kpt #: 161 total cpu time spent up to now is 163.4 secs Computing kpt #: 162 total cpu time spent up to now is 164.4 secs Computing kpt #: 163 total cpu time spent up to now is 165.3 secs Computing kpt #: 164 total cpu time spent up to now is 166.3 secs Computing kpt #: 165 total cpu time spent up to now is 167.4 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 168.8 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.3 secs Computing kpt #: 168 total cpu time spent up to now is 171.0 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 172.6 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 174.0 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.4 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 176.9 secs Computing kpt #: 173 total cpu time spent up to now is 177.7 secs Computing kpt #: 174 total cpu time spent up to now is 178.8 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 180.2 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.7 secs Computing kpt #: 177 total cpu time spent up to now is 182.6 secs Computing kpt #: 178 total cpu time spent up to now is 183.9 secs Computing kpt #: 179 total cpu time spent up to now is 184.9 secs Computing kpt #: 180 total cpu time spent up to now is 185.8 secs Computing kpt #: 181 total cpu time spent up to now is 186.8 secs Computing kpt #: 182 total cpu time spent up to now is 187.7 secs Computing kpt #: 183 total cpu time spent up to now is 188.6 secs Computing kpt #: 184 total cpu time spent up to now is 189.5 secs Computing kpt #: 185 total cpu time spent up to now is 190.5 secs Computing kpt #: 186 total cpu time spent up to now is 191.4 secs Computing kpt #: 187 total cpu time spent up to now is 192.3 secs Computing kpt #: 188 total cpu time spent up to now is 193.2 secs Computing kpt #: 189 total cpu time spent up to now is 194.1 secs Computing kpt #: 190 total cpu time spent up to now is 194.9 secs Computing kpt #: 191 total cpu time spent up to now is 195.8 secs Computing kpt #: 192 total cpu time spent up to now is 196.6 secs Computing kpt #: 193 total cpu time spent up to now is 197.5 secs Computing kpt #: 194 total cpu time spent up to now is 198.4 secs Computing kpt #: 195 total cpu time spent up to now is 199.3 secs Computing kpt #: 196 total cpu time spent up to now is 200.2 secs Computing kpt #: 197 total cpu time spent up to now is 201.1 secs Computing kpt #: 198 total cpu time spent up to now is 202.0 secs Computing kpt #: 199 total cpu time spent up to now is 202.9 secs Computing kpt #: 200 total cpu time spent up to now is 203.7 secs Computing kpt #: 201 total cpu time spent up to now is 204.7 secs Computing kpt #: 202 total cpu time spent up to now is 205.5 secs Computing kpt #: 203 total cpu time spent up to now is 206.5 secs Computing kpt #: 204 total cpu time spent up to now is 207.3 secs Computing kpt #: 205 total cpu time spent up to now is 208.3 secs Computing kpt #: 206 total cpu time spent up to now is 209.2 secs Computing kpt #: 207 total cpu time spent up to now is 210.1 secs Computing kpt #: 208 total cpu time spent up to now is 211.0 secs Computing kpt #: 209 total cpu time spent up to now is 211.9 secs Computing kpt #: 210 total cpu time spent up to now is 212.8 secs Computing kpt #: 211 total cpu time spent up to now is 213.6 secs Computing kpt #: 212 total cpu time spent up to now is 214.5 secs Computing kpt #: 213 total cpu time spent up to now is 215.4 secs Computing kpt #: 214 total cpu time spent up to now is 216.3 secs Computing kpt #: 215 total cpu time spent up to now is 217.3 secs Computing kpt #: 216 total cpu time spent up to now is 218.2 secs Computing kpt #: 217 total cpu time spent up to now is 219.2 secs Computing kpt #: 218 total cpu time spent up to now is 220.1 secs Computing kpt #: 219 total cpu time spent up to now is 221.1 secs Computing kpt #: 220 total cpu time spent up to now is 221.9 secs Computing kpt #: 221 total cpu time spent up to now is 223.0 secs Computing kpt #: 222 total cpu time spent up to now is 224.2 secs Computing kpt #: 223 total cpu time spent up to now is 225.5 secs Computing kpt #: 224 total cpu time spent up to now is 226.5 secs Computing kpt #: 225 total cpu time spent up to now is 227.4 secs Computing kpt #: 226 total cpu time spent up to now is 228.7 secs Computing kpt #: 227 total cpu time spent up to now is 230.2 secs Computing kpt #: 228 total cpu time spent up to now is 231.5 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 233.1 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 234.7 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 236.3 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 237.8 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 239.4 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 241.0 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 242.6 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 244.2 secs Computing kpt #: 237 total cpu time spent up to now is 245.7 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 247.3 secs Computing kpt #: 239 total cpu time spent up to now is 248.4 secs Computing kpt #: 240 total cpu time spent up to now is 249.5 secs Computing kpt #: 241 total cpu time spent up to now is 250.5 secs Computing kpt #: 242 total cpu time spent up to now is 251.4 secs Computing kpt #: 243 total cpu time spent up to now is 252.3 secs Computing kpt #: 244 total cpu time spent up to now is 253.2 secs Computing kpt #: 245 total cpu time spent up to now is 254.2 secs Computing kpt #: 246 total cpu time spent up to now is 255.1 secs Computing kpt #: 247 total cpu time spent up to now is 256.0 secs Computing kpt #: 248 total cpu time spent up to now is 256.9 secs Computing kpt #: 249 total cpu time spent up to now is 257.8 secs Computing kpt #: 250 total cpu time spent up to now is 258.7 secs Computing kpt #: 251 total cpu time spent up to now is 259.6 secs Computing kpt #: 252 total cpu time spent up to now is 260.5 secs Computing kpt #: 253 total cpu time spent up to now is 261.3 secs Computing kpt #: 254 total cpu time spent up to now is 262.2 secs Computing kpt #: 255 total cpu time spent up to now is 263.1 secs Computing kpt #: 256 total cpu time spent up to now is 264.0 secs Computing kpt #: 257 total cpu time spent up to now is 264.8 secs Computing kpt #: 258 total cpu time spent up to now is 265.7 secs Computing kpt #: 259 total cpu time spent up to now is 266.6 secs Computing kpt #: 260 total cpu time spent up to now is 267.4 secs Computing kpt #: 261 total cpu time spent up to now is 268.3 secs Computing kpt #: 262 total cpu time spent up to now is 269.2 secs Computing kpt #: 263 total cpu time spent up to now is 270.0 secs Computing kpt #: 264 total cpu time spent up to now is 270.9 secs Computing kpt #: 265 total cpu time spent up to now is 271.8 secs Computing kpt #: 266 total cpu time spent up to now is 272.6 secs Computing kpt #: 267 total cpu time spent up to now is 273.5 secs Computing kpt #: 268 total cpu time spent up to now is 274.4 secs Computing kpt #: 269 total cpu time spent up to now is 275.3 secs Computing kpt #: 270 total cpu time spent up to now is 276.2 secs Computing kpt #: 271 total cpu time spent up to now is 277.1 secs Computing kpt #: 272 total cpu time spent up to now is 278.0 secs Computing kpt #: 273 total cpu time spent up to now is 278.9 secs Computing kpt #: 274 total cpu time spent up to now is 279.8 secs Computing kpt #: 275 total cpu time spent up to now is 280.7 secs Computing kpt #: 276 total cpu time spent up to now is 281.7 secs Computing kpt #: 277 total cpu time spent up to now is 282.6 secs Computing kpt #: 278 total cpu time spent up to now is 283.5 secs Computing kpt #: 279 total cpu time spent up to now is 284.4 secs Computing kpt #: 280 total cpu time spent up to now is 285.3 secs Computing kpt #: 281 total cpu time spent up to now is 286.2 secs Computing kpt #: 282 total cpu time spent up to now is 287.1 secs Computing kpt #: 283 total cpu time spent up to now is 288.0 secs Computing kpt #: 284 total cpu time spent up to now is 288.8 secs Computing kpt #: 285 total cpu time spent up to now is 289.7 secs Computing kpt #: 286 total cpu time spent up to now is 290.5 secs Computing kpt #: 287 total cpu time spent up to now is 291.4 secs Computing kpt #: 288 total cpu time spent up to now is 292.2 secs Computing kpt #: 289 total cpu time spent up to now is 293.1 secs Computing kpt #: 290 total cpu time spent up to now is 293.9 secs Computing kpt #: 291 total cpu time spent up to now is 294.7 secs Computing kpt #: 292 total cpu time spent up to now is 295.6 secs Computing kpt #: 293 total cpu time spent up to now is 296.4 secs Computing kpt #: 294 total cpu time spent up to now is 297.2 secs Computing kpt #: 295 total cpu time spent up to now is 298.1 secs Computing kpt #: 296 total cpu time spent up to now is 299.0 secs Computing kpt #: 297 total cpu time spent up to now is 299.9 secs Computing kpt #: 298 total cpu time spent up to now is 300.7 secs Computing kpt #: 299 total cpu time spent up to now is 301.6 secs Computing kpt #: 300 total cpu time spent up to now is 302.5 secs Computing kpt #: 301 total cpu time spent up to now is 303.5 secs Computing kpt #: 302 total cpu time spent up to now is 304.4 secs Computing kpt #: 303 total cpu time spent up to now is 305.3 secs Computing kpt #: 304 total cpu time spent up to now is 306.2 secs Computing kpt #: 305 total cpu time spent up to now is 307.2 secs Computing kpt #: 306 total cpu time spent up to now is 308.1 secs Computing kpt #: 307 total cpu time spent up to now is 309.1 secs Computing kpt #: 308 total cpu time spent up to now is 310.0 secs Computing kpt #: 309 total cpu time spent up to now is 311.0 secs Computing kpt #: 310 total cpu time spent up to now is 311.9 secs Computing kpt #: 311 total cpu time spent up to now is 312.8 secs Computing kpt #: 312 total cpu time spent up to now is 313.7 secs Computing kpt #: 313 total cpu time spent up to now is 314.7 secs Computing kpt #: 314 total cpu time spent up to now is 315.6 secs Computing kpt #: 315 total cpu time spent up to now is 316.5 secs Computing kpt #: 316 total cpu time spent up to now is 317.4 secs Computing kpt #: 317 total cpu time spent up to now is 318.4 secs Computing kpt #: 318 total cpu time spent up to now is 319.3 secs Computing kpt #: 319 total cpu time spent up to now is 320.2 secs Computing kpt #: 320 total cpu time spent up to now is 321.1 secs Computing kpt #: 321 total cpu time spent up to now is 322.0 secs Computing kpt #: 322 total cpu time spent up to now is 323.1 secs Computing kpt #: 323 total cpu time spent up to now is 324.3 secs Computing kpt #: 324 total cpu time spent up to now is 325.4 secs Computing kpt #: 325 total cpu time spent up to now is 326.4 secs Computing kpt #: 326 total cpu time spent up to now is 327.4 secs Computing kpt #: 327 total cpu time spent up to now is 328.4 secs Computing kpt #: 328 total cpu time spent up to now is 329.4 secs Computing kpt #: 329 total cpu time spent up to now is 330.3 secs Computing kpt #: 330 total cpu time spent up to now is 331.4 secs Computing kpt #: 331 total cpu time spent up to now is 332.5 secs Computing kpt #: 332 total cpu time spent up to now is 333.4 secs Computing kpt #: 333 total cpu time spent up to now is 334.6 secs Computing kpt #: 334 total cpu time spent up to now is 335.6 secs Computing kpt #: 335 total cpu time spent up to now is 336.5 secs Computing kpt #: 336 total cpu time spent up to now is 337.4 secs Computing kpt #: 337 total cpu time spent up to now is 338.3 secs Computing kpt #: 338 total cpu time spent up to now is 339.2 secs Computing kpt #: 339 total cpu time spent up to now is 340.1 secs Computing kpt #: 340 total cpu time spent up to now is 341.0 secs ethr = 2.94E-08, avg # of iterations = 54.2 total cpu time spent up to now is 341.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2545 PWs) bands (ev): -31.1749 -31.1749 -12.6450 -12.6450 -12.1417 -12.1417 -11.9481 -11.9481 -10.5292 -10.5292 -9.1847 -9.1847 -1.0430 -1.0430 -0.4588 -0.4588 0.4606 0.4606 1.1408 1.1408 1.4043 1.4043 1.4258 1.4258 4.5989 4.5989 5.5896 5.5896 5.7034 5.7034 5.7282 5.7282 5.7720 5.7720 9.2471 9.2471 12.8279 12.8279 13.6393 13.6393 13.8339 13.8340 k = 0.0096-0.0155-0.0095 ( 2539 PWs) bands (ev): -31.1748 -31.1748 -12.6449 -12.6449 -12.1421 -12.1421 -11.9486 -11.9486 -10.5282 -10.5282 -9.1851 -9.1851 -1.0427 -1.0427 -0.4588 -0.4588 0.4606 0.4606 1.1407 1.1407 1.4045 1.4045 1.4272 1.4272 4.5980 4.5980 5.5893 5.5893 5.7015 5.7015 5.7285 5.7285 5.7728 5.7728 9.2487 9.2487 12.8282 12.8282 13.6397 13.6397 13.8343 13.8345 k = 0.0192-0.0311-0.0189 ( 2539 PWs) bands (ev): -31.1747 -31.1747 -12.6444 -12.6444 -12.1434 -12.1434 -11.9503 -11.9503 -10.5252 -10.5252 -9.1862 -9.1862 -1.0420 -1.0420 -0.4586 -0.4586 0.4605 0.4605 1.1402 1.1402 1.4049 1.4049 1.4314 1.4314 4.5952 4.5952 5.5884 5.5884 5.6969 5.6969 5.7279 5.7279 5.7757 5.7757 9.2533 9.2533 12.8290 12.8290 13.6409 13.6409 13.8347 13.8352 k = 0.0288-0.0466-0.0284 ( 2549 PWs) bands (ev): -31.1745 -31.1745 -12.6436 -12.6436 -12.1455 -12.1455 -11.9532 -11.9532 -10.5202 -10.5202 -9.1881 -9.1881 -1.0407 -1.0407 -0.4584 -0.4584 0.4605 0.4605 1.1394 1.1394 1.4054 1.4054 1.4384 1.4384 4.5907 4.5907 5.5864 5.5864 5.6913 5.6913 5.7243 5.7243 5.7813 5.7813 9.2608 9.2608 12.8304 12.8304 13.6428 13.6428 13.8343 13.8346 k = 0.0385-0.0621-0.0378 ( 2547 PWs) bands (ev): -31.1743 -31.1743 -12.6425 -12.6425 -12.1485 -12.1485 -11.9569 -11.9569 -10.5132 -10.5132 -9.1907 -9.1907 -1.0389 -1.0389 -0.4580 -0.4580 0.4604 0.4604 1.1382 1.1382 1.4062 1.4062 1.4484 1.4484 4.5845 4.5845 5.5828 5.5828 5.6851 5.6851 5.7184 5.7184 5.7894 5.7894 9.2712 9.2712 12.8323 12.8323 13.6453 13.6453 13.8333 13.8334 k = 0.0481-0.0776-0.0473 ( 2557 PWs) bands (ev): -31.1740 -31.1740 -12.6412 -12.6412 -12.1525 -12.1525 -11.9616 -11.9616 -10.5044 -10.5044 -9.1940 -9.1940 -1.0366 -1.0366 -0.4576 -0.4576 0.4602 0.4602 1.1367 1.1367 1.4070 1.4070 1.4613 1.4613 4.5767 4.5767 5.5772 5.5772 5.6766 5.6766 5.7129 5.7129 5.7992 5.7992 9.2844 9.2844 12.8347 12.8347 13.6484 13.6484 13.8317 13.8317 k = 0.0577-0.0932-0.0567 ( 2557 PWs) bands (ev): -31.1736 -31.1736 -12.6396 -12.6396 -12.1574 -12.1574 -11.9669 -11.9669 -10.4939 -10.4939 -9.1980 -9.1980 -1.0339 -1.0339 -0.4571 -0.4571 0.4601 0.4601 1.1349 1.1349 1.4080 1.4080 1.4772 1.4772 4.5673 4.5673 5.5692 5.5692 5.6636 5.6636 5.7110 5.7110 5.8101 5.8101 9.3002 9.3002 12.8376 12.8376 13.6518 13.6518 13.8298 13.8298 k = 0.0673-0.1087-0.0662 ( 2555 PWs) bands (ev): -31.1732 -31.1732 -12.6377 -12.6377 -12.1632 -12.1632 -11.9728 -11.9728 -10.4817 -10.4817 -9.2028 -9.2028 -1.0307 -1.0307 -0.4565 -0.4565 0.4600 0.4600 1.1327 1.1327 1.4092 1.4092 1.4960 1.4960 4.5566 4.5566 5.5587 5.5587 5.6459 5.6459 5.7135 5.7135 5.8218 5.8218 9.3186 9.3186 12.8410 12.8410 13.6552 13.6552 13.8277 13.8277 k = 0.0769-0.1242-0.0756 ( 2557 PWs) bands (ev): -31.1727 -31.1727 -12.6356 -12.6356 -12.1702 -12.1702 -11.9790 -11.9790 -10.4679 -10.4679 -9.2083 -9.2083 -1.0270 -1.0270 -0.4558 -0.4558 0.4598 0.4598 1.1303 1.1303 1.4106 1.4106 1.5177 1.5177 4.5447 4.5447 5.5456 5.5456 5.6246 5.6246 5.7194 5.7194 5.8340 5.8340 9.3392 9.3392 12.8449 12.8449 13.6586 13.6586 13.8256 13.8257 k = 0.0865-0.1398-0.0851 ( 2554 PWs) bands (ev): -31.1721 -31.1721 -12.6334 -12.6334 -12.1781 -12.1781 -11.9855 -11.9855 -10.4527 -10.4527 -9.2144 -9.2144 -1.0229 -1.0229 -0.4551 -0.4551 0.4597 0.4597 1.1275 1.1275 1.4123 1.4123 1.5422 1.5422 4.5316 4.5316 5.5296 5.5296 5.6014 5.6014 5.7277 5.7277 5.8466 5.8466 9.3620 9.3620 12.8490 12.8490 13.6615 13.6615 13.8237 13.8237 k = 0.0962-0.1553-0.0945 ( 2554 PWs) bands (ev): -31.1715 -31.1715 -12.6310 -12.6310 -12.1871 -12.1871 -11.9920 -11.9920 -10.4363 -10.4363 -9.2212 -9.2212 -1.0184 -1.0184 -0.4544 -0.4544 0.4595 0.4595 1.1243 1.1243 1.4142 1.4142 1.5697 1.5697 4.5176 4.5176 5.5102 5.5102 5.5776 5.5776 5.7378 5.7378 5.8595 5.8595 9.3867 9.3867 12.8535 12.8535 13.6636 13.6636 13.8221 13.8221 k = 0.1058-0.1708-0.1040 ( 2554 PWs) bands (ev): -31.1708 -31.1708 -12.6285 -12.6285 -12.1970 -12.1970 -11.9984 -11.9984 -10.4187 -10.4187 -9.2286 -9.2286 -1.0136 -1.0136 -0.4536 -0.4536 0.4594 0.4594 1.1209 1.1209 1.4164 1.4164 1.6000 1.6000 4.5027 4.5027 5.4866 5.4866 5.5546 5.5546 5.7490 5.7490 5.8727 5.8727 9.4132 9.4132 12.8582 12.8582 13.6646 13.6646 13.8210 13.8210 k = 0.1154-0.1864-0.1134 ( 2553 PWs) bands (ev): -31.1701 -31.1701 -12.6261 -12.6261 -12.2079 -12.2079 -12.0046 -12.0046 -10.4000 -10.4000 -9.2367 -9.2367 -1.0083 -1.0083 -0.4529 -0.4529 0.4594 0.4594 1.1171 1.1171 1.4189 1.4189 1.6331 1.6331 4.4871 4.4871 5.4585 5.4585 5.5332 5.5332 5.7612 5.7612 5.8860 5.8860 9.4411 9.4411 12.8630 12.8630 13.6639 13.6639 13.8207 13.8207 k = 0.1250-0.2019-0.1229 ( 2552 PWs) bands (ev): -31.1693 -31.1693 -12.6237 -12.6237 -12.2196 -12.2196 -12.0106 -12.0106 -10.3805 -10.3805 -9.2453 -9.2453 -1.0028 -1.0028 -0.4521 -0.4521 0.4593 0.4593 1.1131 1.1131 1.4218 1.4218 1.6690 1.6690 4.4708 4.4708 5.4263 5.4263 5.5134 5.5134 5.7739 5.7739 5.8995 5.8995 9.4703 9.4703 12.8678 12.8678 13.6612 13.6612 13.8214 13.8214 k = 0.1346-0.2174-0.1323 ( 2556 PWs) bands (ev): -31.1684 -31.1684 -12.6214 -12.6214 -12.2319 -12.2319 -12.0162 -12.0162 -10.3602 -10.3602 -9.2546 -9.2546 -0.9970 -0.9970 -0.4514 -0.4514 0.4594 0.4594 1.1088 1.1088 1.4250 1.4250 1.7077 1.7077 4.4539 4.4539 5.3909 5.3909 5.4948 5.4948 5.7869 5.7869 5.9131 5.9131 9.5005 9.5005 12.8723 12.8723 13.6558 13.6558 13.8232 13.8232 k = 0.1442-0.2329-0.1418 ( 2558 PWs) bands (ev): -31.1675 -31.1675 -12.6194 -12.6194 -12.2447 -12.2447 -12.0215 -12.0215 -10.3392 -10.3392 -9.2644 -9.2644 -0.9908 -0.9908 -0.4507 -0.4507 0.4595 0.4595 1.1041 1.1041 1.4287 1.4287 1.7491 1.7491 4.4364 4.4364 5.3532 5.3532 5.4768 5.4768 5.8000 5.8000 5.9268 5.9268 9.5315 9.5315 12.8766 12.8766 13.6471 13.6471 13.8265 13.8265 k = 0.1538-0.2485-0.1512 ( 2558 PWs) bands (ev): -31.1666 -31.1666 -12.6177 -12.6177 -12.2578 -12.2578 -12.0265 -12.0265 -10.3177 -10.3177 -9.2747 -9.2747 -0.9845 -0.9845 -0.4501 -0.4501 0.4597 0.4597 1.0993 1.0993 1.4327 1.4327 1.7932 1.7932 4.4185 4.4185 5.3137 5.3137 5.4593 5.4593 5.8131 5.8131 5.9405 5.9405 9.5631 9.5631 12.8802 12.8802 13.6346 13.6346 13.8315 13.8315 k = 0.1635-0.2640-0.1607 ( 2567 PWs) bands (ev): -31.1656 -31.1656 -12.6166 -12.6166 -12.2709 -12.2709 -12.0311 -12.0311 -10.2957 -10.2957 -9.2855 -9.2855 -0.9780 -0.9780 -0.4495 -0.4495 0.4601 0.4601 1.0942 1.0942 1.4371 1.4371 1.8399 1.8399 4.4001 4.4001 5.2731 5.2731 5.4419 5.4419 5.8261 5.8261 5.9542 5.9542 9.5950 9.5950 12.8831 12.8831 13.6173 13.6173 13.8385 13.8385 k = 0.1731-0.2795-0.1701 ( 2564 PWs) bands (ev): -31.1646 -31.1646 -12.6161 -12.6161 -12.2837 -12.2837 -12.0354 -12.0354 -10.2734 -10.2734 -9.2967 -9.2967 -0.9713 -0.9713 -0.4490 -0.4490 0.4606 0.4606 1.0888 1.0888 1.4420 1.4420 1.8892 1.8892 4.3814 4.3814 5.2317 5.2317 5.4246 5.4246 5.8388 5.8388 5.9679 5.9679 9.6271 9.6271 12.8851 12.8851 13.5947 13.5947 13.8477 13.8477 k = 0.1827-0.2951-0.1796 ( 2564 PWs) bands (ev): -31.1636 -31.1636 -12.6163 -12.6163 -12.2960 -12.2960 -12.0394 -12.0394 -10.2509 -10.2509 -9.3084 -9.3084 -0.9644 -0.9644 -0.4486 -0.4486 0.4612 0.4612 1.0833 1.0833 1.4472 1.4472 1.9411 1.9411 4.3621 4.3621 5.1900 5.1900 5.4073 5.4073 5.8512 5.8512 5.9814 5.9814 9.6590 9.6590 12.8859 12.8859 13.5658 13.5658 13.8594 13.8594 k = 0.1923-0.3106-0.1890 ( 2562 PWs) bands (ev): -31.1625 -31.1625 -12.6175 -12.6175 -12.3075 -12.3075 -12.0431 -12.0431 -10.2282 -10.2282 -9.3205 -9.3205 -0.9575 -0.9575 -0.4484 -0.4484 0.4620 0.4620 1.0776 1.0776 1.4529 1.4529 1.9954 1.9954 4.3425 4.3425 5.1481 5.1481 5.3901 5.3901 5.8631 5.8631 5.9948 5.9948 9.6905 9.6905 12.8852 12.8852 13.5298 13.5298 13.8735 13.8735 k = 0.2019-0.3261-0.1985 ( 2560 PWs) bands (ev): -31.1614 -31.1614 -12.6198 -12.6198 -12.3181 -12.3181 -12.0465 -12.0465 -10.2054 -10.2054 -9.3329 -9.3329 -0.9505 -0.9505 -0.4482 -0.4482 0.4631 0.4631 1.0717 1.0717 1.4590 1.4590 2.0520 2.0520 4.3224 4.3224 5.1066 5.1066 5.3729 5.3729 5.8746 5.8746 6.0081 6.0081 9.7213 9.7213 12.8827 12.8827 13.4858 13.4858 13.8904 13.8904 k = 0.2115-0.3417-0.2079 ( 2562 PWs) bands (ev): -31.1603 -31.1603 -12.6233 -12.6233 -12.3275 -12.3275 -12.0497 -12.0497 -10.1827 -10.1827 -9.3457 -9.3457 -0.9434 -0.9434 -0.4481 -0.4481 0.4643 0.4643 1.0657 1.0657 1.4655 1.4655 2.1110 2.1110 4.3018 4.3018 5.0655 5.0655 5.3557 5.3557 5.8855 5.8855 6.0212 6.0212 9.7510 9.7510 12.8783 12.8783 13.4332 13.4332 13.9102 13.9102 k = 0.2212-0.3572-0.2174 ( 2563 PWs) bands (ev): -31.1592 -31.1592 -12.6282 -12.6282 -12.3354 -12.3354 -12.0526 -12.0526 -10.1600 -10.1600 -9.3587 -9.3587 -0.9364 -0.9364 -0.4482 -0.4482 0.4658 0.4658 1.0596 1.0596 1.4723 1.4723 2.1722 2.1722 4.2807 4.2807 5.0251 5.0251 5.3386 5.3386 5.8958 5.8958 6.0341 6.0341 9.7796 9.7796 12.8713 12.8713 13.3720 13.3720 13.9329 13.9329 k = 0.2308-0.3727-0.2268 ( 2558 PWs) bands (ev): -31.1580 -31.1580 -12.6344 -12.6344 -12.3419 -12.3419 -12.0553 -12.0553 -10.1375 -10.1375 -9.3719 -9.3719 -0.9294 -0.9294 -0.4484 -0.4484 0.4675 0.4675 1.0535 1.0535 1.4795 1.4795 2.2354 2.2354 4.2591 4.2591 4.9858 4.9858 5.3217 5.3217 5.9054 5.9054 6.0468 6.0468 9.8065 9.8065 12.8611 12.8611 13.3024 13.3024 13.9585 13.9585 k = 0.2404-0.3882-0.2363 ( 2557 PWs) bands (ev): -31.1569 -31.1569 -12.6420 -12.6420 -12.3469 -12.3469 -12.0579 -12.0579 -10.1153 -10.1153 -9.3854 -9.3854 -0.9224 -0.9224 -0.4487 -0.4487 0.4694 0.4694 1.0472 1.0472 1.4871 1.4871 2.3006 2.3006 4.2370 4.2370 4.9477 4.9477 5.3048 5.3048 5.9144 5.9144 6.0593 6.0593 9.8315 9.8315 12.8467 12.8467 13.2260 13.2260 13.9870 13.9870 k = 0.2500-0.4038-0.2457 ( 2558 PWs) bands (ev): -31.1557 -31.1557 -12.6508 -12.6508 -12.3503 -12.3503 -12.0602 -12.0602 -10.0933 -10.0933 -9.3990 -9.3990 -0.9156 -0.9156 -0.4492 -0.4492 0.4716 0.4716 1.0410 1.0410 1.4949 1.4949 2.3677 2.3677 4.2143 4.2143 4.9110 4.9110 5.2881 5.2881 5.9227 5.9227 6.0715 6.0715 9.8540 9.8540 12.8257 12.8257 13.1458 13.1458 14.0182 14.0182 k = 0.2596-0.4193-0.2552 ( 2561 PWs) bands (ev): -31.1546 -31.1546 -12.6608 -12.6608 -12.3524 -12.3524 -12.0623 -12.0623 -10.0717 -10.0717 -9.4127 -9.4127 -0.9089 -0.9089 -0.4498 -0.4498 0.4741 0.4741 1.0347 1.0347 1.5030 1.5030 2.4364 2.4364 4.1911 4.1911 4.8758 4.8758 5.2716 5.2716 5.9302 5.9302 6.0835 6.0835 9.8739 9.8739 12.7942 12.7942 13.0672 13.0672 14.0520 14.0520 k = 0.2692-0.4348-0.2646 ( 2563 PWs) bands (ev): -31.1534 -31.1534 -12.6718 -12.6718 -12.3532 -12.3532 -12.0642 -12.0642 -10.0504 -10.0504 -9.4265 -9.4265 -0.9023 -0.9023 -0.4505 -0.4505 0.4768 0.4768 1.0285 1.0285 1.5113 1.5113 2.5067 2.5067 4.1674 4.1674 4.8423 4.8423 5.2554 5.2554 5.9371 5.9371 6.0953 6.0953 9.8905 9.8905 12.7460 12.7460 12.9982 12.9982 14.0881 14.0881 k = 0.2788-0.4504-0.2741 ( 2563 PWs) bands (ev): -31.1523 -31.1523 -12.6836 -12.6836 -12.3529 -12.3529 -12.0659 -12.0659 -10.0297 -10.0297 -9.4403 -9.4403 -0.8958 -0.8958 -0.4514 -0.4514 0.4797 0.4797 1.0224 1.0224 1.5199 1.5199 2.5783 2.5783 4.1433 4.1433 4.8106 4.8106 5.2394 5.2394 5.9432 5.9432 6.1068 6.1068 9.9034 9.9034 12.6768 12.6768 12.9453 12.9453 14.1262 14.1262 k = 0.2885-0.4659-0.2835 ( 2562 PWs) bands (ev): -31.1511 -31.1511 -12.6960 -12.6960 -12.3516 -12.3516 -12.0674 -12.0674 -10.0093 -10.0093 -9.4541 -9.4541 -0.8896 -0.8896 -0.4523 -0.4523 0.4829 0.4829 1.0163 1.0163 1.5285 1.5285 2.6510 2.6510 4.1189 4.1189 4.7807 4.7807 5.2238 5.2238 5.9486 5.9486 6.1180 6.1180 9.9120 9.9120 12.5898 12.5898 12.9073 12.9073 14.1659 14.1659 k = 0.2981-0.4814-0.2930 ( 2562 PWs) bands (ev): -31.1500 -31.1500 -12.7087 -12.7087 -12.3496 -12.3496 -12.0687 -12.0687 -9.9896 -9.9896 -9.4679 -9.4679 -0.8836 -0.8836 -0.4534 -0.4534 0.4863 0.4863 1.0103 1.0103 1.5373 1.5373 2.7245 2.7245 4.0944 4.0944 4.7525 4.7525 5.2085 5.2085 5.9534 5.9534 6.1290 6.1290 9.9159 9.9159 12.4925 12.4925 12.8790 12.8790 14.2066 14.2066 k = 0.3077-0.4970-0.3024 ( 2564 PWs) bands (ev): -31.1489 -31.1489 -12.7217 -12.7217 -12.3470 -12.3470 -12.0698 -12.0698 -9.9703 -9.9703 -9.4815 -9.4815 -0.8778 -0.8778 -0.4545 -0.4545 0.4899 0.4899 1.0044 1.0044 1.5462 1.5462 2.7987 2.7987 4.0699 4.0699 4.7262 4.7262 5.1937 5.1937 5.9575 5.9575 6.1397 6.1397 9.9143 9.9143 12.3914 12.3914 12.8558 12.8558 14.2476 14.2476 k = 0.3173-0.5125-0.3119 ( 2561 PWs) bands (ev): -31.1478 -31.1478 -12.7347 -12.7347 -12.3439 -12.3439 -12.0707 -12.0707 -9.9517 -9.9517 -9.4949 -9.4949 -0.8722 -0.8722 -0.4557 -0.4557 0.4937 0.4937 0.9987 0.9987 1.5550 1.5550 2.8731 2.8731 4.0458 4.0458 4.7015 4.7015 5.1793 5.1793 5.9610 5.9610 6.1501 6.1501 9.9070 9.9070 12.2908 12.2908 12.8355 12.8355 14.2882 14.2882 k = 0.3269-0.5280-0.3213 ( 2554 PWs) bands (ev): -31.1468 -31.1468 -12.7477 -12.7477 -12.3405 -12.3405 -12.0714 -12.0714 -9.9337 -9.9337 -9.5082 -9.5082 -0.8669 -0.8669 -0.4570 -0.4570 0.4977 0.4977 0.9932 0.9932 1.5638 1.5638 2.9475 2.9475 4.0223 4.0223 4.6784 4.6784 5.1653 5.1653 5.9639 5.9639 6.1601 6.1601 9.8933 9.8933 12.1937 12.1937 12.8167 12.8167 14.3272 14.3272 k = 0.3365-0.5435-0.3308 ( 2550 PWs) bands (ev): -31.1458 -31.1458 -12.7605 -12.7605 -12.3369 -12.3369 -12.0719 -12.0719 -9.9164 -9.9164 -9.5213 -9.5213 -0.8619 -0.8619 -0.4583 -0.4583 0.5017 0.5017 0.9879 0.9879 1.5725 1.5725 3.0212 3.0212 3.9997 3.9997 4.6568 4.6568 5.1519 5.1519 5.9664 5.9664 6.1699 6.1699 9.8731 9.8731 12.1021 12.1021 12.7989 12.7989 14.3637 14.3637 k = 0.3462-0.5591-0.3402 ( 2546 PWs) bands (ev): -31.1448 -31.1448 -12.7730 -12.7730 -12.3331 -12.3331 -12.0723 -12.0723 -9.8997 -9.8997 -9.5340 -9.5340 -0.8571 -0.8571 -0.4596 -0.4596 0.5059 0.5059 0.9828 0.9828 1.5811 1.5811 3.0939 3.0939 3.9786 3.9786 4.6365 4.6365 5.1391 5.1391 5.9684 5.9684 6.1792 6.1792 9.8461 9.8461 12.0174 12.0174 12.7819 12.7819 14.3965 14.3965 k = 0.3558-0.5746-0.3497 ( 2540 PWs) bands (ev): -31.1438 -31.1438 -12.7850 -12.7850 -12.3293 -12.3293 -12.0724 -12.0724 -9.8837 -9.8837 -9.5465 -9.5465 -0.8527 -0.8527 -0.4610 -0.4610 0.5101 0.5101 0.9779 0.9779 1.5895 1.5895 3.1648 3.1648 3.9595 3.9595 4.6173 4.6173 5.1268 5.1268 5.9700 5.9700 6.1882 6.1882 9.8125 9.8125 11.9407 11.9407 12.7654 12.7654 14.4250 14.4250 k = 0.3654-0.5901-0.3591 ( 2542 PWs) bands (ev): -31.1429 -31.1429 -12.7966 -12.7966 -12.3256 -12.3256 -12.0725 -12.0725 -9.8685 -9.8685 -9.5586 -9.5586 -0.8485 -0.8485 -0.4624 -0.4624 0.5143 0.5143 0.9732 0.9732 1.5976 1.5976 3.2331 3.2331 3.9430 3.9430 4.5991 4.5991 5.1152 5.1152 5.9712 5.9712 6.1967 6.1967 9.7726 9.7726 11.8723 11.8723 12.7496 12.7496 14.4487 14.4487 k = 0.3750-0.6057-0.3686 ( 2539 PWs) bands (ev): -31.1421 -31.1421 -12.8077 -12.8077 -12.3219 -12.3219 -12.0724 -12.0724 -9.8539 -9.8539 -9.5703 -9.5703 -0.8446 -0.8446 -0.4637 -0.4637 0.5185 0.5185 0.9688 0.9688 1.6054 1.6054 3.2979 3.2979 3.9301 3.9301 4.5816 4.5816 5.1042 5.1042 5.9723 5.9723 6.2047 6.2047 9.7273 9.7273 11.8127 11.8127 12.7344 12.7344 14.4680 14.4680 k = 0.3846-0.6212-0.3780 ( 2536 PWs) bands (ev): -31.1413 -31.1413 -12.8181 -12.8181 -12.3184 -12.3184 -12.0721 -12.0721 -9.8401 -9.8401 -9.5817 -9.5817 -0.8410 -0.8410 -0.4651 -0.4651 0.5225 0.5225 0.9647 0.9647 1.6129 1.6129 3.3578 3.3578 3.9218 3.9218 4.5647 4.5647 5.0939 5.0939 5.9730 5.9730 6.2123 6.2123 9.6773 9.6773 11.7614 11.7614 12.7199 12.7199 14.4836 14.4836 k = 0.3942-0.6367-0.3875 ( 2531 PWs) bands (ev): -31.1405 -31.1405 -12.8279 -12.8279 -12.3151 -12.3151 -12.0717 -12.0717 -9.8271 -9.8271 -9.5925 -9.5925 -0.8377 -0.8377 -0.4663 -0.4663 0.5265 0.5265 0.9609 0.9609 1.6200 1.6200 3.4114 3.4114 3.9193 3.9193 4.5481 4.5481 5.0843 5.0843 5.9737 5.9737 6.2194 6.2194 9.6241 9.6241 11.7180 11.7180 12.7061 12.7061 14.4961 14.4961 k = 0.4038-0.6523-0.3969 ( 2530 PWs) bands (ev): -31.1399 -31.1399 -12.8369 -12.8369 -12.3120 -12.3120 -12.0713 -12.0713 -9.8147 -9.8147 -9.6029 -9.6029 -0.8347 -0.8347 -0.4676 -0.4676 0.5303 0.5303 0.9574 0.9574 1.6266 1.6266 3.4571 3.4571 3.9239 3.9239 4.5316 4.5316 5.0754 5.0754 5.9742 5.9742 6.2259 6.2259 9.5689 9.5689 11.6819 11.6819 12.6932 12.6932 14.5063 14.5063 k = 0.4135-0.6678-0.4064 ( 2531 PWs) bands (ev): -31.1392 -31.1392 -12.8453 -12.8453 -12.3092 -12.3092 -12.0708 -12.0708 -9.8032 -9.8032 -9.6129 -9.6129 -0.8320 -0.8320 -0.4687 -0.4687 0.5339 0.5339 0.9542 0.9542 1.6327 1.6327 3.4937 3.4937 3.9366 3.9366 4.5151 4.5151 5.0673 5.0673 5.9746 5.9746 6.2320 6.2320 9.5132 9.5132 11.6522 11.6522 12.6811 12.6811 14.5147 14.5147 k = 0.4231-0.6833-0.4158 ( 2535 PWs) bands (ev): -31.1387 -31.1387 -12.8528 -12.8528 -12.3066 -12.3066 -12.0703 -12.0703 -9.7924 -9.7924 -9.6223 -9.6223 -0.8295 -0.8295 -0.4698 -0.4698 0.5373 0.5373 0.9512 0.9512 1.6384 1.6384 3.5209 3.5209 3.9574 3.9574 4.4983 4.4983 5.0600 5.0600 5.9750 5.9750 6.2374 6.2374 9.4584 9.4584 11.6283 11.6283 12.6701 12.6701 14.5218 14.5218 k = 0.4327-0.6988-0.4253 ( 2532 PWs) bands (ev): -31.1381 -31.1381 -12.8595 -12.8595 -12.3044 -12.3044 -12.0697 -12.0697 -9.7823 -9.7823 -9.6311 -9.6311 -0.8274 -0.8274 -0.4707 -0.4707 0.5403 0.5403 0.9487 0.9487 1.6434 1.6434 3.5396 3.5396 3.9851 3.9851 4.4812 4.4812 5.0535 5.0535 5.9753 5.9753 6.2422 6.2422 9.4062 9.4062 11.6091 11.6091 12.6602 12.6602 14.5276 14.5276 k = 0.4423-0.7144-0.4347 ( 2530 PWs) bands (ev): -31.1377 -31.1377 -12.8653 -12.8653 -12.3024 -12.3024 -12.0692 -12.0692 -9.7731 -9.7731 -9.6393 -9.6393 -0.8256 -0.8256 -0.4716 -0.4716 0.5431 0.5431 0.9464 0.9464 1.6479 1.6479 3.5513 3.5513 4.0175 4.0175 4.4635 4.4635 5.0478 5.0478 5.9757 5.9757 6.2465 6.2465 9.3578 9.3578 11.5941 11.5941 12.6514 12.6514 14.5326 14.5326 k = 0.4519-0.7299-0.4442 ( 2530 PWs) bands (ev): -31.1373 -31.1373 -12.8703 -12.8703 -12.3007 -12.3007 -12.0687 -12.0687 -9.7648 -9.7648 -9.6469 -9.6469 -0.8240 -0.8240 -0.4723 -0.4723 0.5454 0.5454 0.9445 0.9445 1.6517 1.6517 3.5580 3.5580 4.0523 4.0523 4.4455 4.4455 5.0430 5.0430 5.9759 5.9759 6.2501 6.2501 9.3146 9.3146 11.5825 11.5825 12.6439 12.6439 14.5366 14.5366 k = 0.4615-0.7454-0.4536 ( 2529 PWs) bands (ev): -31.1370 -31.1370 -12.8744 -12.8744 -12.2993 -12.2993 -12.0683 -12.0683 -9.7574 -9.7574 -9.6536 -9.6536 -0.8228 -0.8228 -0.4729 -0.4729 0.5474 0.5474 0.9429 0.9429 1.6548 1.6548 3.5614 3.5614 4.0870 4.0870 4.4273 4.4273 5.0391 5.0391 5.9762 5.9762 6.2531 6.2531 9.2776 9.2776 11.5738 11.5738 12.6376 12.6376 14.5399 14.5399 k = 0.4712-0.7610-0.4631 ( 2525 PWs) bands (ev): -31.1368 -31.1368 -12.8776 -12.8776 -12.2982 -12.2982 -12.0679 -12.0679 -9.7512 -9.7512 -9.6593 -9.6593 -0.8218 -0.8218 -0.4734 -0.4734 0.5490 0.5490 0.9417 0.9417 1.6573 1.6573 3.5629 3.5629 4.1190 4.1190 4.4097 4.4097 5.0360 5.0360 5.9764 5.9764 6.2554 6.2554 9.2478 9.2478 11.5675 11.5675 12.6327 12.6327 14.5424 14.5424 k = 0.4808-0.7765-0.4725 ( 2522 PWs) bands (ev): -31.1366 -31.1366 -12.8799 -12.8799 -12.2975 -12.2975 -12.0676 -12.0676 -9.7464 -9.7464 -9.6638 -9.6638 -0.8211 -0.8211 -0.4738 -0.4738 0.5501 0.5501 0.9408 0.9408 1.6591 1.6591 3.5633 3.5633 4.1459 4.1459 4.3940 4.3940 5.0338 5.0338 5.9766 5.9766 6.2571 6.2571 9.2260 9.2260 11.5633 11.5633 12.6292 12.6292 14.5442 14.5442 k = 0.4904-0.7920-0.4820 ( 2524 PWs) bands (ev): -31.1365 -31.1365 -12.8813 -12.8813 -12.2970 -12.2970 -12.0675 -12.0675 -9.7433 -9.7433 -9.6667 -9.6667 -0.8207 -0.8207 -0.4740 -0.4740 0.5508 0.5508 0.9403 0.9403 1.6602 1.6602 3.5634 3.5634 4.1644 4.1644 4.3826 4.3826 5.0324 5.0324 5.9767 5.9767 6.2581 6.2581 9.2126 9.2126 11.5608 11.5608 12.6270 12.6270 14.5452 14.5452 k = 0.5000-0.8075-0.4914 ( 2520 PWs) bands (ev): -31.1364 -31.1364 -12.8817 -12.8817 -12.2968 -12.2968 -12.0674 -12.0674 -9.7422 -9.7422 -9.6677 -9.6677 -0.8205 -0.8205 -0.4741 -0.4741 0.5510 0.5510 0.9401 0.9401 1.6605 1.6605 3.5634 3.5634 4.1710 4.1710 4.3783 4.3783 5.0320 5.0320 5.9768 5.9768 6.2584 6.2584 9.2082 9.2082 11.5600 11.5600 12.6264 12.6264 14.5456 14.5456 k = 0.5000-0.8075-0.4914 ( 2520 PWs) bands (ev): -31.1364 -31.1364 -12.8817 -12.8817 -12.2968 -12.2968 -12.0674 -12.0674 -9.7422 -9.7422 -9.6677 -9.6677 -0.8205 -0.8205 -0.4741 -0.4741 0.5510 0.5510 0.9401 0.9401 1.6605 1.6605 3.5634 3.5634 4.1710 4.1710 4.3783 4.3783 5.0320 5.0320 5.9768 5.9768 6.2584 6.2584 9.2082 9.2082 11.5600 11.5600 12.6264 12.6264 14.5456 14.5456 k = 0.5000-0.7969-0.5089 ( 2522 PWs) bands (ev): -31.1364 -31.1364 -12.8814 -12.8814 -12.2970 -12.2970 -12.0679 -12.0679 -9.7426 -9.7426 -9.6670 -9.6670 -0.8205 -0.8205 -0.4739 -0.4739 0.5509 0.5509 0.9402 0.9402 1.6601 1.6601 3.5645 3.5645 4.1713 4.1713 4.3786 4.3786 5.0314 5.0314 5.9771 5.9771 6.2574 6.2574 9.2100 9.2100 11.5595 11.5595 12.6282 12.6282 14.5446 14.5446 k = 0.5000-0.7862-0.5264 ( 2520 PWs) bands (ev): -31.1364 -31.1364 -12.8805 -12.8805 -12.2973 -12.2973 -12.0694 -12.0694 -9.7437 -9.7437 -9.6650 -9.6650 -0.8205 -0.8205 -0.4735 -0.4735 0.5506 0.5506 0.9404 0.9404 1.6588 1.6588 3.5677 3.5677 4.1719 4.1719 4.3793 4.3793 5.0296 5.0296 5.9782 5.9782 6.2542 6.2542 9.2155 9.2155 11.5579 11.5579 12.6337 12.6337 14.5418 14.5418 k = 0.5000-0.7756-0.5440 ( 2522 PWs) bands (ev): -31.1363 -31.1363 -12.8789 -12.8789 -12.2980 -12.2980 -12.0719 -12.0719 -9.7456 -9.7456 -9.6616 -9.6616 -0.8206 -0.8206 -0.4727 -0.4727 0.5501 0.5501 0.9406 0.9406 1.6566 1.6566 3.5731 3.5731 4.1730 4.1730 4.3805 4.3805 5.0268 5.0268 5.9799 5.9799 6.2490 6.2490 9.2248 9.2248 11.5554 11.5554 12.6428 12.6428 14.5369 14.5369 k = 0.5000-0.7649-0.5615 ( 2524 PWs) bands (ev): -31.1363 -31.1363 -12.8767 -12.8767 -12.2989 -12.2989 -12.0754 -12.0754 -9.7483 -9.7483 -9.6569 -9.6569 -0.8206 -0.8206 -0.4717 -0.4717 0.5494 0.5494 0.9410 0.9410 1.6535 1.6535 3.5807 3.5807 4.1746 4.1746 4.3822 4.3822 5.0228 5.0228 5.9821 5.9821 6.2418 6.2418 9.2377 9.2377 11.5518 11.5518 12.6555 12.6555 14.5294 14.5294 k = 0.5000-0.7543-0.5790 ( 2530 PWs) bands (ev): -31.1362 -31.1362 -12.8739 -12.8739 -12.3001 -12.3001 -12.0797 -12.0797 -9.7517 -9.7517 -9.6510 -9.6510 -0.8207 -0.8207 -0.4704 -0.4704 0.5485 0.5485 0.9415 0.9415 1.6497 1.6497 3.5903 3.5903 4.1766 4.1766 4.3844 4.3844 5.0177 5.0177 5.9849 5.9849 6.2327 6.2327 9.2542 9.2542 11.5472 11.5472 12.6716 12.6716 14.5188 14.5188 k = 0.5000-0.7436-0.5965 ( 2526 PWs) bands (ev): -31.1360 -31.1360 -12.8705 -12.8705 -12.3016 -12.3016 -12.0847 -12.0847 -9.7557 -9.7557 -9.6439 -9.6439 -0.8208 -0.8208 -0.4688 -0.4688 0.5474 0.5474 0.9421 0.9421 1.6451 1.6451 3.6019 3.6019 4.1791 4.1791 4.3869 4.3869 5.0116 5.0116 5.9879 5.9879 6.2219 6.2219 9.2744 9.2744 11.5419 11.5419 12.6912 12.6912 14.5034 14.5034 k = 0.5000-0.7329-0.6140 ( 2526 PWs) bands (ev): -31.1359 -31.1359 -12.8665 -12.8665 -12.3036 -12.3036 -12.0904 -12.0904 -9.7605 -9.7605 -9.6357 -9.6357 -0.8209 -0.8209 -0.4670 -0.4670 0.5462 0.5462 0.9428 0.9428 1.6399 1.6399 3.6155 3.6155 4.1820 4.1820 4.3899 4.3899 5.0046 5.0046 5.9911 5.9911 6.2095 6.2095 9.2982 9.2982 11.5357 11.5357 12.7141 12.7141 14.4800 14.4800 k = 0.5000-0.7223-0.6315 ( 2536 PWs) bands (ev): -31.1357 -31.1357 -12.8619 -12.8619 -12.3060 -12.3060 -12.0967 -12.0967 -9.7659 -9.7659 -9.6264 -9.6264 -0.8210 -0.8210 -0.4650 -0.4650 0.5447 0.5447 0.9436 0.9436 1.6341 1.6341 3.6310 3.6310 4.1855 4.1855 4.3932 4.3932 4.9966 4.9966 5.9943 5.9943 6.1958 6.1958 9.3255 9.3255 11.5288 11.5288 12.7401 12.7401 14.4422 14.4422 k = 0.5000-0.7116-0.6491 ( 2536 PWs) bands (ev): -31.1355 -31.1355 -12.8568 -12.8568 -12.3088 -12.3088 -12.1034 -12.1034 -9.7720 -9.7720 -9.6161 -9.6161 -0.8212 -0.8212 -0.4628 -0.4628 0.5431 0.5431 0.9446 0.9446 1.6278 1.6278 3.6483 3.6483 4.1895 4.1895 4.3969 4.3969 4.9879 4.9879 5.9970 5.9970 6.1812 6.1812 9.3564 9.3564 11.5213 11.5213 12.7691 12.7691 14.3802 14.3802 k = 0.5000-0.7010-0.6666 ( 2538 PWs) bands (ev): -31.1353 -31.1353 -12.8512 -12.8512 -12.3122 -12.3122 -12.1104 -12.1104 -9.7787 -9.7787 -9.6049 -9.6049 -0.8215 -0.8215 -0.4605 -0.4605 0.5413 0.5413 0.9456 0.9456 1.6211 1.6211 3.6673 3.6673 4.1940 4.1940 4.4008 4.4008 4.9784 4.9784 5.9989 5.9989 6.1660 6.1660 9.3907 9.3907 11.5134 11.5134 12.8010 12.8010 14.2882 14.2882 k = 0.5000-0.6903-0.6841 ( 2532 PWs) bands (ev): -31.1351 -31.1351 -12.8450 -12.8450 -12.3161 -12.3161 -12.1175 -12.1175 -9.7861 -9.7861 -9.5929 -9.5929 -0.8218 -0.8218 -0.4581 -0.4581 0.5394 0.5394 0.9467 0.9467 1.6140 1.6140 3.6879 3.6879 4.1991 4.1991 4.4050 4.4050 4.9681 4.9681 5.9996 5.9996 6.1508 6.1508 9.4283 9.4283 11.5050 11.5050 12.8356 12.8356 14.1702 14.1702 k = 0.5000-0.6797-0.7016 ( 2536 PWs) bands (ev): -31.1349 -31.1349 -12.8384 -12.8384 -12.3208 -12.3208 -12.1246 -12.1246 -9.7940 -9.7940 -9.5801 -9.5801 -0.8221 -0.8221 -0.4556 -0.4556 0.5373 0.5373 0.9479 0.9479 1.6068 1.6068 3.7100 3.7100 4.2048 4.2048 4.4094 4.4094 4.9572 4.9572 5.9982 5.9982 6.1364 6.1364 9.4693 9.4693 11.4962 11.4962 12.8727 12.8727 14.0341 14.0341 k = 0.5000-0.6690-0.7191 ( 2532 PWs) bands (ev): -31.1347 -31.1347 -12.8314 -12.8314 -12.3260 -12.3260 -12.1314 -12.1314 -9.8025 -9.8025 -9.5666 -9.5666 -0.8225 -0.8225 -0.4530 -0.4530 0.5351 0.5351 0.9492 0.9492 1.5994 1.5994 3.7335 3.7335 4.2110 4.2110 4.4140 4.4140 4.9458 4.9458 5.9939 5.9939 6.1236 6.1236 9.5136 9.5136 11.4873 11.4873 12.9121 12.9121 13.8865 13.8865 k = 0.5000-0.6583-0.7366 ( 2530 PWs) bands (ev): -31.1344 -31.1344 -12.8240 -12.8240 -12.3321 -12.3321 -12.1380 -12.1380 -9.8115 -9.8115 -9.5526 -9.5526 -0.8230 -0.8230 -0.4504 -0.4504 0.5328 0.5328 0.9505 0.9505 1.5920 1.5920 3.7583 3.7583 4.2177 4.2177 4.4187 4.4187 4.9337 4.9337 5.9861 5.9861 6.1134 6.1134 9.5610 9.5610 11.4781 11.4781 12.9535 12.9535 13.7318 13.7318 k = 0.5000-0.6477-0.7541 ( 2532 PWs) bands (ev): -31.1342 -31.1342 -12.8162 -12.8162 -12.3388 -12.3388 -12.1442 -12.1442 -9.8210 -9.8210 -9.5381 -9.5381 -0.8236 -0.8236 -0.4479 -0.4479 0.5304 0.5304 0.9519 0.9519 1.5847 1.5847 3.7841 3.7841 4.2251 4.2251 4.4236 4.4236 4.9212 4.9212 5.9742 5.9742 6.1061 6.1061 9.6116 9.6116 11.4688 11.4688 12.9967 12.9967 13.5734 13.5734 k = 0.5000-0.6370-0.7717 ( 2532 PWs) bands (ev): -31.1339 -31.1339 -12.8082 -12.8082 -12.3462 -12.3462 -12.1499 -12.1499 -9.8310 -9.8310 -9.5232 -9.5232 -0.8242 -0.8242 -0.4455 -0.4455 0.5279 0.5279 0.9532 0.9532 1.5775 1.5775 3.8109 3.8109 4.2329 4.2329 4.4285 4.4285 4.9083 4.9083 5.9587 5.9587 6.1015 6.1015 9.6651 9.6651 11.4594 11.4594 13.0409 13.0409 13.4142 13.4142 k = 0.5000-0.6264-0.7892 ( 2532 PWs) bands (ev): -31.1337 -31.1337 -12.7999 -12.7999 -12.3543 -12.3543 -12.1550 -12.1550 -9.8414 -9.8414 -9.5080 -9.5080 -0.8249 -0.8249 -0.4431 -0.4431 0.5254 0.5254 0.9545 0.9545 1.5707 1.5707 3.8386 3.8386 4.2413 4.2413 4.4335 4.4335 4.8950 4.8950 5.9401 5.9401 6.0991 6.0991 9.7214 9.7214 11.4499 11.4499 13.0830 13.0830 13.2587 13.2587 k = 0.5000-0.6157-0.8067 ( 2528 PWs) bands (ev): -31.1334 -31.1334 -12.7915 -12.7915 -12.3628 -12.3628 -12.1595 -12.1595 -9.8522 -9.8522 -9.4926 -9.4926 -0.8256 -0.8256 -0.4409 -0.4409 0.5228 0.5228 0.9557 0.9557 1.5642 1.5642 3.8668 3.8668 4.2501 4.2501 4.4385 4.4385 4.8814 4.8814 5.9194 5.9194 6.0981 6.0981 9.7805 9.7805 11.4400 11.4400 13.0687 13.0687 13.1627 13.1627 k = 0.5000-0.6050-0.8242 ( 2522 PWs) bands (ev): -31.1332 -31.1332 -12.7830 -12.7830 -12.3717 -12.3717 -12.1635 -12.1635 -9.8634 -9.8634 -9.4770 -9.4770 -0.8265 -0.8265 -0.4388 -0.4388 0.5202 0.5202 0.9568 0.9568 1.5581 1.5581 3.8956 3.8956 4.2593 4.2593 4.4436 4.4436 4.8676 4.8676 5.8972 5.8972 6.0980 6.0980 9.8421 9.8421 11.4296 11.4296 12.9283 12.9283 13.1972 13.1972 k = 0.5000-0.5944-0.8417 ( 2526 PWs) bands (ev): -31.1330 -31.1330 -12.7745 -12.7745 -12.3809 -12.3809 -12.1669 -12.1669 -9.8749 -9.8749 -9.4615 -9.4615 -0.8273 -0.8273 -0.4369 -0.4369 0.5177 0.5177 0.9578 0.9578 1.5525 1.5525 3.9246 3.9246 4.2687 4.2687 4.4487 4.4487 4.8536 4.8536 5.8741 5.8741 6.0983 6.0983 9.9061 9.9061 11.4183 11.4183 12.7791 12.7791 13.2458 13.2458 k = 0.5000-0.5837-0.8592 ( 2522 PWs) bands (ev): -31.1327 -31.1327 -12.7661 -12.7661 -12.3901 -12.3901 -12.1697 -12.1697 -9.8866 -9.8866 -9.4460 -9.4460 -0.8283 -0.8283 -0.4353 -0.4353 0.5151 0.5151 0.9587 0.9587 1.5475 1.5475 3.9536 3.9536 4.2781 4.2781 4.4539 4.4539 4.8397 4.8397 5.8505 5.8505 6.0987 6.0987 9.9723 9.9723 11.4056 11.4056 12.6343 12.6343 13.2969 13.2969 k = 0.5000-0.5731-0.8767 ( 2522 PWs) bands (ev): -31.1325 -31.1325 -12.7580 -12.7580 -12.3992 -12.3992 -12.1721 -12.1721 -9.8985 -9.8985 -9.4306 -9.4306 -0.8293 -0.8293 -0.4338 -0.4338 0.5126 0.5126 0.9593 0.9593 1.5430 1.5430 3.9824 3.9824 4.2874 4.2874 4.4592 4.4592 4.8259 4.8259 5.8268 5.8268 6.0992 6.0992 10.0403 10.0403 11.3905 11.3905 12.4966 12.4966 13.3491 13.3491 k = 0.5000-0.5624-0.8943 ( 2526 PWs) bands (ev): -31.1323 -31.1323 -12.7501 -12.7501 -12.4079 -12.4079 -12.1741 -12.1741 -9.9106 -9.9106 -9.4154 -9.4154 -0.8303 -0.8303 -0.4326 -0.4326 0.5102 0.5102 0.9597 0.9597 1.5392 1.5392 4.0107 4.0107 4.2962 4.2962 4.4648 4.4648 4.8125 4.8125 5.8032 5.8032 6.0995 6.0995 10.1098 10.1098 11.3719 11.3719 12.3683 12.3683 13.4020 13.4020 k = 0.5000-0.5518-0.9118 ( 2522 PWs) bands (ev): -31.1321 -31.1321 -12.7427 -12.7427 -12.4161 -12.4161 -12.1757 -12.1757 -9.9228 -9.9228 -9.4005 -9.4005 -0.8313 -0.8313 -0.4315 -0.4315 0.5078 0.5078 0.9600 0.9600 1.5360 1.5360 4.0382 4.0382 4.3041 4.3041 4.4708 4.4708 4.7997 4.7997 5.7799 5.7799 6.0996 6.0996 10.1803 10.1803 11.3484 11.3484 12.2520 12.2520 13.4554 13.4554 k = 0.5000-0.5411-0.9293 ( 2524 PWs) bands (ev): -31.1320 -31.1320 -12.7359 -12.7359 -12.4235 -12.4235 -12.1770 -12.1770 -9.9351 -9.9351 -9.3860 -9.3860 -0.8324 -0.8324 -0.4308 -0.4308 0.5056 0.5056 0.9600 0.9600 1.5334 1.5334 4.0646 4.0646 4.3107 4.3107 4.4774 4.4774 4.7880 4.7880 5.7572 5.7572 6.0996 6.0996 10.2510 10.2510 11.3184 11.3184 12.1504 12.1504 13.5089 13.5089 k = 0.5000-0.5304-0.9468 ( 2522 PWs) bands (ev): -31.1319 -31.1319 -12.7298 -12.7298 -12.4299 -12.4299 -12.1780 -12.1780 -9.9474 -9.9474 -9.3719 -9.3719 -0.8335 -0.8335 -0.4303 -0.4303 0.5035 0.5035 0.9598 0.9598 1.5314 1.5314 4.0896 4.0896 4.3152 4.3152 4.4848 4.4848 4.7777 4.7777 5.7352 5.7352 6.0993 6.0993 10.3209 10.3209 11.2809 11.2809 12.0660 12.0660 13.5624 13.5624 k = 0.5000-0.5198-0.9643 ( 2522 PWs) bands (ev): -31.1318 -31.1318 -12.7245 -12.7245 -12.4352 -12.4352 -12.1788 -12.1788 -9.9597 -9.9597 -9.3583 -9.3583 -0.8346 -0.8346 -0.4300 -0.4300 0.5015 0.5015 0.9595 0.9595 1.5299 1.5299 4.1126 4.1126 4.3170 4.3170 4.4934 4.4934 4.7694 4.7694 5.7141 5.7141 6.0990 6.0990 10.3880 10.3880 11.2363 11.2363 12.0006 12.0006 13.6155 13.6155 k = 0.5000-0.5091-0.9818 ( 2526 PWs) bands (ev): -31.1317 -31.1317 -12.7202 -12.7202 -12.4393 -12.4393 -12.1794 -12.1794 -9.9718 -9.9718 -9.3453 -9.3453 -0.8357 -0.8357 -0.4299 -0.4299 0.4997 0.4997 0.9590 0.9590 1.5290 1.5290 4.1333 4.1333 4.3153 4.3153 4.5034 4.5034 4.7636 4.7636 5.6939 5.6939 6.0986 6.0986 10.4495 10.4495 11.1879 11.1879 11.9541 11.9541 13.6680 13.6680 k = 0.5000-0.4985-0.9993 ( 2528 PWs) bands (ev): -31.1317 -31.1317 -12.7169 -12.7169 -12.4419 -12.4419 -12.1798 -12.1798 -9.9838 -9.9838 -9.3329 -9.3329 -0.8367 -0.8367 -0.4300 -0.4300 0.4980 0.4980 0.9583 0.9583 1.5285 1.5285 4.1514 4.1514 4.3095 4.3095 4.5151 4.5151 4.7607 4.7607 5.6748 5.6748 6.0982 6.0982 10.5003 10.5003 11.1425 11.1425 11.9251 11.9251 13.7195 13.7195 k = 0.5000-0.4878-1.0169 ( 2532 PWs) bands (ev): -31.1316 -31.1316 -12.7146 -12.7146 -12.4432 -12.4432 -12.1801 -12.1801 -9.9956 -9.9956 -9.3211 -9.3211 -0.8378 -0.8378 -0.4304 -0.4304 0.4965 0.4965 0.9576 0.9576 1.5284 1.5284 4.1664 4.1664 4.2991 4.2991 4.5287 4.5287 4.7611 4.7611 5.6569 5.6569 6.0979 6.0979 10.5328 10.5328 11.1103 11.1103 11.9112 11.9112 13.7696 13.7696 k = 0.5000-0.4771-1.0344 ( 2526 PWs) bands (ev): -31.1317 -31.1317 -12.7132 -12.7132 -12.4430 -12.4430 -12.1802 -12.1802 -10.0071 -10.0071 -9.3101 -9.3101 -0.8387 -0.8387 -0.4309 -0.4309 0.4953 0.4953 0.9569 0.9569 1.5287 1.5287 4.1779 4.1779 4.2841 4.2841 4.5442 4.5442 4.7649 4.7649 5.6403 5.6403 6.0978 6.0978 10.5388 10.5388 11.1022 11.1022 11.9099 11.9099 13.8179 13.8179 k = 0.5000-0.4665-1.0519 ( 2522 PWs) bands (ev): -31.1317 -31.1317 -12.7127 -12.7127 -12.4414 -12.4414 -12.1802 -12.1802 -10.0183 -10.0183 -9.2999 -9.2999 -0.8396 -0.8396 -0.4315 -0.4315 0.4942 0.4942 0.9561 0.9561 1.5292 1.5292 4.1854 4.1854 4.2649 4.2649 4.5615 4.5615 4.7720 4.7720 5.6250 5.6250 6.0979 6.0979 10.5159 10.5159 11.1231 11.1231 11.9189 11.9189 13.8633 13.8633 k = 0.5000-0.4558-1.0694 ( 2524 PWs) bands (ev): -31.1318 -31.1318 -12.7131 -12.7131 -12.4387 -12.4387 -12.1801 -12.1801 -10.0291 -10.0291 -9.2905 -9.2905 -0.8404 -0.8404 -0.4323 -0.4323 0.4934 0.4934 0.9554 0.9554 1.5299 1.5299 4.1871 4.1871 4.2434 4.2434 4.5803 4.5803 4.7823 4.7823 5.6112 5.6112 6.0984 6.0984 10.4699 10.4699 11.1689 11.1689 11.9366 11.9366 13.9036 13.9036 k = 0.8148-0.3662-0.8963 ( 2524 PWs) bands (ev): -31.1318 -31.1318 -12.7131 -12.7131 -12.4387 -12.4387 -12.1801 -12.1801 -10.0291 -10.0291 -9.2905 -9.2905 -0.8404 -0.8404 -0.4323 -0.4323 0.4934 0.4934 0.9554 0.9554 1.5299 1.5299 4.1871 4.1871 4.2434 4.2434 4.5803 4.5803 4.7823 4.7823 5.6112 5.6112 6.0984 6.0984 10.4699 10.4699 11.1689 11.1689 11.9366 11.9366 13.9035 13.9037 k = 0.8092-0.3572-0.8787 ( 2524 PWs) bands (ev): -31.1320 -31.1320 -12.7140 -12.7140 -12.4349 -12.4349 -12.1799 -12.1799 -10.0395 -10.0395 -9.2819 -9.2819 -0.8412 -0.8412 -0.4333 -0.4333 0.4928 0.4928 0.9547 0.9547 1.5306 1.5306 4.1780 4.1780 4.2249 4.2249 4.6005 4.6005 4.7953 4.7953 5.5988 5.5988 6.0992 6.0992 10.4098 10.4098 11.2321 11.2321 11.9619 11.9619 13.9264 13.9278 k = 0.8036-0.3481-0.8612 ( 2522 PWs) bands (ev): -31.1322 -31.1322 -12.7154 -12.7154 -12.4302 -12.4302 -12.1796 -12.1796 -10.0494 -10.0494 -9.2742 -9.2742 -0.8418 -0.8418 -0.4343 -0.4343 0.4925 0.4925 0.9542 0.9542 1.5315 1.5315 4.1532 4.1532 4.2148 4.2148 4.6217 4.6217 4.8107 4.8107 5.5880 5.5880 6.1005 6.1005 10.3429 10.3429 11.3060 11.3060 11.9939 11.9939 13.9083 13.9084 k = 0.7980-0.3390-0.8436 ( 2530 PWs) bands (ev): -31.1324 -31.1324 -12.7170 -12.7170 -12.4249 -12.4249 -12.1792 -12.1792 -10.0587 -10.0587 -9.2675 -9.2675 -0.8423 -0.8423 -0.4353 -0.4353 0.4924 0.4924 0.9538 0.9538 1.5323 1.5323 4.1176 4.1176 4.2087 4.2087 4.6435 4.6435 4.8279 4.8279 5.5787 5.5787 6.1023 6.1023 10.2741 10.2741 11.3866 11.3866 12.0320 12.0320 13.8788 13.8788 k = 0.7924-0.3299-0.8261 ( 2532 PWs) bands (ev): -31.1327 -31.1327 -12.7188 -12.7188 -12.4192 -12.4192 -12.1786 -12.1786 -10.0675 -10.0675 -9.2618 -9.2618 -0.8427 -0.8427 -0.4365 -0.4365 0.4926 0.4926 0.9537 0.9537 1.5330 1.5330 4.0758 4.0758 4.2027 4.2027 4.6658 4.6658 4.8466 4.8466 5.5711 5.5711 6.1047 6.1047 10.2062 10.2062 11.4713 11.4713 12.0758 12.0758 13.8482 13.8482 k = 0.7867-0.3208-0.8085 ( 2534 PWs) bands (ev): -31.1331 -31.1331 -12.7205 -12.7205 -12.4132 -12.4132 -12.1778 -12.1778 -10.0756 -10.0756 -9.2570 -9.2570 -0.8430 -0.8430 -0.4376 -0.4376 0.4931 0.4931 0.9538 0.9538 1.5336 1.5336 4.0296 4.0296 4.1954 4.1954 4.6881 4.6881 4.8664 4.8664 5.5651 5.5651 6.1076 6.1076 10.1410 10.1410 11.5585 11.5585 12.1250 12.1250 13.8182 13.8183 k = 0.7811-0.3118-0.7910 ( 2540 PWs) bands (ev): -31.1335 -31.1335 -12.7221 -12.7221 -12.4071 -12.4071 -12.1769 -12.1769 -10.0831 -10.0831 -9.2533 -9.2533 -0.8431 -0.8431 -0.4388 -0.4388 0.4939 0.4939 0.9542 0.9542 1.5340 1.5340 3.9797 3.9797 4.1866 4.1866 4.7102 4.7102 4.8868 4.8868 5.5607 5.5607 6.1112 6.1112 10.0798 10.0798 11.6471 11.6471 12.1794 12.1794 13.7893 13.7893 k = 0.7755-0.3027-0.7734 ( 2538 PWs) bands (ev): -31.1339 -31.1339 -12.7233 -12.7233 -12.4011 -12.4011 -12.1757 -12.1757 -10.0898 -10.0898 -9.2506 -9.2506 -0.8430 -0.8430 -0.4399 -0.4399 0.4950 0.4950 0.9548 0.9548 1.5342 1.5342 3.9265 3.9265 4.1764 4.1764 4.7319 4.7319 4.9075 4.9075 5.5580 5.5580 6.1153 6.1153 10.0233 10.0233 11.7364 11.7364 12.2386 12.2386 13.7616 13.7616 k = 0.7699-0.2936-0.7559 ( 2534 PWs) bands (ev): -31.1344 -31.1344 -12.7241 -12.7241 -12.3953 -12.3953 -12.1743 -12.1743 -10.0958 -10.0958 -9.2490 -9.2490 -0.8428 -0.8428 -0.4410 -0.4410 0.4964 0.4964 0.9558 0.9558 1.5341 1.5341 3.8704 3.8704 4.1647 4.1647 4.7531 4.7531 4.9283 4.9283 5.5570 5.5570 6.1201 6.1201 9.9721 9.9721 11.8258 11.8258 12.3023 12.3023 13.7354 13.7354 k = 0.7642-0.2845-0.7383 ( 2534 PWs) bands (ev): -31.1349 -31.1349 -12.7244 -12.7244 -12.3900 -12.3900 -12.1726 -12.1726 -10.1010 -10.1010 -9.2485 -9.2485 -0.8425 -0.8425 -0.4421 -0.4421 0.4981 0.4981 0.9571 0.9571 1.5338 1.5338 3.8116 3.8116 4.1517 4.1517 4.7735 4.7735 4.9489 4.9489 5.5577 5.5577 6.1255 6.1255 9.9263 9.9263 11.9149 11.9149 12.3700 12.3700 13.7109 13.7109 k = 0.7586-0.2754-0.7208 ( 2538 PWs) bands (ev): -31.1355 -31.1355 -12.7242 -12.7242 -12.3851 -12.3851 -12.1706 -12.1706 -10.1054 -10.1054 -9.2491 -9.2491 -0.8420 -0.8420 -0.4431 -0.4431 0.5001 0.5001 0.9588 0.9588 1.5332 1.5332 3.7506 3.7506 4.1374 4.1374 4.7930 4.7930 4.9690 4.9690 5.5601 5.5601 6.1315 6.1315 9.8864 9.8864 12.0036 12.0036 12.4412 12.4412 13.6883 13.6883 k = 0.7530-0.2664-0.7032 ( 2536 PWs) bands (ev): -31.1361 -31.1361 -12.7234 -12.7234 -12.3807 -12.3807 -12.1682 -12.1682 -10.1089 -10.1089 -9.2508 -9.2508 -0.8414 -0.8414 -0.4440 -0.4440 0.5025 0.5025 0.9608 0.9608 1.5323 1.5323 3.6874 3.6874 4.1221 4.1221 4.8116 4.8116 4.9885 4.9885 5.5641 5.5641 6.1380 6.1380 9.8523 9.8523 12.0916 12.0916 12.5151 12.5151 13.6678 13.6678 k = 0.7474-0.2573-0.6857 ( 2538 PWs) bands (ev): -31.1368 -31.1368 -12.7220 -12.7220 -12.3770 -12.3770 -12.1654 -12.1654 -10.1116 -10.1116 -9.2535 -9.2535 -0.8406 -0.8406 -0.4448 -0.4448 0.5053 0.5053 0.9632 0.9632 1.5311 1.5311 3.6224 3.6224 4.1057 4.1057 4.8290 4.8290 5.0070 5.0070 5.5698 5.5698 6.1451 6.1451 9.8241 9.8241 12.1790 12.1790 12.5908 12.5908 13.6498 13.6498 k = 0.7418-0.2482-0.6681 ( 2538 PWs) bands (ev): -31.1375 -31.1375 -12.7199 -12.7199 -12.3740 -12.3740 -12.1623 -12.1623 -10.1134 -10.1134 -9.2574 -9.2574 -0.8396 -0.8396 -0.4456 -0.4456 0.5083 0.5083 0.9659 0.9659 1.5295 1.5295 3.5559 3.5559 4.0884 4.0884 4.8454 4.8454 5.0245 5.0245 5.5771 5.5771 6.1528 6.1528 9.8018 9.8018 12.2655 12.2655 12.6672 12.6672 13.6347 13.6347 k = 0.7361-0.2391-0.6506 ( 2542 PWs) bands (ev): -31.1383 -31.1383 -12.7172 -12.7172 -12.3717 -12.3717 -12.1589 -12.1589 -10.1144 -10.1144 -9.2624 -9.2624 -0.8385 -0.8385 -0.4462 -0.4462 0.5117 0.5117 0.9690 0.9690 1.5277 1.5277 3.4880 3.4880 4.0703 4.0703 4.8605 4.8605 5.0408 5.0408 5.5860 5.5860 6.1611 6.1611 9.7852 9.7852 12.3510 12.3510 12.7429 12.7429 13.6227 13.6227 k = 0.7305-0.2300-0.6330 ( 2538 PWs) bands (ev): -31.1391 -31.1391 -12.7138 -12.7138 -12.3701 -12.3701 -12.1550 -12.1550 -10.1145 -10.1145 -9.2685 -9.2685 -0.8373 -0.8373 -0.4467 -0.4467 0.5154 0.5154 0.9724 0.9724 1.5256 1.5256 3.4190 3.4190 4.0514 4.0514 4.8745 4.8745 5.0557 5.0557 5.5966 5.5966 6.1699 6.1699 9.7741 9.7741 12.4354 12.4354 12.8166 12.8166 13.6144 13.6144 k = 0.7249-0.2210-0.6155 ( 2542 PWs) bands (ev): -31.1400 -31.1400 -12.7098 -12.7098 -12.3692 -12.3692 -12.1509 -12.1509 -10.1138 -10.1138 -9.2757 -9.2757 -0.8359 -0.8359 -0.4472 -0.4472 0.5195 0.5195 0.9762 0.9762 1.5233 1.5233 3.3493 3.3493 4.0318 4.0318 4.8872 4.8872 5.0693 5.0693 5.6087 5.6087 6.1792 6.1792 9.7684 9.7684 12.5180 12.5180 12.8864 12.8864 13.6099 13.6099 k = 0.7193-0.2119-0.5979 ( 2542 PWs) bands (ev): -31.1409 -31.1409 -12.7053 -12.7053 -12.3688 -12.3688 -12.1464 -12.1464 -10.1122 -10.1122 -9.2839 -9.2839 -0.8345 -0.8345 -0.4475 -0.4475 0.5238 0.5238 0.9803 0.9803 1.5207 1.5207 3.2789 3.2789 4.0115 4.0115 4.8987 4.8987 5.0812 5.0812 5.6223 5.6223 6.1890 6.1890 9.7679 9.7679 12.5982 12.5982 12.9508 12.9508 13.6094 13.6094 k = 0.7136-0.2028-0.5804 ( 2542 PWs) bands (ev): -31.1418 -31.1418 -12.7002 -12.7002 -12.3689 -12.3689 -12.1417 -12.1417 -10.1097 -10.1097 -9.2932 -9.2932 -0.8329 -0.8329 -0.4477 -0.4477 0.5285 0.5285 0.9847 0.9847 1.5178 1.5178 3.2083 3.2083 3.9908 3.9908 4.9089 4.9089 5.0915 5.0915 5.6375 5.6375 6.1995 6.1995 9.7722 9.7722 12.6751 12.6751 13.0081 13.0081 13.6121 13.6121 k = 0.7080-0.1937-0.5628 ( 2538 PWs) bands (ev): -31.1428 -31.1428 -12.6945 -12.6945 -12.3694 -12.3694 -12.1368 -12.1368 -10.1065 -10.1065 -9.3035 -9.3035 -0.8313 -0.8313 -0.4478 -0.4478 0.5335 0.5335 0.9895 0.9895 1.5148 1.5148 3.1375 3.1375 3.9695 3.9695 4.9180 4.9180 5.1002 5.1002 5.6542 5.6542 6.2104 6.2104 9.7810 9.7810 12.7471 12.7471 13.0571 13.0571 13.6164 13.6164 k = 0.7024-0.1846-0.5453 ( 2542 PWs) bands (ev): -31.1438 -31.1438 -12.6886 -12.6886 -12.3702 -12.3702 -12.1318 -12.1318 -10.1025 -10.1025 -9.3148 -9.3148 -0.8296 -0.8296 -0.4479 -0.4479 0.5387 0.5387 0.9945 0.9945 1.5115 1.5115 3.0669 3.0669 3.9478 3.9478 4.9260 4.9260 5.1072 5.1072 5.6723 5.6723 6.2220 6.2220 9.7941 9.7941 12.8125 12.8125 13.0973 13.0973 13.6198 13.6198 k = 0.6968-0.1756-0.5277 ( 2540 PWs) bands (ev): -31.1448 -31.1448 -12.6823 -12.6823 -12.3711 -12.3711 -12.1265 -12.1265 -10.0977 -10.0977 -9.3271 -9.3271 -0.8278 -0.8278 -0.4478 -0.4478 0.5442 0.5442 0.9999 0.9999 1.5081 1.5081 2.9967 2.9967 3.9257 3.9257 4.9328 4.9328 5.1124 5.1124 5.6918 5.6918 6.2340 6.2340 9.8111 9.8111 12.8686 12.8686 13.1292 13.1292 13.6206 13.6206 k = 0.6912-0.1665-0.5102 ( 2536 PWs) bands (ev): -31.1459 -31.1459 -12.6758 -12.6758 -12.3720 -12.3720 -12.1212 -12.1212 -10.0923 -10.0923 -9.3403 -9.3403 -0.8261 -0.8261 -0.4476 -0.4476 0.5500 0.5500 1.0055 1.0055 1.5045 1.5045 2.9271 2.9271 3.9033 3.9033 4.9385 4.9385 5.1160 5.1160 5.7127 5.7127 6.2466 6.2466 9.8317 9.8317 12.9128 12.9128 13.1542 13.1542 13.6193 13.6193 k = 0.6855-0.1574-0.4926 ( 2542 PWs) bands (ev): -31.1470 -31.1470 -12.6692 -12.6692 -12.3728 -12.3728 -12.1159 -12.1159 -10.0862 -10.0862 -9.3544 -9.3544 -0.8243 -0.8243 -0.4474 -0.4474 0.5559 0.5559 1.0113 1.0113 1.5009 1.5009 2.8583 2.8583 3.8807 3.8807 4.9432 4.9432 5.1179 5.1179 5.7348 5.7348 6.2596 6.2596 9.8555 9.8555 12.9419 12.9419 13.1743 13.1743 13.6183 13.6183 k = 0.6799-0.1483-0.4751 ( 2542 PWs) bands (ev): -31.1482 -31.1482 -12.6628 -12.6628 -12.3732 -12.3732 -12.1105 -12.1105 -10.0795 -10.0795 -9.3694 -9.3694 -0.8225 -0.8225 -0.4472 -0.4472 0.5620 0.5620 1.0174 1.0174 1.4971 1.4971 2.7905 2.7905 3.8579 3.8579 4.9469 4.9469 5.1182 5.1182 5.7583 5.7583 6.2732 6.2732 9.8822 9.8822 12.9537 12.9537 13.1912 13.1912 13.6204 13.6204 k = 0.6743-0.1392-0.4575 ( 2544 PWs) bands (ev): -31.1493 -31.1493 -12.6565 -12.6565 -12.3731 -12.3731 -12.1052 -12.1052 -10.0722 -10.0722 -9.3852 -9.3852 -0.8208 -0.8208 -0.4469 -0.4469 0.5683 0.5683 1.0237 1.0237 1.4932 1.4932 2.7239 2.7239 3.8349 3.8349 4.9497 4.9497 5.1170 5.1170 5.7830 5.7830 6.2871 6.2871 9.9115 9.9115 12.9479 12.9479 13.2060 13.2060 13.6276 13.6276 k = 0.6687-0.1302-0.4400 ( 2540 PWs) bands (ev): -31.1505 -31.1505 -12.6507 -12.6507 -12.3723 -12.3723 -12.0998 -12.0998 -10.0644 -10.0644 -9.4018 -9.4018 -0.8191 -0.8191 -0.4465 -0.4465 0.5747 0.5747 1.0302 1.0302 1.4893 1.4893 2.6588 2.6588 3.8119 3.8119 4.9515 4.9515 5.1143 5.1143 5.8088 5.8088 6.3014 6.3014 9.9431 9.9431 12.9258 12.9258 13.2194 13.2194 13.6400 13.6400 k = 0.6630-0.1211-0.4224 ( 2542 PWs) bands (ev): -31.1516 -31.1516 -12.6455 -12.6455 -12.3706 -12.3706 -12.0945 -12.0945 -10.0562 -10.0562 -9.4191 -9.4191 -0.8175 -0.8175 -0.4462 -0.4462 0.5812 0.5812 1.0369 1.0369 1.4854 1.4854 2.5952 2.5952 3.7888 3.7888 4.9525 4.9525 5.1103 5.1103 5.8357 5.8357 6.3160 6.3160 9.9765 9.9765 12.8901 12.8901 13.2317 13.2317 13.6567 13.6567 k = 0.6574-0.1120-0.4048 ( 2550 PWs) bands (ev): -31.1528 -31.1528 -12.6410 -12.6410 -12.3679 -12.3679 -12.0893 -12.0893 -10.0476 -10.0476 -9.4370 -9.4370 -0.8160 -0.8160 -0.4458 -0.4458 0.5877 0.5877 1.0438 1.0438 1.4815 1.4815 2.5333 2.5333 3.7658 3.7658 4.9528 4.9528 5.1052 5.1052 5.8637 5.8637 6.3309 6.3309 10.0114 10.0114 12.8433 12.8433 13.2434 13.2434 13.6762 13.6762 k = 0.6518-0.1029-0.3873 ( 2548 PWs) bands (ev): -31.1540 -31.1540 -12.6373 -12.6373 -12.3640 -12.3640 -12.0840 -12.0840 -10.0386 -10.0386 -9.4556 -9.4556 -0.8146 -0.8146 -0.4455 -0.4455 0.5942 0.5942 1.0507 1.0507 1.4775 1.4775 2.4733 2.4733 3.7428 3.7428 4.9523 4.9523 5.0989 5.0989 5.8926 5.8926 6.3460 6.3460 10.0477 10.0477 12.7881 12.7881 13.2552 13.2552 13.6971 13.6971 k = 0.6462-0.0938-0.3697 ( 2544 PWs) bands (ev): -31.1552 -31.1552 -12.6346 -12.6346 -12.3589 -12.3589 -12.0788 -12.0788 -10.0294 -10.0294 -9.4747 -9.4747 -0.8133 -0.8133 -0.4452 -0.4452 0.6007 0.6007 1.0578 1.0578 1.4736 1.4736 2.4153 2.4153 3.7201 3.7201 4.9511 4.9511 5.0916 5.0916 5.9223 5.9223 6.3612 6.3612 10.0850 10.0850 12.7265 12.7265 13.2673 13.2673 13.7181 13.7181 k = 0.6406-0.0848-0.3522 ( 2538 PWs) bands (ev): -31.1564 -31.1564 -12.6329 -12.6329 -12.3525 -12.3525 -12.0736 -12.0736 -10.0199 -10.0199 -9.4942 -9.4942 -0.8122 -0.8122 -0.4449 -0.4449 0.6072 0.6072 1.0650 1.0650 1.4698 1.4698 2.3595 2.3595 3.6975 3.6975 4.9493 4.9493 5.0835 5.0835 5.9529 5.9529 6.3765 6.3765 10.1231 10.1231 12.6602 12.6602 13.2803 13.2803 13.7387 13.7387 k = 0.6349-0.0757-0.3346 ( 2536 PWs) bands (ev): -31.1576 -31.1576 -12.6323 -12.6323 -12.3448 -12.3448 -12.0684 -12.0684 -10.0102 -10.0102 -9.5142 -9.5142 -0.8111 -0.8111 -0.4447 -0.4447 0.6136 0.6136 1.0722 1.0722 1.4659 1.4659 2.3059 2.3059 3.6752 3.6752 4.9469 4.9469 5.0746 5.0746 5.9841 5.9841 6.3918 6.3918 10.1616 10.1616 12.5904 12.5904 13.2943 13.2943 13.7581 13.7581 k = 0.6293-0.0666-0.3171 ( 2534 PWs) bands (ev): -31.1588 -31.1588 -12.6326 -12.6326 -12.3360 -12.3360 -12.0633 -12.0633 -10.0005 -10.0005 -9.5345 -9.5345 -0.8103 -0.8103 -0.4445 -0.4445 0.6198 0.6198 1.0794 1.0794 1.4621 1.4621 2.2547 2.2547 3.6532 3.6532 4.9440 4.9440 5.0652 5.0652 6.0159 6.0159 6.4070 6.4070 10.2004 10.2004 12.5183 12.5183 13.3095 13.3095 13.7762 13.7762 k = 0.6237-0.0575-0.2995 ( 2540 PWs) bands (ev): -31.1599 -31.1599 -12.6338 -12.6338 -12.3262 -12.3262 -12.0581 -12.0581 -9.9907 -9.9907 -9.5550 -9.5550 -0.8096 -0.8096 -0.4444 -0.4444 0.6259 0.6259 1.0867 1.0867 1.4584 1.4584 2.2059 2.2059 3.6316 3.6316 4.9406 4.9406 5.0553 5.0553 6.0481 6.0481 6.4221 6.4221 10.2391 10.2391 12.4446 12.4446 13.3261 13.3261 13.7929 13.7929 k = 0.6181-0.0484-0.2820 ( 2542 PWs) bands (ev): -31.1611 -31.1611 -12.6359 -12.6359 -12.3155 -12.3155 -12.0529 -12.0529 -9.9809 -9.9809 -9.5758 -9.5758 -0.8091 -0.8091 -0.4444 -0.4444 0.6318 0.6318 1.0939 1.0939 1.4547 1.4547 2.1597 2.1597 3.6104 3.6104 4.9369 4.9369 5.0450 5.0450 6.0806 6.0806 6.4370 6.4370 10.2776 10.2776 12.3701 12.3701 13.3441 13.3441 13.8080 13.8080 k = 0.6124-0.0394-0.2644 ( 2538 PWs) bands (ev): -31.1622 -31.1622 -12.6386 -12.6386 -12.3041 -12.3041 -12.0476 -12.0476 -9.9712 -9.9712 -9.5965 -9.5965 -0.8087 -0.8087 -0.4445 -0.4445 0.6375 0.6375 1.1010 1.1010 1.4511 1.4511 2.1160 2.1160 3.5897 3.5897 4.9327 4.9327 5.0345 5.0345 6.1133 6.1133 6.4517 6.4517 10.3158 10.3158 12.2954 12.2954 13.3635 13.3635 13.8215 13.8215 k = 0.6068-0.0303-0.2469 ( 2536 PWs) bands (ev): -31.1633 -31.1633 -12.6418 -12.6418 -12.2922 -12.2922 -12.0422 -12.0422 -9.9616 -9.9616 -9.6173 -9.6173 -0.8085 -0.8085 -0.4446 -0.4446 0.6429 0.6429 1.1081 1.1081 1.4475 1.4475 2.0749 2.0749 3.5696 3.5696 4.9283 4.9283 5.0239 5.0239 6.1460 6.1460 6.4660 6.4660 10.3533 10.3533 12.2210 12.2210 13.3844 13.3844 13.8334 13.8334 k = 0.6012-0.0212-0.2293 ( 2534 PWs) bands (ev): -31.1643 -31.1643 -12.6456 -12.6456 -12.2800 -12.2800 -12.0368 -12.0368 -9.9521 -9.9521 -9.6379 -9.6379 -0.8084 -0.8084 -0.4449 -0.4449 0.6480 0.6480 1.1150 1.1150 1.4441 1.4441 2.0365 2.0365 3.5502 3.5502 4.9236 4.9236 5.0132 5.0132 6.1786 6.1786 6.4801 6.4801 10.3899 10.3899 12.1475 12.1475 13.4067 13.4067 13.8435 13.8435 k = 0.5956-0.0121-0.2118 ( 2534 PWs) bands (ev): -31.1654 -31.1654 -12.6496 -12.6496 -12.2678 -12.2678 -12.0311 -12.0311 -9.9429 -9.9429 -9.6584 -9.6584 -0.8086 -0.8086 -0.4452 -0.4452 0.6529 0.6529 1.1217 1.1217 1.4407 1.4407 2.0007 2.0007 3.5313 3.5313 4.9186 4.9186 5.0027 5.0027 6.2108 6.2108 6.4939 6.4939 10.4256 10.4256 12.0752 12.0752 13.4301 13.4301 13.8518 13.8518 k = 0.5900-0.0030-0.1942 ( 2542 PWs) bands (ev): -31.1664 -31.1664 -12.6539 -12.6539 -12.2556 -12.2556 -12.0254 -12.0254 -9.9339 -9.9339 -9.6785 -9.6785 -0.8088 -0.8088 -0.4456 -0.4456 0.6574 0.6574 1.1282 1.1282 1.4373 1.4373 1.9676 1.9676 3.5133 3.5133 4.9135 4.9135 4.9924 4.9924 6.2425 6.2425 6.5072 6.5072 10.4600 10.4600 12.0045 12.0045 13.4548 13.4548 13.8582 13.8582 k = 0.5843 0.0061-0.1767 ( 2540 PWs) bands (ev): -31.1673 -31.1673 -12.6583 -12.6583 -12.2436 -12.2436 -12.0195 -12.0195 -9.9253 -9.9253 -9.6981 -9.6981 -0.8092 -0.8092 -0.4460 -0.4460 0.6616 0.6616 1.1346 1.1346 1.4341 1.4341 1.9371 1.9371 3.4959 3.4959 4.9083 4.9083 4.9824 4.9824 6.2734 6.2734 6.5203 6.5203 10.4932 10.4932 11.9359 11.9359 13.4804 13.4804 13.8625 13.8625 k = 0.5787 0.0151-0.1591 ( 2542 PWs) bands (ev): -31.1682 -31.1682 -12.6627 -12.6627 -12.2321 -12.2321 -12.0134 -12.0134 -9.9170 -9.9170 -9.7173 -9.7173 -0.8098 -0.8098 -0.4465 -0.4465 0.6655 0.6655 1.1406 1.1406 1.4309 1.4309 1.9092 1.9092 3.4795 3.4795 4.9030 4.9030 4.9727 4.9727 6.3034 6.3034 6.5329 6.5329 10.5249 10.5249 11.8698 11.8698 13.5067 13.5067 13.8645 13.8645 k = 0.5731 0.0242-0.1416 ( 2548 PWs) bands (ev): -31.1691 -31.1691 -12.6672 -12.6672 -12.2212 -12.2212 -12.0072 -12.0072 -9.9091 -9.9091 -9.7358 -9.7358 -0.8104 -0.8104 -0.4471 -0.4471 0.6691 0.6691 1.1463 1.1463 1.4278 1.4278 1.8837 1.8837 3.4639 3.4639 4.8977 4.8977 4.9636 4.9636 6.3321 6.3321 6.5452 6.5452 10.5550 10.5550 11.8063 11.8063 13.5335 13.5335 13.8639 13.8639 k = 0.5675 0.0333-0.1240 ( 2554 PWs) bands (ev): -31.1699 -31.1699 -12.6715 -12.6715 -12.2109 -12.2109 -12.0009 -12.0009 -9.9016 -9.9016 -9.7535 -9.7535 -0.8111 -0.8111 -0.4477 -0.4477 0.6724 0.6724 1.1517 1.1517 1.4249 1.4249 1.8608 1.8608 3.4493 3.4493 4.8924 4.8924 4.9549 4.9549 6.3594 6.3594 6.5572 6.5572 10.5834 10.5834 11.7460 11.7460 13.5606 13.5606 13.8607 13.8607 k = 0.5618 0.0424-0.1065 ( 2552 PWs) bands (ev): -31.1707 -31.1707 -12.6757 -12.6757 -12.2013 -12.2013 -11.9945 -11.9945 -9.8946 -9.8946 -9.7704 -9.7704 -0.8119 -0.8119 -0.4483 -0.4483 0.6753 0.6753 1.1568 1.1568 1.4221 1.4221 1.8402 1.8402 3.4356 3.4356 4.8871 4.8871 4.9469 4.9469 6.3849 6.3849 6.5688 6.5688 10.6100 10.6100 11.6891 11.6891 13.5876 13.5876 13.8549 13.8549 k = 0.5562 0.0515-0.0889 ( 2552 PWs) bands (ev): -31.1714 -31.1714 -12.6796 -12.6796 -12.1926 -12.1926 -11.9881 -11.9881 -9.8881 -9.8881 -9.7862 -9.7862 -0.8127 -0.8127 -0.4489 -0.4489 0.6780 0.6780 1.1615 1.1615 1.4194 1.4194 1.8218 1.8218 3.4230 3.4230 4.8820 4.8820 4.9396 4.9396 6.4086 6.4086 6.5802 6.5802 10.6346 10.6346 11.6359 11.6359 13.6141 13.6141 13.8469 13.8469 k = 0.5506 0.0605-0.0714 ( 2552 PWs) bands (ev): -31.1720 -31.1720 -12.6833 -12.6833 -12.1848 -12.1848 -11.9818 -11.9818 -9.8822 -9.8822 -9.8009 -9.8009 -0.8135 -0.8135 -0.4495 -0.4495 0.6803 0.6803 1.1657 1.1657 1.4169 1.4169 1.8057 1.8057 3.4114 3.4114 4.8771 4.8771 4.9329 4.9329 6.4300 6.4300 6.5912 6.5912 10.6572 10.6572 11.5868 11.5868 13.6399 13.6399 13.8372 13.8372 k = 0.5450 0.0696-0.0538 ( 2550 PWs) bands (ev): -31.1726 -31.1726 -12.6867 -12.6867 -12.1778 -12.1778 -11.9757 -11.9757 -9.8768 -9.8768 -9.8145 -9.8145 -0.8143 -0.8143 -0.4501 -0.4501 0.6823 0.6823 1.1696 1.1696 1.4146 1.4146 1.7916 1.7916 3.4010 3.4010 4.8724 4.8724 4.9269 4.9269 6.4491 6.4491 6.6018 6.6018 10.6777 10.6777 11.5419 11.5419 13.6644 13.6644 13.8266 13.8266 k = 0.5394 0.0787-0.0363 ( 2548 PWs) bands (ev): -31.1731 -31.1731 -12.6898 -12.6898 -12.1718 -12.1718 -11.9699 -11.9699 -9.8720 -9.8720 -9.8266 -9.8266 -0.8151 -0.8151 -0.4507 -0.4507 0.6841 0.6841 1.1730 1.1730 1.4125 1.4125 1.7795 1.7795 3.3916 3.3916 4.8681 4.8681 4.9217 4.9217 6.4658 6.4658 6.6120 6.6120 10.6960 10.6960 11.5017 11.5017 13.6873 13.6873 13.8158 13.8158 k = 0.5337 0.0878-0.0187 ( 2550 PWs) bands (ev): -31.1736 -31.1736 -12.6925 -12.6925 -12.1666 -12.1666 -11.9646 -11.9646 -9.8679 -9.8679 -9.8373 -9.8373 -0.8158 -0.8158 -0.4512 -0.4512 0.6856 0.6856 1.1760 1.1760 1.4107 1.4107 1.7692 1.7692 3.3835 3.3835 4.8642 4.8642 4.9172 4.9172 6.4800 6.4800 6.6215 6.6215 10.7119 10.7119 11.4662 11.4662 13.7082 13.7082 13.8055 13.8055 k = 0.5281 0.0969-0.0012 ( 2560 PWs) bands (ev): -31.1739 -31.1739 -12.6949 -12.6949 -12.1624 -12.1624 -11.9600 -11.9600 -9.8645 -9.8645 -9.8464 -9.8464 -0.8165 -0.8165 -0.4517 -0.4517 0.6868 0.6868 1.1785 1.1785 1.4091 1.4091 1.7607 1.7607 3.3766 3.3766 4.8607 4.8607 4.9134 4.9134 6.4918 6.4918 6.6301 6.6301 10.7255 10.7255 11.4358 11.4358 13.7264 13.7264 13.7962 13.7962 k = 0.5225 0.1059 0.0164 ( 2558 PWs) bands (ev): -31.1743 -31.1743 -12.6968 -12.6968 -12.1589 -12.1589 -11.9559 -11.9559 -9.8624 -9.8624 -9.8533 -9.8533 -0.8171 -0.8171 -0.4521 -0.4521 0.6878 0.6878 1.1805 1.1805 1.4078 1.4078 1.7539 1.7539 3.3709 3.3709 4.8578 4.8578 4.9103 4.9103 6.5012 6.5012 6.6376 6.6376 10.7368 10.7368 11.4106 11.4106 13.7418 13.7418 13.7884 13.7884 k = 0.5169 0.1150 0.0339 ( 2562 PWs) bands (ev): -31.1745 -31.1745 -12.6984 -12.6984 -12.1563 -12.1563 -11.9527 -11.9527 -9.8632 -9.8632 -9.8563 -9.8563 -0.8175 -0.8175 -0.4524 -0.4524 0.6885 0.6885 1.1821 1.1821 1.4067 1.4067 1.7487 1.7487 3.3664 3.3664 4.8555 4.8555 4.9079 4.9079 6.5083 6.5083 6.6438 6.6438 10.7455 10.7455 11.3909 11.3909 13.7537 13.7537 13.7825 13.7825 k = 0.5112 0.1241 0.0515 ( 2566 PWs) bands (ev): -31.1747 -31.1747 -12.6995 -12.6995 -12.1544 -12.1544 -11.9503 -11.9503 -9.8664 -9.8664 -9.8558 -9.8558 -0.8179 -0.8179 -0.4526 -0.4526 0.6891 0.6891 1.1833 1.1833 1.4060 1.4060 1.7450 1.7450 3.3632 3.3632 4.8538 4.8538 4.9062 4.9062 6.5134 6.5134 6.6484 6.6484 10.7517 10.7517 11.3766 11.3766 13.7613 13.7613 13.7792 13.7792 k = 0.5056 0.1332 0.0690 ( 2568 PWs) bands (ev): -31.1748 -31.1748 -12.7001 -12.7001 -12.1533 -12.1533 -11.9488 -11.9488 -9.8688 -9.8688 -9.8551 -9.8551 -0.8181 -0.8181 -0.4527 -0.4527 0.6894 0.6894 1.1840 1.1840 1.4055 1.4055 1.7428 1.7428 3.3613 3.3613 4.8528 4.8528 4.9052 4.9052 6.5163 6.5163 6.6512 6.6512 10.7555 10.7555 11.3681 11.3681 13.7644 13.7644 13.7786 13.7786 k = 0.5000 0.1423 0.0866 ( 2558 PWs) bands (ev): -31.1748 -31.1748 -12.7003 -12.7003 -12.1528 -12.1528 -11.9483 -11.9483 -9.8696 -9.8696 -9.8548 -9.8548 -0.8181 -0.8181 -0.4528 -0.4528 0.6895 0.6895 1.1842 1.1842 1.4054 1.4054 1.7421 1.7421 3.3607 3.3607 4.8524 4.8524 4.9049 4.9049 6.5173 6.5173 6.6522 6.6522 10.7568 10.7568 11.3652 11.3652 13.7651 13.7651 13.7790 13.7790 k = 0.5000 0.1423 0.0866 ( 2558 PWs) bands (ev): -31.1748 -31.1748 -12.7003 -12.7003 -12.1528 -12.1528 -11.9483 -11.9483 -9.8696 -9.8696 -9.8548 -9.8548 -0.8181 -0.8181 -0.4528 -0.4528 0.6895 0.6895 1.1842 1.1842 1.4054 1.4054 1.7421 1.7421 3.3607 3.3607 4.8524 4.8524 4.9049 4.9049 6.5173 6.5173 6.6522 6.6522 10.7568 10.7568 11.3652 11.3652 13.7651 13.7651 13.7790 13.7790 k = 0.4808 0.1368 0.0832 ( 2567 PWs) bands (ev): -31.1748 -31.1748 -12.7002 -12.7002 -12.1529 -12.1529 -11.9483 -11.9483 -9.9026 -9.9026 -9.8217 -9.8217 -0.8189 -0.8189 -0.4528 -0.4528 0.6886 0.6886 1.1840 1.1840 1.4054 1.4054 1.7397 1.7397 3.3660 3.3660 4.8539 4.8539 4.9064 4.9064 6.5156 6.5156 6.6504 6.6504 10.7451 10.7451 11.3757 11.3757 13.7653 13.7653 13.7792 13.7792 k = 0.4615 0.1313 0.0799 ( 2567 PWs) bands (ev): -31.1748 -31.1748 -12.6996 -12.6996 -12.1528 -12.1528 -11.9483 -11.9483 -9.9419 -9.9419 -9.7823 -9.7823 -0.8212 -0.8212 -0.4529 -0.4529 0.6859 0.6859 1.1835 1.1835 1.4054 1.4054 1.7330 1.7330 3.3817 3.3817 4.8581 4.8581 4.9110 4.9110 6.5105 6.5105 6.6452 6.6452 10.7120 10.7120 11.4049 11.4049 13.7662 13.7662 13.7798 13.7798 k = 0.4423 0.1258 0.0766 ( 2561 PWs) bands (ev): -31.1748 -31.1748 -12.6986 -12.6986 -12.1526 -12.1526 -11.9483 -11.9483 -9.9811 -9.9811 -9.7429 -9.7429 -0.8250 -0.8250 -0.4530 -0.4530 0.6814 0.6814 1.1827 1.1827 1.4053 1.4053 1.7221 1.7221 3.4075 3.4075 4.8653 4.8653 4.9186 4.9186 6.5019 6.5019 6.6365 6.6365 10.6624 10.6624 11.4483 11.4483 13.7678 13.7678 13.7809 13.7809 k = 0.4231 0.1204 0.0733 ( 2561 PWs) bands (ev): -31.1748 -31.1748 -12.6973 -12.6973 -12.1523 -12.1523 -11.9483 -11.9483 -10.0199 -10.0199 -9.7038 -9.7038 -0.8302 -0.8302 -0.4531 -0.4531 0.6753 0.6753 1.1816 1.1816 1.4053 1.4053 1.7078 1.7078 3.4424 3.4424 4.8752 4.8752 4.9292 4.9292 6.4901 6.4901 6.6245 6.6245 10.6011 10.6011 11.5011 11.5011 13.7698 13.7698 13.7824 13.7824 k = 0.4038 0.1149 0.0699 ( 2561 PWs) bands (ev): -31.1748 -31.1748 -12.6956 -12.6956 -12.1521 -12.1521 -11.9483 -11.9483 -10.0582 -10.0582 -9.6651 -9.6651 -0.8368 -0.8368 -0.4533 -0.4533 0.6676 0.6676 1.1802 1.1802 1.4053 1.4053 1.6908 1.6908 3.4856 3.4856 4.8879 4.8879 4.9428 4.9428 6.4749 6.4749 6.6090 6.6090 10.5317 10.5317 11.5600 11.5600 13.7724 13.7724 13.7842 13.7842 k = 0.3846 0.1094 0.0666 ( 2561 PWs) bands (ev): -31.1748 -31.1748 -12.6936 -12.6936 -12.1517 -12.1517 -11.9483 -11.9483 -10.0958 -10.0958 -9.6270 -9.6270 -0.8447 -0.8447 -0.4535 -0.4535 0.6584 0.6584 1.1786 1.1786 1.4053 1.4053 1.6717 1.6717 3.5361 3.5361 4.9034 4.9034 4.9594 4.9594 6.4566 6.4566 6.5904 6.5904 10.4568 10.4568 11.6227 11.6227 13.7754 13.7754 13.7864 13.7864 k = 0.3654 0.1040 0.0633 ( 2561 PWs) bands (ev): -31.1748 -31.1748 -12.6914 -12.6914 -12.1513 -12.1513 -11.9483 -11.9483 -10.1326 -10.1326 -9.5897 -9.5897 -0.8538 -0.8538 -0.4538 -0.4538 0.6479 0.6479 1.1767 1.1767 1.4052 1.4052 1.6513 1.6513 3.5927 3.5927 4.9215 4.9215 4.9787 4.9787 6.4352 6.4352 6.5685 6.5685 10.3782 10.3782 11.6880 11.6880 13.7788 13.7788 13.7888 13.7888 k = 0.3462 0.0985 0.0599 ( 2567 PWs) bands (ev): -31.1748 -31.1748 -12.6888 -12.6888 -12.1509 -12.1509 -11.9483 -11.9483 -10.1685 -10.1685 -9.5532 -9.5532 -0.8641 -0.8641 -0.4541 -0.4541 0.6362 0.6362 1.1746 1.1746 1.4052 1.4052 1.6304 1.6304 3.6545 3.6545 4.9423 4.9423 5.0009 5.0009 6.4107 6.4107 6.5436 6.5436 10.2970 10.2970 11.7550 11.7550 13.7826 13.7826 13.7915 13.7915 k = 0.3269 0.0930 0.0566 ( 2582 PWs) bands (ev): -31.1749 -31.1749 -12.6862 -12.6862 -12.1504 -12.1504 -11.9483 -11.9483 -10.2033 -10.2033 -9.5178 -9.5178 -0.8754 -0.8754 -0.4544 -0.4544 0.6237 0.6237 1.1723 1.1723 1.4051 1.4051 1.6093 1.6093 3.7202 3.7202 4.9656 4.9656 5.0258 5.0258 6.3835 6.3835 6.5157 6.5157 10.2139 10.2139 11.8231 11.8231 13.7866 13.7866 13.7944 13.7944 k = 0.3077 0.0875 0.0533 ( 2576 PWs) bands (ev): -31.1749 -31.1749 -12.6832 -12.6832 -12.1498 -12.1498 -11.9483 -11.9483 -10.2370 -10.2370 -9.4835 -9.4835 -0.8874 -0.8874 -0.4547 -0.4547 0.6104 0.6104 1.1698 1.1698 1.4051 1.4051 1.5887 1.5887 3.7890 3.7890 4.9913 4.9913 5.0533 5.0533 6.3536 6.3536 6.4851 6.4851 10.1304 10.1304 11.8921 11.8921 13.7910 13.7910 13.7975 13.7975 k = 0.2885 0.0821 0.0499 ( 2576 PWs) bands (ev): -31.1749 -31.1749 -12.6800 -12.6800 -12.1492 -12.1492 -11.9483 -11.9483 -10.2694 -10.2694 -9.4505 -9.4505 -0.9002 -0.9002 -0.4551 -0.4551 0.5966 0.5966 1.1673 1.1673 1.4050 1.4050 1.5689 1.5689 3.8599 3.8599 5.0194 5.0194 5.0833 5.0833 6.3211 6.3211 6.4518 6.4518 10.0469 10.0469 11.9619 11.9619 13.7955 13.7955 13.8008 13.8008 k = 0.2692 0.0766 0.0466 ( 2570 PWs) bands (ev): -31.1749 -31.1749 -12.6767 -12.6767 -12.1485 -12.1485 -11.9482 -11.9482 -10.3004 -10.3004 -9.4188 -9.4188 -0.9134 -0.9134 -0.4554 -0.4554 0.5826 0.5826 1.1647 1.1647 1.4050 1.4050 1.5500 1.5500 3.9320 3.9320 5.0498 5.0498 5.1157 5.1157 6.2862 6.2862 6.4160 6.4160 9.9641 9.9641 12.0322 12.0322 13.8000 13.8000 13.8041 13.8041 k = 0.2500 0.0711 0.0433 ( 2576 PWs) bands (ev): -31.1749 -31.1749 -12.6734 -12.6734 -12.1479 -12.1479 -11.9482 -11.9482 -10.3298 -10.3298 -9.3887 -9.3887 -0.9269 -0.9269 -0.4558 -0.4558 0.5686 0.5686 1.1621 1.1621 1.4049 1.4049 1.5324 1.5324 4.0043 4.0043 5.0823 5.0823 5.1504 5.1504 6.2492 6.2492 6.3779 6.3779 9.8825 9.8825 12.1029 12.1029 13.8046 13.8046 13.8074 13.8074 k = 0.2308 0.0657 0.0400 ( 2576 PWs) bands (ev): -31.1749 -31.1749 -12.6701 -12.6701 -12.1472 -12.1472 -11.9482 -11.9482 -10.3577 -10.3577 -9.3603 -9.3603 -0.9406 -0.9406 -0.4562 -0.4562 0.5548 0.5548 1.1595 1.1595 1.4048 1.4048 1.5160 1.5160 4.0760 4.0760 5.1169 5.1169 5.1873 5.1873 6.2101 6.2101 6.3376 6.3376 9.8028 9.8028 12.1740 12.1740 13.8091 13.8091 13.8107 13.8107 k = 0.2115 0.0602 0.0366 ( 2570 PWs) bands (ev): -31.1749 -31.1749 -12.6667 -12.6667 -12.1465 -12.1465 -11.9482 -11.9482 -10.3838 -10.3838 -9.3336 -9.3336 -0.9541 -0.9541 -0.4565 -0.4565 0.5414 0.5414 1.1569 1.1569 1.4048 1.4048 1.5011 1.5011 4.1463 4.1463 5.1533 5.1533 5.2262 5.2262 6.1693 6.1693 6.2953 6.2953 9.7258 9.7258 12.2451 12.2451 13.8135 13.8135 13.8139 13.8139 k = 0.1923 0.0547 0.0333 ( 2570 PWs) bands (ev): -31.1749 -31.1749 -12.6635 -12.6635 -12.1459 -12.1459 -11.9482 -11.9482 -10.4080 -10.4080 -9.3088 -9.3088 -0.9673 -0.9673 -0.4569 -0.4569 0.5285 0.5285 1.1545 1.1545 1.4047 1.4047 1.4876 1.4876 4.2144 4.2144 5.1915 5.1915 5.2670 5.2670 6.1268 6.1268 6.2512 6.2512 9.6521 9.6521 12.3161 12.3161 13.8170 13.8170 13.8177 13.8177 k = 0.1731 0.0492 0.0300 ( 2569 PWs) bands (ev): -31.1749 -31.1749 -12.6604 -12.6604 -12.1452 -12.1452 -11.9482 -11.9482 -10.4303 -10.4303 -9.2860 -9.2860 -0.9801 -0.9801 -0.4572 -0.4572 0.5165 0.5165 1.1521 1.1521 1.4047 1.4047 1.4755 1.4755 4.2793 4.2793 5.2312 5.2312 5.3097 5.3097 6.0829 6.0829 6.2055 6.2055 9.5825 9.5825 12.3866 12.3866 13.8199 13.8199 13.8217 13.8217 k = 0.1538 0.0438 0.0266 ( 2554 PWs) bands (ev): -31.1749 -31.1749 -12.6574 -12.6574 -12.1445 -12.1445 -11.9481 -11.9481 -10.4505 -10.4505 -9.2653 -9.2653 -0.9921 -0.9921 -0.4575 -0.4575 0.5053 0.5053 1.1499 1.1499 1.4046 1.4046 1.4648 1.4648 4.3404 4.3404 5.2724 5.2724 5.3539 5.3539 6.0378 6.0378 6.1583 6.1583 9.5176 9.5176 12.4562 12.4562 13.8227 13.8227 13.8255 13.8255 k = 0.1346 0.0383 0.0233 ( 2554 PWs) bands (ev): -31.1749 -31.1749 -12.6547 -12.6547 -12.1439 -12.1439 -11.9481 -11.9481 -10.4685 -10.4685 -9.2468 -9.2468 -1.0032 -1.0032 -0.4578 -0.4578 0.4952 0.4952 1.1479 1.1479 1.4046 1.4046 1.4554 1.4554 4.3967 4.3967 5.3148 5.3148 5.3997 5.3997 5.9918 5.9918 6.1099 6.1099 9.4581 9.4581 12.5242 12.5242 13.8252 13.8252 13.8288 13.8288 k = 0.1154 0.0328 0.0200 ( 2554 PWs) bands (ev): -31.1749 -31.1749 -12.6523 -12.6523 -12.1434 -12.1434 -11.9481 -11.9481 -10.4844 -10.4844 -9.2306 -9.2306 -1.0132 -1.0132 -0.4581 -0.4581 0.4863 0.4863 1.1461 1.1461 1.4045 1.4045 1.4474 1.4474 4.4474 4.4474 5.3582 5.3582 5.4467 5.4467 5.9451 5.9451 6.0604 6.0604 9.4047 9.4047 12.5897 12.5897 13.8274 13.8275 13.8275 13.8286 k = 0.0962 0.0274 0.0166 ( 2548 PWs) bands (ev): -31.1749 -31.1749 -12.6501 -12.6501 -12.1429 -12.1429 -11.9481 -11.9481 -10.4980 -10.4980 -9.2167 -9.2167 -1.0220 -1.0220 -0.4583 -0.4583 0.4786 0.4786 1.1446 1.1446 1.4045 1.4045 1.4407 1.4407 4.4920 4.4920 5.4023 5.4023 5.4950 5.4950 5.8980 5.8980 6.0101 6.0101 9.3581 9.3581 12.6515 12.6515 13.7828 13.7828 13.8296 13.8320 k = 0.0769 0.0219 0.0133 ( 2548 PWs) bands (ev): -31.1749 -31.1749 -12.6483 -12.6483 -12.1425 -12.1425 -11.9481 -11.9481 -10.5091 -10.5091 -9.2053 -9.2053 -1.0294 -1.0294 -0.4585 -0.4585 0.4722 0.4722 1.1432 1.1432 1.4044 1.4044 1.4353 1.4353 4.5295 4.5295 5.4469 5.4469 5.5441 5.5441 5.8508 5.8508 5.9592 5.9592 9.3190 9.3190 12.7078 12.7078 13.7390 13.7390 13.8312 13.8349 k = 0.0577 0.0164 0.0100 ( 2548 PWs) bands (ev): -31.1749 -31.1749 -12.6469 -12.6469 -12.1421 -12.1421 -11.9481 -11.9481 -10.5179 -10.5179 -9.1963 -9.1963 -1.0353 -1.0353 -0.4586 -0.4586 0.4671 0.4671 1.1422 1.1422 1.4044 1.4044 1.4311 1.4311 4.5594 4.5594 5.4913 5.4913 5.5941 5.5941 5.8044 5.8044 5.9079 5.9079 9.2880 9.2880 12.7565 12.7565 13.6995 13.6995 13.8325 13.8381 k = 0.0385 0.0109 0.0067 ( 2536 PWs) bands (ev): -31.1748 -31.1748 -12.6458 -12.6458 -12.1419 -12.1419 -11.9480 -11.9480 -10.5242 -10.5242 -9.1898 -9.1898 -1.0395 -1.0395 -0.4587 -0.4587 0.4635 0.4635 1.1415 1.1415 1.4043 1.4043 1.4282 1.4282 4.5812 4.5812 5.5343 5.5343 5.6443 5.6443 5.7600 5.7600 5.8567 5.8567 9.2655 9.2655 12.7947 12.7947 13.6676 13.6676 13.8335 13.8347 k = 0.0192 0.0055 0.0033 ( 2536 PWs) bands (ev): -31.1748 -31.1748 -12.6452 -12.6452 -12.1417 -12.1417 -11.9480 -11.9480 -10.5280 -10.5280 -9.1860 -9.1860 -1.0421 -1.0421 -0.4588 -0.4588 0.4613 0.4613 1.1410 1.1410 1.4043 1.4043 1.4264 1.4264 4.5945 4.5945 5.5717 5.5717 5.6937 5.6937 5.7216 5.7216 5.8067 5.8067 9.2518 9.2518 12.8193 12.8193 13.6466 13.6466 13.8338 13.8360 k = 0.0000 0.0000 0.0000 ( 2545 PWs) bands (ev): -31.1749 -31.1749 -12.6450 -12.6450 -12.1417 -12.1417 -11.9481 -11.9481 -10.5292 -10.5292 -9.1847 -9.1847 -1.0430 -1.0430 -0.4588 -0.4588 0.4606 0.4606 1.1408 1.1408 1.4043 1.4043 1.4258 1.4258 4.5989 4.5989 5.5896 5.5896 5.7034 5.7034 5.7282 5.7282 5.7720 5.7720 9.2471 9.2471 12.8279 12.8279 13.6393 13.6393 13.8341 13.8397 k = 0.0000 0.0000 0.0000 ( 2545 PWs) bands (ev): -31.1749 -31.1749 -12.6450 -12.6450 -12.1417 -12.1417 -11.9481 -11.9481 -10.5292 -10.5292 -9.1847 -9.1847 -1.0430 -1.0430 -0.4588 -0.4588 0.4606 0.4606 1.1408 1.1408 1.4043 1.4043 1.4258 1.4258 4.5989 4.5989 5.5896 5.5896 5.7034 5.7034 5.7282 5.7282 5.7720 5.7720 9.2471 9.2471 12.8279 12.8279 13.6393 13.6393 13.8354 13.8383 k = 0.0056-0.0091-0.0175 ( 2537 PWs) bands (ev): -31.1748 -31.1748 -12.6448 -12.6448 -12.1421 -12.1421 -11.9486 -11.9486 -10.5282 -10.5282 -9.1850 -9.1850 -1.0427 -1.0427 -0.4588 -0.4588 0.4606 0.4606 1.1407 1.1407 1.4045 1.4045 1.4272 1.4272 4.5981 4.5981 5.5899 5.5899 5.7009 5.7009 5.7302 5.7302 5.7710 5.7710 9.2486 9.2486 12.8284 12.8284 13.6395 13.6395 13.8343 13.8343 k = 0.0112-0.0181-0.0351 ( 2541 PWs) bands (ev): -31.1747 -31.1747 -12.6443 -12.6443 -12.1434 -12.1434 -11.9504 -11.9504 -10.5252 -10.5252 -9.1861 -9.1861 -1.0420 -1.0420 -0.4586 -0.4586 0.4604 0.4604 1.1402 1.1402 1.4049 1.4049 1.4314 1.4314 4.5957 4.5957 5.5908 5.5908 5.6945 5.6945 5.7351 5.7351 5.7682 5.7682 9.2529 9.2529 12.8300 12.8300 13.6400 13.6400 13.8347 13.8351 k = 0.0168-0.0272-0.0526 ( 2551 PWs) bands (ev): -31.1745 -31.1745 -12.6435 -12.6435 -12.1456 -12.1456 -11.9533 -11.9533 -10.5203 -10.5203 -9.1878 -9.1878 -1.0409 -1.0409 -0.4584 -0.4584 0.4603 0.4603 1.1393 1.1393 1.4055 1.4055 1.4386 1.4386 4.5917 4.5917 5.5920 5.5920 5.6859 5.6859 5.7411 5.7411 5.7640 5.7640 9.2599 9.2599 12.8326 12.8326 13.6409 13.6409 13.8344 13.8347 k = 0.0225-0.0363-0.0701 ( 2551 PWs) bands (ev): -31.1743 -31.1743 -12.6424 -12.6424 -12.1487 -12.1487 -11.9571 -11.9571 -10.5134 -10.5134 -9.1902 -9.1902 -1.0392 -1.0392 -0.4580 -0.4580 0.4600 0.4600 1.1381 1.1381 1.4062 1.4062 1.4487 1.4487 4.5862 4.5862 5.5931 5.5931 5.6756 5.6756 5.7465 5.7465 5.7599 5.7599 9.2697 9.2697 12.8363 12.8363 13.6418 13.6418 13.8335 13.8385 k = 0.0281-0.0454-0.0877 ( 2551 PWs) bands (ev): -31.1740 -31.1740 -12.6409 -12.6409 -12.1527 -12.1527 -11.9618 -11.9618 -10.5048 -10.5048 -9.1933 -9.1933 -1.0371 -1.0371 -0.4576 -0.4576 0.4597 0.4597 1.1365 1.1365 1.4070 1.4070 1.4618 1.4618 4.5793 4.5793 5.5929 5.5929 5.6643 5.6643 5.7463 5.7463 5.7614 5.7614 9.2820 9.2820 12.8411 12.8411 13.6427 13.6427 13.8319 13.8320 k = 0.0337-0.0544-0.1052 ( 2553 PWs) bands (ev): -31.1736 -31.1736 -12.6392 -12.6392 -12.1577 -12.1577 -11.9673 -11.9673 -10.4944 -10.4944 -9.1970 -9.1970 -1.0346 -1.0346 -0.4570 -0.4570 0.4594 0.4594 1.1346 1.1346 1.4080 1.4080 1.4779 1.4779 4.5712 4.5712 5.5895 5.5895 5.6535 5.6535 5.7406 5.7406 5.7688 5.7688 9.2968 9.2968 12.8468 12.8468 13.6432 13.6432 13.8303 13.8304 k = 0.0393-0.0635-0.1227 ( 2557 PWs) bands (ev): -31.1731 -31.1731 -12.6372 -12.6372 -12.1637 -12.1637 -11.9733 -11.9733 -10.4825 -10.4825 -9.2013 -9.2013 -1.0316 -1.0316 -0.4564 -0.4564 0.4589 0.4589 1.1323 1.1323 1.4091 1.4091 1.4970 1.4970 4.5619 4.5619 5.5802 5.5802 5.6457 5.6457 5.7338 5.7338 5.7781 5.7781 9.3140 9.3140 12.8536 12.8536 13.6432 13.6432 13.8287 13.8287 k = 0.0449-0.0726-0.1402 ( 2559 PWs) bands (ev): -31.1726 -31.1726 -12.6350 -12.6350 -12.1707 -12.1707 -11.9797 -11.9797 -10.4690 -10.4690 -9.2063 -9.2063 -1.0282 -1.0282 -0.4558 -0.4558 0.4585 0.4585 1.1298 1.1298 1.4103 1.4103 1.5191 1.5191 4.5517 4.5517 5.5632 5.5632 5.6420 5.6420 5.7271 5.7271 5.7884 5.7884 9.3332 9.3332 12.8614 12.8614 13.6424 13.6424 13.8274 13.8274 k = 0.0505-0.0816-0.1578 ( 2553 PWs) bands (ev): -31.1720 -31.1720 -12.6326 -12.6326 -12.1788 -12.1788 -11.9863 -11.9863 -10.4542 -10.4542 -9.2118 -9.2118 -1.0245 -1.0245 -0.4551 -0.4551 0.4580 0.4580 1.1269 1.1269 1.4118 1.4118 1.5442 1.5442 4.5406 4.5406 5.5395 5.5395 5.6414 5.6414 5.7211 5.7211 5.7995 5.7995 9.3545 9.3545 12.8701 12.8701 13.6405 13.6405 13.8264 13.8264 k = 0.0562-0.0907-0.1753 ( 2551 PWs) bands (ev): -31.1714 -31.1714 -12.6300 -12.6300 -12.1880 -12.1880 -11.9930 -11.9930 -10.4383 -10.4383 -9.2179 -9.2179 -1.0203 -1.0203 -0.4543 -0.4543 0.4574 0.4574 1.1236 1.1236 1.4134 1.4134 1.5722 1.5722 4.5289 4.5289 5.5109 5.5109 5.6416 5.6416 5.7162 5.7162 5.8114 5.8114 9.3775 9.3775 12.8797 12.8797 13.6373 13.6373 13.8261 13.8261 k = 0.0618-0.0998-0.1928 ( 2549 PWs) bands (ev): -31.1707 -31.1707 -12.6273 -12.6273 -12.1981 -12.1981 -11.9996 -11.9996 -10.4212 -10.4212 -9.2245 -9.2245 -1.0159 -1.0159 -0.4535 -0.4535 0.4569 0.4569 1.1201 1.1201 1.4153 1.4153 1.6031 1.6031 4.5166 4.5166 5.4785 5.4785 5.6412 5.6412 5.7128 5.7128 5.8239 5.8239 9.4020 9.4020 12.8901 12.8901 13.6325 13.6325 13.8267 13.8267 k = 0.0674-0.1088-0.2104 ( 2545 PWs) bands (ev): -31.1699 -31.1699 -12.6246 -12.6246 -12.2091 -12.2091 -12.0060 -12.0060 -10.4032 -10.4032 -9.2316 -9.2316 -1.0111 -1.0111 -0.4528 -0.4528 0.4563 0.4563 1.1163 1.1163 1.4173 1.4173 1.6369 1.6369 4.5039 4.5039 5.4431 5.4431 5.6391 5.6391 5.7117 5.7117 5.8370 5.8370 9.4279 9.4279 12.9013 12.9013 13.6259 13.6259 13.8285 13.8285 k = 0.0730-0.1179-0.2279 ( 2557 PWs) bands (ev): -31.1691 -31.1691 -12.6219 -12.6219 -12.2210 -12.2210 -12.0123 -12.0123 -10.3845 -10.3845 -9.2393 -9.2393 -1.0060 -1.0060 -0.4520 -0.4520 0.4557 0.4557 1.1122 1.1122 1.4196 1.4196 1.6736 1.6736 4.4909 4.4909 5.4053 5.4053 5.6346 5.6346 5.7128 5.7128 5.8504 5.8504 9.4549 9.4549 12.9132 12.9132 13.6173 13.6173 13.8316 13.8316 k = 0.0786-0.1270-0.2454 ( 2559 PWs) bands (ev): -31.1683 -31.1683 -12.6193 -12.6193 -12.2334 -12.2334 -12.0184 -12.0184 -10.3651 -10.3651 -9.2473 -9.2473 -1.0007 -1.0007 -0.4512 -0.4512 0.4552 0.4552 1.1079 1.1079 1.4221 1.4221 1.7132 1.7132 4.4777 4.4777 5.3654 5.3654 5.6279 5.6279 5.7159 5.7159 5.8640 5.8640 9.4828 9.4828 12.9256 12.9256 13.6063 13.6063 13.8364 13.8364 k = 0.0842-0.1361-0.2630 ( 2555 PWs) bands (ev): -31.1674 -31.1674 -12.6169 -12.6169 -12.2463 -12.2463 -12.0241 -12.0241 -10.3452 -10.3452 -9.2557 -9.2557 -0.9951 -0.9951 -0.4505 -0.4505 0.4547 0.4547 1.1033 1.1033 1.4249 1.4249 1.7556 1.7556 4.4646 4.4646 5.3239 5.3239 5.6193 5.6193 5.7207 5.7207 5.8779 5.8779 9.5114 9.5114 12.9384 12.9384 13.5926 13.5926 13.8432 13.8432 k = 0.0899-0.1451-0.2805 ( 2557 PWs) bands (ev): -31.1664 -31.1664 -12.6147 -12.6147 -12.2595 -12.2595 -12.0297 -12.0297 -10.3249 -10.3249 -9.2644 -9.2644 -0.9893 -0.9893 -0.4497 -0.4497 0.4542 0.4542 1.0986 1.0986 1.4279 1.4279 1.8007 1.8007 4.4514 4.4514 5.2810 5.2810 5.6090 5.6090 5.7265 5.7265 5.8917 5.8917 9.5406 9.5406 12.9515 12.9515 13.5761 13.5761 13.8522 13.8522 k = 0.0955-0.1542-0.2980 ( 2561 PWs) bands (ev): -31.1654 -31.1654 -12.6130 -12.6130 -12.2727 -12.2727 -12.0350 -12.0350 -10.3043 -10.3043 -9.2735 -9.2735 -0.9834 -0.9834 -0.4491 -0.4491 0.4538 0.4538 1.0936 1.0936 1.4311 1.4311 1.8486 1.8486 4.4384 4.4384 5.2370 5.2370 5.5975 5.5975 5.7331 5.7331 5.9055 5.9055 9.5700 9.5700 12.9648 12.9648 13.5563 13.5563 13.8635 13.8635 k = 0.1011-0.1633-0.3156 ( 2565 PWs) bands (ev): -31.1644 -31.1644 -12.6117 -12.6117 -12.2856 -12.2856 -12.0401 -12.0401 -10.2835 -10.2835 -9.2828 -9.2828 -0.9773 -0.9773 -0.4484 -0.4484 0.4535 0.4535 1.0885 1.0885 1.4345 1.4345 1.8991 1.8991 4.4255 4.4255 5.1922 5.1922 5.5848 5.5848 5.7402 5.7402 5.9191 5.9191 9.5995 9.5995 12.9781 12.9781 13.5329 13.5329 13.8775 13.8775 k = 0.1067-0.1723-0.3331 ( 2559 PWs) bands (ev): -31.1633 -31.1633 -12.6111 -12.6111 -12.2981 -12.2981 -12.0451 -12.0451 -10.2627 -10.2627 -9.2922 -9.2922 -0.9711 -0.9711 -0.4478 -0.4478 0.4533 0.4533 1.0833 1.0833 1.4382 1.4382 1.9523 1.9523 4.4130 4.4130 5.1469 5.1469 5.5711 5.5711 5.7477 5.7477 5.9324 5.9324 9.6290 9.6290 12.9913 12.9913 13.5056 13.5056 13.8943 13.8943 k = 0.1123-0.1814-0.3506 ( 2557 PWs) bands (ev): -31.1623 -31.1623 -12.6112 -12.6112 -12.3099 -12.3099 -12.0499 -12.0499 -10.2418 -10.2418 -9.3019 -9.3019 -0.9648 -0.9648 -0.4473 -0.4473 0.4532 0.4532 1.0780 1.0780 1.4420 1.4420 2.0079 2.0079 4.4008 4.4008 5.1013 5.1013 5.5565 5.5565 5.7552 5.7552 5.9454 5.9454 9.6581 9.6581 13.0042 13.0042 13.4741 13.4741 13.9139 13.9139 k = 0.1179-0.1905-0.3682 ( 2557 PWs) bands (ev): -31.1611 -31.1611 -12.6122 -12.6122 -12.3209 -12.3209 -12.0547 -12.0547 -10.2211 -10.2211 -9.3116 -9.3116 -0.9584 -0.9584 -0.4468 -0.4468 0.4532 0.4532 1.0725 1.0725 1.4461 1.4461 2.0660 2.0660 4.3889 4.3889 5.0555 5.0555 5.5411 5.5411 5.7629 5.7629 5.9579 5.9579 9.6867 9.6867 13.0168 13.0168 13.4380 13.4380 13.9364 13.9364 k = 0.1236-0.1995-0.3857 ( 2561 PWs) bands (ev): -31.1600 -31.1600 -12.6142 -12.6142 -12.3308 -12.3308 -12.0594 -12.0594 -10.2006 -10.2006 -9.3214 -9.3214 -0.9521 -0.9521 -0.4464 -0.4464 0.4534 0.4534 1.0671 1.0671 1.4503 1.4503 2.1264 2.1264 4.3774 4.3774 5.0099 5.0099 5.5249 5.5249 5.7705 5.7705 5.9700 5.9700 9.7146 9.7146 13.0289 13.0289 13.3970 13.3970 13.9616 13.9616 k = 0.1292-0.2086-0.4032 ( 2559 PWs) bands (ev): -31.1588 -31.1588 -12.6173 -12.6173 -12.3394 -12.3394 -12.0641 -12.0641 -10.1804 -10.1804 -9.3312 -9.3312 -0.9457 -0.9457 -0.4461 -0.4461 0.4538 0.4538 1.0615 1.0615 1.4547 1.4547 2.1891 2.1891 4.3664 4.3664 4.9647 4.9647 5.5079 5.5079 5.7780 5.7780 5.9816 5.9816 9.7416 9.7416 13.0405 13.0405 13.3512 13.3512 13.9892 13.9892 k = 0.1348-0.2177-0.4207 ( 2555 PWs) bands (ev): -31.1577 -31.1577 -12.6214 -12.6214 -12.3467 -12.3467 -12.0687 -12.0687 -10.1605 -10.1605 -9.3408 -9.3408 -0.9394 -0.9394 -0.4457 -0.4457 0.4543 0.4543 1.0560 1.0560 1.4593 1.4593 2.2538 2.2538 4.3559 4.3559 4.9199 4.9199 5.4903 5.4903 5.7853 5.7853 5.9926 5.9926 9.7676 9.7676 13.0515 13.0515 13.3003 13.3003 14.0189 14.0189 k = 0.1404-0.2268-0.4383 ( 2559 PWs) bands (ev): -31.1565 -31.1565 -12.6267 -12.6267 -12.3527 -12.3527 -12.0734 -12.0734 -10.1411 -10.1411 -9.3504 -9.3504 -0.9331 -0.9331 -0.4455 -0.4455 0.4550 0.4550 1.0505 1.0505 1.4639 1.4639 2.3206 2.3206 4.3458 4.3458 4.8758 4.8758 5.4720 5.4720 5.7924 5.7924 6.0031 6.0031 9.7922 9.7922 13.0618 13.0618 13.2445 13.2445 14.0495 14.0495 k = 0.1460-0.2358-0.4558 ( 2561 PWs) bands (ev): -31.1553 -31.1553 -12.6329 -12.6329 -12.3574 -12.3574 -12.0781 -12.0781 -10.1221 -10.1221 -9.3598 -9.3598 -0.9269 -0.9269 -0.4453 -0.4453 0.4558 0.4558 1.0450 1.0450 1.4687 1.4687 2.3893 2.3893 4.3363 4.3363 4.8326 4.8326 5.4531 5.4531 5.7992 5.7992 6.0131 6.0131 9.8155 9.8155 13.0711 13.0711 13.1844 13.1844 14.0799 14.0799 k = 0.1516-0.2449-0.4733 ( 2561 PWs) bands (ev): -31.1541 -31.1541 -12.6400 -12.6400 -12.3608 -12.3608 -12.0828 -12.0828 -10.1038 -10.1038 -9.3690 -9.3690 -0.9208 -0.9208 -0.4451 -0.4451 0.4569 0.4569 1.0396 1.0396 1.4735 1.4735 2.4597 2.4597 4.3272 4.3272 4.7904 4.7904 5.4337 5.4337 5.8057 5.8057 6.0224 6.0224 9.8371 9.8371 13.0766 13.0766 13.1232 13.1232 14.1081 14.1081 k = 0.1572-0.2540-0.4909 ( 2561 PWs) bands (ev): -31.1529 -31.1529 -12.6478 -12.6478 -12.3631 -12.3631 -12.0876 -12.0876 -10.0860 -10.0860 -9.3778 -9.3778 -0.9148 -0.9148 -0.4449 -0.4449 0.4581 0.4581 1.0342 1.0342 1.4784 1.4784 2.5317 2.5317 4.3187 4.3187 4.7493 4.7493 5.4137 5.4137 5.8117 5.8117 6.0312 6.0312 9.8569 9.8569 13.0422 13.0422 13.0977 13.0977 14.1310 14.1310 k = 0.1629-0.2630-0.5084 ( 2555 PWs) bands (ev): -31.1517 -31.1517 -12.6562 -12.6562 -12.3644 -12.3644 -12.0924 -12.0924 -10.0689 -10.0689 -9.3863 -9.3863 -0.9090 -0.9090 -0.4448 -0.4448 0.4595 0.4595 1.0290 1.0290 1.4833 1.4833 2.6051 2.6051 4.3107 4.3107 4.7096 4.7096 5.3932 5.3932 5.8174 5.8174 6.0394 6.0394 9.8748 9.8748 12.9732 12.9732 13.1034 13.1034 14.1450 14.1450 k = 0.1685-0.2721-0.5259 ( 2553 PWs) bands (ev): -31.1505 -31.1505 -12.6650 -12.6650 -12.3649 -12.3649 -12.0973 -12.0973 -10.0524 -10.0524 -9.3944 -9.3944 -0.9033 -0.9033 -0.4446 -0.4446 0.4611 0.4611 1.0238 1.0238 1.4881 1.4881 2.6797 2.6797 4.3032 4.3032 4.6713 4.6713 5.3722 5.3722 5.8225 5.8225 6.0471 6.0471 9.8907 9.8907 12.8997 12.8997 13.1108 13.1108 14.1467 14.1467 k = 0.1741-0.2812-0.5435 ( 2555 PWs) bands (ev): -31.1494 -31.1494 -12.6740 -12.6740 -12.3648 -12.3648 -12.1021 -12.1021 -10.0368 -10.0368 -9.4021 -9.4021 -0.8978 -0.8978 -0.4445 -0.4445 0.4628 0.4628 1.0188 1.0188 1.4929 1.4929 2.7553 2.7553 4.2961 4.2961 4.6346 4.6346 5.3508 5.3508 5.8271 5.8271 6.0543 6.0543 9.9044 9.9044 12.8247 12.8247 13.1181 13.1181 14.1345 14.1345 k = 0.1797-0.2903-0.5610 ( 2553 PWs) bands (ev): -31.1482 -31.1482 -12.6830 -12.6830 -12.3643 -12.3643 -12.1070 -12.1070 -10.0219 -10.0219 -9.4092 -9.4092 -0.8925 -0.8925 -0.4443 -0.4443 0.4647 0.4647 1.0139 1.0139 1.4976 1.4976 2.8318 2.8318 4.2896 4.2896 4.5995 4.5995 5.3291 5.3291 5.8311 5.8311 6.0609 6.0609 9.9160 9.9160 12.7493 12.7493 13.1249 13.1249 14.1088 14.1088 k = 0.1853-0.2993-0.5785 ( 2551 PWs) bands (ev): -31.1471 -31.1471 -12.6918 -12.6918 -12.3634 -12.3634 -12.1120 -12.1120 -10.0079 -10.0079 -9.4158 -9.4158 -0.8874 -0.8874 -0.4441 -0.4441 0.4667 0.4667 1.0092 1.0092 1.5021 1.5021 2.9088 2.9088 4.2836 4.2836 4.5662 4.5662 5.3071 5.3071 5.8345 5.8345 6.0671 6.0671 9.9254 9.9254 12.6747 12.6747 13.1306 13.1306 14.0705 14.0705 k = 0.1909-0.3084-0.5961 ( 2543 PWs) bands (ev): -31.1460 -31.1460 -12.7004 -12.7004 -12.3624 -12.3624 -12.1168 -12.1168 -9.9948 -9.9948 -9.4218 -9.4218 -0.8825 -0.8825 -0.4439 -0.4439 0.4689 0.4689 1.0047 1.0047 1.5065 1.5065 2.9863 2.9863 4.2780 4.2780 4.5348 4.5348 5.2848 5.2848 5.8373 5.8373 6.0728 6.0728 9.9327 9.9327 12.6017 12.6017 13.1350 13.1350 14.0205 14.0205 k = 0.1966-0.3175-0.6136 ( 2549 PWs) bands (ev): -31.1449 -31.1449 -12.7087 -12.7087 -12.3614 -12.3614 -12.1217 -12.1217 -9.9825 -9.9825 -9.4271 -9.4271 -0.8779 -0.8779 -0.4436 -0.4436 0.4711 0.4711 1.0003 1.0003 1.5107 1.5107 3.0638 3.0638 4.2728 4.2728 4.5053 4.5053 5.2622 5.2622 5.8394 5.8394 6.0780 6.0780 9.9379 9.9379 12.5313 12.5313 13.1372 13.1372 13.9592 13.9592 k = 0.2022-0.3265-0.6311 ( 2549 PWs) bands (ev): -31.1439 -31.1439 -12.7165 -12.7165 -12.3605 -12.3605 -12.1266 -12.1266 -9.9712 -9.9712 -9.4318 -9.4318 -0.8734 -0.8734 -0.4433 -0.4433 0.4735 0.4735 0.9961 0.9961 1.5147 1.5147 3.1413 3.1413 4.2681 4.2681 4.4779 4.4779 5.2396 5.2396 5.8407 5.8407 6.0828 6.0828 9.9412 9.9412 12.4639 12.4639 13.1360 13.1360 13.8881 13.8881 k = 0.2078-0.3356-0.6487 ( 2551 PWs) bands (ev): -31.1429 -31.1429 -12.7237 -12.7237 -12.3599 -12.3599 -12.1313 -12.1313 -9.9609 -9.9609 -9.4357 -9.4357 -0.8692 -0.8692 -0.4430 -0.4430 0.4759 0.4759 0.9922 0.9922 1.5185 1.5185 3.2182 3.2182 4.2638 4.2638 4.4526 4.4526 5.2168 5.2168 5.8413 5.8413 6.0872 6.0872 9.9430 9.9430 12.4003 12.4003 13.1294 13.1294 13.8103 13.8103 k = 0.2134-0.3447-0.6662 ( 2547 PWs) bands (ev): -31.1419 -31.1419 -12.7302 -12.7302 -12.3595 -12.3595 -12.1359 -12.1359 -9.9515 -9.9515 -9.4389 -9.4389 -0.8653 -0.8653 -0.4425 -0.4425 0.4783 0.4783 0.9884 0.9884 1.5219 1.5219 3.2946 3.2946 4.2598 4.2598 4.4294 4.4294 5.1940 5.1940 5.8411 5.8411 6.0913 6.0913 9.9435 9.9435 12.3407 12.3407 13.1148 13.1148 13.7310 13.7310 k = 0.2190-0.3537-0.6837 ( 2545 PWs) bands (ev): -31.1409 -31.1409 -12.7361 -12.7361 -12.3596 -12.3596 -12.1403 -12.1403 -9.9431 -9.9431 -9.4413 -9.4413 -0.8616 -0.8616 -0.4420 -0.4420 0.4807 0.4807 0.9849 0.9849 1.5251 1.5251 3.3699 3.3699 4.2563 4.2563 4.4084 4.4084 5.1711 5.1711 5.8400 5.8400 6.0950 6.0950 9.9432 9.9432 12.2854 12.2854 13.0878 13.0878 13.6570 13.6570 k = 0.2246-0.3628-0.7012 ( 2549 PWs) bands (ev): -31.1400 -31.1400 -12.7413 -12.7413 -12.3602 -12.3602 -12.1446 -12.1446 -9.9357 -9.9357 -9.4429 -9.4429 -0.8581 -0.8581 -0.4415 -0.4415 0.4831 0.4831 0.9817 0.9817 1.5279 1.5279 3.4439 3.4439 4.2531 4.2531 4.3896 4.3896 5.1483 5.1483 5.8382 5.8382 6.0983 6.0983 9.9427 9.9427 12.2345 12.2345 13.0444 13.0444 13.5952 13.5952 k = 0.2303-0.3719-0.7188 ( 2553 PWs) bands (ev): -31.1392 -31.1392 -12.7457 -12.7457 -12.3613 -12.3613 -12.1487 -12.1487 -9.9293 -9.9293 -9.4437 -9.4437 -0.8549 -0.8549 -0.4409 -0.4409 0.4855 0.4855 0.9786 0.9786 1.5303 1.5303 3.5163 3.5163 4.2504 4.2504 4.3730 4.3730 5.1256 5.1256 5.8355 5.8355 6.1014 6.1014 9.9424 9.9424 12.1880 12.1880 12.9818 12.9818 13.5503 13.5503 k = 0.2359-0.3810-0.7363 ( 2557 PWs) bands (ev): -31.1383 -31.1383 -12.7492 -12.7492 -12.3631 -12.3631 -12.1525 -12.1525 -9.9240 -9.9240 -9.4437 -9.4437 -0.8519 -0.8519 -0.4402 -0.4402 0.4878 0.4878 0.9758 0.9758 1.5324 1.5324 3.5869 3.5869 4.2481 4.2481 4.3585 4.3585 5.1031 5.1031 5.8319 5.8319 6.1041 6.1041 9.9430 9.9430 12.1457 12.1457 12.9014 12.9014 13.5226 13.5226 k = 0.2415-0.3900-0.7538 ( 2557 PWs) bands (ev): -31.1376 -31.1376 -12.7520 -12.7520 -12.3654 -12.3654 -12.1560 -12.1560 -9.9197 -9.9197 -9.4429 -9.4429 -0.8492 -0.8492 -0.4395 -0.4395 0.4900 0.4900 0.9733 0.9733 1.5342 1.5342 3.6552 3.6552 4.2463 4.2463 4.3461 4.3461 5.0808 5.0808 5.8275 5.8275 6.1066 6.1066 9.9453 9.9453 12.1072 12.1072 12.8073 12.8073 13.5093 13.5093 k = 0.2471-0.3991-0.7714 ( 2555 PWs) bands (ev): -31.1368 -31.1368 -12.7539 -12.7539 -12.3684 -12.3684 -12.1592 -12.1592 -9.9165 -9.9165 -9.4412 -9.4412 -0.8467 -0.8467 -0.4388 -0.4388 0.4920 0.4920 0.9710 0.9710 1.5355 1.5355 3.7211 3.7211 4.2450 4.2450 4.3356 4.3356 5.0587 5.0587 5.8222 5.8222 6.1087 6.1087 9.9498 9.9498 12.0722 12.0722 12.7041 12.7041 13.5067 13.5067 k = 0.2527-0.4082-0.7889 ( 2559 PWs) bands (ev): -31.1362 -31.1362 -12.7551 -12.7551 -12.3720 -12.3720 -12.1621 -12.1621 -9.9143 -9.9143 -9.4386 -9.4386 -0.8445 -0.8445 -0.4380 -0.4380 0.4940 0.4940 0.9690 0.9690 1.5365 1.5365 3.7841 3.7841 4.2445 4.2445 4.3270 4.3270 5.0370 5.0370 5.8160 5.8160 6.1106 6.1106 9.9573 9.9573 12.0399 12.0399 12.5959 12.5959 13.5117 13.5117 k = 0.2583-0.4172-0.8064 ( 2549 PWs) bands (ev): -31.1355 -31.1355 -12.7553 -12.7553 -12.3762 -12.3762 -12.1647 -12.1647 -9.9131 -9.9131 -9.4353 -9.4353 -0.8425 -0.8425 -0.4371 -0.4371 0.4957 0.4957 0.9672 0.9672 1.5372 1.5372 3.8440 3.8440 4.2447 4.2447 4.3202 4.3202 5.0156 5.0156 5.8090 5.8090 6.1122 6.1122 9.9684 9.9684 12.0096 12.0096 12.4860 12.4860 13.5223 13.5223 k = 0.2640-0.4263-0.8240 ( 2543 PWs) bands (ev): -31.1349 -31.1349 -12.7549 -12.7549 -12.3810 -12.3810 -12.1671 -12.1671 -9.9130 -9.9130 -9.4311 -9.4311 -0.8407 -0.8407 -0.4362 -0.4362 0.4973 0.4973 0.9657 0.9657 1.5374 1.5374 3.9004 3.9004 4.2461 4.2461 4.3148 4.3148 4.9946 4.9946 5.8012 5.8012 6.1136 6.1136 9.9837 9.9837 11.9798 11.9798 12.3772 12.3772 13.5369 13.5369 k = 0.2696-0.4354-0.8415 ( 2539 PWs) bands (ev): -31.1344 -31.1344 -12.7537 -12.7537 -12.3862 -12.3862 -12.1691 -12.1691 -9.9140 -9.9140 -9.4262 -9.4262 -0.8392 -0.8392 -0.4354 -0.4354 0.4986 0.4986 0.9644 0.9644 1.5374 1.5374 3.9530 3.9530 4.2487 4.2487 4.3109 4.3109 4.9741 4.9741 5.7925 5.7925 6.1146 6.1146 10.0038 10.0038 11.9481 11.9481 12.2727 12.2727 13.5546 13.5546 k = 0.2752-0.4445-0.8590 ( 2539 PWs) bands (ev): -31.1339 -31.1339 -12.7518 -12.7518 -12.3919 -12.3919 -12.1710 -12.1710 -9.9159 -9.9159 -9.4204 -9.4204 -0.8379 -0.8379 -0.4345 -0.4345 0.4997 0.4997 0.9632 0.9632 1.5371 1.5371 4.0011 4.0011 4.2531 4.2531 4.3083 4.3083 4.9540 4.9540 5.7831 5.7831 6.1154 6.1154 10.0291 10.0291 11.9101 11.9101 12.1775 12.1775 13.5748 13.5748 k = 0.2808-0.4535-0.8766 ( 2541 PWs) bands (ev): -31.1335 -31.1335 -12.7493 -12.7493 -12.3979 -12.3979 -12.1726 -12.1726 -9.9189 -9.9189 -9.4140 -9.4140 -0.8369 -0.8369 -0.4337 -0.4337 0.5006 0.5006 0.9623 0.9623 1.5365 1.5365 4.0442 4.0442 4.2597 4.2597 4.3071 4.3071 4.9345 4.9345 5.7728 5.7728 6.1158 6.1158 10.0598 10.0598 11.8592 11.8592 12.0986 12.0986 13.5971 13.5971 k = 0.2864-0.4626-0.8941 ( 2535 PWs) bands (ev): -31.1331 -31.1331 -12.7462 -12.7462 -12.4040 -12.4040 -12.1740 -12.1740 -9.9229 -9.9229 -9.4068 -9.4068 -0.8360 -0.8360 -0.4329 -0.4329 0.5012 0.5012 0.9616 0.9616 1.5357 1.5357 4.0813 4.0813 4.2688 4.2688 4.3075 4.3075 4.9156 4.9156 5.7619 5.7619 6.1160 6.1160 10.0962 10.0962 11.7902 11.7902 12.0416 12.0416 13.6211 13.6211 k = 0.2920-0.4717-0.9116 ( 2533 PWs) bands (ev): -31.1327 -31.1327 -12.7426 -12.7426 -12.4103 -12.4103 -12.1752 -12.1752 -9.9279 -9.9279 -9.3989 -9.3989 -0.8354 -0.8354 -0.4321 -0.4321 0.5016 0.5016 0.9610 0.9610 1.5347 1.5347 4.1116 4.1116 4.2795 4.2795 4.3113 4.3113 4.8972 4.8972 5.7504 5.7504 6.1158 6.1158 10.1383 10.1383 11.7058 11.7058 12.0040 12.0040 13.6467 13.6467 k = 0.2976-0.4807-0.9292 ( 2529 PWs) bands (ev): -31.1325 -31.1325 -12.7387 -12.7387 -12.4165 -12.4165 -12.1762 -12.1762 -9.9338 -9.9338 -9.3904 -9.3904 -0.8350 -0.8350 -0.4314 -0.4314 0.5017 0.5017 0.9605 0.9605 1.5336 1.5336 4.1347 4.1347 4.2880 4.2880 4.3225 4.3225 4.8795 4.8795 5.7382 5.7382 6.1153 6.1153 10.1859 10.1859 11.6134 11.6134 11.9786 11.9786 13.6737 13.6737 k = 0.3033-0.4898-0.9467 ( 2532 PWs) bands (ev): -31.1322 -31.1322 -12.7345 -12.7345 -12.4225 -12.4225 -12.1772 -12.1772 -9.9406 -9.9406 -9.3814 -9.3814 -0.8349 -0.8349 -0.4309 -0.4309 0.5016 0.5016 0.9601 0.9601 1.5325 1.5325 4.1512 4.1512 4.2917 4.2917 4.3431 4.3431 4.8625 4.8625 5.7255 5.7255 6.1144 6.1144 10.2385 10.2385 11.5189 11.5189 11.9603 11.9603 13.7019 13.7019 k = 0.3089-0.4989-0.9642 ( 2534 PWs) bands (ev): -31.1320 -31.1320 -12.7303 -12.7303 -12.4280 -12.4280 -12.1780 -12.1780 -9.9484 -9.9484 -9.3717 -9.3717 -0.8349 -0.8349 -0.4304 -0.4304 0.5012 0.5012 0.9598 0.9598 1.5313 1.5313 4.1625 4.1625 4.2926 4.2926 4.3697 4.3697 4.8462 4.8462 5.7123 5.7123 6.1131 6.1131 10.2952 10.2952 11.4256 11.4256 11.9463 11.9463 13.7312 13.7312 k = 0.3145-0.5079-0.9817 ( 2526 PWs) bands (ev): -31.1319 -31.1319 -12.7261 -12.7261 -12.4330 -12.4330 -12.1786 -12.1786 -9.9571 -9.9571 -9.3616 -9.3616 -0.8352 -0.8352 -0.4301 -0.4301 0.5006 0.5006 0.9594 0.9594 1.5303 1.5303 4.1700 4.1700 4.2921 4.2921 4.3997 4.3997 4.8307 4.8307 5.6987 5.6987 6.1115 6.1115 10.3545 10.3545 11.3366 11.3366 11.9351 11.9351 13.7615 13.7615 k = 0.3201-0.5170-0.9993 ( 2526 PWs) bands (ev): -31.1317 -31.1317 -12.7222 -12.7222 -12.4372 -12.4372 -12.1792 -12.1792 -9.9666 -9.9666 -9.3510 -9.3510 -0.8356 -0.8356 -0.4299 -0.4299 0.4998 0.4998 0.9591 0.9591 1.5294 1.5294 4.1747 4.1747 4.2904 4.2904 4.4314 4.4314 4.8160 4.8160 5.6847 5.6847 6.1095 6.1095 10.4140 10.4140 11.2546 11.2546 11.9260 11.9260 13.7928 13.7929 k = 0.3257-0.5261-1.0168 ( 2526 PWs) bands (ev): -31.1317 -31.1317 -12.7187 -12.7187 -12.4405 -12.4405 -12.1796 -12.1796 -9.9769 -9.9769 -9.3400 -9.3400 -0.8363 -0.8363 -0.4299 -0.4299 0.4987 0.4987 0.9586 0.9586 1.5288 1.5288 4.1776 4.1776 4.2878 4.2878 4.4643 4.4643 4.8021 4.8021 5.6704 5.6704 6.1072 6.1072 10.4695 10.4695 11.1839 11.1839 11.9188 11.9188 13.8250 13.8251 k = 0.3313-0.5352-1.0343 ( 2528 PWs) bands (ev): -31.1316 -31.1316 -12.7159 -12.7159 -12.4425 -12.4425 -12.1800 -12.1800 -9.9880 -9.9880 -9.3286 -9.3286 -0.8371 -0.8371 -0.4301 -0.4301 0.4974 0.4974 0.9581 0.9581 1.5285 1.5285 4.1790 4.1790 4.2841 4.2841 4.4977 4.4977 4.7890 4.7890 5.6559 5.6559 6.1044 6.1044 10.5141 10.5141 11.1309 11.1309 11.9133 11.9133 13.8580 13.8585 k = 0.3370-0.5442-1.0519 ( 2528 PWs) bands (ev): -31.1316 -31.1316 -12.7139 -12.7139 -12.4432 -12.4432 -12.1802 -12.1802 -9.9999 -9.9999 -9.3170 -9.3170 -0.8381 -0.8381 -0.4305 -0.4305 0.4960 0.4960 0.9574 0.9574 1.5285 1.5285 4.1794 4.1794 4.2794 4.2794 4.5316 4.5316 4.7769 4.7769 5.6412 5.6412 6.1012 6.1012 10.5387 10.5387 11.1041 11.1041 11.9097 11.9097 13.8918 13.8924 k = 0.3426-0.5533-1.0694 ( 2528 PWs) bands (ev): -31.1317 -31.1317 -12.7129 -12.7129 -12.4425 -12.4425 -12.1802 -12.1802 -10.0124 -10.0124 -9.3051 -9.3051 -0.8394 -0.8394 -0.4311 -0.4311 0.4944 0.4944 0.9565 0.9565 1.5289 1.5289 4.1788 4.1788 4.2737 4.2737 4.5657 4.5657 4.7659 4.7659 5.6264 5.6264 6.0976 6.0976 10.5358 10.5358 11.1101 11.1101 11.9087 11.9087 13.9208 13.9253 k = 0.6574-0.4110-0.9828 ( 2528 PWs) bands (ev): -31.1317 -31.1317 -12.7129 -12.7129 -12.4425 -12.4425 -12.1802 -12.1802 -10.0124 -10.0124 -9.3051 -9.3051 -0.8394 -0.8394 -0.4311 -0.4311 0.4944 0.4944 0.9565 0.9565 1.5289 1.5289 4.1788 4.1788 4.2737 4.2737 4.5657 4.5657 4.7659 4.7659 5.6264 5.6264 6.0976 6.0976 10.5358 10.5358 11.1101 11.1101 11.9087 11.9087 13.9213 13.9252 k = 0.6518-0.3913-0.9828 ( 2530 PWs) bands (ev): -31.1318 -31.1318 -12.7130 -12.7130 -12.4402 -12.4402 -12.1802 -12.1802 -10.0256 -10.0256 -9.2930 -9.2930 -0.8407 -0.8407 -0.4320 -0.4320 0.4926 0.4926 0.9554 0.9554 1.5299 1.5299 4.1775 4.1775 4.2670 4.2670 4.5997 4.5997 4.7562 4.7562 5.6115 5.6115 6.0936 6.0936 10.5064 10.5064 11.1466 11.1466 11.9109 11.9109 13.9253 13.9365 k = 0.6462-0.3715-0.9828 ( 2536 PWs) bands (ev): -31.1319 -31.1319 -12.7141 -12.7141 -12.4364 -12.4364 -12.1799 -12.1799 -10.0394 -10.0394 -9.2808 -9.2808 -0.8423 -0.8423 -0.4331 -0.4331 0.4907 0.4907 0.9541 0.9541 1.5313 1.5313 4.1756 4.1756 4.2593 4.2593 4.6332 4.6332 4.7482 4.7482 5.5967 5.5967 6.0893 6.0893 10.4581 10.4581 11.2037 11.2037 11.9177 11.9177 13.9128 13.9335 k = 0.6406-0.3518-0.9828 ( 2538 PWs) bands (ev): -31.1320 -31.1320 -12.7164 -12.7164 -12.4310 -12.4310 -12.1794 -12.1794 -10.0537 -10.0537 -9.2685 -9.2685 -0.8440 -0.8440 -0.4344 -0.4344 0.4888 0.4888 0.9526 0.9526 1.5334 1.5334 4.1731 4.1731 4.2507 4.2507 4.6645 4.6645 4.7435 4.7435 5.5818 5.5818 6.0845 6.0845 10.3991 10.3991 11.2710 11.2710 11.9310 11.9310 13.9019 13.9019 k = 0.6349-0.3320-0.9828 ( 2538 PWs) bands (ev): -31.1322 -31.1322 -12.7197 -12.7197 -12.4244 -12.4244 -12.1787 -12.1787 -10.0685 -10.0685 -9.2562 -9.2562 -0.8458 -0.8458 -0.4359 -0.4359 0.4867 0.4867 0.9508 0.9508 1.5360 1.5360 4.1700 4.1700 4.2414 4.2414 4.6887 4.6887 4.7470 4.7470 5.5671 5.5671 6.0794 6.0794 10.3347 10.3347 11.3396 11.3396 11.9533 11.9533 13.8894 13.8894 k = 0.6293-0.3122-0.9828 ( 2544 PWs) bands (ev): -31.1323 -31.1323 -12.7239 -12.7239 -12.4165 -12.4165 -12.1777 -12.1777 -10.0837 -10.0837 -9.2439 -9.2439 -0.8477 -0.8477 -0.4377 -0.4377 0.4845 0.4845 0.9488 0.9488 1.5392 1.5392 4.1665 4.1665 4.2315 4.2315 4.6986 4.6986 4.7658 4.7658 5.5526 5.5526 6.0740 6.0740 10.2683 10.2683 11.4027 11.4027 11.9872 11.9872 13.8741 13.8741 k = 0.6237-0.2925-0.9828 ( 2546 PWs) bands (ev): -31.1325 -31.1325 -12.7288 -12.7288 -12.4077 -12.4077 -12.1763 -12.1763 -10.0993 -10.0993 -9.2317 -9.2317 -0.8498 -0.8498 -0.4397 -0.4397 0.4823 0.4823 0.9466 0.9466 1.5430 1.5430 4.1626 4.1626 4.2210 4.2210 4.6983 4.6983 4.7955 4.7955 5.5383 5.5383 6.0683 6.0683 10.2015 10.2015 11.4553 11.4553 12.0350 12.0350 13.8574 13.8574 k = 0.6181-0.2727-0.9828 ( 2544 PWs) bands (ev): -31.1327 -31.1327 -12.7344 -12.7344 -12.3982 -12.3982 -12.1745 -12.1745 -10.1151 -10.1151 -9.2196 -9.2196 -0.8519 -0.8519 -0.4420 -0.4420 0.4801 0.4801 0.9442 0.9442 1.5473 1.5473 4.1583 4.1583 4.2102 4.2102 4.6950 4.6950 4.8290 4.8290 5.5242 5.5242 6.0623 6.0623 10.1356 10.1356 11.4950 11.4950 12.0964 12.0964 13.8408 13.8408 k = 0.6124-0.2530-0.9828 ( 2542 PWs) bands (ev): -31.1330 -31.1330 -12.7405 -12.7405 -12.3881 -12.3881 -12.1722 -12.1722 -10.1311 -10.1311 -9.2077 -9.2077 -0.8541 -0.8541 -0.4444 -0.4444 0.4779 0.4779 0.9417 0.9417 1.5522 1.5522 4.1537 4.1537 4.1992 4.1992 4.6911 4.6911 4.8638 4.8638 5.5105 5.5105 6.0561 6.0561 10.0713 10.0713 11.5223 11.5223 12.1691 12.1691 13.8259 13.8259 k = 0.6068-0.2332-0.9828 ( 2540 PWs) bands (ev): -31.1332 -31.1332 -12.7469 -12.7469 -12.3779 -12.3779 -12.1694 -12.1694 -10.1473 -10.1473 -9.1961 -9.1961 -0.8564 -0.8564 -0.4470 -0.4470 0.4756 0.4756 0.9390 0.9390 1.5575 1.5575 4.1488 4.1488 4.1880 4.1880 4.6872 4.6872 4.8989 4.8989 5.4971 5.4971 6.0496 6.0496 10.0091 10.0091 11.5392 11.5392 12.2485 12.2485 13.8142 13.8142 k = 0.6012-0.2134-0.9828 ( 2542 PWs) bands (ev): -31.1334 -31.1334 -12.7536 -12.7536 -12.3677 -12.3677 -12.1660 -12.1660 -10.1635 -10.1635 -9.1848 -9.1848 -0.8588 -0.8588 -0.4498 -0.4498 0.4733 0.4733 0.9362 0.9362 1.5633 1.5633 4.1436 4.1436 4.1768 4.1768 4.6837 4.6837 4.9339 4.9339 5.4841 5.4841 6.0430 6.0430 9.9492 9.9492 11.5486 11.5486 12.3302 12.3302 13.8070 13.8070 k = 0.5956-0.1937-0.9828 ( 2544 PWs) bands (ev): -31.1337 -31.1337 -12.7604 -12.7604 -12.3577 -12.3577 -12.1619 -12.1619 -10.1796 -10.1796 -9.1737 -9.1737 -0.8611 -0.8611 -0.4527 -0.4527 0.4711 0.4711 0.9333 0.9333 1.5694 1.5694 4.1382 4.1382 4.1658 4.1658 4.6805 4.6805 4.9684 4.9684 5.4715 5.4715 6.0363 6.0363 9.8919 9.8919 11.5524 11.5524 12.4096 12.4096 13.8051 13.8051 k = 0.5900-0.1739-0.9828 ( 2548 PWs) bands (ev): -31.1339 -31.1339 -12.7672 -12.7672 -12.3482 -12.3482 -12.1572 -12.1572 -10.1956 -10.1956 -9.1631 -9.1631 -0.8635 -0.8635 -0.4557 -0.4557 0.4689 0.4689 0.9305 0.9305 1.5759 1.5759 4.1327 4.1327 4.1549 4.1549 4.6779 4.6779 5.0023 5.0023 5.4594 5.4594 6.0296 6.0296 9.8373 9.8373 11.5524 11.5524 12.4833 12.4833 13.8091 13.8091 k = 0.5843-0.1541-0.9828 ( 2550 PWs) bands (ev): -31.1342 -31.1342 -12.7740 -12.7740 -12.3392 -12.3392 -12.1517 -12.1517 -10.2114 -10.2114 -9.1529 -9.1529 -0.8659 -0.8659 -0.4588 -0.4588 0.4667 0.4667 0.9277 0.9277 1.5825 1.5825 4.1271 4.1271 4.1444 4.1444 4.6756 4.6756 5.0354 5.0354 5.4479 5.4479 6.0228 6.0228 9.7857 9.7857 11.5499 11.5499 12.5486 12.5486 13.8190 13.8190 k = 0.5787-0.1344-0.9828 ( 2550 PWs) bands (ev): -31.1344 -31.1344 -12.7806 -12.7806 -12.3310 -12.3310 -12.1456 -12.1456 -10.2269 -10.2269 -9.1432 -9.1432 -0.8682 -0.8682 -0.4619 -0.4619 0.4646 0.4646 0.9249 0.9249 1.5893 1.5893 4.1214 4.1214 4.1344 4.1344 4.6738 4.6738 5.0675 5.0675 5.4369 5.4369 6.0161 6.0161 9.7370 9.7370 11.5456 11.5456 12.6039 12.6039 13.8343 13.8343 k = 0.5731-0.1146-0.9828 ( 2550 PWs) bands (ev): -31.1347 -31.1347 -12.7869 -12.7869 -12.3237 -12.3237 -12.1389 -12.1389 -10.2419 -10.2419 -9.1339 -9.1339 -0.8705 -0.8705 -0.4650 -0.4650 0.4625 0.4625 0.9222 0.9222 1.5961 1.5961 4.1156 4.1156 4.1249 4.1249 4.6724 4.6724 5.0983 5.0983 5.4264 5.4264 6.0095 6.0095 9.6915 9.6915 11.5403 11.5403 12.6484 12.6484 13.8536 13.8536 k = 0.5675-0.0949-0.9828 ( 2554 PWs) bands (ev): -31.1349 -31.1349 -12.7931 -12.7931 -12.3172 -12.3172 -12.1316 -12.1316 -10.2563 -10.2563 -9.1252 -9.1252 -0.8727 -0.8727 -0.4681 -0.4681 0.4605 0.4605 0.9197 0.9197 1.6028 1.6028 4.1097 4.1097 4.1161 4.1161 4.6713 4.6713 5.1278 5.1278 5.4165 5.4165 6.0031 6.0031 9.6490 9.6490 11.5342 11.5342 12.6825 12.6825 13.8753 13.8753 k = 0.5618-0.0751-0.9828 ( 2554 PWs) bands (ev): -31.1351 -31.1351 -12.7988 -12.7988 -12.3115 -12.3115 -12.1240 -12.1240 -10.2701 -10.2701 -9.1171 -9.1171 -0.8748 -0.8748 -0.4711 -0.4711 0.4586 0.4586 0.9173 0.9173 1.6094 1.6094 4.1034 4.1034 4.1084 4.1084 4.6705 4.6705 5.1557 5.1557 5.4073 5.4073 5.9969 5.9969 9.6098 9.6098 11.5278 11.5278 12.7073 12.7073 13.8980 13.8980 k = 0.5562-0.0553-0.9828 ( 2558 PWs) bands (ev): -31.1354 -31.1354 -12.8042 -12.8042 -12.3067 -12.3067 -12.1162 -12.1162 -10.2832 -10.2832 -9.1095 -9.1095 -0.8768 -0.8768 -0.4740 -0.4740 0.4569 0.4569 0.9151 0.9151 1.6158 1.6158 4.0966 4.0966 4.1021 4.1021 4.6699 4.6699 5.1820 5.1820 5.3987 5.3987 5.9911 5.9911 9.5738 9.5738 11.5213 11.5213 12.7241 12.7241 13.9203 13.9203 k = 0.5506-0.0356-0.9828 ( 2552 PWs) bands (ev): -31.1356 -31.1356 -12.8092 -12.8092 -12.3026 -12.3026 -12.1084 -12.1084 -10.2954 -10.2954 -9.1026 -9.1026 -0.8787 -0.8787 -0.4767 -0.4767 0.4552 0.4552 0.9130 0.9130 1.6219 1.6219 4.0899 4.0899 4.0966 4.0966 4.6695 4.6695 5.2064 5.2064 5.3907 5.3907 5.9856 5.9856 9.5412 9.5412 11.5151 11.5151 12.7348 12.7348 13.9412 13.9412 k = 0.5450-0.0158-0.9828 ( 2544 PWs) bands (ev): -31.1357 -31.1357 -12.8137 -12.8137 -12.2992 -12.2992 -12.1007 -12.1007 -10.3067 -10.3067 -9.0964 -9.0964 -0.8804 -0.8804 -0.4793 -0.4793 0.4536 0.4536 0.9112 0.9112 1.6276 1.6276 4.0835 4.0835 4.0918 4.0918 4.6693 4.6693 5.2288 5.2288 5.3833 5.3833 5.9805 5.9805 9.5119 9.5119 11.5091 11.5091 12.7406 12.7406 13.9603 13.9603 k = 0.5394 0.0039-0.9828 ( 2542 PWs) bands (ev): -31.1359 -31.1359 -12.8178 -12.8178 -12.2963 -12.2963 -12.0935 -12.0935 -10.3169 -10.3169 -9.0908 -9.0908 -0.8820 -0.8820 -0.4816 -0.4816 0.4522 0.4522 0.9096 0.9096 1.6328 1.6328 4.0778 4.0778 4.0875 4.0875 4.6693 4.6693 5.2492 5.2492 5.3766 5.3766 5.9758 5.9758 9.4859 9.4859 11.5035 11.5035 12.7430 12.7430 13.9772 13.9772 k = 0.5337 0.0237-0.9828 ( 2548 PWs) bands (ev): -31.1360 -31.1360 -12.8214 -12.8214 -12.2941 -12.2941 -12.0869 -12.0869 -10.3260 -10.3260 -9.0859 -9.0859 -0.8834 -0.8834 -0.4837 -0.4837 0.4510 0.4510 0.9082 0.9082 1.6374 1.6374 4.0728 4.0728 4.0837 4.0837 4.6693 4.6693 5.2675 5.2675 5.3704 5.3704 5.9717 5.9717 9.4634 9.4634 11.4985 11.4985 12.7431 12.7431 13.9917 13.9917 k = 0.5281 0.0435-0.9828 ( 2540 PWs) bands (ev): -31.1362 -31.1362 -12.8244 -12.8244 -12.2922 -12.2922 -12.0809 -12.0809 -10.3338 -10.3338 -9.0817 -9.0817 -0.8846 -0.8846 -0.4855 -0.4855 0.4499 0.4499 0.9070 0.9070 1.6415 1.6415 4.0685 4.0685 4.0804 4.0804 4.6693 4.6693 5.2836 5.2836 5.3647 5.3647 5.9681 5.9681 9.4443 9.4443 11.4943 11.4943 12.7419 12.7419 14.0040 14.0040 k = 0.5225 0.0632-0.9828 ( 2540 PWs) bands (ev): -31.1363 -31.1363 -12.8270 -12.8270 -12.2908 -12.2908 -12.0759 -12.0759 -10.3403 -10.3403 -9.0783 -9.0783 -0.8856 -0.8856 -0.4870 -0.4870 0.4490 0.4490 0.9060 0.9060 1.6449 1.6449 4.0649 4.0649 4.0776 4.0776 4.6694 4.6694 5.2975 5.2975 5.3594 5.3594 5.9651 5.9651 9.4286 9.4286 11.4906 11.4906 12.7400 12.7400 14.0139 14.0139 k = 0.5169 0.0830-0.9828 ( 2536 PWs) bands (ev): -31.1363 -31.1363 -12.8289 -12.8289 -12.2897 -12.2897 -12.0718 -12.0718 -10.3454 -10.3454 -9.0757 -9.0757 -0.8864 -0.8864 -0.4882 -0.4882 0.4483 0.4483 0.9052 0.9052 1.6476 1.6476 4.0622 4.0622 4.0754 4.0754 4.6695 4.6695 5.3093 5.3093 5.3544 5.3544 5.9628 5.9628 9.4164 9.4164 11.4877 11.4877 12.7380 12.7380 14.0215 14.0215 k = 0.5112 0.1027-0.9828 ( 2538 PWs) bands (ev): -31.1364 -31.1364 -12.8304 -12.8304 -12.2890 -12.2890 -12.0689 -12.0689 -10.3492 -10.3492 -9.0737 -9.0737 -0.8869 -0.8869 -0.4891 -0.4891 0.4478 0.4478 0.9047 0.9047 1.6495 1.6495 4.0602 4.0602 4.0738 4.0738 4.6696 4.6696 5.3189 5.3189 5.3496 5.3496 5.9610 5.9610 9.4077 9.4077 11.4856 11.4856 12.7362 12.7362 14.0270 14.0270 k = 0.5056 0.1225-0.9828 ( 2538 PWs) bands (ev): -31.1364 -31.1364 -12.8312 -12.8312 -12.2886 -12.2886 -12.0671 -12.0671 -10.3514 -10.3514 -9.0726 -9.0726 -0.8873 -0.8873 -0.4896 -0.4896 0.4475 0.4475 0.9044 0.9044 1.6507 1.6507 4.0590 4.0590 4.0729 4.0729 4.6697 4.6697 5.3262 5.3262 5.3453 5.3453 5.9600 5.9600 9.4024 9.4024 11.4843 11.4843 12.7351 12.7351 14.0302 14.0302 k = 0.5000 0.1423-0.9828 ( 2534 PWs) bands (ev): -31.1364 -31.1364 -12.8315 -12.8315 -12.2884 -12.2884 -12.0665 -12.0665 -10.3521 -10.3521 -9.0722 -9.0722 -0.8874 -0.8874 -0.4898 -0.4898 0.4474 0.4474 0.9043 0.9043 1.6511 1.6511 4.0586 4.0586 4.0726 4.0726 4.6697 4.6697 5.3294 5.3294 5.3431 5.3431 5.9597 5.9597 9.4007 9.4007 11.4839 11.4839 12.7347 12.7347 14.0313 14.0313 k = 0.5000 0.1423-0.9828 ( 2534 PWs) bands (ev): -31.1364 -31.1364 -12.8315 -12.8315 -12.2884 -12.2884 -12.0665 -12.0665 -10.3521 -10.3521 -9.0722 -9.0722 -0.8874 -0.8874 -0.4898 -0.4898 0.4474 0.4474 0.9043 0.9043 1.6511 1.6511 4.0586 4.0586 4.0726 4.0726 4.6697 4.6697 5.3294 5.3294 5.3431 5.3431 5.9597 5.9597 9.4007 9.4007 11.4839 11.4839 12.7347 12.7347 14.0313 14.0313 k = 0.5175 0.1472-0.9732 ( 2536 PWs) bands (ev): -31.1365 -31.1365 -12.8316 -12.8316 -12.2885 -12.2885 -12.0665 -12.0665 -10.3510 -10.3510 -9.0733 -9.0733 -0.8871 -0.8871 -0.4897 -0.4897 0.4478 0.4478 0.9044 0.9044 1.6511 1.6511 4.0464 4.0464 4.0830 4.0830 4.6664 4.6664 5.3268 5.3268 5.3484 5.3484 5.9618 5.9618 9.3991 9.3991 11.4857 11.4857 12.7343 12.7343 14.0326 14.0326 k = 0.5350 0.1522-0.9636 ( 2542 PWs) bands (ev): -31.1365 -31.1365 -12.8320 -12.8320 -12.2887 -12.2887 -12.0666 -12.0666 -10.3474 -10.3474 -9.0768 -9.0768 -0.8862 -0.8862 -0.4896 -0.4896 0.4491 0.4491 0.9047 0.9047 1.6511 1.6511 4.0274 4.0274 4.0966 4.0966 4.6568 4.6568 5.3201 5.3201 5.3630 5.3630 5.9681 5.9681 9.3946 9.3946 11.4907 11.4907 12.7330 12.7330 14.0363 14.0363 k = 0.5525 0.1572-0.9540 ( 2544 PWs) bands (ev): -31.1365 -31.1365 -12.8326 -12.8326 -12.2890 -12.2890 -12.0667 -12.0667 -10.3415 -10.3415 -9.0825 -9.0825 -0.8846 -0.8846 -0.4893 -0.4893 0.4513 0.4513 0.9053 0.9053 1.6510 1.6510 4.0059 4.0059 4.1090 4.1090 4.6423 4.6423 5.3100 5.3100 5.3853 5.3853 5.9783 5.9783 9.3872 9.3872 11.4991 11.4991 12.7310 12.7310 14.0427 14.0427 k = 0.5700 0.1622-0.9444 ( 2541 PWs) bands (ev): -31.1365 -31.1365 -12.8334 -12.8334 -12.2894 -12.2894 -12.0668 -12.0668 -10.3333 -10.3333 -9.0905 -9.0905 -0.8825 -0.8825 -0.4889 -0.4889 0.4542 0.4542 0.9062 0.9062 1.6510 1.6510 3.9820 3.9820 4.1200 4.1200 4.6245 4.6245 5.2967 5.2967 5.4139 5.4139 5.9918 5.9918 9.3773 9.3773 11.5106 11.5106 12.7282 12.7282 14.0515 14.0515 k = 0.5875 0.1671-0.9347 ( 2538 PWs) bands (ev): -31.1365 -31.1365 -12.8344 -12.8344 -12.2899 -12.2899 -12.0669 -12.0669 -10.3228 -10.3228 -9.1006 -9.1006 -0.8799 -0.8799 -0.4884 -0.4884 0.4580 0.4580 0.9073 0.9073 1.6509 1.6509 3.9558 3.9558 4.1294 4.1294 4.6054 4.6054 5.2809 5.2809 5.4472 5.4472 6.0080 6.0080 9.3654 9.3654 11.5246 11.5246 12.7248 12.7248 14.0626 14.0626 k = 0.6049 0.1721-0.9251 ( 2538 PWs) bands (ev): -31.1366 -31.1366 -12.8356 -12.8356 -12.2905 -12.2905 -12.0671 -12.0671 -10.3101 -10.3101 -9.1129 -9.1129 -0.8768 -0.8768 -0.4879 -0.4879 0.4624 0.4624 0.9086 0.9086 1.6508 1.6508 3.9273 3.9273 4.1370 4.1370 4.5863 4.5863 5.2630 5.2630 5.4836 5.4836 6.0263 6.0263 9.3520 9.3520 11.5408 11.5408 12.7206 12.7206 14.0759 14.0759 k = 0.6224 0.1771-0.9155 ( 2543 PWs) bands (ev): -31.1366 -31.1366 -12.8370 -12.8370 -12.2912 -12.2912 -12.0673 -12.0673 -10.2953 -10.2953 -9.1273 -9.1273 -0.8733 -0.8733 -0.4872 -0.4872 0.4675 0.4675 0.9102 0.9102 1.6507 1.6507 3.8966 3.8966 4.1427 4.1427 4.5687 4.5687 5.2438 5.2438 5.5218 5.5218 6.0461 6.0461 9.3376 9.3376 11.5585 11.5585 12.7158 12.7158 14.0911 14.0911 k = 0.6399 0.1821-0.9059 ( 2547 PWs) bands (ev): -31.1367 -31.1367 -12.8385 -12.8385 -12.2920 -12.2920 -12.0675 -12.0675 -10.2783 -10.2783 -9.1438 -9.1438 -0.8695 -0.8695 -0.4864 -0.4864 0.4732 0.4732 0.9119 0.9119 1.6506 1.6506 3.8640 3.8640 4.1464 4.1464 4.5535 4.5535 5.2236 5.2236 5.5607 5.5607 6.0669 6.0669 9.3229 9.3229 11.5774 11.5774 12.7106 12.7106 14.1081 14.1081 k = 0.6574 0.1870-0.8963 ( 2543 PWs) bands (ev): -31.1367 -31.1367 -12.8401 -12.8401 -12.2928 -12.2928 -12.0677 -12.0677 -10.2594 -10.2594 -9.1622 -9.1622 -0.8654 -0.8654 -0.4856 -0.4856 0.4794 0.4794 0.9139 0.9139 1.6504 1.6504 3.8297 3.8297 4.1479 4.1479 4.5413 4.5413 5.2030 5.2030 5.5995 5.5995 6.0882 6.0882 9.3084 9.3084 11.5970 11.5970 12.7050 12.7050 14.1267 14.1267 k = 0.6574 0.1870-0.8963 ( 2543 PWs) bands (ev): -31.1367 -31.1367 -12.8401 -12.8401 -12.2928 -12.2928 -12.0677 -12.0677 -10.2594 -10.2594 -9.1622 -9.1622 -0.8654 -0.8654 -0.4856 -0.4856 0.4794 0.4794 0.9139 0.9139 1.6504 1.6504 3.8297 3.8297 4.1479 4.1479 4.5413 4.5413 5.2030 5.2030 5.5995 5.5995 6.0882 6.0882 9.3084 9.3084 11.5970 11.5970 12.7050 12.7050 14.1267 14.1267 k = 0.6541 0.1861-0.8758 ( 2538 PWs) bands (ev): -31.1370 -31.1370 -12.8368 -12.8368 -12.2942 -12.2942 -12.0683 -12.0683 -10.2566 -10.2566 -9.1658 -9.1658 -0.8636 -0.8636 -0.4850 -0.4850 0.4827 0.4827 0.9157 0.9157 1.6482 1.6482 3.7754 3.7754 4.1423 4.1423 4.5848 4.5848 5.1925 5.1925 5.5986 5.5986 6.1004 6.1004 9.3066 9.3066 11.6441 11.6441 12.7044 12.7044 14.1169 14.1169 k = 0.6509 0.1852-0.8553 ( 2532 PWs) bands (ev): -31.1373 -31.1373 -12.8326 -12.8326 -12.2961 -12.2961 -12.0690 -12.0690 -10.2530 -10.2530 -9.1704 -9.1704 -0.8617 -0.8617 -0.4842 -0.4842 0.4862 0.4862 0.9179 0.9179 1.6452 1.6452 3.7184 3.7184 4.1335 4.1335 4.6276 4.6276 5.1822 5.1822 5.5993 5.5993 6.1127 6.1127 9.3098 9.3098 11.6980 11.6980 12.7048 12.7048 14.1045 14.1045 k = 0.6476 0.1842-0.8348 ( 2528 PWs) bands (ev): -31.1377 -31.1377 -12.8276 -12.8276 -12.2983 -12.2983 -12.0698 -12.0698 -10.2485 -10.2485 -9.1760 -9.1760 -0.8597 -0.8597 -0.4832 -0.4832 0.4900 0.4900 0.9206 0.9206 1.6416 1.6416 3.6592 3.6592 4.1222 4.1222 4.6691 4.6691 5.1721 5.1721 5.6015 5.6015 6.1252 6.1252 9.3181 9.3181 11.7585 11.7585 12.7061 12.7061 14.0895 14.0895 k = 0.6443 0.1833-0.8144 ( 2528 PWs) bands (ev): -31.1381 -31.1381 -12.8217 -12.8217 -12.3010 -12.3010 -12.0706 -12.0706 -10.2432 -10.2432 -9.1826 -9.1826 -0.8575 -0.8575 -0.4821 -0.4821 0.4940 0.4940 0.9238 0.9238 1.6374 1.6374 3.5978 3.5978 4.1088 4.1088 4.7088 4.7088 5.1622 5.1622 5.6053 5.6053 6.1378 6.1378 9.3311 9.3311 11.8255 11.8255 12.7083 12.7083 14.0718 14.0718 k = 0.6410 0.1824-0.7939 ( 2530 PWs) bands (ev): -31.1387 -31.1387 -12.8151 -12.8151 -12.3040 -12.3040 -12.0715 -12.0715 -10.2371 -10.2371 -9.1902 -9.1902 -0.8553 -0.8553 -0.4808 -0.4808 0.4984 0.4984 0.9274 0.9274 1.6326 1.6326 3.5345 3.5345 4.0937 4.0937 4.7465 4.7465 5.1524 5.1524 5.6105 5.6105 6.1505 6.1505 9.3488 9.3488 11.8989 11.8989 12.7113 12.7113 14.0512 14.0512 k = 0.6377 0.1814-0.7734 ( 2529 PWs) bands (ev): -31.1392 -31.1392 -12.8076 -12.8076 -12.3074 -12.3074 -12.0723 -12.0723 -10.2302 -10.2302 -9.1989 -9.1989 -0.8530 -0.8530 -0.4793 -0.4793 0.5030 0.5030 0.9315 0.9315 1.6272 1.6272 3.4697 3.4697 4.0771 4.0771 4.7821 4.7821 5.1429 5.1429 5.6170 5.6170 6.1634 6.1634 9.3708 9.3708 11.9784 11.9784 12.7153 12.7153 14.0277 14.0277 k = 0.6345 0.1805-0.7529 ( 2531 PWs) bands (ev): -31.1399 -31.1399 -12.7994 -12.7994 -12.3112 -12.3112 -12.0731 -12.0731 -10.2227 -10.2227 -9.2085 -9.2085 -0.8507 -0.8507 -0.4777 -0.4777 0.5078 0.5078 0.9360 0.9360 1.6213 1.6213 3.4034 3.4034 4.0593 4.0593 4.8154 4.8154 5.1336 5.1336 5.6247 5.6247 6.1763 6.1763 9.3968 9.3968 12.0640 12.0640 12.7199 12.7199 14.0012 14.0012 k = 0.6312 0.1796-0.7325 ( 2529 PWs) bands (ev): -31.1406 -31.1406 -12.7906 -12.7906 -12.3152 -12.3152 -12.0737 -12.0737 -10.2144 -10.2144 -9.2191 -9.2191 -0.8482 -0.8482 -0.4760 -0.4760 0.5129 0.5129 0.9409 0.9409 1.6149 1.6149 3.3360 3.3360 4.0404 4.0404 4.8464 4.8464 5.1246 5.1246 5.6337 5.6337 6.1894 6.1894 9.4264 9.4264 12.1553 12.1553 12.7254 12.7254 13.9716 13.9716 k = 0.6279 0.1787-0.7120 ( 2531 PWs) bands (ev): -31.1414 -31.1414 -12.7811 -12.7811 -12.3196 -12.3196 -12.0743 -12.0743 -10.2055 -10.2055 -9.2307 -9.2307 -0.8458 -0.8458 -0.4741 -0.4741 0.5182 0.5182 0.9463 0.9463 1.6081 1.6081 3.2678 3.2678 4.0207 4.0207 4.8750 4.8750 5.1157 5.1157 5.6438 5.6438 6.2026 6.2026 9.4594 9.4594 12.2519 12.2519 12.7317 12.7317 13.9390 13.9390 k = 0.6246 0.1777-0.6915 ( 2525 PWs) bands (ev): -31.1422 -31.1422 -12.7710 -12.7710 -12.3241 -12.3241 -12.0746 -12.0746 -10.1960 -10.1960 -9.2432 -9.2432 -0.8432 -0.8432 -0.4722 -0.4722 0.5238 0.5238 0.9520 0.9520 1.6009 1.6009 3.1989 3.1989 4.0001 4.0001 4.9012 4.9012 5.1072 5.1072 5.6551 5.6551 6.2158 6.2158 9.4952 9.4952 12.3533 12.3533 12.7389 12.7389 13.9033 13.9033 k = 0.6213 0.1768-0.6710 ( 2527 PWs) bands (ev): -31.1431 -31.1431 -12.7605 -12.7605 -12.3288 -12.3288 -12.0748 -12.0748 -10.1859 -10.1859 -9.2567 -9.2567 -0.8407 -0.8407 -0.4702 -0.4702 0.5295 0.5295 0.9582 0.9582 1.5934 1.5934 3.1298 3.1298 3.9790 3.9790 4.9250 4.9250 5.0989 5.0989 5.6676 5.6676 6.2292 6.2292 9.5337 9.5337 12.4580 12.4580 12.7476 12.7476 13.8648 13.8648 k = 0.6181 0.1759-0.6506 ( 2528 PWs) bands (ev): -31.1440 -31.1440 -12.7496 -12.7496 -12.3336 -12.3336 -12.0749 -12.0749 -10.1754 -10.1754 -9.2710 -9.2710 -0.8381 -0.8381 -0.4682 -0.4682 0.5354 0.5354 0.9646 0.9646 1.5856 1.5856 3.0606 3.0606 3.9572 3.9572 4.9461 4.9461 5.0910 5.0910 5.6814 5.6814 6.2427 6.2427 9.5742 9.5742 12.5634 12.5634 12.7597 12.7597 13.8239 13.8239 k = 0.6148 0.1749-0.6301 ( 2530 PWs) bands (ev): -31.1449 -31.1449 -12.7384 -12.7384 -12.3384 -12.3384 -12.0747 -12.0747 -10.1643 -10.1643 -9.2862 -9.2862 -0.8356 -0.8356 -0.4662 -0.4662 0.5415 0.5415 0.9715 0.9715 1.5776 1.5776 2.9916 2.9916 3.9351 3.9351 4.9644 4.9644 5.0837 5.0837 5.6965 5.6965 6.2562 6.2562 9.6166 9.6166 12.6590 12.6590 12.7843 12.7843 13.7812 13.7812 k = 0.6115 0.1740-0.6096 ( 2534 PWs) bands (ev): -31.1459 -31.1459 -12.7271 -12.7271 -12.3430 -12.3430 -12.0742 -12.0742 -10.1530 -10.1530 -9.3022 -9.3022 -0.8330 -0.8330 -0.4641 -0.4641 0.5478 0.5478 0.9786 0.9786 1.5694 1.5694 2.9230 2.9230 3.9125 3.9125 4.9798 4.9798 5.0770 5.0770 5.7132 5.7132 6.2698 6.2698 9.6604 9.6604 12.7158 12.7158 12.8488 12.8488 13.7379 13.7379 k = 0.6082 0.1731-0.5891 ( 2536 PWs) bands (ev): -31.1470 -31.1470 -12.7157 -12.7157 -12.3473 -12.3473 -12.0736 -12.0736 -10.1412 -10.1412 -9.3191 -9.3191 -0.8305 -0.8305 -0.4621 -0.4621 0.5542 0.5542 0.9860 0.9860 1.5611 1.5611 2.8552 2.8552 3.8896 3.8896 4.9918 4.9918 5.0713 5.0713 5.7313 5.7313 6.2835 6.2835 9.7055 9.7055 12.7351 12.7351 12.9494 12.9494 13.6959 13.6959 k = 0.6049 0.1721-0.5687 ( 2538 PWs) bands (ev): -31.1481 -31.1481 -12.7045 -12.7045 -12.3512 -12.3512 -12.0727 -12.0727 -10.1292 -10.1292 -9.3366 -9.3366 -0.8281 -0.8281 -0.4601 -0.4601 0.5607 0.5607 0.9937 0.9937 1.5528 1.5528 2.7882 2.7882 3.8665 3.8665 5.0003 5.0003 5.0670 5.0670 5.7511 5.7511 6.2973 6.2973 9.7514 9.7514 12.7414 12.7414 13.0573 13.0573 13.6585 13.6585 k = 0.6017 0.1712-0.5482 ( 2545 PWs) bands (ev): -31.1492 -31.1492 -12.6936 -12.6936 -12.3544 -12.3544 -12.0715 -12.0715 -10.1170 -10.1170 -9.3549 -9.3549 -0.8258 -0.8258 -0.4582 -0.4582 0.5672 0.5672 1.0016 1.0016 1.5444 1.5444 2.7224 2.7224 3.8433 3.8433 5.0047 5.0047 5.0643 5.0643 5.7725 5.7725 6.3110 6.3110 9.7980 9.7980 12.7414 12.7414 13.1586 13.1586 13.6316 13.6316 k = 0.5984 0.1703-0.5277 ( 2545 PWs) bands (ev): -31.1503 -31.1503 -12.6831 -12.6831 -12.3569 -12.3569 -12.0701 -12.0701 -10.1045 -10.1045 -9.3738 -9.3738 -0.8235 -0.8235 -0.4564 -0.4564 0.5739 0.5739 1.0097 1.0097 1.5360 1.5360 2.6579 2.6579 3.8199 3.8199 5.0055 5.0055 5.0631 5.0631 5.7956 5.7956 6.3248 6.3248 9.8450 9.8450 12.7360 12.7360 13.2404 13.2404 13.6255 13.6255 k = 0.5951 0.1693-0.5072 ( 2541 PWs) bands (ev): -31.1515 -31.1515 -12.6734 -12.6734 -12.3583 -12.3583 -12.0685 -12.0685 -10.0920 -10.0920 -9.3934 -9.3934 -0.8214 -0.8214 -0.4547 -0.4547 0.5805 0.5805 1.0180 1.0180 1.5277 1.5277 2.5950 2.5950 3.7965 3.7965 5.0033 5.0033 5.0627 5.0627 5.8203 5.8203 6.3386 6.3386 9.8922 9.8922 12.7245 12.7245 13.2894 13.2894 13.6520 13.6520 k = 0.5918 0.1684-0.4868 ( 2547 PWs) bands (ev): -31.1526 -31.1526 -12.6646 -12.6646 -12.3585 -12.3585 -12.0666 -12.0666 -10.0793 -10.0793 -9.4135 -9.4135 -0.8194 -0.8194 -0.4531 -0.4531 0.5872 0.5872 1.0265 1.0265 1.5196 1.5196 2.5337 2.5337 3.7731 3.7731 4.9991 4.9991 5.0622 5.0622 5.8466 5.8466 6.3524 6.3524 9.9393 9.9393 12.7059 12.7059 13.3053 13.3053 13.7090 13.7090 k = 0.5886 0.1675-0.4663 ( 2541 PWs) bands (ev): -31.1538 -31.1538 -12.6569 -12.6569 -12.3574 -12.3574 -12.0645 -12.0645 -10.0667 -10.0667 -9.4340 -9.4340 -0.8175 -0.8175 -0.4516 -0.4516 0.5938 0.5938 1.0350 1.0350 1.5116 1.5116 2.4742 2.4742 3.7498 3.7498 4.9937 4.9937 5.0612 5.0612 5.8743 5.8743 6.3662 6.3662 9.9863 9.9863 12.6792 12.6792 13.3033 13.3033 13.7790 13.7790 k = 0.5853 0.1665-0.4458 ( 2533 PWs) bands (ev): -31.1550 -31.1550 -12.6505 -12.6505 -12.3547 -12.3547 -12.0621 -12.0621 -10.0540 -10.0540 -9.4550 -9.4550 -0.8158 -0.8158 -0.4503 -0.4503 0.6004 0.6004 1.0437 1.0437 1.5038 1.5038 2.4167 2.4167 3.7267 3.7267 4.9875 4.9875 5.0591 5.0591 5.9035 5.9035 6.3800 6.3800 10.0329 10.0329 12.6439 12.6439 13.2964 13.2964 13.8461 13.8461 k = 0.5820 0.1656-0.4253 ( 2531 PWs) bands (ev): -31.1562 -31.1562 -12.6455 -12.6455 -12.3504 -12.3504 -12.0595 -12.0595 -10.0415 -10.0415 -9.4764 -9.4764 -0.8142 -0.8142 -0.4491 -0.4491 0.6069 0.6069 1.0523 1.0523 1.4963 1.4963 2.3613 2.3613 3.7037 3.7037 4.9809 4.9809 5.0559 5.0559 5.9338 5.9338 6.3936 6.3936 10.0791 10.0791 12.6001 12.6001 13.2913 13.2913 13.9020 13.9020 k = 0.5787 0.1647-0.4048 ( 2531 PWs) bands (ev): -31.1573 -31.1573 -12.6420 -12.6420 -12.3445 -12.3445 -12.0566 -12.0566 -10.0290 -10.0290 -9.4981 -9.4981 -0.8129 -0.8129 -0.4481 -0.4481 0.6132 0.6132 1.0610 1.0610 1.4890 1.4890 2.3081 2.3081 3.6810 3.6810 4.9741 4.9741 5.0516 5.0516 5.9653 5.9653 6.4072 6.4072 10.1246 10.1246 12.5487 12.5487 13.2906 13.2906 13.9443 13.9443 k = 0.5754 0.1637-0.3844 ( 2529 PWs) bands (ev): -31.1585 -31.1585 -12.6398 -12.6398 -12.3371 -12.3371 -12.0535 -12.0535 -10.0168 -10.0168 -9.5200 -9.5200 -0.8117 -0.8117 -0.4472 -0.4472 0.6195 0.6195 1.0696 1.0696 1.4820 1.4820 2.2572 2.2572 3.6587 3.6587 4.9671 4.9671 5.0462 5.0462 5.9976 5.9976 6.4207 6.4207 10.1693 10.1693 12.4910 12.4910 13.2951 13.2951 13.9744 13.9744 k = 0.5722 0.1628-0.3639 ( 2527 PWs) bands (ev): -31.1597 -31.1597 -12.6390 -12.6390 -12.3283 -12.3283 -12.0502 -12.0502 -10.0047 -10.0047 -9.5420 -9.5420 -0.8107 -0.8107 -0.4466 -0.4466 0.6255 0.6255 1.0781 1.0781 1.4753 1.4753 2.2087 2.2087 3.6367 3.6367 4.9600 4.9600 5.0399 5.0399 6.0307 6.0307 6.4340 6.4340 10.2131 10.2131 12.4282 12.4282 13.3043 13.3043 13.9947 13.9947 k = 0.5689 0.1619-0.3434 ( 2537 PWs) bands (ev): -31.1608 -31.1608 -12.6395 -12.6395 -12.3183 -12.3183 -12.0466 -12.0466 -9.9929 -9.9929 -9.5641 -9.5641 -0.8100 -0.8100 -0.4461 -0.4461 0.6314 0.6314 1.0865 1.0865 1.4689 1.4689 2.1627 2.1627 3.6152 3.6152 4.9530 4.9530 5.0327 5.0327 6.0643 6.0643 6.4472 6.4472 10.2559 10.2559 12.3618 12.3618 13.3179 13.3179 14.0077 14.0077 k = 0.5656 0.1609-0.3229 ( 2537 PWs) bands (ev): -31.1620 -31.1620 -12.6410 -12.6410 -12.3073 -12.3073 -12.0427 -12.0427 -9.9813 -9.9813 -9.5862 -9.5862 -0.8094 -0.8094 -0.4457 -0.4457 0.6370 0.6370 1.0947 1.0947 1.4629 1.4629 2.1192 2.1192 3.5941 3.5941 4.9460 4.9460 5.0249 5.0249 6.0982 6.0982 6.4603 6.4603 10.2977 10.2977 12.2929 12.2929 13.3351 13.3351 14.0154 14.0154 k = 0.5623 0.1600-0.3025 ( 2535 PWs) bands (ev): -31.1631 -31.1631 -12.6433 -12.6433 -12.2955 -12.2955 -12.0385 -12.0385 -9.9701 -9.9701 -9.6081 -9.6081 -0.8090 -0.8090 -0.4455 -0.4455 0.6424 0.6424 1.1027 1.1027 1.4572 1.4572 2.0782 2.0782 3.5737 3.5737 4.9391 4.9391 5.0166 5.0166 6.1322 6.1322 6.4731 6.4731 10.3382 10.3382 12.2227 12.2227 13.3554 13.3554 14.0189 14.0189 k = 0.5590 0.1591-0.2820 ( 2531 PWs) bands (ev): -31.1641 -31.1641 -12.6463 -12.6463 -12.2832 -12.2832 -12.0340 -12.0340 -9.9593 -9.9593 -9.6299 -9.6299 -0.8088 -0.8088 -0.4455 -0.4455 0.6476 0.6476 1.1105 1.1105 1.4518 1.4518 2.0398 2.0398 3.5538 3.5538 4.9322 4.9322 5.0078 5.0078 6.1662 6.1662 6.4858 6.4858 10.3774 10.3774 12.1519 12.1519 13.3783 13.3783 14.0185 14.0185 k = 0.5558 0.1581-0.2615 ( 2529 PWs) bands (ev): -31.1652 -31.1652 -12.6499 -12.6499 -12.2708 -12.2708 -12.0293 -12.0293 -9.9488 -9.9488 -9.6513 -9.6513 -0.8088 -0.8088 -0.4456 -0.4456 0.6524 0.6524 1.1181 1.1181 1.4468 1.4468 2.0040 2.0040 3.5347 3.5347 4.9255 4.9255 4.9989 4.9989 6.1998 6.1998 6.4983 6.4983 10.4152 10.4152 12.0813 12.0813 13.4032 13.4032 14.0128 14.0128 k = 0.5525 0.1572-0.2410 ( 2537 PWs) bands (ev): -31.1662 -31.1662 -12.6538 -12.6538 -12.2583 -12.2583 -12.0242 -12.0242 -9.9388 -9.9388 -9.6724 -9.6724 -0.8090 -0.8090 -0.4459 -0.4459 0.6570 0.6570 1.1253 1.1253 1.4421 1.4421 1.9707 1.9707 3.5162 3.5162 4.9189 4.9189 4.9898 4.9898 6.2329 6.2329 6.5105 6.5105 10.4515 10.4515 12.0116 12.0116 13.4299 13.4299 13.9992 13.9992 k = 0.5492 0.1563-0.2206 ( 2535 PWs) bands (ev): -31.1672 -31.1672 -12.6580 -12.6580 -12.2461 -12.2461 -12.0188 -12.0188 -9.9293 -9.9293 -9.6929 -9.6929 -0.8093 -0.8093 -0.4462 -0.4462 0.6612 0.6612 1.1322 1.1322 1.4377 1.4377 1.9400 1.9400 3.4986 3.4986 4.9125 4.9125 4.9807 4.9807 6.2652 6.2652 6.5225 6.5225 10.4861 10.4861 11.9434 11.9434 13.4579 13.4579 13.9789 13.9789 k = 0.5459 0.1553-0.2001 ( 2541 PWs) bands (ev): -31.1681 -31.1681 -12.6624 -12.6624 -12.2342 -12.2342 -12.0132 -12.0132 -9.9202 -9.9202 -9.7128 -9.7128 -0.8098 -0.8098 -0.4466 -0.4466 0.6652 0.6652 1.1387 1.1387 1.4336 1.4336 1.9119 1.9119 3.4818 3.4818 4.9062 4.9062 4.9718 4.9718 6.2964 6.2964 6.5343 6.5343 10.5190 10.5190 11.8772 11.8772 13.4868 13.4868 13.9560 13.9560 k = 0.5426 0.1544-0.1796 ( 2551 PWs) bands (ev): -31.1690 -31.1690 -12.6668 -12.6668 -12.2230 -12.2230 -12.0073 -12.0073 -9.9117 -9.9117 -9.7320 -9.7320 -0.8104 -0.8104 -0.4471 -0.4471 0.6688 0.6688 1.1449 1.1449 1.4298 1.4298 1.8862 1.8862 3.4660 3.4660 4.9000 4.9000 4.9632 4.9632 6.3263 6.3263 6.5460 6.5460 10.5502 10.5502 11.8134 11.8134 13.5163 13.5163 13.9330 13.9330 k = 0.5394 0.1535-0.1591 ( 2555 PWs) bands (ev): -31.1698 -31.1698 -12.6711 -12.6711 -12.2124 -12.2124 -12.0012 -12.0012 -9.9037 -9.9037 -9.7503 -9.7503 -0.8111 -0.8111 -0.4477 -0.4477 0.6721 0.6721 1.1506 1.1506 1.4263 1.4263 1.8629 1.8629 3.4510 3.4510 4.8941 4.8941 4.9549 4.9549 6.3546 6.3546 6.5574 6.5574 10.5794 10.5794 11.7525 11.7525 13.5460 13.5460 13.9107 13.9107 k = 0.5361 0.1525-0.1387 ( 2552 PWs) bands (ev): -31.1706 -31.1706 -12.6753 -12.6753 -12.2025 -12.2025 -11.9949 -11.9949 -9.8962 -9.8962 -9.7677 -9.7677 -0.8118 -0.8118 -0.4483 -0.4483 0.6751 0.6751 1.1559 1.1559 1.4230 1.4230 1.8420 1.8420 3.4371 3.4371 4.8884 4.8884 4.9471 4.9471 6.3811 6.3811 6.5687 6.5687 10.6068 10.6068 11.6950 11.6950 13.5755 13.5755 13.8897 13.8897 k = 0.5328 0.1516-0.1182 ( 2552 PWs) bands (ev): -31.1713 -31.1713 -12.6793 -12.6793 -12.1936 -12.1936 -11.9885 -11.9885 -9.8894 -9.8894 -9.7841 -9.7841 -0.8126 -0.8126 -0.4489 -0.4489 0.6777 0.6777 1.1608 1.1608 1.4201 1.4201 1.8234 1.8234 3.4242 3.4242 4.8829 4.8829 4.9399 4.9399 6.4056 6.4056 6.5798 6.5798 10.6320 10.6320 11.6410 11.6410 13.6044 13.6044 13.8701 13.8701 k = 0.5295 0.1507-0.0977 ( 2553 PWs) bands (ev): -31.1719 -31.1719 -12.6830 -12.6830 -12.1856 -12.1856 -11.9823 -11.9823 -9.8831 -9.8831 -9.7993 -9.7993 -0.8134 -0.8134 -0.4495 -0.4495 0.6801 0.6801 1.1652 1.1652 1.4174 1.4174 1.8070 1.8070 3.4124 3.4124 4.8778 4.8778 4.9333 4.9333 6.4277 6.4277 6.5906 6.5906 10.6551 10.6551 11.5910 11.5910 13.6323 13.6323 13.8520 13.8520 k = 0.5262 0.1497-0.0772 ( 2549 PWs) bands (ev): -31.1725 -31.1725 -12.6865 -12.6865 -12.1784 -12.1784 -11.9761 -11.9761 -9.8775 -9.8775 -9.8131 -9.8131 -0.8143 -0.8143 -0.4501 -0.4501 0.6822 0.6822 1.1692 1.1692 1.4149 1.4149 1.7926 1.7926 3.4018 3.4018 4.8729 4.8729 4.9273 4.9273 6.4474 6.4474 6.6012 6.6012 10.6761 10.6761 11.5454 11.5454 13.6588 13.6588 13.8357 13.8357 k = 0.5230 0.1488-0.0568 ( 2552 PWs) bands (ev): -31.1731 -31.1731 -12.6896 -12.6896 -12.1722 -12.1722 -11.9703 -11.9703 -9.8725 -9.8725 -9.8256 -9.8256 -0.8151 -0.8151 -0.4507 -0.4507 0.6840 0.6840 1.1727 1.1727 1.4127 1.4127 1.7803 1.7803 3.3923 3.3923 4.8685 4.8685 4.9220 4.9220 6.4646 6.4646 6.6114 6.6114 10.6947 10.6947 11.5044 11.5044 13.6833 13.6833 13.8211 13.8211 k = 0.5197 0.1479-0.0363 ( 2551 PWs) bands (ev): -31.1735 -31.1735 -12.6924 -12.6924 -12.1669 -12.1669 -11.9649 -11.9649 -9.8682 -9.8682 -9.8366 -9.8366 -0.8158 -0.8158 -0.4512 -0.4512 0.6855 0.6855 1.1758 1.1758 1.4108 1.4108 1.7698 1.7698 3.3840 3.3840 4.8644 4.8644 4.9174 4.9174 6.4792 6.4792 6.6210 6.6210 10.7110 10.7110 11.4682 11.4682 13.7055 13.7055 13.8085 13.8085 k = 0.5164 0.1469-0.0158 ( 2555 PWs) bands (ev): -31.1739 -31.1739 -12.6948 -12.6948 -12.1626 -12.1626 -11.9602 -11.9602 -9.8647 -9.8647 -9.8459 -9.8459 -0.8165 -0.8165 -0.4516 -0.4516 0.6867 0.6867 1.1784 1.1784 1.4092 1.4092 1.7611 1.7611 3.3769 3.3769 4.8609 4.8609 4.9136 4.9136 6.4912 6.4912 6.6297 6.6297 10.7249 10.7249 11.4372 11.4372 13.7248 13.7248 13.7977 13.7977 k = 0.5131 0.1460 0.0047 ( 2557 PWs) bands (ev): -31.1742 -31.1742 -12.6968 -12.6968 -12.1590 -12.1590 -11.9560 -11.9560 -9.8624 -9.8624 -9.8531 -9.8531 -0.8170 -0.8170 -0.4520 -0.4520 0.6878 0.6878 1.1805 1.1805 1.4078 1.4078 1.7541 1.7541 3.3711 3.3711 4.8579 4.8579 4.9104 4.9104 6.5008 6.5008 6.6374 6.6374 10.7364 10.7364 11.4115 11.4115 13.7409 13.7409 13.7891 13.7891 k = 0.5098 0.1451 0.0251 ( 2565 PWs) bands (ev): -31.1745 -31.1745 -12.6983 -12.6983 -12.1563 -12.1563 -11.9528 -11.9528 -9.8631 -9.8631 -9.8563 -9.8563 -0.8175 -0.8175 -0.4524 -0.4524 0.6885 0.6885 1.1821 1.1821 1.4068 1.4068 1.7488 1.7488 3.3665 3.3665 4.8556 4.8556 4.9080 4.9080 6.5082 6.5082 6.6436 6.6436 10.7452 10.7452 11.3914 11.3914 13.7532 13.7532 13.7827 13.7827 k = 0.5066 0.1441 0.0456 ( 2567 PWs) bands (ev): -31.1747 -31.1747 -12.6995 -12.6995 -12.1544 -12.1544 -11.9503 -11.9503 -9.8664 -9.8664 -9.8558 -9.8558 -0.8179 -0.8179 -0.4526 -0.4526 0.6891 0.6891 1.1833 1.1833 1.4060 1.4060 1.7450 1.7450 3.3633 3.3633 4.8538 4.8538 4.9062 4.9062 6.5133 6.5133 6.6483 6.6483 10.7517 10.7517 11.3769 11.3769 13.7611 13.7611 13.7792 13.7792 k = 0.5033 0.1432 0.0661 ( 2568 PWs) bands (ev): -31.1748 -31.1748 -12.7001 -12.7001 -12.1533 -12.1533 -11.9488 -11.9488 -9.8688 -9.8688 -9.8551 -9.8551 -0.8181 -0.8181 -0.4527 -0.4527 0.6894 0.6894 1.1840 1.1840 1.4055 1.4055 1.7428 1.7428 3.3613 3.3613 4.8528 4.8528 4.9052 4.9052 6.5163 6.5163 6.6512 6.6512 10.7555 10.7555 11.3681 11.3681 13.7644 13.7644 13.7786 13.7786 k = 0.5000 0.1423 0.0866 ( 2558 PWs) bands (ev): -31.1748 -31.1748 -12.7003 -12.7003 -12.1528 -12.1528 -11.9483 -11.9483 -9.8696 -9.8696 -9.8548 -9.8548 -0.8181 -0.8181 -0.4528 -0.4528 0.6895 0.6895 1.1842 1.1842 1.4054 1.4054 1.7421 1.7421 3.3607 3.3607 4.8524 4.8524 4.9049 4.9049 6.5173 6.5173 6.6522 6.6522 10.7568 10.7568 11.3652 11.3652 13.7651 13.7651 13.7790 13.7790 k = 0.5000-0.8075-0.4914 ( 2520 PWs) bands (ev): -31.1364 -31.1364 -12.8817 -12.8817 -12.2968 -12.2968 -12.0674 -12.0674 -9.7422 -9.7422 -9.6677 -9.6677 -0.8205 -0.8205 -0.4741 -0.4741 0.5510 0.5510 0.9401 0.9401 1.6605 1.6605 3.5634 3.5634 4.1710 4.1710 4.3783 4.3783 5.0320 5.0320 5.9768 5.9768 6.2584 6.2584 9.2082 9.2082 11.5600 11.5600 12.6264 12.6264 14.5456 14.5456 k = 0.5175-0.7996-0.4866 ( 2524 PWs) bands (ev): -31.1364 -31.1364 -12.8816 -12.8816 -12.2968 -12.2968 -12.0674 -12.0674 -9.7572 -9.7572 -9.6527 -9.6527 -0.8207 -0.8207 -0.4741 -0.4741 0.5507 0.5507 0.9400 0.9400 1.6605 1.6605 3.5649 3.5649 4.1710 4.1710 4.3783 4.3783 5.0326 5.0326 5.9756 5.9756 6.2578 6.2578 9.2084 9.2084 11.5602 11.5602 12.6267 12.6267 14.5432 14.5432 k = 0.5350-0.7917-0.4818 ( 2522 PWs) bands (ev): -31.1364 -31.1364 -12.8810 -12.8810 -12.2968 -12.2968 -12.0674 -12.0674 -9.7871 -9.7871 -9.6229 -9.6229 -0.8213 -0.8213 -0.4743 -0.4743 0.5497 0.5497 0.9396 0.9396 1.6604 1.6604 3.5695 3.5695 4.1708 4.1708 4.3781 4.3781 5.0344 5.0344 5.9723 5.9723 6.2560 6.2560 9.2090 9.2090 11.5608 11.5608 12.6279 12.6279 14.5362 14.5362 k = 0.5525-0.7838-0.4770 ( 2528 PWs) bands (ev): -31.1364 -31.1364 -12.8801 -12.8801 -12.2967 -12.2967 -12.0674 -12.0674 -9.8208 -9.8208 -9.5896 -9.5896 -0.8222 -0.8222 -0.4746 -0.4746 0.5482 0.5482 0.9389 0.9389 1.6601 1.6601 3.5769 3.5769 4.1705 4.1705 4.3778 4.3778 5.0375 5.0375 5.9667 5.9667 6.2530 6.2530 9.2101 9.2101 11.5617 11.5617 12.6298 12.6298 14.5248 14.5248 k = 0.5700-0.7759-0.4722 ( 2526 PWs) bands (ev): -31.1365 -31.1365 -12.8789 -12.8789 -12.2966 -12.2966 -12.0674 -12.0674 -9.8554 -9.8554 -9.5553 -9.5553 -0.8235 -0.8235 -0.4750 -0.4750 0.5460 0.5460 0.9379 0.9379 1.6598 1.6598 3.5872 3.5872 4.1700 4.1700 4.3777 4.3777 5.0417 5.0417 5.9588 5.9588 6.2487 6.2487 9.2117 9.2117 11.5630 11.5630 12.6324 12.6324 14.5092 14.5092 k = 0.5875-0.7680-0.4674 ( 2529 PWs) bands (ev): -31.1365 -31.1365 -12.8773 -12.8773 -12.2964 -12.2964 -12.0674 -12.0674 -9.8901 -9.8901 -9.5209 -9.5209 -0.8251 -0.8251 -0.4755 -0.4755 0.5432 0.5432 0.9367 0.9367 1.6594 1.6594 3.6001 3.6001 4.1694 4.1694 4.3778 4.3778 5.0471 5.0471 5.9486 5.9486 6.2433 6.2433 9.2139 9.2139 11.5647 11.5647 12.6357 12.6357 14.4898 14.4898 k = 0.6049-0.7601-0.4626 ( 2531 PWs) bands (ev): -31.1365 -31.1365 -12.8755 -12.8755 -12.2963 -12.2963 -12.0674 -12.0674 -9.9247 -9.9247 -9.4869 -9.4869 -0.8271 -0.8271 -0.4761 -0.4761 0.5399 0.5399 0.9353 0.9353 1.6589 1.6589 3.6153 3.6153 4.1686 4.1686 4.3784 4.3784 5.0537 5.0537 5.9360 5.9360 6.2368 6.2368 9.2166 9.2166 11.5667 11.5667 12.6395 12.6395 14.4671 14.4671 k = 0.6224-0.7522-0.4578 ( 2535 PWs) bands (ev): -31.1365 -31.1365 -12.8733 -12.8733 -12.2961 -12.2961 -12.0675 -12.0675 -9.9587 -9.9587 -9.4535 -9.4535 -0.8294 -0.8294 -0.4767 -0.4767 0.5361 0.5361 0.9337 0.9337 1.6584 1.6584 3.6325 3.6325 4.1677 4.1677 4.3797 4.3797 5.0614 5.0614 5.9210 5.9210 6.2291 6.2291 9.2199 9.2199 11.5690 11.5690 12.6439 12.6439 14.4417 14.4417 k = 0.6399-0.7443-0.4529 ( 2535 PWs) bands (ev): -31.1365 -31.1365 -12.8709 -12.8709 -12.2958 -12.2958 -12.0675 -12.0675 -9.9920 -9.9920 -9.4209 -9.4209 -0.8319 -0.8319 -0.4774 -0.4774 0.5318 0.5318 0.9319 0.9319 1.6578 1.6578 3.6514 3.6514 4.1666 4.1666 4.3821 4.3821 5.0701 5.0701 5.9035 5.9035 6.2204 6.2204 9.2240 9.2240 11.5717 11.5717 12.6488 12.6488 14.4141 14.4141 k = 0.6574-0.7364-0.4481 ( 2539 PWs) bands (ev): -31.1365 -31.1365 -12.8683 -12.8683 -12.2956 -12.2956 -12.0675 -12.0675 -10.0245 -10.0245 -9.3891 -9.3891 -0.8347 -0.8347 -0.4782 -0.4782 0.5272 0.5272 0.9301 0.9301 1.6572 1.6572 3.6715 3.6715 4.1654 4.1654 4.3859 4.3859 5.0799 5.0799 5.8835 5.8835 6.2106 6.2106 9.2288 9.2288 11.5744 11.5744 12.6540 12.6540 14.3849 14.3849 k = 0.6749-0.7285-0.4433 ( 2539 PWs) bands (ev): -31.1365 -31.1365 -12.8654 -12.8654 -12.2953 -12.2953 -12.0675 -12.0675 -10.0560 -10.0560 -9.3584 -9.3584 -0.8378 -0.8378 -0.4791 -0.4791 0.5223 0.5223 0.9282 0.9282 1.6565 1.6565 3.6924 3.6924 4.1639 4.1639 4.3916 4.3916 5.0907 5.0907 5.8610 5.8610 6.1999 6.1999 9.2344 9.2344 11.5774 11.5774 12.6594 12.6594 14.3547 14.3547 k = 0.6924-0.7206-0.4385 ( 2537 PWs) bands (ev): -31.1366 -31.1366 -12.8624 -12.8624 -12.2950 -12.2950 -12.0675 -12.0675 -10.0865 -10.0865 -9.3288 -9.3288 -0.8410 -0.8410 -0.4799 -0.4799 0.5171 0.5171 0.9262 0.9262 1.6558 1.6558 3.7135 3.7135 4.1623 4.1623 4.3995 4.3995 5.1024 5.1024 5.8360 5.8360 6.1882 6.1882 9.2408 9.2408 11.5805 11.5805 12.6651 12.6651 14.3240 14.3240 k = 0.7099-0.7127-0.4337 ( 2531 PWs) bands (ev): -31.1366 -31.1366 -12.8593 -12.8593 -12.2946 -12.2946 -12.0675 -12.0675 -10.1157 -10.1157 -9.3004 -9.3004 -0.8443 -0.8443 -0.4808 -0.4808 0.5117 0.5117 0.9243 0.9243 1.6550 1.6550 3.7344 3.7344 4.1605 4.1605 4.4101 4.4101 5.1149 5.1149 5.8085 5.8085 6.1757 6.1757 9.2481 9.2481 11.5836 11.5836 12.6710 12.6710 14.2932 14.2932 k = 0.7274-0.7048-0.4289 ( 2533 PWs) bands (ev): -31.1366 -31.1366 -12.8561 -12.8561 -12.2943 -12.2943 -12.0675 -12.0675 -10.1436 -10.1436 -9.2734 -9.2734 -0.8478 -0.8478 -0.4817 -0.4817 0.5062 0.5062 0.9223 0.9223 1.6543 1.6543 3.7544 3.7544 4.1586 4.1586 4.4237 4.4237 5.1283 5.1283 5.7787 5.7787 6.1625 6.1625 9.2562 9.2562 11.5866 11.5866 12.6768 12.6768 14.2628 14.2628 k = 0.7449-0.6969-0.4241 ( 2537 PWs) bands (ev): -31.1366 -31.1366 -12.8528 -12.8528 -12.2940 -12.2940 -12.0676 -12.0676 -10.1700 -10.1700 -9.2479 -9.2479 -0.8514 -0.8514 -0.4825 -0.4825 0.5007 0.5007 0.9205 0.9205 1.6535 1.6535 3.7732 3.7732 4.1565 4.1565 4.4406 4.4406 5.1423 5.1423 5.7465 5.7465 6.1486 6.1486 9.2652 9.2652 11.5894 11.5894 12.6827 12.6827 14.2331 14.2331 k = 0.7624-0.6890-0.4193 ( 2537 PWs) bands (ev): -31.1367 -31.1367 -12.8495 -12.8495 -12.2937 -12.2937 -12.0676 -12.0676 -10.1949 -10.1949 -9.2240 -9.2240 -0.8549 -0.8549 -0.4834 -0.4834 0.4952 0.4952 0.9187 0.9187 1.6527 1.6527 3.7903 3.7903 4.1544 4.1544 4.4609 4.4609 5.1568 5.1568 5.7123 5.7123 6.1341 6.1341 9.2749 9.2749 11.5920 11.5920 12.6885 12.6885 14.2043 14.2043 k = 0.7799-0.6811-0.4145 ( 2539 PWs) bands (ev): -31.1367 -31.1367 -12.8463 -12.8463 -12.2933 -12.2933 -12.0676 -12.0676 -10.2182 -10.2182 -9.2016 -9.2016 -0.8585 -0.8585 -0.4842 -0.4842 0.4897 0.4897 0.9169 0.9169 1.6519 1.6519 3.8055 3.8055 4.1522 4.1522 4.4846 4.4846 5.1719 5.1719 5.6761 5.6761 6.1191 6.1191 9.2854 9.2854 11.5942 11.5942 12.6941 12.6941 14.1769 14.1769 k = 0.7974-0.6732-0.4097 ( 2542 PWs) bands (ev): -31.1367 -31.1367 -12.8431 -12.8431 -12.2931 -12.2931 -12.0677 -12.0677 -10.2397 -10.2397 -9.1810 -9.1810 -0.8620 -0.8620 -0.4849 -0.4849 0.4845 0.4845 0.9154 0.9154 1.6512 1.6512 3.8187 3.8187 4.1500 4.1500 4.5116 4.5116 5.1873 5.1873 5.6384 5.6384 6.1037 6.1037 9.2966 9.2966 11.5959 11.5959 12.6996 12.6996 14.1510 14.1510 k = 0.8148-0.6653-0.4048 ( 2543 PWs) bands (ev): -31.1367 -31.1367 -12.8401 -12.8401 -12.2928 -12.2928 -12.0677 -12.0677 -10.2594 -10.2594 -9.1622 -9.1622 -0.8654 -0.8654 -0.4856 -0.4856 0.4794 0.4794 0.9139 0.9139 1.6504 1.6504 3.8297 3.8297 4.1479 4.1479 4.5413 4.5413 5.2030 5.2030 5.5995 5.5995 6.0882 6.0882 9.3084 9.3084 11.5970 11.5970 12.7050 12.7050 14.1267 14.1267 Writing output data file CaHgO2.save init_run : 0.39s CPU 0.68s WALL ( 1 calls) electrons : 332.61s CPU 337.37s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.04s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 332.61s CPU 337.36s 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 : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 340 calls) cegterg : 318.78s CPU 322.20s WALL ( 1089 calls) Called by sum_band: Called by *egterg: h_psi : 207.99s CPU 210.75s WALL ( 19867 calls) s_psi : 6.37s CPU 6.46s WALL ( 19867 calls) g_psi : 0.19s CPU 0.23s WALL ( 18438 calls) cdiaghg : 98.89s CPU 99.54s WALL ( 18778 calls) cegterg:over : 6.07s CPU 6.25s WALL ( 18438 calls) cegterg:upda : 5.39s CPU 5.33s WALL ( 18438 calls) cegterg:last : 2.40s CPU 2.48s WALL ( 2461 calls) cdiaghg:chol : 5.25s CPU 5.22s WALL ( 18778 calls) cdiaghg:inve : 2.97s CPU 3.13s WALL ( 18778 calls) cdiaghg:para : 5.64s CPU 5.55s WALL ( 37556 calls) Called by h_psi: h_psi:vloc : 197.63s CPU 200.28s WALL ( 19867 calls) h_psi:vnl : 10.15s CPU 10.24s WALL ( 19867 calls) add_vuspsi : 5.16s CPU 5.23s WALL ( 19867 calls) General routines calbec : 4.93s CPU 4.97s WALL ( 19867 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 178.93s CPU 181.80s WALL ( 1226700 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.21s WALL ( 680 calls) Parallel routines fft_scatter : 43.07s CPU 44.04s WALL ( 1226723 calls) PWSCF : 5m44.89s CPU 6m24.00s WALL This run was terminated on: 16:55:37 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=