Program PWSCF v.5.1.1 starts on 11Oct2015 at 16:11:30 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaTiO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 19 6 2104 451 76 Max 55 20 7 2109 467 80 Sum 2617 949 293 101085 21999 3731 bravais-lattice index = 14 lattice parameter (alat) = 7.5667 a.u. unit-cell volume = 433.2184 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.566652 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.002583 celldm(5)= 0.002583 celldm(6)= 0.002583 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.002583 0.999997 0.000000 ) a(3) = ( 0.002583 0.002576 0.999993 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.002583 -0.002576 ) b(2) = ( 0.000000 1.000003 -0.002576 ) b(3) = ( 0.000000 0.000000 1.000007 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 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 1177 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 Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0125000 -0.0000323 -0.0000322), wk = 0.0030488 k( 3) = ( 0.0250000 -0.0000646 -0.0000644), wk = 0.0030488 k( 4) = ( 0.0375000 -0.0000969 -0.0000966), wk = 0.0030488 k( 5) = ( 0.0500000 -0.0001292 -0.0001288), wk = 0.0030488 k( 6) = ( 0.0625000 -0.0001614 -0.0001610), wk = 0.0030488 k( 7) = ( 0.0750000 -0.0001937 -0.0001932), wk = 0.0030488 k( 8) = ( 0.0875000 -0.0002260 -0.0002254), wk = 0.0030488 k( 9) = ( 0.1000000 -0.0002583 -0.0002576), wk = 0.0030488 k( 10) = ( 0.1125000 -0.0002906 -0.0002899), wk = 0.0030488 k( 11) = ( 0.1250000 -0.0003229 -0.0003221), wk = 0.0030488 k( 12) = ( 0.1375000 -0.0003552 -0.0003543), wk = 0.0030488 k( 13) = ( 0.1500000 -0.0003875 -0.0003865), wk = 0.0030488 k( 14) = ( 0.1625000 -0.0004198 -0.0004187), wk = 0.0030488 k( 15) = ( 0.1750000 -0.0004520 -0.0004509), wk = 0.0030488 k( 16) = ( 0.1875000 -0.0004843 -0.0004831), wk = 0.0030488 k( 17) = ( 0.2000000 -0.0005166 -0.0005153), wk = 0.0030488 k( 18) = ( 0.2125000 -0.0005489 -0.0005475), wk = 0.0030488 k( 19) = ( 0.2250000 -0.0005812 -0.0005797), wk = 0.0030488 k( 20) = ( 0.2375000 -0.0006135 -0.0006119), wk = 0.0030488 k( 21) = ( 0.2500000 -0.0006458 -0.0006441), wk = 0.0030488 k( 22) = ( 0.2625000 -0.0006781 -0.0006763), wk = 0.0030488 k( 23) = ( 0.2750000 -0.0007104 -0.0007085), wk = 0.0030488 k( 24) = ( 0.2875000 -0.0007426 -0.0007407), wk = 0.0030488 k( 25) = ( 0.3000000 -0.0007749 -0.0007729), wk = 0.0030488 k( 26) = ( 0.3125000 -0.0008072 -0.0008051), wk = 0.0030488 k( 27) = ( 0.3250000 -0.0008395 -0.0008373), wk = 0.0030488 k( 28) = ( 0.3375000 -0.0008718 -0.0008696), wk = 0.0030488 k( 29) = ( 0.3500000 -0.0009041 -0.0009018), wk = 0.0030488 k( 30) = ( 0.3625000 -0.0009364 -0.0009340), wk = 0.0030488 k( 31) = ( 0.3750000 -0.0009687 -0.0009662), wk = 0.0030488 k( 32) = ( 0.3875000 -0.0010009 -0.0009984), wk = 0.0030488 k( 33) = ( 0.4000000 -0.0010332 -0.0010306), wk = 0.0030488 k( 34) = ( 0.4125000 -0.0010655 -0.0010628), wk = 0.0030488 k( 35) = ( 0.4250000 -0.0010978 -0.0010950), wk = 0.0030488 k( 36) = ( 0.4375000 -0.0011301 -0.0011272), wk = 0.0030488 k( 37) = ( 0.4500000 -0.0011624 -0.0011594), wk = 0.0030488 k( 38) = ( 0.4625000 -0.0011947 -0.0011916), wk = 0.0030488 k( 39) = ( 0.4750000 -0.0012270 -0.0012238), wk = 0.0030488 k( 40) = ( 0.4875000 -0.0012593 -0.0012560), wk = 0.0030488 k( 41) = ( 0.5000000 -0.0012915 -0.0012882), wk = 0.0030488 k( 42) = ( 0.5000000 -0.0012915 -0.0012882), wk = 0.0030488 k( 43) = ( 0.5000000 0.0075912 -0.0101938), wk = 0.0030488 k( 44) = ( 0.5000000 0.0164739 -0.0190995), wk = 0.0030488 k( 45) = ( 0.5000000 0.0253566 -0.0280051), wk = 0.0030488 k( 46) = ( 0.5000000 0.0342393 -0.0369107), wk = 0.0030488 k( 47) = ( 0.5000000 0.0431220 -0.0458164), wk = 0.0030488 k( 48) = ( 0.5000000 0.0520047 -0.0547220), wk = 0.0030488 k( 49) = ( 0.5000000 0.0608874 -0.0636276), wk = 0.0030488 k( 50) = ( 0.5000000 0.0697702 -0.0725332), wk = 0.0030488 k( 51) = ( 0.5000000 0.0786529 -0.0814389), wk = 0.0030488 k( 52) = ( 0.5000000 0.0875356 -0.0903445), wk = 0.0030488 k( 53) = ( 0.5000000 0.0964183 -0.0992501), wk = 0.0030488 k( 54) = ( 0.5000000 0.1053010 -0.1081557), wk = 0.0030488 k( 55) = ( 0.5000000 0.1141837 -0.1170614), wk = 0.0030488 k( 56) = ( 0.5000000 0.1230664 -0.1259670), wk = 0.0030488 k( 57) = ( 0.5000000 0.1319491 -0.1348726), wk = 0.0030488 k( 58) = ( 0.5000000 0.1408318 -0.1437783), wk = 0.0030488 k( 59) = ( 0.5000000 0.1497145 -0.1526839), wk = 0.0030488 k( 60) = ( 0.5000000 0.1585973 -0.1615895), wk = 0.0030488 k( 61) = ( 0.5000000 0.1674800 -0.1704951), wk = 0.0030488 k( 62) = ( 0.5000000 0.1763627 -0.1794008), wk = 0.0030488 k( 63) = ( 0.5000000 0.1852454 -0.1883064), wk = 0.0030488 k( 64) = ( 0.5000000 0.1941281 -0.1972120), wk = 0.0030488 k( 65) = ( 0.5000000 0.2030108 -0.2061176), wk = 0.0030488 k( 66) = ( 0.5000000 0.2118935 -0.2150233), wk = 0.0030488 k( 67) = ( 0.5000000 0.2207762 -0.2239289), wk = 0.0030488 k( 68) = ( 0.5000000 0.2296590 -0.2328345), wk = 0.0030488 k( 69) = ( 0.5000000 0.2385417 -0.2417401), wk = 0.0030488 k( 70) = ( 0.5000000 0.2474244 -0.2506458), wk = 0.0030488 k( 71) = ( 0.5000000 0.2563071 -0.2595514), wk = 0.0030488 k( 72) = ( 0.5000000 0.2651898 -0.2684570), wk = 0.0030488 k( 73) = ( 0.5000000 0.2740725 -0.2773627), wk = 0.0030488 k( 74) = ( 0.5000000 0.2829552 -0.2862683), wk = 0.0030488 k( 75) = ( 0.5000000 0.2918379 -0.2951739), wk = 0.0030488 k( 76) = ( 0.5000000 0.3007207 -0.3040795), wk = 0.0030488 k( 77) = ( 0.5000000 0.3096034 -0.3129852), wk = 0.0030488 k( 78) = ( 0.5000000 0.3184861 -0.3218908), wk = 0.0030488 k( 79) = ( 0.5000000 0.3273688 -0.3307964), wk = 0.0030488 k( 80) = ( 0.5000000 0.3362515 -0.3397020), wk = 0.0030488 k( 81) = ( 0.5000000 0.3451342 -0.3486077), wk = 0.0030488 k( 82) = ( 0.5000000 0.3540169 -0.3575133), wk = 0.0030488 k( 83) = ( 0.5000000 0.3628996 -0.3664189), wk = 0.0030488 k( 84) = ( 0.5000000 0.3717823 -0.3753245), wk = 0.0030488 k( 85) = ( 0.5000000 0.3806651 -0.3842302), wk = 0.0030488 k( 86) = ( 0.5000000 0.3895478 -0.3931358), wk = 0.0030488 k( 87) = ( 0.5000000 0.3984305 -0.4020414), wk = 0.0030488 k( 88) = ( 0.5000000 0.4073132 -0.4109471), wk = 0.0030488 k( 89) = ( 0.5000000 0.4161959 -0.4198527), wk = 0.0030488 k( 90) = ( 0.5000000 0.4250786 -0.4287583), wk = 0.0030488 k( 91) = ( 0.5000000 0.4339613 -0.4376639), wk = 0.0030488 k( 92) = ( 0.5000000 0.4428440 -0.4465696), wk = 0.0030488 k( 93) = ( 0.5000000 0.4517267 -0.4554752), wk = 0.0030488 k( 94) = ( 0.5000000 0.4606095 -0.4643808), wk = 0.0030488 k( 95) = ( 0.5000000 0.4694922 -0.4732865), wk = 0.0030488 k( 96) = ( 0.5000000 0.4783749 -0.4821921), wk = 0.0030488 k( 97) = ( 0.5000000 0.4872576 -0.4910977), wk = 0.0030488 k( 98) = ( 0.5000000 0.4961403 -0.5000033), wk = 0.0030488 k( 99) = ( 0.5025698 0.4987035 0.4948504), wk = 0.0030488 k( 100) = ( 0.5000000 0.4987101 0.4974269), wk = 0.0030488 k( 101) = ( 0.5000000 0.4987101 0.4974269), wk = 0.0030488 k( 102) = ( 0.4926471 0.4913762 0.4901118), wk = 0.0030488 k( 103) = ( 0.4852941 0.4840422 0.4827967), wk = 0.0030488 k( 104) = ( 0.4779412 0.4767082 0.4754816), wk = 0.0030488 k( 105) = ( 0.4705882 0.4693742 0.4681665), wk = 0.0030488 k( 106) = ( 0.4632353 0.4620403 0.4608514), wk = 0.0030488 k( 107) = ( 0.4558823 0.4547063 0.4535363), wk = 0.0030488 k( 108) = ( 0.4485294 0.4473723 0.4462212), wk = 0.0030488 k( 109) = ( 0.4411765 0.4400383 0.4389061), wk = 0.0030488 k( 110) = ( 0.4338235 0.4327044 0.4315910), wk = 0.0030488 k( 111) = ( 0.4264706 0.4253704 0.4242759), wk = 0.0030488 k( 112) = ( 0.4191177 0.4180364 0.4169608), wk = 0.0030488 k( 113) = ( 0.4117647 0.4107025 0.4096457), wk = 0.0030488 k( 114) = ( 0.4044118 0.4033685 0.4023306), wk = 0.0030488 k( 115) = ( 0.3970588 0.3960345 0.3950155), wk = 0.0030488 k( 116) = ( 0.3897059 0.3887005 0.3877004), wk = 0.0030488 k( 117) = ( 0.3823529 0.3813666 0.3803853), wk = 0.0030488 k( 118) = ( 0.3750000 0.3740326 0.3730702), wk = 0.0030488 k( 119) = ( 0.3676471 0.3666986 0.3657551), wk = 0.0030488 k( 120) = ( 0.3602941 0.3593646 0.3584400), wk = 0.0030488 k( 121) = ( 0.3529412 0.3520307 0.3511249), wk = 0.0030488 k( 122) = ( 0.3455882 0.3446967 0.3438098), wk = 0.0030488 k( 123) = ( 0.3382353 0.3373627 0.3364947), wk = 0.0030488 k( 124) = ( 0.3308823 0.3300288 0.3291796), wk = 0.0030488 k( 125) = ( 0.3235294 0.3226948 0.3218645), wk = 0.0030488 k( 126) = ( 0.3161765 0.3153608 0.3145494), wk = 0.0030488 k( 127) = ( 0.3088235 0.3080268 0.3072343), wk = 0.0030488 k( 128) = ( 0.3014706 0.3006929 0.2999192), wk = 0.0030488 k( 129) = ( 0.2941177 0.2933589 0.2926041), wk = 0.0030488 k( 130) = ( 0.2867647 0.2860249 0.2852890), wk = 0.0030488 k( 131) = ( 0.2794118 0.2786909 0.2779738), wk = 0.0030488 k( 132) = ( 0.2720588 0.2713570 0.2706587), wk = 0.0030488 k( 133) = ( 0.2647059 0.2640230 0.2633436), wk = 0.0030488 k( 134) = ( 0.2573529 0.2566890 0.2560285), wk = 0.0030488 k( 135) = ( 0.2500000 0.2493551 0.2487134), wk = 0.0030488 k( 136) = ( 0.2426471 0.2420211 0.2413983), wk = 0.0030488 k( 137) = ( 0.2352941 0.2346871 0.2340832), wk = 0.0030488 k( 138) = ( 0.2279412 0.2273531 0.2267681), wk = 0.0030488 k( 139) = ( 0.2205882 0.2200192 0.2194530), wk = 0.0030488 k( 140) = ( 0.2132353 0.2126852 0.2121379), wk = 0.0030488 k( 141) = ( 0.2058823 0.2053512 0.2048228), wk = 0.0030488 k( 142) = ( 0.1985294 0.1980173 0.1975077), wk = 0.0030488 k( 143) = ( 0.1911765 0.1906833 0.1901926), wk = 0.0030488 k( 144) = ( 0.1838235 0.1833493 0.1828775), wk = 0.0030488 k( 145) = ( 0.1764706 0.1760153 0.1755624), wk = 0.0030488 k( 146) = ( 0.1691177 0.1686814 0.1682473), wk = 0.0030488 k( 147) = ( 0.1617647 0.1613474 0.1609322), wk = 0.0030488 k( 148) = ( 0.1544118 0.1540134 0.1536171), wk = 0.0030488 k( 149) = ( 0.1470588 0.1466794 0.1463020), wk = 0.0030488 k( 150) = ( 0.1397059 0.1393455 0.1389869), wk = 0.0030488 k( 151) = ( 0.1323529 0.1320115 0.1316718), wk = 0.0030488 k( 152) = ( 0.1250000 0.1246775 0.1243567), wk = 0.0030488 k( 153) = ( 0.1176471 0.1173436 0.1170416), wk = 0.0030488 k( 154) = ( 0.1102941 0.1100096 0.1097265), wk = 0.0030488 k( 155) = ( 0.1029412 0.1026756 0.1024114), wk = 0.0030488 k( 156) = ( 0.0955882 0.0953416 0.0950963), wk = 0.0030488 k( 157) = ( 0.0882353 0.0880077 0.0877812), wk = 0.0030488 k( 158) = ( 0.0808824 0.0806737 0.0804661), wk = 0.0030488 k( 159) = ( 0.0735294 0.0733397 0.0731510), wk = 0.0030488 k( 160) = ( 0.0661765 0.0660058 0.0658359), wk = 0.0030488 k( 161) = ( 0.0588235 0.0586718 0.0585208), wk = 0.0030488 k( 162) = ( 0.0514706 0.0513378 0.0512057), wk = 0.0030488 k( 163) = ( 0.0441177 0.0440038 0.0438906), wk = 0.0030488 k( 164) = ( 0.0367647 0.0366699 0.0365755), wk = 0.0030488 k( 165) = ( 0.0294118 0.0293359 0.0292604), wk = 0.0030488 k( 166) = ( 0.0220588 0.0220019 0.0219453), wk = 0.0030488 k( 167) = ( 0.0147059 0.0146679 0.0146302), wk = 0.0030488 k( 168) = ( 0.0073529 0.0073340 0.0073151), wk = 0.0030488 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 171) = ( 0.0089056 -0.0000230 -0.0089286), wk = 0.0030488 k( 172) = ( 0.0178113 -0.0000460 -0.0178573), wk = 0.0030488 k( 173) = ( 0.0267169 -0.0000690 -0.0267859), wk = 0.0030488 k( 174) = ( 0.0356225 -0.0000920 -0.0357145), wk = 0.0030488 k( 175) = ( 0.0445281 -0.0001150 -0.0446432), wk = 0.0030488 k( 176) = ( 0.0534338 -0.0001380 -0.0535718), wk = 0.0030488 k( 177) = ( 0.0623394 -0.0001610 -0.0625004), wk = 0.0030488 k( 178) = ( 0.0712450 -0.0001840 -0.0714290), wk = 0.0030488 k( 179) = ( 0.0801506 -0.0002070 -0.0803577), wk = 0.0030488 k( 180) = ( 0.0890563 -0.0002300 -0.0892863), wk = 0.0030488 k( 181) = ( 0.0979619 -0.0002530 -0.0982149), wk = 0.0030488 k( 182) = ( 0.1068675 -0.0002760 -0.1071436), wk = 0.0030488 k( 183) = ( 0.1157732 -0.0002991 -0.1160722), wk = 0.0030488 k( 184) = ( 0.1246788 -0.0003221 -0.1250008), wk = 0.0030488 k( 185) = ( 0.1335844 -0.0003451 -0.1339295), wk = 0.0030488 k( 186) = ( 0.1424900 -0.0003681 -0.1428581), wk = 0.0030488 k( 187) = ( 0.1513956 -0.0003911 -0.1517867), wk = 0.0030488 k( 188) = ( 0.1603013 -0.0004141 -0.1607154), wk = 0.0030488 k( 189) = ( 0.1692069 -0.0004371 -0.1696440), wk = 0.0030488 k( 190) = ( 0.1781125 -0.0004601 -0.1785726), wk = 0.0030488 k( 191) = ( 0.1870182 -0.0004831 -0.1875012), wk = 0.0030488 k( 192) = ( 0.1959238 -0.0005061 -0.1964299), wk = 0.0030488 k( 193) = ( 0.2048294 -0.0005291 -0.2053585), wk = 0.0030488 k( 194) = ( 0.2137350 -0.0005521 -0.2142871), wk = 0.0030488 k( 195) = ( 0.2226407 -0.0005751 -0.2232158), wk = 0.0030488 k( 196) = ( 0.2315463 -0.0005981 -0.2321444), wk = 0.0030488 k( 197) = ( 0.2404519 -0.0006211 -0.2410730), wk = 0.0030488 k( 198) = ( 0.2493576 -0.0006441 -0.2500017), wk = 0.0030488 k( 199) = ( 0.2582632 -0.0006671 -0.2589303), wk = 0.0030488 k( 200) = ( 0.2671688 -0.0006901 -0.2678589), wk = 0.0030488 k( 201) = ( 0.2760744 -0.0007131 -0.2767876), wk = 0.0030488 k( 202) = ( 0.2849800 -0.0007361 -0.2857162), wk = 0.0030488 k( 203) = ( 0.2938857 -0.0007591 -0.2946448), wk = 0.0030488 k( 204) = ( 0.3027913 -0.0007821 -0.3035735), wk = 0.0030488 k( 205) = ( 0.3116969 -0.0008051 -0.3125021), wk = 0.0030488 k( 206) = ( 0.3206026 -0.0008281 -0.3214307), wk = 0.0030488 k( 207) = ( 0.3295082 -0.0008512 -0.3303593), wk = 0.0030488 k( 208) = ( 0.3384138 -0.0008742 -0.3392880), wk = 0.0030488 k( 209) = ( 0.3473194 -0.0008972 -0.3482166), wk = 0.0030488 k( 210) = ( 0.3562251 -0.0009202 -0.3571452), wk = 0.0030488 k( 211) = ( 0.3651307 -0.0009432 -0.3660739), wk = 0.0030488 k( 212) = ( 0.3740363 -0.0009662 -0.3750025), wk = 0.0030488 k( 213) = ( 0.3829419 -0.0009892 -0.3839311), wk = 0.0030488 k( 214) = ( 0.3918476 -0.0010122 -0.3928598), wk = 0.0030488 k( 215) = ( 0.4007532 -0.0010352 -0.4017884), wk = 0.0030488 k( 216) = ( 0.4096588 -0.0010582 -0.4107170), wk = 0.0030488 k( 217) = ( 0.4185645 -0.0010812 -0.4196457), wk = 0.0030488 k( 218) = ( 0.4274701 -0.0011042 -0.4285743), wk = 0.0030488 k( 219) = ( 0.4363757 -0.0011272 -0.4375029), wk = 0.0030488 k( 220) = ( 0.4452813 -0.0011502 -0.4464315), wk = 0.0030488 k( 221) = ( 0.4541870 -0.0011732 -0.4553602), wk = 0.0030488 k( 222) = ( 0.4630926 -0.0011962 -0.4642888), wk = 0.0030488 k( 223) = ( 0.4719982 -0.0012192 -0.4732174), wk = 0.0030488 k( 224) = ( 0.4809038 -0.0012422 -0.4821461), wk = 0.0030488 k( 225) = ( 0.4898095 -0.0012652 -0.4910747), wk = 0.0030488 k( 226) = ( 0.4987151 -0.0012882 -0.5000033), wk = 0.0030488 k( 227) = ( 0.5012849 0.4974219 -0.0025764), wk = 0.0030488 k( 228) = ( 0.5000000 0.4987101 -0.0025764), wk = 0.0030488 k( 229) = ( 0.5000000 0.4987101 -0.0025764), wk = 0.0030488 k( 230) = ( 0.5000321 0.4987422 0.0098592), wk = 0.0030488 k( 231) = ( 0.5000642 0.4987742 0.0222949), wk = 0.0030488 k( 232) = ( 0.5000964 0.4988062 0.0347306), wk = 0.0030488 k( 233) = ( 0.5001285 0.4988383 0.0471662), wk = 0.0030488 k( 234) = ( 0.5001606 0.4988703 0.0596019), wk = 0.0030488 k( 235) = ( 0.5001927 0.4989024 0.0720376), wk = 0.0030488 k( 236) = ( 0.5002249 0.4989344 0.0844733), wk = 0.0030488 k( 237) = ( 0.5002570 0.4989664 0.0969089), wk = 0.0030488 k( 238) = ( 0.5002891 0.4989985 0.1093446), wk = 0.0030488 k( 239) = ( 0.5003212 0.4990305 0.1217803), wk = 0.0030488 k( 240) = ( 0.5003534 0.4990626 0.1342159), wk = 0.0030488 k( 241) = ( 0.5003855 0.4990946 0.1466516), wk = 0.0030488 k( 242) = ( 0.5004176 0.4991266 0.1590873), wk = 0.0030488 k( 243) = ( 0.5004497 0.4991587 0.1715230), wk = 0.0030488 k( 244) = ( 0.5004818 0.4991907 0.1839586), wk = 0.0030488 k( 245) = ( 0.5005140 0.4992228 0.1963943), wk = 0.0030488 k( 246) = ( 0.5005461 0.4992548 0.2088300), wk = 0.0030488 k( 247) = ( 0.5005782 0.4992868 0.2212657), wk = 0.0030488 k( 248) = ( 0.5006103 0.4993189 0.2337013), wk = 0.0030488 k( 249) = ( 0.5006424 0.4993509 0.2461370), wk = 0.0030488 k( 250) = ( 0.5006746 0.4993830 0.2585727), wk = 0.0030488 k( 251) = ( 0.5007067 0.4994150 0.2710083), wk = 0.0030488 k( 252) = ( 0.5007388 0.4994470 0.2834440), wk = 0.0030488 k( 253) = ( 0.5007709 0.4994791 0.2958797), wk = 0.0030488 k( 254) = ( 0.5008031 0.4995111 0.3083154), wk = 0.0030488 k( 255) = ( 0.5008352 0.4995432 0.3207510), wk = 0.0030488 k( 256) = ( 0.5008673 0.4995752 0.3331867), wk = 0.0030488 k( 257) = ( 0.5008994 0.4996072 0.3456224), wk = 0.0030488 k( 258) = ( 0.5009316 0.4996393 0.3580580), wk = 0.0030488 k( 259) = ( 0.5009637 0.4996713 0.3704937), wk = 0.0030488 k( 260) = ( 0.5009958 0.4997034 0.3829294), wk = 0.0030488 k( 261) = ( 0.5010279 0.4997354 0.3953651), wk = 0.0030488 k( 262) = ( 0.5010600 0.4997674 0.4078007), wk = 0.0030488 k( 263) = ( 0.5010922 0.4997995 0.4202364), wk = 0.0030488 k( 264) = ( 0.5011243 0.4998315 0.4326721), wk = 0.0030488 k( 265) = ( 0.5011564 0.4998635 0.4451077), wk = 0.0030488 k( 266) = ( 0.5011885 0.4998956 0.4575434), wk = 0.0030488 k( 267) = ( 0.5012207 0.4999276 0.4699791), wk = 0.0030488 k( 268) = ( 0.5012528 0.4999597 0.4824148), wk = 0.0030488 k( 269) = ( 0.5012849 0.4999917 0.4948504), wk = 0.0030488 k( 270) = ( 0.5012849 0.4999917 0.4948504), wk = 0.0030488 k( 271) = ( 0.5000000 0.4987101 0.4974269), wk = 0.0030488 k( 272) = ( 0.5000000 -0.0012915 -0.0012882), wk = 0.0030488 k( 273) = ( 0.5000459 0.0076140 0.0075944), wk = 0.0030488 k( 274) = ( 0.5000918 0.0165195 0.0164770), wk = 0.0030488 k( 275) = ( 0.5001377 0.0254251 0.0253596), wk = 0.0030488 k( 276) = ( 0.5001836 0.0343306 0.0342423), wk = 0.0030488 k( 277) = ( 0.5002294 0.0432361 0.0431249), wk = 0.0030488 k( 278) = ( 0.5002753 0.0521417 0.0520075), wk = 0.0030488 k( 279) = ( 0.5003212 0.0610472 0.0608901), wk = 0.0030488 k( 280) = ( 0.5003671 0.0699528 0.0697728), wk = 0.0030488 k( 281) = ( 0.5004130 0.0788583 0.0786554), wk = 0.0030488 k( 282) = ( 0.5004589 0.0877638 0.0875380), wk = 0.0030488 k( 283) = ( 0.5005048 0.0966694 0.0964206), wk = 0.0030488 k( 284) = ( 0.5005507 0.1055749 0.1053033), wk = 0.0030488 k( 285) = ( 0.5005966 0.1144804 0.1141859), wk = 0.0030488 k( 286) = ( 0.5006424 0.1233860 0.1230685), wk = 0.0030488 k( 287) = ( 0.5006883 0.1322915 0.1319511), wk = 0.0030488 k( 288) = ( 0.5007342 0.1411971 0.1408337), wk = 0.0030488 k( 289) = ( 0.5007801 0.1501026 0.1497164), wk = 0.0030488 k( 290) = ( 0.5008260 0.1590081 0.1585990), wk = 0.0030488 k( 291) = ( 0.5008719 0.1679137 0.1674816), wk = 0.0030488 k( 292) = ( 0.5009178 0.1768192 0.1763642), wk = 0.0030488 k( 293) = ( 0.5009637 0.1857247 0.1852469), wk = 0.0030488 k( 294) = ( 0.5010096 0.1946303 0.1941295), wk = 0.0030488 k( 295) = ( 0.5010555 0.2035358 0.2030121), wk = 0.0030488 k( 296) = ( 0.5011014 0.2124414 0.2118947), wk = 0.0030488 k( 297) = ( 0.5011472 0.2213469 0.2207774), wk = 0.0030488 k( 298) = ( 0.5011931 0.2302524 0.2296600), wk = 0.0030488 k( 299) = ( 0.5012390 0.2391580 0.2385426), wk = 0.0030488 k( 300) = ( 0.5012849 0.2480635 0.2474252), wk = 0.0030488 k( 301) = ( 0.5013308 0.2569690 0.2563078), wk = 0.0030488 k( 302) = ( 0.5013767 0.2658746 0.2651905), wk = 0.0030488 k( 303) = ( 0.5014226 0.2747801 0.2740731), wk = 0.0030488 k( 304) = ( 0.5014685 0.2836857 0.2829557), wk = 0.0030488 k( 305) = ( 0.5015143 0.2925912 0.2918383), wk = 0.0030488 k( 306) = ( 0.5015602 0.3014967 0.3007210), wk = 0.0030488 k( 307) = ( 0.5016061 0.3104023 0.3096036), wk = 0.0030488 k( 308) = ( 0.5016520 0.3193078 0.3184862), wk = 0.0030488 k( 309) = ( 0.5016979 0.3282134 0.3273688), wk = 0.0030488 k( 310) = ( 0.5017438 0.3371189 0.3362515), wk = 0.0030488 k( 311) = ( 0.5017897 0.3460244 0.3451341), wk = 0.0030488 k( 312) = ( 0.5018356 0.3549300 0.3540167), wk = 0.0030488 k( 313) = ( 0.5018815 0.3638355 0.3628993), wk = 0.0030488 k( 314) = ( 0.5019274 0.3727410 0.3717819), wk = 0.0030488 k( 315) = ( 0.5019733 0.3816466 0.3806646), wk = 0.0030488 k( 316) = ( 0.5020191 0.3905521 0.3895472), wk = 0.0030488 k( 317) = ( 0.5020650 0.3994577 0.3984298), wk = 0.0030488 k( 318) = ( 0.5021109 0.4083632 0.4073124), wk = 0.0030488 k( 319) = ( 0.5021568 0.4172687 0.4161951), wk = 0.0030488 k( 320) = ( 0.5022027 0.4261743 0.4250777), wk = 0.0030488 k( 321) = ( 0.5022486 0.4350798 0.4339603), wk = 0.0030488 k( 322) = ( 0.5022945 0.4439854 0.4428429), wk = 0.0030488 k( 323) = ( 0.5023404 0.4528909 0.4517255), wk = 0.0030488 k( 324) = ( 0.5023863 0.4617964 0.4606082), wk = 0.0030488 k( 325) = ( 0.5024321 0.4707020 0.4694908), wk = 0.0030488 k( 326) = ( 0.5024780 0.4796075 0.4783734), wk = 0.0030488 k( 327) = ( 0.5025239 0.4885130 0.4872560), wk = 0.0030488 k( 328) = ( 0.5025698 0.4974186 0.4961387), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0125000 0.0000000 0.0000000), wk = 0.0030488 k( 3) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0030488 k( 4) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0030488 k( 5) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0030488 k( 6) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0030488 k( 7) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0030488 k( 8) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0030488 k( 9) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0030488 k( 10) = ( 0.1125000 0.0000000 0.0000000), wk = 0.0030488 k( 11) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0030488 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0030488 k( 13) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0030488 k( 14) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0030488 k( 15) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0030488 k( 16) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0030488 k( 17) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0030488 k( 18) = ( 0.2125000 0.0000000 0.0000000), wk = 0.0030488 k( 19) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0030488 k( 20) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0030488 k( 21) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0030488 k( 22) = ( 0.2625000 0.0000000 0.0000000), wk = 0.0030488 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0030488 k( 24) = ( 0.2875000 0.0000000 0.0000000), wk = 0.0030488 k( 25) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0030488 k( 26) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0030488 k( 27) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0030488 k( 28) = ( 0.3375000 0.0000000 0.0000000), wk = 0.0030488 k( 29) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0030488 k( 30) = ( 0.3625000 0.0000000 0.0000000), wk = 0.0030488 k( 31) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0030488 k( 32) = ( 0.3875000 0.0000000 0.0000000), wk = 0.0030488 k( 33) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0030488 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0030488 k( 35) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0030488 k( 36) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0030488 k( 37) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0030488 k( 38) = ( 0.4625000 0.0000000 0.0000000), wk = 0.0030488 k( 39) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0030488 k( 40) = ( 0.4875000 0.0000000 0.0000000), wk = 0.0030488 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 43) = ( 0.5000000 0.0088827 -0.0088827), wk = 0.0030488 k( 44) = ( 0.5000000 0.0177654 -0.0177654), wk = 0.0030488 k( 45) = ( 0.5000000 0.0266481 -0.0266480), wk = 0.0030488 k( 46) = ( 0.5000000 0.0355307 -0.0355307), wk = 0.0030488 k( 47) = ( 0.5000000 0.0444134 -0.0444134), wk = 0.0030488 k( 48) = ( 0.5000000 0.0532961 -0.0532961), wk = 0.0030488 k( 49) = ( 0.5000000 0.0621788 -0.0621788), wk = 0.0030488 k( 50) = ( 0.5000000 0.0710615 -0.0710615), wk = 0.0030488 k( 51) = ( 0.5000000 0.0799441 -0.0799441), wk = 0.0030488 k( 52) = ( 0.5000000 0.0888268 -0.0888268), wk = 0.0030488 k( 53) = ( 0.5000000 0.0977095 -0.0977095), wk = 0.0030488 k( 54) = ( 0.5000000 0.1065922 -0.1065922), wk = 0.0030488 k( 55) = ( 0.5000000 0.1154749 -0.1154749), wk = 0.0030488 k( 56) = ( 0.5000000 0.1243575 -0.1243575), wk = 0.0030488 k( 57) = ( 0.5000000 0.1332402 -0.1332402), wk = 0.0030488 k( 58) = ( 0.5000000 0.1421229 -0.1421229), wk = 0.0030488 k( 59) = ( 0.5000000 0.1510056 -0.1510056), wk = 0.0030488 k( 60) = ( 0.5000000 0.1598883 -0.1598883), wk = 0.0030488 k( 61) = ( 0.5000000 0.1687710 -0.1687710), wk = 0.0030488 k( 62) = ( 0.5000000 0.1776536 -0.1776536), wk = 0.0030488 k( 63) = ( 0.5000000 0.1865363 -0.1865363), wk = 0.0030488 k( 64) = ( 0.5000000 0.1954190 -0.1954190), wk = 0.0030488 k( 65) = ( 0.5000000 0.2043017 -0.2043017), wk = 0.0030488 k( 66) = ( 0.5000000 0.2131844 -0.2131844), wk = 0.0030488 k( 67) = ( 0.5000000 0.2220670 -0.2220670), wk = 0.0030488 k( 68) = ( 0.5000000 0.2309497 -0.2309497), wk = 0.0030488 k( 69) = ( 0.5000000 0.2398324 -0.2398324), wk = 0.0030488 k( 70) = ( 0.5000000 0.2487151 -0.2487151), wk = 0.0030488 k( 71) = ( 0.5000000 0.2575978 -0.2575978), wk = 0.0030488 k( 72) = ( 0.5000000 0.2664805 -0.2664805), wk = 0.0030488 k( 73) = ( 0.5000000 0.2753631 -0.2753631), wk = 0.0030488 k( 74) = ( 0.5000000 0.2842458 -0.2842458), wk = 0.0030488 k( 75) = ( 0.5000000 0.2931285 -0.2931285), wk = 0.0030488 k( 76) = ( 0.5000000 0.3020112 -0.3020112), wk = 0.0030488 k( 77) = ( 0.5000000 0.3108939 -0.3108939), wk = 0.0030488 k( 78) = ( 0.5000000 0.3197766 -0.3197765), wk = 0.0030488 k( 79) = ( 0.5000000 0.3286592 -0.3286592), wk = 0.0030488 k( 80) = ( 0.5000000 0.3375419 -0.3375419), wk = 0.0030488 k( 81) = ( 0.5000000 0.3464246 -0.3464246), wk = 0.0030488 k( 82) = ( 0.5000000 0.3553073 -0.3553073), wk = 0.0030488 k( 83) = ( 0.5000000 0.3641900 -0.3641900), wk = 0.0030488 k( 84) = ( 0.5000000 0.3730726 -0.3730726), wk = 0.0030488 k( 85) = ( 0.5000000 0.3819553 -0.3819553), wk = 0.0030488 k( 86) = ( 0.5000000 0.3908380 -0.3908380), wk = 0.0030488 k( 87) = ( 0.5000000 0.3997207 -0.3997207), wk = 0.0030488 k( 88) = ( 0.5000000 0.4086034 -0.4086034), wk = 0.0030488 k( 89) = ( 0.5000000 0.4174860 -0.4174860), wk = 0.0030488 k( 90) = ( 0.5000000 0.4263687 -0.4263687), wk = 0.0030488 k( 91) = ( 0.5000000 0.4352514 -0.4352514), wk = 0.0030488 k( 92) = ( 0.5000000 0.4441341 -0.4441341), wk = 0.0030488 k( 93) = ( 0.5000000 0.4530168 -0.4530168), wk = 0.0030488 k( 94) = ( 0.5000000 0.4618995 -0.4618995), wk = 0.0030488 k( 95) = ( 0.5000000 0.4707822 -0.4707821), wk = 0.0030488 k( 96) = ( 0.5000000 0.4796648 -0.4796648), wk = 0.0030488 k( 97) = ( 0.5000000 0.4885475 -0.4885475), wk = 0.0030488 k( 98) = ( 0.5000000 0.4974302 -0.4974302), wk = 0.0030488 k( 99) = ( 0.5025698 0.5000000 0.4974302), wk = 0.0030488 k( 100) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 101) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 102) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0030488 k( 103) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0030488 k( 104) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0030488 k( 105) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0030488 k( 106) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0030488 k( 107) = ( 0.4558823 0.4558824 0.4558823), wk = 0.0030488 k( 108) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0030488 k( 109) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0030488 k( 110) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0030488 k( 111) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0030488 k( 112) = ( 0.4191177 0.4191177 0.4191177), wk = 0.0030488 k( 113) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0030488 k( 114) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0030488 k( 115) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0030488 k( 116) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0030488 k( 117) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0030488 k( 118) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0030488 k( 119) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0030488 k( 120) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0030488 k( 121) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0030488 k( 122) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0030488 k( 123) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0030488 k( 124) = ( 0.3308823 0.3308824 0.3308823), wk = 0.0030488 k( 125) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0030488 k( 126) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0030488 k( 127) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0030488 k( 128) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0030488 k( 129) = ( 0.2941177 0.2941177 0.2941176), wk = 0.0030488 k( 130) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0030488 k( 131) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0030488 k( 132) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0030488 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0030488 k( 134) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0030488 k( 135) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030488 k( 136) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0030488 k( 137) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0030488 k( 138) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0030488 k( 139) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0030488 k( 140) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0030488 k( 141) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0030488 k( 142) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0030488 k( 143) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0030488 k( 144) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0030488 k( 145) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0030488 k( 146) = ( 0.1691177 0.1691177 0.1691177), wk = 0.0030488 k( 147) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0030488 k( 148) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0030488 k( 149) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0030488 k( 150) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0030488 k( 151) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0030488 k( 152) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0030488 k( 153) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0030488 k( 154) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0030488 k( 155) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0030488 k( 156) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0030488 k( 157) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0030488 k( 158) = ( 0.0808824 0.0808823 0.0808824), wk = 0.0030488 k( 159) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0030488 k( 160) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0030488 k( 161) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0030488 k( 162) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0030488 k( 163) = ( 0.0441177 0.0441177 0.0441176), wk = 0.0030488 k( 164) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0030488 k( 165) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0030488 k( 166) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0030488 k( 167) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0030488 k( 168) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0030488 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 171) = ( 0.0089056 0.0000000 -0.0089056), wk = 0.0030488 k( 172) = ( 0.0178113 0.0000000 -0.0178112), wk = 0.0030488 k( 173) = ( 0.0267169 0.0000000 -0.0267169), wk = 0.0030488 k( 174) = ( 0.0356225 0.0000000 -0.0356225), wk = 0.0030488 k( 175) = ( 0.0445281 0.0000000 -0.0445281), wk = 0.0030488 k( 176) = ( 0.0534338 0.0000000 -0.0534338), wk = 0.0030488 k( 177) = ( 0.0623394 0.0000000 -0.0623394), wk = 0.0030488 k( 178) = ( 0.0712450 0.0000000 -0.0712450), wk = 0.0030488 k( 179) = ( 0.0801506 0.0000000 -0.0801506), wk = 0.0030488 k( 180) = ( 0.0890563 0.0000000 -0.0890563), wk = 0.0030488 k( 181) = ( 0.0979619 0.0000000 -0.0979619), wk = 0.0030488 k( 182) = ( 0.1068675 0.0000000 -0.1068675), wk = 0.0030488 k( 183) = ( 0.1157732 0.0000000 -0.1157731), wk = 0.0030488 k( 184) = ( 0.1246788 0.0000000 -0.1246788), wk = 0.0030488 k( 185) = ( 0.1335844 0.0000000 -0.1335844), wk = 0.0030488 k( 186) = ( 0.1424900 0.0000000 -0.1424900), wk = 0.0030488 k( 187) = ( 0.1513956 0.0000000 -0.1513956), wk = 0.0030488 k( 188) = ( 0.1603013 0.0000000 -0.1603013), wk = 0.0030488 k( 189) = ( 0.1692069 0.0000000 -0.1692069), wk = 0.0030488 k( 190) = ( 0.1781125 0.0000000 -0.1781125), wk = 0.0030488 k( 191) = ( 0.1870182 0.0000000 -0.1870182), wk = 0.0030488 k( 192) = ( 0.1959238 0.0000000 -0.1959238), wk = 0.0030488 k( 193) = ( 0.2048294 -0.0000000 -0.2048294), wk = 0.0030488 k( 194) = ( 0.2137350 0.0000000 -0.2137350), wk = 0.0030488 k( 195) = ( 0.2226407 0.0000000 -0.2226407), wk = 0.0030488 k( 196) = ( 0.2315463 0.0000000 -0.2315463), wk = 0.0030488 k( 197) = ( 0.2404519 0.0000000 -0.2404519), wk = 0.0030488 k( 198) = ( 0.2493576 0.0000000 -0.2493576), wk = 0.0030488 k( 199) = ( 0.2582632 0.0000000 -0.2582632), wk = 0.0030488 k( 200) = ( 0.2671688 0.0000000 -0.2671688), wk = 0.0030488 k( 201) = ( 0.2760744 0.0000000 -0.2760744), wk = 0.0030488 k( 202) = ( 0.2849800 0.0000000 -0.2849800), wk = 0.0030488 k( 203) = ( 0.2938857 0.0000000 -0.2938857), wk = 0.0030488 k( 204) = ( 0.3027913 0.0000000 -0.3027913), wk = 0.0030488 k( 205) = ( 0.3116969 0.0000000 -0.3116969), wk = 0.0030488 k( 206) = ( 0.3206026 0.0000000 -0.3206026), wk = 0.0030488 k( 207) = ( 0.3295082 0.0000000 -0.3295082), wk = 0.0030488 k( 208) = ( 0.3384138 0.0000000 -0.3384138), wk = 0.0030488 k( 209) = ( 0.3473194 0.0000000 -0.3473194), wk = 0.0030488 k( 210) = ( 0.3562251 0.0000000 -0.3562251), wk = 0.0030488 k( 211) = ( 0.3651307 0.0000000 -0.3651307), wk = 0.0030488 k( 212) = ( 0.3740363 0.0000000 -0.3740363), wk = 0.0030488 k( 213) = ( 0.3829419 0.0000000 -0.3829419), wk = 0.0030488 k( 214) = ( 0.3918476 0.0000000 -0.3918476), wk = 0.0030488 k( 215) = ( 0.4007532 -0.0000000 -0.4007532), wk = 0.0030488 k( 216) = ( 0.4096588 0.0000000 -0.4096588), wk = 0.0030488 k( 217) = ( 0.4185645 0.0000000 -0.4185645), wk = 0.0030488 k( 218) = ( 0.4274701 0.0000000 -0.4274701), wk = 0.0030488 k( 219) = ( 0.4363757 0.0000000 -0.4363757), wk = 0.0030488 k( 220) = ( 0.4452813 0.0000000 -0.4452813), wk = 0.0030488 k( 221) = ( 0.4541870 0.0000000 -0.4541870), wk = 0.0030488 k( 222) = ( 0.4630926 0.0000000 -0.4630926), wk = 0.0030488 k( 223) = ( 0.4719982 0.0000000 -0.4719982), wk = 0.0030488 k( 224) = ( 0.4809038 0.0000000 -0.4809038), wk = 0.0030488 k( 225) = ( 0.4898095 0.0000000 -0.4898095), wk = 0.0030488 k( 226) = ( 0.4987151 0.0000000 -0.4987151), wk = 0.0030488 k( 227) = ( 0.5012849 0.4987151 0.0000000), wk = 0.0030488 k( 228) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 229) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 230) = ( 0.5000321 0.5000321 0.0124358), wk = 0.0030488 k( 231) = ( 0.5000642 0.5000643 0.0248715), wk = 0.0030488 k( 232) = ( 0.5000964 0.5000964 0.0373073), wk = 0.0030488 k( 233) = ( 0.5001285 0.5001285 0.0497430), wk = 0.0030488 k( 234) = ( 0.5001606 0.5001606 0.0621788), wk = 0.0030488 k( 235) = ( 0.5001927 0.5001927 0.0746145), wk = 0.0030488 k( 236) = ( 0.5002249 0.5002249 0.0870503), wk = 0.0030488 k( 237) = ( 0.5002570 0.5002570 0.0994860), wk = 0.0030488 k( 238) = ( 0.5002891 0.5002891 0.1119218), wk = 0.0030488 k( 239) = ( 0.5003212 0.5003212 0.1243575), wk = 0.0030488 k( 240) = ( 0.5003534 0.5003534 0.1367933), wk = 0.0030488 k( 241) = ( 0.5003855 0.5003855 0.1492291), wk = 0.0030488 k( 242) = ( 0.5004176 0.5004176 0.1616648), wk = 0.0030488 k( 243) = ( 0.5004497 0.5004497 0.1741006), wk = 0.0030488 k( 244) = ( 0.5004818 0.5004818 0.1865363), wk = 0.0030488 k( 245) = ( 0.5005140 0.5005140 0.1989721), wk = 0.0030488 k( 246) = ( 0.5005461 0.5005461 0.2114078), wk = 0.0030488 k( 247) = ( 0.5005782 0.5005782 0.2238436), wk = 0.0030488 k( 248) = ( 0.5006103 0.5006103 0.2362793), wk = 0.0030488 k( 249) = ( 0.5006424 0.5006424 0.2487151), wk = 0.0030488 k( 250) = ( 0.5006746 0.5006746 0.2611508), wk = 0.0030488 k( 251) = ( 0.5007067 0.5007067 0.2735866), wk = 0.0030488 k( 252) = ( 0.5007388 0.5007388 0.2860224), wk = 0.0030488 k( 253) = ( 0.5007709 0.5007709 0.2984581), wk = 0.0030488 k( 254) = ( 0.5008031 0.5008031 0.3108939), wk = 0.0030488 k( 255) = ( 0.5008352 0.5008352 0.3233296), wk = 0.0030488 k( 256) = ( 0.5008673 0.5008673 0.3357654), wk = 0.0030488 k( 257) = ( 0.5008994 0.5008994 0.3482011), wk = 0.0030488 k( 258) = ( 0.5009316 0.5009316 0.3606369), wk = 0.0030488 k( 259) = ( 0.5009637 0.5009637 0.3730726), wk = 0.0030488 k( 260) = ( 0.5009958 0.5009958 0.3855084), wk = 0.0030488 k( 261) = ( 0.5010279 0.5010279 0.3979441), wk = 0.0030488 k( 262) = ( 0.5010600 0.5010601 0.4103799), wk = 0.0030488 k( 263) = ( 0.5010922 0.5010922 0.4228157), wk = 0.0030488 k( 264) = ( 0.5011243 0.5011243 0.4352514), wk = 0.0030488 k( 265) = ( 0.5011564 0.5011564 0.4476872), wk = 0.0030488 k( 266) = ( 0.5011885 0.5011885 0.4601229), wk = 0.0030488 k( 267) = ( 0.5012207 0.5012207 0.4725587), wk = 0.0030488 k( 268) = ( 0.5012528 0.5012528 0.4849944), wk = 0.0030488 k( 269) = ( 0.5012849 0.5012849 0.4974302), wk = 0.0030488 k( 270) = ( 0.5012849 0.5012849 0.4974302), wk = 0.0030488 k( 271) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 272) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 273) = ( 0.5000459 0.0089056 0.0089056), wk = 0.0030488 k( 274) = ( 0.5000918 0.0178113 0.0178112), wk = 0.0030488 k( 275) = ( 0.5001377 0.0267169 0.0267169), wk = 0.0030488 k( 276) = ( 0.5001836 0.0356225 0.0356225), wk = 0.0030488 k( 277) = ( 0.5002294 0.0445281 0.0445281), wk = 0.0030488 k( 278) = ( 0.5002753 0.0534338 0.0534338), wk = 0.0030488 k( 279) = ( 0.5003212 0.0623394 0.0623394), wk = 0.0030488 k( 280) = ( 0.5003671 0.0712450 0.0712450), wk = 0.0030488 k( 281) = ( 0.5004130 0.0801506 0.0801506), wk = 0.0030488 k( 282) = ( 0.5004589 0.0890563 0.0890563), wk = 0.0030488 k( 283) = ( 0.5005048 0.0979619 0.0979619), wk = 0.0030488 k( 284) = ( 0.5005507 0.1068675 0.1068675), wk = 0.0030488 k( 285) = ( 0.5005966 0.1157731 0.1157731), wk = 0.0030488 k( 286) = ( 0.5006424 0.1246788 0.1246788), wk = 0.0030488 k( 287) = ( 0.5006883 0.1335844 0.1335844), wk = 0.0030488 k( 288) = ( 0.5007342 0.1424900 0.1424900), wk = 0.0030488 k( 289) = ( 0.5007801 0.1513956 0.1513956), wk = 0.0030488 k( 290) = ( 0.5008260 0.1603013 0.1603013), wk = 0.0030488 k( 291) = ( 0.5008719 0.1692069 0.1692069), wk = 0.0030488 k( 292) = ( 0.5009178 0.1781125 0.1781125), wk = 0.0030488 k( 293) = ( 0.5009637 0.1870182 0.1870182), wk = 0.0030488 k( 294) = ( 0.5010096 0.1959238 0.1959238), wk = 0.0030488 k( 295) = ( 0.5010555 0.2048294 0.2048294), wk = 0.0030488 k( 296) = ( 0.5011014 0.2137350 0.2137350), wk = 0.0030488 k( 297) = ( 0.5011472 0.2226407 0.2226407), wk = 0.0030488 k( 298) = ( 0.5011931 0.2315463 0.2315463), wk = 0.0030488 k( 299) = ( 0.5012390 0.2404519 0.2404519), wk = 0.0030488 k( 300) = ( 0.5012849 0.2493575 0.2493576), wk = 0.0030488 k( 301) = ( 0.5013308 0.2582632 0.2582632), wk = 0.0030488 k( 302) = ( 0.5013767 0.2671688 0.2671688), wk = 0.0030488 k( 303) = ( 0.5014226 0.2760744 0.2760744), wk = 0.0030488 k( 304) = ( 0.5014685 0.2849800 0.2849800), wk = 0.0030488 k( 305) = ( 0.5015143 0.2938857 0.2938857), wk = 0.0030488 k( 306) = ( 0.5015602 0.3027913 0.3027913), wk = 0.0030488 k( 307) = ( 0.5016061 0.3116969 0.3116969), wk = 0.0030488 k( 308) = ( 0.5016520 0.3206026 0.3206026), wk = 0.0030488 k( 309) = ( 0.5016979 0.3295082 0.3295082), wk = 0.0030488 k( 310) = ( 0.5017438 0.3384138 0.3384138), wk = 0.0030488 k( 311) = ( 0.5017897 0.3473194 0.3473194), wk = 0.0030488 k( 312) = ( 0.5018356 0.3562251 0.3562251), wk = 0.0030488 k( 313) = ( 0.5018815 0.3651307 0.3651307), wk = 0.0030488 k( 314) = ( 0.5019274 0.3740363 0.3740363), wk = 0.0030488 k( 315) = ( 0.5019733 0.3829419 0.3829419), wk = 0.0030488 k( 316) = ( 0.5020191 0.3918476 0.3918476), wk = 0.0030488 k( 317) = ( 0.5020650 0.4007532 0.4007532), wk = 0.0030488 k( 318) = ( 0.5021109 0.4096588 0.4096588), wk = 0.0030488 k( 319) = ( 0.5021568 0.4185645 0.4185645), wk = 0.0030488 k( 320) = ( 0.5022027 0.4274701 0.4274701), wk = 0.0030488 k( 321) = ( 0.5022486 0.4363757 0.4363757), wk = 0.0030488 k( 322) = ( 0.5022945 0.4452813 0.4452813), wk = 0.0030488 k( 323) = ( 0.5023404 0.4541870 0.4541870), wk = 0.0030488 k( 324) = ( 0.5023863 0.4630926 0.4630926), wk = 0.0030488 k( 325) = ( 0.5024321 0.4719982 0.4719982), wk = 0.0030488 k( 326) = ( 0.5024780 0.4809038 0.4809038), wk = 0.0030488 k( 327) = ( 0.5025239 0.4898095 0.4898095), wk = 0.0030488 k( 328) = ( 0.5025698 0.4987151 0.4987151), wk = 0.0030488 Dense grid: 101085 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 21999 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 130, 48) NL pseudopotentials 0.11 Mb ( 65, 111) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2106) G-vector shells 0.01 Mb ( 1786) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 130, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 111, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaTiO3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 83.6 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 87.1 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 90.4 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.8 secs Computing kpt #: 5 total cpu time spent up to now is 105.0 secs Computing kpt #: 6 total cpu time spent up to now is 116.4 secs Computing kpt #: 7 total cpu time spent up to now is 118.3 secs Computing kpt #: 8 total cpu time spent up to now is 134.9 secs Computing kpt #: 9 total cpu time spent up to now is 138.4 secs Computing kpt #: 10 total cpu time spent up to now is 145.0 secs Computing kpt #: 11 total cpu time spent up to now is 146.3 secs Computing kpt #: 12 total cpu time spent up to now is 148.5 secs Computing kpt #: 13 total cpu time spent up to now is 150.2 secs Computing kpt #: 14 total cpu time spent up to now is 151.5 secs Computing kpt #: 15 total cpu time spent up to now is 161.2 secs Computing kpt #: 16 total cpu time spent up to now is 162.7 secs Computing kpt #: 17 total cpu time spent up to now is 181.4 secs Computing kpt #: 18 total cpu time spent up to now is 182.7 secs Computing kpt #: 19 total cpu time spent up to now is 184.0 secs Computing kpt #: 20 total cpu time spent up to now is 185.3 secs Computing kpt #: 21 total cpu time spent up to now is 186.5 secs Computing kpt #: 22 total cpu time spent up to now is 187.8 secs Computing kpt #: 23 total cpu time spent up to now is 198.5 secs Computing kpt #: 24 total cpu time spent up to now is 199.7 secs Computing kpt #: 25 total cpu time spent up to now is 201.0 secs Computing kpt #: 26 total cpu time spent up to now is 204.8 secs Computing kpt #: 27 total cpu time spent up to now is 206.0 secs Computing kpt #: 28 total cpu time spent up to now is 207.2 secs Computing kpt #: 29 total cpu time spent up to now is 208.5 secs Computing kpt #: 30 total cpu time spent up to now is 209.8 secs Computing kpt #: 31 total cpu time spent up to now is 211.0 secs Computing kpt #: 32 total cpu time spent up to now is 212.2 secs Computing kpt #: 33 total cpu time spent up to now is 213.4 secs Computing kpt #: 34 total cpu time spent up to now is 219.1 secs Computing kpt #: 35 total cpu time spent up to now is 230.0 secs Computing kpt #: 36 total cpu time spent up to now is 231.2 secs Computing kpt #: 37 total cpu time spent up to now is 232.4 secs Computing kpt #: 38 total cpu time spent up to now is 233.6 secs Computing kpt #: 39 total cpu time spent up to now is 242.4 secs Computing kpt #: 40 total cpu time spent up to now is 243.6 secs Computing kpt #: 41 total cpu time spent up to now is 244.9 secs Computing kpt #: 42 total cpu time spent up to now is 246.1 secs Computing kpt #: 43 total cpu time spent up to now is 248.7 secs Computing kpt #: 44 total cpu time spent up to now is 249.9 secs Computing kpt #: 45 total cpu time spent up to now is 251.1 secs Computing kpt #: 46 total cpu time spent up to now is 252.4 secs Computing kpt #: 47 total cpu time spent up to now is 253.7 secs Computing kpt #: 48 total cpu time spent up to now is 259.1 secs Computing kpt #: 49 total cpu time spent up to now is 260.4 secs Computing kpt #: 50 total cpu time spent up to now is 261.6 secs Computing kpt #: 51 total cpu time spent up to now is 262.8 secs Computing kpt #: 52 total cpu time spent up to now is 264.1 secs Computing kpt #: 53 total cpu time spent up to now is 265.3 secs Computing kpt #: 54 total cpu time spent up to now is 266.7 secs Computing kpt #: 55 total cpu time spent up to now is 267.9 secs Computing kpt #: 56 total cpu time spent up to now is 269.1 secs Computing kpt #: 57 total cpu time spent up to now is 270.3 secs Computing kpt #: 58 total cpu time spent up to now is 271.5 secs Computing kpt #: 59 total cpu time spent up to now is 272.7 secs Computing kpt #: 60 total cpu time spent up to now is 273.9 secs Computing kpt #: 61 total cpu time spent up to now is 281.2 secs Computing kpt #: 62 total cpu time spent up to now is 283.4 secs Computing kpt #: 63 total cpu time spent up to now is 284.6 secs Computing kpt #: 64 total cpu time spent up to now is 290.8 secs Computing kpt #: 65 total cpu time spent up to now is 292.1 secs Computing kpt #: 66 total cpu time spent up to now is 301.7 secs Computing kpt #: 67 total cpu time spent up to now is 303.0 secs Computing kpt #: 68 total cpu time spent up to now is 307.5 secs Computing kpt #: 69 total cpu time spent up to now is 309.1 secs Computing kpt #: 70 total cpu time spent up to now is 310.6 secs Computing kpt #: 71 total cpu time spent up to now is 312.0 secs Computing kpt #: 72 total cpu time spent up to now is 313.4 secs Computing kpt #: 73 total cpu time spent up to now is 315.2 secs Computing kpt #: 74 total cpu time spent up to now is 316.9 secs Computing kpt #: 75 total cpu time spent up to now is 318.6 secs Computing kpt #: 76 total cpu time spent up to now is 320.4 secs Computing kpt #: 77 total cpu time spent up to now is 322.1 secs Computing kpt #: 78 total cpu time spent up to now is 324.3 secs Computing kpt #: 79 total cpu time spent up to now is 326.2 secs Computing kpt #: 80 total cpu time spent up to now is 328.3 secs Computing kpt #: 81 total cpu time spent up to now is 330.7 secs Computing kpt #: 82 total cpu time spent up to now is 333.1 secs Computing kpt #: 83 total cpu time spent up to now is 335.4 secs Computing kpt #: 84 total cpu time spent up to now is 348.2 secs Computing kpt #: 85 total cpu time spent up to now is 352.4 secs Computing kpt #: 86 total cpu time spent up to now is 354.9 secs Computing kpt #: 87 total cpu time spent up to now is 357.5 secs Computing kpt #: 88 total cpu time spent up to now is 375.5 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 382.9 secs Computing kpt #: 90 total cpu time spent up to now is 386.0 secs Computing kpt #: 91 total cpu time spent up to now is 389.1 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 394.9 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 404.6 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 409.1 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 415.2 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 423.4 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 426.6 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 429.7 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 433.0 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 436.1 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 439.0 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 442.1 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 445.3 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 448.4 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 451.6 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 454.7 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 457.8 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 469.7 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 472.8 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 477.3 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 480.5 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 483.6 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 508.5 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 511.7 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 514.9 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 518.1 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 532.8 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 540.3 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 558.4 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 561.5 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 564.7 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 569.2 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 572.4 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 575.7 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 578.9 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 596.8 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 605.9 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 613.7 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 620.8 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 624.0 secs Computing kpt #: 131 total cpu time spent up to now is 626.2 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 629.2 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 635.8 secs Computing kpt #: 134 total cpu time spent up to now is 640.9 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 644.1 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 647.3 secs Computing kpt #: 137 total cpu time spent up to now is 649.1 secs Computing kpt #: 138 total cpu time spent up to now is 650.7 secs Computing kpt #: 139 total cpu time spent up to now is 652.4 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 655.5 secs Computing kpt #: 141 total cpu time spent up to now is 657.2 secs Computing kpt #: 142 total cpu time spent up to now is 658.8 secs Computing kpt #: 143 total cpu time spent up to now is 660.5 secs Computing kpt #: 144 total cpu time spent up to now is 662.2 secs Computing kpt #: 145 total cpu time spent up to now is 663.7 secs Computing kpt #: 146 total cpu time spent up to now is 665.4 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 672.7 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 686.0 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 689.2 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 692.4 secs Computing kpt #: 151 total cpu time spent up to now is 694.8 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 698.1 secs Computing kpt #: 153 total cpu time spent up to now is 700.5 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 703.7 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 706.9 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 710.1 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 713.4 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 718.2 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 722.1 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 725.4 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 728.6 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 731.8 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 735.1 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 738.1 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 744.5 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 747.8 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 751.0 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 754.1 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 757.3 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 760.4 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 763.8 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 768.3 secs Computing kpt #: 173 total cpu time spent up to now is 771.1 secs Computing kpt #: 174 total cpu time spent up to now is 774.7 secs Computing kpt #: 175 total cpu time spent up to now is 777.5 secs Computing kpt #: 176 total cpu time spent up to now is 780.3 secs Computing kpt #: 177 total cpu time spent up to now is 783.9 secs Computing kpt #: 178 total cpu time spent up to now is 786.1 secs Computing kpt #: 179 total cpu time spent up to now is 788.1 secs Computing kpt #: 180 total cpu time spent up to now is 791.2 secs Computing kpt #: 181 total cpu time spent up to now is 792.9 secs Computing kpt #: 182 total cpu time spent up to now is 794.6 secs Computing kpt #: 183 total cpu time spent up to now is 799.2 secs Computing kpt #: 184 total cpu time spent up to now is 800.9 secs Computing kpt #: 185 total cpu time spent up to now is 802.3 secs Computing kpt #: 186 total cpu time spent up to now is 803.7 secs Computing kpt #: 187 total cpu time spent up to now is 805.0 secs Computing kpt #: 188 total cpu time spent up to now is 806.2 secs Computing kpt #: 189 total cpu time spent up to now is 807.8 secs Computing kpt #: 190 total cpu time spent up to now is 809.1 secs Computing kpt #: 191 total cpu time spent up to now is 810.4 secs Computing kpt #: 192 total cpu time spent up to now is 811.8 secs Computing kpt #: 193 total cpu time spent up to now is 813.1 secs Computing kpt #: 194 total cpu time spent up to now is 814.4 secs Computing kpt #: 195 total cpu time spent up to now is 815.6 secs Computing kpt #: 196 total cpu time spent up to now is 817.0 secs Computing kpt #: 197 total cpu time spent up to now is 818.2 secs Computing kpt #: 198 total cpu time spent up to now is 819.5 secs Computing kpt #: 199 total cpu time spent up to now is 820.7 secs Computing kpt #: 200 total cpu time spent up to now is 821.9 secs Computing kpt #: 201 total cpu time spent up to now is 823.2 secs Computing kpt #: 202 total cpu time spent up to now is 824.4 secs Computing kpt #: 203 total cpu time spent up to now is 825.6 secs Computing kpt #: 204 total cpu time spent up to now is 826.7 secs Computing kpt #: 205 total cpu time spent up to now is 828.0 secs Computing kpt #: 206 total cpu time spent up to now is 829.3 secs Computing kpt #: 207 total cpu time spent up to now is 830.5 secs Computing kpt #: 208 total cpu time spent up to now is 833.0 secs Computing kpt #: 209 total cpu time spent up to now is 834.2 secs Computing kpt #: 210 total cpu time spent up to now is 835.4 secs Computing kpt #: 211 total cpu time spent up to now is 836.6 secs Computing kpt #: 212 total cpu time spent up to now is 837.7 secs Computing kpt #: 213 total cpu time spent up to now is 838.9 secs Computing kpt #: 214 total cpu time spent up to now is 839.9 secs Computing kpt #: 215 total cpu time spent up to now is 841.1 secs Computing kpt #: 216 total cpu time spent up to now is 842.0 secs Computing kpt #: 217 total cpu time spent up to now is 843.3 secs Computing kpt #: 218 total cpu time spent up to now is 844.4 secs Computing kpt #: 219 total cpu time spent up to now is 845.5 secs Computing kpt #: 220 total cpu time spent up to now is 846.5 secs Computing kpt #: 221 total cpu time spent up to now is 847.5 secs Computing kpt #: 222 total cpu time spent up to now is 848.6 secs Computing kpt #: 223 total cpu time spent up to now is 849.6 secs Computing kpt #: 224 total cpu time spent up to now is 850.6 secs Computing kpt #: 225 total cpu time spent up to now is 851.6 secs Computing kpt #: 226 total cpu time spent up to now is 852.6 secs Computing kpt #: 227 total cpu time spent up to now is 853.7 secs Computing kpt #: 228 total cpu time spent up to now is 854.8 secs Computing kpt #: 229 total cpu time spent up to now is 855.8 secs Computing kpt #: 230 total cpu time spent up to now is 857.0 secs Computing kpt #: 231 total cpu time spent up to now is 858.0 secs Computing kpt #: 232 total cpu time spent up to now is 859.1 secs Computing kpt #: 233 total cpu time spent up to now is 860.2 secs Computing kpt #: 234 total cpu time spent up to now is 861.2 secs Computing kpt #: 235 total cpu time spent up to now is 862.2 secs Computing kpt #: 236 total cpu time spent up to now is 863.3 secs Computing kpt #: 237 total cpu time spent up to now is 864.3 secs Computing kpt #: 238 total cpu time spent up to now is 865.4 secs Computing kpt #: 239 total cpu time spent up to now is 866.5 secs Computing kpt #: 240 total cpu time spent up to now is 874.9 secs Computing kpt #: 241 total cpu time spent up to now is 876.2 secs Computing kpt #: 242 total cpu time spent up to now is 879.2 secs Computing kpt #: 243 total cpu time spent up to now is 880.8 secs Computing kpt #: 244 total cpu time spent up to now is 882.2 secs Computing kpt #: 245 total cpu time spent up to now is 883.8 secs Computing kpt #: 246 total cpu time spent up to now is 885.3 secs Computing kpt #: 247 total cpu time spent up to now is 886.8 secs Computing kpt #: 248 total cpu time spent up to now is 888.4 secs Computing kpt #: 249 total cpu time spent up to now is 890.0 secs Computing kpt #: 250 total cpu time spent up to now is 891.6 secs Computing kpt #: 251 total cpu time spent up to now is 893.8 secs Computing kpt #: 252 total cpu time spent up to now is 895.5 secs Computing kpt #: 253 total cpu time spent up to now is 897.7 secs Computing kpt #: 254 total cpu time spent up to now is 899.5 secs Computing kpt #: 255 total cpu time spent up to now is 901.3 secs Computing kpt #: 256 total cpu time spent up to now is 907.9 secs Computing kpt #: 257 total cpu time spent up to now is 913.9 secs Computing kpt #: 258 total cpu time spent up to now is 922.9 secs Computing kpt #: 259 total cpu time spent up to now is 925.4 secs Computing kpt #: 260 total cpu time spent up to now is 927.4 secs Computing kpt #: 261 total cpu time spent up to now is 930.0 secs Computing kpt #: 262 total cpu time spent up to now is 932.7 secs Computing kpt #: 263 total cpu time spent up to now is 935.8 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 938.9 secs Computing kpt #: 265 total cpu time spent up to now is 941.8 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 948.5 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 951.7 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 954.9 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 963.2 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 966.3 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 971.8 secs Computing kpt #: 272 total cpu time spent up to now is 973.4 secs Computing kpt #: 273 total cpu time spent up to now is 974.7 secs Computing kpt #: 274 total cpu time spent up to now is 975.9 secs Computing kpt #: 275 total cpu time spent up to now is 977.1 secs Computing kpt #: 276 total cpu time spent up to now is 978.3 secs Computing kpt #: 277 total cpu time spent up to now is 979.7 secs Computing kpt #: 278 total cpu time spent up to now is 980.9 secs Computing kpt #: 279 total cpu time spent up to now is 982.1 secs Computing kpt #: 280 total cpu time spent up to now is 983.2 secs Computing kpt #: 281 total cpu time spent up to now is 984.4 secs Computing kpt #: 282 total cpu time spent up to now is 985.7 secs Computing kpt #: 283 total cpu time spent up to now is 986.9 secs Computing kpt #: 284 total cpu time spent up to now is 999.5 secs Computing kpt #: 285 total cpu time spent up to now is 1000.7 secs Computing kpt #: 286 total cpu time spent up to now is 1001.8 secs Computing kpt #: 287 total cpu time spent up to now is 1003.0 secs Computing kpt #: 288 total cpu time spent up to now is 1004.4 secs Computing kpt #: 289 total cpu time spent up to now is 1012.2 secs Computing kpt #: 290 total cpu time spent up to now is 1013.4 secs Computing kpt #: 291 total cpu time spent up to now is 1014.6 secs Computing kpt #: 292 total cpu time spent up to now is 1016.0 secs Computing kpt #: 293 total cpu time spent up to now is 1017.3 secs Computing kpt #: 294 total cpu time spent up to now is 1018.4 secs Computing kpt #: 295 total cpu time spent up to now is 1019.7 secs Computing kpt #: 296 total cpu time spent up to now is 1021.1 secs Computing kpt #: 297 total cpu time spent up to now is 1022.3 secs Computing kpt #: 298 total cpu time spent up to now is 1025.1 secs Computing kpt #: 299 total cpu time spent up to now is 1026.3 secs Computing kpt #: 300 total cpu time spent up to now is 1027.8 secs Computing kpt #: 301 total cpu time spent up to now is 1033.7 secs Computing kpt #: 302 total cpu time spent up to now is 1036.6 secs Computing kpt #: 303 total cpu time spent up to now is 1038.0 secs Computing kpt #: 304 total cpu time spent up to now is 1039.4 secs Computing kpt #: 305 total cpu time spent up to now is 1040.8 secs Computing kpt #: 306 total cpu time spent up to now is 1042.3 secs Computing kpt #: 307 total cpu time spent up to now is 1044.1 secs Computing kpt #: 308 total cpu time spent up to now is 1045.8 secs Computing kpt #: 309 total cpu time spent up to now is 1047.7 secs Computing kpt #: 310 total cpu time spent up to now is 1049.3 secs Computing kpt #: 311 total cpu time spent up to now is 1051.4 secs Computing kpt #: 312 total cpu time spent up to now is 1056.7 secs Computing kpt #: 313 total cpu time spent up to now is 1059.2 secs Computing kpt #: 314 total cpu time spent up to now is 1061.5 secs Computing kpt #: 315 total cpu time spent up to now is 1064.6 secs Computing kpt #: 316 total cpu time spent up to now is 1067.2 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1070.4 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1073.5 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1081.9 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1087.5 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1093.7 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1096.9 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1100.0 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1103.4 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1106.5 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1109.7 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1118.1 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1121.3 secs ethr = 2.50E-11, avg # of iterations = 60.8 total cpu time spent up to now is 1121.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9359 -45.9359 -22.6516 -22.6516 -21.9982 -21.9982 -21.9956 -21.9956 -14.4079 -14.4079 -6.4965 -6.4965 -5.8347 -5.8347 -5.8321 -5.8321 -0.9471 -0.9471 0.9676 0.9676 0.9694 0.9694 7.9799 7.9799 8.1956 8.1956 8.1987 8.1987 9.0010 9.0010 9.0104 9.0104 9.2351 9.2351 9.7839 9.7839 9.9314 9.9314 9.9876 9.9876 12.6868 12.6868 12.6983 12.6983 12.8265 12.8265 14.8212 14.8217 k = 0.0125-0.0000-0.0000 ( 2777 PWs) bands (ev): -45.9359 -45.9359 -22.6517 -22.6516 -21.9983 -21.9983 -21.9957 -21.9956 -14.4077 -14.4077 -6.4966 -6.4964 -5.8348 -5.8345 -5.8320 -5.8320 -0.9469 -0.9465 0.9679 0.9680 0.9694 0.9703 7.9770 7.9808 8.1927 8.1939 8.1972 8.1997 8.9989 8.9991 9.0075 9.0094 9.2335 9.2349 9.7685 9.7939 9.9178 9.9417 9.9878 9.9882 12.6876 12.6882 12.6987 12.7011 12.8266 12.8285 14.8214 14.8215 k = 0.0250-0.0001-0.0001 ( 2771 PWs) bands (ev): -45.9359 -45.9359 -22.6518 -22.6516 -21.9983 -21.9983 -21.9958 -21.9956 -14.4072 -14.4072 -6.4968 -6.4964 -5.8348 -5.8342 -5.8319 -5.8319 -0.9460 -0.9453 0.9689 0.9690 0.9704 0.9721 7.9719 7.9795 8.1844 8.1892 8.1960 8.1986 8.9929 8.9932 9.0007 9.0044 9.2301 9.2328 9.7488 9.7969 9.9034 9.9469 9.9877 9.9902 12.6887 12.6917 12.7046 12.7072 12.8289 12.8325 14.8212 14.8216 k = 0.0375-0.0001-0.0001 ( 2768 PWs) bands (ev): -45.9359 -45.9359 -22.6519 -22.6517 -21.9984 -21.9984 -21.9959 -21.9957 -14.4063 -14.4063 -6.4971 -6.4964 -5.8348 -5.8338 -5.8316 -5.8316 -0.9445 -0.9434 0.9703 0.9705 0.9724 0.9751 7.9643 7.9760 8.1721 8.1810 8.1939 8.1962 8.9828 8.9833 8.9904 8.9956 9.2248 9.2287 9.7255 9.7915 9.8903 9.9469 9.9868 9.9932 12.6891 12.6956 12.7167 12.7183 12.8336 12.8386 14.8212 14.8220 k = 0.0500-0.0001-0.0001 ( 2766 PWs) bands (ev): -45.9358 -45.9358 -22.6521 -22.6518 -21.9987 -21.9986 -21.9960 -21.9958 -14.4051 -14.4050 -6.4975 -6.4966 -5.8347 -5.8334 -5.8312 -5.8312 -0.9422 -0.9408 0.9723 0.9725 0.9756 0.9790 7.9541 7.9698 8.1563 8.1694 8.1909 8.1929 8.9687 8.9695 8.9772 8.9833 9.2177 9.2226 9.6992 9.7768 9.8799 9.9429 9.9845 9.9955 12.6899 12.6992 12.7342 12.7351 12.8408 12.8469 14.8208 14.8217 k = 0.0625-0.0002-0.0002 ( 2764 PWs) bands (ev): -45.9358 -45.9358 -22.6523 -22.6520 -21.9990 -21.9989 -21.9961 -21.9959 -14.4035 -14.4034 -6.4981 -6.4970 -5.8343 -5.8328 -5.8307 -5.8305 -0.9393 -0.9375 0.9747 0.9750 0.9797 0.9839 7.9405 7.9603 8.1377 8.1549 8.1868 8.1887 8.9509 8.9520 8.9613 8.9678 9.2087 9.2144 9.6703 9.7541 9.8715 9.9362 9.9805 9.9954 12.6914 12.7028 12.7567 12.7570 12.8508 12.8577 14.8205 14.8216 k = 0.0750-0.0002-0.0002 ( 2767 PWs) bands (ev): -45.9358 -45.9358 -22.6526 -22.6522 -21.9996 -21.9994 -21.9962 -21.9960 -14.4016 -14.4015 -6.4990 -6.4977 -5.8338 -5.8321 -5.8299 -5.8297 -0.9358 -0.9337 0.9777 0.9780 0.9849 0.9898 7.9232 7.9467 8.1173 8.1383 8.1817 8.1835 8.9298 8.9312 8.9430 8.9494 9.1977 9.2040 9.6392 9.7253 9.8635 9.9276 9.9745 9.9924 12.6940 12.7066 12.7836 12.7838 12.8639 12.8711 14.8203 14.8215 k = 0.0875-0.0002-0.0002 ( 2760 PWs) bands (ev): -45.9358 -45.9358 -22.6529 -22.6525 -22.0001 -21.9999 -21.9963 -21.9961 -14.3993 -14.3993 -6.5002 -6.4986 -5.8330 -5.8313 -5.8290 -5.8284 -0.9317 -0.9292 0.9812 0.9815 0.9910 0.9966 7.9014 7.9279 8.0964 8.1205 8.1755 8.1773 8.9060 8.9075 8.9225 8.9284 9.1848 9.1915 9.6063 9.6922 9.8549 9.9173 9.9664 9.9859 12.6976 12.7109 12.8147 12.8150 12.8804 12.8878 14.8199 14.8214 k = 0.1000-0.0003-0.0003 ( 2754 PWs) bands (ev): -45.9358 -45.9358 -22.6532 -22.6527 -22.0008 -22.0005 -21.9963 -21.9961 -14.3968 -14.3967 -6.5018 -6.5001 -5.8319 -5.8305 -5.8277 -5.8266 -0.9270 -0.9242 0.9852 0.9855 0.9980 1.0044 7.8746 7.9029 8.0764 8.1023 8.1682 8.1700 8.8799 8.8813 8.9000 8.9052 9.1699 9.1768 9.5717 9.6558 9.8451 9.9056 9.9560 9.9759 12.7021 12.7156 12.8494 12.8502 12.9006 12.9081 14.8196 14.8213 k = 0.1125-0.0003-0.0003 ( 2758 PWs) bands (ev): -45.9357 -45.9357 -22.6536 -22.6531 -22.0017 -22.0013 -21.9963 -21.9961 -14.3939 -14.3939 -6.5040 -6.5020 -5.8307 -5.8296 -5.8259 -5.8242 -0.9217 -0.9186 0.9896 0.9899 1.0059 1.0129 7.8423 7.8710 8.0579 8.0842 8.1597 8.1615 8.8520 8.8530 8.8760 8.8800 9.1532 9.1602 9.5356 9.6167 9.8337 9.8927 9.9434 9.9627 12.7074 12.7206 12.8871 12.8891 12.9248 12.9328 14.8192 14.8211 k = 0.1250-0.0003-0.0003 ( 2752 PWs) bands (ev): -45.9357 -45.9357 -22.6540 -22.6535 -22.0026 -22.0022 -21.9963 -21.9961 -14.3908 -14.3907 -6.5067 -6.5046 -5.8294 -5.8286 -5.8233 -5.8211 -0.9159 -0.9125 0.9945 0.9948 1.0146 1.0223 7.8046 7.8324 8.0412 8.0667 8.1500 8.1519 8.8226 8.8230 8.8506 8.8533 9.1347 9.1417 9.4983 9.5752 9.8209 9.8786 9.9288 9.9465 12.7133 12.7259 12.9267 12.9310 12.9534 12.9629 14.8188 14.8209 k = 0.1375-0.0004-0.0004 ( 2753 PWs) bands (ev): -45.9357 -45.9357 -22.6545 -22.6539 -22.0037 -22.0031 -21.9963 -21.9961 -14.3874 -14.3873 -6.5101 -6.5078 -5.8281 -5.8275 -5.8199 -5.8172 -0.9097 -0.9060 0.9998 1.0001 1.0241 1.0324 7.7616 7.7878 8.0261 8.0499 8.1390 8.1410 8.7917 8.7922 8.8244 8.8255 9.1147 9.1215 9.4599 9.5318 9.8066 9.8634 9.9124 9.9276 12.7196 12.7314 12.9667 12.9743 12.9878 12.9995 14.8184 14.8206 k = 0.1500-0.0004-0.0004 ( 2755 PWs) bands (ev): -45.9356 -45.9356 -22.6550 -22.6544 -22.0048 -22.0042 -21.9962 -21.9961 -14.3838 -14.3837 -6.5142 -6.5118 -5.8269 -5.8264 -5.8155 -5.8124 -0.9030 -0.8991 1.0055 1.0058 1.0342 1.0431 7.7139 7.7379 8.0118 8.0336 8.1266 8.1287 8.7595 8.7610 8.7969 8.7975 9.0933 9.0998 9.4204 9.4866 9.7911 9.8472 9.8946 9.9066 12.7261 12.7370 13.0068 13.0154 13.0309 13.0427 14.8179 14.8204 k = 0.1625-0.0004-0.0004 ( 2751 PWs) bands (ev): -45.9356 -45.9356 -22.6555 -22.6548 -22.0059 -22.0053 -21.9962 -21.9961 -14.3800 -14.3799 -6.5191 -6.5166 -5.8256 -5.8253 -5.8100 -5.8066 -0.8960 -0.8918 1.0115 1.0118 1.0451 1.0545 7.6620 7.6837 7.9981 8.0176 8.1128 8.1150 8.7267 8.7295 8.7678 8.7704 9.0707 9.0769 9.3802 9.4401 9.7743 9.8300 9.8756 9.8839 12.7326 12.7427 13.0480 13.0562 13.0804 13.0909 14.8174 14.8201 k = 0.1750-0.0005-0.0005 ( 2755 PWs) bands (ev): -45.9356 -45.9356 -22.6561 -22.6554 -22.0072 -22.0065 -21.9961 -21.9960 -14.3759 -14.3758 -6.5249 -6.5222 -5.8244 -5.8241 -5.8035 -5.7999 -0.8886 -0.8842 1.0179 1.0181 1.0565 1.0664 7.6064 7.6261 7.9844 8.0017 8.0976 8.0999 8.6936 8.6978 8.7386 8.7432 9.0472 9.0529 9.3394 9.3925 9.7566 9.8119 9.8558 9.8601 12.7392 12.7484 13.0913 13.0994 13.1330 13.1425 14.8168 14.8197 k = 0.1875-0.0005-0.0005 ( 2755 PWs) bands (ev): -45.9355 -45.9355 -22.6566 -22.6559 -22.0085 -22.0077 -21.9961 -21.9960 -14.3717 -14.3716 -6.5314 -6.5287 -5.8231 -5.8229 -5.7960 -5.7922 -0.8810 -0.8763 1.0245 1.0248 1.0685 1.0789 7.5480 7.5656 7.9705 7.9857 8.0810 8.0834 8.6605 8.6663 8.7096 8.7162 9.0229 9.0282 9.2981 9.3440 9.7379 9.7927 9.8353 9.8357 12.7458 12.7541 13.1370 13.1453 13.1875 13.1965 14.8162 14.8193 k = 0.2000-0.0005-0.0005 ( 2755 PWs) bands (ev): -45.9355 -45.9355 -22.6572 -22.6565 -22.0098 -22.0090 -21.9960 -21.9959 -14.3674 -14.3672 -6.5388 -6.5361 -5.8217 -5.8216 -5.7874 -5.7835 -0.8731 -0.8683 1.0314 1.0317 1.0809 1.0917 7.4871 7.5029 7.9562 7.9694 8.0630 8.0655 8.6276 8.6351 8.6809 8.6896 8.9983 9.0030 9.2565 9.2952 9.7186 9.7724 9.8114 9.8145 12.7523 12.7599 13.1852 13.1937 13.2435 13.2522 14.8155 14.8188 k = 0.2125-0.0005-0.0005 ( 2748 PWs) bands (ev): -45.9355 -45.9355 -22.6578 -22.6570 -22.0111 -22.0103 -21.9959 -21.9958 -14.3629 -14.3628 -6.5470 -6.5442 -5.8204 -5.8203 -5.7778 -5.7738 -0.8651 -0.8601 1.0385 1.0388 1.0938 1.1048 7.4244 7.4386 7.9413 7.9528 8.0437 8.0462 8.5952 8.6045 8.6528 8.6636 8.9734 8.9775 9.2151 9.2464 9.6987 9.7509 9.7877 9.7936 12.7587 12.7656 13.2355 13.2443 13.3006 13.3090 14.8148 14.8183 k = 0.2250-0.0006-0.0006 ( 2745 PWs) bands (ev): -45.9354 -45.9354 -22.6584 -22.6576 -22.0125 -22.0117 -21.9958 -21.9957 -14.3583 -14.3582 -6.5559 -6.5531 -5.8191 -5.8189 -5.7673 -5.7632 -0.8569 -0.8518 1.0458 1.0461 1.1069 1.1182 7.3605 7.3732 7.9259 7.9358 8.0231 8.0257 8.5634 8.5746 8.6253 8.6381 8.9485 8.9519 9.1739 9.1979 9.6784 9.7281 9.7651 9.7728 12.7651 12.7714 13.2876 13.2965 13.3583 13.3666 14.8140 14.8177 k = 0.2375-0.0006-0.0006 ( 2749 PWs) bands (ev): -45.9354 -45.9354 -22.6590 -22.6583 -22.0139 -22.0130 -21.9958 -21.9957 -14.3537 -14.3535 -6.5655 -6.5627 -5.8177 -5.8176 -5.7559 -5.7518 -0.8486 -0.8434 1.0532 1.0535 1.1203 1.1318 7.2957 7.3071 7.9098 7.9182 8.0014 8.0041 8.5325 8.5456 8.5985 8.6133 8.9239 8.9265 9.1333 9.1503 9.6579 9.7043 9.7437 9.7522 12.7714 12.7771 13.3410 13.3501 13.4164 13.4246 14.8132 14.8170 k = 0.2500-0.0006-0.0006 ( 2747 PWs) bands (ev): -45.9353 -45.9353 -22.6597 -22.6589 -22.0152 -22.0144 -21.9957 -21.9956 -14.3490 -14.3488 -6.5756 -6.5729 -5.8163 -5.8162 -5.7437 -5.7396 -0.8403 -0.8350 1.0606 1.0609 1.1338 1.1455 7.2307 7.2410 7.8932 7.9003 7.9788 7.9815 8.5026 8.5175 8.5724 8.5890 8.8997 8.9014 9.0936 9.1038 9.6373 9.6799 9.7234 9.7320 12.7775 12.7828 13.3953 13.4045 13.4744 13.4826 14.8123 14.8163 k = 0.2625-0.0007-0.0007 ( 2747 PWs) bands (ev): -45.9353 -45.9353 -22.6603 -22.6595 -22.0166 -22.0158 -21.9956 -21.9955 -14.3443 -14.3441 -6.5862 -6.5836 -5.8150 -5.8149 -5.7308 -5.7268 -0.8321 -0.8267 1.0681 1.0685 1.1474 1.1591 7.1658 7.1751 7.8761 7.8819 7.9555 7.9582 8.4737 8.4904 8.5470 8.5653 8.8761 8.8769 9.0551 9.0590 9.6168 9.6553 9.7040 9.7122 12.7836 12.7884 13.4501 13.4593 13.5322 13.5404 14.8113 14.8155 k = 0.2750-0.0007-0.0007 ( 2745 PWs) bands (ev): -45.9353 -45.9353 -22.6609 -22.6601 -22.0180 -22.0171 -21.9955 -21.9954 -14.3396 -14.3395 -6.5972 -6.5946 -5.8136 -5.8135 -5.7175 -5.7135 -0.8239 -0.8185 1.0757 1.0760 1.1609 1.1727 7.1016 7.1099 7.8586 7.8632 7.9317 7.9343 8.4460 8.4643 8.5223 8.5420 8.8530 8.8534 9.0163 9.0180 9.5965 9.6310 9.6854 9.6931 12.7896 12.7940 13.5050 13.5142 13.5893 13.5974 14.8102 14.8145 k = 0.2875-0.0007-0.0007 ( 2751 PWs) bands (ev): -45.9352 -45.9352 -22.6616 -22.6608 -22.0194 -22.0185 -21.9954 -21.9954 -14.3350 -14.3348 -6.6084 -6.6059 -5.8123 -5.8122 -5.7037 -5.6998 -0.8158 -0.8105 1.0831 1.0834 1.1744 1.1861 7.0383 7.0459 7.8408 7.8443 7.9076 7.9101 8.4196 8.4394 8.4982 8.5189 8.8299 8.8316 8.9761 8.9826 9.5765 9.6072 9.6675 9.6745 12.7954 12.7995 13.5596 13.5686 13.6455 13.6536 14.8090 14.8135 k = 0.3000-0.0008-0.0008 ( 2749 PWs) bands (ev): -45.9352 -45.9352 -22.6621 -22.6614 -22.0207 -22.0199 -21.9954 -21.9953 -14.3304 -14.3303 -6.6197 -6.6173 -5.8109 -5.8109 -5.6897 -5.6859 -0.8079 -0.8027 1.0905 1.0908 1.1877 1.1993 6.9765 6.9834 7.8228 7.8253 7.8834 7.8859 8.3945 8.4156 8.4747 8.4961 8.8076 8.8108 8.9387 8.9492 9.5571 9.5841 9.6504 9.6567 12.8012 12.8049 13.6135 13.6223 13.7005 13.7085 14.8077 14.8123 k = 0.3125-0.0008-0.0008 ( 2753 PWs) bands (ev): -45.9351 -45.9351 -22.6628 -22.6620 -22.0219 -22.0212 -21.9953 -21.9952 -14.3260 -14.3258 -6.6310 -6.6288 -5.8097 -5.8096 -5.6755 -5.6719 -0.8002 -0.7951 1.0977 1.0980 1.2007 1.2121 6.9165 6.9227 7.8047 7.8064 7.8595 7.8619 8.3707 8.3930 8.4518 8.4735 8.7862 8.7910 8.9044 8.9179 9.5382 9.5620 9.6340 9.6396 12.8067 12.8101 13.6662 13.6748 13.7539 13.7619 14.8063 14.8111 k = 0.3250-0.0008-0.0008 ( 2754 PWs) bands (ev): -45.9351 -45.9351 -22.6633 -22.6626 -22.0232 -22.0224 -21.9952 -21.9952 -14.3217 -14.3215 -6.6423 -6.6401 -5.8084 -5.8084 -5.6614 -5.6580 -0.7928 -0.7878 1.1047 1.1050 1.2134 1.2245 6.8586 6.8642 7.7869 7.7878 7.8361 7.8382 8.3483 8.3715 8.4296 8.4509 8.7659 8.7724 8.8735 8.8889 9.5201 9.5408 9.6185 9.6234 12.8121 12.8152 13.7175 13.7259 13.8055 13.8134 14.8049 14.8097 k = 0.3375-0.0009-0.0009 ( 2754 PWs) bands (ev): -45.9351 -45.9351 -22.6639 -22.6632 -22.0243 -22.0236 -21.9951 -21.9951 -14.3175 -14.3174 -6.6533 -6.6513 -5.8072 -5.8072 -5.6475 -5.6442 -0.7856 -0.7808 1.1114 1.1117 1.2257 1.2364 6.8032 6.8083 7.7693 7.7696 7.8133 7.8153 8.3272 8.3512 8.4080 8.4285 8.7465 8.7548 8.8461 8.8624 9.5028 9.5208 9.6038 9.6081 12.8172 12.8200 13.7670 13.7750 13.8551 13.8629 14.8033 14.8082 k = 0.3500-0.0009-0.0009 ( 2756 PWs) bands (ev): -45.9350 -45.9350 -22.6644 -22.6638 -22.0255 -22.0248 -21.9951 -21.9950 -14.3135 -14.3134 -6.6639 -6.6621 -5.8061 -5.8061 -5.6340 -5.6309 -0.7788 -0.7742 1.1179 1.1182 1.2375 1.2477 6.7506 6.7553 7.7520 7.7522 7.7914 7.7932 8.3076 8.3320 8.3873 8.4064 8.7282 8.7383 8.8221 8.8384 9.4864 9.5019 9.5899 9.5938 12.8221 12.8247 13.8143 13.8220 13.9024 13.9100 14.8017 14.8065 k = 0.3625-0.0009-0.0009 ( 2756 PWs) bands (ev): -45.9350 -45.9350 -22.6649 -22.6643 -22.0265 -22.0259 -21.9950 -21.9950 -14.3098 -14.3097 -6.6741 -6.6724 -5.8050 -5.8050 -5.6209 -5.6180 -0.7724 -0.7680 1.1240 1.1243 1.2486 1.2583 6.7012 6.7054 7.7351 7.7358 7.7706 7.7721 8.2894 8.3141 8.3674 8.3847 8.7112 8.7228 8.8014 8.8169 9.4711 9.4843 9.5770 9.5804 12.8268 12.8291 13.8592 13.8664 13.9471 13.9544 14.8000 14.8048 k = 0.3750-0.0010-0.0010 ( 2762 PWs) bands (ev): -45.9350 -45.9350 -22.6654 -22.6648 -22.0275 -22.0269 -21.9949 -21.9949 -14.3063 -14.3062 -6.6838 -6.6822 -5.8040 -5.8040 -5.6085 -5.6058 -0.7664 -0.7623 1.1298 1.1301 1.2592 1.2683 6.6551 6.6588 7.7192 7.7201 7.7511 7.7523 8.2727 8.2973 8.3486 8.3637 8.6956 8.7083 8.7837 8.7980 9.4568 9.4681 9.5651 9.5680 12.8311 12.8332 13.9013 13.9081 13.9890 13.9961 14.7983 14.8030 k = 0.3875-0.0010-0.0010 ( 2765 PWs) bands (ev): -45.9350 -45.9350 -22.6658 -22.6653 -22.0284 -22.0279 -21.9949 -21.9949 -14.3030 -14.3029 -6.6928 -6.6914 -5.8031 -5.8031 -5.5968 -5.5943 -0.7608 -0.7570 1.1352 1.1354 1.2690 1.2774 6.6126 6.6160 7.7043 7.7055 7.7329 7.7339 8.2575 8.2817 8.3311 8.3437 8.6814 8.6948 8.7688 8.7816 9.4436 9.4532 9.5542 9.5567 12.8352 12.8370 13.9404 13.9466 14.0278 14.0346 14.7965 14.8011 k = 0.4000-0.0010-0.0010 ( 2757 PWs) bands (ev): -45.9349 -45.9349 -22.6662 -22.6657 -22.0292 -22.0287 -21.9948 -21.9948 -14.3000 -14.2999 -6.7011 -6.6998 -5.8022 -5.8022 -5.5859 -5.5837 -0.7557 -0.7522 1.1401 1.1403 1.2780 1.2857 6.5740 6.5770 7.6906 7.6919 7.7163 7.7171 8.2439 8.2673 8.3149 8.3250 8.6689 8.6824 8.7563 8.7674 9.4317 9.4397 9.5444 9.5465 12.8389 12.8405 13.9762 13.9818 14.0634 14.0697 14.7948 14.7991 k = 0.4125-0.0011-0.0011 ( 2758 PWs) bands (ev): -45.9349 -45.9349 -22.6665 -22.6661 -22.0299 -22.0294 -21.9948 -21.9948 -14.2973 -14.2973 -6.7086 -6.7075 -5.8015 -5.8015 -5.5760 -5.5741 -0.7511 -0.7480 1.1445 1.1447 1.2862 1.2931 6.5395 6.5421 7.6782 7.6795 7.7015 7.7020 8.2320 8.2542 8.3002 8.3079 8.6580 8.6711 8.7459 8.7554 9.4211 9.4277 9.5357 9.5375 12.8422 12.8436 14.0084 14.0135 14.0955 14.1013 14.7931 14.7971 k = 0.4250-0.0011-0.0011 ( 2756 PWs) bands (ev): -45.9349 -45.9349 -22.6668 -22.6664 -22.0305 -22.0301 -21.9947 -21.9947 -14.2950 -14.2949 -6.7152 -6.7143 -5.8008 -5.8008 -5.5673 -5.5656 -0.7470 -0.7443 1.1484 1.1485 1.2935 1.2995 6.5092 6.5114 7.6673 7.6685 7.6884 7.6887 8.2217 8.2422 8.2872 8.2927 8.6488 8.6609 8.7374 8.7454 9.4118 9.4172 9.5280 9.5296 12.8451 12.8464 14.0368 14.0413 14.1240 14.1292 14.7915 14.7952 k = 0.4375-0.0011-0.0011 ( 2760 PWs) bands (ev): -45.9349 -45.9349 -22.6671 -22.6667 -22.0310 -22.0307 -21.9947 -21.9947 -14.2930 -14.2929 -6.7209 -6.7201 -5.8002 -5.8002 -5.5597 -5.5582 -0.7435 -0.7412 1.1517 1.1519 1.2998 1.3049 6.4834 6.4852 7.6579 7.6589 7.6771 7.6772 8.2133 8.2315 8.2759 8.2796 8.6413 8.6520 8.7306 8.7371 9.4039 9.4083 9.5216 9.5228 12.8477 12.8487 14.0613 14.0651 14.1485 14.1530 14.7901 14.7934 k = 0.4500-0.0012-0.0012 ( 2756 PWs) bands (ev): -45.9349 -45.9349 -22.6672 -22.6670 -22.0314 -22.0312 -21.9947 -21.9947 -14.2913 -14.2912 -6.7256 -6.7250 -5.7998 -5.7998 -5.5533 -5.5521 -0.7405 -0.7387 1.1545 1.1546 1.3052 1.3093 6.4621 6.4635 7.6502 7.6510 7.6678 7.6678 8.2067 8.2221 8.2665 8.2688 8.6355 8.6444 8.7254 8.7305 9.3975 9.4008 9.5163 9.5172 12.8498 12.8506 14.0816 14.0847 14.1690 14.1727 14.7890 14.7916 k = 0.4625-0.0012-0.0012 ( 2752 PWs) bands (ev): -45.9348 -45.9348 -22.6674 -22.6672 -22.0317 -22.0315 -21.9947 -21.9946 -14.2900 -14.2899 -6.7293 -6.7288 -5.7994 -5.7994 -5.5482 -5.5474 -0.7382 -0.7368 1.1567 1.1568 1.3095 1.3126 6.4454 6.4465 7.6441 7.6447 7.6605 7.6605 8.2020 8.2140 8.2592 8.2604 8.6313 8.6382 8.7215 8.7253 9.3925 9.3950 9.5122 9.5129 12.8515 12.8521 14.0977 14.1000 14.1852 14.1881 14.7880 14.7901 k = 0.4750-0.0012-0.0012 ( 2754 PWs) bands (ev): -45.9348 -45.9348 -22.6675 -22.6673 -22.0320 -22.0318 -21.9946 -21.9946 -14.2890 -14.2890 -6.7319 -6.7316 -5.7991 -5.7991 -5.5446 -5.5440 -0.7364 -0.7355 1.1583 1.1583 1.3128 1.3149 6.4335 6.4343 7.6397 7.6401 7.6552 7.6553 8.1993 8.2075 8.2538 8.2544 8.6286 8.6333 8.7190 8.7215 9.3891 9.3906 9.5092 9.5097 12.8528 12.8532 14.1094 14.1109 14.1970 14.1990 14.7875 14.7889 k = 0.4875-0.0013-0.0013 ( 2756 PWs) bands (ev): -45.9348 -45.9348 -22.6675 -22.6675 -22.0321 -22.0320 -21.9946 -21.9946 -14.2885 -14.2884 -6.7335 -6.7333 -5.7990 -5.7990 -5.5423 -5.5420 -0.7352 -0.7348 1.1592 1.1592 1.3150 1.3160 6.4264 6.4268 7.6371 7.6373 7.6520 7.6521 8.1985 8.2027 8.2506 8.2508 8.6275 8.6299 8.7178 8.7191 9.3871 9.3879 9.5075 9.5078 12.8536 12.8538 14.1166 14.1173 14.2044 14.2054 14.7873 14.7880 k = 0.5000-0.0013-0.0013 ( 2758 PWs) bands (ev): -45.9348 -45.9348 -22.6675 -22.6675 -22.0321 -22.0321 -21.9947 -21.9947 -14.2883 -14.2883 -6.7340 -6.7340 -5.7989 -5.7989 -5.5414 -5.5414 -0.7347 -0.7347 1.1595 1.1595 1.3160 1.3160 6.4242 6.4242 7.6363 7.6363 7.6510 7.6510 8.1996 8.1996 8.2496 8.2496 8.6280 8.6280 8.7178 8.7178 9.3867 9.3867 9.5070 9.5070 12.8539 12.8539 14.1192 14.1192 14.2072 14.2072 14.7874 14.7874 k = 0.5000-0.0013-0.0013 ( 2758 PWs) bands (ev): -45.9348 -45.9348 -22.6675 -22.6675 -22.0321 -22.0321 -21.9947 -21.9947 -14.2883 -14.2883 -6.7340 -6.7340 -5.7989 -5.7989 -5.5414 -5.5414 -0.7347 -0.7347 1.1595 1.1595 1.3160 1.3160 6.4242 6.4242 7.6363 7.6363 7.6510 7.6510 8.1996 8.1996 8.2496 8.2496 8.6280 8.6280 8.7178 8.7178 9.3867 9.3867 9.5070 9.5070 12.8539 12.8539 14.1192 14.1192 14.2072 14.2072 14.7874 14.7874 k = 0.5000 0.0076-0.0102 ( 2752 PWs) bands (ev): -45.9348 -45.9348 -22.6676 -22.6675 -22.0322 -22.0321 -21.9947 -21.9946 -14.2881 -14.2881 -6.7333 -6.7331 -5.7990 -5.7986 -5.5419 -5.5417 -0.7361 -0.7336 1.1573 1.1617 1.3146 1.3161 6.4236 6.4242 7.6305 7.6380 7.6490 7.6562 8.1819 8.2032 8.2309 8.2569 8.6207 8.6505 8.7064 8.7401 9.3700 9.3855 9.5044 9.5208 12.8538 12.8561 14.1184 14.1197 14.2067 14.2079 14.7907 14.7917 k = 0.5000 0.0165-0.0191 ( 2752 PWs) bands (ev): -45.9348 -45.9348 -22.6677 -22.6675 -22.0322 -22.0321 -21.9949 -21.9947 -14.2878 -14.2878 -6.7312 -6.7307 -5.7987 -5.7980 -5.5431 -5.5427 -0.7378 -0.7329 1.1548 1.1636 1.3119 1.3149 6.4225 6.4236 7.6234 7.6331 7.6525 7.6616 8.1516 8.1849 8.2103 8.2536 8.6288 8.6839 8.7076 8.7713 9.3421 9.3660 9.5132 9.5388 12.8560 12.8604 14.1172 14.1197 14.2064 14.2086 14.8013 14.8033 k = 0.5000 0.0254-0.0280 ( 2750 PWs) bands (ev): -45.9348 -45.9348 -22.6678 -22.6676 -22.0323 -22.0321 -21.9952 -21.9948 -14.2872 -14.2872 -6.7275 -6.7267 -5.7982 -5.7971 -5.5450 -5.5444 -0.7399 -0.7325 1.1522 1.1654 1.3080 1.3125 6.4209 6.4226 7.6155 7.6258 7.6575 7.6669 8.1109 8.1430 8.1953 8.2425 8.6492 8.7119 8.7331 8.8090 9.3077 9.3351 9.5266 9.5565 12.8604 12.8671 14.1158 14.1193 14.2063 14.2095 14.8192 14.8221 k = 0.5000 0.0342-0.0369 ( 2750 PWs) bands (ev): -45.9348 -45.9348 -22.6680 -22.6677 -22.0324 -22.0321 -21.9955 -21.9950 -14.2864 -14.2864 -6.7223 -6.7213 -5.7975 -5.7960 -5.5477 -5.5468 -0.7424 -0.7325 1.1492 1.1668 1.3029 1.3089 6.4187 6.4209 7.6065 7.6173 7.6625 7.6717 8.0624 8.0908 8.1783 8.2263 8.6784 8.7332 8.7787 8.8509 9.2693 9.2980 9.5398 9.5717 12.8673 12.8760 14.1143 14.1187 14.2064 14.2104 14.8441 14.8479 k = 0.5000 0.0431-0.0458 ( 2748 PWs) bands (ev): -45.9348 -45.9348 -22.6682 -22.6678 -22.0326 -22.0322 -21.9959 -21.9953 -14.2854 -14.2854 -6.7156 -6.7144 -5.7964 -5.7945 -5.5510 -5.5499 -0.7453 -0.7330 1.1458 1.1676 1.2968 1.3042 6.4161 6.4188 7.5962 7.6076 7.6672 7.6762 8.0085 8.0335 8.1593 8.2069 8.7135 8.7603 8.8279 8.8953 9.2280 9.2571 9.5506 9.5835 12.8770 12.8876 14.1130 14.1180 14.2068 14.2113 14.8756 14.8803 k = 0.5000 0.0520-0.0547 ( 2748 PWs) bands (ev): -45.9348 -45.9348 -22.6685 -22.6680 -22.0327 -22.0323 -21.9964 -21.9957 -14.2841 -14.2841 -6.7074 -6.7060 -5.7951 -5.7928 -5.5549 -5.5537 -0.7486 -0.7339 1.1419 1.1678 1.2898 1.2986 6.4130 6.4163 7.5843 7.5966 7.6715 7.6801 7.9511 7.9739 8.1393 8.1860 8.7525 8.7927 8.8778 8.9407 9.1847 9.2140 9.5580 9.5914 12.8895 12.9018 14.1119 14.1173 14.2074 14.2123 14.9134 14.9189 k = 0.5000 0.0609-0.0636 ( 2750 PWs) bands (ev): -45.9348 -45.9348 -22.6688 -22.6682 -22.0329 -22.0324 -21.9970 -21.9961 -14.2827 -14.2826 -6.6977 -6.6961 -5.7935 -5.7909 -5.5595 -5.5580 -0.7524 -0.7354 1.1371 1.1668 1.2823 1.2923 6.4095 6.4133 7.5702 7.5838 7.6752 7.6834 7.8920 7.9138 8.1190 8.1647 8.7942 8.8290 8.9268 8.9855 9.1406 9.1702 9.5618 9.5953 12.9051 12.9191 14.1112 14.1168 14.2083 14.2135 14.9570 14.9631 k = 0.5000 0.0698-0.0725 ( 2750 PWs) bands (ev): -45.9347 -45.9347 -22.6691 -22.6685 -22.0331 -22.0326 -21.9976 -21.9967 -14.2810 -14.2810 -6.6866 -6.6847 -5.7917 -5.7887 -5.5645 -5.5629 -0.7568 -0.7376 1.1313 1.1644 1.2746 1.2853 6.4057 6.4100 7.5533 7.5684 7.6781 7.6859 7.8331 7.8552 8.0991 8.1437 8.8374 8.8680 8.9726 9.0261 9.0982 9.1295 9.5619 9.5951 12.9240 12.9394 14.1110 14.1167 14.2097 14.2150 15.0059 15.0127 k = 0.5000 0.0787-0.0814 ( 2750 PWs) bands (ev): -45.9347 -45.9347 -22.6695 -22.6688 -22.0333 -22.0327 -21.9984 -21.9973 -14.2791 -14.2791 -6.6741 -6.6720 -5.7895 -5.7862 -5.5701 -5.5683 -0.7618 -0.7404 1.1243 1.1600 1.2670 1.2780 6.4016 6.4063 7.5324 7.5494 7.6800 7.6874 7.7763 7.7997 8.0800 8.1235 8.8805 8.9073 9.0045 9.0414 9.0720 9.1118 9.5582 9.5910 12.9464 12.9630 14.1114 14.1171 14.2114 14.2167 15.0598 15.0671 k = 0.5000 0.0875-0.0903 ( 2752 PWs) bands (ev): -45.9347 -45.9347 -22.6699 -22.6691 -22.0336 -22.0329 -21.9992 -21.9980 -14.2770 -14.2770 -6.6601 -6.6578 -5.7872 -5.7835 -5.5760 -5.5741 -0.7675 -0.7439 1.1158 1.1532 1.2600 1.2705 6.3974 6.4024 7.5064 7.5250 7.6807 7.6876 7.7244 7.7492 8.0620 8.1045 8.9181 8.9365 8.9996 9.0175 9.0917 9.1395 9.5511 9.5832 12.9723 12.9899 14.1124 14.1181 14.2137 14.2190 15.1181 15.1259 k = 0.5000 0.0964-0.0993 ( 2742 PWs) bands (ev): -45.9346 -45.9346 -22.6703 -22.6695 -22.0338 -22.0331 -22.0000 -21.9987 -14.2747 -14.2747 -6.6448 -6.6423 -5.7846 -5.7806 -5.5824 -5.5802 -0.7739 -0.7483 1.1056 1.1437 1.2536 1.2629 6.3929 6.3983 7.4743 7.4933 7.6783 7.6799 7.6869 7.7059 8.0452 8.0867 8.9180 8.9269 9.0125 9.0189 9.1318 9.1794 9.5410 9.5721 13.0017 13.0202 14.1142 14.1197 14.2167 14.2218 15.1804 15.1886 k = 0.5000 0.1053-0.1082 ( 2744 PWs) bands (ev): -45.9346 -45.9346 -22.6708 -22.6699 -22.0341 -22.0333 -22.0009 -21.9995 -14.2723 -14.2722 -6.6282 -6.6254 -5.7817 -5.7775 -5.5890 -5.5867 -0.7812 -0.7536 1.0935 1.1314 1.2477 1.2556 6.3884 6.3941 7.4360 7.4537 7.6431 7.6642 7.6795 7.6857 8.0298 8.0703 8.8764 8.8917 9.0470 9.0610 9.1743 9.2204 9.5283 9.5583 13.0346 13.0538 14.1168 14.1221 14.2203 14.2253 15.2463 15.2549 k = 0.5000 0.1142-0.1171 ( 2742 PWs) bands (ev): -45.9346 -45.9346 -22.6713 -22.6703 -22.0344 -22.0335 -22.0019 -22.0004 -14.2696 -14.2696 -6.6102 -6.6073 -5.7787 -5.7741 -5.5958 -5.5934 -0.7893 -0.7598 1.0795 1.1164 1.2418 1.2489 6.3839 6.3897 7.3926 7.4078 7.6144 7.6343 7.6748 7.6806 8.0157 8.0554 8.8298 8.8458 9.0925 9.1076 9.2163 9.2608 9.5136 9.5423 13.0709 13.0906 14.1202 14.1253 14.2247 14.2295 15.3155 15.3243 k = 0.5000 0.1231-0.1260 ( 2740 PWs) bands (ev): -45.9345 -45.9345 -22.6718 -22.6708 -22.0347 -22.0337 -22.0029 -22.0013 -14.2668 -14.2668 -6.5910 -6.5879 -5.7754 -5.7705 -5.6028 -5.6002 -0.7983 -0.7670 1.0635 1.0989 1.2351 1.2429 6.3793 6.3853 7.3460 7.3582 7.5910 7.6080 7.6686 7.6741 8.0028 8.0418 8.7823 8.7975 9.1407 9.1558 9.2571 9.3000 9.4979 9.5249 13.1104 13.1305 14.1246 14.1293 14.2299 14.2345 15.3875 15.3966 k = 0.5000 0.1319-0.1349 ( 2744 PWs) bands (ev): -45.9345 -45.9345 -22.6724 -22.6713 -22.0350 -22.0340 -22.0040 -22.0023 -14.2638 -14.2638 -6.5706 -6.5673 -5.7718 -5.7667 -5.6098 -5.6071 -0.8082 -0.7752 1.0457 1.0794 1.2274 1.2374 6.3749 6.3810 7.2982 7.3074 7.5706 7.5847 7.6604 7.6655 7.9911 8.0295 8.7349 8.7487 9.1897 9.2047 9.2966 9.3376 9.4819 9.5067 13.1529 13.1733 14.1299 14.1344 14.2360 14.2405 15.4621 15.4713 k = 0.5000 0.1408-0.1438 ( 2744 PWs) bands (ev): -45.9345 -45.9345 -22.6730 -22.6719 -22.0353 -22.0343 -22.0051 -22.0034 -14.2607 -14.2607 -6.5490 -6.5455 -5.7681 -5.7627 -5.6168 -5.6140 -0.8191 -0.7845 1.0260 1.0580 1.2186 1.2316 6.3706 6.3766 7.2509 7.2575 7.5518 7.5632 7.6500 7.6548 7.9803 8.0182 8.6880 8.7003 9.2390 9.2539 9.3345 9.3727 9.4673 9.4890 13.1982 13.2187 14.1361 14.1403 14.2431 14.2474 15.5388 15.5481 k = 0.5000 0.1497-0.1527 ( 2746 PWs) bands (ev): -45.9344 -45.9344 -22.6737 -22.6724 -22.0357 -22.0346 -22.0063 -22.0045 -14.2575 -14.2574 -6.5262 -6.5226 -5.7642 -5.7586 -5.6237 -5.6208 -0.8310 -0.7948 1.0048 1.0350 1.2088 1.2250 6.3665 6.3723 7.2053 7.2096 7.5335 7.5427 7.6372 7.6418 7.9703 8.0079 8.6419 8.6524 9.2881 9.3031 9.3703 9.4020 9.4575 9.4737 13.2460 13.2665 14.1434 14.1474 14.2511 14.2553 15.6173 15.6267 k = 0.5000 0.1586-0.1616 ( 2750 PWs) bands (ev): -45.9344 -45.9344 -22.6743 -22.6730 -22.0361 -22.0349 -22.0076 -22.0057 -14.2541 -14.2541 -6.5024 -6.4986 -5.7601 -5.7542 -5.6305 -5.6275 -0.8439 -0.8063 0.9820 1.0107 1.1979 1.2171 6.3626 6.3681 7.1623 7.1647 7.5149 7.5224 7.6222 7.6267 7.9608 7.9984 8.5967 8.6054 9.3365 9.3518 9.4008 9.4165 9.4550 9.4723 13.2960 13.3164 14.1518 14.1555 14.2601 14.2641 15.6974 15.7068 k = 0.5000 0.1675-0.1705 ( 2750 PWs) bands (ev): -45.9343 -45.9343 -22.6750 -22.6737 -22.0364 -22.0353 -22.0089 -22.0069 -14.2506 -14.2506 -6.4776 -6.4736 -5.7559 -5.7498 -5.6371 -5.6340 -0.8578 -0.8189 0.9579 0.9852 1.1855 1.2077 6.3588 6.3639 7.1223 7.1240 7.4954 7.5021 7.6050 7.6096 7.9518 7.9895 8.5525 8.5593 9.3833 9.3987 9.4088 9.4253 9.4601 9.4967 13.3479 13.3682 14.1613 14.1647 14.2701 14.2740 15.7788 15.7882 k = 0.5000 0.1764-0.1794 ( 2748 PWs) bands (ev): -45.9343 -45.9343 -22.6757 -22.6743 -22.0368 -22.0356 -22.0102 -22.0081 -14.2470 -14.2470 -6.4518 -6.4477 -5.7515 -5.7451 -5.6434 -5.6402 -0.8728 -0.8326 0.9327 0.9586 1.1715 1.1965 6.3552 6.3599 7.0853 7.0883 7.4744 7.4815 7.5858 7.5905 7.9432 7.9812 8.5093 8.5141 9.4000 9.4177 9.4351 9.4481 9.4869 9.5277 13.4014 13.4214 14.1718 14.1751 14.2812 14.2849 15.8612 15.8705 k = 0.5000 0.1852-0.1883 ( 2750 PWs) bands (ev): -45.9342 -45.9342 -22.6764 -22.6750 -22.0372 -22.0359 -22.0115 -22.0094 -14.2433 -14.2433 -6.4251 -6.4209 -5.7470 -5.7404 -5.6493 -5.6461 -0.8887 -0.8473 0.9064 0.9311 1.1557 1.1833 6.3518 6.3558 7.0524 7.0575 7.4516 7.4599 7.5647 7.5699 7.9349 7.9733 8.4671 8.4701 9.3962 9.4140 9.4783 9.4926 9.5201 9.5601 13.4561 13.4759 14.1835 14.1866 14.2931 14.2968 15.9442 15.9534 k = 0.5000 0.1941-0.1972 ( 2746 PWs) bands (ev): -45.9342 -45.9342 -22.6771 -22.6756 -22.0375 -22.0363 -22.0129 -22.0107 -14.2395 -14.2395 -6.3975 -6.3932 -5.7423 -5.7356 -5.6549 -5.6516 -0.9055 -0.8632 0.8792 0.9029 1.1379 1.1680 6.3483 6.3517 7.0241 7.0315 7.4270 7.4370 7.5420 7.5478 7.9268 7.9660 8.4258 8.4272 9.3952 9.4114 9.5214 9.5330 9.5572 9.5933 13.5119 13.5312 14.1964 14.1992 14.3061 14.3097 16.0277 16.0368 k = 0.5000 0.2030-0.2061 ( 2746 PWs) bands (ev): -45.9341 -45.9341 -22.6778 -22.6763 -22.0379 -22.0366 -22.0143 -22.0121 -14.2357 -14.2357 -6.3692 -6.3648 -5.7375 -5.7306 -5.6599 -5.6566 -0.9233 -0.8800 0.8513 0.8740 1.1180 1.1503 6.3449 6.3475 7.0008 7.0105 7.4003 7.4124 7.5181 7.5247 7.9190 7.9590 8.3851 8.3862 9.3979 9.4125 9.5622 9.5681 9.5983 9.6273 13.5683 13.5872 14.2104 14.2130 14.3199 14.3235 16.1112 16.1202 k = 0.5000 0.2119-0.2150 ( 2756 PWs) bands (ev): -45.9341 -45.9341 -22.6786 -22.6771 -22.0383 -22.0370 -22.0157 -22.0135 -14.2318 -14.2318 -6.3402 -6.3357 -5.7327 -5.7257 -5.6645 -5.6612 -0.9420 -0.8978 0.8228 0.8447 1.0960 1.1302 6.3412 6.3433 6.9823 6.9947 7.3717 7.3859 7.4931 7.5008 7.9115 7.9525 8.3449 8.3473 9.4048 9.4178 9.5983 9.6017 9.6410 9.6624 13.6250 13.6436 14.2255 14.2280 14.3347 14.3382 16.1946 16.2034 k = 0.5000 0.2208-0.2239 ( 2746 PWs) bands (ev): -45.9340 -45.9340 -22.6793 -22.6778 -22.0387 -22.0374 -22.0171 -22.0148 -14.2279 -14.2278 -6.3106 -6.3061 -5.7278 -5.7206 -5.6684 -5.6652 -0.9615 -0.9166 0.7937 0.8149 1.0717 1.1077 6.3373 6.3389 6.9687 6.9841 7.3414 7.3576 7.4672 7.4763 7.9042 7.9463 8.3064 8.3102 9.4158 9.4273 9.6288 9.6364 9.6835 9.6986 13.6819 13.7000 14.2417 14.2440 14.3502 14.3537 16.2775 16.2862 k = 0.5000 0.2297-0.2328 ( 2746 PWs) bands (ev): -45.9339 -45.9339 -22.6801 -22.6785 -22.0391 -22.0377 -22.0185 -22.0162 -14.2239 -14.2239 -6.2805 -6.2759 -5.7229 -5.7156 -5.6718 -5.6687 -0.9818 -0.9363 0.7643 0.7848 1.0452 1.0829 6.3329 6.3343 6.9598 6.9783 7.3096 7.3279 7.4404 7.4512 7.8971 7.9404 8.2699 8.2750 9.4309 9.4411 9.6578 9.6689 9.7252 9.7356 13.7387 13.7562 14.2590 14.2611 14.3666 14.3700 16.3595 16.3681 k = 0.5000 0.2385-0.2417 ( 2744 PWs) bands (ev): -45.9339 -45.9339 -22.6808 -22.6793 -22.0395 -22.0381 -22.0199 -22.0176 -14.2199 -14.2199 -6.2499 -6.2452 -5.7180 -5.7106 -5.6744 -5.6715 -1.0029 -0.9567 0.7347 0.7545 1.0166 1.0556 6.3278 6.3296 6.9551 6.9769 7.2770 7.2975 7.4125 7.4254 7.8901 7.9347 8.2359 8.2421 9.4500 9.4589 9.6859 9.6993 9.7657 9.7728 13.7951 13.8120 14.2774 14.2793 14.3837 14.3871 16.4402 16.4487 k = 0.5000 0.2474-0.2506 ( 2740 PWs) bands (ev): -45.9338 -45.9338 -22.6816 -22.6800 -22.0398 -22.0385 -22.0213 -22.0190 -14.2159 -14.2159 -6.2189 -6.2142 -5.7132 -5.7056 -5.6763 -5.6736 -1.0245 -0.9780 0.7049 0.7241 0.9858 1.0261 6.3223 6.3244 6.9537 6.9792 7.2447 7.2674 7.3836 7.3989 7.8832 7.9291 8.2047 8.2119 9.4727 9.4805 9.7135 9.7282 9.8049 9.8096 13.8508 13.8672 14.2967 14.2984 14.4014 14.4048 16.5193 16.5278 k = 0.5000 0.2563-0.2596 ( 2738 PWs) bands (ev): -45.9338 -45.9338 -22.6823 -22.6807 -22.0402 -22.0389 -22.0228 -22.0204 -14.2120 -14.2119 -6.1877 -6.1829 -5.7085 -5.7008 -5.6774 -5.6750 -1.0468 -0.9999 0.6751 0.6937 0.9531 0.9944 6.3161 6.3187 6.9546 6.9838 7.2138 7.2389 7.3535 7.3717 7.8764 7.9235 8.1768 8.1848 9.4987 9.5055 9.7405 9.7560 9.8426 9.8456 13.9058 13.9216 14.3169 14.3185 14.4197 14.4231 16.5963 16.6048 k = 0.5000 0.2652-0.2685 ( 2742 PWs) bands (ev): -45.9337 -45.9337 -22.6831 -22.6815 -22.0406 -22.0393 -22.0242 -22.0218 -14.2080 -14.2080 -6.1562 -6.1515 -5.7040 -5.6963 -5.6776 -5.6755 -1.0695 -1.0224 0.6454 0.6634 0.9186 0.9608 6.3094 6.3123 6.9559 6.9883 7.1867 7.2141 7.3220 7.3441 7.8697 7.9179 8.1524 8.1611 9.5278 9.5337 9.7671 9.7829 9.8787 9.8806 13.9597 13.9749 14.3379 14.3394 14.4386 14.4419 16.6705 16.6792 k = 0.5000 0.2741-0.2774 ( 2746 PWs) bands (ev): -45.9337 -45.9337 -22.6838 -22.6823 -22.0410 -22.0397 -22.0256 -22.0233 -14.2041 -14.2041 -6.1247 -6.1199 -5.6999 -5.6922 -5.6770 -5.6750 -1.0927 -1.0455 0.6158 0.6334 0.8825 0.9253 6.3020 6.3051 6.9551 6.9890 7.1662 7.1957 7.2892 7.3166 7.8632 7.9123 8.1317 8.1408 9.5595 9.5646 9.7935 9.8093 9.9132 9.9145 14.0125 14.0270 14.3597 14.3611 14.4578 14.4611 16.7414 16.7504 k = 0.5000 0.2830-0.2863 ( 2748 PWs) bands (ev): -45.9336 -45.9336 -22.6846 -22.6831 -22.0414 -22.0401 -22.0270 -22.0247 -14.2002 -14.2002 -6.0931 -6.0884 -5.6961 -5.6885 -5.6755 -5.6732 -1.1162 -1.0690 0.5866 0.6036 0.8450 0.8883 6.2939 6.2972 6.9496 6.9820 7.1541 7.1867 7.2552 7.2909 7.8569 7.9068 8.1148 8.1240 9.5935 9.5979 9.8195 9.8351 9.9459 9.9471 14.0639 14.0778 14.3822 14.3834 14.4774 14.4807 16.8082 16.8177 k = 0.5000 0.2918-0.2952 ( 2744 PWs) bands (ev): -45.9336 -45.9336 -22.6853 -22.6838 -22.0418 -22.0405 -22.0283 -22.0260 -14.1964 -14.1964 -6.0617 -6.0570 -5.6927 -5.6853 -5.6732 -5.6703 -1.1399 -1.0928 0.5577 0.5742 0.8064 0.8500 6.2851 6.2883 6.9379 6.9660 7.1475 7.1896 7.2203 7.2703 7.8512 7.9016 8.1014 8.1105 9.6295 9.6331 9.8454 9.8606 9.9769 9.9784 14.1137 14.1270 14.4053 14.4064 14.4973 14.5005 16.8701 16.8804 k = 0.5000 0.3007-0.3041 ( 2746 PWs) bands (ev): -45.9335 -45.9335 -22.6860 -22.6845 -22.0421 -22.0409 -22.0297 -22.0274 -14.1927 -14.1926 -6.0304 -6.0258 -5.6895 -5.6824 -5.6700 -5.6666 -1.1638 -1.1170 0.5293 0.5453 0.7668 0.8106 6.2753 6.2785 6.9202 6.9430 7.1381 7.1827 7.2057 7.2610 7.8463 7.8970 8.0913 8.1001 9.6670 9.6701 9.8710 9.8858 10.0063 10.0081 14.1619 14.1745 14.4289 14.4298 14.5174 14.5204 16.9260 16.9375 k = 0.5000 0.3096-0.3130 ( 2746 PWs) bands (ev): -45.9334 -45.9334 -22.6868 -22.6853 -22.0425 -22.0413 -22.0310 -22.0287 -14.1890 -14.1890 -5.9995 -5.9950 -5.6864 -5.6796 -5.6663 -5.6625 -1.1877 -1.1413 0.5015 0.5170 0.7267 0.7704 6.2645 6.2676 6.8982 6.9164 7.1197 7.1464 7.2281 7.2675 7.8424 7.8934 8.0841 8.0925 9.7058 9.7083 9.8966 9.9108 10.0341 10.0363 14.2083 14.2202 14.4529 14.4536 14.5375 14.5405 16.9750 16.9881 k = 0.5000 0.3185-0.3219 ( 2740 PWs) bands (ev): -45.9334 -45.9334 -22.6874 -22.6860 -22.0428 -22.0416 -22.0322 -22.0300 -14.1854 -14.1854 -5.9690 -5.9645 -5.6831 -5.6767 -5.6621 -5.6581 -1.2116 -1.1658 0.4743 0.4893 0.6862 0.7297 6.2528 6.2557 6.8739 6.8884 7.0931 7.1092 7.2557 7.2875 7.8398 7.8912 8.0793 8.0873 9.7455 9.7474 9.9221 9.9357 10.0603 10.0630 14.2528 14.2639 14.4772 14.4778 14.5576 14.5605 17.0161 17.0311 k = 0.5000 0.3274-0.3308 ( 2742 PWs) bands (ev): -45.9333 -45.9333 -22.6881 -22.6867 -22.0432 -22.0420 -22.0334 -22.0313 -14.1820 -14.1819 -5.9390 -5.9346 -5.6797 -5.6735 -5.6578 -5.6536 -1.2353 -1.1902 0.4479 0.4623 0.6457 0.6887 6.2399 6.2427 6.8490 6.8606 7.0617 7.0717 7.2863 7.3162 7.8388 7.8905 8.0765 8.0841 9.7857 9.7872 9.9475 9.9605 10.0850 10.0880 14.2953 14.3056 14.5017 14.5021 14.5776 14.5804 17.0482 17.0658 k = 0.5000 0.3363-0.3397 ( 2746 PWs) bands (ev): -45.9333 -45.9333 -22.6888 -22.6874 -22.0435 -22.0424 -22.0346 -22.0325 -14.1786 -14.1786 -5.9096 -5.9054 -5.6760 -5.6701 -5.6533 -5.6491 -1.2587 -1.2145 0.4224 0.4362 0.6054 0.6478 6.2260 6.2286 6.8244 6.8338 7.0281 7.0345 7.3185 7.3496 7.8397 7.8918 8.0753 8.0826 9.8262 9.8273 9.9728 9.9851 10.1082 10.1115 14.3356 14.3452 14.5263 14.5266 14.5974 14.6000 17.0710 17.0915 k = 0.5000 0.3451-0.3486 ( 2744 PWs) bands (ev): -45.9332 -45.9332 -22.6894 -22.6880 -22.0438 -22.0427 -22.0357 -22.0337 -14.1754 -14.1753 -5.8809 -5.8769 -5.6721 -5.6664 -5.6487 -5.6446 -1.2818 -1.2386 0.3977 0.4110 0.5657 0.6072 6.2111 6.2134 6.8008 6.8086 6.9937 6.9978 7.3517 7.3850 7.8426 7.8952 8.0754 8.0825 9.8667 9.8673 9.9980 10.0096 10.1298 10.1334 14.3738 14.3825 14.5508 14.5510 14.6169 14.6194 17.0844 17.1081 k = 0.5000 0.3540-0.3575 ( 2736 PWs) bands (ev): -45.9332 -45.9332 -22.6899 -22.6886 -22.0441 -22.0430 -22.0368 -22.0348 -14.1722 -14.1722 -5.8531 -5.8494 -5.6679 -5.6624 -5.6442 -5.6402 -1.3044 -1.2623 0.3741 0.3868 0.5267 0.5672 6.1952 6.1972 6.7788 6.7853 6.9592 6.9618 7.3848 7.4207 7.8480 7.9008 8.0765 8.0836 9.9067 9.9072 10.0230 10.0341 10.1500 10.1539 14.4096 14.4175 14.5751 14.5754 14.6359 14.6384 17.0892 17.1160 k = 0.5000 0.3629-0.3664 ( 2746 PWs) bands (ev): -45.9332 -45.9332 -22.6905 -22.6893 -22.0444 -22.0434 -22.0378 -22.0359 -14.1693 -14.1693 -5.8263 -5.8228 -5.6635 -5.6583 -5.6398 -5.6360 -1.3263 -1.2857 0.3515 0.3635 0.4888 0.5281 6.1785 6.1802 6.7586 6.7640 6.9253 6.9270 7.4172 7.4554 7.8559 7.9088 8.0784 8.0855 9.9459 9.9465 10.0479 10.0583 10.1687 10.1729 14.4432 14.4502 14.5990 14.5995 14.6545 14.6568 17.0865 17.1162 k = 0.5000 0.3718-0.3753 ( 2746 PWs) bands (ev): -45.9331 -45.9331 -22.6911 -22.6899 -22.0447 -22.0438 -22.0388 -22.0370 -14.1665 -14.1665 -5.8006 -5.7973 -5.6590 -5.6540 -5.6354 -5.6318 -1.3475 -1.3084 0.3301 0.3414 0.4522 0.4900 6.1611 6.1626 6.7402 6.7448 6.8922 6.8934 7.4481 7.4881 7.8667 7.9191 8.0809 8.0881 9.9842 9.9851 10.0725 10.0823 10.1860 10.1906 14.4744 14.4806 14.6225 14.6231 14.6726 14.6747 17.0779 17.1101 k = 0.5000 0.3807-0.3842 ( 2744 PWs) bands (ev): -45.9331 -45.9331 -22.6916 -22.6905 -22.0449 -22.0441 -22.0396 -22.0380 -14.1638 -14.1638 -5.7760 -5.7731 -5.6544 -5.6496 -5.6312 -5.6278 -1.3678 -1.3305 0.3098 0.3205 0.4172 0.4534 6.1433 6.1446 6.7238 6.7278 6.8604 6.8615 7.4770 7.5180 7.8804 7.9315 8.0839 8.0912 10.0212 10.0225 10.0967 10.1060 10.2019 10.2068 14.5032 14.5086 14.6454 14.6461 14.6899 14.6919 17.0651 17.0993 k = 0.5000 0.3895-0.3931 ( 2750 PWs) bands (ev): -45.9330 -45.9330 -22.6921 -22.6910 -22.0452 -22.0444 -22.0405 -22.0389 -14.1613 -14.1613 -5.7528 -5.7502 -5.6497 -5.6452 -5.6270 -5.6240 -1.3872 -1.3518 0.2908 0.3008 0.3839 0.4183 6.1254 6.1265 6.7093 6.7127 6.8301 6.8313 7.5036 7.5444 7.8970 7.9459 8.0871 8.0946 10.0567 10.0584 10.1205 10.1293 10.2164 10.2218 14.5297 14.5344 14.6674 14.6683 14.7065 14.7084 17.0497 17.0854 k = 0.5000 0.3984-0.4020 ( 2752 PWs) bands (ev): -45.9330 -45.9330 -22.6925 -22.6916 -22.0454 -22.0448 -22.0412 -22.0398 -14.1590 -14.1590 -5.7309 -5.7289 -5.6450 -5.6408 -5.6231 -5.6203 -1.4055 -1.3722 0.2731 0.2824 0.3526 0.3850 6.1076 6.1085 6.6965 6.6995 6.8016 6.8028 7.5275 7.5672 7.9162 7.9619 8.0905 8.0983 10.0905 10.0926 10.1435 10.1519 10.2297 10.2354 14.5540 14.5579 14.6885 14.6895 14.7222 14.7240 17.0331 17.0698 k = 0.5000 0.4073-0.4109 ( 2752 PWs) bands (ev): -45.9330 -45.9330 -22.6929 -22.6920 -22.0457 -22.0451 -22.0419 -22.0406 -14.1568 -14.1568 -5.7107 -5.7091 -5.6405 -5.6364 -5.6192 -5.6168 -1.4225 -1.3915 0.2568 0.2653 0.3234 0.3536 6.0902 6.0909 6.6855 6.6880 6.7750 6.7764 7.5486 7.5863 7.9373 7.9791 8.0940 8.1020 10.1223 10.1248 10.1658 10.1739 10.2417 10.2479 14.5760 14.5792 14.7084 14.7095 14.7370 14.7386 17.0166 17.0537 k = 0.5000 0.4162-0.4199 ( 2752 PWs) bands (ev): -45.9330 -45.9330 -22.6933 -22.6925 -22.0459 -22.0454 -22.0425 -22.0413 -14.1549 -14.1548 -5.6921 -5.6911 -5.6360 -5.6320 -5.6156 -5.6135 -1.4382 -1.4096 0.2419 0.2496 0.2967 0.3245 6.0735 6.0740 6.6759 6.6781 6.7506 6.7520 7.5672 7.6020 7.9596 7.9968 8.0974 8.1058 10.1518 10.1547 10.1871 10.1949 10.2524 10.2592 14.5958 14.5985 14.7269 14.7280 14.7508 14.7523 17.0012 17.0382 k = 0.5000 0.4251-0.4288 ( 2750 PWs) bands (ev): -45.9329 -45.9329 -22.6936 -22.6929 -22.0461 -22.0457 -22.0430 -22.0419 -14.1531 -14.1531 -5.6757 -5.6749 -5.6316 -5.6276 -5.6121 -5.6104 -1.4525 -1.4265 0.2285 0.2353 0.2724 0.2977 6.0577 6.0581 6.6678 6.6697 6.7285 6.7298 7.5832 7.6147 7.9824 8.0144 8.1007 8.1095 10.1787 10.1822 10.2072 10.2148 10.2620 10.2694 14.6134 14.6156 14.7439 14.7450 14.7635 14.7649 16.9876 17.0238 k = 0.5000 0.4340-0.4377 ( 2746 PWs) bands (ev): -45.9329 -45.9329 -22.6939 -22.6932 -22.0463 -22.0460 -22.0434 -22.0424 -14.1515 -14.1515 -5.6618 -5.6604 -5.6273 -5.6229 -5.6089 -5.6075 -1.4652 -1.4420 0.2165 0.2225 0.2507 0.2734 6.0431 6.0433 6.6609 6.6625 6.7087 6.7099 7.5970 7.6248 8.0048 8.0313 8.1038 8.1130 10.2028 10.2068 10.2260 10.2333 10.2705 10.2785 14.6290 14.6307 14.7593 14.7603 14.7751 14.7763 16.9765 17.0111 k = 0.5000 0.4428-0.4466 ( 2746 PWs) bands (ev): -45.9329 -45.9329 -22.6941 -22.6935 -22.0465 -22.0463 -22.0437 -22.0429 -14.1501 -14.1501 -5.6506 -5.6482 -5.6228 -5.6179 -5.6059 -5.6048 -1.4763 -1.4560 0.2061 0.2112 0.2318 0.2517 6.0299 6.0300 6.6552 6.6565 6.6913 6.6924 7.6086 7.6326 8.0260 8.0470 8.1067 8.1163 10.2239 10.2284 10.2434 10.2502 10.2779 10.2867 14.6425 14.6438 14.7729 14.7737 14.7855 14.7865 16.9681 17.0003 k = 0.5000 0.4517-0.4555 ( 2758 PWs) bands (ev): -45.9329 -45.9329 -22.6944 -22.6939 -22.0467 -22.0466 -22.0440 -22.0434 -14.1489 -14.1489 -5.6420 -5.6389 -5.6180 -5.6126 -5.6032 -5.6023 -1.4856 -1.4683 0.1973 0.2014 0.2158 0.2327 6.0183 6.0184 6.6505 6.6516 6.6763 6.6773 7.6184 7.6385 8.0454 8.0610 8.1092 8.1193 10.2416 10.2467 10.2590 10.2652 10.2845 10.2938 14.6539 14.6550 14.7845 14.7851 14.7947 14.7954 16.9629 16.9912 k = 0.5000 0.4606-0.4644 ( 2768 PWs) bands (ev): -45.9329 -45.9329 -22.6946 -22.6942 -22.0469 -22.0469 -22.0443 -22.0438 -14.1479 -14.1479 -5.6357 -5.6325 -5.6127 -5.6074 -5.6008 -5.5999 -1.4932 -1.4790 0.1900 0.1932 0.2026 0.2165 6.0084 6.0085 6.6468 6.6477 6.6639 6.6648 7.6266 7.6427 8.0625 8.0729 8.1116 8.1217 10.2560 10.2615 10.2726 10.2778 10.2905 10.3000 14.6634 14.6642 14.7941 14.7945 14.8026 14.8031 16.9607 16.9834 k = 0.5000 0.4695-0.4733 ( 2782 PWs) bands (ev): -45.9329 -45.9329 -22.6948 -22.6945 -22.0471 -22.0471 -22.0445 -22.0441 -14.1471 -14.1471 -5.6313 -5.6286 -5.6076 -5.6031 -5.5984 -5.5976 -1.4989 -1.4879 0.1844 0.1866 0.1925 0.2033 6.0005 6.0005 6.6439 6.6446 6.6541 6.6547 7.6332 7.6455 8.0766 8.0824 8.1137 8.1235 10.2672 10.2726 10.2837 10.2872 10.2968 10.3052 14.6708 14.6714 14.8016 14.8018 14.8091 14.8093 16.9612 16.9765 k = 0.5000 0.4784-0.4822 ( 2796 PWs) bands (ev): -45.9329 -45.9329 -22.6949 -22.6947 -22.0473 -22.0473 -22.0446 -22.0443 -14.1465 -14.1465 -5.6283 -5.6264 -5.6037 -5.6006 -5.5958 -5.5953 -1.5027 -1.4950 0.1804 0.1816 0.1854 0.1930 5.9945 5.9945 6.6419 6.6423 6.6469 6.6473 7.6385 7.6470 8.0872 8.0896 8.1159 8.1243 10.2754 10.2801 10.2919 10.2933 10.3032 10.3092 14.6764 14.6767 14.8070 14.8070 14.8140 14.8141 16.9633 16.9704 k = 0.5000 0.4873-0.4911 ( 2800 PWs) bands (ev): -45.9328 -45.9328 -22.6949 -22.6948 -22.0475 -22.0475 -22.0446 -22.0445 -14.1461 -14.1461 -5.6264 -5.6253 -5.6011 -5.5995 -5.5936 -5.5935 -1.5045 -1.5002 0.1780 0.1783 0.1813 0.1858 5.9907 5.9907 6.6405 6.6408 6.6424 6.6426 7.6425 7.6473 8.0938 8.0943 8.1184 8.1240 10.2809 10.2839 10.2970 10.2972 10.3084 10.3117 14.6799 14.6801 14.8104 14.8104 14.8173 14.8173 16.9656 16.9669 k = 0.5000 0.4961-0.5000 ( 2800 PWs) bands (ev): -45.9328 -45.9328 -22.6949 -22.6949 -22.0475 -22.0475 -22.0446 -22.0446 -14.1460 -14.1460 -5.6253 -5.6251 -5.5997 -5.5994 -5.5925 -5.5925 -1.5044 -1.5034 0.1769 0.1769 0.1806 0.1816 5.9890 5.9890 6.6397 6.6397 6.6407 6.6407 7.6453 7.6463 8.0965 8.0965 8.1211 8.1225 10.2840 10.2847 10.2991 10.2991 10.3115 10.3122 14.6815 14.6816 14.8118 14.8118 14.8187 14.8187 16.9642 16.9644 k = 0.5026 0.4987 0.4949 ( 2800 PWs) bands (ev): -45.9328 -45.9328 -22.6949 -22.6949 -22.0475 -22.0475 -22.0446 -22.0446 -14.1460 -14.1460 -5.6253 -5.6251 -5.5997 -5.5994 -5.5925 -5.5925 -1.5044 -1.5034 0.1769 0.1769 0.1806 0.1816 5.9890 5.9890 6.6397 6.6397 6.6407 6.6407 7.6453 7.6463 8.0965 8.0965 8.1211 8.1225 10.2840 10.2847 10.2991 10.2991 10.3115 10.3122 14.6815 14.6816 14.8118 14.8118 14.8187 14.8187 16.9642 16.9642 k = 0.5000 0.4987 0.4974 ( 2800 PWs) bands (ev): -45.9328 -45.9328 -22.6949 -22.6949 -22.0475 -22.0475 -22.0446 -22.0446 -14.1460 -14.1460 -5.6252 -5.6252 -5.5995 -5.5995 -5.5925 -5.5925 -1.5040 -1.5040 0.1768 0.1768 0.1809 0.1809 5.9889 5.9889 6.6397 6.6397 6.6406 6.6406 7.6459 7.6459 8.0966 8.0966 8.1218 8.1218 10.2845 10.2845 10.2992 10.2992 10.3120 10.3120 14.6816 14.6816 14.8119 14.8119 14.8188 14.8188 16.9641 16.9641 k = 0.5000 0.4987 0.4974 ( 2800 PWs) bands (ev): -45.9328 -45.9328 -22.6949 -22.6949 -22.0475 -22.0475 -22.0446 -22.0446 -14.1460 -14.1460 -5.6252 -5.6252 -5.5995 -5.5995 -5.5925 -5.5925 -1.5040 -1.5040 0.1768 0.1768 0.1809 0.1809 5.9889 5.9889 6.6397 6.6397 6.6406 6.6406 7.6459 7.6459 8.0966 8.0966 8.1218 8.1218 10.2845 10.2845 10.2992 10.2992 10.3120 10.3120 14.6816 14.6816 14.8119 14.8119 14.8188 14.8188 16.9641 16.9644 k = 0.4926 0.4914 0.4901 ( 2800 PWs) bands (ev): -45.9328 -45.9328 -22.6949 -22.6949 -22.0475 -22.0475 -22.0446 -22.0446 -14.1461 -14.1461 -5.6258 -5.6258 -5.6002 -5.6002 -5.5927 -5.5927 -1.5030 -1.5030 0.1776 0.1776 0.1826 0.1826 5.9902 5.9902 6.6404 6.6404 6.6414 6.6414 7.6454 7.6454 8.0964 8.0964 8.1200 8.1200 10.2830 10.2830 10.2976 10.2976 10.3112 10.3112 14.6808 14.6808 14.8109 14.8110 14.8178 14.8178 16.9662 16.9668 k = 0.4853 0.4840 0.4828 ( 2800 PWs) bands (ev): -45.9329 -45.9329 -22.6948 -22.6948 -22.0474 -22.0474 -22.0445 -22.0445 -14.1464 -14.1464 -5.6278 -5.6278 -5.6022 -5.6022 -5.5933 -5.5933 -1.5000 -1.5000 0.1800 0.1800 0.1875 0.1875 5.9942 5.9942 6.6427 6.6427 6.6436 6.6438 7.6438 7.6438 8.0956 8.0958 8.1146 8.1146 10.2784 10.2784 10.2926 10.2928 10.3090 10.3090 14.6782 14.6782 14.8078 14.8081 14.8148 14.8148 16.9730 16.9748 k = 0.4779 0.4767 0.4755 ( 2800 PWs) bands (ev): -45.9329 -45.9329 -22.6947 -22.6947 -22.0473 -22.0473 -22.0444 -22.0444 -14.1469 -14.1469 -5.6314 -5.6314 -5.6052 -5.6052 -5.5943 -5.5943 -1.4950 -1.4950 0.1840 0.1840 0.1956 0.1956 6.0008 6.0008 6.6464 6.6464 6.6474 6.6476 7.6412 7.6412 8.0944 8.0946 8.1057 8.1057 10.2707 10.2707 10.2846 10.2848 10.3054 10.3054 14.6739 14.6739 14.8028 14.8032 14.8099 14.8099 16.9842 16.9859 k = 0.4706 0.4694 0.4682 ( 2800 PWs) bands (ev): -45.9329 -45.9329 -22.6946 -22.6946 -22.0471 -22.0471 -22.0442 -22.0442 -14.1477 -14.1477 -5.6370 -5.6370 -5.6088 -5.6088 -5.5958 -5.5958 -1.4881 -1.4881 0.1895 0.1895 0.2069 0.2069 6.0101 6.0101 6.6516 6.6516 6.6527 6.6529 7.6375 7.6375 8.0927 8.0930 8.0935 8.0935 10.2598 10.2598 10.2734 10.2737 10.3005 10.3005 14.6680 14.6680 14.7958 14.7963 14.8029 14.8029 16.9999 17.0020 k = 0.4632 0.4620 0.4609 ( 2770 PWs) bands (ev): -45.9329 -45.9329 -22.6942 -22.6942 -22.0468 -22.0468 -22.0438 -22.0438 -14.1487 -14.1487 -5.6449 -5.6449 -5.6125 -5.6125 -5.5976 -5.5976 -1.4794 -1.4794 0.1966 0.1966 0.2214 0.2214 6.0219 6.0219 6.6584 6.6584 6.6595 6.6598 7.6327 7.6327 8.0784 8.0784 8.0906 8.0910 10.2460 10.2460 10.2593 10.2597 10.2944 10.2944 14.6604 14.6604 14.7868 14.7874 14.7940 14.7940 17.0195 17.0223 k = 0.4559 0.4547 0.4535 ( 2746 PWs) bands (ev): -45.9329 -45.9329 -22.6939 -22.6939 -22.0464 -22.0464 -22.0434 -22.0434 -14.1499 -14.1499 -5.6551 -5.6551 -5.6163 -5.6163 -5.5998 -5.5998 -1.4688 -1.4688 0.2052 0.2052 0.2390 0.2390 6.0363 6.0363 6.6666 6.6666 6.6677 6.6682 7.6265 7.6265 8.0607 8.0607 8.0880 8.0885 10.2293 10.2293 10.2425 10.2430 10.2872 10.2872 14.6512 14.6512 14.7759 14.7766 14.7832 14.7832 17.0428 17.0461 k = 0.4485 0.4474 0.4462 ( 2734 PWs) bands (ev): -45.9329 -45.9329 -22.6935 -22.6935 -22.0460 -22.0460 -22.0431 -22.0431 -14.1512 -14.1512 -5.6677 -5.6677 -5.6201 -5.6201 -5.6024 -5.6024 -1.4566 -1.4566 0.2153 0.2153 0.2595 0.2595 6.0532 6.0532 6.6762 6.6762 6.6775 6.6780 7.6188 7.6188 8.0409 8.0409 8.0850 8.0856 10.2099 10.2099 10.2230 10.2236 10.2788 10.2788 14.6403 14.6403 14.7630 14.7639 14.7704 14.7704 17.0693 17.0731 k = 0.4412 0.4400 0.4389 ( 2743 PWs) bands (ev): -45.9329 -45.9329 -22.6933 -22.6933 -22.0456 -22.0456 -22.0428 -22.0428 -14.1529 -14.1529 -5.6824 -5.6824 -5.6240 -5.6240 -5.6053 -5.6053 -1.4428 -1.4428 0.2268 0.2268 0.2829 0.2829 6.0724 6.0724 6.6873 6.6873 6.6887 6.6892 7.6096 7.6096 8.0195 8.0195 8.0816 8.0822 10.1880 10.1880 10.2012 10.2019 10.2692 10.2692 14.6279 14.6279 14.7483 14.7493 14.7558 14.7558 17.0983 17.1027 k = 0.4338 0.4327 0.4316 ( 2743 PWs) bands (ev): -45.9329 -45.9329 -22.6929 -22.6929 -22.0452 -22.0452 -22.0424 -22.0424 -14.1547 -14.1547 -5.6990 -5.6990 -5.6280 -5.6280 -5.6087 -5.6086 -1.4276 -1.4276 0.2397 0.2397 0.3091 0.3091 6.0940 6.0940 6.6997 6.6997 6.7013 6.7019 7.5985 7.5985 7.9971 7.9971 8.0778 8.0785 10.1638 10.1638 10.1774 10.1780 10.2586 10.2586 14.6140 14.6140 14.7316 14.7328 14.7392 14.7392 17.1293 17.1341 k = 0.4265 0.4254 0.4243 ( 2743 PWs) bands (ev): -45.9330 -45.9330 -22.6925 -22.6925 -22.0447 -22.0447 -22.0419 -22.0419 -14.1567 -14.1567 -5.7173 -5.7173 -5.6322 -5.6322 -5.6123 -5.6123 -1.4109 -1.4109 0.2539 0.2539 0.3379 0.3379 6.1177 6.1177 6.7136 6.7136 6.7153 6.7161 7.5855 7.5855 7.9743 7.9743 8.0736 8.0744 10.1377 10.1377 10.1516 10.1523 10.2468 10.2468 14.5986 14.5986 14.7131 14.7144 14.7209 14.7209 17.1613 17.1669 k = 0.4191 0.4180 0.4170 ( 2743 PWs) bands (ev): -45.9330 -45.9330 -22.6920 -22.6920 -22.0442 -22.0442 -22.0414 -22.0414 -14.1589 -14.1589 -5.7371 -5.7371 -5.6367 -5.6367 -5.6162 -5.6162 -1.3931 -1.3931 0.2694 0.2694 0.3691 0.3691 6.1435 6.1435 6.7288 6.7288 6.7307 6.7316 7.5705 7.5705 7.9518 7.9518 8.0690 8.0700 10.1098 10.1098 10.1243 10.1251 10.2339 10.2339 14.5817 14.5817 14.6928 14.6942 14.7007 14.7007 17.1933 17.1995 k = 0.4118 0.4107 0.4096 ( 2749 PWs) bands (ev): -45.9330 -45.9330 -22.6916 -22.6916 -22.0437 -22.0437 -22.0409 -22.0409 -14.1614 -14.1614 -5.7583 -5.7583 -5.6414 -5.6414 -5.6205 -5.6205 -1.3741 -1.3741 0.2861 0.2861 0.4027 0.4027 6.1713 6.1713 6.7454 6.7454 6.7475 6.7484 7.5532 7.5532 7.9302 7.9302 8.0642 8.0653 10.0805 10.0805 10.0957 10.0965 10.2200 10.2200 14.5634 14.5634 14.6708 14.6723 14.6788 14.6788 17.2246 17.2311 k = 0.4044 0.4034 0.4023 ( 2743 PWs) bands (ev): -45.9331 -45.9331 -22.6910 -22.6910 -22.0430 -22.0430 -22.0403 -22.0403 -14.1640 -14.1640 -5.7807 -5.7807 -5.6463 -5.6463 -5.6250 -5.6250 -1.3542 -1.3542 0.3039 0.3040 0.4383 0.4383 6.2008 6.2008 6.7632 6.7632 6.7656 6.7666 7.5339 7.5339 7.9100 7.9100 8.0591 8.0604 10.0500 10.0500 10.0661 10.0669 10.2051 10.2051 14.5436 14.5436 14.6470 14.6486 14.6551 14.6551 17.2538 17.2607 k = 0.3971 0.3960 0.3950 ( 2743 PWs) bands (ev): -45.9331 -45.9331 -22.6904 -22.6904 -22.0424 -22.0424 -22.0397 -22.0397 -14.1669 -14.1669 -5.8042 -5.8042 -5.6514 -5.6514 -5.6298 -5.6298 -1.3334 -1.3334 0.3228 0.3229 0.4759 0.4759 6.2319 6.2319 6.7823 6.7823 6.7850 6.7861 7.5128 7.5128 7.8916 7.8916 8.0538 8.0552 10.0186 10.0186 10.0358 10.0366 10.1892 10.1892 14.5225 14.5225 14.6215 14.6233 14.6298 14.6298 17.2797 17.2869 k = 0.3897 0.3887 0.3877 ( 2746 PWs) bands (ev): -45.9332 -45.9332 -22.6898 -22.6898 -22.0417 -22.0417 -22.0390 -22.0390 -14.1699 -14.1699 -5.8286 -5.8286 -5.6567 -5.6567 -5.6349 -5.6349 -1.3119 -1.3119 0.3427 0.3428 0.5151 0.5151 6.2643 6.2643 6.8026 6.8026 6.8056 6.8068 7.4902 7.4902 7.8753 7.8753 8.0484 8.0499 9.9865 9.9865 10.0050 10.0059 10.1723 10.1723 14.5000 14.5000 14.5944 14.5962 14.6029 14.6029 17.3010 17.3086 k = 0.3824 0.3814 0.3804 ( 2746 PWs) bands (ev): -45.9332 -45.9332 -22.6892 -22.6892 -22.0409 -22.0409 -22.0383 -22.0383 -14.1731 -14.1731 -5.8538 -5.8538 -5.6622 -5.6622 -5.6401 -5.6401 -1.2899 -1.2899 0.3635 0.3635 0.5558 0.5558 6.2977 6.2977 6.8241 6.8241 6.8274 6.8288 7.4668 7.4668 7.8611 7.8611 8.0428 8.0445 9.9541 9.9541 9.9741 9.9749 10.1546 10.1546 14.4762 14.4762 14.5656 14.5677 14.5744 14.5744 17.3166 17.3243 k = 0.3750 0.3740 0.3731 ( 2740 PWs) bands (ev): -45.9333 -45.9333 -22.6885 -22.6885 -22.0401 -22.0401 -22.0375 -22.0375 -14.1765 -14.1765 -5.8796 -5.8796 -5.6679 -5.6679 -5.6456 -5.6455 -1.2675 -1.2675 0.3851 0.3851 0.5976 0.5976 6.3318 6.3318 6.8467 6.8467 6.8504 6.8519 7.4433 7.4433 7.8492 7.8492 8.0372 8.0391 9.9215 9.9215 9.9432 9.9441 10.1360 10.1360 14.4510 14.4510 14.5354 14.5375 14.5443 14.5443 17.3253 17.3327 k = 0.3676 0.3667 0.3658 ( 2740 PWs) bands (ev): -45.9333 -45.9333 -22.6878 -22.6878 -22.0393 -22.0393 -22.0368 -22.0368 -14.1801 -14.1801 -5.9058 -5.9058 -5.6737 -5.6737 -5.6512 -5.6512 -1.2447 -1.2447 0.4074 0.4075 0.6404 0.6404 6.3663 6.3663 6.8704 6.8704 6.8745 6.8761 7.4208 7.4208 7.8394 7.8394 8.0317 8.0337 9.8891 9.8891 9.9127 9.9135 10.1167 10.1167 14.4246 14.4246 14.5037 14.5059 14.5128 14.5128 17.3281 17.3339 k = 0.3603 0.3594 0.3584 ( 2743 PWs) bands (ev): -45.9334 -45.9334 -22.6871 -22.6871 -22.0385 -22.0385 -22.0359 -22.0359 -14.1839 -14.1839 -5.9324 -5.9324 -5.6796 -5.6796 -5.6569 -5.6569 -1.2218 -1.2218 0.4303 0.4304 0.6838 0.6838 6.4006 6.4006 6.8952 6.8952 6.8997 6.9014 7.4001 7.4001 7.8316 7.8316 8.0263 8.0285 9.8569 9.8569 9.8827 9.8835 10.0966 10.0966 14.3968 14.3968 14.4705 14.4729 14.4800 14.4800 17.3198 17.3266 k = 0.3529 0.3520 0.3511 ( 2734 PWs) bands (ev): -45.9334 -45.9334 -22.6863 -22.6863 -22.0375 -22.0375 -22.0351 -22.0351 -14.1878 -14.1878 -5.9592 -5.9592 -5.6856 -5.6856 -5.6628 -5.6628 -1.1988 -1.1988 0.4538 0.4538 0.7275 0.7275 6.4342 6.4342 6.9209 6.9209 6.9259 6.9278 7.3824 7.3824 7.8257 7.8257 8.0212 8.0236 9.8254 9.8254 9.8535 9.8543 10.0758 10.0758 14.3678 14.3678 14.4360 14.4385 14.4458 14.4458 17.3053 17.3116 k = 0.3456 0.3447 0.3438 ( 2728 PWs) bands (ev): -45.9335 -45.9335 -22.6855 -22.6855 -22.0366 -22.0366 -22.0342 -22.0342 -14.1919 -14.1919 -5.9861 -5.9861 -5.6917 -5.6917 -5.6688 -5.6688 -1.1759 -1.1759 0.4776 0.4777 0.7713 0.7713 6.4667 6.4667 6.9475 6.9475 6.9531 6.9551 7.3686 7.3686 7.8216 7.8216 8.0164 8.0190 9.7946 9.7946 9.8253 9.8260 10.0544 10.0544 14.3376 14.3376 14.4003 14.4028 14.4103 14.4103 17.2832 17.2887 k = 0.3382 0.3374 0.3365 ( 2740 PWs) bands (ev): -45.9335 -45.9335 -22.6847 -22.6847 -22.0357 -22.0357 -22.0333 -22.0333 -14.1962 -14.1962 -6.0130 -6.0130 -5.6978 -5.6978 -5.6749 -5.6749 -1.1532 -1.1532 0.5018 0.5019 0.8148 0.8148 6.4975 6.4975 6.9750 6.9750 6.9811 6.9833 7.3600 7.3600 7.8193 7.8193 8.0120 8.0149 9.7648 9.7648 9.7982 9.7989 10.0323 10.0323 14.3061 14.3061 14.3633 14.3659 14.3737 14.3737 17.2542 17.2591 k = 0.3309 0.3300 0.3292 ( 2743 PWs) bands (ev): -45.9336 -45.9336 -22.6839 -22.6839 -22.0347 -22.0347 -22.0324 -22.0324 -14.2007 -14.2007 -6.0397 -6.0397 -5.7039 -5.7039 -5.6810 -5.6810 -1.1308 -1.1308 0.5262 0.5263 0.8578 0.8578 6.5261 6.5261 7.0034 7.0034 7.0100 7.0124 7.3573 7.3573 7.8185 7.8185 8.0082 8.0113 9.7361 9.7361 9.7724 9.7731 10.0098 10.0098 14.2734 14.2734 14.3251 14.3279 14.3359 14.3359 17.2189 17.2232 k = 0.3235 0.3227 0.3219 ( 2734 PWs) bands (ev): -45.9336 -45.9336 -22.6830 -22.6830 -22.0337 -22.0337 -22.0314 -22.0314 -14.2053 -14.2053 -6.0662 -6.0662 -5.7101 -5.7101 -5.6872 -5.6871 -1.1088 -1.1088 0.5507 0.5508 0.8999 0.8999 6.5522 6.5522 7.0325 7.0325 7.0398 7.0424 7.3615 7.3615 7.8194 7.8194 8.0052 8.0085 9.7087 9.7087 9.7482 9.7488 9.9867 9.9867 14.2395 14.2395 14.2859 14.2888 14.2972 14.2972 17.1782 17.1818 k = 0.3162 0.3154 0.3145 ( 2743 PWs) bands (ev): -45.9337 -45.9337 -22.6821 -22.6821 -22.0327 -22.0327 -22.0305 -22.0305 -14.2101 -14.2101 -6.0923 -6.0923 -5.7162 -5.7162 -5.6933 -5.6933 -1.0873 -1.0873 0.5752 0.5752 0.9408 0.9408 6.5756 6.5756 7.0623 7.0623 7.0703 7.0730 7.3730 7.3730 7.8218 7.8219 8.0029 8.0065 9.6827 9.6827 9.7254 9.7260 9.9633 9.9633 14.2044 14.2044 14.2457 14.2487 14.2574 14.2574 17.1327 17.1352 k = 0.3088 0.3080 0.3072 ( 2743 PWs) bands (ev): -45.9338 -45.9338 -22.6812 -22.6812 -22.0317 -22.0317 -22.0295 -22.0295 -14.2150 -14.2150 -6.1180 -6.1180 -5.7223 -5.7223 -5.6995 -5.6995 -1.0664 -1.0664 0.5995 0.5996 0.9802 0.9802 6.5964 6.5964 7.0928 7.0928 7.1014 7.1044 7.3921 7.3921 7.8259 7.8259 8.0015 8.0054 9.6584 9.6584 9.7044 9.7050 9.9394 9.9394 14.1682 14.1682 14.2046 14.2076 14.2168 14.2168 17.0828 17.0838 k = 0.3015 0.3007 0.2999 ( 2737 PWs) bands (ev): -45.9338 -45.9338 -22.6803 -22.6803 -22.0306 -22.0306 -22.0284 -22.0284 -14.2201 -14.2201 -6.1431 -6.1431 -5.7283 -5.7283 -5.7057 -5.7057 -1.0462 -1.0462 0.6237 0.6238 1.0178 1.0178 6.6151 6.6151 7.1238 7.1238 7.1333 7.1365 7.4186 7.4186 7.8315 7.8315 8.0013 8.0054 9.6357 9.6357 9.6852 9.6857 9.9153 9.9153 14.1308 14.1308 14.1626 14.1657 14.1754 14.1754 17.0290 17.0291 k = 0.2941 0.2934 0.2926 ( 2737 PWs) bands (ev): -45.9339 -45.9339 -22.6793 -22.6793 -22.0295 -22.0295 -22.0274 -22.0274 -14.2253 -14.2253 -6.1677 -6.1677 -5.7342 -5.7342 -5.7118 -5.7118 -1.0268 -1.0268 0.6475 0.6476 1.0534 1.0534 6.6322 6.6322 7.1555 7.1555 7.1657 7.1691 7.4522 7.4522 7.8388 7.8388 8.0022 8.0067 9.6148 9.6148 9.6678 9.6682 9.8909 9.8909 14.0924 14.0924 14.1199 14.1231 14.1333 14.1333 16.9712 16.9713 k = 0.2868 0.2860 0.2853 ( 2743 PWs) bands (ev): -45.9340 -45.9340 -22.6784 -22.6784 -22.0284 -22.0284 -22.0263 -22.0263 -14.2306 -14.2306 -6.1915 -6.1915 -5.7401 -5.7401 -5.7178 -5.7178 -1.0082 -1.0082 0.6710 0.6711 1.0867 1.0867 6.6486 6.6486 7.1876 7.1876 7.1986 7.2023 7.4923 7.4923 7.8477 7.8477 8.0044 8.0092 9.5958 9.5958 9.6524 9.6527 9.8664 9.8664 14.0530 14.0530 14.0764 14.0797 14.0906 14.0906 16.9108 16.9108 k = 0.2794 0.2787 0.2780 ( 2743 PWs) bands (ev): -45.9340 -45.9340 -22.6774 -22.6774 -22.0273 -22.0273 -22.0252 -22.0252 -14.2361 -14.2361 -6.2146 -6.2146 -5.7458 -5.7458 -5.7238 -5.7238 -0.9906 -0.9906 0.6939 0.6940 1.1175 1.1175 6.6651 6.6651 7.2202 7.2202 7.2320 7.2360 7.5383 7.5383 7.8582 7.8582 8.0081 8.0132 9.5787 9.5787 9.6389 9.6392 9.8416 9.8416 14.0125 14.0125 14.0324 14.0358 14.0473 14.0473 16.8482 16.8482 k = 0.2721 0.2714 0.2707 ( 2743 PWs) bands (ev): -45.9341 -45.9341 -22.6765 -22.6765 -22.0262 -22.0262 -22.0242 -22.0242 -14.2416 -14.2416 -6.2369 -6.2369 -5.7514 -5.7514 -5.7297 -5.7297 -0.9740 -0.9740 0.7162 0.7163 1.1456 1.1456 6.6825 6.6825 7.2532 7.2532 7.2659 7.2702 7.5894 7.5894 7.8705 7.8705 8.0132 8.0187 9.5637 9.5637 9.6274 9.6276 9.8168 9.8168 13.9712 13.9712 13.9878 13.9913 14.0035 14.0035 16.7836 16.7836 k = 0.2647 0.2640 0.2633 ( 2746 PWs) bands (ev): -45.9342 -45.9342 -22.6755 -22.6755 -22.0251 -22.0251 -22.0231 -22.0231 -14.2473 -14.2473 -6.2584 -6.2584 -5.7568 -5.7568 -5.7354 -5.7354 -0.9584 -0.9584 0.7378 0.7379 1.1708 1.1708 6.7015 6.7015 7.2865 7.2865 7.3002 7.3047 7.6450 7.6450 7.8845 7.8845 8.0200 8.0258 9.5508 9.5508 9.6179 9.6181 9.7920 9.7920 13.9290 13.9290 13.9428 13.9464 13.9594 13.9594 16.7173 16.7173 k = 0.2574 0.2567 0.2560 ( 2746 PWs) bands (ev): -45.9343 -45.9343 -22.6745 -22.6745 -22.0240 -22.0240 -22.0219 -22.0219 -14.2531 -14.2531 -6.2789 -6.2789 -5.7621 -5.7621 -5.7411 -5.7411 -0.9439 -0.9439 0.7587 0.7588 1.1930 1.1930 6.7228 6.7228 7.3201 7.3201 7.3349 7.3397 7.7044 7.7044 7.9002 7.9002 8.0285 8.0346 9.5400 9.5400 9.6104 9.6106 9.7672 9.7672 13.8860 13.8860 13.8974 13.9010 13.9149 13.9149 16.6496 16.6496 k = 0.2500 0.2494 0.2487 ( 2752 PWs) bands (ev): -45.9343 -45.9343 -22.6735 -22.6735 -22.0229 -22.0229 -22.0209 -22.0209 -14.2590 -14.2590 -6.2985 -6.2985 -5.7672 -5.7672 -5.7466 -5.7466 -0.9305 -0.9305 0.7787 0.7788 1.2121 1.2121 6.7467 6.7467 7.3539 7.3539 7.3700 7.3751 7.7671 7.7671 7.9177 7.9177 8.0387 8.0451 9.5313 9.5313 9.6049 9.6050 9.7424 9.7424 13.8424 13.8424 13.8517 13.8554 13.8701 13.8701 16.5807 16.5807 k = 0.2426 0.2420 0.2414 ( 2746 PWs) bands (ev): -45.9344 -45.9344 -22.6725 -22.6725 -22.0217 -22.0217 -22.0197 -22.0197 -14.2649 -14.2649 -6.3172 -6.3172 -5.7721 -5.7721 -5.7520 -5.7520 -0.9184 -0.9184 0.7978 0.7979 1.2280 1.2280 6.7738 6.7738 7.3879 7.3879 7.4054 7.4107 7.8325 7.8325 7.9372 7.9372 8.0507 8.0575 9.5248 9.5248 9.6014 9.6015 9.7178 9.7178 13.7982 13.7982 13.8058 13.8096 13.8251 13.8251 16.5108 16.5108 k = 0.2353 0.2347 0.2341 ( 2740 PWs) bands (ev): -45.9345 -45.9345 -22.6715 -22.6715 -22.0205 -22.0205 -22.0186 -22.0186 -14.2709 -14.2709 -6.3348 -6.3348 -5.7768 -5.7768 -5.7572 -5.7572 -0.9075 -0.9075 0.8160 0.8161 1.2409 1.2409 6.8041 6.8041 7.4220 7.4220 7.4411 7.4467 7.8995 7.8995 7.9592 7.9592 8.0645 8.0716 9.5204 9.5204 9.6000 9.6000 9.6934 9.6934 13.7535 13.7535 13.7598 13.7636 13.7800 13.7800 16.4401 16.4401 k = 0.2279 0.2274 0.2268 ( 2737 PWs) bands (ev): -45.9345 -45.9345 -22.6705 -22.6705 -22.0194 -22.0194 -22.0174 -22.0174 -14.2770 -14.2770 -6.3514 -6.3514 -5.7814 -5.7814 -5.7623 -5.7622 -0.8977 -0.8977 0.8331 0.8332 1.2506 1.2506 6.8378 6.8378 7.4561 7.4561 7.4771 7.4830 7.9627 7.9627 7.9888 7.9888 8.0801 8.0875 9.5182 9.5182 9.6004 9.6005 9.6692 9.6692 13.7085 13.7085 13.7136 13.7175 13.7347 13.7347 16.3687 16.3687 k = 0.2206 0.2200 0.2195 ( 2737 PWs) bands (ev): -45.9346 -45.9346 -22.6695 -22.6695 -22.0183 -22.0183 -22.0163 -22.0163 -14.2831 -14.2831 -6.3671 -6.3671 -5.7857 -5.7857 -5.7671 -5.7671 -0.8893 -0.8893 0.8492 0.8493 1.2572 1.2572 6.8749 6.8749 7.4903 7.4903 7.5134 7.5195 7.9994 7.9994 8.0486 8.0486 8.0975 8.1052 9.5181 9.5181 9.6028 9.6028 9.6452 9.6452 13.6633 13.6633 13.6675 13.6714 13.6894 13.6894 16.2970 16.2970 k = 0.2132 0.2127 0.2121 ( 2743 PWs) bands (ev): -45.9347 -45.9347 -22.6686 -22.6686 -22.0172 -22.0172 -22.0152 -22.0152 -14.2892 -14.2892 -6.3816 -6.3816 -5.7898 -5.7898 -5.7719 -5.7718 -0.8820 -0.8820 0.8642 0.8644 1.2610 1.2610 6.9153 6.9153 7.5243 7.5243 7.5498 7.5562 8.0270 8.0270 8.1167 8.1207 8.1207 8.1246 9.5202 9.5202 9.6070 9.6071 9.6216 9.6216 13.6180 13.6180 13.6214 13.6254 13.6441 13.6441 16.2249 16.2249 k = 0.2059 0.2054 0.2048 ( 2737 PWs) bands (ev): -45.9347 -45.9347 -22.6675 -22.6675 -22.0161 -22.0161 -22.0141 -22.0141 -14.2953 -14.2953 -6.3952 -6.3952 -5.7937 -5.7937 -5.7764 -5.7764 -0.8760 -0.8760 0.8782 0.8783 1.2619 1.2619 6.9589 6.9589 7.5582 7.5582 7.5865 7.5930 8.0551 8.0551 8.1378 8.1459 8.1952 8.1952 9.5242 9.5242 9.5984 9.5984 9.6131 9.6131 13.5726 13.5726 13.5754 13.5795 13.5989 13.5989 16.1528 16.1528 k = 0.1985 0.1980 0.1975 ( 2749 PWs) bands (ev): -45.9348 -45.9348 -22.6666 -22.6666 -22.0150 -22.0150 -22.0130 -22.0130 -14.3015 -14.3015 -6.4077 -6.4077 -5.7974 -5.7974 -5.7807 -5.7807 -0.8712 -0.8712 0.8910 0.8911 1.2602 1.2602 7.0055 7.0055 7.5918 7.5918 7.6232 7.6298 8.0847 8.0847 8.1605 8.1689 8.2711 8.2711 9.5302 9.5302 9.5757 9.5757 9.6208 9.6208 13.5275 13.5275 13.5297 13.5338 13.5538 13.5538 16.0808 16.0808 k = 0.1912 0.1907 0.1902 ( 2749 PWs) bands (ev): -45.9349 -45.9349 -22.6657 -22.6657 -22.0139 -22.0139 -22.0120 -22.0120 -14.3076 -14.3076 -6.4193 -6.4193 -5.8009 -5.8009 -5.7849 -5.7849 -0.8675 -0.8675 0.9027 0.9029 1.2560 1.2560 7.0547 7.0547 7.6250 7.6250 7.6598 7.6667 8.1158 8.1158 8.1851 8.1936 8.3481 8.3481 9.5376 9.5376 9.5539 9.5539 9.6302 9.6303 13.4825 13.4825 13.4842 13.4883 13.5091 13.5091 16.0090 16.0090 k = 0.1838 0.1833 0.1829 ( 2743 PWs) bands (ev): -45.9349 -45.9349 -22.6647 -22.6647 -22.0129 -22.0129 -22.0109 -22.0109 -14.3137 -14.3137 -6.4298 -6.4298 -5.8042 -5.8042 -5.7888 -5.7888 -0.8650 -0.8650 0.9134 0.9135 1.2496 1.2496 7.1062 7.1062 7.6576 7.6576 7.6964 7.7033 8.1486 8.1486 8.2114 8.2200 8.4257 8.4257 9.5303 9.5303 9.5492 9.5492 9.6412 9.6413 13.4379 13.4379 13.4390 13.4431 13.4646 13.4646 15.9376 15.9376 k = 0.1765 0.1760 0.1756 ( 2731 PWs) bands (ev): -45.9350 -45.9350 -22.6638 -22.6638 -22.0118 -22.0118 -22.0097 -22.0097 -14.3198 -14.3198 -6.4394 -6.4394 -5.8073 -5.8073 -5.7926 -5.7926 -0.8636 -0.8636 0.9230 0.9231 1.2413 1.2413 7.1597 7.1597 7.6897 7.6897 7.7327 7.7397 8.1831 8.1831 8.2395 8.2481 8.5039 8.5039 9.5094 9.5094 9.5603 9.5603 9.6537 9.6537 13.3938 13.3938 13.3942 13.3984 13.4207 13.4207 15.8668 15.8668 k = 0.1691 0.1687 0.1682 ( 2731 PWs) bands (ev): -45.9351 -45.9351 -22.6629 -22.6629 -22.0108 -22.0108 -22.0087 -22.0087 -14.3258 -14.3258 -6.4481 -6.4481 -5.8101 -5.8101 -5.7962 -5.7961 -0.8632 -0.8632 0.9315 0.9316 1.2311 1.2311 7.2148 7.2148 7.7209 7.7209 7.7685 7.7755 8.2193 8.2193 8.2693 8.2779 8.5823 8.5823 9.4888 9.4888 9.5734 9.5734 9.6675 9.6675 13.3499 13.3502 13.3502 13.3540 13.3772 13.3772 15.7968 15.7968 k = 0.1618 0.1613 0.1609 ( 2731 PWs) bands (ev): -45.9351 -45.9351 -22.6620 -22.6620 -22.0098 -22.0098 -22.0077 -22.0077 -14.3317 -14.3317 -6.4558 -6.4558 -5.8128 -5.8128 -5.7995 -5.7995 -0.8638 -0.8638 0.9390 0.9391 1.2194 1.2194 7.2710 7.2710 7.7513 7.7513 7.8037 7.8106 8.2570 8.2570 8.3008 8.3093 8.6607 8.6607 9.4686 9.4686 9.5880 9.5880 9.6825 9.6826 13.3060 13.3072 13.3072 13.3102 13.3345 13.3345 15.7278 15.7278 k = 0.1544 0.1540 0.1536 ( 2731 PWs) bands (ev): -45.9352 -45.9352 -22.6611 -22.6611 -22.0088 -22.0088 -22.0067 -22.0067 -14.3375 -14.3375 -6.4627 -6.4627 -5.8153 -5.8153 -5.8027 -5.8027 -0.8653 -0.8653 0.9455 0.9457 1.2063 1.2063 7.3279 7.3279 7.7808 7.7808 7.8381 7.8449 8.2964 8.2964 8.3340 8.3424 8.7390 8.7390 9.4491 9.4491 9.6040 9.6040 9.6987 9.6987 13.2627 13.2650 13.2650 13.2669 13.2925 13.2925 15.6599 15.6602 k = 0.1471 0.1467 0.1463 ( 2743 PWs) bands (ev): -45.9352 -45.9352 -22.6604 -22.6604 -22.0079 -22.0079 -22.0058 -22.0058 -14.3432 -14.3432 -6.4688 -6.4688 -5.8175 -5.8175 -5.8057 -5.8057 -0.8676 -0.8676 0.9512 0.9513 1.1922 1.1922 7.3850 7.3850 7.8092 7.8092 7.8714 7.8780 8.3372 8.3372 8.3690 8.3772 8.8168 8.8168 9.4303 9.4303 9.6212 9.6212 9.7157 9.7158 13.2201 13.2235 13.2235 13.2243 13.2515 13.2515 15.5932 15.5953 k = 0.1397 0.1393 0.1390 ( 2743 PWs) bands (ev): -45.9353 -45.9353 -22.6595 -22.6595 -22.0070 -22.0070 -22.0049 -22.0049 -14.3488 -14.3488 -6.4742 -6.4742 -5.8196 -5.8196 -5.8085 -5.8085 -0.8707 -0.8707 0.9560 0.9561 1.1773 1.1773 7.4418 7.4418 7.8366 7.8366 7.9035 7.9099 8.3793 8.3793 8.4056 8.4135 8.8940 8.8940 9.4122 9.4122 9.6394 9.6394 9.7336 9.7337 13.1782 13.1823 13.1829 13.1829 13.2116 13.2116 15.5279 15.5280 k = 0.1324 0.1320 0.1317 ( 2743 PWs) bands (ev): -45.9354 -45.9354 -22.6588 -22.6588 -22.0062 -22.0062 -22.0040 -22.0040 -14.3542 -14.3542 -6.4787 -6.4787 -5.8215 -5.8215 -5.8112 -5.8111 -0.8744 -0.8744 0.9599 0.9600 1.1618 1.1618 7.4978 7.4978 7.8630 7.8630 7.9343 7.9404 8.4226 8.4226 8.4436 8.4512 8.9702 8.9702 9.3948 9.3948 9.6585 9.6585 9.7521 9.7523 13.1371 13.1412 13.1431 13.1431 13.1730 13.1730 15.4644 15.4644 k = 0.1250 0.1247 0.1244 ( 2737 PWs) bands (ev): -45.9354 -45.9354 -22.6580 -22.6580 -22.0053 -22.0053 -22.0031 -22.0031 -14.3595 -14.3595 -6.4827 -6.4827 -5.8233 -5.8233 -5.8136 -5.8136 -0.8787 -0.8787 0.9632 0.9633 1.1458 1.1458 7.5526 7.5526 7.8884 7.8884 7.9634 7.9692 8.4669 8.4669 8.4831 8.4903 9.0452 9.0452 9.3782 9.3782 9.6782 9.6782 9.7711 9.7712 13.0968 13.1009 13.1042 13.1042 13.1359 13.1359 15.4030 15.4043 k = 0.1176 0.1173 0.1170 ( 2725 PWs) bands (ev): -45.9354 -45.9354 -22.6572 -22.6572 -22.0045 -22.0045 -22.0022 -22.0022 -14.3645 -14.3645 -6.4860 -6.4860 -5.8248 -5.8248 -5.8159 -5.8159 -0.8834 -0.8834 0.9657 0.9659 1.1297 1.1297 7.6056 7.6056 7.9130 7.9130 7.9909 7.9963 8.5119 8.5119 8.5237 8.5304 9.1186 9.1186 9.3624 9.3624 9.6984 9.6984 9.7903 9.7905 13.0575 13.0615 13.0661 13.0661 13.1005 13.1005 15.3431 15.3431 k = 0.1103 0.1100 0.1097 ( 2734 PWs) bands (ev): -45.9355 -45.9355 -22.6566 -22.6566 -22.0037 -22.0037 -22.0015 -22.0015 -14.3694 -14.3694 -6.4887 -6.4887 -5.8263 -5.8263 -5.8180 -5.8180 -0.8885 -0.8885 0.9677 0.9678 1.1136 1.1136 7.6563 7.6563 7.9368 7.9368 8.0167 8.0217 8.5572 8.5572 8.5651 8.5714 9.1901 9.1901 9.3474 9.3474 9.7188 9.7188 9.8095 9.8098 13.0193 13.0232 13.0290 13.0290 13.0671 13.0671 15.2856 15.2857 k = 0.1029 0.1027 0.1024 ( 2746 PWs) bands (ev): -45.9355 -45.9355 -22.6560 -22.6560 -22.0031 -22.0031 -22.0008 -22.0008 -14.3740 -14.3740 -6.4909 -6.4909 -5.8275 -5.8275 -5.8199 -5.8199 -0.8939 -0.8939 0.9691 0.9692 1.0977 1.0977 7.7042 7.7042 7.9601 7.9601 8.0406 8.0452 8.6026 8.6026 8.6071 8.6129 9.2594 9.2594 9.3333 9.3333 9.7393 9.7393 9.8287 9.8290 12.9823 12.9861 12.9929 12.9929 13.0356 13.0356 15.2307 15.2315 k = 0.0956 0.0953 0.0951 ( 2755 PWs) bands (ev): -45.9356 -45.9356 -22.6555 -22.6555 -22.0025 -22.0025 -22.0001 -22.0001 -14.3784 -14.3784 -6.4927 -6.4927 -5.8287 -5.8287 -5.8217 -5.8217 -0.8994 -0.8994 0.9701 0.9702 1.0822 1.0822 7.7486 7.7486 7.9830 7.9830 8.0627 8.0669 8.6478 8.6478 8.6493 8.6546 9.3196 9.3196 9.3265 9.3265 9.7596 9.7596 9.8475 9.8478 12.9466 12.9503 12.9579 12.9579 13.0063 13.0063 15.1783 15.1793 k = 0.0882 0.0880 0.0878 ( 2749 PWs) bands (ev): -45.9356 -45.9356 -22.6549 -22.6549 -22.0018 -22.0018 -21.9995 -21.9995 -14.3826 -14.3826 -6.4941 -6.4941 -5.8297 -5.8297 -5.8233 -5.8233 -0.9050 -0.9050 0.9707 0.9708 1.0672 1.0672 7.7892 7.7892 8.0059 8.0059 8.0830 8.0868 8.6912 8.6922 8.6922 8.6960 9.3077 9.3077 9.3897 9.3897 9.7796 9.7796 9.8658 9.8662 12.9124 12.9159 12.9242 12.9242 12.9791 12.9791 15.1288 15.1298 k = 0.0809 0.0807 0.0805 ( 2749 PWs) bands (ev): -45.9357 -45.9357 -22.6544 -22.6544 -22.0013 -22.0013 -21.9988 -21.9988 -14.3865 -14.3865 -6.4951 -6.4951 -5.8306 -5.8306 -5.8248 -5.8247 -0.9106 -0.9106 0.9709 0.9710 1.0529 1.0529 7.8255 7.8255 8.0288 8.0288 8.1015 8.1049 8.7324 8.7355 8.7355 8.7368 9.2962 9.2962 9.4498 9.4498 9.7992 9.7992 9.8834 9.8838 12.8798 12.8832 12.8920 12.8920 12.9542 12.9542 15.0822 15.0823 k = 0.0735 0.0733 0.0732 ( 2755 PWs) bands (ev): -45.9357 -45.9357 -22.6539 -22.6539 -22.0007 -22.0007 -21.9983 -21.9983 -14.3901 -14.3901 -6.4958 -6.4958 -5.8314 -5.8314 -5.8261 -5.8261 -0.9161 -0.9161 0.9709 0.9710 1.0393 1.0393 7.8573 7.8573 8.0518 8.0518 8.1182 8.1212 8.7724 8.7763 8.7772 8.7772 9.2857 9.2857 9.5061 9.5061 9.8181 9.8181 9.9001 9.9005 12.8491 12.8522 12.8616 12.8616 12.9315 12.9315 15.0389 15.0390 k = 0.0662 0.0660 0.0658 ( 2767 PWs) bands (ev): -45.9357 -45.9357 -22.6535 -22.6535 -22.0003 -22.0003 -21.9979 -21.9979 -14.3934 -14.3934 -6.4963 -6.4963 -5.8321 -5.8321 -5.8273 -5.8272 -0.9213 -0.9213 0.9707 0.9708 1.0268 1.0268 7.8846 7.8846 8.0746 8.0746 8.1331 8.1358 8.8107 8.8142 8.8169 8.8169 9.2762 9.2762 9.5580 9.5580 9.8361 9.8361 9.9157 9.9161 12.8203 12.8233 12.8330 12.8330 12.9111 12.9111 14.9991 14.9997 k = 0.0588 0.0587 0.0585 ( 2773 PWs) bands (ev): -45.9358 -45.9358 -22.6531 -22.6531 -21.9998 -21.9998 -21.9974 -21.9974 -14.3963 -14.3963 -6.4966 -6.4966 -5.8327 -5.8327 -5.8283 -5.8283 -0.9262 -0.9262 0.9704 0.9704 1.0152 1.0152 7.9075 7.9075 8.0970 8.0970 8.1464 8.1487 8.8468 8.8498 8.8541 8.8541 9.2676 9.2676 9.6052 9.6052 9.8532 9.8532 9.9301 9.9305 12.7938 12.7965 12.8065 12.8065 12.8930 12.8930 14.9629 14.9638 k = 0.0515 0.0513 0.0512 ( 2767 PWs) bands (ev): -45.9358 -45.9358 -22.6528 -22.6528 -21.9994 -21.9994 -21.9970 -21.9970 -14.3990 -14.3990 -6.4968 -6.4968 -5.8331 -5.8331 -5.8292 -5.8292 -0.9308 -0.9308 0.9699 0.9700 1.0048 1.0048 7.9264 7.9264 8.1184 8.1184 8.1580 8.1599 8.8802 8.8828 8.8883 8.8883 9.2600 9.2600 9.6473 9.6473 9.8692 9.8692 9.9431 9.9435 12.7698 12.7722 12.7825 12.7825 12.8772 12.8772 14.9303 14.9308 k = 0.0441 0.0440 0.0439 ( 2767 PWs) bands (ev): -45.9358 -45.9358 -22.6525 -22.6525 -21.9991 -21.9991 -21.9966 -21.9966 -14.4013 -14.4013 -6.4968 -6.4968 -5.8336 -5.8336 -5.8300 -5.8300 -0.9349 -0.9349 0.9695 0.9695 0.9956 0.9956 7.9418 7.9418 8.1381 8.1381 8.1680 8.1696 8.9104 8.9126 8.9191 8.9191 9.2534 9.2534 9.6839 9.6839 9.8840 9.8840 9.9546 9.9550 12.7484 12.7506 12.7610 12.7610 12.8635 12.8635 14.9018 14.9023 k = 0.0368 0.0367 0.0366 ( 2767 PWs) bands (ev): -45.9358 -45.9358 -22.6522 -22.6522 -21.9989 -21.9989 -21.9963 -21.9963 -14.4033 -14.4033 -6.4968 -6.4968 -5.8339 -5.8339 -5.8306 -5.8306 -0.9385 -0.9385 0.9690 0.9690 0.9877 0.9877 7.9542 7.9542 8.1558 8.1558 8.1764 8.1777 8.9369 8.9387 8.9461 8.9461 9.2478 9.2478 9.7149 9.7149 9.8973 9.8973 9.9645 9.9648 12.7299 12.7317 12.7424 12.7424 12.8521 12.8521 14.8773 14.8774 k = 0.0294 0.0293 0.0293 ( 2767 PWs) bands (ev): -45.9358 -45.9358 -22.6520 -22.6520 -21.9986 -21.9986 -21.9960 -21.9960 -14.4049 -14.4049 -6.4967 -6.4967 -5.8342 -5.8342 -5.8311 -5.8311 -0.9415 -0.9415 0.9685 0.9686 0.9812 0.9812 7.9638 7.9638 8.1708 8.1708 8.1833 8.1843 8.9593 8.9607 8.9687 8.9687 9.2432 9.2432 9.7400 9.7400 9.9088 9.9088 9.9727 9.9730 12.7145 12.7160 12.7268 12.7268 12.8428 12.8428 14.8572 14.8580 k = 0.0221 0.0220 0.0219 ( 2780 PWs) bands (ev): -45.9359 -45.9359 -22.6519 -22.6519 -21.9985 -21.9985 -21.9959 -21.9959 -14.4062 -14.4062 -6.4966 -6.4966 -5.8344 -5.8344 -5.8315 -5.8315 -0.9439 -0.9439 0.9681 0.9682 0.9761 0.9761 7.9710 7.9710 8.1828 8.1828 8.1886 8.1894 8.9772 8.9782 8.9867 8.9867 9.2397 9.2397 9.7594 9.7594 9.9183 9.9183 9.9792 9.9794 12.7024 12.7035 12.7145 12.7145 12.8356 12.8356 14.8415 14.8423 k = 0.0147 0.0147 0.0146 ( 2780 PWs) bands (ev): -45.9359 -45.9359 -22.6518 -22.6518 -21.9983 -21.9983 -21.9957 -21.9957 -14.4071 -14.4071 -6.4966 -6.4966 -5.8345 -5.8345 -5.8318 -5.8318 -0.9457 -0.9457 0.9679 0.9679 0.9724 0.9724 7.9760 7.9760 8.1916 8.1916 8.1924 8.1929 8.9902 8.9909 8.9998 8.9998 9.2371 9.2371 9.7731 9.7731 9.9255 9.9255 9.9838 9.9840 12.6936 12.6944 12.7055 12.7055 12.8306 12.8306 14.8299 14.8302 k = 0.0074 0.0073 0.0073 ( 2777 PWs) bands (ev): -45.9359 -45.9359 -22.6517 -22.6517 -21.9983 -21.9983 -21.9956 -21.9956 -14.4077 -14.4077 -6.4965 -6.4965 -5.8346 -5.8346 -5.8320 -5.8320 -0.9467 -0.9467 0.9677 0.9677 0.9701 0.9701 7.9789 7.9789 8.1948 8.1950 8.1969 8.1969 8.9982 8.9986 9.0078 9.0078 9.2356 9.2356 9.7812 9.7812 9.9299 9.9299 9.9866 9.9867 12.6884 12.6888 12.7001 12.7001 12.8275 12.8275 14.8231 14.8239 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9359 -45.9359 -22.6516 -22.6516 -21.9982 -21.9982 -21.9956 -21.9956 -14.4079 -14.4079 -6.4965 -6.4965 -5.8347 -5.8347 -5.8321 -5.8321 -0.9471 -0.9471 0.9676 0.9676 0.9694 0.9694 7.9799 7.9799 8.1956 8.1956 8.1987 8.1987 9.0010 9.0010 9.0104 9.0104 9.2351 9.2351 9.7839 9.7839 9.9314 9.9314 9.9876 9.9876 12.6868 12.6868 12.6983 12.6983 12.8265 12.8265 14.8209 14.8221 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9359 -45.9359 -22.6516 -22.6516 -21.9982 -21.9982 -21.9956 -21.9956 -14.4079 -14.4079 -6.4965 -6.4965 -5.8347 -5.8347 -5.8321 -5.8321 -0.9471 -0.9471 0.9676 0.9676 0.9694 0.9694 7.9799 7.9799 8.1956 8.1956 8.1987 8.1987 9.0010 9.0010 9.0104 9.0104 9.2351 9.2351 9.7839 9.7839 9.9314 9.9314 9.9876 9.9876 12.6868 12.6868 12.6983 12.6983 12.8265 12.8265 14.8210 14.8222 k = 0.0089-0.0000-0.0089 ( 2777 PWs) bands (ev): -45.9359 -45.9359 -22.6517 -22.6516 -21.9983 -21.9983 -21.9957 -21.9956 -14.4077 -14.4077 -6.4967 -6.4964 -5.8348 -5.8344 -5.8320 -5.8320 -0.9469 -0.9465 0.9680 0.9682 0.9692 0.9703 7.9765 7.9812 8.1920 8.1937 8.1973 8.2003 8.9992 8.9993 9.0075 9.0099 9.2326 9.2343 9.7655 9.7967 9.9150 9.9443 9.9883 9.9889 12.6875 12.6880 12.6983 12.7012 12.8264 12.8288 14.8228 14.8234 k = 0.0178-0.0000-0.0179 ( 2769 PWs) bands (ev): -45.9359 -45.9359 -22.6518 -22.6516 -21.9983 -21.9983 -21.9958 -21.9956 -14.4072 -14.4071 -6.4969 -6.4963 -5.8349 -5.8341 -5.8319 -5.8319 -0.9461 -0.9452 0.9686 0.9694 0.9700 0.9726 7.9707 7.9802 8.1832 8.1892 8.1955 8.1993 8.9933 8.9939 9.0014 9.0061 9.2271 9.2305 9.7427 9.8016 9.8987 9.9508 9.9897 9.9938 12.6882 12.6915 12.7031 12.7068 12.8286 12.8331 14.8257 14.8265 k = 0.0267-0.0001-0.0268 ( 2765 PWs) bands (ev): -45.9359 -45.9359 -22.6519 -22.6517 -21.9984 -21.9984 -21.9959 -21.9957 -14.4063 -14.4062 -6.4972 -6.4963 -5.8349 -5.8337 -5.8317 -5.8316 -0.9445 -0.9432 0.9691 0.9700 0.9732 0.9764 7.9626 7.9769 8.1708 8.1821 8.1918 8.1960 8.9824 8.9841 8.9929 8.9994 9.2190 9.2241 9.7162 9.7953 9.8863 9.9512 9.9910 10.0013 12.6885 12.6961 12.7130 12.7164 12.8331 12.8394 14.8313 14.8324 k = 0.0356-0.0001-0.0357 ( 2767 PWs) bands (ev): -45.9358 -45.9358 -22.6521 -22.6518 -21.9986 -21.9986 -21.9961 -21.9958 -14.4050 -14.4049 -6.4975 -6.4964 -5.8349 -5.8332 -5.8314 -5.8312 -0.9423 -0.9405 0.9697 0.9708 0.9777 0.9817 7.9519 7.9712 8.1548 8.1723 8.1860 8.1910 8.9666 8.9695 8.9822 8.9898 9.2092 9.2158 9.6865 9.7767 9.8795 9.9477 9.9916 10.0088 12.6893 12.7009 12.7271 12.7310 12.8399 12.8477 14.8390 14.8405 k = 0.0445-0.0001-0.0446 ( 2765 PWs) bands (ev): -45.9358 -45.9358 -22.6523 -22.6520 -21.9989 -21.9988 -21.9963 -21.9960 -14.4034 -14.4033 -6.4979 -6.4965 -5.8348 -5.8326 -5.8310 -5.8307 -0.9394 -0.9372 0.9705 0.9718 0.9836 0.9882 7.9384 7.9627 8.1357 8.1595 8.1782 8.1845 8.9460 8.9499 8.9688 8.9772 9.1986 9.2065 9.6539 9.7486 9.8759 9.9417 9.9913 10.0146 12.6912 12.7061 12.7452 12.7502 12.8489 12.8580 14.8488 14.8507 k = 0.0534-0.0001-0.0536 ( 2765 PWs) bands (ev): -45.9358 -45.9358 -22.6526 -22.6522 -21.9993 -21.9991 -21.9966 -21.9962 -14.4014 -14.4013 -6.4984 -6.4967 -5.8346 -5.8318 -5.8305 -5.8299 -0.9359 -0.9333 0.9715 0.9730 0.9908 0.9961 7.9218 7.9511 8.1138 8.1438 8.1689 8.1768 8.9209 8.9257 8.9525 8.9613 9.1880 9.1970 9.6186 9.7142 9.8725 9.9338 9.9897 10.0178 12.6947 12.7121 12.7672 12.7734 12.8602 12.8702 14.8605 14.8628 k = 0.0623-0.0002-0.0625 ( 2753 PWs) bands (ev): -45.9358 -45.9358 -22.6529 -22.6524 -21.9997 -21.9995 -21.9968 -21.9964 -14.3991 -14.3990 -6.4989 -6.4970 -5.8343 -5.8309 -5.8300 -5.8290 -0.9318 -0.9289 0.9726 0.9745 0.9991 1.0050 7.9019 7.9359 8.0896 8.1253 8.1584 8.1676 8.8914 8.8972 8.9332 8.9419 9.1783 9.1880 9.5811 9.6754 9.8679 9.9244 9.9865 10.0181 12.7000 12.7194 12.7927 12.8001 12.8737 12.8845 14.8740 14.8766 k = 0.0712-0.0002-0.0714 ( 2749 PWs) bands (ev): -45.9358 -45.9358 -22.6533 -22.6527 -22.0003 -21.9999 -21.9971 -21.9966 -14.3965 -14.3964 -6.4995 -6.4973 -5.8340 -5.8299 -5.8293 -5.8278 -0.9272 -0.9240 0.9739 0.9761 1.0086 1.0150 7.8784 7.9164 8.0636 8.1042 8.1467 8.1573 8.8577 8.8646 8.9109 8.9193 9.1699 9.1800 9.5414 9.6333 9.8616 9.9135 9.9815 10.0153 12.7073 12.7284 12.8215 12.8301 12.8894 12.9010 14.8892 14.8921 k = 0.0802-0.0002-0.0804 ( 2753 PWs) bands (ev): -45.9357 -45.9357 -22.6537 -22.6531 -22.0010 -22.0005 -21.9974 -21.9969 -14.3935 -14.3934 -6.5000 -6.4976 -5.8336 -5.8290 -5.8283 -5.8263 -0.9221 -0.9186 0.9754 0.9778 1.0190 1.0260 7.8511 7.8923 8.0363 8.0806 8.1343 8.1458 8.8203 8.8284 8.8858 8.8938 9.1629 9.1730 9.4998 9.5884 9.8535 9.9012 9.9746 10.0096 12.7168 12.7392 12.8530 12.8628 12.9074 12.9199 14.9057 14.9089 k = 0.0891-0.0002-0.0893 ( 2759 PWs) bands (ev): -45.9357 -45.9357 -22.6542 -22.6535 -22.0018 -22.0012 -21.9977 -21.9971 -14.3903 -14.3902 -6.5006 -6.4980 -5.8331 -5.8282 -5.8267 -5.8246 -0.9167 -0.9129 0.9771 0.9798 1.0304 1.0377 7.8200 7.8630 8.0082 8.0546 8.1213 8.1334 8.7797 8.7892 8.8583 8.8657 9.1573 9.1672 9.4567 9.5413 9.8435 9.8877 9.9657 10.0011 12.7287 12.7520 12.8867 12.8980 12.9277 12.9415 14.9236 14.9271 k = 0.0980-0.0003-0.0982 ( 2755 PWs) bands (ev): -45.9357 -45.9357 -22.6547 -22.6539 -22.0026 -22.0018 -21.9980 -21.9974 -14.3868 -14.3866 -6.5012 -6.4983 -5.8326 -5.8273 -5.8249 -5.8225 -0.9109 -0.9069 0.9790 0.9819 1.0426 1.0502 7.7850 7.8286 7.9793 8.0263 8.1078 8.1203 8.7363 8.7474 8.8285 8.8356 9.1529 9.1624 9.4124 9.4924 9.8319 9.8729 9.9549 9.9901 12.7431 12.7671 12.9217 12.9346 12.9509 12.9665 14.9425 14.9463 k = 0.1069-0.0003-0.1071 ( 2755 PWs) bands (ev): -45.9356 -45.9356 -22.6552 -22.6544 -22.0035 -22.0026 -21.9983 -21.9977 -14.3830 -14.3828 -6.5018 -6.4987 -5.8320 -5.8265 -5.8227 -5.8201 -0.9048 -0.9006 0.9810 0.9842 1.0553 1.0631 7.7464 7.7894 7.9493 7.9955 8.0942 8.1067 8.6907 8.7034 8.7969 8.8037 9.1494 9.1581 9.3675 9.4422 9.8188 9.8571 9.9423 9.9768 12.7599 12.7845 12.9568 12.9689 12.9802 12.9959 14.9624 14.9664 k = 0.1158-0.0003-0.1161 ( 2755 PWs) bands (ev): -45.9356 -45.9356 -22.6558 -22.6549 -22.0045 -22.0035 -21.9987 -21.9980 -14.3789 -14.3788 -6.5024 -6.4990 -5.8313 -5.8256 -5.8201 -5.8173 -0.8986 -0.8941 0.9831 0.9866 1.0686 1.0765 7.7045 7.7460 7.9179 7.9622 8.0804 8.0927 8.6435 8.6578 8.7638 8.7705 9.1462 9.1536 9.3228 9.3913 9.8043 9.8403 9.9282 9.9617 12.7793 12.8043 12.9907 12.9978 13.0185 13.0308 14.9830 14.9873 k = 0.1247-0.0003-0.1250 ( 2755 PWs) bands (ev): -45.9356 -45.9356 -22.6564 -22.6554 -22.0055 -22.0044 -21.9990 -21.9982 -14.3746 -14.3745 -6.5028 -6.4993 -5.8305 -5.8246 -5.8171 -5.8141 -0.8923 -0.8875 0.9854 0.9892 1.0821 1.0900 7.6595 7.6991 7.8844 7.9263 8.0666 8.0785 8.5949 8.6108 8.7295 8.7361 9.1424 9.1474 9.2801 9.3409 9.7886 9.8227 9.9129 9.9452 12.8011 12.8264 13.0231 13.0270 13.0602 13.0707 15.0041 15.0087 k = 0.1336-0.0003-0.1339 ( 2752 PWs) bands (ev): -45.9355 -45.9355 -22.6570 -22.6560 -22.0066 -22.0054 -21.9993 -21.9985 -14.3701 -14.3699 -6.5032 -6.4994 -5.8298 -5.8235 -5.8138 -5.8106 -0.8859 -0.8808 0.9878 0.9919 1.0958 1.1037 7.6121 7.6494 7.8488 7.8879 8.0527 8.0642 8.5454 8.5627 8.6943 8.7008 9.1346 9.1378 9.2430 9.2929 9.7717 9.8043 9.8966 9.9279 12.8253 12.8509 13.0549 13.0579 13.1038 13.1139 15.0257 15.0304 k = 0.1425-0.0004-0.1429 ( 2756 PWs) bands (ev): -45.9355 -45.9355 -22.6577 -22.6567 -22.0078 -22.0065 -21.9997 -21.9989 -14.3654 -14.3652 -6.5034 -6.4995 -5.8289 -5.8225 -5.8101 -5.8066 -0.8795 -0.8741 0.9903 0.9948 1.1095 1.1172 7.5624 7.5974 7.8107 7.8469 8.0387 8.0499 8.4951 8.5137 8.6585 8.6649 9.1133 9.1253 9.2170 9.2514 9.7537 9.7850 9.8801 9.9104 12.8519 12.8776 13.0873 13.0907 13.1488 13.1590 15.0474 15.0525 k = 0.1514-0.0004-0.1518 ( 2754 PWs) bands (ev): -45.9354 -45.9354 -22.6584 -22.6573 -22.0090 -22.0076 -22.0001 -21.9992 -14.3605 -14.3603 -6.5034 -6.4993 -5.8280 -5.8213 -5.8060 -5.8024 -0.8732 -0.8674 0.9930 0.9977 1.1229 1.1305 7.5111 7.5438 7.7702 7.8036 8.0245 8.0356 8.4443 8.4638 8.6223 8.6284 9.0793 9.1019 9.2040 9.2224 9.7344 9.7647 9.8638 9.8933 12.8806 12.9064 13.1209 13.1248 13.1951 13.2055 15.0693 15.0746 k = 0.1603-0.0004-0.1607 ( 2742 PWs) bands (ev): -45.9354 -45.9354 -22.6591 -22.6579 -22.0102 -22.0087 -22.0004 -21.9995 -14.3554 -14.3553 -6.5031 -6.4989 -5.8271 -5.8202 -5.8015 -5.7977 -0.8670 -0.8609 0.9956 1.0008 1.1359 1.1434 7.4584 7.4889 7.7274 7.7580 8.0100 8.0213 8.3929 8.4132 8.5859 8.5916 9.0380 9.0654 9.1995 9.2080 9.7138 9.7430 9.8485 9.8771 12.9115 12.9373 13.1557 13.1601 13.2423 13.2530 15.0912 15.0966 k = 0.1692-0.0004-0.1696 ( 2742 PWs) bands (ev): -45.9353 -45.9353 -22.6599 -22.6586 -22.0115 -22.0099 -22.0008 -21.9998 -14.3502 -14.3501 -6.5026 -6.4982 -5.8260 -5.8190 -5.7967 -5.7927 -0.8611 -0.8545 0.9984 1.0040 1.1483 1.1558 7.4048 7.4333 7.6823 7.7103 7.9952 8.0069 8.3411 8.3617 8.5495 8.5546 8.9939 9.0210 9.1992 9.2037 9.6917 9.7196 9.8349 9.8625 12.9444 12.9702 13.1918 13.1966 13.2903 13.3011 15.1128 15.1185 k = 0.1781-0.0005-0.1786 ( 2740 PWs) bands (ev): -45.9353 -45.9353 -22.6606 -22.6593 -22.0128 -22.0112 -22.0012 -22.0002 -14.3449 -14.3447 -6.5017 -6.4971 -5.8250 -5.8177 -5.7916 -5.7875 -0.8554 -0.8482 1.0011 1.0072 1.1600 1.1676 7.3507 7.3772 7.6352 7.6608 7.9799 7.9926 8.2888 8.3093 8.5133 8.5176 8.9496 8.9739 9.2010 9.2047 9.6682 9.6945 9.8235 9.8499 12.9791 13.0048 13.2289 13.2341 13.3387 13.3497 15.1342 15.1401 k = 0.1870-0.0005-0.1875 ( 2742 PWs) bands (ev): -45.9352 -45.9352 -22.6614 -22.6601 -22.0142 -22.0125 -22.0016 -22.0006 -14.3395 -14.3393 -6.5004 -6.4957 -5.8239 -5.8164 -5.7863 -5.7819 -0.8500 -0.8423 1.0038 1.0104 1.1706 1.1787 7.2964 7.3210 7.5864 7.6096 7.9640 7.9781 8.2359 8.2559 8.4772 8.4807 8.9064 8.9270 9.2045 9.2084 9.6430 9.6675 9.8147 9.8396 13.0155 13.0412 13.2669 13.2724 13.3876 13.3987 15.1552 15.1613 k = 0.1959-0.0005-0.1964 ( 2742 PWs) bands (ev): -45.9352 -45.9352 -22.6622 -22.6609 -22.0155 -22.0138 -22.0019 -22.0009 -14.3340 -14.3338 -6.4986 -6.4938 -5.8227 -5.8151 -5.7807 -5.7762 -0.8449 -0.8366 1.0065 1.0137 1.1801 1.1889 7.2421 7.2650 7.5360 7.5572 7.9472 7.9635 8.1822 8.2016 8.4414 8.4441 8.8654 8.8822 9.2093 9.2136 9.6165 9.6388 9.8087 9.8319 13.0534 13.0790 13.3057 13.3115 13.4367 13.4479 15.1757 15.1820 k = 0.2048-0.0005-0.2054 ( 2746 PWs) bands (ev): -45.9351 -45.9351 -22.6631 -22.6617 -22.0170 -22.0152 -22.0024 -22.0013 -14.3284 -14.3283 -6.4963 -6.4914 -5.8216 -5.8138 -5.7749 -5.7703 -0.8403 -0.8312 1.0090 1.0170 1.1885 1.1982 7.1881 7.2095 7.4844 7.5037 7.9292 7.9487 8.1278 8.1464 8.4060 8.4076 8.8275 8.8406 9.2151 9.2196 9.5886 9.6086 9.8054 9.8268 13.0927 13.1183 13.3450 13.3511 13.4859 13.4972 15.1956 15.2021 k = 0.2137-0.0006-0.2143 ( 2742 PWs) bands (ev): -45.9351 -45.9351 -22.6639 -22.6625 -22.0184 -22.0166 -22.0027 -22.0017 -14.3229 -14.3227 -6.4935 -6.4885 -5.8203 -5.8124 -5.7691 -5.7643 -0.8360 -0.8262 1.0115 1.0202 1.1955 1.2066 7.1346 7.1546 7.4319 7.4493 7.9095 7.9338 8.0726 8.0908 8.3707 8.3715 8.7932 8.8030 9.2216 9.2264 9.5596 9.5774 9.8049 9.8244 13.1333 13.1587 13.3847 13.3911 13.5351 13.5464 15.2149 15.2216 k = 0.2226-0.0006-0.2232 ( 2740 PWs) bands (ev): -45.9350 -45.9350 -22.6647 -22.6633 -22.0198 -22.0180 -22.0031 -22.0021 -14.3173 -14.3171 -6.4900 -6.4850 -5.8191 -5.8110 -5.7631 -5.7582 -0.8321 -0.8216 1.0137 1.0233 1.2013 1.2139 7.0818 7.1005 7.3787 7.3944 7.8870 7.9188 8.0161 8.0362 8.3356 8.3358 8.7632 8.7703 9.2285 9.2336 9.5297 9.5453 9.8069 9.8245 13.1749 13.2002 13.4247 13.4313 13.5843 13.5956 15.2334 15.2403 k = 0.2315-0.0006-0.2321 ( 2740 PWs) bands (ev): -45.9349 -45.9349 -22.6655 -22.6641 -22.0213 -22.0194 -22.0035 -22.0024 -14.3117 -14.3115 -6.4859 -6.4808 -5.8178 -5.8096 -5.7572 -5.7522 -0.8287 -0.8175 1.0157 1.0262 1.2057 1.2200 7.0299 7.0474 7.3250 7.3391 7.8599 7.9036 7.9578 7.9851 8.3002 8.3007 8.7379 8.7429 9.2359 9.2413 9.4991 9.5127 9.8114 9.8271 13.2175 13.2426 13.4647 13.4716 13.6333 13.6445 15.2511 15.2582 k = 0.2405-0.0006-0.2411 ( 2738 PWs) bands (ev): -45.9349 -45.9349 -22.6664 -22.6649 -22.0227 -22.0208 -22.0039 -22.0028 -14.3061 -14.3059 -6.4811 -6.4759 -5.8164 -5.8082 -5.7513 -5.7462 -0.8257 -0.8137 1.0173 1.0289 1.2089 1.2251 6.9790 6.9953 7.2711 7.2838 7.8254 7.8880 7.8979 7.9408 8.2650 8.2659 8.7177 8.7211 9.2434 9.2492 9.4682 9.4798 9.8181 9.8321 13.2608 13.2858 13.5046 13.5117 13.6819 13.6931 15.2680 15.2752 k = 0.2494-0.0006-0.2500 ( 2742 PWs) bands (ev): -45.9348 -45.9348 -22.6672 -22.6658 -22.0242 -22.0222 -22.0043 -22.0032 -14.3006 -14.3004 -6.4756 -6.4703 -5.8151 -5.8068 -5.7456 -5.7404 -0.8232 -0.8105 1.0186 1.0313 1.2109 1.2292 6.9292 6.9445 7.2171 7.2285 7.7818 7.8354 7.8731 7.9050 8.2301 8.2312 8.7028 8.7052 9.2510 9.2572 9.4371 9.4472 9.8270 9.8393 13.3047 13.3296 13.5443 13.5517 13.7302 13.7413 15.2840 15.2914 k = 0.2583-0.0007-0.2589 ( 2738 PWs) bands (ev): -45.9348 -45.9348 -22.6680 -22.6666 -22.0256 -22.0237 -22.0047 -22.0036 -14.2951 -14.2950 -6.4692 -6.4639 -5.8137 -5.8054 -5.7402 -5.7348 -0.8212 -0.8077 1.0194 1.0333 1.2118 1.2322 6.8806 6.8949 7.1634 7.1736 7.7303 7.7723 7.8576 7.8766 8.1956 8.1966 8.6932 8.6950 9.2583 9.2652 9.4062 9.4152 9.8378 9.8486 13.3491 13.3738 13.5836 13.5912 13.7780 13.7889 15.2991 15.3066 k = 0.2672-0.0007-0.2679 ( 2738 PWs) bands (ev): -45.9347 -45.9347 -22.6689 -22.6674 -22.0270 -22.0251 -22.0051 -22.0039 -14.2897 -14.2896 -6.4621 -6.4567 -5.8124 -5.8040 -5.7350 -5.7296 -0.8196 -0.8054 1.0196 1.0348 1.2118 1.2344 6.8332 6.8466 7.1101 7.1192 7.6739 7.7084 7.8419 7.8531 8.1614 8.1624 8.6887 8.6902 9.2650 9.2727 9.3760 9.3847 9.8504 9.8597 13.3939 13.4183 13.6225 13.6302 13.8252 13.8360 15.3132 15.3208 k = 0.2761-0.0007-0.2768 ( 2736 PWs) bands (ev): -45.9347 -45.9347 -22.6697 -22.6682 -22.0284 -22.0265 -22.0054 -22.0043 -14.2844 -14.2843 -6.4542 -6.4487 -5.8110 -5.8026 -5.7301 -5.7247 -0.8185 -0.8036 1.0192 1.0356 1.2111 1.2357 6.7871 6.7997 7.0574 7.0654 7.6148 7.6441 7.8259 7.8327 8.1278 8.1285 8.6891 8.6907 9.2696 9.2791 9.3473 9.3575 9.8646 9.8726 13.4387 13.4630 13.6607 13.6686 13.8718 13.8824 15.3263 15.3340 k = 0.2850-0.0007-0.2857 ( 2730 PWs) bands (ev): -45.9346 -45.9346 -22.6705 -22.6690 -22.0298 -22.0279 -22.0058 -22.0047 -14.2792 -14.2791 -6.4454 -6.4400 -5.8096 -5.8011 -5.7257 -5.7202 -0.8179 -0.8023 1.0181 1.0357 1.2098 1.2364 6.7423 6.7542 7.0055 7.0126 7.5543 7.5798 7.8091 7.8149 8.0948 8.0951 8.6940 8.6960 9.2686 9.2815 9.3230 9.3374 9.8803 9.8869 13.4836 13.5076 13.6982 13.7062 13.9176 13.9280 15.3384 15.3463 k = 0.2939-0.0008-0.2946 ( 2728 PWs) bands (ev): -45.9345 -45.9345 -22.6713 -22.6699 -22.0312 -22.0293 -22.0061 -22.0050 -14.2742 -14.2741 -6.4359 -6.4304 -5.8082 -5.7998 -5.7218 -5.7162 -0.8176 -0.8016 1.0162 1.0348 1.2082 1.2366 6.6989 6.7101 6.9545 6.9607 7.4933 7.5157 7.7920 7.7989 8.0623 8.0624 8.7028 8.7054 9.2573 9.2717 9.3120 9.3291 9.8971 9.9026 13.5283 13.5521 13.7348 13.7430 13.9625 13.9726 15.3494 15.3574 k = 0.3028-0.0008-0.3036 ( 2728 PWs) bands (ev): -45.9345 -45.9345 -22.6721 -22.6707 -22.0325 -22.0306 -22.0065 -22.0054 -14.2693 -14.2692 -6.4255 -6.4199 -5.8068 -5.7984 -5.7184 -5.7128 -0.8178 -0.8013 1.0134 1.0330 1.2066 1.2365 6.6570 6.6674 6.9047 6.9100 7.4324 7.4523 7.7752 7.7837 8.0303 8.0308 8.7149 8.7184 9.2375 9.2507 9.3145 9.3307 9.9150 9.9195 13.5728 13.5963 13.7705 13.7788 14.0064 14.0163 15.3595 15.3676 k = 0.3117-0.0008-0.3125 ( 2728 PWs) bands (ev): -45.9344 -45.9344 -22.6729 -22.6715 -22.0339 -22.0320 -22.0068 -22.0057 -14.2645 -14.2644 -6.4143 -6.4088 -5.8055 -5.7970 -5.7156 -5.7099 -0.8184 -0.8014 1.0098 1.0300 1.2051 1.2361 6.6165 6.6262 6.8562 6.8607 7.3721 7.3898 7.7590 7.7691 7.9992 8.0001 8.7295 8.7340 9.2152 9.2280 9.3209 9.3368 9.9338 9.9372 13.6168 13.6400 13.8051 13.8136 14.0493 14.0588 15.3686 15.3767 k = 0.3206-0.0008-0.3214 ( 2730 PWs) bands (ev): -45.9344 -45.9344 -22.6736 -22.6723 -22.0351 -22.0333 -22.0071 -22.0061 -14.2599 -14.2598 -6.4023 -6.3968 -5.8042 -5.7957 -5.7135 -5.7078 -0.8194 -0.8021 1.0053 1.0258 1.2039 1.2358 6.5774 6.5865 6.8091 6.8128 7.3127 7.3284 7.7436 7.7549 7.9690 7.9703 8.7458 8.7513 9.1937 9.2073 9.3286 9.3448 9.9532 9.9558 13.6601 13.6830 13.8386 13.8473 14.0910 14.1002 15.3766 15.3848 k = 0.3295-0.0009-0.3304 ( 2732 PWs) bands (ev): -45.9343 -45.9343 -22.6744 -22.6730 -22.0364 -22.0346 -22.0074 -22.0064 -14.2555 -14.2554 -6.3896 -6.3841 -5.8028 -5.7944 -5.7121 -5.7063 -0.8207 -0.8031 0.9999 1.0205 1.2032 1.2354 6.5398 6.5483 6.7636 6.7666 7.2545 7.2685 7.7289 7.7411 7.9398 7.9415 8.7625 8.7690 9.1750 9.1898 9.3368 9.3537 9.9730 9.9750 13.7028 13.7253 13.8710 13.8797 14.1313 14.1402 15.3837 15.3919 k = 0.3384-0.0009-0.3393 ( 2736 PWs) bands (ev): -45.9343 -45.9343 -22.6751 -22.6738 -22.0376 -22.0359 -22.0078 -22.0068 -14.2513 -14.2512 -6.3762 -6.3707 -5.8016 -5.7932 -5.7115 -5.7056 -0.8222 -0.8046 0.9936 1.0140 1.2031 1.2352 6.5037 6.5116 6.7198 6.7221 7.1979 7.2103 7.7150 7.7279 7.9116 7.9137 8.7783 8.7858 9.1604 9.1768 9.3451 9.3630 9.9930 9.9946 13.7446 13.7667 13.9020 13.9109 14.1703 14.1788 15.3898 15.3980 k = 0.3473-0.0009-0.3482 ( 2728 PWs) bands (ev): -45.9342 -45.9342 -22.6757 -22.6745 -22.0387 -22.0370 -22.0080 -22.0071 -14.2472 -14.2471 -6.3622 -6.3567 -5.8003 -5.7920 -5.7116 -5.7057 -0.8241 -0.8064 0.9867 1.0066 1.2036 1.2352 6.4692 6.4764 6.6780 6.6795 7.1430 7.1540 7.7019 7.7151 7.8847 7.8871 8.7919 8.8001 9.1513 9.1695 9.3535 9.3725 10.0130 10.0146 13.7853 13.8070 13.9318 13.9407 14.2077 14.2158 15.3950 15.4031 k = 0.3562-0.0009-0.3571 ( 2722 PWs) bands (ev): -45.9342 -45.9342 -22.6763 -22.6751 -22.0398 -22.0382 -22.0082 -22.0073 -14.2434 -14.2433 -6.3476 -6.3422 -5.7991 -5.7908 -5.7125 -5.7066 -0.8261 -0.8086 0.9791 0.9983 1.2046 1.2353 6.4361 6.4427 6.6382 6.6390 7.0901 7.0998 7.6895 7.7029 7.8589 7.8617 8.8018 8.8105 9.1489 9.1687 9.3620 9.3823 10.0329 10.0346 13.8248 13.8461 13.9601 13.9692 14.2436 14.2512 15.3993 15.4074 k = 0.3651-0.0009-0.3661 ( 2722 PWs) bands (ev): -45.9341 -45.9341 -22.6770 -22.6758 -22.0408 -22.0393 -22.0085 -22.0076 -14.2397 -14.2396 -6.3325 -6.3271 -5.7980 -5.7897 -5.7142 -5.7082 -0.8284 -0.8111 0.9710 0.9894 1.2062 1.2357 6.4046 6.4106 6.6004 6.6008 7.0393 7.0478 7.6780 7.6913 7.8343 7.8375 8.8072 8.8159 9.1536 9.1749 9.3704 9.3922 10.0526 10.0545 13.8630 13.8839 13.9869 13.9962 14.2777 14.2849 15.4027 15.4107 k = 0.3740-0.0010-0.3750 ( 2728 PWs) bands (ev): -45.9341 -45.9341 -22.6776 -22.6765 -22.0419 -22.0404 -22.0088 -22.0079 -14.2363 -14.2362 -6.3170 -6.3117 -5.7969 -5.7886 -5.7167 -5.7107 -0.8307 -0.8138 0.9627 0.9800 1.2081 1.2363 6.3746 6.3800 6.5646 6.5652 6.9909 6.9983 7.6673 7.6804 7.8110 7.8144 8.8081 8.8162 9.1651 9.1877 9.3788 9.4023 10.0718 10.0741 13.8997 13.9201 14.0123 14.0217 14.3100 14.3168 15.4054 15.4132 k = 0.3829-0.0010-0.3839 ( 2728 PWs) bands (ev): -45.9341 -45.9341 -22.6781 -22.6771 -22.0428 -22.0414 -22.0090 -22.0082 -14.2331 -14.2330 -6.3012 -6.2960 -5.7959 -5.7876 -5.7200 -5.7138 -0.8331 -0.8167 0.9541 0.9704 1.2104 1.2370 6.3463 6.3510 6.5310 6.5323 6.9450 6.9514 7.6575 7.6702 7.7890 7.7926 8.8048 8.8121 9.1823 9.2062 9.3872 9.4125 10.0906 10.0931 13.9348 13.9547 14.0361 14.0458 14.3404 14.3467 15.4074 15.4150 k = 0.3918-0.0010-0.3929 ( 2730 PWs) bands (ev): -45.9340 -45.9340 -22.6786 -22.6777 -22.0437 -22.0424 -22.0092 -22.0084 -14.2301 -14.2300 -6.2852 -6.2802 -5.7950 -5.7867 -5.7239 -5.7177 -0.8355 -0.8198 0.9455 0.9607 1.2130 1.2379 6.3195 6.3236 6.4999 6.5017 6.9018 6.9073 7.6486 7.6608 7.7682 7.7721 8.7984 8.8047 9.2036 9.2287 9.3958 9.4229 10.1086 10.1114 13.9681 13.9875 14.0583 14.0682 14.3688 14.3747 15.4087 15.4161 k = 0.4008-0.0010-0.4018 ( 2734 PWs) bands (ev): -45.9340 -45.9340 -22.6791 -22.6782 -22.0445 -22.0433 -22.0094 -22.0087 -14.2273 -14.2273 -6.2692 -6.2643 -5.7942 -5.7858 -5.7286 -5.7222 -0.8379 -0.8229 0.9371 0.9511 1.2157 1.2388 6.2944 6.2980 6.4714 6.4738 6.8614 6.8660 7.6406 7.6521 7.7488 7.7528 8.7898 8.7951 9.2271 9.2537 9.4047 9.4337 10.1259 10.1289 13.9995 14.0184 14.0789 14.0890 14.3952 14.4006 15.4095 15.4166 k = 0.4097-0.0011-0.4107 ( 2732 PWs) bands (ev): -45.9340 -45.9340 -22.6795 -22.6787 -22.0452 -22.0441 -22.0095 -22.0089 -14.2248 -14.2248 -6.2533 -6.2486 -5.7935 -5.7850 -5.7337 -5.7272 -0.8402 -0.8261 0.9289 0.9417 1.2185 1.2397 6.2709 6.2741 6.4456 6.4483 6.8239 6.8278 7.6335 7.6443 7.7306 7.7349 8.7800 8.7843 9.2515 9.2794 9.4141 9.4448 10.1423 10.1454 14.0287 14.0472 14.0978 14.1083 14.4194 14.4243 15.4098 15.4165 k = 0.4186-0.0011-0.4196 ( 2732 PWs) bands (ev): -45.9339 -45.9339 -22.6799 -22.6792 -22.0459 -22.0449 -22.0097 -22.0091 -14.2225 -14.2225 -6.2377 -6.2332 -5.7929 -5.7843 -5.7394 -5.7326 -0.8424 -0.8293 0.9212 0.9328 1.2214 1.2406 6.2493 6.2520 6.4224 6.4254 6.7895 6.7927 7.6274 7.6375 7.7138 7.7181 8.7696 8.7732 9.2754 9.3042 9.4244 9.4563 10.1576 10.1607 14.0558 14.0738 14.1150 14.1258 14.4415 14.4460 15.4097 15.4160 k = 0.4275-0.0011-0.4286 ( 2728 PWs) bands (ev): -45.9339 -45.9339 -22.6803 -22.6796 -22.0465 -22.0455 -22.0098 -22.0093 -14.2204 -14.2204 -6.2226 -6.2184 -5.7924 -5.7836 -5.7453 -5.7383 -0.8444 -0.8324 0.9141 0.9245 1.2242 1.2414 6.2295 6.2319 6.4019 6.4051 6.7583 6.7609 7.6223 7.6316 7.6983 7.7027 8.7593 8.7622 9.2977 9.3266 9.4360 9.4681 10.1717 10.1747 14.0805 14.0980 14.1305 14.1417 14.4614 14.4654 15.4093 15.4151 k = 0.4364-0.0011-0.4375 ( 2732 PWs) bands (ev): -45.9339 -45.9339 -22.6806 -22.6800 -22.0470 -22.0462 -22.0099 -22.0095 -14.2186 -14.2186 -6.2082 -6.2043 -5.7921 -5.7831 -5.7513 -5.7440 -0.8462 -0.8354 0.9075 0.9167 1.2270 1.2421 6.2117 6.2137 6.3840 6.3873 6.7304 6.7324 7.6183 7.6267 7.6842 7.6886 8.7495 8.7518 9.3178 9.3456 9.4492 9.4801 10.1845 10.1874 14.1026 14.1197 14.1442 14.1559 14.4790 14.4825 15.4087 15.4140 k = 0.4453-0.0012-0.4464 ( 2726 PWs) bands (ev): -45.9339 -45.9339 -22.6808 -22.6803 -22.0475 -22.0467 -22.0100 -22.0096 -14.2170 -14.2170 -6.1948 -6.1913 -5.7920 -5.7828 -5.7572 -5.7497 -0.8477 -0.8383 0.9018 0.9097 1.2296 1.2427 6.1960 6.1977 6.3688 6.3719 6.7059 6.7074 7.6152 7.6228 7.6714 7.6757 8.7405 8.7423 9.3352 9.3606 9.4638 9.4920 10.1959 10.1985 14.1222 14.1388 14.1563 14.1684 14.4944 14.4974 15.4080 15.4127 k = 0.4542-0.0012-0.4554 ( 2724 PWs) bands (ev): -45.9338 -45.9338 -22.6810 -22.6806 -22.0478 -22.0472 -22.0101 -22.0097 -14.2157 -14.2156 -6.1827 -6.1795 -5.7919 -5.7828 -5.7626 -5.7549 -0.8489 -0.8409 0.8969 0.9036 1.2321 1.2430 6.1825 6.1839 6.3560 6.3589 6.6848 6.6860 7.6133 7.6201 7.6599 7.6642 8.7326 8.7339 9.3498 9.3717 9.4789 9.5033 10.2059 10.2082 14.1390 14.1548 14.1669 14.1791 14.5075 14.5100 15.4073 15.4114 k = 0.4631-0.0012-0.4643 ( 2728 PWs) bands (ev): -45.9338 -45.9338 -22.6812 -22.6809 -22.0481 -22.0476 -22.0101 -22.0099 -14.2145 -14.2145 -6.1720 -6.1694 -5.7920 -5.7833 -5.7671 -5.7597 -0.8498 -0.8433 0.8929 0.8983 1.2343 1.2432 6.1712 6.1723 6.3458 6.3483 6.6674 6.6682 7.6124 7.6185 7.6497 7.6539 8.7258 8.7268 9.3617 9.3794 9.4935 9.5134 10.2142 10.2161 14.1530 14.1673 14.1764 14.1879 14.5183 14.5204 15.4067 15.4101 k = 0.4720-0.0012-0.4732 ( 2728 PWs) bands (ev): -45.9338 -45.9338 -22.6814 -22.6811 -22.0484 -22.0480 -22.0102 -22.0100 -14.2137 -14.2136 -6.1632 -6.1611 -5.7921 -5.7845 -5.7702 -5.7637 -0.8504 -0.8453 0.8898 0.8939 1.2364 1.2431 6.1623 6.1632 6.3379 6.3399 6.6536 6.6542 7.6126 7.6181 7.6408 7.6450 8.7204 8.7211 9.3711 9.3845 9.5065 9.5216 10.2208 10.2224 14.1643 14.1756 14.1855 14.1948 14.5269 14.5284 15.4063 15.4088 k = 0.4809-0.0012-0.4821 ( 2728 PWs) bands (ev): -45.9338 -45.9338 -22.6814 -22.6813 -22.0485 -22.0482 -22.0102 -22.0101 -14.2130 -14.2130 -6.1564 -6.1549 -5.7920 -5.7864 -5.7717 -5.7669 -0.8506 -0.8471 0.8878 0.8906 1.2381 1.2427 6.1558 6.1564 6.3323 6.3338 6.6435 6.6439 7.6139 7.6189 7.6332 7.6373 8.7165 8.7169 9.3783 9.3873 9.5172 9.5274 10.2258 10.2269 14.1728 14.1805 14.1931 14.1995 14.5331 14.5342 15.4060 15.4078 k = 0.4898-0.0013-0.4911 ( 2724 PWs) bands (ev): -45.9338 -45.9338 -22.6815 -22.6814 -22.0486 -22.0484 -22.0102 -22.0101 -14.2126 -14.2126 -6.1519 -6.1511 -5.7916 -5.7885 -5.7719 -5.7693 -0.8504 -0.8485 0.8867 0.8882 1.2397 1.2421 6.1518 6.1522 6.3291 6.3298 6.6373 6.6375 7.6164 7.6209 7.6269 7.6310 8.7140 8.7142 9.3834 9.3881 9.5249 9.5304 10.2290 10.2296 14.1787 14.1828 14.1987 14.2020 14.5371 14.5377 15.4060 15.4069 k = 0.4987-0.0013-0.5000 ( 2716 PWs) bands (ev): -45.9338 -45.9338 -22.6814 -22.6814 -22.0485 -22.0485 -22.0101 -22.0101 -14.2125 -14.2125 -6.1499 -6.1498 -5.7906 -5.7902 -5.7712 -5.7709 -0.8498 -0.8496 0.8867 0.8869 1.2409 1.2412 6.1503 6.1504 6.3280 6.3281 6.6349 6.6349 7.6199 7.6210 7.6250 7.6261 8.7131 8.7131 9.3866 9.3872 9.5295 9.5301 10.2304 10.2305 14.1820 14.1826 14.2017 14.2021 14.5388 14.5389 15.4062 15.4063 k = 0.5013 0.4974-0.0026 ( 2716 PWs) bands (ev): -45.9338 -45.9338 -22.6814 -22.6814 -22.0485 -22.0485 -22.0101 -22.0101 -14.2125 -14.2125 -6.1499 -6.1498 -5.7906 -5.7902 -5.7713 -5.7709 -0.8498 -0.8496 0.8867 0.8869 1.2409 1.2412 6.1503 6.1504 6.3280 6.3281 6.6349 6.6349 7.6199 7.6210 7.6250 7.6261 8.7131 8.7132 9.3866 9.3872 9.5295 9.5302 10.2304 10.2305 14.1820 14.1826 14.2017 14.2021 14.5388 14.5389 15.4062 15.4063 k = 0.5000 0.4987-0.0026 ( 2716 PWs) bands (ev): -45.9338 -45.9338 -22.6814 -22.6814 -22.0485 -22.0485 -22.0101 -22.0101 -14.2125 -14.2125 -6.1498 -6.1498 -5.7904 -5.7904 -5.7711 -5.7711 -0.8497 -0.8497 0.8868 0.8868 1.2411 1.2411 6.1503 6.1503 6.3280 6.3280 6.6348 6.6348 7.6204 7.6204 7.6255 7.6255 8.7131 8.7131 9.3869 9.3869 9.5299 9.5299 10.2305 10.2305 14.1823 14.1823 14.2020 14.2020 14.5389 14.5389 15.4063 15.4063 k = 0.5000 0.4987-0.0026 ( 2716 PWs) bands (ev): -45.9338 -45.9338 -22.6814 -22.6814 -22.0485 -22.0485 -22.0101 -22.0101 -14.2125 -14.2125 -6.1498 -6.1498 -5.7904 -5.7904 -5.7711 -5.7711 -0.8497 -0.8497 0.8868 0.8868 1.2411 1.2411 6.1503 6.1503 6.3280 6.3280 6.6348 6.6348 7.6204 7.6204 7.6255 7.6255 8.7131 8.7131 9.3869 9.3869 9.5299 9.5299 10.2305 10.2305 14.1823 14.1823 14.2020 14.2020 14.5389 14.5389 15.4063 15.4063 k = 0.5000 0.4987 0.0099 ( 2718 PWs) bands (ev): -45.9338 -45.9338 -22.6815 -22.6814 -22.0485 -22.0485 -22.0102 -22.0101 -14.2124 -14.2124 -6.1491 -6.1490 -5.7903 -5.7900 -5.7709 -5.7709 -0.8521 -0.8494 0.8856 0.8856 1.2372 1.2408 6.1500 6.1508 6.3308 6.3309 6.6348 6.6348 7.6208 7.6212 7.6266 7.6266 8.7085 8.7089 9.3881 9.3881 9.5304 9.5307 10.2306 10.2306 14.1821 14.1835 14.2024 14.2026 14.5392 14.5393 15.4109 15.4120 k = 0.5001 0.4988 0.0223 ( 2724 PWs) bands (ev): -45.9338 -45.9338 -22.6816 -22.6814 -22.0485 -22.0485 -22.0105 -22.0103 -14.2121 -14.2121 -6.1468 -6.1466 -5.7896 -5.7891 -5.7702 -5.7702 -0.8566 -0.8511 0.8820 0.8821 1.2292 1.2364 6.1499 6.1514 6.3391 6.3395 6.6348 6.6348 7.6221 7.6231 7.6299 7.6299 8.6951 8.6959 9.3915 9.3916 9.5322 9.5329 10.2309 10.2309 14.1827 14.1857 14.2038 14.2043 14.5403 14.5404 15.4257 15.4281 k = 0.5001 0.4988 0.0347 ( 2724 PWs) bands (ev): -45.9338 -45.9338 -22.6817 -22.6815 -22.0485 -22.0485 -22.0108 -22.0105 -14.2116 -14.2116 -6.1430 -6.1427 -5.7884 -5.7876 -5.7691 -5.7691 -0.8631 -0.8550 0.8761 0.8762 1.2172 1.2280 6.1501 6.1521 6.3530 6.3537 6.6348 6.6348 7.6243 7.6260 7.6355 7.6355 8.6732 8.6744 9.3973 9.3973 9.5354 9.5363 10.2314 10.2314 14.1841 14.1886 14.2065 14.2075 14.5421 14.5423 15.4506 15.4540 k = 0.5001 0.4988 0.0472 ( 2724 PWs) bands (ev): -45.9338 -45.9338 -22.6819 -22.6816 -22.0485 -22.0485 -22.0112 -22.0109 -14.2109 -14.2109 -6.1377 -6.1373 -5.7867 -5.7855 -5.7675 -5.7675 -0.8717 -0.8609 0.8679 0.8680 1.2013 1.2155 6.1503 6.1528 6.3724 6.3734 6.6348 6.6348 7.6273 7.6297 7.6432 7.6434 8.6433 8.6448 9.4052 9.4052 9.5399 9.5411 10.2321 10.2322 14.1862 14.1921 14.2108 14.2122 14.5446 14.5448 15.4850 15.4893 k = 0.5002 0.4989 0.0596 ( 2732 PWs) bands (ev): -45.9338 -45.9338 -22.6821 -22.6818 -22.0485 -22.0484 -22.0118 -22.0114 -14.2100 -14.2100 -6.1309 -6.1305 -5.7844 -5.7830 -5.7655 -5.7655 -0.8822 -0.8688 0.8574 0.8576 1.1818 1.1993 6.1506 6.1534 6.3970 6.3984 6.6347 6.6347 7.6311 7.6342 7.6530 7.6533 8.6059 8.6076 9.4151 9.4152 9.5458 9.5472 10.2330 10.2331 14.1891 14.1961 14.2169 14.2186 14.5479 14.5481 15.5282 15.5333 k = 0.5002 0.4989 0.0720 ( 2734 PWs) bands (ev): -45.9338 -45.9338 -22.6824 -22.6819 -22.0484 -22.0484 -22.0125 -22.0120 -14.2089 -14.2089 -6.1227 -6.1221 -5.7816 -5.7799 -5.7631 -5.7630 -0.8945 -0.8786 0.8449 0.8450 1.1588 1.1794 6.1510 6.1539 6.4268 6.4285 6.6347 6.6347 7.6355 7.6395 7.6646 7.6651 8.5616 8.5634 9.4271 9.4273 9.5530 9.5546 10.2341 10.2342 14.1929 14.2006 14.2249 14.2268 14.5518 14.5521 15.5796 15.5854 k = 0.5002 0.4989 0.0845 ( 2739 PWs) bands (ev): -45.9337 -45.9337 -22.6827 -22.6822 -22.0484 -22.0483 -22.0132 -22.0127 -14.2077 -14.2077 -6.1130 -6.1124 -5.7784 -5.7764 -5.7602 -5.7602 -0.9086 -0.8904 0.8302 0.8304 1.1326 1.1562 6.1514 6.1543 6.4613 6.4632 6.6347 6.6348 7.6404 7.6453 7.6779 7.6785 8.5112 8.5131 9.4411 9.4414 9.5615 9.5633 10.2354 10.2355 14.1977 14.2060 14.2347 14.2366 14.5565 14.5567 15.6383 15.6446 k = 0.5003 0.4990 0.0969 ( 2738 PWs) bands (ev): -45.9337 -45.9337 -22.6829 -22.6824 -22.0483 -22.0483 -22.0141 -22.0134 -14.2063 -14.2063 -6.1020 -6.1013 -5.7746 -5.7724 -5.7570 -5.7569 -0.9244 -0.9039 0.8137 0.8139 1.1034 1.1298 6.1517 6.1547 6.5004 6.5023 6.6347 6.6349 7.6457 7.6516 7.6925 7.6933 8.4554 8.4572 9.4569 9.4574 9.5715 9.5733 10.2369 10.2370 14.2038 14.2123 14.2463 14.2481 14.5618 14.5620 15.7035 15.7102 k = 0.5003 0.4990 0.1093 ( 2741 PWs) bands (ev): -45.9337 -45.9337 -22.6833 -22.6827 -22.0483 -22.0482 -22.0150 -22.0142 -14.2047 -14.2047 -6.0897 -6.0889 -5.7704 -5.7679 -5.7533 -5.7533 -0.9418 -0.9191 0.7953 0.7955 1.0717 1.1006 6.1520 6.1549 6.5436 6.5451 6.6347 6.6353 7.6511 7.6581 7.7082 7.7092 8.3951 8.3968 9.4747 9.4753 9.5828 9.5848 10.2386 10.2387 14.2113 14.2199 14.2593 14.2611 14.5677 14.5679 15.7741 15.7811 k = 0.5003 0.4990 0.1218 ( 2738 PWs) bands (ev): -45.9337 -45.9337 -22.6836 -22.6830 -22.0482 -22.0481 -22.0160 -22.0152 -14.2030 -14.2029 -6.0761 -6.0752 -5.7657 -5.7629 -5.7493 -5.7493 -0.9607 -0.9360 0.7752 0.7755 1.0376 1.0688 6.1522 6.1550 6.5903 6.5906 6.6349 6.6365 7.6564 7.6646 7.7245 7.7258 8.3314 8.3329 9.4944 9.4952 9.5957 9.5976 10.2404 10.2405 14.2203 14.2287 14.2739 14.2755 14.5742 14.5744 15.8494 15.8565 k = 0.5004 0.4991 0.1342 ( 2736 PWs) bands (ev): -45.9336 -45.9336 -22.6840 -22.6833 -22.0481 -22.0481 -22.0170 -22.0161 -14.2011 -14.2011 -6.0614 -6.0604 -5.7607 -5.7576 -5.7450 -5.7449 -0.9809 -0.9543 0.7537 0.7540 1.0016 1.0348 6.1523 6.1549 6.6274 6.6328 6.6428 6.6495 7.6612 7.6707 7.7410 7.7428 8.2653 8.2665 9.5159 9.5169 9.6100 9.6120 10.2423 10.2425 14.2307 14.2390 14.2898 14.2912 14.5813 14.5815 15.9283 15.9355 k = 0.5004 0.4991 0.1467 ( 2735 PWs) bands (ev): -45.9336 -45.9336 -22.6844 -22.6837 -22.0480 -22.0480 -22.0181 -22.0172 -14.1991 -14.1990 -6.0456 -6.0445 -5.7552 -5.7519 -5.7403 -5.7402 -1.0023 -0.9740 0.7307 0.7311 0.9639 0.9989 6.1522 6.1548 6.6325 6.6344 6.6943 6.6969 7.6650 7.6758 7.7571 7.7593 8.1986 8.1991 9.5393 9.5404 9.6260 9.6279 10.2444 10.2447 14.2426 14.2507 14.3069 14.3082 14.5890 14.5890 16.0099 16.0171 k = 0.5004 0.4991 0.1591 ( 2736 PWs) bands (ev): -45.9336 -45.9336 -22.6849 -22.6841 -22.0479 -22.0479 -22.0193 -22.0184 -14.1969 -14.1969 -6.0288 -6.0276 -5.7494 -5.7458 -5.7354 -5.7353 -1.0247 -0.9949 0.7066 0.7070 0.9248 0.9613 6.1520 6.1544 6.6333 6.6345 6.7497 6.7507 7.6668 7.6787 7.7719 7.7747 8.1330 8.1334 9.5644 9.5657 9.6435 9.6455 10.2467 10.2470 14.2560 14.2637 14.3252 14.3264 14.5971 14.5971 16.0932 16.1005 k = 0.5004 0.4992 0.1715 ( 2730 PWs) bands (ev): -45.9335 -45.9335 -22.6853 -22.6844 -22.0478 -22.0478 -22.0205 -22.0195 -14.1947 -14.1947 -6.0110 -6.0098 -5.7433 -5.7395 -5.7301 -5.7300 -1.0480 -1.0169 0.6814 0.6818 0.8847 0.9224 6.1516 6.1539 6.6337 6.6347 6.8067 6.8071 7.6650 7.6777 7.7843 7.7876 8.0713 8.0732 9.5912 9.5927 9.6627 9.6647 10.2490 10.2494 14.2708 14.2781 14.3445 14.3457 14.6056 14.6056 16.1773 16.1845 k = 0.5005 0.4992 0.1840 ( 2728 PWs) bands (ev): -45.9335 -45.9335 -22.6857 -22.6849 -22.0477 -22.0477 -22.0218 -22.0208 -14.1923 -14.1923 -5.9925 -5.9911 -5.7368 -5.7328 -5.7247 -5.7244 -1.0722 -1.0399 0.6554 0.6558 0.8438 0.8826 6.1509 6.1531 6.6340 6.6348 6.8640 6.8659 7.6568 7.6694 7.7929 7.7962 8.0190 8.0229 9.6197 9.6213 9.6836 9.6855 10.2515 10.2519 14.2869 14.2938 14.3648 14.3658 14.6144 14.6145 16.2612 16.2684 k = 0.5005 0.4992 0.1964 ( 2726 PWs) bands (ev): -45.9335 -45.9335 -22.6862 -22.6853 -22.0476 -22.0476 -22.0231 -22.0220 -14.1899 -14.1899 -5.9732 -5.9718 -5.7302 -5.7259 -5.7190 -5.7187 -1.0969 -1.0636 0.6286 0.6291 0.8024 0.8420 6.1500 6.1520 6.6342 6.6350 6.9220 6.9257 7.6380 7.6487 7.7976 7.7991 7.9821 7.9882 9.6498 9.6515 9.7061 9.7080 10.2540 10.2545 14.3042 14.3106 14.3859 14.3869 14.6236 14.6238 16.3438 16.3510 k = 0.5005 0.4993 0.2088 ( 2732 PWs) bands (ev): -45.9334 -45.9334 -22.6867 -22.6858 -22.0476 -22.0475 -22.0245 -22.0234 -14.1874 -14.1874 -5.9533 -5.9518 -5.7234 -5.7188 -5.7131 -5.7127 -1.1221 -1.0881 0.6013 0.6019 0.7609 0.8009 6.1487 6.1506 6.6345 6.6352 6.9801 6.9859 7.6045 7.6121 7.7977 7.8004 7.9638 7.9710 9.6813 9.6830 9.7302 9.7321 10.2566 10.2572 14.3225 14.3285 14.4078 14.4087 14.6331 14.6334 16.4241 16.4314 k = 0.5006 0.4993 0.2213 ( 2730 PWs) bands (ev): -45.9334 -45.9334 -22.6872 -22.6863 -22.0475 -22.0474 -22.0259 -22.0247 -14.1849 -14.1849 -5.9329 -5.9314 -5.7164 -5.7116 -5.7070 -5.7065 -1.1475 -1.1130 0.5737 0.5743 0.7195 0.7597 6.1470 6.1488 6.6347 6.6354 7.0379 7.0459 7.5561 7.5607 7.7960 7.8041 7.9606 7.9679 9.7140 9.7159 9.7560 9.7579 10.2593 10.2599 14.3418 14.3474 14.4303 14.4311 14.6428 14.6432 16.5011 16.5087 k = 0.5006 0.4993 0.2337 ( 2728 PWs) bands (ev): -45.9333 -45.9333 -22.6877 -22.6868 -22.0473 -22.0473 -22.0273 -22.0261 -14.1823 -14.1823 -5.9122 -5.9105 -5.7093 -5.7043 -5.7007 -5.7002 -1.1731 -1.1382 0.5459 0.5466 0.6784 0.7186 6.1449 6.1466 6.6350 6.6356 7.0946 7.1052 7.4970 7.4995 7.7967 7.8099 7.9663 7.9731 9.7480 9.7498 9.7832 9.7851 10.2620 10.2627 14.3619 14.3670 14.4533 14.4541 14.6528 14.6532 16.5737 16.5816 k = 0.5006 0.4994 0.2461 ( 2730 PWs) bands (ev): -45.9333 -45.9333 -22.6883 -22.6873 -22.0473 -22.0472 -22.0287 -22.0275 -14.1797 -14.1797 -5.8912 -5.8895 -5.7022 -5.6971 -5.6941 -5.6936 -1.1987 -1.1637 0.5181 0.5189 0.6378 0.6778 6.1423 6.1438 6.6353 6.6359 7.1494 7.1629 7.4322 7.4335 7.8003 7.8180 7.9763 7.9826 9.7828 9.7847 9.8119 9.8138 10.2648 10.2656 14.3826 14.3873 14.4767 14.4775 14.6628 14.6633 16.6409 16.6494 k = 0.5007 0.4994 0.2586 ( 2732 PWs) bands (ev): -45.9333 -45.9333 -22.6888 -22.6878 -22.0472 -22.0471 -22.0300 -22.0289 -14.1771 -14.1771 -5.8701 -5.8683 -5.6952 -5.6902 -5.6873 -5.6870 -1.2241 -1.1892 0.4905 0.4913 0.5980 0.6375 6.1391 6.1405 6.6356 6.6361 7.2006 7.2169 7.3666 7.3671 7.8062 7.8278 7.9882 7.9940 9.8184 9.8202 9.8418 9.8437 10.2675 10.2684 14.4038 14.4081 14.5004 14.5011 14.6730 14.6735 16.7019 16.7111 k = 0.5007 0.4994 0.2710 ( 2728 PWs) bands (ev): -45.9332 -45.9332 -22.6893 -22.6883 -22.0471 -22.0470 -22.0314 -22.0302 -14.1746 -14.1745 -5.8490 -5.8471 -5.6883 -5.6835 -5.6802 -5.6801 -1.2492 -1.2146 0.4632 0.4640 0.5592 0.5980 6.1352 6.1365 6.6359 6.6364 7.2374 7.2524 7.3125 7.3168 7.8141 7.8393 8.0007 8.0062 9.8544 9.8563 9.8727 9.8748 10.2702 10.2713 14.4254 14.4292 14.5242 14.5249 14.6831 14.6838 16.7559 16.7661 k = 0.5007 0.4994 0.2834 ( 2742 PWs) bands (ev): -45.9332 -45.9332 -22.6898 -22.6889 -22.0470 -22.0469 -22.0328 -22.0316 -14.1720 -14.1720 -5.8281 -5.8261 -5.6815 -5.6770 -5.6733 -5.6728 -1.2738 -1.2397 0.4363 0.4373 0.5216 0.5594 6.1305 6.1317 6.6362 6.6367 7.2091 7.2131 7.3213 7.3400 7.8238 7.8522 8.0131 8.0184 9.8906 9.8925 9.9046 9.9068 10.2729 10.2741 14.4470 14.4505 14.5481 14.5487 14.6933 14.6941 16.8024 16.8138 k = 0.5008 0.4995 0.2959 ( 2736 PWs) bands (ev): -45.9332 -45.9332 -22.6903 -22.6894 -22.0470 -22.0469 -22.0340 -22.0329 -14.1695 -14.1695 -5.8075 -5.8053 -5.6749 -5.6707 -5.6664 -5.6655 -1.2978 -1.2644 0.4101 0.4111 0.4853 0.5219 6.1250 6.1261 6.6365 6.6370 7.1486 7.1507 7.3614 7.3849 7.8353 7.8666 8.0251 8.0303 9.9268 9.9285 9.9373 9.9395 10.2756 10.2769 14.4687 14.4719 14.5718 14.5725 14.7035 14.7043 16.8414 16.8542 k = 0.5008 0.4995 0.3083 ( 2732 PWs) bands (ev): -45.9331 -45.9331 -22.6908 -22.6899 -22.0469 -22.0468 -22.0352 -22.0341 -14.1670 -14.1670 -5.7872 -5.7850 -5.6685 -5.6645 -5.6594 -5.6583 -1.3210 -1.2885 0.3847 0.3858 0.4505 0.4858 6.1187 6.1196 6.6368 6.6373 7.0867 7.0884 7.4021 7.4287 7.8488 7.8824 8.0364 8.0415 9.9625 9.9639 9.9706 9.9728 10.2782 10.2797 14.4902 14.4930 14.5953 14.5959 14.7135 14.7144 16.8729 16.8874 k = 0.5008 0.4995 0.3208 ( 2740 PWs) bands (ev): -45.9331 -45.9331 -22.6913 -22.6904 -22.0468 -22.0467 -22.0365 -22.0354 -14.1646 -14.1646 -5.7676 -5.7652 -5.6624 -5.6585 -5.6526 -5.6512 -1.3433 -1.3120 0.3601 0.3614 0.4174 0.4511 6.1113 6.1122 6.6372 6.6376 7.0273 7.0288 7.4398 7.4687 7.8644 7.8995 8.0468 8.0519 9.9973 9.9983 10.0046 10.0065 10.2807 10.2824 14.5114 14.5139 14.6184 14.6190 14.7234 14.7244 16.8977 16.9138 k = 0.5009 0.4996 0.3332 ( 2738 PWs) bands (ev): -45.9331 -45.9331 -22.6917 -22.6909 -22.0468 -22.0466 -22.0376 -22.0366 -14.1623 -14.1623 -5.7487 -5.7461 -5.6564 -5.6526 -5.6459 -5.6444 -1.3646 -1.3346 0.3366 0.3380 0.3860 0.4180 6.1031 6.1038 6.6375 6.6379 6.9714 6.9727 7.4739 7.5042 7.8821 7.9180 8.0565 8.0616 10.0312 10.0314 10.0386 10.0401 10.2832 10.2850 14.5320 14.5342 14.6410 14.6416 14.7332 14.7341 16.9164 16.9343 k = 0.5009 0.4996 0.3456 ( 2744 PWs) bands (ev): -45.9330 -45.9330 -22.6922 -22.6914 -22.0467 -22.0466 -22.0388 -22.0377 -14.1601 -14.1601 -5.7306 -5.7278 -5.6508 -5.6469 -5.6393 -5.6378 -1.3848 -1.3562 0.3143 0.3158 0.3566 0.3866 6.0938 6.0945 6.6378 6.6382 6.9196 6.9208 7.5040 7.5348 7.9019 7.9376 8.0652 8.0704 10.0635 10.0638 10.0721 10.0733 10.2855 10.2876 14.5518 14.5538 14.6629 14.6634 14.7427 14.7437 16.9300 16.9496 k = 0.5009 0.4996 0.3581 ( 2748 PWs) bands (ev): -45.9330 -45.9330 -22.6926 -22.6918 -22.0467 -22.0466 -22.0398 -22.0388 -14.1581 -14.1581 -5.7135 -5.7106 -5.6453 -5.6414 -5.6331 -5.6316 -1.4037 -1.3767 0.2933 0.2949 0.3292 0.3572 6.0837 6.0843 6.6382 6.6385 6.8722 6.8733 7.5303 7.5607 7.9235 7.9578 8.0731 8.0784 10.0944 10.0952 10.1044 10.1055 10.2877 10.2900 14.5708 14.5725 14.6839 14.6845 14.7520 14.7530 16.9394 16.9607 k = 0.5010 0.4997 0.3705 ( 2746 PWs) bands (ev): -45.9330 -45.9330 -22.6929 -22.6922 -22.0467 -22.0465 -22.0407 -22.0398 -14.1561 -14.1561 -5.6977 -5.6945 -5.6401 -5.6360 -5.6271 -5.6257 -1.4212 -1.3961 0.2738 0.2755 0.3040 0.3297 6.0729 6.0733 6.6385 6.6388 6.8296 6.8305 7.5528 7.5819 7.9462 7.9783 8.0801 8.0857 10.1240 10.1252 10.1352 10.1363 10.2898 10.2924 14.5887 14.5902 14.7040 14.7045 14.7610 14.7620 16.9456 16.9685 k = 0.5010 0.4997 0.3829 ( 2750 PWs) bands (ev): -45.9329 -45.9329 -22.6933 -22.6927 -22.0467 -22.0465 -22.0416 -22.0407 -14.1543 -14.1543 -5.6831 -5.6797 -5.6351 -5.6308 -5.6215 -5.6203 -1.4373 -1.4141 0.2557 0.2575 0.2809 0.3042 6.0615 6.0619 6.6387 6.6390 6.7916 6.7925 7.5719 7.5991 7.9695 7.9986 8.0863 8.0922 10.1519 10.1534 10.1641 10.1653 10.2917 10.2947 14.6053 14.6066 14.7229 14.7233 14.7697 14.7706 16.9496 16.9737 k = 0.5010 0.4997 0.3954 ( 2752 PWs) bands (ev): -45.9329 -45.9329 -22.6936 -22.6930 -22.0467 -22.0465 -22.0423 -22.0415 -14.1527 -14.1527 -5.6701 -5.6664 -5.6303 -5.6257 -5.6163 -5.6153 -1.4518 -1.4307 0.2393 0.2412 0.2601 0.2810 6.0499 6.0502 6.6390 6.6393 6.7583 6.7591 7.5880 7.6128 7.9926 8.0180 8.0918 8.0981 10.1778 10.1797 10.1909 10.1922 10.2935 10.2969 14.6205 14.6217 14.7404 14.7408 14.7779 14.7788 16.9521 16.9770 k = 0.5011 0.4998 0.4078 ( 2752 PWs) bands (ev): -45.9329 -45.9329 -22.6939 -22.6934 -22.0467 -22.0466 -22.0429 -22.0422 -14.1512 -14.1512 -5.6588 -5.6549 -5.6255 -5.6206 -5.6116 -5.6107 -1.4647 -1.4458 0.2246 0.2266 0.2417 0.2600 6.0383 6.0385 6.6393 6.6395 6.7297 6.7303 7.6014 7.6235 8.0147 8.0361 8.0966 8.1034 10.2014 10.2037 10.2152 10.2167 10.2952 10.2990 14.6342 14.6352 14.7564 14.7568 14.7857 14.7865 16.9538 16.9789 k = 0.5011 0.4998 0.4202 ( 2757 PWs) bands (ev): -45.9329 -45.9329 -22.6941 -22.6937 -22.0468 -22.0467 -22.0435 -22.0428 -14.1499 -14.1498 -5.6492 -5.6453 -5.6206 -5.6157 -5.6073 -5.6067 -1.4758 -1.4594 0.2117 0.2137 0.2256 0.2414 6.0272 6.0273 6.6395 6.6397 6.7055 6.7060 7.6126 7.6316 8.0352 8.0522 8.1008 8.1082 10.2224 10.2252 10.2369 10.2385 10.2967 10.3011 14.6463 14.6471 14.7707 14.7710 14.7929 14.7936 16.9553 16.9797 k = 0.5011 0.4998 0.4327 ( 2764 PWs) bands (ev): -45.9329 -45.9329 -22.6944 -22.6940 -22.0469 -22.0468 -22.0439 -22.0433 -14.1487 -14.1487 -5.6416 -5.6379 -5.6157 -5.6110 -5.6034 -5.6031 -1.4853 -1.4712 0.2008 0.2027 0.2120 0.2251 6.0169 6.0169 6.6397 6.6398 6.6854 6.6858 7.6217 7.6378 8.0535 8.0660 8.1045 8.1126 10.2406 10.2438 10.2556 10.2574 10.2982 10.3033 14.6567 14.6574 14.7832 14.7834 14.7995 14.8001 16.9571 16.9795 k = 0.5012 0.4999 0.4451 ( 2770 PWs) bands (ev): -45.9329 -45.9329 -22.6946 -22.6943 -22.0470 -22.0470 -22.0442 -22.0438 -14.1478 -14.1478 -5.6356 -5.6326 -5.6108 -5.6068 -5.6000 -5.5999 -1.4928 -1.4813 0.1919 0.1936 0.2007 0.2113 6.0077 6.0077 6.6398 6.6400 6.6693 6.6696 7.6291 7.6421 8.0691 8.0771 8.1080 8.1166 10.2557 10.2593 10.2712 10.2731 10.2999 10.3055 14.6652 14.6658 14.7935 14.7937 14.8053 14.8058 16.9594 16.9780 k = 0.5012 0.4999 0.4575 ( 2786 PWs) bands (ev): -45.9329 -45.9329 -22.6948 -22.6945 -22.0472 -22.0472 -22.0444 -22.0441 -14.1470 -14.1470 -5.6313 -5.6289 -5.6065 -5.6033 -5.5972 -5.5972 -1.4986 -1.4897 0.1851 0.1864 0.1918 0.2000 6.0001 6.0001 6.6399 6.6400 6.6569 6.6571 7.6351 7.6450 8.0813 8.0855 8.1114 8.1199 10.2675 10.2713 10.2833 10.2851 10.3022 10.3078 14.6720 14.6725 14.8016 14.8016 14.8104 14.8107 16.9622 16.9748 k = 0.5012 0.4999 0.4700 ( 2800 PWs) bands (ev): -45.9329 -45.9329 -22.6949 -22.6947 -22.0474 -22.0474 -22.0446 -22.0444 -14.1465 -14.1465 -5.6282 -5.6266 -5.6032 -5.6009 -5.5949 -5.5949 -1.5024 -1.4962 0.1805 0.1813 0.1853 0.1912 5.9943 5.9943 6.6400 6.6401 6.6480 6.6482 7.6397 7.6466 8.0898 8.0914 8.1150 8.1223 10.2759 10.2795 10.2919 10.2930 10.3055 10.3101 14.6770 14.6773 14.8072 14.8072 14.8146 14.8147 16.9646 16.9702 k = 0.5013 0.5000 0.4824 ( 2800 PWs) bands (ev): -45.9328 -45.9328 -22.6949 -22.6948 -22.0475 -22.0475 -22.0446 -22.0445 -14.1461 -14.1461 -5.6263 -5.6254 -5.6009 -5.5996 -5.5933 -5.5933 -1.5043 -1.5008 0.1779 0.1781 0.1814 0.1850 5.9905 5.9905 6.6400 6.6401 6.6426 6.6427 7.6431 7.6470 8.0947 8.0950 8.1185 8.1232 10.2814 10.2838 10.2971 10.2974 10.3092 10.3118 14.6802 14.6803 14.8105 14.8106 14.8175 14.8175 16.9651 16.9664 k = 0.5013 0.5000 0.4949 ( 2800 PWs) bands (ev): -45.9328 -45.9328 -22.6949 -22.6949 -22.0475 -22.0475 -22.0446 -22.0446 -14.1460 -14.1460 -5.6253 -5.6251 -5.5997 -5.5994 -5.5925 -5.5925 -1.5043 -1.5035 0.1769 0.1769 0.1806 0.1815 5.9890 5.9890 6.6397 6.6397 6.6407 6.6407 7.6454 7.6463 8.0965 8.0965 8.1212 8.1224 10.2841 10.2847 10.2991 10.2992 10.3116 10.3122 14.6815 14.6816 14.8119 14.8119 14.8187 14.8188 16.9642 16.9642 k = 0.5013 0.5000 0.4949 ( 2800 PWs) bands (ev): -45.9328 -45.9328 -22.6949 -22.6949 -22.0475 -22.0475 -22.0446 -22.0446 -14.1460 -14.1460 -5.6253 -5.6251 -5.5997 -5.5994 -5.5925 -5.5925 -1.5043 -1.5035 0.1769 0.1769 0.1806 0.1815 5.9890 5.9890 6.6397 6.6397 6.6407 6.6407 7.6454 7.6463 8.0965 8.0965 8.1212 8.1224 10.2841 10.2847 10.2991 10.2992 10.3116 10.3122 14.6815 14.6816 14.8119 14.8119 14.8187 14.8188 16.9642 16.9642 k = 0.5000 0.4987 0.4974 ( 2800 PWs) bands (ev): -45.9328 -45.9328 -22.6949 -22.6949 -22.0475 -22.0475 -22.0446 -22.0446 -14.1460 -14.1460 -5.6252 -5.6252 -5.5995 -5.5995 -5.5925 -5.5925 -1.5040 -1.5040 0.1768 0.1768 0.1809 0.1809 5.9889 5.9889 6.6397 6.6397 6.6406 6.6406 7.6459 7.6459 8.0966 8.0966 8.1218 8.1218 10.2845 10.2845 10.2992 10.2992 10.3120 10.3120 14.6816 14.6816 14.8119 14.8119 14.8188 14.8188 16.9641 16.9642 k = 0.5000-0.0013-0.0013 ( 2758 PWs) bands (ev): -45.9348 -45.9348 -22.6675 -22.6675 -22.0321 -22.0321 -21.9947 -21.9947 -14.2883 -14.2883 -6.7340 -6.7340 -5.7989 -5.7989 -5.5414 -5.5414 -0.7347 -0.7347 1.1595 1.1595 1.3160 1.3160 6.4242 6.4242 7.6363 7.6363 7.6510 7.6510 8.1996 8.1996 8.2496 8.2496 8.6280 8.6280 8.7178 8.7178 9.3867 9.3867 9.5070 9.5070 12.8539 12.8539 14.1192 14.1192 14.2072 14.2072 14.7874 14.7874 k = 0.5000 0.0076 0.0076 ( 2754 PWs) bands (ev): -45.9348 -45.9348 -22.6676 -22.6675 -22.0322 -22.0321 -21.9947 -21.9947 -14.2881 -14.2881 -6.7332 -6.7332 -5.7988 -5.7988 -5.5418 -5.5417 -0.7350 -0.7348 1.1594 1.1594 1.3151 1.3157 6.4236 6.4242 7.6360 7.6367 7.6502 7.6509 8.1914 8.1944 8.2432 8.2432 8.6333 8.6339 8.7255 8.7258 9.3836 9.3843 9.5055 9.5056 12.8561 12.8561 14.1190 14.1194 14.2065 14.2075 14.7904 14.7912 k = 0.5001 0.0165 0.0165 ( 2750 PWs) bands (ev): -45.9348 -45.9348 -22.6676 -22.6675 -22.0322 -22.0321 -21.9948 -21.9948 -14.2878 -14.2878 -6.7309 -6.7309 -5.7983 -5.7983 -5.5429 -5.5428 -0.7356 -0.7352 1.1590 1.1591 1.3130 1.3141 6.4225 6.4236 7.6356 7.6374 7.6488 7.6500 8.1683 8.1747 8.2273 8.2280 8.6489 8.6498 8.7476 8.7482 9.3748 9.3762 9.5009 9.5011 12.8626 12.8627 14.1188 14.1196 14.2055 14.2075 14.8000 14.8016 k = 0.5001 0.0254 0.0254 ( 2750 PWs) bands (ev): -45.9348 -45.9348 -22.6678 -22.6676 -22.0323 -22.0321 -21.9950 -21.9950 -14.2872 -14.2872 -6.7272 -6.7271 -5.7976 -5.7976 -5.5447 -5.5445 -0.7366 -0.7360 1.1583 1.1584 1.3097 1.3113 6.4208 6.4225 7.6345 7.6380 7.6471 7.6483 8.1309 8.1403 8.2080 8.2094 8.6725 8.6734 8.7807 8.7815 9.3606 9.3626 9.4934 9.4937 12.8735 12.8736 14.1187 14.1199 14.2043 14.2072 14.8162 14.8186 k = 0.5002 0.0343 0.0342 ( 2752 PWs) bands (ev): -45.9348 -45.9348 -22.6679 -22.6677 -22.0324 -22.0322 -21.9953 -21.9953 -14.2864 -14.2864 -6.7219 -6.7219 -5.7966 -5.7966 -5.5472 -5.5470 -0.7380 -0.7372 1.1572 1.1574 1.3052 1.3074 6.4185 6.4208 7.6314 7.6375 7.6463 7.6467 8.0828 8.0946 8.1878 8.1893 8.7022 8.7028 8.8212 8.8219 9.3409 9.3435 9.4832 9.4836 12.8886 12.8888 14.1186 14.1202 14.2029 14.2066 14.8388 14.8419 k = 0.5002 0.0432 0.0431 ( 2754 PWs) bands (ev): -45.9348 -45.9348 -22.6682 -22.6679 -22.0325 -22.0323 -21.9956 -21.9956 -14.2854 -14.2854 -6.7151 -6.7151 -5.7954 -5.7954 -5.5504 -5.5501 -0.7399 -0.7389 1.1555 1.1559 1.2998 1.3026 6.4158 6.4187 7.6256 7.6343 7.6465 7.6466 8.0282 8.0421 8.1670 8.1684 8.7365 8.7369 8.8660 8.8665 9.3160 9.3193 9.4706 9.4709 12.9078 12.9080 14.1187 14.1207 14.2016 14.2060 14.8676 14.8712 k = 0.5003 0.0521 0.0520 ( 2755 PWs) bands (ev): -45.9348 -45.9348 -22.6684 -22.6681 -22.0327 -22.0324 -21.9961 -21.9961 -14.2841 -14.2841 -6.7069 -6.7068 -5.7938 -5.7938 -5.5542 -5.5538 -0.7422 -0.7412 1.1530 1.1536 1.2936 1.2968 6.4127 6.4160 7.6170 7.6280 7.6476 7.6477 7.9701 7.9864 8.1458 8.1471 8.7744 8.7745 8.9130 8.9132 9.2862 9.2901 9.4558 9.4562 12.9308 12.9311 14.1191 14.1213 14.2004 14.2053 14.9022 14.9064 k = 0.5003 0.0610 0.0609 ( 2749 PWs) bands (ev): -45.9348 -45.9348 -22.6687 -22.6683 -22.0329 -22.0325 -21.9966 -21.9966 -14.2827 -14.2826 -6.6972 -6.6971 -5.7920 -5.7920 -5.5585 -5.5581 -0.7450 -0.7440 1.1496 1.1504 1.2867 1.2904 6.4091 6.4130 7.6053 7.6188 7.6490 7.6492 7.9111 7.9298 8.1247 8.1258 8.8150 8.8151 8.9604 8.9608 9.2516 9.2563 9.4392 9.4396 12.9576 12.9580 14.1197 14.1223 14.1994 14.2048 14.9425 14.9470 k = 0.5004 0.0700 0.0698 ( 2751 PWs) bands (ev): -45.9347 -45.9347 -22.6690 -22.6686 -22.0331 -22.0326 -21.9972 -21.9972 -14.2810 -14.2810 -6.6860 -6.6859 -5.7899 -5.7899 -5.5634 -5.5629 -0.7483 -0.7474 1.1449 1.1459 1.2794 1.2835 6.4052 6.4095 7.5896 7.6059 7.6503 7.6507 7.8533 7.8747 8.1041 8.1050 8.8577 8.8580 9.0071 9.0084 9.2128 9.2185 9.4213 9.4216 12.9879 12.9884 14.1208 14.1236 14.1988 14.2046 14.9881 14.9928 k = 0.5004 0.0789 0.0787 ( 2751 PWs) bands (ev): -45.9347 -45.9347 -22.6694 -22.6689 -22.0333 -22.0328 -21.9978 -21.9978 -14.2791 -14.2791 -6.6735 -6.6733 -5.7875 -5.7875 -5.5687 -5.5682 -0.7523 -0.7515 1.1388 1.1400 1.2719 1.2763 6.4011 6.4058 7.5689 7.5878 7.6511 7.6519 7.7993 7.8232 8.0844 8.0850 8.9021 8.9027 9.0520 9.0551 9.1703 9.1777 9.4025 9.4026 13.0215 13.0220 14.1224 14.1254 14.1987 14.2048 15.0385 15.0435 k = 0.5005 0.0878 0.0875 ( 2752 PWs) bands (ev): -45.9347 -45.9347 -22.6698 -22.6693 -22.0335 -22.0330 -21.9986 -21.9986 -14.2770 -14.2770 -6.6595 -6.6594 -5.7849 -5.7849 -5.5745 -5.5739 -0.7570 -0.7564 1.1308 1.1321 1.2646 1.2689 6.3967 6.4018 7.5418 7.5624 7.6513 7.6524 7.7520 7.7775 8.0657 8.0662 8.9477 8.9486 9.0875 9.0964 9.1284 9.1416 9.3833 9.3833 13.0581 13.0586 14.1246 14.1278 14.1992 14.2055 15.0936 15.0987 k = 0.5005 0.0967 0.0964 ( 2749 PWs) bands (ev): -45.9346 -45.9346 -22.6702 -22.6697 -22.0338 -22.0332 -21.9994 -21.9994 -14.2747 -14.2747 -6.6442 -6.6440 -5.7821 -5.7820 -5.5806 -5.5799 -0.7625 -0.7621 1.1209 1.1223 1.2574 1.2616 6.3922 6.3976 7.5075 7.5279 7.6505 7.6519 7.7139 7.7390 8.0483 8.0485 8.9934 8.9951 9.0697 9.0699 9.1500 9.1551 9.3642 9.3645 13.0974 13.0980 14.1274 14.1309 14.2003 14.2067 15.1529 15.1581 k = 0.5006 0.1056 0.1053 ( 2746 PWs) bands (ev): -45.9346 -45.9346 -22.6706 -22.6701 -22.0340 -22.0334 -22.0002 -22.0002 -14.2722 -14.2722 -6.6276 -6.6274 -5.7789 -5.7789 -5.5869 -5.5863 -0.7687 -0.7686 1.1089 1.1101 1.2506 1.2543 6.3876 6.3933 7.4668 7.4850 7.6483 7.6500 7.6851 7.7078 8.0322 8.0322 9.0137 9.0157 9.0444 9.0473 9.1926 9.1942 9.3462 9.3468 13.1393 13.1400 14.1310 14.1346 14.2022 14.2087 15.2162 15.2214 k = 0.5006 0.1145 0.1142 ( 2744 PWs) bands (ev): -45.9346 -45.9346 -22.6711 -22.6705 -22.0343 -22.0336 -22.0012 -22.0011 -14.2696 -14.2696 -6.6096 -6.6094 -5.7756 -5.7756 -5.5935 -5.5928 -0.7762 -0.7758 1.0948 1.0958 1.2439 1.2469 6.3831 6.3889 7.4213 7.4364 7.6442 7.6462 7.6635 7.6828 8.0172 8.0175 8.9614 8.9630 9.0901 9.0902 9.2343 9.2345 9.3301 9.3314 13.1834 13.1841 14.1355 14.1392 14.2049 14.2115 15.2830 15.2882 k = 0.5006 0.1234 0.1231 ( 2744 PWs) bands (ev): -45.9345 -45.9345 -22.6717 -22.6710 -22.0346 -22.0338 -22.0022 -22.0021 -14.2668 -14.2668 -6.5904 -6.5902 -5.7720 -5.7720 -5.6002 -5.5995 -0.7847 -0.7838 1.0786 1.0792 1.2373 1.2393 6.3786 6.3845 7.3733 7.3853 7.6373 7.6381 7.6485 7.6629 8.0036 8.0041 8.9038 8.9062 9.1350 9.1355 9.2718 9.2744 9.3182 9.3213 13.2294 13.2302 14.1408 14.1446 14.2085 14.2150 15.3531 15.3583 k = 0.5007 0.1323 0.1320 ( 2748 PWs) bands (ev): -45.9345 -45.9345 -22.6722 -22.6715 -22.0349 -22.0341 -22.0032 -22.0032 -14.2638 -14.2638 -6.5700 -6.5697 -5.7683 -5.7683 -5.6070 -5.6063 -0.7942 -0.7927 1.0605 1.0606 1.2304 1.2313 6.3742 6.3801 7.3249 7.3339 7.6249 7.6265 7.6391 7.6475 7.9912 7.9920 8.8444 8.8471 9.1760 9.1770 9.2975 9.3028 9.3225 9.3281 13.2772 13.2781 14.1471 14.1510 14.2130 14.2195 15.4261 15.4312 k = 0.5007 0.1412 0.1408 ( 2744 PWs) bands (ev): -45.9344 -45.9344 -22.6728 -22.6721 -22.0352 -22.0344 -22.0043 -22.0043 -14.2607 -14.2607 -6.5485 -6.5481 -5.7643 -5.7643 -5.6138 -5.6131 -0.8047 -0.8026 1.0402 1.0406 1.2225 1.2229 6.3700 6.3758 7.2775 7.2839 7.6104 7.6121 7.6298 7.6349 7.9800 7.9810 8.7837 8.7866 9.2076 9.2090 9.3102 9.3123 9.3564 9.3588 13.3265 13.3274 14.1543 14.1583 14.2185 14.2250 15.5017 15.5067 k = 0.5008 0.1501 0.1497 ( 2746 PWs) bands (ev): -45.9344 -45.9344 -22.6734 -22.6727 -22.0356 -22.0347 -22.0055 -22.0055 -14.2574 -14.2574 -6.5258 -6.5254 -5.7601 -5.7601 -5.6205 -5.6198 -0.8164 -0.8136 1.0182 1.0190 1.2128 1.2146 6.3660 6.3715 7.2323 7.2363 7.5957 7.5958 7.6187 7.6226 7.9697 7.9709 8.7224 8.7252 9.2241 9.2256 9.3350 9.3360 9.3930 9.3941 13.3770 13.3780 14.1625 14.1666 14.2251 14.2315 15.5795 15.5845 k = 0.5008 0.1590 0.1586 ( 2746 PWs) bands (ev): -45.9344 -45.9344 -22.6741 -22.6733 -22.0359 -22.0350 -22.0067 -22.0067 -14.2540 -14.2540 -6.5020 -6.5016 -5.7558 -5.7557 -5.6271 -5.6263 -0.8291 -0.8255 0.9947 0.9961 1.2018 1.2052 6.3622 6.3674 7.1901 7.1919 7.5783 7.5806 7.6055 7.6089 7.9602 7.9616 8.6609 8.6636 9.2301 9.2314 9.3722 9.3730 9.4288 9.4292 13.4284 13.4295 14.1718 14.1759 14.2327 14.2391 15.6592 15.6642 k = 0.5009 0.1679 0.1675 ( 2748 PWs) bands (ev): -45.9343 -45.9343 -22.6747 -22.6739 -22.0363 -22.0354 -22.0080 -22.0079 -14.2505 -14.2505 -6.4773 -6.4768 -5.7513 -5.7512 -5.6335 -5.6327 -0.8429 -0.8384 0.9699 0.9718 1.1893 1.1943 6.3586 6.3634 7.1512 7.1516 7.5599 7.5648 7.5900 7.5934 7.9514 7.9528 8.5998 8.6022 9.2332 9.2342 9.4148 9.4158 9.4638 9.4638 13.4807 13.4817 14.1821 14.1862 14.2415 14.2478 15.7406 15.7454 k = 0.5009 0.1768 0.1764 ( 2746 PWs) bands (ev): -45.9343 -45.9343 -22.6754 -22.6746 -22.0366 -22.0357 -22.0092 -22.0092 -14.2469 -14.2469 -6.4516 -6.4510 -5.7466 -5.7465 -5.6396 -5.6388 -0.8577 -0.8524 0.9440 0.9464 1.1751 1.1818 6.3553 6.3595 7.1146 7.1173 7.5403 7.5481 7.5720 7.5757 7.9430 7.9446 8.5397 8.5418 9.2373 9.2382 9.4590 9.4602 9.4980 9.4982 13.5334 13.5346 14.1935 14.1976 14.2514 14.2576 15.8233 15.8280 k = 0.5010 0.1857 0.1852 ( 2746 PWs) bands (ev): -45.9342 -45.9342 -22.6761 -22.6752 -22.0370 -22.0360 -22.0105 -22.0105 -14.2432 -14.2432 -6.4250 -6.4243 -5.7418 -5.7417 -5.6454 -5.6445 -0.8736 -0.8674 0.9171 0.9200 1.1590 1.1675 6.3521 6.3556 7.0826 7.0876 7.5195 7.5302 7.5517 7.5556 7.9350 7.9367 8.4811 8.4829 9.2441 9.2448 9.5026 9.5041 9.5323 9.5326 13.5865 13.5877 14.2058 14.2099 14.2625 14.2685 15.9069 15.9116 k = 0.5010 0.1946 0.1941 ( 2742 PWs) bands (ev): -45.9342 -45.9342 -22.6768 -22.6759 -22.0374 -22.0364 -22.0119 -22.0118 -14.2394 -14.2394 -6.3975 -6.3968 -5.7369 -5.7368 -5.6508 -5.6499 -0.8905 -0.8833 0.8893 0.8927 1.1408 1.1511 6.3491 6.3518 7.0554 7.0628 7.4971 7.5110 7.5290 7.5333 7.9272 7.9290 8.4247 8.4261 9.2542 9.2548 9.5433 9.5452 9.5685 9.5686 13.6397 13.6409 14.2192 14.2232 14.2747 14.2805 15.9912 15.9958 k = 0.5011 0.2035 0.2030 ( 2744 PWs) bands (ev): -45.9341 -45.9341 -22.6775 -22.6766 -22.0378 -22.0368 -22.0133 -22.0132 -14.2356 -14.2356 -6.3694 -6.3686 -5.7318 -5.7317 -5.6557 -5.6548 -0.9084 -0.9003 0.8609 0.8647 1.1205 1.1326 6.3461 6.3480 7.0330 7.0430 7.4730 7.4900 7.5041 7.5086 7.9195 7.9215 8.3711 8.3722 9.2680 9.2684 9.5793 9.5814 9.6078 9.6080 13.6928 13.6941 14.2335 14.2375 14.2880 14.2937 16.0758 16.0803 k = 0.5011 0.2124 0.2119 ( 2744 PWs) bands (ev): -45.9340 -45.9340 -22.6783 -22.6774 -22.0381 -22.0371 -22.0146 -22.0146 -14.2317 -14.2317 -6.3405 -6.3396 -5.7267 -5.7266 -5.6602 -5.6593 -0.9273 -0.9181 0.8319 0.8361 1.0980 1.1119 6.3431 6.3441 7.0157 7.0285 7.4471 7.4671 7.4772 7.4816 7.9120 7.9140 8.3210 8.3217 9.2854 9.2857 9.6115 9.6137 9.6493 9.6496 13.7457 13.7470 14.2488 14.2528 14.3025 14.3080 16.1605 16.1648 k = 0.5011 0.2213 0.2208 ( 2738 PWs) bands (ev): -45.9340 -45.9340 -22.6790 -22.6781 -22.0385 -22.0375 -22.0160 -22.0160 -14.2278 -14.2277 -6.3110 -6.3101 -5.7216 -5.7214 -5.6641 -5.6631 -0.9470 -0.9368 0.8024 0.8070 1.0732 1.0888 6.3399 6.3402 7.0032 7.0191 7.4192 7.4415 7.4490 7.4525 7.9044 7.9065 8.2749 8.2753 9.3065 9.3067 9.6416 9.6439 9.6910 9.6915 13.7982 13.7995 14.2650 14.2689 14.3180 14.3234 16.2447 16.2490 k = 0.5012 0.2303 0.2297 ( 2739 PWs) bands (ev): -45.9339 -45.9339 -22.6798 -22.6788 -22.0389 -22.0379 -22.0174 -22.0174 -14.2238 -14.2238 -6.2810 -6.2800 -5.7164 -5.7162 -5.6675 -5.6665 -0.9676 -0.9563 0.7726 0.7776 1.0462 1.0636 6.3360 6.3365 6.9955 7.0148 7.3895 7.4125 7.4207 7.4214 7.8969 7.8990 8.2333 8.2335 9.3310 9.3311 9.6704 9.6728 9.7322 9.7328 13.8501 13.8515 14.2821 14.2859 14.3346 14.3398 16.3283 16.3324 k = 0.5012 0.2392 0.2385 ( 2739 PWs) bands (ev): -45.9339 -45.9339 -22.6805 -22.6796 -22.0393 -22.0383 -22.0189 -22.0188 -14.2198 -14.2198 -6.2505 -6.2494 -5.7113 -5.7109 -5.6702 -5.6691 -0.9889 -0.9766 0.7425 0.7478 1.0170 1.0361 6.3315 6.3328 6.9921 7.0151 7.3580 7.3803 7.3886 7.3924 7.8893 7.8915 8.1967 8.1967 9.3587 9.3587 9.6984 9.7009 9.7723 9.7731 13.9012 13.9027 14.2999 14.3037 14.3521 14.3571 16.4108 16.4148 k = 0.5013 0.2481 0.2474 ( 2735 PWs) bands (ev): -45.9338 -45.9338 -22.6813 -22.6803 -22.0397 -22.0386 -22.0203 -22.0202 -14.2158 -14.2158 -6.2197 -6.2185 -5.7062 -5.7058 -5.6722 -5.6711 -1.0109 -0.9976 0.7124 0.7179 0.9858 1.0064 6.3268 6.3287 6.9923 7.0197 7.3251 7.3461 7.3544 7.3638 7.8818 7.8838 8.1650 8.1651 9.3893 9.3894 9.7258 9.7283 9.8112 9.8120 13.9516 13.9530 14.3186 14.3222 14.3706 14.3754 16.4918 16.4957 k = 0.5013 0.2570 0.2563 ( 2738 PWs) bands (ev): -45.9338 -45.9338 -22.6820 -22.6811 -22.0401 -22.0390 -22.0217 -22.0216 -14.2118 -14.2118 -6.1886 -6.1873 -5.7012 -5.7007 -5.6736 -5.6723 -1.0335 -1.0193 0.6822 0.6880 0.9527 0.9748 6.3216 6.3240 6.9951 7.0273 7.2914 7.3105 7.3196 7.3354 7.8745 7.8762 8.1385 8.1386 9.4227 9.4229 9.7526 9.7552 9.8487 9.8496 14.0009 14.0024 14.3379 14.3415 14.3899 14.3945 16.5709 16.5747 k = 0.5014 0.2659 0.2652 ( 2738 PWs) bands (ev): -45.9337 -45.9337 -22.6828 -22.6819 -22.0405 -22.0395 -22.0231 -22.0230 -14.2079 -14.2078 -6.1572 -6.1559 -5.6965 -5.6958 -5.6741 -5.6727 -1.0566 -1.0415 0.6521 0.6581 0.9177 0.9412 6.3160 6.3187 6.9988 7.0364 7.2580 7.2740 7.2852 7.3089 7.8676 7.8687 8.1168 8.1169 9.4584 9.4587 9.7789 9.7816 9.8847 9.8856 14.0491 14.0506 14.3579 14.3613 14.4099 14.4143 16.6477 16.6513 k = 0.5014 0.2748 0.2741 ( 2739 PWs) bands (ev): -45.9337 -45.9337 -22.6836 -22.6826 -22.0409 -22.0399 -22.0245 -22.0244 -14.2039 -14.2039 -6.1258 -6.1244 -5.6922 -5.6913 -5.6736 -5.6721 -1.0802 -1.0642 0.6221 0.6284 0.8813 0.9060 6.3098 6.3128 7.0013 7.0437 7.2255 7.2370 7.2538 7.2863 7.8613 7.8617 8.0995 8.0998 9.4963 9.4966 9.8050 9.8077 9.9191 9.9202 14.0961 14.0976 14.3784 14.3817 14.4306 14.4347 16.7215 16.7250 k = 0.5015 0.2837 0.2830 ( 2742 PWs) bands (ev): -45.9336 -45.9336 -22.6843 -22.6834 -22.0413 -22.0403 -22.0259 -22.0258 -14.2001 -14.2000 -6.0944 -6.0930 -5.6883 -5.6873 -5.6721 -5.6705 -1.1042 -1.0873 0.5925 0.5989 0.8434 0.8693 6.3030 6.3060 6.9996 7.0440 7.1932 7.1997 7.2320 7.2707 7.8553 7.8560 8.0862 8.0866 9.5359 9.5364 9.8307 9.8334 9.9520 9.9531 14.1418 14.1432 14.3995 14.4027 14.4518 14.4557 16.7918 16.7952 k = 0.5015 0.2926 0.2918 ( 2744 PWs) bands (ev): -45.9335 -45.9335 -22.6851 -22.6842 -22.0416 -22.0407 -22.0273 -22.0272 -14.1962 -14.1962 -6.0632 -6.0616 -5.6850 -5.6839 -5.6694 -5.6678 -1.1284 -1.1108 0.5633 0.5698 0.8045 0.8314 6.2954 6.2984 6.9911 7.0326 7.1589 7.1623 7.2270 7.2647 7.8498 7.8520 8.0763 8.0768 9.5770 9.5776 9.8562 9.8589 9.9833 9.9844 14.1860 14.1874 14.4210 14.4241 14.4734 14.4771 16.8580 16.8612 k = 0.5016 0.3015 0.3007 ( 2748 PWs) bands (ev): -45.9335 -45.9335 -22.6858 -22.6849 -22.0420 -22.0411 -22.0287 -22.0286 -14.1925 -14.1925 -6.0321 -6.0305 -5.6819 -5.6809 -5.6658 -5.6643 -1.1527 -1.1345 0.5345 0.5411 0.7648 0.7925 6.2869 6.2898 6.9747 7.0094 7.1232 7.1252 7.2385 7.2694 7.8454 7.8494 8.0693 8.0698 9.6194 9.6200 9.8815 9.8842 10.0129 10.0141 14.2286 14.2300 14.4430 14.4458 14.4953 14.4988 16.9194 16.9224 k = 0.5016 0.3104 0.3096 ( 2744 PWs) bands (ev): -45.9334 -45.9334 -22.6865 -22.6856 -22.0423 -22.0414 -22.0300 -22.0299 -14.1888 -14.1888 -6.0013 -5.9996 -5.6790 -5.6781 -5.6615 -5.6601 -1.1772 -1.1583 0.5063 0.5130 0.7245 0.7528 6.2774 6.2801 6.9518 6.9790 7.0871 7.0884 7.2612 7.2838 7.8425 7.8485 8.0646 8.0652 9.6626 9.6633 9.9067 9.9094 10.0409 10.0423 14.2696 14.2709 14.4652 14.4679 14.5174 14.5207 16.9751 16.9779 k = 0.5017 0.3193 0.3185 ( 2744 PWs) bands (ev): -45.9334 -45.9334 -22.6872 -22.6863 -22.0427 -22.0418 -22.0313 -22.0312 -14.1852 -14.1852 -5.9709 -5.9692 -5.6760 -5.6751 -5.6570 -5.6557 -1.2016 -1.1822 0.4788 0.4855 0.6839 0.7127 6.2667 6.2692 6.9246 6.9453 7.0513 7.0522 7.2906 7.3053 7.8412 7.8494 8.0619 8.0625 9.7064 9.7072 9.9317 9.9344 10.0674 10.0688 14.3088 14.3100 14.4878 14.4903 14.5395 14.5426 17.0244 17.0270 k = 0.5017 0.3282 0.3274 ( 2742 PWs) bands (ev): -45.9333 -45.9333 -22.6879 -22.6870 -22.0430 -22.0422 -22.0325 -22.0324 -14.1817 -14.1817 -5.9410 -5.9393 -5.6728 -5.6720 -5.6523 -5.6511 -1.2258 -1.2061 0.4521 0.4587 0.6433 0.6724 6.2549 6.2571 6.8952 6.9110 7.0160 7.0167 7.3237 7.3317 7.8418 7.8524 8.0608 8.0613 9.7505 9.7514 9.9567 9.9593 10.0922 10.0937 14.3462 14.3473 14.5106 14.5129 14.5615 14.5644 17.0664 17.0688 k = 0.5017 0.3371 0.3363 ( 2746 PWs) bands (ev): -45.9333 -45.9333 -22.6885 -22.6877 -22.0434 -22.0426 -22.0338 -22.0336 -14.1784 -14.1784 -5.9118 -5.9101 -5.6694 -5.6685 -5.6476 -5.6465 -1.2498 -1.2298 0.4262 0.4328 0.6029 0.6322 6.2417 6.2436 6.8655 6.8775 6.9815 6.9821 7.3588 7.3609 7.8444 7.8575 8.0609 8.0614 9.7946 9.7957 9.9815 9.9840 10.1155 10.1170 14.3817 14.3826 14.5335 14.5356 14.5833 14.5860 17.1005 17.1027 k = 0.5018 0.3460 0.3451 ( 2744 PWs) bands (ev): -45.9332 -45.9332 -22.6892 -22.6884 -22.0436 -22.0429 -22.0349 -22.0348 -14.1751 -14.1751 -5.8833 -5.8817 -5.6657 -5.6648 -5.6430 -5.6419 -1.2734 -1.2533 0.4012 0.4077 0.5632 0.5924 6.2272 6.2287 6.8366 6.8457 6.9480 6.9485 7.3915 7.3945 7.8492 7.8650 8.0620 8.0625 9.8384 9.8396 10.0062 10.0086 10.1372 10.1389 14.4151 14.4159 14.5565 14.5584 14.6048 14.6073 17.1261 17.1282 k = 0.5018 0.3549 0.3540 ( 2744 PWs) bands (ev): -45.9332 -45.9332 -22.6898 -22.6890 -22.0439 -22.0432 -22.0360 -22.0358 -14.1720 -14.1720 -5.8557 -5.8541 -5.6618 -5.6608 -5.6384 -5.6373 -1.2965 -1.2764 0.3772 0.3835 0.5243 0.5532 6.2113 6.2126 6.8093 6.8162 6.9157 6.9162 7.4222 7.4296 7.8565 7.8748 8.0639 8.0644 9.8817 9.8830 10.0308 10.0331 10.1574 10.1592 14.4465 14.4471 14.5796 14.5813 14.6258 14.6281 17.1432 17.1452 k = 0.5019 0.3638 0.3629 ( 2743 PWs) bands (ev): -45.9332 -45.9332 -22.6903 -22.6896 -22.0442 -22.0436 -22.0371 -22.0369 -14.1691 -14.1691 -5.8290 -5.8275 -5.6577 -5.6566 -5.6339 -5.6329 -1.3190 -1.2990 0.3543 0.3604 0.4864 0.5148 6.1943 6.1953 6.7840 6.7893 6.8847 6.8851 7.4520 7.4631 7.8664 7.8871 8.0664 8.0670 9.9241 9.9256 10.0552 10.0573 10.1762 10.1780 14.4757 14.4761 14.6025 14.6039 14.6462 14.6483 17.1520 17.1540 k = 0.5019 0.3727 0.3718 ( 2743 PWs) bands (ev): -45.9331 -45.9331 -22.6909 -22.6902 -22.0445 -22.0439 -22.0381 -22.0378 -14.1662 -14.1662 -5.8035 -5.8021 -5.6535 -5.6523 -5.6296 -5.6286 -1.3407 -1.3211 0.3326 0.3385 0.4499 0.4776 6.1763 6.1771 6.7611 6.7651 6.8552 6.8555 7.4801 7.4944 7.8792 7.9017 8.0694 8.0700 9.9654 9.9670 10.0792 10.0813 10.1935 10.1955 14.5029 14.5031 14.6252 14.6264 14.6659 14.6678 17.1532 17.1553 k = 0.5020 0.3816 0.3807 ( 2744 PWs) bands (ev): -45.9331 -45.9331 -22.6914 -22.6907 -22.0448 -22.0443 -22.0390 -22.0388 -14.1636 -14.1636 -5.7791 -5.7778 -5.6492 -5.6478 -5.6254 -5.6244 -1.3616 -1.3424 0.3120 0.3176 0.4149 0.4418 6.1575 6.1581 6.7407 6.7437 6.8272 6.8275 7.5061 7.5226 7.8948 7.9186 8.0727 8.0734 10.0052 10.0071 10.1029 10.1048 10.2095 10.2115 14.5279 14.5279 14.6474 14.6484 14.6847 14.6865 17.1478 17.1501 k = 0.5020 0.3906 0.3895 ( 2746 PWs) bands (ev): -45.9330 -45.9330 -22.6919 -22.6913 -22.0451 -22.0446 -22.0399 -22.0396 -14.1611 -14.1611 -5.7560 -5.7550 -5.6448 -5.6432 -5.6215 -5.6204 -1.3815 -1.3629 0.2928 0.2981 0.3818 0.4075 6.1383 6.1387 6.7228 6.7249 6.8008 6.8011 7.5294 7.5475 7.9129 7.9373 8.0762 8.0770 10.0434 10.0454 10.1261 10.1279 10.2241 10.2263 14.5507 14.5508 14.6690 14.6697 14.7027 14.7042 17.1370 17.1397 k = 0.5021 0.3995 0.3984 ( 2746 PWs) bands (ev): -45.9330 -45.9330 -22.6923 -22.6918 -22.0453 -22.0449 -22.0407 -22.0404 -14.1588 -14.1588 -5.7344 -5.7336 -5.6404 -5.6386 -5.6177 -5.6167 -1.4003 -1.3825 0.2748 0.2798 0.3506 0.3751 6.1190 6.1193 6.7071 6.7087 6.7763 6.7765 7.5501 7.5688 7.9332 7.9574 8.0799 8.0808 10.0796 10.0819 10.1486 10.1503 10.2373 10.2397 14.5715 14.5718 14.6897 14.6903 14.7196 14.7210 17.1222 17.1253 k = 0.5021 0.4084 0.4073 ( 2744 PWs) bands (ev): -45.9330 -45.9330 -22.6927 -22.6922 -22.0455 -22.0452 -22.0414 -22.0411 -14.1566 -14.1566 -5.7143 -5.7138 -5.6362 -5.6341 -5.6141 -5.6131 -1.4179 -1.4010 0.2582 0.2629 0.3216 0.3446 6.0999 6.1001 6.6936 6.6948 6.7536 6.7538 7.5681 7.5868 7.9551 7.9784 8.0835 8.0846 10.1136 10.1162 10.1703 10.1719 10.2494 10.2519 14.5904 14.5908 14.7094 14.7098 14.7354 14.7366 17.1045 17.1083 k = 0.5022 0.4173 0.4162 ( 2742 PWs) bands (ev): -45.9329 -45.9329 -22.6931 -22.6926 -22.0458 -22.0455 -22.0420 -22.0417 -14.1547 -14.1547 -5.6958 -5.6958 -5.6319 -5.6296 -5.6107 -5.6097 -1.4341 -1.4183 0.2431 0.2473 0.2950 0.3164 6.0815 6.0816 6.6821 6.6830 6.7327 6.7329 7.5836 7.6016 7.9778 7.9994 8.0871 8.0885 10.1451 10.1481 10.1909 10.1925 10.2602 10.2629 14.6075 14.6079 14.7278 14.7281 14.7500 14.7510 17.0851 17.0896 k = 0.5022 0.4262 0.4251 ( 2748 PWs) bands (ev): -45.9329 -45.9329 -22.6935 -22.6930 -22.0460 -22.0459 -22.0426 -22.0423 -14.1529 -14.1529 -5.6797 -5.6793 -5.6278 -5.6251 -5.6076 -5.6066 -1.4488 -1.4343 0.2295 0.2333 0.2709 0.2904 6.0640 6.0641 6.6724 6.6730 6.7139 6.7141 7.5969 7.6136 8.0004 8.0199 8.0906 8.0924 10.1739 10.1772 10.2104 10.2119 10.2698 10.2727 14.6228 14.6232 14.7448 14.7450 14.7633 14.7642 17.0650 17.0702 k = 0.5022 0.4351 0.4340 ( 2752 PWs) bands (ev): -45.9329 -45.9329 -22.6938 -22.6934 -22.0463 -22.0462 -22.0431 -22.0428 -14.1513 -14.1513 -5.6656 -5.6647 -5.6238 -5.6207 -5.6047 -5.6038 -1.4620 -1.4489 0.2173 0.2207 0.2494 0.2669 6.0478 6.0479 6.6643 6.6647 6.6971 6.6973 7.6081 7.6233 8.0223 8.0390 8.0941 8.0964 10.1996 10.2034 10.2284 10.2300 10.2783 10.2815 14.6362 14.6367 14.7601 14.7602 14.7754 14.7761 17.0451 17.0505 k = 0.5023 0.4440 0.4428 ( 2756 PWs) bands (ev): -45.9329 -45.9329 -22.6941 -22.6937 -22.0465 -22.0464 -22.0435 -22.0432 -14.1499 -14.1499 -5.6537 -5.6524 -5.6197 -5.6163 -5.6021 -5.6012 -1.4736 -1.4619 0.2068 0.2096 0.2307 0.2461 6.0332 6.0332 6.6576 6.6579 6.6824 6.6826 7.6175 7.6309 8.0425 8.0561 8.0974 8.1006 10.2220 10.2264 10.2449 10.2466 10.2857 10.2891 14.6480 14.6484 14.7737 14.7737 14.7860 14.7866 17.0262 17.0308 k = 0.5023 0.4529 0.4517 ( 2758 PWs) bands (ev): -45.9329 -45.9329 -22.6943 -22.6940 -22.0467 -22.0467 -22.0439 -22.0436 -14.1488 -14.1487 -5.6442 -5.6425 -5.6154 -5.6120 -5.5997 -5.5990 -1.4834 -1.4733 0.1978 0.2001 0.2149 0.2279 6.0204 6.0204 6.6521 6.6523 6.6699 6.6700 7.6253 7.6368 8.0603 8.0703 8.1007 8.1051 10.2409 10.2457 10.2597 10.2614 10.2921 10.2958 14.6579 14.6584 14.7852 14.7853 14.7953 14.7957 17.0089 17.0119 k = 0.5024 0.4618 0.4606 ( 2776 PWs) bands (ev): -45.9329 -45.9329 -22.6946 -22.6943 -22.0470 -22.0469 -22.0442 -22.0440 -14.1478 -14.1478 -5.6370 -5.6352 -5.6110 -5.6078 -5.5976 -5.5970 -1.4914 -1.4831 0.1903 0.1921 0.2020 0.2126 6.0095 6.0095 6.6478 6.6480 6.6595 6.6596 7.6317 7.6411 8.0750 8.0811 8.1044 8.1101 10.2562 10.2609 10.2728 10.2743 10.2977 10.3014 14.6662 14.6665 14.7947 14.7949 14.8032 14.8034 16.9939 16.9952 k = 0.5024 0.4707 0.4695 ( 2794 PWs) bands (ev): -45.9329 -45.9329 -22.6948 -22.6946 -22.0472 -22.0472 -22.0444 -22.0442 -14.1470 -14.1470 -5.6318 -5.6302 -5.6068 -5.6041 -5.5958 -5.5954 -1.4976 -1.4910 0.1846 0.1857 0.1921 0.2003 6.0008 6.0009 6.6445 6.6446 6.6513 6.6514 7.6368 7.6441 8.0857 8.0884 8.1088 8.1153 10.2679 10.2721 10.2838 10.2847 10.3025 10.3060 14.6726 14.6729 14.8021 14.8023 14.8096 14.8097 16.9815 16.9817 k = 0.5025 0.4796 0.4784 ( 2800 PWs) bands (ev): -45.9329 -45.9329 -22.6949 -22.6948 -22.0474 -22.0474 -22.0446 -22.0444 -14.1465 -14.1465 -5.6283 -5.6271 -5.6032 -5.6014 -5.5942 -5.5940 -1.5018 -1.4971 0.1804 0.1810 0.1853 0.1909 5.9945 5.9945 6.6421 6.6422 6.6454 6.6455 7.6408 7.6460 8.0921 8.0929 8.1140 8.1197 10.2763 10.2795 10.2921 10.2925 10.3065 10.3096 14.6774 14.6776 14.8073 14.8075 14.8145 14.8145 16.9718 16.9724 k = 0.5025 0.4885 0.4873 ( 2800 PWs) bands (ev): -45.9328 -45.9328 -22.6949 -22.6949 -22.0475 -22.0475 -22.0446 -22.0445 -14.1461 -14.1461 -5.6262 -5.6255 -5.6008 -5.5998 -5.5931 -5.5930 -1.5040 -1.5012 0.1779 0.1780 0.1815 0.1846 5.9905 5.9905 6.6406 6.6406 6.6418 6.6419 7.6436 7.6467 8.0954 8.0954 8.1185 8.1223 10.2817 10.2836 10.2972 10.2973 10.3097 10.3117 14.6803 14.6805 14.8106 14.8107 14.8175 14.8175 16.9663 16.9673 k = 0.5026 0.4974 0.4961 ( 2800 PWs) bands (ev): -45.9328 -45.9328 -22.6949 -22.6949 -22.0475 -22.0475 -22.0446 -22.0446 -14.1460 -14.1460 -5.6253 -5.6251 -5.5997 -5.5994 -5.5925 -5.5925 -1.5043 -1.5035 0.1769 0.1769 0.1806 0.1815 5.9890 5.9890 6.6397 6.6397 6.6407 6.6407 7.6454 7.6463 8.0965 8.0965 8.1212 8.1224 10.2841 10.2847 10.2991 10.2992 10.3116 10.3122 14.6815 14.6816 14.8119 14.8119 14.8187 14.8188 16.9642 16.9642 Writing output data file BaTiO3.save init_run : 9.24s CPU 20.73s WALL ( 1 calls) electrons : 978.22s CPU 1044.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 1.45s CPU 3.08s WALL ( 1 calls) Called by electrons: c_bands : 978.20s CPU 1043.64s WALL ( 1 calls) v_of_rho : 0.20s CPU 0.86s WALL ( 1 calls) v_h : 0.03s CPU 0.06s WALL ( 1 calls) v_xc : 0.16s CPU 0.64s WALL ( 1 calls) newd : 0.41s CPU 0.56s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 328 calls) cegterg : 935.13s CPU 992.73s WALL ( 1145 calls) Called by sum_band: Called by *egterg: h_psi : 440.46s CPU 494.57s WALL ( 21417 calls) s_psi : 25.09s CPU 25.71s WALL ( 21417 calls) g_psi : 0.54s CPU 0.73s WALL ( 19944 calls) cdiaghg : 321.29s CPU 321.63s WALL ( 20272 calls) cegterg:over : 81.53s CPU 81.94s WALL ( 19944 calls) cegterg:upda : 6.36s CPU 10.71s WALL ( 19944 calls) cegterg:last : 6.34s CPU 7.30s WALL ( 2502 calls) Called by h_psi: h_psi:vloc : 383.77s CPU 432.28s WALL ( 21417 calls) h_psi:vnl : 56.39s CPU 61.33s WALL ( 21417 calls) add_vuspsi : 15.51s CPU 20.59s WALL ( 21417 calls) General routines calbec : 40.82s CPU 40.55s WALL ( 21417 calls) fft : 0.57s CPU 1.66s WALL ( 19 calls) ffts : 0.05s CPU 0.59s WALL ( 4 calls) fftw : 372.70s CPU 416.00s WALL ( 1394892 calls) interpolate : 0.14s CPU 0.74s WALL ( 4 calls) davcio : 0.03s CPU 1.54s WALL ( 656 calls) Parallel routines fft_scatter : 329.99s CPU 364.50s WALL ( 1394915 calls) PWSCF : 17m41.73s CPU 20m17.60s WALL This run was terminated on: 16:31:46 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=