Program PWSCF v.5.1.1 starts on 11Oct2015 at 14:12:43 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 2103 449 76 Max 55 20 7 2108 464 80 Sum 2617 949 293 101019 21975 3731 bravais-lattice index = 14 lattice parameter (alat) = 7.5657 a.u. unit-cell volume = 433.0554 (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)= 7.565707 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.002793 celldm(5)= 0.002793 celldm(6)= 0.002793 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.002793 0.999996 0.000000 ) a(3) = ( 0.002793 0.002785 0.999992 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.002793 -0.002785 ) b(2) = ( 0.000000 1.000004 -0.002785 ) b(3) = ( 0.000000 0.000000 1.000008 ) 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 -0.0000349 -0.0000348), wk = 0.0030488 k( 3) = ( 0.0250000 -0.0000698 -0.0000696), wk = 0.0030488 k( 4) = ( 0.0375000 -0.0001047 -0.0001044), wk = 0.0030488 k( 5) = ( 0.0500000 -0.0001396 -0.0001392), wk = 0.0030488 k( 6) = ( 0.0625000 -0.0001745 -0.0001740), wk = 0.0030488 k( 7) = ( 0.0750000 -0.0002094 -0.0002089), wk = 0.0030488 k( 8) = ( 0.0875000 -0.0002443 -0.0002437), wk = 0.0030488 k( 9) = ( 0.1000000 -0.0002793 -0.0002785), wk = 0.0030488 k( 10) = ( 0.1125000 -0.0003142 -0.0003133), wk = 0.0030488 k( 11) = ( 0.1250000 -0.0003491 -0.0003481), wk = 0.0030488 k( 12) = ( 0.1375000 -0.0003840 -0.0003829), wk = 0.0030488 k( 13) = ( 0.1500000 -0.0004189 -0.0004177), wk = 0.0030488 k( 14) = ( 0.1625000 -0.0004538 -0.0004525), wk = 0.0030488 k( 15) = ( 0.1750000 -0.0004887 -0.0004873), wk = 0.0030488 k( 16) = ( 0.1875000 -0.0005236 -0.0005221), wk = 0.0030488 k( 17) = ( 0.2000000 -0.0005585 -0.0005570), wk = 0.0030488 k( 18) = ( 0.2125000 -0.0005934 -0.0005918), wk = 0.0030488 k( 19) = ( 0.2250000 -0.0006283 -0.0006266), wk = 0.0030488 k( 20) = ( 0.2375000 -0.0006632 -0.0006614), wk = 0.0030488 k( 21) = ( 0.2500000 -0.0006981 -0.0006962), wk = 0.0030488 k( 22) = ( 0.2625000 -0.0007330 -0.0007310), wk = 0.0030488 k( 23) = ( 0.2750000 -0.0007679 -0.0007658), wk = 0.0030488 k( 24) = ( 0.2875000 -0.0008029 -0.0008006), wk = 0.0030488 k( 25) = ( 0.3000000 -0.0008378 -0.0008354), wk = 0.0030488 k( 26) = ( 0.3125000 -0.0008727 -0.0008702), wk = 0.0030488 k( 27) = ( 0.3250000 -0.0009076 -0.0009050), wk = 0.0030488 k( 28) = ( 0.3375000 -0.0009425 -0.0009399), wk = 0.0030488 k( 29) = ( 0.3500000 -0.0009774 -0.0009747), wk = 0.0030488 k( 30) = ( 0.3625000 -0.0010123 -0.0010095), wk = 0.0030488 k( 31) = ( 0.3750000 -0.0010472 -0.0010443), wk = 0.0030488 k( 32) = ( 0.3875000 -0.0010821 -0.0010791), wk = 0.0030488 k( 33) = ( 0.4000000 -0.0011170 -0.0011139), wk = 0.0030488 k( 34) = ( 0.4125000 -0.0011519 -0.0011487), wk = 0.0030488 k( 35) = ( 0.4250000 -0.0011868 -0.0011835), wk = 0.0030488 k( 36) = ( 0.4375000 -0.0012217 -0.0012183), wk = 0.0030488 k( 37) = ( 0.4500000 -0.0012566 -0.0012531), wk = 0.0030488 k( 38) = ( 0.4625000 -0.0012915 -0.0012880), wk = 0.0030488 k( 39) = ( 0.4750000 -0.0013265 -0.0013228), wk = 0.0030488 k( 40) = ( 0.4875000 -0.0013614 -0.0013576), wk = 0.0030488 k( 41) = ( 0.5000000 -0.0013963 -0.0013924), wk = 0.0030488 k( 42) = ( 0.5000000 -0.0013963 -0.0013924), wk = 0.0030488 k( 43) = ( 0.5000000 0.0074827 -0.0102962), wk = 0.0030488 k( 44) = ( 0.5000000 0.0163618 -0.0191999), wk = 0.0030488 k( 45) = ( 0.5000000 0.0252408 -0.0281037), wk = 0.0030488 k( 46) = ( 0.5000000 0.0341198 -0.0370075), wk = 0.0030488 k( 47) = ( 0.5000000 0.0429988 -0.0459113), wk = 0.0030488 k( 48) = ( 0.5000000 0.0518778 -0.0548150), wk = 0.0030488 k( 49) = ( 0.5000000 0.0607568 -0.0637188), wk = 0.0030488 k( 50) = ( 0.5000000 0.0696359 -0.0726226), wk = 0.0030488 k( 51) = ( 0.5000000 0.0785149 -0.0815264), wk = 0.0030488 k( 52) = ( 0.5000000 0.0873939 -0.0904302), wk = 0.0030488 k( 53) = ( 0.5000000 0.0962729 -0.0993339), wk = 0.0030488 k( 54) = ( 0.5000000 0.1051519 -0.1082377), wk = 0.0030488 k( 55) = ( 0.5000000 0.1140309 -0.1171415), wk = 0.0030488 k( 56) = ( 0.5000000 0.1229100 -0.1260453), wk = 0.0030488 k( 57) = ( 0.5000000 0.1317890 -0.1349490), wk = 0.0030488 k( 58) = ( 0.5000000 0.1406680 -0.1438528), wk = 0.0030488 k( 59) = ( 0.5000000 0.1495470 -0.1527566), wk = 0.0030488 k( 60) = ( 0.5000000 0.1584260 -0.1616604), wk = 0.0030488 k( 61) = ( 0.5000000 0.1673051 -0.1705641), wk = 0.0030488 k( 62) = ( 0.5000000 0.1761841 -0.1794679), wk = 0.0030488 k( 63) = ( 0.5000000 0.1850631 -0.1883717), wk = 0.0030488 k( 64) = ( 0.5000000 0.1939421 -0.1972755), wk = 0.0030488 k( 65) = ( 0.5000000 0.2028211 -0.2061792), wk = 0.0030488 k( 66) = ( 0.5000000 0.2117001 -0.2150830), wk = 0.0030488 k( 67) = ( 0.5000000 0.2205791 -0.2239868), wk = 0.0030488 k( 68) = ( 0.5000000 0.2294582 -0.2328906), wk = 0.0030488 k( 69) = ( 0.5000000 0.2383372 -0.2417944), wk = 0.0030488 k( 70) = ( 0.5000000 0.2472162 -0.2506981), wk = 0.0030488 k( 71) = ( 0.5000000 0.2560952 -0.2596019), wk = 0.0030488 k( 72) = ( 0.5000000 0.2649742 -0.2685057), wk = 0.0030488 k( 73) = ( 0.5000000 0.2738532 -0.2774095), wk = 0.0030488 k( 74) = ( 0.5000000 0.2827323 -0.2863132), wk = 0.0030488 k( 75) = ( 0.5000000 0.2916113 -0.2952170), wk = 0.0030488 k( 76) = ( 0.5000000 0.3004903 -0.3041208), wk = 0.0030488 k( 77) = ( 0.5000000 0.3093693 -0.3130246), wk = 0.0030488 k( 78) = ( 0.5000000 0.3182483 -0.3219284), wk = 0.0030488 k( 79) = ( 0.5000000 0.3271273 -0.3308321), wk = 0.0030488 k( 80) = ( 0.5000000 0.3360064 -0.3397359), wk = 0.0030488 k( 81) = ( 0.5000000 0.3448854 -0.3486397), wk = 0.0030488 k( 82) = ( 0.5000000 0.3537644 -0.3575435), wk = 0.0030488 k( 83) = ( 0.5000000 0.3626434 -0.3664472), wk = 0.0030488 k( 84) = ( 0.5000000 0.3715224 -0.3753510), wk = 0.0030488 k( 85) = ( 0.5000000 0.3804014 -0.3842548), wk = 0.0030488 k( 86) = ( 0.5000000 0.3892805 -0.3931586), wk = 0.0030488 k( 87) = ( 0.5000000 0.3981595 -0.4020623), wk = 0.0030488 k( 88) = ( 0.5000000 0.4070385 -0.4109661), wk = 0.0030488 k( 89) = ( 0.5000000 0.4159175 -0.4198699), wk = 0.0030488 k( 90) = ( 0.5000000 0.4247965 -0.4287737), wk = 0.0030488 k( 91) = ( 0.5000000 0.4336755 -0.4376774), wk = 0.0030488 k( 92) = ( 0.5000000 0.4425546 -0.4465812), wk = 0.0030488 k( 93) = ( 0.5000000 0.4514336 -0.4554850), wk = 0.0030488 k( 94) = ( 0.5000000 0.4603126 -0.4643888), wk = 0.0030488 k( 95) = ( 0.5000000 0.4691916 -0.4732926), wk = 0.0030488 k( 96) = ( 0.5000000 0.4780706 -0.4821963), wk = 0.0030488 k( 97) = ( 0.5000000 0.4869496 -0.4911001), wk = 0.0030488 k( 98) = ( 0.5000000 0.4958287 -0.5000039), wk = 0.0030488 k( 99) = ( 0.5027770 0.4985979 0.4944344), wk = 0.0030488 k( 100) = ( 0.5000000 0.4986057 0.4972191), wk = 0.0030488 k( 101) = ( 0.5000000 0.4986057 0.4972191), wk = 0.0030488 k( 102) = ( 0.4926471 0.4912732 0.4899071), wk = 0.0030488 k( 103) = ( 0.4852941 0.4839408 0.4825950), wk = 0.0030488 k( 104) = ( 0.4779412 0.4766084 0.4752830), wk = 0.0030488 k( 105) = ( 0.4705882 0.4692759 0.4679709), wk = 0.0030488 k( 106) = ( 0.4632353 0.4619435 0.4606589), wk = 0.0030488 k( 107) = ( 0.4558823 0.4546111 0.4533468), wk = 0.0030488 k( 108) = ( 0.4485294 0.4472786 0.4460348), wk = 0.0030488 k( 109) = ( 0.4411765 0.4399462 0.4387228), wk = 0.0030488 k( 110) = ( 0.4338235 0.4326138 0.4314107), wk = 0.0030488 k( 111) = ( 0.4264706 0.4252813 0.4240987), wk = 0.0030488 k( 112) = ( 0.4191177 0.4179489 0.4167866), wk = 0.0030488 k( 113) = ( 0.4117647 0.4106164 0.4094746), wk = 0.0030488 k( 114) = ( 0.4044118 0.4032840 0.4021625), wk = 0.0030488 k( 115) = ( 0.3970588 0.3959516 0.3948505), wk = 0.0030488 k( 116) = ( 0.3897059 0.3886191 0.3875384), wk = 0.0030488 k( 117) = ( 0.3823529 0.3812867 0.3802264), wk = 0.0030488 k( 118) = ( 0.3750000 0.3739543 0.3729143), wk = 0.0030488 k( 119) = ( 0.3676471 0.3666218 0.3656023), wk = 0.0030488 k( 120) = ( 0.3602941 0.3592894 0.3582903), wk = 0.0030488 k( 121) = ( 0.3529412 0.3519570 0.3509782), wk = 0.0030488 k( 122) = ( 0.3455882 0.3446245 0.3436662), wk = 0.0030488 k( 123) = ( 0.3382353 0.3372921 0.3363541), wk = 0.0030488 k( 124) = ( 0.3308823 0.3299596 0.3290421), wk = 0.0030488 k( 125) = ( 0.3235294 0.3226272 0.3217300), wk = 0.0030488 k( 126) = ( 0.3161765 0.3152948 0.3144180), wk = 0.0030488 k( 127) = ( 0.3088235 0.3079623 0.3071059), wk = 0.0030488 k( 128) = ( 0.3014706 0.3006299 0.2997939), wk = 0.0030488 k( 129) = ( 0.2941177 0.2932975 0.2924818), wk = 0.0030488 k( 130) = ( 0.2867647 0.2859650 0.2851698), wk = 0.0030488 k( 131) = ( 0.2794118 0.2786326 0.2778577), wk = 0.0030488 k( 132) = ( 0.2720588 0.2713001 0.2705457), wk = 0.0030488 k( 133) = ( 0.2647059 0.2639677 0.2632336), wk = 0.0030488 k( 134) = ( 0.2573529 0.2566353 0.2559216), wk = 0.0030488 k( 135) = ( 0.2500000 0.2493028 0.2486096), wk = 0.0030488 k( 136) = ( 0.2426471 0.2419704 0.2412975), wk = 0.0030488 k( 137) = ( 0.2352941 0.2346380 0.2339855), wk = 0.0030488 k( 138) = ( 0.2279412 0.2273055 0.2266734), wk = 0.0030488 k( 139) = ( 0.2205882 0.2199731 0.2193614), wk = 0.0030488 k( 140) = ( 0.2132353 0.2126407 0.2120493), wk = 0.0030488 k( 141) = ( 0.2058823 0.2053082 0.2047373), wk = 0.0030488 k( 142) = ( 0.1985294 0.1979758 0.1974252), wk = 0.0030488 k( 143) = ( 0.1911765 0.1906433 0.1901132), wk = 0.0030488 k( 144) = ( 0.1838235 0.1833109 0.1828011), wk = 0.0030488 k( 145) = ( 0.1764706 0.1759785 0.1754891), wk = 0.0030488 k( 146) = ( 0.1691177 0.1686460 0.1681771), wk = 0.0030488 k( 147) = ( 0.1617647 0.1613136 0.1608650), wk = 0.0030488 k( 148) = ( 0.1544118 0.1539812 0.1535530), wk = 0.0030488 k( 149) = ( 0.1470588 0.1466487 0.1462409), wk = 0.0030488 k( 150) = ( 0.1397059 0.1393163 0.1389289), wk = 0.0030488 k( 151) = ( 0.1323529 0.1319839 0.1316168), wk = 0.0030488 k( 152) = ( 0.1250000 0.1246514 0.1243048), wk = 0.0030488 k( 153) = ( 0.1176471 0.1173190 0.1169927), wk = 0.0030488 k( 154) = ( 0.1102941 0.1099865 0.1096807), wk = 0.0030488 k( 155) = ( 0.1029412 0.1026541 0.1023686), wk = 0.0030488 k( 156) = ( 0.0955882 0.0953217 0.0950566), wk = 0.0030488 k( 157) = ( 0.0882353 0.0879892 0.0877445), wk = 0.0030488 k( 158) = ( 0.0808824 0.0806568 0.0804325), wk = 0.0030488 k( 159) = ( 0.0735294 0.0733244 0.0731205), wk = 0.0030488 k( 160) = ( 0.0661765 0.0659919 0.0658084), wk = 0.0030488 k( 161) = ( 0.0588235 0.0586595 0.0584964), wk = 0.0030488 k( 162) = ( 0.0514706 0.0513271 0.0511843), wk = 0.0030488 k( 163) = ( 0.0441177 0.0439946 0.0438723), wk = 0.0030488 k( 164) = ( 0.0367647 0.0366622 0.0365602), wk = 0.0030488 k( 165) = ( 0.0294118 0.0293297 0.0292482), wk = 0.0030488 k( 166) = ( 0.0220588 0.0219973 0.0219361), wk = 0.0030488 k( 167) = ( 0.0147059 0.0146649 0.0146241), wk = 0.0030488 k( 168) = ( 0.0073529 0.0073324 0.0073120), 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) = ( 0.0089038 -0.0000249 -0.0089286), wk = 0.0030488 k( 172) = ( 0.0178075 -0.0000497 -0.0178573), wk = 0.0030488 k( 173) = ( 0.0267113 -0.0000746 -0.0267859), wk = 0.0030488 k( 174) = ( 0.0356151 -0.0000995 -0.0357146), wk = 0.0030488 k( 175) = ( 0.0445189 -0.0001243 -0.0446432), wk = 0.0030488 k( 176) = ( 0.0534227 -0.0001492 -0.0535718), wk = 0.0030488 k( 177) = ( 0.0623264 -0.0001740 -0.0625005), wk = 0.0030488 k( 178) = ( 0.0712302 -0.0001989 -0.0714291), wk = 0.0030488 k( 179) = ( 0.0801340 -0.0002238 -0.0803578), wk = 0.0030488 k( 180) = ( 0.0890378 -0.0002486 -0.0892864), wk = 0.0030488 k( 181) = ( 0.0979415 -0.0002735 -0.0982150), wk = 0.0030488 k( 182) = ( 0.1068453 -0.0002984 -0.1071437), wk = 0.0030488 k( 183) = ( 0.1157491 -0.0003232 -0.1160723), wk = 0.0030488 k( 184) = ( 0.1246529 -0.0003481 -0.1250010), wk = 0.0030488 k( 185) = ( 0.1335566 -0.0003730 -0.1339296), wk = 0.0030488 k( 186) = ( 0.1424604 -0.0003978 -0.1428583), wk = 0.0030488 k( 187) = ( 0.1513642 -0.0004227 -0.1517869), wk = 0.0030488 k( 188) = ( 0.1602680 -0.0004476 -0.1607155), wk = 0.0030488 k( 189) = ( 0.1691718 -0.0004724 -0.1696442), wk = 0.0030488 k( 190) = ( 0.1780755 -0.0004973 -0.1785728), wk = 0.0030488 k( 191) = ( 0.1869793 -0.0005221 -0.1875015), wk = 0.0030488 k( 192) = ( 0.1958831 -0.0005470 -0.1964301), wk = 0.0030488 k( 193) = ( 0.2047869 -0.0005719 -0.2053587), wk = 0.0030488 k( 194) = ( 0.2136906 -0.0005967 -0.2142874), wk = 0.0030488 k( 195) = ( 0.2225944 -0.0006216 -0.2232160), wk = 0.0030488 k( 196) = ( 0.2314982 -0.0006465 -0.2321447), wk = 0.0030488 k( 197) = ( 0.2404020 -0.0006713 -0.2410733), wk = 0.0030488 k( 198) = ( 0.2493057 -0.0006962 -0.2500019), wk = 0.0030488 k( 199) = ( 0.2582095 -0.0007211 -0.2589306), wk = 0.0030488 k( 200) = ( 0.2671133 -0.0007459 -0.2678592), wk = 0.0030488 k( 201) = ( 0.2760171 -0.0007708 -0.2767879), wk = 0.0030488 k( 202) = ( 0.2849209 -0.0007957 -0.2857165), wk = 0.0030488 k( 203) = ( 0.2938246 -0.0008205 -0.2946451), wk = 0.0030488 k( 204) = ( 0.3027284 -0.0008454 -0.3035738), wk = 0.0030488 k( 205) = ( 0.3116322 -0.0008702 -0.3125024), wk = 0.0030488 k( 206) = ( 0.3205360 -0.0008951 -0.3214311), wk = 0.0030488 k( 207) = ( 0.3294397 -0.0009200 -0.3303597), wk = 0.0030488 k( 208) = ( 0.3383435 -0.0009448 -0.3392883), wk = 0.0030488 k( 209) = ( 0.3472473 -0.0009697 -0.3482170), wk = 0.0030488 k( 210) = ( 0.3561511 -0.0009946 -0.3571456), wk = 0.0030488 k( 211) = ( 0.3650548 -0.0010194 -0.3660743), wk = 0.0030488 k( 212) = ( 0.3739586 -0.0010443 -0.3750029), wk = 0.0030488 k( 213) = ( 0.3828624 -0.0010692 -0.3839316), wk = 0.0030488 k( 214) = ( 0.3917662 -0.0010940 -0.3928602), wk = 0.0030488 k( 215) = ( 0.4006699 -0.0011189 -0.4017888), wk = 0.0030488 k( 216) = ( 0.4095737 -0.0011437 -0.4107175), wk = 0.0030488 k( 217) = ( 0.4184775 -0.0011686 -0.4196461), wk = 0.0030488 k( 218) = ( 0.4273813 -0.0011935 -0.4285748), wk = 0.0030488 k( 219) = ( 0.4362851 -0.0012183 -0.4375034), wk = 0.0030488 k( 220) = ( 0.4451888 -0.0012432 -0.4464320), wk = 0.0030488 k( 221) = ( 0.4540926 -0.0012681 -0.4553607), wk = 0.0030488 k( 222) = ( 0.4629964 -0.0012929 -0.4642893), wk = 0.0030488 k( 223) = ( 0.4719002 -0.0013178 -0.4732180), wk = 0.0030488 k( 224) = ( 0.4808039 -0.0013427 -0.4821466), wk = 0.0030488 k( 225) = ( 0.4897077 -0.0013675 -0.4910753), wk = 0.0030488 k( 226) = ( 0.4986115 -0.0013924 -0.5000039), wk = 0.0030488 k( 227) = ( 0.5013885 0.4972133 -0.0027848), wk = 0.0030488 k( 228) = ( 0.5000000 0.4986057 -0.0027848), wk = 0.0030488 k( 229) = ( 0.5000000 0.4986057 -0.0027848), wk = 0.0030488 k( 230) = ( 0.5000347 0.4986403 0.0096457), wk = 0.0030488 k( 231) = ( 0.5000694 0.4986749 0.0220762), wk = 0.0030488 k( 232) = ( 0.5001041 0.4987095 0.0345067), wk = 0.0030488 k( 233) = ( 0.5001389 0.4987441 0.0469371), wk = 0.0030488 k( 234) = ( 0.5001736 0.4987788 0.0593676), wk = 0.0030488 k( 235) = ( 0.5002083 0.4988134 0.0717981), wk = 0.0030488 k( 236) = ( 0.5002430 0.4988480 0.0842286), wk = 0.0030488 k( 237) = ( 0.5002777 0.4988826 0.0966591), wk = 0.0030488 k( 238) = ( 0.5003124 0.4989172 0.1090895), wk = 0.0030488 k( 239) = ( 0.5003471 0.4989518 0.1215200), wk = 0.0030488 k( 240) = ( 0.5003818 0.4989865 0.1339505), wk = 0.0030488 k( 241) = ( 0.5004165 0.4990211 0.1463810), wk = 0.0030488 k( 242) = ( 0.5004513 0.4990557 0.1588114), wk = 0.0030488 k( 243) = ( 0.5004860 0.4990903 0.1712419), wk = 0.0030488 k( 244) = ( 0.5005207 0.4991249 0.1836724), wk = 0.0030488 k( 245) = ( 0.5005554 0.4991595 0.1961029), wk = 0.0030488 k( 246) = ( 0.5005901 0.4991942 0.2085334), wk = 0.0030488 k( 247) = ( 0.5006248 0.4992288 0.2209638), wk = 0.0030488 k( 248) = ( 0.5006595 0.4992634 0.2333943), wk = 0.0030488 k( 249) = ( 0.5006943 0.4992980 0.2458248), wk = 0.0030488 k( 250) = ( 0.5007290 0.4993326 0.2582553), wk = 0.0030488 k( 251) = ( 0.5007637 0.4993672 0.2706857), wk = 0.0030488 k( 252) = ( 0.5007984 0.4994018 0.2831162), wk = 0.0030488 k( 253) = ( 0.5008331 0.4994365 0.2955467), wk = 0.0030488 k( 254) = ( 0.5008678 0.4994711 0.3079772), wk = 0.0030488 k( 255) = ( 0.5009025 0.4995057 0.3204077), wk = 0.0030488 k( 256) = ( 0.5009372 0.4995403 0.3328381), wk = 0.0030488 k( 257) = ( 0.5009720 0.4995749 0.3452686), wk = 0.0030488 k( 258) = ( 0.5010067 0.4996095 0.3576991), wk = 0.0030488 k( 259) = ( 0.5010414 0.4996442 0.3701296), wk = 0.0030488 k( 260) = ( 0.5010761 0.4996788 0.3825600), wk = 0.0030488 k( 261) = ( 0.5011108 0.4997134 0.3949905), wk = 0.0030488 k( 262) = ( 0.5011455 0.4997480 0.4074210), wk = 0.0030488 k( 263) = ( 0.5011802 0.4997826 0.4198515), wk = 0.0030488 k( 264) = ( 0.5012149 0.4998172 0.4322820), wk = 0.0030488 k( 265) = ( 0.5012497 0.4998519 0.4447124), wk = 0.0030488 k( 266) = ( 0.5012844 0.4998865 0.4571429), wk = 0.0030488 k( 267) = ( 0.5013191 0.4999211 0.4695734), wk = 0.0030488 k( 268) = ( 0.5013538 0.4999557 0.4820039), wk = 0.0030488 k( 269) = ( 0.5013885 0.4999903 0.4944344), wk = 0.0030488 k( 270) = ( 0.5013885 0.4999903 0.4944344), wk = 0.0030488 k( 271) = ( 0.5000000 0.4986057 0.4972191), wk = 0.0030488 k( 272) = ( 0.5000000 -0.0013963 -0.0013924), wk = 0.0030488 k( 273) = ( 0.5000496 0.0075074 0.0074865), wk = 0.0030488 k( 274) = ( 0.5000992 0.0164111 0.0163654), wk = 0.0030488 k( 275) = ( 0.5001488 0.0253148 0.0252444), wk = 0.0030488 k( 276) = ( 0.5001984 0.0342184 0.0341233), wk = 0.0030488 k( 277) = ( 0.5002479 0.0431221 0.0430022), wk = 0.0030488 k( 278) = ( 0.5002975 0.0520258 0.0518811), wk = 0.0030488 k( 279) = ( 0.5003471 0.0609294 0.0607600), wk = 0.0030488 k( 280) = ( 0.5003967 0.0698331 0.0696389), wk = 0.0030488 k( 281) = ( 0.5004463 0.0787368 0.0785178), wk = 0.0030488 k( 282) = ( 0.5004959 0.0876405 0.0873967), wk = 0.0030488 k( 283) = ( 0.5005455 0.0965441 0.0962757), wk = 0.0030488 k( 284) = ( 0.5005951 0.1054478 0.1051546), wk = 0.0030488 k( 285) = ( 0.5006447 0.1143515 0.1140335), wk = 0.0030488 k( 286) = ( 0.5006943 0.1232552 0.1229124), wk = 0.0030488 k( 287) = ( 0.5007438 0.1321588 0.1317913), wk = 0.0030488 k( 288) = ( 0.5007934 0.1410625 0.1406702), wk = 0.0030488 k( 289) = ( 0.5008430 0.1499662 0.1495491), wk = 0.0030488 k( 290) = ( 0.5008926 0.1588698 0.1584280), wk = 0.0030488 k( 291) = ( 0.5009422 0.1677735 0.1673070), wk = 0.0030488 k( 292) = ( 0.5009918 0.1766772 0.1761859), wk = 0.0030488 k( 293) = ( 0.5010414 0.1855809 0.1850648), wk = 0.0030488 k( 294) = ( 0.5010910 0.1944845 0.1939437), wk = 0.0030488 k( 295) = ( 0.5011406 0.2033882 0.2028226), wk = 0.0030488 k( 296) = ( 0.5011902 0.2122919 0.2117015), wk = 0.0030488 k( 297) = ( 0.5012397 0.2211956 0.2205804), wk = 0.0030488 k( 298) = ( 0.5012893 0.2300992 0.2294593), wk = 0.0030488 k( 299) = ( 0.5013389 0.2390029 0.2383383), wk = 0.0030488 k( 300) = ( 0.5013885 0.2479066 0.2472172), wk = 0.0030488 k( 301) = ( 0.5014381 0.2568102 0.2560961), wk = 0.0030488 k( 302) = ( 0.5014877 0.2657139 0.2649750), wk = 0.0030488 k( 303) = ( 0.5015373 0.2746176 0.2738539), wk = 0.0030488 k( 304) = ( 0.5015869 0.2835213 0.2827328), wk = 0.0030488 k( 305) = ( 0.5016365 0.2924249 0.2916117), wk = 0.0030488 k( 306) = ( 0.5016860 0.3013286 0.3004907), wk = 0.0030488 k( 307) = ( 0.5017356 0.3102323 0.3093696), wk = 0.0030488 k( 308) = ( 0.5017852 0.3191360 0.3182485), wk = 0.0030488 k( 309) = ( 0.5018348 0.3280396 0.3271274), wk = 0.0030488 k( 310) = ( 0.5018844 0.3369433 0.3360063), wk = 0.0030488 k( 311) = ( 0.5019340 0.3458470 0.3448852), wk = 0.0030488 k( 312) = ( 0.5019836 0.3547507 0.3537641), wk = 0.0030488 k( 313) = ( 0.5020332 0.3636543 0.3626430), wk = 0.0030488 k( 314) = ( 0.5020828 0.3725580 0.3715220), wk = 0.0030488 k( 315) = ( 0.5021324 0.3814617 0.3804009), wk = 0.0030488 k( 316) = ( 0.5021819 0.3903653 0.3892798), wk = 0.0030488 k( 317) = ( 0.5022315 0.3992690 0.3981587), wk = 0.0030488 k( 318) = ( 0.5022811 0.4081727 0.4070376), wk = 0.0030488 k( 319) = ( 0.5023307 0.4170764 0.4159165), wk = 0.0030488 k( 320) = ( 0.5023803 0.4259800 0.4247954), wk = 0.0030488 k( 321) = ( 0.5024299 0.4348837 0.4336743), wk = 0.0030488 k( 322) = ( 0.5024795 0.4437874 0.4425533), wk = 0.0030488 k( 323) = ( 0.5025291 0.4526911 0.4514322), wk = 0.0030488 k( 324) = ( 0.5025787 0.4615947 0.4603111), wk = 0.0030488 k( 325) = ( 0.5026282 0.4704984 0.4691900), wk = 0.0030488 k( 326) = ( 0.5026778 0.4794021 0.4780689), wk = 0.0030488 k( 327) = ( 0.5027274 0.4883057 0.4869478), wk = 0.0030488 k( 328) = ( 0.5027770 0.4972094 0.4958267), 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 0.0088790 -0.0088790), wk = 0.0030488 k( 44) = ( 0.5000000 0.0177580 -0.0177580), wk = 0.0030488 k( 45) = ( 0.5000000 0.0266370 -0.0266370), wk = 0.0030488 k( 46) = ( 0.5000000 0.0355159 -0.0355159), wk = 0.0030488 k( 47) = ( 0.5000000 0.0443949 -0.0443949), wk = 0.0030488 k( 48) = ( 0.5000000 0.0532739 -0.0532739), wk = 0.0030488 k( 49) = ( 0.5000000 0.0621529 -0.0621529), wk = 0.0030488 k( 50) = ( 0.5000000 0.0710319 -0.0710319), wk = 0.0030488 k( 51) = ( 0.5000000 0.0799108 -0.0799108), wk = 0.0030488 k( 52) = ( 0.5000000 0.0887898 -0.0887898), wk = 0.0030488 k( 53) = ( 0.5000000 0.0976688 -0.0976688), wk = 0.0030488 k( 54) = ( 0.5000000 0.1065478 -0.1065478), wk = 0.0030488 k( 55) = ( 0.5000000 0.1154268 -0.1154268), wk = 0.0030488 k( 56) = ( 0.5000000 0.1243058 -0.1243058), wk = 0.0030488 k( 57) = ( 0.5000000 0.1331847 -0.1331847), wk = 0.0030488 k( 58) = ( 0.5000000 0.1420637 -0.1420637), wk = 0.0030488 k( 59) = ( 0.5000000 0.1509427 -0.1509427), wk = 0.0030488 k( 60) = ( 0.5000000 0.1598217 -0.1598217), wk = 0.0030488 k( 61) = ( 0.5000000 0.1687007 -0.1687007), wk = 0.0030488 k( 62) = ( 0.5000000 0.1775796 -0.1775796), wk = 0.0030488 k( 63) = ( 0.5000000 0.1864586 -0.1864586), wk = 0.0030488 k( 64) = ( 0.5000000 0.1953376 -0.1953376), wk = 0.0030488 k( 65) = ( 0.5000000 0.2042166 -0.2042166), wk = 0.0030488 k( 66) = ( 0.5000000 0.2130956 -0.2130956), wk = 0.0030488 k( 67) = ( 0.5000000 0.2219746 -0.2219746), wk = 0.0030488 k( 68) = ( 0.5000000 0.2308535 -0.2308535), wk = 0.0030488 k( 69) = ( 0.5000000 0.2397325 -0.2397325), wk = 0.0030488 k( 70) = ( 0.5000000 0.2486115 -0.2486115), wk = 0.0030488 k( 71) = ( 0.5000000 0.2574905 -0.2574905), wk = 0.0030488 k( 72) = ( 0.5000000 0.2663695 -0.2663695), wk = 0.0030488 k( 73) = ( 0.5000000 0.2752484 -0.2752484), wk = 0.0030488 k( 74) = ( 0.5000000 0.2841274 -0.2841274), wk = 0.0030488 k( 75) = ( 0.5000000 0.2930064 -0.2930064), wk = 0.0030488 k( 76) = ( 0.5000000 0.3018854 -0.3018854), wk = 0.0030488 k( 77) = ( 0.5000000 0.3107644 -0.3107644), wk = 0.0030488 k( 78) = ( 0.5000000 0.3196433 -0.3196433), wk = 0.0030488 k( 79) = ( 0.5000000 0.3285223 -0.3285223), wk = 0.0030488 k( 80) = ( 0.5000000 0.3374013 -0.3374013), wk = 0.0030488 k( 81) = ( 0.5000000 0.3462803 -0.3462803), wk = 0.0030488 k( 82) = ( 0.5000000 0.3551593 -0.3551593), wk = 0.0030488 k( 83) = ( 0.5000000 0.3640383 -0.3640383), wk = 0.0030488 k( 84) = ( 0.5000000 0.3729172 -0.3729172), wk = 0.0030488 k( 85) = ( 0.5000000 0.3817962 -0.3817962), wk = 0.0030488 k( 86) = ( 0.5000000 0.3906752 -0.3906752), wk = 0.0030488 k( 87) = ( 0.5000000 0.3995542 -0.3995542), wk = 0.0030488 k( 88) = ( 0.5000000 0.4084332 -0.4084332), wk = 0.0030488 k( 89) = ( 0.5000000 0.4173121 -0.4173122), wk = 0.0030488 k( 90) = ( 0.5000000 0.4261911 -0.4261911), wk = 0.0030488 k( 91) = ( 0.5000000 0.4350701 -0.4350701), wk = 0.0030488 k( 92) = ( 0.5000000 0.4439491 -0.4439491), wk = 0.0030488 k( 93) = ( 0.5000000 0.4528281 -0.4528281), wk = 0.0030488 k( 94) = ( 0.5000000 0.4617071 -0.4617071), wk = 0.0030488 k( 95) = ( 0.5000000 0.4705860 -0.4705860), wk = 0.0030488 k( 96) = ( 0.5000000 0.4794650 -0.4794650), wk = 0.0030488 k( 97) = ( 0.5000000 0.4883440 -0.4883440), wk = 0.0030488 k( 98) = ( 0.5000000 0.4972230 -0.4972230), wk = 0.0030488 k( 99) = ( 0.5027770 0.5000000 0.4972230), 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 0.4558824), 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 0.2941177), 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 0.2058824), 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 0.0808824 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 0.0441177), 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) = ( 0.0089038 0.0000000 -0.0089038), wk = 0.0030488 k( 172) = ( 0.0178075 -0.0000000 -0.0178075), wk = 0.0030488 k( 173) = ( 0.0267113 0.0000000 -0.0267113), wk = 0.0030488 k( 174) = ( 0.0356151 0.0000000 -0.0356151), wk = 0.0030488 k( 175) = ( 0.0445189 0.0000000 -0.0445189), wk = 0.0030488 k( 176) = ( 0.0534227 0.0000000 -0.0534227), wk = 0.0030488 k( 177) = ( 0.0623264 0.0000000 -0.0623264), wk = 0.0030488 k( 178) = ( 0.0712302 -0.0000000 -0.0712302), wk = 0.0030488 k( 179) = ( 0.0801340 -0.0000000 -0.0801340), wk = 0.0030488 k( 180) = ( 0.0890378 0.0000000 -0.0890378), wk = 0.0030488 k( 181) = ( 0.0979415 0.0000000 -0.0979415), wk = 0.0030488 k( 182) = ( 0.1068453 0.0000000 -0.1068453), wk = 0.0030488 k( 183) = ( 0.1157491 0.0000000 -0.1157491), wk = 0.0030488 k( 184) = ( 0.1246529 -0.0000000 -0.1246529), wk = 0.0030488 k( 185) = ( 0.1335566 0.0000000 -0.1335567), wk = 0.0030488 k( 186) = ( 0.1424604 0.0000000 -0.1424604), wk = 0.0030488 k( 187) = ( 0.1513642 -0.0000000 -0.1513642), wk = 0.0030488 k( 188) = ( 0.1602680 -0.0000000 -0.1602680), wk = 0.0030488 k( 189) = ( 0.1691718 0.0000000 -0.1691718), wk = 0.0030488 k( 190) = ( 0.1780755 0.0000000 -0.1780755), wk = 0.0030488 k( 191) = ( 0.1869793 -0.0000000 -0.1869793), wk = 0.0030488 k( 192) = ( 0.1958831 0.0000000 -0.1958831), wk = 0.0030488 k( 193) = ( 0.2047869 0.0000000 -0.2047869), wk = 0.0030488 k( 194) = ( 0.2136906 0.0000000 -0.2136906), wk = 0.0030488 k( 195) = ( 0.2225944 0.0000000 -0.2225944), wk = 0.0030488 k( 196) = ( 0.2314982 0.0000000 -0.2314982), wk = 0.0030488 k( 197) = ( 0.2404020 -0.0000000 -0.2404020), wk = 0.0030488 k( 198) = ( 0.2493057 0.0000000 -0.2493058), wk = 0.0030488 k( 199) = ( 0.2582095 0.0000000 -0.2582095), wk = 0.0030488 k( 200) = ( 0.2671133 0.0000000 -0.2671133), wk = 0.0030488 k( 201) = ( 0.2760171 -0.0000000 -0.2760171), wk = 0.0030488 k( 202) = ( 0.2849209 0.0000000 -0.2849209), wk = 0.0030488 k( 203) = ( 0.2938246 -0.0000000 -0.2938246), wk = 0.0030488 k( 204) = ( 0.3027284 0.0000000 -0.3027284), wk = 0.0030488 k( 205) = ( 0.3116322 0.0000000 -0.3116322), wk = 0.0030488 k( 206) = ( 0.3205360 -0.0000000 -0.3205360), wk = 0.0030488 k( 207) = ( 0.3294397 -0.0000000 -0.3294397), wk = 0.0030488 k( 208) = ( 0.3383435 -0.0000000 -0.3383435), wk = 0.0030488 k( 209) = ( 0.3472473 0.0000000 -0.3472473), wk = 0.0030488 k( 210) = ( 0.3561511 -0.0000000 -0.3561511), wk = 0.0030488 k( 211) = ( 0.3650548 0.0000000 -0.3650548), wk = 0.0030488 k( 212) = ( 0.3739586 -0.0000000 -0.3739586), wk = 0.0030488 k( 213) = ( 0.3828624 0.0000000 -0.3828624), wk = 0.0030488 k( 214) = ( 0.3917662 0.0000000 -0.3917662), wk = 0.0030488 k( 215) = ( 0.4006699 -0.0000000 -0.4006699), wk = 0.0030488 k( 216) = ( 0.4095737 0.0000000 -0.4095737), wk = 0.0030488 k( 217) = ( 0.4184775 -0.0000000 -0.4184775), wk = 0.0030488 k( 218) = ( 0.4273813 0.0000000 -0.4273813), wk = 0.0030488 k( 219) = ( 0.4362851 -0.0000000 -0.4362851), wk = 0.0030488 k( 220) = ( 0.4451888 0.0000000 -0.4451888), wk = 0.0030488 k( 221) = ( 0.4540926 0.0000000 -0.4540926), wk = 0.0030488 k( 222) = ( 0.4629964 -0.0000000 -0.4629964), wk = 0.0030488 k( 223) = ( 0.4719002 0.0000000 -0.4719002), wk = 0.0030488 k( 224) = ( 0.4808039 -0.0000000 -0.4808039), wk = 0.0030488 k( 225) = ( 0.4897077 -0.0000000 -0.4897077), wk = 0.0030488 k( 226) = ( 0.4986115 -0.0000000 -0.4986115), wk = 0.0030488 k( 227) = ( 0.5013885 0.4986115 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) = ( 0.5000347 0.5000347 0.0124306), wk = 0.0030488 k( 231) = ( 0.5000694 0.5000694 0.0248612), wk = 0.0030488 k( 232) = ( 0.5001041 0.5001041 0.0372917), wk = 0.0030488 k( 233) = ( 0.5001389 0.5001389 0.0497223), wk = 0.0030488 k( 234) = ( 0.5001736 0.5001736 0.0621529), wk = 0.0030488 k( 235) = ( 0.5002083 0.5002083 0.0745834), wk = 0.0030488 k( 236) = ( 0.5002430 0.5002430 0.0870140), wk = 0.0030488 k( 237) = ( 0.5002777 0.5002777 0.0994446), wk = 0.0030488 k( 238) = ( 0.5003124 0.5003124 0.1118752), wk = 0.0030488 k( 239) = ( 0.5003471 0.5003471 0.1243058), wk = 0.0030488 k( 240) = ( 0.5003818 0.5003818 0.1367363), wk = 0.0030488 k( 241) = ( 0.5004165 0.5004165 0.1491669), wk = 0.0030488 k( 242) = ( 0.5004513 0.5004513 0.1615975), wk = 0.0030488 k( 243) = ( 0.5004860 0.5004860 0.1740280), wk = 0.0030488 k( 244) = ( 0.5005207 0.5005207 0.1864586), wk = 0.0030488 k( 245) = ( 0.5005554 0.5005554 0.1988892), wk = 0.0030488 k( 246) = ( 0.5005901 0.5005901 0.2113198), wk = 0.0030488 k( 247) = ( 0.5006248 0.5006248 0.2237503), wk = 0.0030488 k( 248) = ( 0.5006595 0.5006595 0.2361809), wk = 0.0030488 k( 249) = ( 0.5006943 0.5006943 0.2486115), wk = 0.0030488 k( 250) = ( 0.5007290 0.5007290 0.2610421), wk = 0.0030488 k( 251) = ( 0.5007637 0.5007637 0.2734726), wk = 0.0030488 k( 252) = ( 0.5007984 0.5007984 0.2859032), wk = 0.0030488 k( 253) = ( 0.5008331 0.5008331 0.2983338), wk = 0.0030488 k( 254) = ( 0.5008678 0.5008678 0.3107644), wk = 0.0030488 k( 255) = ( 0.5009025 0.5009025 0.3231949), wk = 0.0030488 k( 256) = ( 0.5009372 0.5009372 0.3356255), wk = 0.0030488 k( 257) = ( 0.5009720 0.5009720 0.3480561), wk = 0.0030488 k( 258) = ( 0.5010067 0.5010067 0.3604867), wk = 0.0030488 k( 259) = ( 0.5010414 0.5010414 0.3729172), wk = 0.0030488 k( 260) = ( 0.5010761 0.5010761 0.3853478), wk = 0.0030488 k( 261) = ( 0.5011108 0.5011108 0.3977784), wk = 0.0030488 k( 262) = ( 0.5011455 0.5011455 0.4102090), wk = 0.0030488 k( 263) = ( 0.5011802 0.5011802 0.4226395), wk = 0.0030488 k( 264) = ( 0.5012149 0.5012149 0.4350701), wk = 0.0030488 k( 265) = ( 0.5012497 0.5012497 0.4475007), wk = 0.0030488 k( 266) = ( 0.5012844 0.5012844 0.4599313), wk = 0.0030488 k( 267) = ( 0.5013191 0.5013191 0.4723618), wk = 0.0030488 k( 268) = ( 0.5013538 0.5013538 0.4847924), wk = 0.0030488 k( 269) = ( 0.5013885 0.5013885 0.4972230), wk = 0.0030488 k( 270) = ( 0.5013885 0.5013885 0.4972230), 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) = ( 0.5000496 0.0089038 0.0089038), wk = 0.0030488 k( 274) = ( 0.5000992 0.0178076 0.0178075), wk = 0.0030488 k( 275) = ( 0.5001488 0.0267113 0.0267113), wk = 0.0030488 k( 276) = ( 0.5001984 0.0356151 0.0356151), wk = 0.0030488 k( 277) = ( 0.5002479 0.0445189 0.0445189), wk = 0.0030488 k( 278) = ( 0.5002975 0.0534227 0.0534227), wk = 0.0030488 k( 279) = ( 0.5003471 0.0623264 0.0623264), wk = 0.0030488 k( 280) = ( 0.5003967 0.0712302 0.0712302), wk = 0.0030488 k( 281) = ( 0.5004463 0.0801340 0.0801340), wk = 0.0030488 k( 282) = ( 0.5004959 0.0890378 0.0890378), wk = 0.0030488 k( 283) = ( 0.5005455 0.0979415 0.0979415), wk = 0.0030488 k( 284) = ( 0.5005951 0.1068453 0.1068453), wk = 0.0030488 k( 285) = ( 0.5006447 0.1157491 0.1157491), wk = 0.0030488 k( 286) = ( 0.5006943 0.1246529 0.1246529), wk = 0.0030488 k( 287) = ( 0.5007438 0.1335567 0.1335566), wk = 0.0030488 k( 288) = ( 0.5007934 0.1424604 0.1424604), wk = 0.0030488 k( 289) = ( 0.5008430 0.1513642 0.1513642), wk = 0.0030488 k( 290) = ( 0.5008926 0.1602680 0.1602680), wk = 0.0030488 k( 291) = ( 0.5009422 0.1691718 0.1691718), wk = 0.0030488 k( 292) = ( 0.5009918 0.1780755 0.1780755), wk = 0.0030488 k( 293) = ( 0.5010414 0.1869793 0.1869793), wk = 0.0030488 k( 294) = ( 0.5010910 0.1958831 0.1958831), wk = 0.0030488 k( 295) = ( 0.5011406 0.2047869 0.2047869), wk = 0.0030488 k( 296) = ( 0.5011902 0.2136906 0.2136906), wk = 0.0030488 k( 297) = ( 0.5012397 0.2225944 0.2225944), wk = 0.0030488 k( 298) = ( 0.5012893 0.2314982 0.2314982), wk = 0.0030488 k( 299) = ( 0.5013389 0.2404020 0.2404020), wk = 0.0030488 k( 300) = ( 0.5013885 0.2493058 0.2493057), wk = 0.0030488 k( 301) = ( 0.5014381 0.2582095 0.2582095), wk = 0.0030488 k( 302) = ( 0.5014877 0.2671133 0.2671133), wk = 0.0030488 k( 303) = ( 0.5015373 0.2760171 0.2760171), wk = 0.0030488 k( 304) = ( 0.5015869 0.2849209 0.2849209), wk = 0.0030488 k( 305) = ( 0.5016365 0.2938246 0.2938246), wk = 0.0030488 k( 306) = ( 0.5016860 0.3027284 0.3027284), wk = 0.0030488 k( 307) = ( 0.5017356 0.3116322 0.3116322), wk = 0.0030488 k( 308) = ( 0.5017852 0.3205360 0.3205360), wk = 0.0030488 k( 309) = ( 0.5018348 0.3294397 0.3294397), wk = 0.0030488 k( 310) = ( 0.5018844 0.3383435 0.3383435), wk = 0.0030488 k( 311) = ( 0.5019340 0.3472473 0.3472473), wk = 0.0030488 k( 312) = ( 0.5019836 0.3561511 0.3561511), wk = 0.0030488 k( 313) = ( 0.5020332 0.3650548 0.3650548), wk = 0.0030488 k( 314) = ( 0.5020828 0.3739586 0.3739586), wk = 0.0030488 k( 315) = ( 0.5021324 0.3828624 0.3828624), wk = 0.0030488 k( 316) = ( 0.5021819 0.3917662 0.3917662), wk = 0.0030488 k( 317) = ( 0.5022315 0.4006700 0.4006700), wk = 0.0030488 k( 318) = ( 0.5022811 0.4095737 0.4095737), wk = 0.0030488 k( 319) = ( 0.5023307 0.4184775 0.4184775), wk = 0.0030488 k( 320) = ( 0.5023803 0.4273813 0.4273813), wk = 0.0030488 k( 321) = ( 0.5024299 0.4362851 0.4362851), wk = 0.0030488 k( 322) = ( 0.5024795 0.4451888 0.4451888), wk = 0.0030488 k( 323) = ( 0.5025291 0.4540926 0.4540926), wk = 0.0030488 k( 324) = ( 0.5025787 0.4629964 0.4629964), wk = 0.0030488 k( 325) = ( 0.5026282 0.4719002 0.4719002), wk = 0.0030488 k( 326) = ( 0.5026778 0.4808039 0.4808039), wk = 0.0030488 k( 327) = ( 0.5027274 0.4897077 0.4897077), wk = 0.0030488 k( 328) = ( 0.5027770 0.4986115 0.4986115), wk = 0.0030488 Dense grid: 101019 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 21975 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 ( 2107) G-vector shells 0.01 Mb ( 1699) 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 45.7 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 49.1 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.4 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.9 secs Computing kpt #: 5 total cpu time spent up to now is 57.9 secs Computing kpt #: 6 total cpu time spent up to now is 60.1 secs Computing kpt #: 7 total cpu time spent up to now is 61.9 secs Computing kpt #: 8 total cpu time spent up to now is 63.6 secs Computing kpt #: 9 total cpu time spent up to now is 65.4 secs Computing kpt #: 10 total cpu time spent up to now is 67.1 secs Computing kpt #: 11 total cpu time spent up to now is 68.5 secs Computing kpt #: 12 total cpu time spent up to now is 70.1 secs Computing kpt #: 13 total cpu time spent up to now is 71.4 secs Computing kpt #: 14 total cpu time spent up to now is 72.8 secs Computing kpt #: 15 total cpu time spent up to now is 74.1 secs Computing kpt #: 16 total cpu time spent up to now is 75.4 secs Computing kpt #: 17 total cpu time spent up to now is 76.6 secs Computing kpt #: 18 total cpu time spent up to now is 78.1 secs Computing kpt #: 19 total cpu time spent up to now is 79.7 secs Computing kpt #: 20 total cpu time spent up to now is 81.0 secs Computing kpt #: 21 total cpu time spent up to now is 82.2 secs Computing kpt #: 22 total cpu time spent up to now is 83.5 secs Computing kpt #: 23 total cpu time spent up to now is 84.9 secs Computing kpt #: 24 total cpu time spent up to now is 86.3 secs Computing kpt #: 25 total cpu time spent up to now is 87.5 secs Computing kpt #: 26 total cpu time spent up to now is 88.7 secs Computing kpt #: 27 total cpu time spent up to now is 90.1 secs Computing kpt #: 28 total cpu time spent up to now is 91.4 secs Computing kpt #: 29 total cpu time spent up to now is 92.6 secs Computing kpt #: 30 total cpu time spent up to now is 93.8 secs Computing kpt #: 31 total cpu time spent up to now is 95.0 secs Computing kpt #: 32 total cpu time spent up to now is 96.2 secs Computing kpt #: 33 total cpu time spent up to now is 97.4 secs Computing kpt #: 34 total cpu time spent up to now is 98.8 secs Computing kpt #: 35 total cpu time spent up to now is 99.9 secs Computing kpt #: 36 total cpu time spent up to now is 101.3 secs Computing kpt #: 37 total cpu time spent up to now is 102.6 secs Computing kpt #: 38 total cpu time spent up to now is 104.0 secs Computing kpt #: 39 total cpu time spent up to now is 105.2 secs Computing kpt #: 40 total cpu time spent up to now is 106.4 secs Computing kpt #: 41 total cpu time spent up to now is 107.6 secs Computing kpt #: 42 total cpu time spent up to now is 108.7 secs Computing kpt #: 43 total cpu time spent up to now is 110.1 secs Computing kpt #: 44 total cpu time spent up to now is 111.4 secs Computing kpt #: 45 total cpu time spent up to now is 112.9 secs Computing kpt #: 46 total cpu time spent up to now is 114.2 secs Computing kpt #: 47 total cpu time spent up to now is 115.6 secs Computing kpt #: 48 total cpu time spent up to now is 117.0 secs Computing kpt #: 49 total cpu time spent up to now is 118.2 secs Computing kpt #: 50 total cpu time spent up to now is 119.5 secs Computing kpt #: 51 total cpu time spent up to now is 120.7 secs Computing kpt #: 52 total cpu time spent up to now is 122.0 secs Computing kpt #: 53 total cpu time spent up to now is 123.2 secs Computing kpt #: 54 total cpu time spent up to now is 124.4 secs Computing kpt #: 55 total cpu time spent up to now is 125.9 secs Computing kpt #: 56 total cpu time spent up to now is 127.1 secs Computing kpt #: 57 total cpu time spent up to now is 128.3 secs Computing kpt #: 58 total cpu time spent up to now is 129.5 secs Computing kpt #: 59 total cpu time spent up to now is 130.7 secs Computing kpt #: 60 total cpu time spent up to now is 131.9 secs Computing kpt #: 61 total cpu time spent up to now is 133.2 secs Computing kpt #: 62 total cpu time spent up to now is 134.4 secs Computing kpt #: 63 total cpu time spent up to now is 135.6 secs Computing kpt #: 64 total cpu time spent up to now is 136.9 secs Computing kpt #: 65 total cpu time spent up to now is 138.5 secs Computing kpt #: 66 total cpu time spent up to now is 139.8 secs Computing kpt #: 67 total cpu time spent up to now is 141.3 secs Computing kpt #: 68 total cpu time spent up to now is 142.9 secs Computing kpt #: 69 total cpu time spent up to now is 144.5 secs Computing kpt #: 70 total cpu time spent up to now is 145.8 secs Computing kpt #: 71 total cpu time spent up to now is 147.2 secs Computing kpt #: 72 total cpu time spent up to now is 148.6 secs Computing kpt #: 73 total cpu time spent up to now is 150.1 secs Computing kpt #: 74 total cpu time spent up to now is 152.0 secs Computing kpt #: 75 total cpu time spent up to now is 153.6 secs Computing kpt #: 76 total cpu time spent up to now is 155.6 secs Computing kpt #: 77 total cpu time spent up to now is 157.2 secs Computing kpt #: 78 total cpu time spent up to now is 159.4 secs Computing kpt #: 79 total cpu time spent up to now is 161.4 secs Computing kpt #: 80 total cpu time spent up to now is 163.6 secs Computing kpt #: 81 total cpu time spent up to now is 165.6 secs Computing kpt #: 82 total cpu time spent up to now is 168.1 secs Computing kpt #: 83 total cpu time spent up to now is 170.6 secs Computing kpt #: 84 total cpu time spent up to now is 173.3 secs Computing kpt #: 85 total cpu time spent up to now is 175.8 secs Computing kpt #: 86 total cpu time spent up to now is 178.2 secs Computing kpt #: 87 total cpu time spent up to now is 181.0 secs Computing kpt #: 88 total cpu time spent up to now is 183.6 secs Computing kpt #: 89 total cpu time spent up to now is 186.3 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 189.6 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.7 secs Computing kpt #: 92 total cpu time spent up to now is 195.9 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 199.2 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 202.4 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 205.6 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 208.8 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 211.9 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 215.1 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 218.2 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.2 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 224.3 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 227.4 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 230.5 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 233.6 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 236.7 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 239.8 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 242.9 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 246.0 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.2 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 252.3 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 255.4 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 258.6 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 261.7 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 264.8 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 268.0 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 271.2 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 274.3 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 277.6 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.4 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 285.5 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 288.7 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 291.8 secs Computing kpt #: 123 total cpu time spent up to now is 294.0 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 297.1 secs Computing kpt #: 125 total cpu time spent up to now is 300.1 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 303.3 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 306.5 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 309.7 secs Computing kpt #: 129 total cpu time spent up to now is 312.1 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 315.3 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 318.3 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 321.4 secs Computing kpt #: 133 total cpu time spent up to now is 323.1 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 326.2 secs Computing kpt #: 135 total cpu time spent up to now is 328.6 secs Computing kpt #: 136 total cpu time spent up to now is 331.1 secs Computing kpt #: 137 total cpu time spent up to now is 332.8 secs Computing kpt #: 138 total cpu time spent up to now is 334.5 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 337.7 secs Computing kpt #: 140 total cpu time spent up to now is 339.2 secs Computing kpt #: 141 total cpu time spent up to now is 340.8 secs Computing kpt #: 142 total cpu time spent up to now is 342.4 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 345.6 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 348.9 secs Computing kpt #: 145 total cpu time spent up to now is 350.3 secs Computing kpt #: 146 total cpu time spent up to now is 351.8 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 355.1 secs Computing kpt #: 148 total cpu time spent up to now is 356.7 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 359.8 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 363.1 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 366.4 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 369.6 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 372.8 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 375.8 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 379.1 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 382.3 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 385.5 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 388.7 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 391.9 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 395.1 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 398.3 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 401.5 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 404.8 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 408.2 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 411.4 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 414.6 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 417.6 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 420.9 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 424.0 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 427.1 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 430.4 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 433.7 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 437.0 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 440.3 secs Computing kpt #: 175 total cpu time spent up to now is 443.3 secs Computing kpt #: 176 total cpu time spent up to now is 445.4 secs Computing kpt #: 177 total cpu time spent up to now is 447.4 secs Computing kpt #: 178 total cpu time spent up to now is 450.1 secs Computing kpt #: 179 total cpu time spent up to now is 452.0 secs Computing kpt #: 180 total cpu time spent up to now is 453.9 secs Computing kpt #: 181 total cpu time spent up to now is 455.6 secs Computing kpt #: 182 total cpu time spent up to now is 457.2 secs Computing kpt #: 183 total cpu time spent up to now is 459.1 secs Computing kpt #: 184 total cpu time spent up to now is 460.7 secs Computing kpt #: 185 total cpu time spent up to now is 462.0 secs Computing kpt #: 186 total cpu time spent up to now is 463.8 secs Computing kpt #: 187 total cpu time spent up to now is 465.1 secs Computing kpt #: 188 total cpu time spent up to now is 466.7 secs Computing kpt #: 189 total cpu time spent up to now is 468.3 secs Computing kpt #: 190 total cpu time spent up to now is 469.6 secs Computing kpt #: 191 total cpu time spent up to now is 471.0 secs Computing kpt #: 192 total cpu time spent up to now is 472.2 secs Computing kpt #: 193 total cpu time spent up to now is 473.5 secs Computing kpt #: 194 total cpu time spent up to now is 474.7 secs Computing kpt #: 195 total cpu time spent up to now is 476.0 secs Computing kpt #: 196 total cpu time spent up to now is 477.5 secs Computing kpt #: 197 total cpu time spent up to now is 478.7 secs Computing kpt #: 198 total cpu time spent up to now is 480.0 secs Computing kpt #: 199 total cpu time spent up to now is 481.3 secs Computing kpt #: 200 total cpu time spent up to now is 482.5 secs Computing kpt #: 201 total cpu time spent up to now is 483.7 secs Computing kpt #: 202 total cpu time spent up to now is 484.9 secs Computing kpt #: 203 total cpu time spent up to now is 486.1 secs Computing kpt #: 204 total cpu time spent up to now is 487.6 secs Computing kpt #: 205 total cpu time spent up to now is 488.8 secs Computing kpt #: 206 total cpu time spent up to now is 489.9 secs Computing kpt #: 207 total cpu time spent up to now is 491.1 secs Computing kpt #: 208 total cpu time spent up to now is 492.3 secs Computing kpt #: 209 total cpu time spent up to now is 493.5 secs Computing kpt #: 210 total cpu time spent up to now is 494.7 secs Computing kpt #: 211 total cpu time spent up to now is 495.9 secs Computing kpt #: 212 total cpu time spent up to now is 497.0 secs Computing kpt #: 213 total cpu time spent up to now is 498.3 secs Computing kpt #: 214 total cpu time spent up to now is 499.5 secs Computing kpt #: 215 total cpu time spent up to now is 500.7 secs Computing kpt #: 216 total cpu time spent up to now is 501.9 secs Computing kpt #: 217 total cpu time spent up to now is 503.1 secs Computing kpt #: 218 total cpu time spent up to now is 504.2 secs Computing kpt #: 219 total cpu time spent up to now is 505.2 secs Computing kpt #: 220 total cpu time spent up to now is 506.2 secs Computing kpt #: 221 total cpu time spent up to now is 507.3 secs Computing kpt #: 222 total cpu time spent up to now is 508.3 secs Computing kpt #: 223 total cpu time spent up to now is 509.3 secs Computing kpt #: 224 total cpu time spent up to now is 510.3 secs Computing kpt #: 225 total cpu time spent up to now is 511.4 secs Computing kpt #: 226 total cpu time spent up to now is 512.5 secs Computing kpt #: 227 total cpu time spent up to now is 513.5 secs Computing kpt #: 228 total cpu time spent up to now is 514.5 secs Computing kpt #: 229 total cpu time spent up to now is 515.5 secs Computing kpt #: 230 total cpu time spent up to now is 516.6 secs Computing kpt #: 231 total cpu time spent up to now is 517.6 secs Computing kpt #: 232 total cpu time spent up to now is 518.6 secs Computing kpt #: 233 total cpu time spent up to now is 519.6 secs Computing kpt #: 234 total cpu time spent up to now is 520.6 secs Computing kpt #: 235 total cpu time spent up to now is 521.6 secs Computing kpt #: 236 total cpu time spent up to now is 522.8 secs Computing kpt #: 237 total cpu time spent up to now is 524.1 secs Computing kpt #: 238 total cpu time spent up to now is 525.2 secs Computing kpt #: 239 total cpu time spent up to now is 526.3 secs Computing kpt #: 240 total cpu time spent up to now is 527.5 secs Computing kpt #: 241 total cpu time spent up to now is 528.8 secs Computing kpt #: 242 total cpu time spent up to now is 530.1 secs Computing kpt #: 243 total cpu time spent up to now is 531.4 secs Computing kpt #: 244 total cpu time spent up to now is 532.9 secs Computing kpt #: 245 total cpu time spent up to now is 534.4 secs Computing kpt #: 246 total cpu time spent up to now is 536.0 secs Computing kpt #: 247 total cpu time spent up to now is 537.5 secs Computing kpt #: 248 total cpu time spent up to now is 539.0 secs Computing kpt #: 249 total cpu time spent up to now is 540.8 secs Computing kpt #: 250 total cpu time spent up to now is 542.5 secs Computing kpt #: 251 total cpu time spent up to now is 544.3 secs Computing kpt #: 252 total cpu time spent up to now is 546.1 secs Computing kpt #: 253 total cpu time spent up to now is 547.9 secs Computing kpt #: 254 total cpu time spent up to now is 549.8 secs Computing kpt #: 255 total cpu time spent up to now is 551.7 secs Computing kpt #: 256 total cpu time spent up to now is 553.5 secs Computing kpt #: 257 total cpu time spent up to now is 555.5 secs Computing kpt #: 258 total cpu time spent up to now is 557.6 secs Computing kpt #: 259 total cpu time spent up to now is 559.9 secs Computing kpt #: 260 total cpu time spent up to now is 562.2 secs Computing kpt #: 261 total cpu time spent up to now is 564.3 secs Computing kpt #: 262 total cpu time spent up to now is 567.0 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 570.1 secs Computing kpt #: 264 total cpu time spent up to now is 573.1 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 576.5 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 580.2 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 584.4 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 587.6 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 590.8 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 593.9 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 596.9 secs Computing kpt #: 272 total cpu time spent up to now is 598.1 secs Computing kpt #: 273 total cpu time spent up to now is 599.3 secs Computing kpt #: 274 total cpu time spent up to now is 600.6 secs Computing kpt #: 275 total cpu time spent up to now is 601.8 secs Computing kpt #: 276 total cpu time spent up to now is 603.0 secs Computing kpt #: 277 total cpu time spent up to now is 604.2 secs Computing kpt #: 278 total cpu time spent up to now is 605.4 secs Computing kpt #: 279 total cpu time spent up to now is 606.7 secs Computing kpt #: 280 total cpu time spent up to now is 607.9 secs Computing kpt #: 281 total cpu time spent up to now is 609.1 secs Computing kpt #: 282 total cpu time spent up to now is 610.3 secs Computing kpt #: 283 total cpu time spent up to now is 611.5 secs Computing kpt #: 284 total cpu time spent up to now is 612.7 secs Computing kpt #: 285 total cpu time spent up to now is 614.0 secs Computing kpt #: 286 total cpu time spent up to now is 615.2 secs Computing kpt #: 287 total cpu time spent up to now is 616.6 secs Computing kpt #: 288 total cpu time spent up to now is 617.8 secs Computing kpt #: 289 total cpu time spent up to now is 619.0 secs Computing kpt #: 290 total cpu time spent up to now is 620.2 secs Computing kpt #: 291 total cpu time spent up to now is 621.4 secs Computing kpt #: 292 total cpu time spent up to now is 622.6 secs Computing kpt #: 293 total cpu time spent up to now is 623.8 secs Computing kpt #: 294 total cpu time spent up to now is 625.0 secs Computing kpt #: 295 total cpu time spent up to now is 626.3 secs Computing kpt #: 296 total cpu time spent up to now is 627.5 secs Computing kpt #: 297 total cpu time spent up to now is 628.7 secs Computing kpt #: 298 total cpu time spent up to now is 630.1 secs Computing kpt #: 299 total cpu time spent up to now is 631.6 secs Computing kpt #: 300 total cpu time spent up to now is 632.9 secs Computing kpt #: 301 total cpu time spent up to now is 634.4 secs Computing kpt #: 302 total cpu time spent up to now is 635.7 secs Computing kpt #: 303 total cpu time spent up to now is 637.3 secs Computing kpt #: 304 total cpu time spent up to now is 638.6 secs Computing kpt #: 305 total cpu time spent up to now is 640.2 secs Computing kpt #: 306 total cpu time spent up to now is 641.6 secs Computing kpt #: 307 total cpu time spent up to now is 643.3 secs Computing kpt #: 308 total cpu time spent up to now is 645.0 secs Computing kpt #: 309 total cpu time spent up to now is 647.0 secs Computing kpt #: 310 total cpu time spent up to now is 649.0 secs Computing kpt #: 311 total cpu time spent up to now is 650.9 secs Computing kpt #: 312 total cpu time spent up to now is 653.0 secs Computing kpt #: 313 total cpu time spent up to now is 655.5 secs Computing kpt #: 314 total cpu time spent up to now is 657.5 secs Computing kpt #: 315 total cpu time spent up to now is 660.1 secs Computing kpt #: 316 total cpu time spent up to now is 662.4 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 665.5 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 668.7 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 671.9 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 675.2 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 678.3 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 681.5 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 684.7 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 687.9 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 691.0 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 694.2 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 697.4 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 700.5 secs ethr = 2.50E-11, avg # of iterations = 61.5 total cpu time spent up to now is 700.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9470 -45.9470 -22.6599 -22.6599 -22.0064 -22.0064 -22.0033 -22.0033 -14.3948 -14.3948 -6.4946 -6.4946 -5.8313 -5.8313 -5.8287 -5.8287 -0.9332 -0.9332 0.9806 0.9806 0.9818 0.9818 7.9785 7.9785 8.1952 8.1952 8.1953 8.1953 9.0047 9.0047 9.0141 9.0141 9.2390 9.2390 9.7893 9.7893 9.9385 9.9385 9.9944 9.9944 12.6800 12.6800 12.6920 12.6920 12.8318 12.8318 14.8088 14.8091 k = 0.0125-0.0000-0.0000 ( 2777 PWs) bands (ev): -45.9470 -45.9470 -22.6599 -22.6599 -22.0065 -22.0065 -22.0034 -22.0033 -14.3946 -14.3946 -6.4947 -6.4944 -5.8315 -5.8311 -5.8287 -5.8287 -0.9329 -0.9329 0.9810 0.9810 0.9820 0.9825 7.9756 7.9792 8.1908 8.1932 8.1954 8.1965 9.0027 9.0028 9.0112 9.0131 9.2374 9.2387 9.7741 9.7993 9.9250 9.9486 9.9945 9.9949 12.6809 12.6815 12.6925 12.6946 12.8320 12.8336 14.8092 14.8094 k = 0.0250-0.0001-0.0001 ( 2771 PWs) bands (ev): -45.9470 -45.9470 -22.6600 -22.6599 -22.0065 -22.0065 -22.0035 -22.0033 -14.3941 -14.3941 -6.4950 -6.4944 -5.8316 -5.8308 -5.8285 -5.8285 -0.9318 -0.9318 0.9819 0.9821 0.9831 0.9841 7.9706 7.9779 8.1824 8.1882 8.1943 8.1956 8.9968 8.9971 9.0046 9.0082 9.2337 9.2364 9.7547 9.8025 9.9105 9.9537 9.9944 9.9968 12.6820 12.6850 12.6983 12.7007 12.8342 12.8372 14.8091 14.8095 k = 0.0375-0.0001-0.0001 ( 2766 PWs) bands (ev): -45.9470 -45.9470 -22.6601 -22.6599 -22.0066 -22.0066 -22.0036 -22.0034 -14.3932 -14.3932 -6.4953 -6.4944 -5.8316 -5.8305 -5.8283 -5.8283 -0.9301 -0.9301 0.9834 0.9836 0.9854 0.9868 7.9632 7.9742 8.1702 8.1796 8.1922 8.1934 8.9872 8.9875 8.9945 8.9997 9.2281 9.2319 9.7317 9.7976 9.8973 9.9536 9.9933 9.9996 12.6826 12.6888 12.7105 12.7119 12.8385 12.8427 14.8090 14.8096 k = 0.0500-0.0001-0.0001 ( 2766 PWs) bands (ev): -45.9470 -45.9470 -22.6603 -22.6601 -22.0069 -22.0068 -22.0037 -22.0035 -14.3920 -14.3919 -6.4957 -6.4946 -5.8314 -5.8300 -5.8279 -5.8278 -0.9277 -0.9277 0.9853 0.9856 0.9887 0.9906 7.9530 7.9678 8.1546 8.1676 8.1890 8.1903 8.9738 8.9742 8.9814 8.9877 9.2205 9.2253 9.7057 9.7835 9.8865 9.9495 9.9909 10.0017 12.6835 12.6923 12.7281 12.7287 12.8451 12.8503 14.8087 14.8095 k = 0.0625-0.0002-0.0002 ( 2764 PWs) bands (ev): -45.9470 -45.9470 -22.6606 -22.6602 -22.0072 -22.0071 -22.0039 -22.0036 -14.3904 -14.3903 -6.4964 -6.4950 -5.8311 -5.8295 -5.8273 -5.8272 -0.9246 -0.9246 0.9878 0.9880 0.9931 0.9954 7.9396 7.9581 8.1361 8.1528 8.1849 8.1862 8.9569 8.9574 8.9656 8.9726 9.2109 9.2164 9.6772 9.7615 9.8778 9.9427 9.9867 10.0015 12.6850 12.6959 12.7506 12.7508 12.8544 12.8602 14.8084 14.8095 k = 0.0750-0.0002-0.0002 ( 2767 PWs) bands (ev): -45.9470 -45.9470 -22.6608 -22.6605 -22.0077 -22.0075 -22.0040 -22.0037 -14.3885 -14.3884 -6.4973 -6.4956 -5.8306 -5.8288 -5.8266 -5.8263 -0.9209 -0.9209 0.9908 0.9910 0.9984 1.0011 7.9223 7.9443 8.1160 8.1360 8.1797 8.1812 8.9369 8.9375 8.9475 8.9546 9.1992 9.2053 9.6465 9.7333 9.8696 9.9338 9.9806 9.9983 12.6876 12.6998 12.7778 12.7778 12.8666 12.8727 14.8081 14.8094 k = 0.0875-0.0002-0.0002 ( 2760 PWs) bands (ev): -45.9469 -45.9469 -22.6611 -22.6607 -22.0083 -22.0080 -22.0041 -22.0038 -14.3862 -14.3861 -6.4985 -6.4966 -5.8298 -5.8280 -5.8257 -5.8251 -0.9166 -0.9166 0.9943 0.9945 1.0047 1.0078 7.9006 7.9252 8.0954 8.1179 8.1735 8.1751 8.9141 8.9147 8.9272 8.9341 9.1854 9.1920 9.6139 9.7007 9.8608 9.9233 9.9723 9.9918 12.6913 12.7042 12.8091 12.8091 12.8820 12.8883 14.8078 14.8093 k = 0.1000-0.0003-0.0003 ( 2750 PWs) bands (ev): -45.9469 -45.9469 -22.6614 -22.6609 -22.0089 -22.0086 -22.0041 -22.0038 -14.3836 -14.3836 -6.5002 -6.4980 -5.8288 -5.8271 -5.8244 -5.8234 -0.9118 -0.9117 0.9982 0.9984 1.0119 1.0154 7.8738 7.9000 8.0755 8.0995 8.1662 8.1679 8.8892 8.8894 8.9050 8.9114 9.1696 9.1765 9.5797 9.6646 9.8508 9.9115 9.9618 9.9817 12.6959 12.7091 12.8440 12.8446 12.9010 12.9074 14.8075 14.8091 k = 0.1125-0.0003-0.0003 ( 2754 PWs) bands (ev): -45.9469 -45.9469 -22.6619 -22.6613 -22.0098 -22.0094 -22.0041 -22.0039 -14.3808 -14.3807 -6.5024 -6.4999 -5.8275 -5.8262 -5.8227 -5.8210 -0.9063 -0.9063 1.0026 1.0028 1.0200 1.0238 7.8415 7.8679 8.0573 8.0813 8.1577 8.1595 8.8622 8.8625 8.8813 8.8867 9.1519 9.1589 9.5440 9.6257 9.8393 9.8983 9.9491 9.9684 12.7014 12.7145 12.8820 12.8837 12.9238 12.9308 14.8071 14.8089 k = 0.1250-0.0003-0.0003 ( 2752 PWs) bands (ev): -45.9469 -45.9469 -22.6623 -22.6617 -22.0107 -22.0102 -22.0041 -22.0039 -14.3777 -14.3776 -6.5051 -6.5025 -5.8262 -5.8252 -5.8203 -5.8179 -0.9004 -0.9003 1.0075 1.0077 1.0289 1.0331 7.8038 7.8292 8.0408 8.0638 8.1480 8.1499 8.8333 8.8343 8.8563 8.8607 9.1323 9.1394 9.5071 9.5845 9.8264 9.8840 9.9344 9.9521 12.7075 12.7201 12.9219 12.9259 12.9510 12.9594 14.8067 14.8087 k = 0.1375-0.0004-0.0004 ( 2753 PWs) bands (ev): -45.9468 -45.9468 -22.6628 -22.6621 -22.0117 -22.0111 -22.0041 -22.0039 -14.3743 -14.3742 -6.5086 -6.5057 -5.8248 -5.8241 -5.8170 -5.8141 -0.8941 -0.8939 1.0127 1.0130 1.0385 1.0431 7.7608 7.7844 8.0257 8.0469 8.1370 8.1391 8.8031 8.8052 8.8304 8.8335 9.1112 9.1181 9.4689 9.5412 9.8121 9.8687 9.9179 9.9331 12.7141 12.7259 12.9620 12.9696 12.9838 12.9948 14.8062 14.8085 k = 0.1500-0.0004-0.0004 ( 2753 PWs) bands (ev): -45.9468 -45.9468 -22.6632 -22.6625 -22.0128 -22.0122 -22.0041 -22.0039 -14.3706 -14.3705 -6.5127 -6.5097 -5.8235 -5.8230 -5.8127 -5.8093 -0.8873 -0.8871 1.0184 1.0186 1.0488 1.0538 7.7130 7.7346 8.0116 8.0306 8.1247 8.1269 8.7720 8.7754 8.8039 8.8056 9.0886 9.0953 9.4297 9.4962 9.7965 9.8523 9.9000 9.9120 12.7209 12.7319 13.0015 13.0105 13.0259 13.0375 14.8058 14.8082 k = 0.1625-0.0005-0.0005 ( 2751 PWs) bands (ev): -45.9468 -45.9468 -22.6638 -22.6630 -22.0140 -22.0133 -22.0041 -22.0039 -14.3668 -14.3667 -6.5177 -6.5145 -5.8222 -5.8219 -5.8073 -5.8036 -0.8802 -0.8799 1.0244 1.0246 1.0598 1.0651 7.6611 7.6805 7.9979 8.0147 8.1110 8.1133 8.7403 8.7452 8.7771 8.7773 9.0647 9.0711 9.3896 9.4496 9.7798 9.8350 9.8809 9.8892 12.7278 12.7379 13.0417 13.0503 13.0755 13.0857 14.8052 14.8079 k = 0.1750-0.0005-0.0005 ( 2753 PWs) bands (ev): -45.9467 -45.9467 -22.6643 -22.6635 -22.0152 -22.0145 -22.0040 -22.0039 -14.3627 -14.3626 -6.5235 -6.5201 -5.8209 -5.8207 -5.8010 -5.7970 -0.8727 -0.8724 1.0307 1.0310 1.0714 1.0770 7.6056 7.6230 7.9843 7.9989 8.0959 8.0984 8.7083 8.7150 8.7489 8.7503 9.0398 9.0458 9.3488 9.4019 9.7620 9.8167 9.8610 9.8653 12.7347 12.7439 13.0839 13.0923 13.1281 13.1374 14.8047 14.8075 k = 0.1875-0.0005-0.0005 ( 2755 PWs) bands (ev): -45.9467 -45.9467 -22.6649 -22.6641 -22.0165 -22.0157 -22.0040 -22.0038 -14.3585 -14.3584 -6.5301 -6.5267 -5.8196 -5.8194 -5.7935 -5.7893 -0.8650 -0.8646 1.0373 1.0376 1.0835 1.0894 7.5472 7.5627 7.9705 7.9830 8.0794 8.0820 8.6762 8.6849 8.7207 8.7237 9.0142 9.0197 9.3075 9.3534 9.7434 9.7974 9.8405 9.8409 12.7415 12.7499 13.1286 13.1371 13.1828 13.1914 14.8041 14.8071 k = 0.2000-0.0006-0.0006 ( 2750 PWs) bands (ev): -45.9467 -45.9467 -22.6655 -22.6646 -22.0178 -22.0170 -22.0039 -22.0038 -14.3541 -14.3540 -6.5375 -6.5340 -5.8183 -5.8181 -5.7850 -5.7807 -0.8571 -0.8566 1.0442 1.0445 1.0961 1.1022 7.4864 7.5002 7.9562 7.9668 8.0615 8.0643 8.6443 8.6552 8.6929 8.6974 8.9880 8.9931 9.2660 9.3044 9.7241 9.7769 9.8166 9.8197 12.7483 12.7559 13.1757 13.1845 13.2389 13.2472 14.8034 14.8067 k = 0.2125-0.0006-0.0006 ( 2746 PWs) bands (ev): -45.9466 -45.9466 -22.6661 -22.6652 -22.0191 -22.0183 -22.0038 -22.0037 -14.3496 -14.3495 -6.5457 -6.5422 -5.8169 -5.8168 -5.7755 -5.7711 -0.8490 -0.8484 1.0513 1.0515 1.1090 1.1154 7.4239 7.4361 7.9414 7.9503 8.0423 8.0452 8.6129 8.6260 8.6657 8.6717 8.9615 8.9660 9.2244 9.2553 9.7042 9.7552 9.7930 9.7988 12.7549 12.7619 13.2251 13.2342 13.2960 13.3041 14.8027 14.8062 k = 0.2250-0.0006-0.0006 ( 2743 PWs) bands (ev): -45.9466 -45.9466 -22.6667 -22.6658 -22.0205 -22.0196 -22.0037 -22.0036 -14.3450 -14.3449 -6.5547 -6.5511 -5.8156 -5.8154 -5.7651 -5.7606 -0.8408 -0.8401 1.0585 1.0588 1.1222 1.1288 7.3601 7.3710 7.9261 7.9333 8.0220 8.0249 8.5821 8.5976 8.6392 8.6466 8.9350 8.9388 9.1830 9.2065 9.6839 9.7322 9.7705 9.7780 12.7614 12.7678 13.2764 13.2856 13.3538 13.3618 14.8020 14.8056 k = 0.2375-0.0007-0.0007 ( 2747 PWs) bands (ev): -45.9465 -45.9465 -22.6673 -22.6664 -22.0219 -22.0210 -22.0037 -22.0036 -14.3403 -14.3402 -6.5643 -6.5607 -5.8142 -5.8141 -5.7537 -5.7492 -0.8325 -0.8318 1.0659 1.0661 1.1357 1.1424 7.2955 7.3053 7.9101 7.9159 8.0006 8.0035 8.5521 8.5700 8.6133 8.6221 8.9087 8.9118 9.1422 9.1585 9.6634 9.7082 9.7492 9.7575 12.7679 12.7737 13.3290 13.3384 13.4119 13.4198 14.8011 14.8049 k = 0.2500-0.0007-0.0007 ( 2747 PWs) bands (ev): -45.9465 -45.9465 -22.6679 -22.6671 -22.0232 -22.0223 -22.0036 -22.0035 -14.3356 -14.3355 -6.5744 -6.5709 -5.8128 -5.8127 -5.7416 -5.7371 -0.8242 -0.8234 1.0733 1.0736 1.1492 1.1561 7.2307 7.2394 7.8936 7.8981 7.9783 7.9812 8.5230 8.5433 8.5882 8.5982 8.8829 8.8851 9.1022 9.1117 9.6427 9.6837 9.7290 9.7374 12.7742 12.7795 13.3827 13.3921 13.4699 13.4778 14.8002 14.8042 k = 0.2625-0.0007-0.0007 ( 2745 PWs) bands (ev): -45.9465 -45.9465 -22.6685 -22.6677 -22.0246 -22.0237 -22.0035 -22.0034 -14.3309 -14.3308 -6.5851 -6.5816 -5.8114 -5.8113 -5.7289 -5.7244 -0.8160 -0.8151 1.0808 1.0811 1.1629 1.1699 7.1661 7.1739 7.8766 7.8799 7.9553 7.9582 8.4950 8.5175 8.5638 8.5748 8.8577 8.8589 9.0633 9.0664 9.6221 9.6590 9.7098 9.7177 12.7804 12.7852 13.4369 13.4464 13.5277 13.5355 14.7993 14.8034 k = 0.2750-0.0008-0.0008 ( 2745 PWs) bands (ev): -45.9464 -45.9464 -22.6692 -22.6683 -22.0260 -22.0251 -22.0034 -22.0033 -14.3262 -14.3261 -6.5960 -6.5927 -5.8100 -5.8100 -5.7156 -5.7112 -0.8078 -0.8069 1.0883 1.0886 1.1765 1.1835 7.1020 7.1091 7.8591 7.8613 7.9318 7.9346 8.4680 8.4928 8.5401 8.5519 8.8332 8.8334 9.0232 9.0259 9.6017 9.6345 9.6914 9.6987 12.7865 12.7909 13.4913 13.5007 13.5848 13.5926 14.7982 14.8025 k = 0.2875-0.0008-0.0008 ( 2749 PWs) bands (ev): -45.9464 -45.9464 -22.6698 -22.6690 -22.0273 -22.0264 -22.0033 -22.0033 -14.3215 -14.3214 -6.6073 -6.6041 -5.8087 -5.8086 -5.7019 -5.6976 -0.7998 -0.7988 1.0957 1.0960 1.1900 1.1970 7.0390 7.0454 7.8414 7.8426 7.9080 7.9107 8.4423 8.4691 8.5170 8.5293 8.8088 8.8098 8.9824 8.9901 9.5817 9.6106 9.6737 9.6803 12.7924 12.7965 13.5454 13.5547 13.6409 13.6487 14.7970 14.8015 k = 0.3000-0.0008-0.0008 ( 2749 PWs) bands (ev): -45.9463 -45.9463 -22.6704 -22.6696 -22.0286 -22.0277 -22.0033 -22.0032 -14.3170 -14.3168 -6.6186 -6.6155 -5.8073 -5.8073 -5.6879 -5.6837 -0.7919 -0.7909 1.1030 1.1033 1.2033 1.2103 6.9775 6.9832 7.8234 7.8239 7.8843 7.8868 8.4178 8.4465 8.4945 8.5069 8.7851 8.7874 8.9444 8.9562 9.5621 9.5875 9.6568 9.6627 12.7982 12.8019 13.5988 13.6079 13.6958 13.7035 14.7958 14.8004 k = 0.3125-0.0009-0.0009 ( 2751 PWs) bands (ev): -45.9463 -45.9463 -22.6710 -22.6702 -22.0299 -22.0290 -22.0032 -22.0031 -14.3125 -14.3124 -6.6300 -6.6270 -5.8060 -5.8060 -5.6739 -5.6698 -0.7843 -0.7832 1.1102 1.1105 1.2163 1.2232 6.9177 6.9229 7.8052 7.8055 7.8607 7.8630 8.3945 8.4249 8.4725 8.4846 8.7624 8.7661 8.9094 8.9244 9.5431 9.5652 9.6406 9.6459 12.8038 12.8072 13.6512 13.6600 13.7491 13.7568 14.7945 14.7991 k = 0.3250-0.0009-0.0009 ( 2754 PWs) bands (ev): -45.9463 -45.9463 -22.6716 -22.6708 -22.0311 -22.0303 -22.0031 -22.0031 -14.3081 -14.3080 -6.6412 -6.6384 -5.8048 -5.8047 -5.6599 -5.6560 -0.7770 -0.7758 1.1172 1.1174 1.2290 1.2358 6.8601 6.8648 7.7868 7.7877 7.8376 7.8397 8.3724 8.4043 8.4512 8.4625 8.7409 8.7461 8.8777 8.8950 9.5249 9.5440 9.6253 9.6299 12.8092 12.8123 13.7021 13.7107 13.8007 13.8083 14.7931 14.7978 k = 0.3375-0.0009-0.0009 ( 2754 PWs) bands (ev): -45.9462 -45.9462 -22.6721 -22.6714 -22.0323 -22.0315 -22.0031 -22.0030 -14.3040 -14.3039 -6.6522 -6.6496 -5.8036 -5.8035 -5.6460 -5.6423 -0.7699 -0.7688 1.1239 1.1242 1.2412 1.2478 6.8049 6.8092 7.7688 7.7702 7.8152 7.8170 8.3516 8.3847 8.4305 8.4407 8.7207 8.7273 8.8493 8.8680 9.5074 9.5238 9.6108 9.6148 12.8144 12.8172 13.7513 13.7596 13.8502 13.8576 14.7916 14.7963 k = 0.3500-0.0010-0.0010 ( 2756 PWs) bands (ev): -45.9462 -45.9462 -22.6727 -22.6720 -22.0334 -22.0327 -22.0030 -22.0030 -14.3000 -14.2999 -6.6629 -6.6605 -5.8024 -5.8024 -5.6325 -5.6291 -0.7632 -0.7621 1.1304 1.1306 1.2529 1.2593 6.7526 6.7564 7.7515 7.7531 7.7937 7.7951 8.3321 8.3661 8.4107 8.4191 8.7018 8.7097 8.8243 8.8434 9.4909 9.5049 9.5972 9.6007 12.8193 12.8219 13.7984 13.8062 13.8973 13.9046 14.7900 14.7948 k = 0.3625-0.0010-0.0010 ( 2756 PWs) bands (ev): -45.9462 -45.9462 -22.6731 -22.6725 -22.0345 -22.0337 -22.0029 -22.0029 -14.2962 -14.2961 -6.6731 -6.6709 -5.8013 -5.8013 -5.6195 -5.6163 -0.7569 -0.7558 1.1365 1.1367 1.2640 1.2701 6.7033 6.7068 7.7348 7.7367 7.7732 7.7743 8.3140 8.3485 8.3917 8.3982 8.6842 8.6933 8.8026 8.8214 9.4753 9.4873 9.5845 9.5875 12.8240 12.8263 13.8430 13.8504 13.9419 13.9490 14.7884 14.7931 k = 0.3750-0.0010-0.0010 ( 2762 PWs) bands (ev): -45.9461 -45.9461 -22.6736 -22.6730 -22.0355 -22.0348 -22.0029 -22.0028 -14.2927 -14.2926 -6.6828 -6.6807 -5.8003 -5.8003 -5.6071 -5.6041 -0.7510 -0.7499 1.1422 1.1424 1.2745 1.2802 6.6574 6.6606 7.7191 7.7211 7.7540 7.7548 8.2972 8.3317 8.3737 8.3780 8.6682 8.6781 8.7840 8.8019 9.4609 9.4710 9.5728 9.5754 12.8283 12.8304 13.8849 13.8919 13.9836 13.9905 14.7867 14.7913 k = 0.3875-0.0011-0.0011 ( 2763 PWs) bands (ev): -45.9461 -45.9461 -22.6741 -22.6735 -22.0363 -22.0357 -22.0028 -22.0028 -14.2894 -14.2893 -6.6918 -6.6899 -5.7994 -5.7994 -5.5954 -5.5927 -0.7455 -0.7445 1.1475 1.1477 1.2842 1.2895 6.6152 6.6180 7.7044 7.7064 7.7362 7.7366 8.2818 8.3158 8.3570 8.3591 8.6538 8.6641 8.7681 8.7847 9.4476 9.4560 9.5620 9.5643 12.8324 12.8343 13.9238 13.9302 14.0224 14.0289 14.7850 14.7895 k = 0.4000-0.0011-0.0011 ( 2757 PWs) bands (ev): -45.9461 -45.9461 -22.6744 -22.6739 -22.0371 -22.0365 -22.0028 -22.0027 -14.2864 -14.2863 -6.7001 -6.6984 -5.7985 -5.7985 -5.5846 -5.5822 -0.7406 -0.7396 1.1524 1.1526 1.2931 1.2980 6.5767 6.5792 7.6909 7.6928 7.7198 7.7200 8.2680 8.3007 8.3416 8.3418 8.6410 8.6514 8.7548 8.7698 9.4355 9.4425 9.5524 9.5543 12.8361 12.8378 13.9595 13.9653 14.0578 14.0639 14.7833 14.7876 k = 0.4125-0.0012-0.0011 ( 2758 PWs) bands (ev): -45.9461 -45.9461 -22.6747 -22.6743 -22.0378 -22.0373 -22.0027 -22.0027 -14.2837 -14.2836 -6.7076 -6.7061 -5.7978 -5.7978 -5.5748 -5.5726 -0.7361 -0.7352 1.1568 1.1570 1.3012 1.3056 6.5424 6.5445 7.6787 7.6804 7.7051 7.7052 8.2558 8.2864 8.3264 8.3276 8.6298 8.6399 8.7438 8.7570 9.4248 9.4305 9.5438 9.5454 12.8395 12.8409 13.9915 13.9967 14.0898 14.0954 14.7817 14.7857 k = 0.4250-0.0012-0.0012 ( 2756 PWs) bands (ev): -45.9460 -45.9460 -22.6750 -22.6746 -22.0384 -22.0380 -22.0027 -22.0026 -14.2813 -14.2813 -6.7142 -6.7129 -5.7971 -5.7971 -5.5660 -5.5641 -0.7322 -0.7314 1.1607 1.1608 1.3084 1.3122 6.5122 6.5141 7.6680 7.6694 7.6920 7.6923 8.2452 8.2729 8.3131 8.3152 8.6204 8.6297 8.7349 8.7462 9.4154 9.4200 9.5363 9.5377 12.8424 12.8436 14.0199 14.0244 14.1181 14.1231 14.7802 14.7838 k = 0.4375-0.0012-0.0012 ( 2756 PWs) bands (ev): -45.9460 -45.9460 -22.6753 -22.6749 -22.0390 -22.0386 -22.0026 -22.0026 -14.2793 -14.2793 -6.7199 -6.7188 -5.7965 -5.7965 -5.5584 -5.5569 -0.7288 -0.7281 1.1640 1.1641 1.3146 1.3178 6.4865 6.4880 7.6587 7.6599 7.6808 7.6812 8.2365 8.2606 8.3020 8.3046 8.6126 8.6209 8.7278 8.7372 9.4073 9.4110 9.5300 9.5311 12.8450 12.8460 14.0443 14.0481 14.1425 14.1469 14.7788 14.7820 k = 0.4500-0.0013-0.0013 ( 2756 PWs) bands (ev): -45.9460 -45.9460 -22.6755 -22.6752 -22.0394 -22.0391 -22.0026 -22.0026 -14.2776 -14.2776 -6.7246 -6.7237 -5.7960 -5.7960 -5.5521 -5.5508 -0.7260 -0.7255 1.1668 1.1669 1.3198 1.3224 6.4653 6.4665 7.6510 7.6519 7.6715 7.6720 8.2297 8.2495 8.2931 8.2956 8.6064 8.6134 8.7224 8.7299 9.4008 9.4036 9.5248 9.5256 12.8471 12.8479 14.0646 14.0677 14.1629 14.1665 14.7777 14.7803 k = 0.4625-0.0013-0.0013 ( 2754 PWs) bands (ev): -45.9460 -45.9460 -22.6756 -22.6754 -22.0397 -22.0394 -22.0026 -22.0026 -14.2763 -14.2763 -6.7283 -6.7276 -5.7957 -5.7957 -5.5470 -5.5461 -0.7238 -0.7234 1.1690 1.1690 1.3239 1.3259 6.4487 6.4496 7.6450 7.6456 7.6643 7.6648 8.2248 8.2400 8.2864 8.2885 8.6019 8.6074 8.7185 8.7241 9.3957 9.3977 9.5207 9.5214 12.8488 12.8494 14.0806 14.0829 14.1790 14.1818 14.7768 14.7789 k = 0.4750-0.0013-0.0013 ( 2752 PWs) bands (ev): -45.9460 -45.9460 -22.6757 -22.6755 -22.0399 -22.0397 -22.0026 -22.0026 -14.2753 -14.2753 -6.7309 -6.7305 -5.7954 -5.7954 -5.5434 -5.5427 -0.7222 -0.7219 1.1705 1.1706 1.3270 1.3284 6.4368 6.4374 7.6406 7.6410 7.6592 7.6595 8.2221 8.2323 8.2818 8.2833 8.5990 8.6027 8.7160 8.7198 9.3921 9.3935 9.5179 9.5183 12.8500 12.8504 14.0922 14.0938 14.1908 14.1927 14.7763 14.7777 k = 0.4875-0.0014-0.0014 ( 2754 PWs) bands (ev): -45.9460 -45.9460 -22.6757 -22.6757 -22.0400 -22.0399 -22.0026 -22.0026 -14.2748 -14.2748 -6.7324 -6.7322 -5.7952 -5.7952 -5.5411 -5.5407 -0.7212 -0.7211 1.1715 1.1715 1.3290 1.3297 6.4297 6.4300 7.6380 7.6382 7.6561 7.6563 8.2214 8.2266 8.2792 8.2800 8.5977 8.5996 8.7150 8.7168 9.3901 9.3908 9.5162 9.5164 12.8508 12.8510 14.0994 14.1002 14.1981 14.1991 14.7761 14.7768 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9460 -45.9460 -22.6757 -22.6757 -22.0400 -22.0400 -22.0025 -22.0025 -14.2746 -14.2746 -6.7329 -6.7329 -5.7952 -5.7952 -5.5402 -5.5402 -0.7208 -0.7208 1.1718 1.1718 1.3299 1.3299 6.4275 6.4275 7.6372 7.6372 7.6552 7.6552 8.2229 8.2229 8.2786 8.2786 8.5979 8.5979 8.7153 8.7153 9.3897 9.3897 9.5157 9.5157 12.8512 12.8512 14.1020 14.1020 14.2009 14.2009 14.7762 14.7762 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9460 -45.9460 -22.6757 -22.6757 -22.0400 -22.0400 -22.0025 -22.0025 -14.2746 -14.2746 -6.7329 -6.7329 -5.7952 -5.7952 -5.5402 -5.5402 -0.7208 -0.7208 1.1718 1.1718 1.3299 1.3299 6.4275 6.4275 7.6372 7.6372 7.6552 7.6552 8.2229 8.2229 8.2786 8.2786 8.5979 8.5979 8.7153 8.7153 9.3897 9.3897 9.5157 9.5157 12.8512 12.8512 14.1020 14.1020 14.2009 14.2009 14.7762 14.7762 k = 0.5000 0.0075-0.0103 ( 2752 PWs) bands (ev): -45.9460 -45.9460 -22.6758 -22.6757 -22.0401 -22.0400 -22.0027 -22.0025 -14.2745 -14.2745 -6.7322 -6.7320 -5.7952 -5.7948 -5.5407 -5.5404 -0.7226 -0.7194 1.1690 1.1745 1.3285 1.3301 6.4269 6.4275 7.6323 7.6387 7.6534 7.6594 8.2032 8.2289 8.2566 8.2861 8.5912 8.6211 8.7050 8.7378 9.3733 9.3886 9.5130 9.5290 12.8510 12.8533 14.1012 14.1025 14.2004 14.2015 14.7795 14.7805 k = 0.5000 0.0164-0.0192 ( 2752 PWs) bands (ev): -45.9460 -45.9460 -22.6759 -22.6757 -22.0401 -22.0400 -22.0028 -22.0026 -14.2741 -14.2741 -6.7301 -6.7296 -5.7950 -5.7943 -5.5420 -5.5414 -0.7247 -0.7183 1.1661 1.1770 1.3257 1.3289 6.4257 6.4269 7.6258 7.6350 7.6557 7.6641 8.1707 8.2163 8.2271 8.2818 8.6018 8.6543 8.7100 8.7697 9.3459 9.3699 9.5212 9.5468 12.8529 12.8575 14.1000 14.1024 14.2001 14.2022 14.7902 14.7923 k = 0.5000 0.0252-0.0281 ( 2750 PWs) bands (ev): -45.9460 -45.9460 -22.6760 -22.6758 -22.0402 -22.0400 -22.0031 -22.0027 -14.2735 -14.2735 -6.7264 -6.7257 -5.7945 -5.7934 -5.5439 -5.5431 -0.7271 -0.7176 1.1629 1.1792 1.3217 1.3265 6.4241 6.4259 7.6182 7.6285 7.6597 7.6686 8.1280 8.1696 8.2126 8.2692 8.6256 8.6872 8.7344 8.8081 9.3121 9.3398 9.5343 9.5643 12.8570 12.8638 14.0985 14.1020 14.1999 14.2030 14.8082 14.8113 k = 0.5000 0.0341-0.0370 ( 2750 PWs) bands (ev): -45.9460 -45.9460 -22.6762 -22.6759 -22.0404 -22.0400 -22.0034 -22.0029 -14.2727 -14.2727 -6.7212 -6.7202 -5.7937 -5.7923 -5.5466 -5.5455 -0.7299 -0.7173 1.1595 1.1812 1.3165 1.3229 6.4219 6.4243 7.6094 7.6204 7.6639 7.6729 8.0780 8.1139 8.1951 8.2512 8.6581 8.7166 8.7757 8.8508 9.2741 9.3034 9.5473 9.5796 12.8634 12.8723 14.0969 14.1013 14.1999 14.2038 14.8332 14.8373 k = 0.5000 0.0430-0.0459 ( 2746 PWs) bands (ev): -45.9459 -45.9459 -22.6764 -22.6760 -22.0405 -22.0401 -22.0038 -22.0032 -14.2717 -14.2717 -6.7145 -6.7133 -5.7927 -5.7909 -5.5500 -5.5485 -0.7331 -0.7174 1.1556 1.1826 1.3103 1.3182 6.4193 6.4222 7.5991 7.6110 7.6680 7.6767 8.0232 8.0541 8.1753 8.2301 8.6960 8.7477 8.8242 8.8958 9.2333 9.2632 9.5582 9.5915 12.8725 12.8833 14.0955 14.1005 14.2002 14.2046 14.8649 14.8699 k = 0.5000 0.0519-0.0548 ( 2746 PWs) bands (ev): -45.9459 -45.9459 -22.6767 -22.6762 -22.0406 -22.0402 -22.0044 -22.0036 -14.2704 -14.2704 -6.7063 -6.7049 -5.7914 -5.7892 -5.5540 -5.5523 -0.7368 -0.7180 1.1512 1.1833 1.3033 1.3125 6.4162 6.4197 7.5871 7.6001 7.6717 7.6801 7.9655 7.9925 8.1544 8.2077 8.7374 8.7824 8.8745 8.9415 9.1905 9.2208 9.5659 9.5997 12.8843 12.8969 14.0943 14.0997 14.2006 14.2055 14.9029 14.9087 k = 0.5000 0.0608-0.0637 ( 2746 PWs) bands (ev): -45.9459 -45.9459 -22.6770 -22.6764 -22.0408 -22.0403 -22.0049 -22.0040 -14.2690 -14.2689 -6.6966 -6.6950 -5.7899 -5.7873 -5.5585 -5.5566 -0.7409 -0.7191 1.1460 1.1829 1.2958 1.3061 6.4127 6.4167 7.5726 7.5871 7.6748 7.6828 7.9065 7.9310 8.1335 8.1849 8.7810 8.8203 8.9242 8.9863 9.1470 9.1780 9.5699 9.6039 12.8991 12.9134 14.0935 14.0992 14.2014 14.2065 14.9467 14.9532 k = 0.5000 0.0696-0.0726 ( 2750 PWs) bands (ev): -45.9459 -45.9459 -22.6774 -22.6767 -22.0411 -22.0404 -22.0056 -22.0046 -14.2673 -14.2673 -6.6855 -6.6837 -5.7881 -5.7852 -5.5637 -5.5614 -0.7457 -0.7209 1.1398 1.1810 1.2881 1.2990 6.4089 6.4134 7.5551 7.5714 7.6772 7.6847 7.8481 7.8714 8.1130 8.1627 8.8258 8.8605 8.9707 9.0261 9.1053 9.1388 9.5703 9.6040 12.9172 12.9329 14.0932 14.0990 14.2025 14.2078 14.9958 15.0030 k = 0.5000 0.0785-0.0815 ( 2750 PWs) bands (ev): -45.9459 -45.9459 -22.6777 -22.6770 -22.0413 -22.0406 -22.0063 -22.0052 -14.2654 -14.2654 -6.6730 -6.6710 -5.7860 -5.7828 -5.5693 -5.5668 -0.7510 -0.7233 1.1325 1.1770 1.2808 1.2913 6.4048 6.4097 7.5336 7.5518 7.6786 7.6855 7.7921 7.8153 8.0935 8.1415 8.8704 8.9010 9.0044 9.0423 9.0777 9.1217 9.5670 9.6003 12.9387 12.9556 14.0935 14.0994 14.2040 14.2094 15.0498 15.0576 k = 0.5000 0.0874-0.0904 ( 2748 PWs) bands (ev): -45.9458 -45.9458 -22.6781 -22.6773 -22.0415 -22.0407 -22.0071 -22.0058 -14.2633 -14.2633 -6.6591 -6.6568 -5.7837 -5.7801 -5.5753 -5.5725 -0.7570 -0.7265 1.1237 1.1705 1.2741 1.2834 6.4005 6.4058 7.5070 7.5266 7.6789 7.6850 7.7413 7.7644 8.0751 8.1216 8.9105 8.9333 9.0018 9.0205 9.0941 9.1466 9.5603 9.5929 12.9637 12.9817 14.0945 14.1003 14.2061 14.2115 15.1082 15.1165 k = 0.5000 0.0963-0.0993 ( 2742 PWs) bands (ev): -45.9458 -45.9458 -22.6786 -22.6776 -22.0418 -22.0409 -22.0079 -22.0065 -14.2610 -14.2610 -6.6438 -6.6413 -5.7811 -5.7773 -5.5816 -5.5787 -0.7638 -0.7305 1.1133 1.1610 1.2684 1.2753 6.3961 6.4017 7.4744 7.4942 7.6775 7.6814 7.6995 7.7199 8.0580 8.1031 8.9215 8.9277 9.0104 9.0162 9.1336 9.1856 9.5506 9.5823 12.9922 13.0111 14.0962 14.1019 14.2088 14.2141 15.1706 15.1793 k = 0.5000 0.1052-0.1082 ( 2742 PWs) bands (ev): -45.9458 -45.9458 -22.6790 -22.6780 -22.0420 -22.0411 -22.0088 -22.0074 -14.2585 -14.2585 -6.6271 -6.6245 -5.7784 -5.7742 -5.5883 -5.5851 -0.7714 -0.7354 1.1011 1.1487 1.2634 1.2673 6.3916 6.3975 7.4358 7.4543 7.6583 7.6749 7.6812 7.6843 8.0424 8.0862 8.8831 8.8971 9.0414 9.0573 9.1763 9.2264 9.5383 9.5688 13.0242 13.0438 14.0988 14.1043 14.2121 14.2173 15.2365 15.2456 k = 0.5000 0.1140-0.1171 ( 2742 PWs) bands (ev): -45.9457 -45.9457 -22.6796 -22.6785 -22.0423 -22.0414 -22.0098 -22.0082 -14.2559 -14.2558 -6.6092 -6.6063 -5.7754 -5.7709 -5.5952 -5.5917 -0.7798 -0.7413 1.0871 1.1335 1.2575 1.2608 6.3870 6.3931 7.3925 7.4083 7.6307 7.6501 7.6708 7.6773 8.0281 8.0708 8.8378 8.8531 9.0865 9.1039 9.2188 9.2668 9.5241 9.5532 13.0597 13.0798 14.1022 14.1075 14.2162 14.2213 15.3056 15.3150 k = 0.5000 0.1229-0.1260 ( 2740 PWs) bands (ev): -45.9457 -45.9457 -22.6801 -22.6789 -22.0426 -22.0416 -22.0109 -22.0092 -14.2530 -14.2530 -6.5900 -6.5869 -5.7721 -5.7674 -5.6022 -5.5986 -0.7891 -0.7481 1.0712 1.1159 1.2492 1.2565 6.3825 6.3887 7.3461 7.3588 7.6074 7.6232 7.6641 7.6700 8.0151 8.0568 8.7912 8.8059 9.1349 9.1522 9.2601 9.3060 9.5087 9.5360 13.0983 13.1189 14.1065 14.1115 14.2212 14.2261 15.3776 15.3872 k = 0.5000 0.1318-0.1349 ( 2744 PWs) bands (ev): -45.9456 -45.9456 -22.6807 -22.6795 -22.0430 -22.0419 -22.0120 -22.0102 -14.2501 -14.2500 -6.5696 -6.5664 -5.7687 -5.7637 -5.6093 -5.6054 -0.7994 -0.7559 1.0534 1.0962 1.2402 1.2524 6.3780 6.3843 7.2985 7.3082 7.5870 7.5995 7.6553 7.6608 8.0033 8.0442 8.7446 8.7581 9.1843 9.2012 9.3000 9.3437 9.4930 9.5181 13.1401 13.1608 14.1118 14.1166 14.2270 14.2318 15.4519 15.4617 k = 0.5000 0.1407-0.1439 ( 2744 PWs) bands (ev): -45.9456 -45.9456 -22.6813 -22.6800 -22.0433 -22.0422 -22.0131 -22.0112 -14.2469 -14.2469 -6.5480 -6.5446 -5.7651 -5.7598 -5.6163 -5.6123 -0.8106 -0.7649 1.0338 1.0746 1.2305 1.2477 6.3737 6.3799 7.2513 7.2583 7.5682 7.5778 7.6443 7.6495 7.9925 8.0328 8.6985 8.7105 9.2339 9.2505 9.3384 9.3789 9.4787 9.5005 13.1846 13.2055 14.1181 14.1226 14.2338 14.2385 15.5284 15.5383 k = 0.5000 0.1495-0.1528 ( 2744 PWs) bands (ev): -45.9456 -45.9456 -22.6819 -22.6806 -22.0436 -22.0424 -22.0143 -22.0123 -14.2437 -14.2436 -6.5252 -6.5217 -5.7613 -5.7558 -5.6233 -5.6191 -0.8228 -0.7749 1.0127 1.0515 1.2199 1.2420 6.3696 6.3756 7.2059 7.2104 7.5499 7.5573 7.6309 7.6360 7.9825 8.0224 8.6531 8.6634 9.2832 9.2997 9.3747 9.4087 9.4690 9.4850 13.2317 13.2526 14.1255 14.1297 14.2416 14.2461 15.6067 15.6166 k = 0.5000 0.1584-0.1617 ( 2750 PWs) bands (ev): -45.9455 -45.9455 -22.6826 -22.6812 -22.0440 -22.0428 -22.0156 -22.0135 -14.2403 -14.2402 -6.5014 -6.4977 -5.7573 -5.7516 -5.6302 -5.6258 -0.8360 -0.7860 0.9900 1.0270 1.2082 1.2350 6.3656 6.3713 7.1630 7.1654 7.5311 7.5374 7.6152 7.6204 7.9731 8.0129 8.6087 8.6172 9.3320 9.3485 9.4061 9.4249 9.4660 9.4822 13.2810 13.3019 14.1339 14.1378 14.2503 14.2547 15.6864 15.6964 k = 0.5000 0.1673-0.1706 ( 2750 PWs) bands (ev): -45.9455 -45.9455 -22.6832 -22.6818 -22.0444 -22.0431 -22.0168 -22.0147 -14.2367 -14.2367 -6.4766 -6.4728 -5.7531 -5.7472 -5.6368 -5.6323 -0.8502 -0.7983 0.9660 1.0014 1.1952 1.2263 6.3617 6.3671 7.1230 7.1245 7.5113 7.5178 7.5973 7.6028 7.9642 8.0041 8.5651 8.5718 9.3794 9.3962 9.4165 9.4346 9.4686 9.5052 13.3323 13.3530 14.1434 14.1471 14.2601 14.2644 15.7674 15.7774 k = 0.5000 0.1762-0.1795 ( 2748 PWs) bands (ev): -45.9454 -45.9454 -22.6839 -22.6824 -22.0447 -22.0434 -22.0181 -22.0159 -14.2331 -14.2331 -6.4508 -6.4469 -5.7488 -5.7427 -5.6431 -5.6385 -0.8654 -0.8117 0.9409 0.9747 1.1807 1.2158 6.3581 6.3629 7.0858 7.0888 7.4900 7.4979 7.5774 7.5834 7.9557 7.9959 8.5226 8.5273 9.4088 9.4239 9.4366 9.4443 9.4939 9.5357 13.3853 13.4057 14.1540 14.1575 14.2708 14.2750 15.8493 15.8592 k = 0.5000 0.1851-0.1884 ( 2748 PWs) bands (ev): -45.9454 -45.9454 -22.6846 -22.6831 -22.0451 -22.0438 -22.0195 -22.0172 -14.2294 -14.2294 -6.4242 -6.4201 -5.7444 -5.7381 -5.6491 -5.6444 -0.8815 -0.8261 0.9147 0.9471 1.1643 1.2032 6.3544 6.3587 7.0526 7.0578 7.4671 7.4770 7.5559 7.5626 7.9475 7.9882 8.4810 8.4840 9.4060 9.4248 9.4751 9.4887 9.5271 9.5679 13.4395 13.4597 14.1657 14.1690 14.2825 14.2867 15.9318 15.9416 k = 0.5000 0.1939-0.1973 ( 2746 PWs) bands (ev): -45.9453 -45.9453 -22.6853 -22.6838 -22.0455 -22.0441 -22.0208 -22.0185 -14.2256 -14.2256 -6.3967 -6.3925 -5.7398 -5.7334 -5.6547 -5.6499 -0.8986 -0.8417 0.8876 0.9188 1.1461 1.1884 6.3508 6.3544 7.0241 7.0316 7.4424 7.4545 7.5329 7.5407 7.9396 7.9810 8.4401 8.4419 9.4050 9.4222 9.5185 9.5302 9.5633 9.6008 13.4948 13.5146 14.1786 14.1817 14.2952 14.2993 16.0147 16.0244 k = 0.5000 0.2028-0.2062 ( 2746 PWs) bands (ev): -45.9453 -45.9453 -22.6861 -22.6845 -22.0459 -22.0445 -22.0222 -22.0198 -14.2218 -14.2218 -6.3684 -6.3641 -5.7352 -5.7286 -5.6598 -5.6550 -0.9166 -0.8583 0.8597 0.8899 1.1258 1.1712 6.3472 6.3500 7.0004 7.0105 7.4157 7.4299 7.5090 7.5181 7.9320 7.9743 8.3998 8.4016 9.4076 9.4230 9.5600 9.5675 9.6024 9.6342 13.5507 13.5702 14.1927 14.1955 14.3088 14.3128 16.0976 16.1072 k = 0.5000 0.2117-0.2151 ( 2754 PWs) bands (ev): -45.9452 -45.9452 -22.6868 -22.6852 -22.0463 -22.0449 -22.0237 -22.0212 -14.2179 -14.2178 -6.3395 -6.3351 -5.7304 -5.7238 -5.6644 -5.6596 -0.9355 -0.8758 0.8313 0.8604 1.1034 1.1516 6.3433 6.3455 6.9816 6.9944 7.3871 7.4033 7.4842 7.4950 7.9246 7.9680 8.3602 8.3633 9.4141 9.4279 9.5982 9.6018 9.6436 9.6685 13.6072 13.6261 14.2078 14.2105 14.3233 14.3273 16.1802 16.1897 k = 0.5000 0.2206-0.2240 ( 2746 PWs) bands (ev): -45.9452 -45.9452 -22.6875 -22.6859 -22.0466 -22.0452 -22.0250 -22.0226 -14.2139 -14.2139 -6.3099 -6.3054 -5.7256 -5.7189 -5.6683 -5.6636 -0.9552 -0.8944 0.8023 0.8305 1.0789 1.1296 6.3390 6.3409 6.9676 6.9834 7.3566 7.3747 7.4588 7.4716 7.9175 7.9620 8.3221 8.3265 9.4249 9.4371 9.6308 9.6367 9.6852 9.7037 13.6637 13.6822 14.2241 14.2265 14.3387 14.3426 16.2623 16.2717 k = 0.5000 0.2295-0.2329 ( 2746 PWs) bands (ev): -45.9451 -45.9451 -22.6883 -22.6866 -22.0470 -22.0456 -22.0265 -22.0240 -14.2099 -14.2099 -6.2798 -6.2752 -5.7208 -5.7141 -5.6717 -5.6670 -0.9757 -0.9138 0.7729 0.8003 1.0521 1.1051 6.3342 6.3360 6.9582 6.9772 7.3248 7.3446 7.4326 7.4479 7.9105 7.9563 8.2859 8.2917 9.4397 9.4505 9.6606 9.6703 9.7264 9.7396 13.7202 13.7381 14.2414 14.2437 14.3548 14.3587 16.3435 16.3528 k = 0.5000 0.2383-0.2418 ( 2744 PWs) bands (ev): -45.9450 -45.9450 -22.6891 -22.6874 -22.0474 -22.0460 -22.0279 -22.0254 -14.2059 -14.2059 -6.2492 -6.2446 -5.7161 -5.7093 -5.6743 -5.6698 -0.9968 -0.9341 0.7433 0.7699 1.0233 1.0782 6.3289 6.3308 6.9529 6.9753 7.2924 7.3139 7.4056 7.4237 7.9037 7.9508 8.2521 8.2591 9.4584 9.4679 9.6893 9.7018 9.7666 9.7759 13.7763 13.7937 14.2598 14.2619 14.3717 14.3755 16.4234 16.4326 k = 0.5000 0.2472-0.2507 ( 2736 PWs) bands (ev): -45.9450 -45.9450 -22.6898 -22.6881 -22.0478 -22.0463 -22.0293 -22.0267 -14.2019 -14.2019 -6.2183 -6.2137 -5.7114 -5.7046 -5.6762 -5.6719 -1.0186 -0.9552 0.7136 0.7395 0.9924 1.0490 6.3229 6.3252 6.9509 6.9769 7.2603 7.2835 7.3776 7.3990 7.8969 7.9454 8.2211 8.2292 9.4807 9.4890 9.7172 9.7315 9.8055 9.8120 13.8318 13.8487 14.2791 14.2810 14.3892 14.3930 16.5016 16.5107 k = 0.5000 0.2561-0.2596 ( 2736 PWs) bands (ev): -45.9449 -45.9449 -22.6905 -22.6889 -22.0482 -22.0467 -22.0307 -22.0281 -14.1979 -14.1979 -6.1871 -6.1824 -5.7069 -5.7000 -5.6772 -5.6733 -1.0409 -0.9769 0.6838 0.7090 0.9596 1.0176 6.3163 6.3190 6.9511 6.9806 7.2298 7.2549 7.3483 7.3739 7.8902 7.9400 8.1931 8.2022 9.5064 9.5137 9.7446 9.7599 9.8431 9.8475 13.8866 13.9028 14.2994 14.3011 14.4073 14.4111 16.5776 16.5867 k = 0.5000 0.2650-0.2685 ( 2738 PWs) bands (ev): -45.9449 -45.9449 -22.6913 -22.6896 -22.0486 -22.0471 -22.0321 -22.0296 -14.1940 -14.1939 -6.1557 -6.1510 -5.7026 -5.6957 -5.6773 -5.6738 -1.0637 -0.9994 0.6542 0.6786 0.9250 0.9842 6.3092 6.3121 6.9518 6.9841 7.2028 7.2300 7.3178 7.3485 7.8835 7.9345 8.1687 8.1784 9.5351 9.5414 9.7714 9.7873 9.8792 9.8821 13.9403 13.9559 14.3205 14.3220 14.4259 14.4296 16.6508 16.6601 k = 0.5000 0.2739-0.2774 ( 2746 PWs) bands (ev): -45.9448 -45.9448 -22.6921 -22.6904 -22.0490 -22.0476 -22.0335 -22.0310 -14.1900 -14.1900 -6.1242 -6.1195 -5.6987 -5.6918 -5.6765 -5.6732 -1.0869 -1.0223 0.6247 0.6484 0.8889 0.9489 6.3013 6.3045 6.9508 6.9844 7.1813 7.2115 7.2860 7.3238 7.8770 7.9291 8.1479 8.1581 9.5665 9.5719 9.7978 9.8139 9.9138 9.9156 13.9929 14.0079 14.3424 14.3437 14.4450 14.4486 16.7207 16.7303 k = 0.5000 0.2827-0.2863 ( 2748 PWs) bands (ev): -45.9448 -45.9448 -22.6928 -22.6912 -22.0494 -22.0480 -22.0349 -22.0324 -14.1861 -14.1861 -6.0927 -6.0881 -5.6952 -5.6882 -5.6749 -5.6715 -1.1104 -1.0458 0.5955 0.6186 0.8514 0.9120 6.2927 6.2959 6.9459 6.9780 7.1660 7.2026 7.2530 7.3015 7.8708 7.9237 8.1308 8.1412 9.6002 9.6048 9.8240 9.8400 9.9466 9.9479 14.0441 14.0584 14.3649 14.3661 14.4644 14.4680 16.7865 16.7966 k = 0.5000 0.2916-0.2952 ( 2744 PWs) bands (ev): -45.9447 -45.9447 -22.6936 -22.6919 -22.0497 -22.0483 -22.0362 -22.0337 -14.1823 -14.1823 -6.0613 -6.0567 -5.6921 -5.6850 -5.6725 -5.6688 -1.1341 -1.0696 0.5666 0.5891 0.8128 0.8738 6.2832 6.2865 6.9354 6.9636 7.1538 7.2057 7.2189 7.2850 7.8650 7.9185 8.1173 8.1276 9.6358 9.6397 9.8499 9.8656 9.9777 9.9789 14.0939 14.1075 14.3881 14.3891 14.4840 14.4876 16.8474 16.8583 k = 0.5000 0.3005-0.3041 ( 2738 PWs) bands (ev): -45.9446 -45.9446 -22.6942 -22.6926 -22.0501 -22.0487 -22.0375 -22.0351 -14.1785 -14.1785 -6.0301 -6.0256 -5.6892 -5.6821 -5.6693 -5.6652 -1.1579 -1.0938 0.5383 0.5601 0.7734 0.8344 6.2729 6.2761 6.9193 6.9426 7.1394 7.1834 7.2205 7.2787 7.8599 7.9140 8.1070 8.1171 9.6730 9.6763 9.8756 9.8910 10.0071 10.0086 14.1419 14.1548 14.4117 14.4126 14.5039 14.5073 16.9025 16.9146 k = 0.5000 0.3094-0.3130 ( 2742 PWs) bands (ev): -45.9446 -45.9446 -22.6950 -22.6934 -22.0504 -22.0491 -22.0388 -22.0364 -14.1748 -14.1748 -5.9992 -5.9948 -5.6863 -5.6792 -5.6656 -5.6612 -1.1817 -1.1182 0.5106 0.5316 0.7334 0.7942 6.2616 6.2647 6.8991 6.9178 7.1190 7.1475 7.2430 7.2856 7.8558 7.9104 8.0996 8.1093 9.7115 9.7141 9.9012 9.9160 10.0348 10.0368 14.1882 14.2004 14.4358 14.4365 14.5238 14.5271 16.9509 16.9644 k = 0.5000 0.3182-0.3219 ( 2740 PWs) bands (ev): -45.9445 -45.9445 -22.6956 -22.6941 -22.0508 -22.0495 -22.0401 -22.0377 -14.1713 -14.1712 -5.9687 -5.9645 -5.6832 -5.6762 -5.6615 -5.6570 -1.2055 -1.1426 0.4835 0.5038 0.6931 0.7535 6.2492 6.2522 6.8764 6.8913 7.0927 7.1110 7.2704 7.3043 7.8530 7.9081 8.0947 8.1040 9.7509 9.7530 9.9267 9.9409 10.0611 10.0634 14.2326 14.2440 14.4602 14.4607 14.5437 14.5469 16.9915 17.0070 k = 0.5000 0.3271-0.3308 ( 2740 PWs) bands (ev): -45.9445 -45.9445 -22.6963 -22.6948 -22.0511 -22.0499 -22.0413 -22.0390 -14.1678 -14.1677 -5.9387 -5.9347 -5.6799 -5.6730 -5.6571 -5.6526 -1.2290 -1.1672 0.4572 0.4768 0.6528 0.7124 6.2358 6.2386 6.8527 6.8647 7.0624 7.0745 7.3005 7.3315 7.8516 7.9074 8.0917 8.1007 9.7908 9.7924 9.9520 9.9656 10.0857 10.0884 14.2750 14.2856 14.4847 14.4852 14.5635 14.5666 17.0235 17.0414 k = 0.5000 0.3360-0.3397 ( 2744 PWs) bands (ev): -45.9444 -45.9444 -22.6970 -22.6955 -22.0515 -22.0503 -22.0425 -22.0402 -14.1644 -14.1644 -5.9094 -5.9056 -5.6763 -5.6696 -5.6527 -5.6482 -1.2522 -1.1916 0.4317 0.4505 0.6127 0.6714 6.2214 6.2239 6.8291 6.8389 7.0301 7.0380 7.3321 7.3639 7.8521 7.9086 8.0904 8.0991 9.8311 9.8322 9.9773 9.9902 10.1089 10.1119 14.3152 14.3250 14.5094 14.5097 14.5831 14.5860 17.0466 17.0673 k = 0.5000 0.3449-0.3486 ( 2744 PWs) bands (ev): -45.9444 -45.9444 -22.6976 -22.6962 -22.0518 -22.0506 -22.0436 -22.0414 -14.1611 -14.1611 -5.8807 -5.8772 -5.6724 -5.6659 -5.6482 -5.6439 -1.2751 -1.2159 0.4072 0.4252 0.5732 0.6306 6.2059 6.2082 6.8065 6.8145 6.9968 7.0020 7.3645 7.3988 7.8546 7.9120 8.0905 8.0990 9.8713 9.8719 10.0024 10.0147 10.1305 10.1339 14.3532 14.3622 14.5339 14.5343 14.6024 14.6052 17.0608 17.0844 k = 0.5000 0.3538-0.3575 ( 2734 PWs) bands (ev): -45.9443 -45.9443 -22.6981 -22.6968 -22.0520 -22.0510 -22.0446 -22.0425 -14.1580 -14.1580 -5.8529 -5.8497 -5.6683 -5.6620 -5.6437 -5.6396 -1.2974 -1.2398 0.3836 0.4008 0.5346 0.5904 6.1895 6.1916 6.7852 6.7919 6.9633 6.9668 7.3970 7.4344 7.8595 7.9175 8.0915 8.1000 9.9111 9.9115 10.0274 10.0390 10.1507 10.1544 14.3890 14.3972 14.5582 14.5588 14.6213 14.6239 17.0667 17.0933 k = 0.5000 0.3626-0.3664 ( 2744 PWs) bands (ev): -45.9443 -45.9443 -22.6987 -22.6974 -22.0524 -22.0514 -22.0456 -22.0436 -14.1550 -14.1550 -5.8261 -5.8233 -5.6640 -5.6579 -5.6393 -5.6355 -1.3190 -1.2634 0.3611 0.3774 0.4970 0.5510 6.1723 6.1741 6.7656 6.7712 6.9303 6.9326 7.4288 7.4692 7.8670 7.9254 8.0934 8.1019 9.9501 9.9506 10.0522 10.0631 10.1694 10.1735 14.4225 14.4298 14.5822 14.5830 14.6397 14.6422 17.0654 17.0948 k = 0.5000 0.3715-0.3754 ( 2746 PWs) bands (ev): -45.9443 -45.9443 -22.6993 -22.6980 -22.0527 -22.0517 -22.0466 -22.0446 -14.1522 -14.1522 -5.8004 -5.7980 -5.6595 -5.6537 -5.6350 -5.6314 -1.3399 -1.2864 0.3398 0.3552 0.4607 0.5127 6.1546 6.1561 6.7478 6.7525 6.8980 6.8996 7.4593 7.5021 7.8774 7.9355 8.0958 8.1044 9.9881 9.9889 10.0767 10.0869 10.1867 10.1911 14.4536 14.4601 14.6058 14.6067 14.6575 14.6598 17.0585 17.0904 k = 0.5000 0.3804-0.3843 ( 2744 PWs) bands (ev): -45.9442 -45.9442 -22.6998 -22.6986 -22.0529 -22.0521 -22.0474 -22.0456 -14.1495 -14.1495 -5.7757 -5.7739 -5.6550 -5.6493 -5.6308 -5.6275 -1.3599 -1.3088 0.3196 0.3341 0.4260 0.4757 6.1365 6.1378 6.7318 6.7358 6.8669 6.8682 7.4879 7.5322 7.8908 7.9477 8.0987 8.1076 10.0249 10.0261 10.1008 10.1105 10.2026 10.2074 14.4824 14.4881 14.6287 14.6297 14.6746 14.6768 17.0476 17.0814 k = 0.5000 0.3893-0.3932 ( 2748 PWs) bands (ev): -45.9442 -45.9442 -22.7003 -22.6992 -22.0532 -22.0524 -22.0483 -22.0466 -14.1470 -14.1470 -5.7524 -5.7513 -5.6505 -5.6448 -5.6267 -5.6237 -1.3788 -1.3304 0.3008 0.3142 0.3932 0.4402 6.1182 6.1193 6.7176 6.7210 6.8371 6.8384 7.5143 7.5589 7.9071 7.9619 8.1019 8.1110 10.0602 10.0618 10.1244 10.1336 10.2172 10.2224 14.5089 14.5138 14.6508 14.6519 14.6910 14.6931 17.0341 17.0694 k = 0.5000 0.3982-0.4021 ( 2752 PWs) bands (ev): -45.9442 -45.9442 -22.7007 -22.6997 -22.0535 -22.0528 -22.0490 -22.0474 -14.1446 -14.1446 -5.7305 -5.7301 -5.6460 -5.6403 -5.6227 -5.6201 -1.3967 -1.3512 0.2832 0.2956 0.3623 0.4065 6.1002 6.1011 6.7051 6.7081 6.8091 6.8104 7.5381 7.5818 7.9261 7.9776 8.1053 8.1147 10.0938 10.0958 10.1473 10.1561 10.2305 10.2362 14.5332 14.5373 14.6719 14.6731 14.7066 14.7085 17.0195 17.0558 k = 0.5000 0.4070-0.4110 ( 2752 PWs) bands (ev): -45.9441 -45.9441 -22.7011 -22.7002 -22.0537 -22.0531 -22.0496 -22.0482 -14.1425 -14.1425 -5.7107 -5.7100 -5.6417 -5.6357 -5.6189 -5.6166 -1.4133 -1.3709 0.2670 0.2783 0.3336 0.3748 6.0826 6.0833 6.6942 6.6968 6.7830 6.7843 7.5593 7.6010 7.9472 7.9944 8.1087 8.1185 10.1253 10.1278 10.1694 10.1779 10.2425 10.2487 14.5552 14.5587 14.6918 14.6930 14.7212 14.7229 17.0050 17.0417 k = 0.5000 0.4159-0.4199 ( 2752 PWs) bands (ev): -45.9441 -45.9441 -22.7015 -22.7006 -22.0539 -22.0535 -22.0502 -22.0489 -14.1405 -14.1405 -5.6931 -5.6912 -5.6377 -5.6311 -5.6152 -5.6133 -1.4286 -1.3895 0.2523 0.2625 0.3072 0.3452 6.0656 6.0662 6.6849 6.6871 6.7589 6.7602 7.5779 7.6167 7.9696 8.0118 8.1121 8.1223 10.1547 10.1576 10.1906 10.1987 10.2534 10.2601 14.5750 14.5780 14.7103 14.7116 14.7349 14.7364 16.9915 17.0281 k = 0.5000 0.4248-0.4288 ( 2748 PWs) bands (ev): -45.9441 -45.9441 -22.7018 -22.7010 -22.0542 -22.0538 -22.0506 -22.0495 -14.1387 -14.1387 -5.6775 -5.6741 -5.6339 -5.6262 -5.6118 -5.6101 -1.4423 -1.4068 0.2390 0.2480 0.2834 0.3179 6.0497 6.0501 6.6768 6.6787 6.7370 6.7383 7.5941 7.6293 7.9926 8.0290 8.1154 8.1261 10.1815 10.1848 10.2105 10.2185 10.2630 10.2704 14.5927 14.5951 14.7273 14.7285 14.7474 14.7488 16.9798 17.0158 k = 0.5000 0.4337-0.4377 ( 2746 PWs) bands (ev): -45.9441 -45.9441 -22.7021 -22.7014 -22.0544 -22.0541 -22.0510 -22.0501 -14.1371 -14.1371 -5.6641 -5.6590 -5.6303 -5.6211 -5.6086 -5.6071 -1.4545 -1.4228 0.2272 0.2350 0.2622 0.2930 6.0350 6.0353 6.6700 6.6717 6.7174 6.7187 7.6081 7.6393 8.0154 8.0456 8.1184 8.1296 10.2055 10.2092 10.2292 10.2369 10.2716 10.2798 14.6084 14.6103 14.7427 14.7438 14.7589 14.7601 16.9705 17.0051 k = 0.5000 0.4426-0.4466 ( 2742 PWs) bands (ev): -45.9440 -45.9440 -22.7023 -22.7017 -22.0545 -22.0544 -22.0513 -22.0505 -14.1357 -14.1357 -5.6531 -5.6461 -5.6268 -5.6158 -5.6057 -5.6043 -1.4651 -1.4373 0.2170 0.2235 0.2438 0.2708 6.0217 6.0219 6.6644 6.6658 6.7002 6.7014 7.6200 7.6469 8.0370 8.0610 8.1212 8.1329 10.2264 10.2305 10.2463 10.2538 10.2791 10.2881 14.6219 14.6235 14.7562 14.7571 14.7692 14.7701 16.9640 16.9963 k = 0.5000 0.4514-0.4555 ( 2754 PWs) bands (ev): -45.9440 -45.9440 -22.7025 -22.7020 -22.0548 -22.0547 -22.0517 -22.0510 -14.1345 -14.1345 -5.6445 -5.6363 -5.6226 -5.6105 -5.6031 -5.6015 -1.4739 -1.4503 0.2083 0.2135 0.2282 0.2512 6.0100 6.0101 6.6597 6.6609 6.6854 6.6864 7.6300 7.6526 8.0569 8.0747 8.1237 8.1358 10.2440 10.2485 10.2617 10.2686 10.2860 10.2956 14.6334 14.6347 14.7678 14.7685 14.7782 14.7790 16.9605 16.9892 k = 0.5000 0.4603-0.4644 ( 2762 PWs) bands (ev): -45.9440 -45.9440 -22.7027 -22.7023 -22.0550 -22.0549 -22.0519 -22.0514 -14.1335 -14.1335 -5.6381 -5.6303 -5.6171 -5.6056 -5.6007 -5.5989 -1.4809 -1.4615 0.2013 0.2051 0.2155 0.2345 6.0001 6.0002 6.6560 6.6569 6.6731 6.6740 7.6385 7.6567 8.0744 8.0863 8.1260 8.1381 10.2583 10.2630 10.2750 10.2807 10.2926 10.3022 14.6430 14.6439 14.7774 14.7779 14.7860 14.7865 16.9600 16.9833 k = 0.5000 0.4692-0.4733 ( 2780 PWs) bands (ev): -45.9440 -45.9440 -22.7029 -22.7026 -22.0552 -22.0552 -22.0521 -22.0517 -14.1327 -14.1327 -5.6334 -5.6273 -5.6112 -5.6022 -5.5979 -5.5964 -1.4861 -1.4710 0.1959 0.1983 0.2058 0.2206 5.9920 5.9921 6.6532 6.6539 6.6634 6.6640 7.6454 7.6593 8.0890 8.0958 8.1280 8.1396 10.2693 10.2741 10.2857 10.2893 10.2998 10.3079 14.6505 14.6512 14.7849 14.7852 14.7924 14.7927 16.9620 16.9781 k = 0.5000 0.4781-0.4822 ( 2792 PWs) bands (ev): -45.9440 -45.9440 -22.7031 -22.7028 -22.0554 -22.0554 -22.0522 -22.0519 -14.1321 -14.1321 -5.6300 -5.6259 -5.6064 -5.6005 -5.5948 -5.5941 -1.4893 -1.4787 0.1921 0.1932 0.1991 0.2097 5.9860 5.9861 6.6511 6.6516 6.6562 6.6567 7.6509 7.6606 8.1001 8.1030 8.1302 8.1401 10.2774 10.2815 10.2935 10.2949 10.3069 10.3125 14.6561 14.6565 14.7903 14.7904 14.7974 14.7975 16.9654 16.9732 k = 0.5000 0.4869-0.4911 ( 2800 PWs) bands (ev): -45.9440 -45.9440 -22.7031 -22.7030 -22.0556 -22.0556 -22.0523 -22.0521 -14.1317 -14.1317 -5.6277 -5.6254 -5.6030 -5.6000 -5.5925 -5.5924 -1.4905 -1.4845 0.1897 0.1900 0.1955 0.2017 5.9821 5.9822 6.6498 6.6501 6.6517 6.6519 7.6552 7.6606 8.1072 8.1078 8.1328 8.1394 10.2827 10.2854 10.2983 10.2986 10.3124 10.3154 14.6597 14.6599 14.7937 14.7938 14.8006 14.8006 16.9679 16.9694 k = 0.5000 0.4958-0.5000 ( 2800 PWs) bands (ev): -45.9440 -45.9440 -22.7031 -22.7031 -22.0556 -22.0556 -22.0523 -22.0522 -14.1315 -14.1315 -5.6262 -5.6257 -5.6010 -5.6004 -5.5914 -5.5914 -1.4898 -1.4884 0.1886 0.1886 0.1953 0.1968 5.9804 5.9804 6.6490 6.6490 6.6500 6.6500 7.6582 7.6595 8.1101 8.1101 8.1357 8.1374 10.2857 10.2864 10.3004 10.3004 10.3155 10.3162 14.6614 14.6614 14.7953 14.7953 14.8021 14.8021 16.9678 16.9678 k = 0.5028 0.4986 0.4944 ( 2800 PWs) bands (ev): -45.9440 -45.9440 -22.7031 -22.7031 -22.0556 -22.0556 -22.0523 -22.0522 -14.1315 -14.1315 -5.6262 -5.6257 -5.6010 -5.6004 -5.5914 -5.5914 -1.4898 -1.4884 0.1886 0.1886 0.1953 0.1968 5.9804 5.9804 6.6490 6.6490 6.6500 6.6500 7.6582 7.6595 8.1101 8.1101 8.1357 8.1374 10.2857 10.2864 10.3004 10.3004 10.3155 10.3162 14.6614 14.6614 14.7953 14.7953 14.8021 14.8021 16.9678 16.9678 k = 0.5000 0.4986 0.4972 ( 2800 PWs) bands (ev): -45.9440 -45.9440 -22.7031 -22.7031 -22.0556 -22.0556 -22.0522 -22.0522 -14.1315 -14.1315 -5.6259 -5.6259 -5.6006 -5.6006 -5.5914 -5.5914 -1.4892 -1.4892 0.1885 0.1885 0.1959 0.1959 5.9803 5.9803 6.6489 6.6489 6.6499 6.6499 7.6589 7.6589 8.1102 8.1102 8.1366 8.1366 10.2861 10.2861 10.3006 10.3006 10.3160 10.3160 14.6615 14.6615 14.7953 14.7953 14.8022 14.8022 16.9677 16.9677 k = 0.5000 0.4986 0.4972 ( 2800 PWs) bands (ev): -45.9440 -45.9440 -22.7031 -22.7031 -22.0556 -22.0556 -22.0522 -22.0522 -14.1315 -14.1315 -5.6259 -5.6259 -5.6006 -5.6006 -5.5914 -5.5914 -1.4892 -1.4892 0.1885 0.1885 0.1959 0.1959 5.9803 5.9803 6.6489 6.6489 6.6499 6.6499 7.6589 7.6589 8.1102 8.1102 8.1366 8.1366 10.2861 10.2861 10.3006 10.3006 10.3160 10.3160 14.6615 14.6615 14.7953 14.7953 14.8022 14.8022 16.9677 16.9677 k = 0.4926 0.4913 0.4899 ( 2800 PWs) bands (ev): -45.9440 -45.9440 -22.7031 -22.7031 -22.0556 -22.0556 -22.0522 -22.0522 -14.1316 -14.1316 -5.6266 -5.6266 -5.6013 -5.6013 -5.5916 -5.5916 -1.4882 -1.4882 0.1893 0.1893 0.1975 0.1975 5.9816 5.9816 6.6497 6.6497 6.6506 6.6507 7.6584 7.6584 8.1100 8.1101 8.1348 8.1348 10.2846 10.2846 10.2989 10.2990 10.3153 10.3153 14.6607 14.6607 14.7943 14.7944 14.8012 14.8012 16.9698 16.9703 k = 0.4853 0.4839 0.4826 ( 2800 PWs) bands (ev): -45.9440 -45.9440 -22.7030 -22.7030 -22.0555 -22.0555 -22.0521 -22.0521 -14.1320 -14.1320 -5.6288 -5.6288 -5.6030 -5.6030 -5.5922 -5.5922 -1.4852 -1.4852 0.1917 0.1917 0.2024 0.2024 5.9856 5.9856 6.6519 6.6519 6.6529 6.6530 7.6569 7.6569 8.1092 8.1094 8.1294 8.1294 10.2800 10.2800 10.2940 10.2941 10.3131 10.3131 14.6582 14.6582 14.7912 14.7915 14.7982 14.7982 16.9765 16.9785 k = 0.4779 0.4766 0.4753 ( 2800 PWs) bands (ev): -45.9440 -45.9440 -22.7029 -22.7029 -22.0554 -22.0554 -22.0520 -22.0520 -14.1325 -14.1325 -5.6327 -5.6327 -5.6057 -5.6057 -5.5932 -5.5932 -1.4803 -1.4803 0.1956 0.1956 0.2105 0.2105 5.9922 5.9922 6.6557 6.6557 6.6566 6.6568 7.6543 7.6543 8.1080 8.1082 8.1205 8.1205 10.2722 10.2722 10.2859 10.2861 10.3095 10.3095 14.6540 14.6540 14.7862 14.7866 14.7933 14.7933 16.9875 16.9892 k = 0.4706 0.4693 0.4680 ( 2800 PWs) bands (ev): -45.9440 -45.9440 -22.7027 -22.7027 -22.0552 -22.0552 -22.0518 -22.0518 -14.1333 -14.1333 -5.6387 -5.6387 -5.6088 -5.6088 -5.5946 -5.5946 -1.4734 -1.4734 0.2012 0.2012 0.2218 0.2218 6.0013 6.0013 6.6609 6.6609 6.6619 6.6621 7.6507 7.6507 8.1063 8.1066 8.1083 8.1083 10.2613 10.2613 10.2748 10.2750 10.3047 10.3047 14.6482 14.6482 14.7792 14.7798 14.7864 14.7864 17.0030 17.0052 k = 0.4632 0.4619 0.4607 ( 2764 PWs) bands (ev): -45.9440 -45.9440 -22.7024 -22.7024 -22.0549 -22.0549 -22.0514 -22.0514 -14.1342 -14.1342 -5.6469 -5.6469 -5.6122 -5.6122 -5.5964 -5.5964 -1.4647 -1.4647 0.2083 0.2083 0.2363 0.2363 6.0131 6.0131 6.6676 6.6676 6.6686 6.6690 7.6459 7.6459 8.0932 8.0932 8.1041 8.1046 10.2475 10.2475 10.2608 10.2610 10.2987 10.2987 14.6409 14.6409 14.7703 14.7709 14.7775 14.7775 17.0223 17.0252 k = 0.4559 0.4546 0.4533 ( 2734 PWs) bands (ev): -45.9440 -45.9440 -22.7020 -22.7020 -22.0544 -22.0544 -22.0510 -22.0510 -14.1354 -14.1354 -5.6573 -5.6573 -5.6157 -5.6157 -5.5986 -5.5986 -1.4542 -1.4542 0.2169 0.2169 0.2539 0.2539 6.0274 6.0274 6.6757 6.6757 6.6769 6.6773 7.6398 7.6398 8.0755 8.0755 8.1015 8.1020 10.2307 10.2308 10.2439 10.2443 10.2915 10.2915 14.6319 14.6319 14.7594 14.7602 14.7667 14.7667 17.0452 17.0487 k = 0.4485 0.4473 0.4460 ( 2734 PWs) bands (ev): -45.9440 -45.9440 -22.7017 -22.7017 -22.0541 -22.0541 -22.0507 -22.0507 -14.1368 -14.1368 -5.6700 -5.6700 -5.6193 -5.6193 -5.6012 -5.6012 -1.4421 -1.4421 0.2269 0.2270 0.2744 0.2744 6.0441 6.0441 6.6853 6.6853 6.6866 6.6871 7.6322 7.6322 8.0556 8.0556 8.0984 8.0991 10.2113 10.2113 10.2245 10.2249 10.2831 10.2831 14.6213 14.6213 14.7465 14.7475 14.7540 14.7540 17.0712 17.0752 k = 0.4412 0.4399 0.4387 ( 2743 PWs) bands (ev): -45.9441 -45.9441 -22.7014 -22.7014 -22.0537 -22.0537 -22.0504 -22.0504 -14.1385 -14.1385 -5.6847 -5.6847 -5.6230 -5.6230 -5.6041 -5.6041 -1.4283 -1.4283 0.2384 0.2385 0.2978 0.2978 6.0632 6.0632 6.6963 6.6963 6.6977 6.6983 7.6231 7.6231 8.0342 8.0342 8.0949 8.0957 10.1894 10.1894 10.2028 10.2032 10.2735 10.2735 14.6092 14.6092 14.7318 14.7329 14.7393 14.7393 17.0997 17.1043 k = 0.4338 0.4326 0.4314 ( 2743 PWs) bands (ev): -45.9441 -45.9441 -22.7011 -22.7011 -22.0533 -22.0533 -22.0500 -22.0500 -14.1403 -14.1403 -5.7013 -5.7013 -5.6269 -5.6269 -5.6074 -5.6074 -1.4131 -1.4131 0.2513 0.2514 0.3239 0.3239 6.0846 6.0846 6.7087 6.7087 6.7103 6.7109 7.6122 7.6122 8.0117 8.0117 8.0911 8.0919 10.1652 10.1652 10.1789 10.1794 10.2628 10.2628 14.5956 14.5956 14.7152 14.7165 14.7229 14.7229 17.1299 17.1351 k = 0.4265 0.4253 0.4241 ( 2743 PWs) bands (ev): -45.9441 -45.9441 -22.7006 -22.7006 -22.0528 -22.0528 -22.0495 -22.0495 -14.1423 -14.1423 -5.7195 -5.7195 -5.6311 -5.6311 -5.6110 -5.6110 -1.3965 -1.3965 0.2656 0.2656 0.3527 0.3527 6.1082 6.1082 6.7225 6.7225 6.7242 6.7249 7.5994 7.5994 7.9888 7.9888 8.0868 8.0878 10.1391 10.1391 10.1532 10.1537 10.2511 10.2511 14.5805 14.5805 14.6968 14.6982 14.7045 14.7045 17.1611 17.1670 k = 0.4191 0.4179 0.4168 ( 2743 PWs) bands (ev): -45.9442 -45.9442 -22.7002 -22.7002 -22.0523 -22.0523 -22.0490 -22.0490 -14.1446 -14.1446 -5.7393 -5.7393 -5.6355 -5.6355 -5.6150 -5.6149 -1.3787 -1.3787 0.2811 0.2811 0.3839 0.3839 6.1338 6.1338 6.7376 6.7376 6.7396 6.7404 7.5846 7.5846 7.9662 7.9662 8.0822 8.0833 10.1113 10.1113 10.1260 10.1265 10.2382 10.2382 14.5640 14.5640 14.6765 14.6780 14.6844 14.6844 17.1922 17.1985 k = 0.4118 0.4106 0.4095 ( 2743 PWs) bands (ev): -45.9442 -45.9442 -22.6997 -22.6997 -22.0517 -22.0517 -22.0485 -22.0485 -14.1470 -14.1470 -5.7604 -5.7604 -5.6401 -5.6401 -5.6192 -5.6192 -1.3598 -1.3598 0.2978 0.2979 0.4174 0.4174 6.1613 6.1613 6.7541 6.7541 6.7563 6.7572 7.5677 7.5677 7.9444 7.9444 8.0773 8.0785 10.0820 10.0820 10.0974 10.0980 10.2243 10.2243 14.5460 14.5460 14.6545 14.6562 14.6626 14.6626 17.2224 17.2291 k = 0.4044 0.4033 0.4022 ( 2743 PWs) bands (ev): -45.9442 -45.9442 -22.6992 -22.6992 -22.0511 -22.0511 -22.0479 -22.0479 -14.1497 -14.1497 -5.7827 -5.7827 -5.6449 -5.6449 -5.6237 -5.6237 -1.3399 -1.3399 0.3157 0.3157 0.4530 0.4530 6.1906 6.1906 6.7718 6.7718 6.7743 6.7752 7.5487 7.5487 7.9240 7.9240 8.0721 8.0735 10.0515 10.0515 10.0679 10.0684 10.2094 10.2094 14.5266 14.5266 14.6308 14.6326 14.6390 14.6390 17.2503 17.2575 k = 0.3971 0.3960 0.3949 ( 2743 PWs) bands (ev): -45.9443 -45.9443 -22.6986 -22.6986 -22.0505 -22.0505 -22.0473 -22.0473 -14.1525 -14.1525 -5.8061 -5.8061 -5.6500 -5.6500 -5.6284 -5.6284 -1.3192 -1.3192 0.3346 0.3347 0.4906 0.4906 6.2214 6.2214 6.7908 6.7908 6.7935 6.7946 7.5279 7.5279 7.9054 7.9054 8.0667 8.0682 10.0201 10.0201 10.0377 10.0382 10.1934 10.1934 14.5059 14.5059 14.6054 14.6073 14.6138 14.6138 17.2747 17.2821 k = 0.3897 0.3886 0.3875 ( 2746 PWs) bands (ev): -45.9443 -45.9443 -22.6980 -22.6980 -22.0498 -22.0498 -22.0466 -22.0466 -14.1556 -14.1556 -5.8304 -5.8304 -5.6553 -5.6553 -5.6334 -5.6334 -1.2978 -1.2978 0.3545 0.3546 0.5297 0.5297 6.2536 6.2536 6.8110 6.8110 6.8141 6.8152 7.5057 7.5057 7.8889 7.8889 8.0611 8.0628 9.9881 9.9881 10.0070 10.0075 10.1766 10.1766 14.4837 14.4837 14.5783 14.5803 14.5869 14.5869 17.2945 17.3020 k = 0.3824 0.3813 0.3802 ( 2746 PWs) bands (ev): -45.9444 -45.9444 -22.6974 -22.6974 -22.0490 -22.0490 -22.0459 -22.0459 -14.1588 -14.1588 -5.8555 -5.8555 -5.6607 -5.6607 -5.6387 -5.6386 -1.2758 -1.2758 0.3753 0.3754 0.5704 0.5704 6.2867 6.2867 6.8323 6.8323 6.8358 6.8371 7.4827 7.4827 7.8745 7.8745 8.0554 8.0573 9.9557 9.9557 9.9761 9.9766 10.1589 10.1589 14.4603 14.4603 14.5496 14.5518 14.5585 14.5585 17.3083 17.3159 k = 0.3750 0.3740 0.3729 ( 2740 PWs) bands (ev): -45.9444 -45.9444 -22.6967 -22.6967 -22.0483 -22.0483 -22.0452 -22.0452 -14.1622 -14.1622 -5.8811 -5.8811 -5.6664 -5.6664 -5.6441 -5.6440 -1.2534 -1.2534 0.3969 0.3970 0.6122 0.6122 6.3205 6.3205 6.8548 6.8548 6.8586 6.8601 7.4597 7.4597 7.8623 7.8623 8.0497 8.0517 9.9232 9.9232 9.9454 9.9458 10.1403 10.1403 14.4355 14.4355 14.5195 14.5218 14.5285 14.5285 17.3154 17.3228 k = 0.3676 0.3666 0.3656 ( 2728 PWs) bands (ev): -45.9444 -45.9444 -22.6959 -22.6959 -22.0474 -22.0474 -22.0444 -22.0444 -14.1659 -14.1659 -5.9073 -5.9073 -5.6721 -5.6721 -5.6496 -5.6496 -1.2307 -1.2307 0.4193 0.4193 0.6549 0.6549 6.3547 6.3547 6.8784 6.8784 6.8826 6.8842 7.4375 7.4375 7.8523 7.8523 8.0440 8.0462 9.8909 9.8909 9.9150 9.9154 10.1210 10.1210 14.4094 14.4094 14.4878 14.4903 14.4971 14.4971 17.3149 17.3220 k = 0.3603 0.3593 0.3583 ( 2725 PWs) bands (ev): -45.9445 -45.9445 -22.6952 -22.6952 -22.0465 -22.0465 -22.0435 -22.0435 -14.1697 -14.1697 -5.9337 -5.9337 -5.6780 -5.6780 -5.6553 -5.6553 -1.2078 -1.2078 0.4422 0.4423 0.6982 0.6982 6.3887 6.3887 6.9030 6.9030 6.9077 6.9094 7.4172 7.4172 7.8442 7.8442 8.0384 8.0409 9.8588 9.8588 9.8851 9.8855 10.1008 10.1008 14.3820 14.3820 14.4548 14.4574 14.4644 14.4644 17.3069 17.3140 k = 0.3529 0.3520 0.3510 ( 2734 PWs) bands (ev): -45.9446 -45.9446 -22.6945 -22.6945 -22.0457 -22.0457 -22.0427 -22.0427 -14.1736 -14.1736 -5.9604 -5.9604 -5.6839 -5.6839 -5.6612 -5.6612 -1.1849 -1.1849 0.4657 0.4658 0.7419 0.7419 6.4222 6.4222 6.9285 6.9285 6.9337 6.9356 7.3997 7.3997 7.8381 7.8381 8.0331 8.0357 9.8274 9.8274 9.8561 9.8564 10.0800 10.0800 14.3534 14.3534 14.4204 14.4231 14.4303 14.4303 17.2909 17.2969 k = 0.3456 0.3446 0.3437 ( 2728 PWs) bands (ev): -45.9446 -45.9446 -22.6936 -22.6936 -22.0447 -22.0447 -22.0418 -22.0418 -14.1778 -14.1778 -5.9872 -5.9872 -5.6900 -5.6900 -5.6671 -5.6671 -1.1620 -1.1620 0.4896 0.4897 0.7857 0.7857 6.4546 6.4546 6.9550 6.9550 6.9607 6.9627 7.3861 7.3861 7.8338 7.8338 8.0281 8.0310 9.7967 9.7967 9.8280 9.8283 10.0586 10.0586 14.3235 14.3235 14.3847 14.3875 14.3950 14.3950 17.2678 17.2732 k = 0.3382 0.3373 0.3364 ( 2740 PWs) bands (ev): -45.9447 -45.9447 -22.6929 -22.6929 -22.0438 -22.0438 -22.0410 -22.0410 -14.1821 -14.1821 -6.0140 -6.0140 -5.6960 -5.6960 -5.6731 -5.6731 -1.1393 -1.1393 0.5138 0.5139 0.8291 0.8291 6.4854 6.4854 6.9824 6.9824 6.9886 6.9908 7.3775 7.3775 7.8312 7.8312 8.0235 8.0266 9.7670 9.7670 9.8011 9.8014 10.0365 10.0365 14.2924 14.2924 14.3478 14.3507 14.3584 14.3584 17.2379 17.2426 k = 0.3309 0.3300 0.3290 ( 2737 PWs) bands (ev): -45.9447 -45.9447 -22.6920 -22.6920 -22.0428 -22.0428 -22.0400 -22.0400 -14.1866 -14.1866 -6.0406 -6.0406 -5.7021 -5.7021 -5.6792 -5.6792 -1.1169 -1.1169 0.5382 0.5383 0.8721 0.8721 6.5142 6.5142 7.0105 7.0105 7.0174 7.0197 7.3747 7.3747 7.8302 7.8302 8.0195 8.0228 9.7384 9.7384 9.7755 9.7757 10.0140 10.0140 14.2600 14.2600 14.3098 14.3128 14.3208 14.3208 17.2023 17.2062 k = 0.3235 0.3226 0.3217 ( 2737 PWs) bands (ev): -45.9448 -45.9448 -22.6912 -22.6912 -22.0418 -22.0418 -22.0391 -22.0391 -14.1912 -14.1912 -6.0669 -6.0669 -5.7082 -5.7082 -5.6853 -5.6853 -1.0950 -1.0950 0.5627 0.5628 0.9141 0.9141 6.5406 6.5406 7.0394 7.0394 7.0470 7.0495 7.3784 7.3784 7.8308 7.8308 8.0161 8.0197 9.7112 9.7112 9.7514 9.7516 9.9909 9.9909 14.2265 14.2265 14.2707 14.2738 14.2822 14.2822 17.1609 17.1641 k = 0.3162 0.3153 0.3144 ( 2743 PWs) bands (ev): -45.9449 -45.9449 -22.6903 -22.6903 -22.0409 -22.0409 -22.0381 -22.0381 -14.1960 -14.1960 -6.0929 -6.0929 -5.7143 -5.7143 -5.6915 -5.6914 -1.0735 -1.0735 0.5873 0.5874 0.9549 0.9549 6.5646 6.5646 7.0691 7.0691 7.0773 7.0800 7.3894 7.3894 7.8330 7.8330 8.0136 8.0175 9.6854 9.6854 9.7289 9.7290 9.9675 9.9675 14.1918 14.1918 14.2306 14.2339 14.2426 14.2426 17.1152 17.1172 k = 0.3088 0.3080 0.3071 ( 2743 PWs) bands (ev): -45.9449 -45.9449 -22.6894 -22.6894 -22.0398 -22.0398 -22.0371 -22.0371 -14.2010 -14.2010 -6.1185 -6.1185 -5.7203 -5.7203 -5.6976 -5.6976 -1.0526 -1.0526 0.6117 0.6118 0.9943 0.9943 6.5862 6.5862 7.0994 7.0994 7.1083 7.1112 7.4076 7.4076 7.8368 7.8368 8.0120 8.0161 9.6612 9.6612 9.7081 9.7082 9.9436 9.9436 14.1559 14.1559 14.1896 14.1930 14.2022 14.2022 17.0654 17.0659 k = 0.3015 0.3006 0.2998 ( 2737 PWs) bands (ev): -45.9450 -45.9450 -22.6885 -22.6885 -22.0387 -22.0387 -22.0360 -22.0360 -14.2061 -14.2061 -6.1435 -6.1435 -5.7263 -5.7263 -5.7037 -5.7037 -1.0324 -1.0324 0.6359 0.6360 1.0319 1.0319 6.6058 6.6058 7.1303 7.1303 7.1399 7.1431 7.4332 7.4332 7.8422 7.8422 8.0114 8.0159 9.6387 9.6387 9.6891 9.6891 9.9195 9.9195 14.1190 14.1190 14.1477 14.1512 14.1609 14.1609 17.0110 17.0113 k = 0.2941 0.2933 0.2925 ( 2737 PWs) bands (ev): -45.9451 -45.9451 -22.6875 -22.6875 -22.0377 -22.0377 -22.0350 -22.0350 -14.2113 -14.2113 -6.1679 -6.1679 -5.7322 -5.7322 -5.7097 -5.7097 -1.0130 -1.0130 0.6597 0.6599 1.0674 1.0674 6.6240 6.6240 7.1617 7.1617 7.1721 7.1755 7.4658 7.4658 7.8492 7.8492 8.0120 8.0168 9.6180 9.6180 9.6719 9.6720 9.8951 9.8951 14.0809 14.0809 14.1051 14.1087 14.1190 14.1190 16.9533 16.9533 k = 0.2868 0.2860 0.2852 ( 2743 PWs) bands (ev): -45.9451 -45.9451 -22.6866 -22.6866 -22.0366 -22.0366 -22.0340 -22.0340 -14.2167 -14.2167 -6.1917 -6.1917 -5.7380 -5.7380 -5.7158 -5.7157 -0.9944 -0.9944 0.6832 0.6833 1.1006 1.1006 6.6415 6.6415 7.1937 7.1937 7.2049 7.2085 7.5048 7.5048 7.8577 7.8577 8.0139 8.0190 9.5992 9.5992 9.6567 9.6568 9.8705 9.8705 14.0418 14.0418 14.0618 14.0655 14.0765 14.0765 16.8931 16.8933 k = 0.2794 0.2786 0.2779 ( 2743 PWs) bands (ev): -45.9452 -45.9452 -22.6856 -22.6856 -22.0355 -22.0355 -22.0329 -22.0329 -14.2222 -14.2222 -6.2147 -6.2147 -5.7436 -5.7436 -5.7217 -5.7216 -0.9768 -0.9768 0.7062 0.7063 1.1314 1.1314 6.6590 6.6590 7.2261 7.2261 7.2381 7.2420 7.5497 7.5497 7.8680 7.8680 8.0173 8.0227 9.5824 9.5824 9.6434 9.6436 9.8458 9.8458 14.0017 14.0017 14.0179 14.0217 14.0335 14.0335 16.8307 16.8307 k = 0.2721 0.2713 0.2705 ( 2743 PWs) bands (ev): -45.9453 -45.9453 -22.6847 -22.6847 -22.0344 -22.0344 -22.0318 -22.0318 -14.2278 -14.2278 -6.2369 -6.2369 -5.7492 -5.7492 -5.7275 -5.7275 -0.9601 -0.9601 0.7285 0.7287 1.1594 1.1594 6.6774 6.6774 7.2588 7.2588 7.2718 7.2759 7.5997 7.5997 7.8799 7.8799 8.0221 8.0278 9.5677 9.5677 9.6321 9.6324 9.8210 9.8210 13.9607 13.9607 13.9735 13.9774 13.9900 13.9900 16.7663 16.7663 k = 0.2647 0.2640 0.2632 ( 2746 PWs) bands (ev): -45.9453 -45.9453 -22.6837 -22.6837 -22.0332 -22.0332 -22.0307 -22.0307 -14.2335 -14.2335 -6.2582 -6.2582 -5.7545 -5.7545 -5.7332 -5.7332 -0.9446 -0.9446 0.7502 0.7503 1.1845 1.1845 6.6974 6.6974 7.2920 7.2920 7.3059 7.3103 7.6543 7.6543 7.8935 7.8935 8.0286 8.0346 9.5550 9.5550 9.6229 9.6232 9.7961 9.7961 13.9187 13.9187 13.9286 13.9326 13.9462 13.9462 16.7003 16.7003 k = 0.2574 0.2566 0.2559 ( 2740 PWs) bands (ev): -45.9454 -45.9454 -22.6827 -22.6827 -22.0321 -22.0321 -22.0296 -22.0296 -14.2393 -14.2393 -6.2787 -6.2787 -5.7598 -5.7598 -5.7388 -5.7388 -0.9301 -0.9301 0.7711 0.7712 1.2066 1.2066 6.7195 6.7195 7.3254 7.3254 7.3404 7.3451 7.7128 7.7128 7.9089 7.9089 8.0367 8.0430 9.5444 9.5444 9.6156 9.6160 9.7713 9.7713 13.8760 13.8760 13.8833 13.8874 13.9020 13.9020 16.6329 16.6329 k = 0.2500 0.2493 0.2486 ( 2752 PWs) bands (ev): -45.9455 -45.9455 -22.6817 -22.6817 -22.0310 -22.0310 -22.0285 -22.0285 -14.2452 -14.2452 -6.2982 -6.2982 -5.7648 -5.7648 -5.7443 -5.7443 -0.9167 -0.9167 0.7912 0.7913 1.2256 1.2256 6.7442 6.7442 7.3590 7.3590 7.3753 7.3802 7.7747 7.7747 7.9260 7.9260 8.0465 8.0532 9.5360 9.5360 9.6104 9.6108 9.7465 9.7465 13.8326 13.8326 13.8378 13.8420 13.8576 13.8576 16.5642 16.5642 k = 0.2426 0.2420 0.2413 ( 2740 PWs) bands (ev): -45.9455 -45.9455 -22.6807 -22.6807 -22.0298 -22.0298 -22.0273 -22.0273 -14.2511 -14.2511 -6.3167 -6.3167 -5.7697 -5.7697 -5.7496 -5.7496 -0.9046 -0.9046 0.8103 0.8105 1.2415 1.2415 6.7719 6.7719 7.3928 7.3928 7.4105 7.4157 7.8393 7.8393 7.9451 7.9451 8.0581 8.0651 9.5298 9.5298 9.6072 9.6077 9.7219 9.7219 13.7887 13.7887 13.7920 13.7963 13.8131 13.8131 16.4946 16.4946 k = 0.2353 0.2346 0.2340 ( 2740 PWs) bands (ev): -45.9456 -45.9456 -22.6797 -22.6797 -22.0287 -22.0287 -22.0262 -22.0262 -14.2572 -14.2572 -6.3343 -6.3343 -5.7744 -5.7744 -5.7548 -5.7548 -0.8936 -0.8936 0.8285 0.8287 1.2543 1.2543 6.8028 6.8028 7.4267 7.4267 7.4460 7.4515 7.9058 7.9058 7.9666 7.9666 8.0715 8.0788 9.5257 9.5257 9.6060 9.6065 9.6975 9.6975 13.7443 13.7443 13.7461 13.7505 13.7683 13.7683 16.4241 16.4241 k = 0.2279 0.2273 0.2267 ( 2737 PWs) bands (ev): -45.9457 -45.9457 -22.6787 -22.6787 -22.0276 -22.0276 -22.0251 -22.0251 -14.2633 -14.2633 -6.3508 -6.3508 -5.7789 -5.7789 -5.7598 -5.7598 -0.8839 -0.8839 0.8457 0.8459 1.2639 1.2639 6.8371 6.8371 7.4607 7.4607 7.4819 7.4875 7.9692 7.9692 7.9950 7.9950 8.0868 8.0943 9.5238 9.5238 9.6068 9.6073 9.6733 9.6733 13.6995 13.6995 13.7001 13.7045 13.7235 13.7235 16.3531 16.3531 k = 0.2206 0.2200 0.2194 ( 2737 PWs) bands (ev): -45.9458 -45.9458 -22.6777 -22.6777 -22.0264 -22.0264 -22.0240 -22.0240 -14.2694 -14.2694 -6.3663 -6.3663 -5.7831 -5.7831 -5.7646 -5.7646 -0.8754 -0.8754 0.8618 0.8620 1.2705 1.2705 6.8746 6.8746 7.4947 7.4947 7.5179 7.5238 8.0063 8.0063 8.0534 8.0534 8.1038 8.1116 9.5241 9.5241 9.6094 9.6099 9.6493 9.6493 13.6541 13.6546 13.6546 13.6586 13.6786 13.6786 16.2816 16.2819 k = 0.2132 0.2126 0.2120 ( 2743 PWs) bands (ev): -45.9458 -45.9458 -22.6768 -22.6768 -22.0254 -22.0254 -22.0229 -22.0229 -14.2756 -14.2756 -6.3808 -6.3808 -5.7872 -5.7872 -5.7693 -5.7693 -0.8682 -0.8682 0.8769 0.8771 1.2742 1.2742 6.9154 6.9154 7.5285 7.5285 7.5542 7.5603 8.0335 8.0335 8.1226 8.1249 8.1249 8.1307 9.5264 9.5264 9.6140 9.6145 9.6257 9.6257 13.6082 13.6095 13.6095 13.6128 13.6338 13.6338 16.2098 16.2098 k = 0.2059 0.2053 0.2047 ( 2737 PWs) bands (ev): -45.9459 -45.9459 -22.6758 -22.6758 -22.0242 -22.0242 -22.0217 -22.0217 -14.2818 -14.2818 -6.3943 -6.3943 -5.7911 -5.7911 -5.7738 -5.7737 -0.8621 -0.8621 0.8909 0.8910 1.2750 1.2750 6.9593 6.9593 7.5622 7.5622 7.5907 7.5970 8.0612 8.0612 8.1433 8.1516 8.1991 8.1991 9.5308 9.5308 9.6025 9.6025 9.6203 9.6208 13.5624 13.5645 13.5645 13.5670 13.5890 13.5890 16.1379 16.1379 k = 0.1985 0.1980 0.1974 ( 2749 PWs) bands (ev): -45.9460 -45.9460 -22.6749 -22.6749 -22.0232 -22.0232 -22.0207 -22.0207 -14.2879 -14.2879 -6.4068 -6.4068 -5.7947 -5.7947 -5.7781 -5.7780 -0.8573 -0.8573 0.9037 0.9039 1.2733 1.2733 7.0061 7.0061 7.5956 7.5956 7.6272 7.6336 8.0903 8.0903 8.1657 8.1741 8.2746 8.2746 9.5370 9.5370 9.5798 9.5798 9.6283 9.6288 13.5168 13.5196 13.5196 13.5215 13.5445 13.5445 16.0661 16.0661 k = 0.1912 0.1906 0.1901 ( 2749 PWs) bands (ev): -45.9460 -45.9460 -22.6739 -22.6739 -22.0221 -22.0221 -22.0196 -22.0196 -14.2941 -14.2941 -6.4183 -6.4183 -5.7982 -5.7982 -5.7822 -5.7821 -0.8537 -0.8537 0.9155 0.9157 1.2691 1.2691 7.0555 7.0555 7.6286 7.6286 7.6637 7.6703 8.1211 8.1211 8.1899 8.1984 8.3512 8.3512 9.5445 9.5445 9.5582 9.5582 9.6380 9.6385 13.4715 13.4750 13.4750 13.4762 13.5002 13.5002 15.9946 15.9946 k = 0.1838 0.1833 0.1828 ( 2737 PWs) bands (ev): -45.9461 -45.9461 -22.6729 -22.6729 -22.0210 -22.0210 -22.0185 -22.0185 -14.3002 -14.3002 -6.4287 -6.4287 -5.8014 -5.8014 -5.7861 -5.7861 -0.8512 -0.8512 0.9262 0.9263 1.2626 1.2626 7.1072 7.1072 7.6611 7.6611 7.7001 7.7067 8.1535 8.1535 8.2158 8.2245 8.4286 8.4286 9.5344 9.5344 9.5565 9.5565 9.6493 9.6498 13.4265 13.4306 13.4306 13.4313 13.4563 13.4563 15.9235 15.9238 k = 0.1765 0.1760 0.1755 ( 2731 PWs) bands (ev): -45.9462 -45.9462 -22.6720 -22.6720 -22.0200 -22.0200 -22.0174 -22.0174 -14.3063 -14.3063 -6.4383 -6.4383 -5.8045 -5.8045 -5.7898 -5.7898 -0.8497 -0.8497 0.9358 0.9359 1.2542 1.2542 7.1608 7.1608 7.6930 7.6930 7.7362 7.7429 8.1876 8.1876 8.2436 8.2522 8.5065 8.5065 9.5135 9.5135 9.5680 9.5680 9.6620 9.6625 13.3819 13.3867 13.3867 13.3867 13.4129 13.4129 15.8529 15.8529 k = 0.1691 0.1686 0.1682 ( 2731 PWs) bands (ev): -45.9462 -45.9462 -22.6711 -22.6711 -22.0190 -22.0189 -22.0164 -22.0164 -14.3123 -14.3123 -6.4469 -6.4469 -5.8073 -5.8073 -5.7933 -5.7933 -0.8494 -0.8494 0.9443 0.9445 1.2440 1.2440 7.2159 7.2159 7.7240 7.7240 7.7718 7.7785 8.2234 8.2234 8.2731 8.2817 8.5848 8.5848 9.4928 9.4928 9.5813 9.5813 9.6760 9.6765 13.3377 13.3425 13.3433 13.3433 13.3701 13.3701 15.7831 15.7831 k = 0.1618 0.1613 0.1609 ( 2731 PWs) bands (ev): -45.9463 -45.9463 -22.6702 -22.6702 -22.0180 -22.0180 -22.0154 -22.0154 -14.3183 -14.3183 -6.4546 -6.4546 -5.8099 -5.8099 -5.7967 -5.7966 -0.8499 -0.8499 0.9519 0.9520 1.2322 1.2322 7.2721 7.2721 7.7542 7.7542 7.8069 7.8134 8.2609 8.2609 8.3043 8.3128 8.6631 8.6631 9.4727 9.4727 9.5962 9.5962 9.6913 9.6917 13.2940 13.2989 13.3004 13.3004 13.3280 13.3280 15.7143 15.7150 k = 0.1544 0.1540 0.1536 ( 2731 PWs) bands (ev): -45.9463 -45.9463 -22.6694 -22.6694 -22.0170 -22.0170 -22.0144 -22.0144 -14.3241 -14.3241 -6.4614 -6.4614 -5.8123 -5.8123 -5.7998 -5.7998 -0.8514 -0.8514 0.9584 0.9586 1.2191 1.2191 7.3289 7.3289 7.7835 7.7835 7.8410 7.8475 8.2999 8.2999 8.3373 8.3457 8.7412 8.7412 9.4532 9.4532 9.6124 9.6124 9.7076 9.7080 13.2510 13.2558 13.2582 13.2582 13.2868 13.2868 15.6465 15.6465 k = 0.1471 0.1466 0.1462 ( 2737 PWs) bands (ev): -45.9464 -45.9464 -22.6686 -22.6686 -22.0161 -22.0161 -22.0135 -22.0135 -14.3299 -14.3299 -6.4674 -6.4674 -5.8146 -5.8146 -5.8028 -5.8028 -0.8538 -0.8538 0.9641 0.9642 1.2050 1.2050 7.3859 7.3859 7.8117 7.8117 7.8742 7.8804 8.3405 8.3405 8.3720 8.3802 8.8190 8.8190 9.4343 9.4343 9.6298 9.6298 9.7249 9.7252 13.2085 13.2134 13.2167 13.2167 13.2467 13.2467 15.5800 15.5800 k = 0.1397 0.1393 0.1389 ( 2743 PWs) bands (ev): -45.9465 -45.9465 -22.6678 -22.6678 -22.0152 -22.0152 -22.0126 -22.0126 -14.3355 -14.3355 -6.4727 -6.4727 -5.8166 -5.8166 -5.8056 -5.8055 -0.8568 -0.8568 0.9689 0.9690 1.1900 1.1900 7.4425 7.4425 7.8388 7.8388 7.9061 7.9121 8.3824 8.3824 8.4084 8.4162 8.8962 8.8962 9.4162 9.4162 9.6481 9.6481 9.7429 9.7432 13.1668 13.1717 13.1759 13.1759 13.2077 13.2077 15.5149 15.5155 k = 0.1324 0.1320 0.1316 ( 2743 PWs) bands (ev): -45.9465 -45.9465 -22.6670 -22.6670 -22.0144 -22.0144 -22.0117 -22.0117 -14.3409 -14.3409 -6.4772 -6.4772 -5.8185 -5.8185 -5.8081 -5.8081 -0.8605 -0.8605 0.9729 0.9730 1.1744 1.1744 7.4984 7.4984 7.8650 7.8650 7.9366 7.9423 8.4256 8.4256 8.4463 8.4538 8.9725 8.9725 9.3988 9.3988 9.6673 9.6673 9.7615 9.7617 13.1259 13.1307 13.1359 13.1359 13.1701 13.1701 15.4515 15.4517 k = 0.1250 0.1247 0.1243 ( 2737 PWs) bands (ev): -45.9466 -45.9466 -22.6662 -22.6662 -22.0135 -22.0135 -22.0108 -22.0108 -14.3462 -14.3462 -6.4811 -6.4811 -5.8202 -5.8202 -5.8106 -5.8105 -0.8648 -0.8648 0.9761 0.9763 1.1585 1.1585 7.5530 7.5530 7.8901 7.8901 7.9656 7.9709 8.4697 8.4697 8.4857 8.4927 9.0475 9.0475 9.3822 9.3822 9.6871 9.6871 9.7806 9.7807 13.0859 13.0907 13.0967 13.0967 13.1341 13.1341 15.3900 15.3909 k = 0.1176 0.1173 0.1170 ( 2725 PWs) bands (ev): -45.9466 -45.9466 -22.6655 -22.6655 -22.0126 -22.0126 -22.0099 -22.0099 -14.3513 -14.3513 -6.4844 -6.4844 -5.8217 -5.8217 -5.8128 -5.8128 -0.8696 -0.8696 0.9787 0.9788 1.1423 1.1423 7.6057 7.6057 7.9144 7.9144 7.9928 7.9979 8.5146 8.5146 8.5262 8.5328 9.1211 9.1211 9.3664 9.3664 9.7073 9.7073 9.7998 9.7999 13.0469 13.0516 13.0584 13.0584 13.0998 13.0998 15.3305 15.3311 k = 0.1103 0.1100 0.1097 ( 2734 PWs) bands (ev): -45.9466 -45.9466 -22.6648 -22.6648 -22.0119 -22.0119 -22.0092 -22.0092 -14.3562 -14.3562 -6.4871 -6.4871 -5.8231 -5.8231 -5.8149 -5.8148 -0.8747 -0.8747 0.9807 0.9808 1.1262 1.1262 7.6562 7.6562 7.9379 7.9379 8.0184 8.0230 8.5599 8.5599 8.5676 8.5737 9.1928 9.1928 9.3514 9.3514 9.7277 9.7277 9.8191 9.8191 13.0089 13.0135 13.0211 13.0211 13.0672 13.0672 15.2731 15.2731 k = 0.1029 0.1027 0.1024 ( 2746 PWs) bands (ev): -45.9467 -45.9467 -22.6643 -22.6643 -22.0113 -22.0113 -22.0085 -22.0085 -14.3608 -14.3608 -6.4892 -6.4892 -5.8244 -5.8244 -5.8168 -5.8168 -0.8800 -0.8800 0.9821 0.9822 1.1103 1.1103 7.7037 7.7037 7.9609 7.9609 8.0421 8.0463 8.6052 8.6052 8.6095 8.6152 9.2622 9.2622 9.3373 9.3373 9.7482 9.7482 9.8382 9.8382 12.9722 12.9766 12.9849 12.9849 13.0366 13.0366 15.2182 15.2185 k = 0.0956 0.0953 0.0951 ( 2749 PWs) bands (ev): -45.9467 -45.9467 -22.6637 -22.6637 -22.0106 -22.0106 -22.0078 -22.0078 -14.3652 -14.3652 -6.4910 -6.4910 -5.8255 -5.8255 -5.8185 -5.8185 -0.8856 -0.8856 0.9831 0.9832 1.0947 1.0947 7.7480 7.7480 7.9835 7.9835 8.0640 8.0678 8.6504 8.6504 8.6517 8.6569 9.3236 9.3236 9.3295 9.3295 9.7685 9.7685 9.8569 9.8570 12.9368 12.9411 12.9499 12.9499 13.0080 13.0080 15.1660 15.1673 k = 0.0882 0.0880 0.0877 ( 2743 PWs) bands (ev): -45.9468 -45.9468 -22.6631 -22.6631 -22.0100 -22.0100 -22.0071 -22.0071 -14.3694 -14.3694 -6.4923 -6.4923 -5.8265 -5.8265 -5.8201 -5.8201 -0.8912 -0.8912 0.9837 0.9838 1.0797 1.0797 7.7884 7.7884 8.0061 8.0061 8.0840 8.0875 8.6937 8.6948 8.6948 8.6984 9.3117 9.3117 9.3930 9.3930 9.7884 9.7884 9.8750 9.8752 12.9028 12.9070 12.9162 12.9162 12.9815 12.9815 15.1164 15.1164 k = 0.0809 0.0807 0.0804 ( 2749 PWs) bands (ev): -45.9468 -45.9468 -22.6626 -22.6626 -22.0094 -22.0094 -22.0065 -22.0065 -14.3733 -14.3733 -6.4933 -6.4933 -5.8274 -5.8274 -5.8215 -5.8215 -0.8968 -0.8968 0.9839 0.9840 1.0653 1.0653 7.8245 7.8245 8.0286 8.0286 8.1023 8.1054 8.7350 8.7382 8.7382 8.7392 9.3002 9.3002 9.4534 9.4534 9.8078 9.8078 9.8924 9.8926 12.8706 12.8745 12.8841 12.8841 12.9572 12.9572 15.0700 15.0709 k = 0.0735 0.0733 0.0731 ( 2749 PWs) bands (ev): -45.9468 -45.9468 -22.6621 -22.6621 -22.0089 -22.0089 -22.0059 -22.0059 -14.3769 -14.3769 -6.4940 -6.4940 -5.8281 -5.8281 -5.8228 -5.8228 -0.9022 -0.9022 0.9839 0.9840 1.0518 1.0518 7.8562 7.8562 8.0512 8.0512 8.1188 8.1215 8.7751 8.7789 8.7800 8.7800 9.2897 9.2897 9.5099 9.5099 9.8265 9.8265 9.9089 9.9091 12.8401 12.8439 12.8538 12.8538 12.9350 12.9350 15.0267 15.0268 k = 0.0662 0.0660 0.0658 ( 2755 PWs) bands (ev): -45.9469 -45.9469 -22.6617 -22.6617 -22.0085 -22.0084 -22.0054 -22.0054 -14.3802 -14.3802 -6.4945 -6.4945 -5.8288 -5.8288 -5.8240 -5.8240 -0.9075 -0.9075 0.9837 0.9838 1.0392 1.0392 7.8833 7.8833 8.0736 8.0736 8.1336 8.1360 8.8135 8.8168 8.8197 8.8197 9.2802 9.2802 9.5621 9.5621 9.8444 9.8444 9.9242 9.9245 12.8117 12.8152 12.8254 12.8254 12.9150 12.9150 14.9869 14.9869 k = 0.0588 0.0587 0.0585 ( 2773 PWs) bands (ev): -45.9469 -45.9469 -22.6614 -22.6614 -22.0080 -22.0080 -22.0051 -22.0051 -14.3832 -14.3832 -6.4948 -6.4948 -5.8294 -5.8294 -5.8250 -5.8250 -0.9124 -0.9124 0.9834 0.9834 1.0277 1.0277 7.9061 7.9061 8.0955 8.0955 8.1467 8.1487 8.8497 8.8526 8.8570 8.8570 9.2716 9.2716 9.6096 9.6096 9.8613 9.8613 9.9384 9.9386 12.7855 12.7887 12.7991 12.7991 12.8972 12.8972 14.9506 14.9509 k = 0.0515 0.0513 0.0512 ( 2767 PWs) bands (ev): -45.9469 -45.9469 -22.6610 -22.6610 -22.0076 -22.0076 -22.0047 -22.0047 -14.3859 -14.3859 -6.4949 -6.4949 -5.8299 -5.8299 -5.8259 -5.8259 -0.9170 -0.9170 0.9829 0.9830 1.0173 1.0173 7.9250 7.9251 8.1165 8.1165 8.1581 8.1599 8.8833 8.8858 8.8914 8.8914 9.2640 9.2640 9.6519 9.6519 9.8771 9.8771 9.9511 9.9514 12.7617 12.7646 12.7753 12.7753 12.8817 12.8817 14.9182 14.9182 k = 0.0441 0.0440 0.0439 ( 2767 PWs) bands (ev): -45.9470 -45.9470 -22.6607 -22.6607 -22.0073 -22.0073 -22.0043 -22.0043 -14.3882 -14.3882 -6.4949 -6.4949 -5.8303 -5.8303 -5.8267 -5.8267 -0.9211 -0.9211 0.9825 0.9825 1.0081 1.0081 7.9404 7.9404 8.1359 8.1359 8.1680 8.1694 8.9136 8.9157 8.9223 8.9223 9.2574 9.2574 9.6888 9.6888 9.8916 9.8916 9.9623 9.9626 12.7406 12.7432 12.7540 12.7540 12.8683 12.8683 14.8896 14.8899 k = 0.0368 0.0367 0.0366 ( 2761 PWs) bands (ev): -45.9470 -45.9470 -22.6604 -22.6604 -22.0070 -22.0070 -22.0039 -22.0039 -14.3902 -14.3902 -6.4949 -6.4949 -5.8306 -5.8306 -5.8273 -5.8273 -0.9247 -0.9247 0.9820 0.9820 1.0002 1.0002 7.9528 7.9528 8.1532 8.1532 8.1763 8.1775 8.9402 8.9420 8.9494 8.9494 9.2518 9.2518 9.7199 9.7199 9.9047 9.9047 9.9720 9.9722 12.7224 12.7245 12.7356 12.7356 12.8570 12.8570 14.8652 14.8653 k = 0.0294 0.0293 0.0292 ( 2767 PWs) bands (ev): -45.9470 -45.9470 -22.6602 -22.6602 -22.0068 -22.0068 -22.0037 -22.0037 -14.3919 -14.3919 -6.4948 -6.4948 -5.8309 -5.8309 -5.8278 -5.8278 -0.9277 -0.9277 0.9815 0.9816 0.9936 0.9936 7.9624 7.9624 8.1679 8.1679 8.1830 8.1840 8.9627 8.9641 8.9721 8.9721 9.2472 9.2472 9.7453 9.7453 9.9161 9.9161 9.9799 9.9802 12.7072 12.7090 12.7201 12.7201 12.8479 12.8479 14.8450 14.8450 k = 0.0221 0.0220 0.0219 ( 2780 PWs) bands (ev): -45.9470 -45.9470 -22.6601 -22.6601 -22.0067 -22.0067 -22.0036 -22.0036 -14.3931 -14.3931 -6.4947 -6.4947 -5.8311 -5.8311 -5.8282 -5.8282 -0.9301 -0.9301 0.9811 0.9812 0.9885 0.9885 7.9696 7.9696 8.1797 8.1797 8.1883 8.1890 8.9807 8.9817 8.9902 8.9902 9.2436 9.2436 9.7647 9.7647 9.9255 9.9255 9.9862 9.9864 12.6952 12.6966 12.7079 12.7079 12.8408 12.8408 14.8293 14.8304 k = 0.0147 0.0147 0.0146 ( 2780 PWs) bands (ev): -45.9470 -45.9470 -22.6600 -22.6600 -22.0065 -22.0065 -22.0034 -22.0034 -14.3941 -14.3941 -6.4946 -6.4946 -5.8312 -5.8312 -5.8285 -5.8285 -0.9318 -0.9318 0.9809 0.9809 0.9848 0.9848 7.9746 7.9746 8.1883 8.1883 8.1921 8.1925 8.9938 8.9945 9.0034 9.0034 9.2411 9.2411 9.7785 9.7785 9.9326 9.9326 9.9907 9.9908 12.6866 12.6875 12.6991 12.6991 12.8358 12.8358 14.8178 14.8179 k = 0.0074 0.0073 0.0073 ( 2777 PWs) bands (ev): -45.9470 -45.9470 -22.6599 -22.6599 -22.0065 -22.0065 -22.0033 -22.0033 -14.3946 -14.3946 -6.4946 -6.4946 -5.8313 -5.8313 -5.8287 -5.8287 -0.9329 -0.9329 0.9807 0.9807 0.9826 0.9826 7.9775 7.9775 8.1935 8.1935 8.1944 8.1946 9.0019 9.0022 9.0114 9.0114 9.2395 9.2395 9.7866 9.7866 9.9370 9.9370 9.9934 9.9935 12.6815 12.6820 12.6938 12.6938 12.8328 12.8328 14.8110 14.8111 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9470 -45.9470 -22.6599 -22.6599 -22.0064 -22.0064 -22.0033 -22.0033 -14.3948 -14.3948 -6.4946 -6.4946 -5.8313 -5.8313 -5.8287 -5.8287 -0.9332 -0.9332 0.9806 0.9806 0.9818 0.9818 7.9785 7.9785 8.1952 8.1952 8.1953 8.1953 9.0047 9.0047 9.0141 9.0141 9.2390 9.2390 9.7893 9.7893 9.9385 9.9385 9.9944 9.9944 12.6800 12.6800 12.6920 12.6920 12.8318 12.8318 14.8088 14.8097 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9470 -45.9470 -22.6599 -22.6599 -22.0064 -22.0064 -22.0033 -22.0033 -14.3948 -14.3948 -6.4946 -6.4946 -5.8313 -5.8313 -5.8287 -5.8287 -0.9332 -0.9332 0.9806 0.9806 0.9818 0.9818 7.9785 7.9785 8.1952 8.1952 8.1953 8.1953 9.0047 9.0047 9.0141 9.0141 9.2390 9.2390 9.7893 9.7893 9.9385 9.9385 9.9944 9.9944 12.6800 12.6800 12.6920 12.6920 12.8318 12.8318 14.8087 14.8098 k = 0.0089-0.0000-0.0089 ( 2773 PWs) bands (ev): -45.9470 -45.9470 -22.6599 -22.6598 -22.0064 -22.0064 -22.0034 -22.0033 -14.3946 -14.3946 -6.4948 -6.4944 -5.8315 -5.8311 -5.8287 -5.8287 -0.9329 -0.9329 0.9810 0.9812 0.9818 0.9825 7.9751 7.9796 8.1902 8.1931 8.1953 8.1970 9.0030 9.0030 9.0113 9.0136 9.2365 9.2381 9.7711 9.8021 9.9222 9.9511 9.9950 9.9956 12.6808 12.6812 12.6921 12.6947 12.8318 12.8338 14.8102 14.8105 k = 0.0178-0.0000-0.0179 ( 2765 PWs) bands (ev): -45.9470 -45.9470 -22.6600 -22.6598 -22.0065 -22.0065 -22.0035 -22.0033 -14.3941 -14.3941 -6.4950 -6.4943 -5.8316 -5.8308 -5.8286 -5.8285 -0.9318 -0.9318 0.9816 0.9820 0.9833 0.9846 7.9695 7.9785 8.1815 8.1887 8.1933 8.1958 8.9973 8.9978 9.0057 9.0102 9.2306 9.2339 9.7487 9.8074 9.9058 9.9576 9.9962 10.0002 12.6818 12.6847 12.6968 12.7002 12.8338 12.8375 14.8136 14.8144 k = 0.0267-0.0001-0.0268 ( 2763 PWs) bands (ev): -45.9470 -45.9470 -22.6601 -22.6599 -22.0066 -22.0066 -22.0036 -22.0033 -14.3932 -14.3931 -6.4954 -6.4943 -5.8317 -5.8304 -5.8283 -5.8283 -0.9301 -0.9300 0.9821 0.9825 0.9866 0.9882 7.9615 7.9751 8.1691 8.1817 8.1891 8.1925 8.9868 8.9884 8.9981 9.0042 9.2219 9.2268 9.7226 9.8020 9.8929 9.9579 9.9972 10.0074 12.6824 12.6894 12.7066 12.7099 12.8378 12.8431 14.8192 14.8204 k = 0.0356-0.0001-0.0357 ( 2767 PWs) bands (ev): -45.9470 -45.9470 -22.6604 -22.6600 -22.0068 -22.0068 -22.0038 -22.0035 -14.3919 -14.3919 -6.4958 -6.4944 -5.8317 -5.8299 -5.8281 -5.8279 -0.9276 -0.9275 0.9828 0.9833 0.9913 0.9933 7.9509 7.9692 8.1532 8.1716 8.1828 8.1877 8.9715 8.9742 8.9885 8.9956 9.2112 9.2177 9.6933 9.7844 9.8854 9.9542 9.9976 10.0147 12.6834 12.6943 12.7206 12.7246 12.8438 12.8505 14.8269 14.8285 k = 0.0445-0.0001-0.0446 ( 2765 PWs) bands (ev): -45.9470 -45.9470 -22.6606 -22.6602 -22.0071 -22.0070 -22.0041 -22.0036 -14.3903 -14.3902 -6.4962 -6.4945 -5.8316 -5.8293 -5.8277 -5.8273 -0.9246 -0.9244 0.9836 0.9843 0.9974 0.9997 7.9375 7.9606 8.1341 8.1584 8.1748 8.1813 8.9516 8.9554 8.9763 8.9842 9.1994 9.2073 9.6612 9.7571 9.8813 9.9480 9.9971 10.0203 12.6854 12.6996 12.7387 12.7439 12.8519 12.8598 14.8367 14.8387 k = 0.0534-0.0001-0.0536 ( 2765 PWs) bands (ev): -45.9470 -45.9470 -22.6609 -22.6604 -22.0075 -22.0073 -22.0043 -22.0038 -14.3883 -14.3882 -6.4967 -6.4946 -5.8315 -5.8285 -5.8273 -5.8266 -0.9210 -0.9206 0.9846 0.9854 1.0048 1.0073 7.9210 7.9488 8.1120 8.1420 8.1655 8.1735 8.9275 8.9322 8.9611 8.9694 9.1877 9.1966 9.6264 9.7233 9.8777 9.9398 9.9953 10.0234 12.6889 12.7057 12.7607 12.7672 12.8622 12.8710 14.8485 14.8508 k = 0.0623-0.0002-0.0625 ( 2753 PWs) bands (ev): -45.9469 -45.9469 -22.6612 -22.6606 -22.0079 -22.0076 -22.0046 -22.0040 -14.3860 -14.3859 -6.4973 -6.4949 -5.8313 -5.8277 -5.8267 -5.8256 -0.9168 -0.9163 0.9858 0.9868 1.0133 1.0161 7.9012 7.9336 8.0875 8.1228 8.1550 8.1644 8.8993 8.9048 8.9428 8.9510 9.1767 9.1865 9.5892 9.6850 9.8731 9.9301 9.9920 10.0237 12.6941 12.7130 12.7863 12.7940 12.8746 12.8843 14.8620 14.8647 k = 0.0712-0.0002-0.0714 ( 2749 PWs) bands (ev): -45.9469 -45.9469 -22.6615 -22.6609 -22.0084 -22.0081 -22.0048 -22.0043 -14.3834 -14.3833 -6.4979 -6.4951 -5.8310 -5.8267 -5.8260 -5.8244 -0.9121 -0.9114 0.9873 0.9883 1.0230 1.0260 7.8778 7.9142 8.0610 8.1010 8.1436 8.1539 8.8671 8.8737 8.9212 8.9292 9.1673 9.1775 9.5498 9.6431 9.8667 9.9189 9.9870 10.0210 12.7012 12.7218 12.8150 12.8241 12.8892 12.8997 14.8772 14.8801 k = 0.0801-0.0002-0.0804 ( 2751 PWs) bands (ev): -45.9469 -45.9469 -22.6620 -22.6613 -22.0091 -22.0086 -22.0051 -22.0046 -14.3804 -14.3803 -6.4985 -6.4955 -5.8306 -5.8258 -5.8249 -5.8229 -0.9071 -0.9061 0.9888 0.9900 1.0337 1.0367 7.8506 7.8902 8.0332 8.0767 8.1314 8.1424 8.8313 8.8391 8.8967 8.9041 9.1596 9.1699 9.5085 9.5984 9.8585 9.9063 9.9801 10.0154 12.7105 12.7324 12.8464 12.8569 12.9061 12.9177 14.8937 14.8970 k = 0.0890-0.0002-0.0893 ( 2755 PWs) bands (ev): -45.9469 -45.9469 -22.6625 -22.6617 -22.0099 -22.0093 -22.0055 -22.0048 -14.3771 -14.3770 -6.4992 -6.4958 -5.8302 -5.8251 -5.8234 -5.8212 -0.9016 -0.9003 0.9906 0.9919 1.0452 1.0483 7.8195 7.8611 8.0043 8.0500 8.1186 8.1300 8.7922 8.8015 8.8695 8.8763 9.1535 9.1637 9.4655 9.5513 9.8484 9.8924 9.9714 10.0071 12.7221 12.7451 12.8800 12.8921 12.9255 12.9384 14.9116 14.9152 k = 0.0979-0.0003-0.0982 ( 2753 PWs) bands (ev): -45.9468 -45.9468 -22.6630 -22.6621 -22.0107 -22.0099 -22.0058 -22.0051 -14.3736 -14.3735 -6.4998 -6.4962 -5.8297 -5.8243 -5.8215 -5.8191 -0.8959 -0.8942 0.9925 0.9939 1.0575 1.0606 7.7846 7.8270 7.9745 8.0209 8.1055 8.1169 8.7503 8.7614 8.8399 8.8463 9.1490 9.1587 9.4211 9.5022 9.8367 9.8773 9.9607 9.9963 12.7360 12.7599 12.9148 12.9286 12.9479 12.9626 14.9305 14.9344 k = 0.1068-0.0003-0.1071 ( 2755 PWs) bands (ev): -45.9468 -45.9468 -22.6635 -22.6626 -22.0116 -22.0107 -22.0061 -22.0054 -14.3698 -14.3697 -6.5005 -6.4965 -5.8292 -5.8235 -5.8193 -5.8167 -0.8900 -0.8878 0.9946 0.9961 1.0704 1.0735 7.7461 7.7881 7.9435 7.9894 8.0921 8.1033 8.7061 8.7190 8.8083 8.8146 9.1457 9.1548 9.3758 9.4516 9.8235 9.8612 9.9484 9.9833 12.7524 12.7769 12.9496 12.9627 12.9766 12.9914 14.9504 14.9546 k = 0.1157-0.0003-0.1161 ( 2753 PWs) bands (ev): -45.9468 -45.9468 -22.6641 -22.6631 -22.0125 -22.0115 -22.0065 -22.0057 -14.3657 -14.3656 -6.5011 -6.4968 -5.8286 -5.8226 -5.8167 -5.8139 -0.8839 -0.8812 0.9969 0.9984 1.0837 1.0868 7.7042 7.7450 7.9111 7.9554 8.0787 8.0893 8.6601 8.6749 8.7752 8.7815 9.1431 9.1511 9.3303 9.4001 9.8090 9.8442 9.9346 9.9685 12.7713 12.7963 12.9831 12.9914 13.0144 13.0257 14.9709 14.9754 k = 0.1247-0.0003-0.1250 ( 2753 PWs) bands (ev): -45.9467 -45.9467 -22.6647 -22.6636 -22.0136 -22.0125 -22.0068 -22.0060 -14.3614 -14.3612 -6.5016 -6.4971 -5.8280 -5.8217 -5.8138 -5.8107 -0.8777 -0.8744 0.9992 1.0010 1.0972 1.1005 7.6593 7.6984 7.8769 7.9189 8.0652 8.0753 8.6126 8.6291 8.7409 8.7473 9.1404 9.1467 9.2860 9.3486 9.7932 9.8263 9.9195 9.9523 12.7926 12.8180 13.0154 13.0197 13.0559 13.0652 14.9921 14.9968 k = 0.1336-0.0004-0.1339 ( 2752 PWs) bands (ev): -45.9467 -45.9467 -22.6653 -22.6642 -22.0147 -22.0134 -22.0072 -22.0063 -14.3568 -14.3567 -6.5020 -6.4973 -5.8273 -5.8207 -5.8104 -5.8072 -0.8714 -0.8675 1.0017 1.0036 1.1107 1.1143 7.6119 7.6489 7.8405 7.8799 8.0516 8.0611 8.5639 8.5822 8.7058 8.7122 9.1356 9.1393 9.2458 9.2986 9.7762 9.8077 9.9036 9.9353 12.8163 12.8420 13.0472 13.0495 13.0992 13.1082 15.0136 15.0185 k = 0.1425-0.0004-0.1429 ( 2750 PWs) bands (ev): -45.9466 -45.9466 -22.6660 -22.6648 -22.0158 -22.0145 -22.0076 -22.0067 -14.3521 -14.3520 -6.5022 -6.4973 -5.8265 -5.8197 -5.8067 -5.8033 -0.8653 -0.8606 1.0043 1.0064 1.1240 1.1283 7.5623 7.5971 7.8019 7.8385 8.0379 8.0471 8.5144 8.5340 8.6701 8.6764 9.1201 9.1290 9.2154 9.2537 9.7581 9.7881 9.8874 9.9179 12.8424 12.8682 13.0794 13.0814 13.1440 13.1532 15.0353 15.0405 k = 0.1514-0.0004-0.1518 ( 2754 PWs) bands (ev): -45.9466 -45.9466 -22.6667 -22.6655 -22.0170 -22.0156 -22.0079 -22.0070 -14.3472 -14.3470 -6.5023 -6.4971 -5.8257 -5.8187 -5.8026 -5.7990 -0.8592 -0.8537 1.0070 1.0093 1.1370 1.1421 7.5110 7.5436 7.7609 7.7948 8.0240 8.0330 8.4641 8.4849 8.6340 8.6402 9.0894 9.1099 9.1996 9.2201 9.7388 9.7676 9.8714 9.9009 12.8707 12.8966 13.1124 13.1149 13.1901 13.1996 15.0572 15.0626 k = 0.1603-0.0004-0.1607 ( 2740 PWs) bands (ev): -45.9465 -45.9465 -22.6674 -22.6661 -22.0182 -22.0167 -22.0083 -22.0073 -14.3421 -14.3419 -6.5021 -6.4967 -5.8248 -5.8176 -5.7982 -5.7944 -0.8532 -0.8470 1.0097 1.0123 1.1494 1.1556 7.4584 7.4889 7.7177 7.7489 8.0100 8.0190 8.4131 8.4347 8.5979 8.6037 9.0492 9.0764 9.1943 9.2028 9.7181 9.7458 9.8563 9.8849 12.9011 12.9271 13.1467 13.1498 13.2370 13.2470 15.0790 15.0846 k = 0.1692-0.0005-0.1696 ( 2742 PWs) bands (ev): -45.9465 -45.9465 -22.6681 -22.6668 -22.0195 -22.0179 -22.0087 -22.0077 -14.3369 -14.3367 -6.5016 -6.4960 -5.8239 -5.8164 -5.7934 -5.7894 -0.8475 -0.8404 1.0124 1.0155 1.1612 1.1687 7.4049 7.4333 7.6724 7.7010 7.9956 8.0050 8.3615 8.3834 8.5617 8.5669 9.0054 9.0328 9.1941 9.1977 9.6960 9.7224 9.8428 9.8702 12.9335 12.9595 13.1823 13.1859 13.2847 13.2950 15.1006 15.1065 k = 0.1781-0.0005-0.1786 ( 2740 PWs) bands (ev): -45.9464 -45.9464 -22.6689 -22.6675 -22.0208 -22.0191 -22.0091 -22.0080 -14.3315 -14.3314 -6.5007 -6.4950 -5.8230 -5.8153 -5.7882 -5.7842 -0.8420 -0.8339 1.0152 1.0187 1.1721 1.1812 7.3508 7.3773 7.6252 7.6514 7.9810 7.9908 8.3092 8.3310 8.5257 8.5302 8.9610 8.9858 9.1960 9.1992 9.6724 9.6973 9.8314 9.8576 12.9678 12.9938 13.2190 13.2231 13.3330 13.3434 15.1219 15.1280 k = 0.1870-0.0005-0.1875 ( 2742 PWs) bands (ev): -45.9464 -45.9464 -22.6697 -22.6683 -22.0222 -22.0204 -22.0095 -22.0084 -14.3261 -14.3259 -6.4995 -6.4935 -5.8220 -5.8141 -5.7829 -5.7787 -0.8368 -0.8278 1.0179 1.0220 1.1821 1.1930 7.2966 7.3212 7.5764 7.6003 7.9660 7.9766 8.2561 8.2773 8.4899 8.4936 8.9177 8.9388 9.1996 9.2035 9.6473 9.6705 9.8226 9.8472 13.0037 13.0297 13.2566 13.2612 13.3816 13.3923 15.1429 15.1492 k = 0.1959-0.0005-0.1964 ( 2742 PWs) bands (ev): -45.9463 -45.9463 -22.6705 -22.6690 -22.0236 -22.0217 -22.0099 -22.0087 -14.3205 -14.3204 -6.4978 -6.4917 -5.8209 -5.8129 -5.7773 -5.7729 -0.8319 -0.8219 1.0206 1.0252 1.1911 1.2039 7.2423 7.2653 7.5261 7.5479 7.9504 7.9621 8.2024 8.2223 8.4543 8.4571 8.8766 8.8937 9.2048 9.2093 9.6207 9.6419 9.8165 9.8392 13.0413 13.0672 13.2950 13.3000 13.4304 13.4413 15.1633 15.1698 k = 0.2048-0.0006-0.2054 ( 2746 PWs) bands (ev): -45.9463 -45.9463 -22.6713 -22.6698 -22.0250 -22.0231 -22.0103 -22.0091 -14.3150 -14.3148 -6.4956 -6.4893 -5.8199 -5.8116 -5.7715 -5.7671 -0.8273 -0.8164 1.0231 1.0285 1.1989 1.2138 7.1884 7.2099 7.4747 7.4946 7.9340 7.9474 8.1479 8.1658 8.4189 8.4208 8.8386 8.8518 9.2109 9.2160 9.5928 9.6119 9.8130 9.8339 13.0802 13.1061 13.3341 13.3394 13.4794 13.4903 15.1832 15.1899 k = 0.2137-0.0006-0.2143 ( 2740 PWs) bands (ev): -45.9462 -45.9462 -22.6721 -22.6706 -22.0264 -22.0244 -22.0107 -22.0095 -14.3094 -14.3092 -6.4928 -6.4864 -5.8188 -5.8103 -5.7656 -5.7611 -0.8232 -0.8112 1.0255 1.0318 1.2054 1.2226 7.1350 7.1550 7.4224 7.4404 7.9165 7.9325 8.0931 8.1079 8.3836 8.3848 8.8043 8.8141 9.2178 9.2234 9.5638 9.5808 9.8123 9.8312 13.1204 13.1462 13.3736 13.3792 13.5283 13.5394 15.2023 15.2092 k = 0.2226-0.0006-0.2232 ( 2740 PWs) bands (ev): -45.9462 -45.9462 -22.6730 -22.6714 -22.0279 -22.0258 -22.0111 -22.0099 -14.3037 -14.3036 -6.4894 -6.4829 -5.8176 -5.8090 -5.7597 -5.7550 -0.8195 -0.8065 1.0278 1.0349 1.2108 1.2303 7.0823 7.1010 7.3695 7.3858 7.8970 7.9173 8.0385 8.0488 8.3485 8.3491 8.7742 8.7812 9.2252 9.2313 9.5339 9.5487 9.8141 9.8311 13.1618 13.1874 13.4133 13.4193 13.5772 13.5882 15.2208 15.2279 k = 0.2315-0.0006-0.2321 ( 2738 PWs) bands (ev): -45.9461 -45.9461 -22.6738 -22.6722 -22.0293 -22.0272 -22.0115 -22.0103 -14.2981 -14.2980 -6.4853 -6.4787 -5.8164 -5.8077 -5.7537 -5.7490 -0.8162 -0.8022 1.0297 1.0379 1.2149 1.2369 7.0305 7.0480 7.3162 7.3309 7.8740 7.9017 7.9844 7.9899 8.3132 8.3138 8.7490 8.7537 9.2330 9.2395 9.5033 9.5162 9.8184 9.8335 13.2040 13.2295 13.4532 13.4595 13.6258 13.6369 15.2384 15.2457 k = 0.2404-0.0007-0.2411 ( 2738 PWs) bands (ev): -45.9460 -45.9460 -22.6747 -22.6731 -22.0307 -22.0286 -22.0119 -22.0106 -14.2925 -14.2924 -6.4805 -6.4738 -5.8152 -5.8064 -5.7479 -5.7431 -0.8133 -0.7983 1.0314 1.0406 1.2177 1.2423 6.9796 6.9960 7.2626 7.2759 7.8440 7.8848 7.9262 7.9406 8.2780 8.2787 8.7287 8.7320 9.2410 9.2481 9.4722 9.4834 9.8249 9.8382 13.2471 13.2724 13.4930 13.4995 13.6742 13.6852 15.2552 15.2627 k = 0.2493-0.0007-0.2500 ( 2742 PWs) bands (ev): -45.9460 -45.9460 -22.6755 -22.6739 -22.0322 -22.0301 -22.0123 -22.0110 -14.2870 -14.2868 -6.4750 -6.4682 -5.8140 -5.8051 -5.7422 -5.7374 -0.8109 -0.7950 1.0327 1.0430 1.2194 1.2466 6.9299 6.9453 7.2091 7.2211 7.8034 7.8537 7.8787 7.9030 8.2429 8.2438 8.7137 8.7161 9.2490 9.2568 9.4410 9.4507 9.8336 9.8452 13.2908 13.3160 13.5326 13.5394 13.7221 13.7331 15.2712 15.2787 k = 0.2582-0.0007-0.2589 ( 2738 PWs) bands (ev): -45.9459 -45.9459 -22.6763 -22.6747 -22.0336 -22.0315 -22.0126 -22.0114 -14.2815 -14.2814 -6.4687 -6.4619 -5.8128 -5.8037 -5.7367 -5.7318 -0.8090 -0.7921 1.0336 1.0450 1.2201 1.2499 6.8813 6.8958 7.1559 7.1666 7.7526 7.7939 7.8587 7.8750 8.2082 8.2090 8.7040 8.7061 9.2570 9.2654 9.4099 9.4186 9.8442 9.8542 13.3350 13.3600 13.5718 13.5789 13.7696 13.7805 15.2861 15.2938 k = 0.2671-0.0007-0.2679 ( 2738 PWs) bands (ev): -45.9459 -45.9459 -22.6772 -22.6756 -22.0351 -22.0329 -22.0130 -22.0118 -14.2761 -14.2759 -6.4616 -6.4547 -5.8115 -5.8024 -5.7315 -5.7266 -0.8075 -0.7897 1.0339 1.0465 1.2199 1.2522 6.8340 6.8476 7.1031 7.1126 7.6957 7.7299 7.8421 7.8529 8.1739 8.1745 8.6994 8.7015 9.2643 9.2736 9.3794 9.3879 9.8566 9.8651 13.3795 13.4043 13.6106 13.6179 13.8165 13.8273 15.3001 15.3080 k = 0.2760-0.0008-0.2768 ( 2734 PWs) bands (ev): -45.9458 -45.9458 -22.6780 -22.6764 -22.0365 -22.0343 -22.0134 -22.0121 -14.2707 -14.2706 -6.4537 -6.4468 -5.8103 -5.8011 -5.7266 -5.7217 -0.8064 -0.7879 1.0336 1.0473 1.2190 1.2536 6.7880 6.8008 7.0509 7.0594 7.6359 7.6651 7.8256 7.8340 8.1400 8.1404 8.6997 8.7022 9.2700 9.2806 9.3502 9.3603 9.8707 9.8777 13.4242 13.4487 13.6488 13.6563 13.8628 13.8734 15.3131 15.3211 k = 0.2849-0.0008-0.2857 ( 2730 PWs) bands (ev): -45.9458 -45.9458 -22.6788 -22.6772 -22.0378 -22.0357 -22.0137 -22.0125 -14.2655 -14.2654 -6.4450 -6.4380 -5.8090 -5.7997 -5.7222 -5.7172 -0.8058 -0.7865 1.0327 1.0473 1.2176 1.2544 6.7433 6.7553 6.9995 7.0070 7.5747 7.6002 7.8090 7.8170 8.1067 8.1068 8.7046 8.7075 9.2706 9.2839 9.3248 9.3394 9.8861 9.8918 13.4689 13.4932 13.6863 13.6940 13.9082 13.9187 15.3252 15.3333 k = 0.2938-0.0008-0.2946 ( 2726 PWs) bands (ev): -45.9457 -45.9457 -22.6796 -22.6780 -22.0392 -22.0371 -22.0140 -22.0128 -14.2605 -14.2604 -6.4355 -6.4284 -5.8078 -5.7984 -5.7183 -5.7132 -0.8056 -0.7857 1.0310 1.0463 1.2160 1.2546 6.7001 6.7114 6.9491 6.9557 7.5131 7.5356 7.7925 7.8011 8.0738 8.0741 8.7135 8.7171 9.2606 9.2755 9.3122 9.3308 9.9028 9.9073 13.5135 13.5375 13.7229 13.7308 13.9528 13.9630 15.3361 15.3444 k = 0.3027-0.0008-0.3036 ( 2728 PWs) bands (ev): -45.9456 -45.9456 -22.6804 -22.6788 -22.0405 -22.0385 -22.0144 -22.0132 -14.2555 -14.2554 -6.4251 -6.4180 -5.8065 -5.7971 -5.7149 -5.7098 -0.8058 -0.7853 1.0284 1.0443 1.2143 1.2544 6.6582 6.6688 6.8999 6.9055 7.4516 7.4716 7.7764 7.7860 8.0415 8.0423 8.7256 8.7302 9.2411 9.2545 9.3144 9.3329 9.9205 9.9240 13.5578 13.5815 13.7586 13.7666 13.9965 14.0064 15.3461 15.3544 k = 0.3116-0.0009-0.3125 ( 2728 PWs) bands (ev): -45.9456 -45.9456 -22.6811 -22.6796 -22.0419 -22.0398 -22.0147 -22.0136 -14.2507 -14.2506 -6.4139 -6.4069 -5.8053 -5.7958 -5.7121 -5.7070 -0.8064 -0.7855 1.0251 1.0411 1.2129 1.2540 6.6178 6.6277 6.8519 6.8567 7.3907 7.4085 7.7609 7.7713 8.0102 8.0113 8.7404 8.7460 9.2187 9.2315 9.3211 9.3396 9.9391 9.9417 13.6016 13.6251 13.7933 13.8014 14.0390 14.0487 15.3551 15.3634 k = 0.3205-0.0009-0.3214 ( 2730 PWs) bands (ev): -45.9455 -45.9455 -22.6819 -22.6804 -22.0431 -22.0411 -22.0151 -22.0139 -14.2461 -14.2460 -6.4020 -6.3949 -5.8041 -5.7946 -5.7100 -5.7049 -0.8074 -0.7861 1.0208 1.0367 1.2118 1.2534 6.5788 6.5881 6.8055 6.8094 7.3307 7.3466 7.7459 7.7571 7.9797 7.9812 8.7568 8.7635 9.1970 9.2105 9.3290 9.3482 9.9582 9.9602 13.6449 13.6680 13.8268 13.8351 14.0804 14.0898 15.3630 15.3714 k = 0.3294-0.0009-0.3304 ( 2732 PWs) bands (ev): -45.9455 -45.9455 -22.6826 -22.6812 -22.0444 -22.0424 -22.0154 -22.0143 -14.2417 -14.2416 -6.3893 -6.3823 -5.8029 -5.7934 -5.7087 -5.7035 -0.8087 -0.7871 1.0158 1.0311 1.2113 1.2529 6.5413 6.5499 6.7607 6.7638 7.2720 7.2862 7.7316 7.7434 7.9503 7.9522 8.7736 8.7814 9.1780 9.1928 9.3374 9.3576 9.9777 9.9795 13.6875 13.7102 13.8592 13.8676 14.1205 14.1295 15.3700 15.3784 k = 0.3383-0.0009-0.3393 ( 2734 PWs) bands (ev): -45.9454 -45.9454 -22.6833 -22.6819 -22.0456 -22.0437 -22.0157 -22.0146 -14.2374 -14.2373 -6.3759 -6.3689 -5.8017 -5.7921 -5.7080 -5.7028 -0.8102 -0.7886 1.0099 1.0244 1.2114 1.2524 6.5053 6.5132 6.7176 6.7199 7.2148 7.2274 7.7180 7.7301 7.9220 7.9242 8.7895 8.7984 9.1631 9.1796 9.3460 9.3675 9.9973 9.9993 13.7292 13.7515 13.8903 13.8988 14.1592 14.1679 15.3760 15.3844 k = 0.3472-0.0010-0.3482 ( 2728 PWs) bands (ev): -45.9454 -45.9454 -22.6840 -22.6826 -22.0467 -22.0449 -22.0159 -22.0149 -14.2333 -14.2333 -6.3619 -6.3549 -5.8006 -5.7910 -5.7082 -5.7029 -0.8120 -0.7905 1.0032 1.0167 1.2121 1.2521 6.4707 6.4780 6.6766 6.6781 7.1593 7.1705 7.7051 7.7174 7.8948 7.8973 8.8031 8.8128 9.1539 9.1721 9.3546 9.3776 10.0170 10.0194 13.7699 13.7918 13.9200 13.9287 14.1964 14.2047 15.3811 15.3895 k = 0.3562-0.0010-0.3571 ( 2722 PWs) bands (ev): -45.9453 -45.9453 -22.6846 -22.6833 -22.0478 -22.0460 -22.0162 -22.0152 -14.2295 -14.2294 -6.3473 -6.3404 -5.7996 -5.7898 -5.7091 -5.7038 -0.8140 -0.7927 0.9960 1.0082 1.2133 1.2520 6.4377 6.4443 6.6376 6.6383 7.1058 7.1157 7.6929 7.7053 7.8688 7.8716 8.8130 8.8231 9.1513 9.1713 9.3632 9.3879 10.0367 10.0395 13.8094 13.8308 13.9484 13.9571 14.2320 14.2399 15.3853 15.3936 k = 0.3651-0.0010-0.3661 ( 2722 PWs) bands (ev): -45.9453 -45.9453 -22.6852 -22.6840 -22.0488 -22.0471 -22.0164 -22.0155 -14.2258 -14.2258 -6.3322 -6.3254 -5.7985 -5.7887 -5.7109 -5.7054 -0.8162 -0.7952 0.9882 0.9990 1.2151 1.2520 6.4062 6.4121 6.6006 6.6008 7.0545 7.0631 7.6815 7.6938 7.8440 7.8471 8.8184 8.8283 9.1560 9.1778 9.3717 9.3983 10.0562 10.0594 13.8475 13.8685 13.9753 13.9842 14.2659 14.2733 15.3887 15.3969 k = 0.3740-0.0010-0.3750 ( 2722 PWs) bands (ev): -45.9453 -45.9453 -22.6858 -22.6846 -22.0498 -22.0482 -22.0167 -22.0158 -14.2224 -14.2223 -6.3167 -6.3100 -5.7976 -5.7877 -5.7134 -5.7078 -0.8185 -0.7980 0.9800 0.9895 1.2173 1.2523 6.3761 6.3815 6.5655 6.5663 7.0055 7.0130 7.6710 7.6829 7.8204 7.8238 8.8190 8.8282 9.1676 9.1910 9.3802 9.4088 10.0754 10.0790 13.8843 13.9047 14.0007 14.0097 14.2980 14.3050 15.3913 15.3993 k = 0.3829-0.0011-0.3839 ( 2728 PWs) bands (ev): -45.9452 -45.9452 -22.6864 -22.6852 -22.0508 -22.0492 -22.0169 -22.0161 -14.2191 -14.2191 -6.3009 -6.2943 -5.7967 -5.7867 -5.7167 -5.7110 -0.8208 -0.8009 0.9716 0.9798 1.2198 1.2527 6.3477 6.3524 6.5327 6.5343 6.9590 6.9655 7.6612 7.6728 7.7981 7.8017 8.8155 8.8236 9.1849 9.2101 9.3887 9.4196 10.0941 10.0980 13.9193 13.9392 14.0245 14.0337 14.3282 14.3348 15.3932 15.4010 k = 0.3918-0.0011-0.3929 ( 2730 PWs) bands (ev): -45.9452 -45.9452 -22.6869 -22.6858 -22.0516 -22.0502 -22.0171 -22.0163 -14.2161 -14.2161 -6.2850 -6.2785 -5.7959 -5.7857 -5.7208 -5.7148 -0.8231 -0.8041 0.9632 0.9700 1.2226 1.2532 6.3208 6.3249 6.5025 6.5047 6.9152 6.9207 7.6524 7.6634 7.7771 7.7809 8.8087 8.8157 9.2062 9.2333 9.3972 9.4305 10.1122 10.1163 13.9527 13.9720 14.0468 14.0561 14.3565 14.3626 15.3945 15.4020 k = 0.4007-0.0011-0.4018 ( 2732 PWs) bands (ev): -45.9452 -45.9452 -22.6873 -22.6864 -22.0525 -22.0511 -22.0173 -22.0165 -14.2133 -14.2133 -6.2690 -6.2627 -5.7952 -5.7848 -5.7255 -5.7193 -0.8254 -0.8073 0.9547 0.9605 1.2255 1.2538 6.2955 6.2991 6.4749 6.4777 6.8742 6.8788 7.6444 7.6549 7.7574 7.7613 8.7998 8.8057 9.2298 9.2589 9.4060 9.4417 10.1295 10.1338 13.9841 14.0028 14.0674 14.0769 14.3827 14.3883 15.3952 15.4024 k = 0.4096-0.0011-0.4107 ( 2732 PWs) bands (ev): -45.9451 -45.9451 -22.6878 -22.6869 -22.0532 -22.0519 -22.0175 -22.0168 -14.2108 -14.2108 -6.2531 -6.2470 -5.7946 -5.7839 -5.7308 -5.7243 -0.8276 -0.8106 0.9466 0.9513 1.2286 1.2544 6.2719 6.2750 6.4500 6.4532 6.8361 6.8400 7.6374 7.6472 7.7390 7.7430 8.7898 8.7946 9.2541 9.2853 9.4154 9.4531 10.1459 10.1502 14.0134 14.0316 14.0863 14.0961 14.4069 14.4120 15.3954 15.4023 k = 0.4185-0.0012-0.4196 ( 2730 PWs) bands (ev): -45.9451 -45.9451 -22.6882 -22.6873 -22.0538 -22.0527 -22.0176 -22.0170 -14.2085 -14.2085 -6.2375 -6.2317 -5.7940 -5.7831 -5.7366 -5.7296 -0.8297 -0.8139 0.9387 0.9426 1.2316 1.2550 6.2501 6.2527 6.4278 6.4313 6.8011 6.8042 7.6314 7.6405 7.7219 7.7260 8.7792 8.7831 9.2779 9.3108 9.4256 9.4649 10.1613 10.1655 14.0405 14.0581 14.1036 14.1136 14.4289 14.4335 15.3953 15.4017 k = 0.4274-0.0012-0.4286 ( 2728 PWs) bands (ev): -45.9451 -45.9451 -22.6885 -22.6877 -22.0544 -22.0534 -22.0177 -22.0172 -14.2064 -14.2064 -6.2224 -6.2169 -5.7936 -5.7823 -5.7427 -5.7353 -0.8316 -0.8171 0.9313 0.9345 1.2347 1.2555 6.2301 6.2324 6.4082 6.4119 6.7692 6.7717 7.6264 7.6347 7.7062 7.7102 8.7687 8.7719 9.3002 9.3337 9.4372 9.4770 10.1755 10.1796 14.0653 14.0823 14.1191 14.1295 14.4487 14.4528 15.3948 15.4008 k = 0.4363-0.0012-0.4375 ( 2730 PWs) bands (ev): -45.9450 -45.9450 -22.6888 -22.6881 -22.0549 -22.0540 -22.0178 -22.0173 -14.2046 -14.2046 -6.2080 -6.2029 -5.7933 -5.7816 -5.7490 -5.7410 -0.8332 -0.8203 0.9245 0.9271 1.2376 1.2560 6.2121 6.2142 6.3912 6.3949 6.7407 6.7427 7.6224 7.6300 7.6917 7.6958 8.7588 8.7613 9.3203 9.3529 9.4506 9.4891 10.1884 10.1923 14.0876 14.1039 14.1330 14.1436 14.4662 14.4698 15.3942 15.3996 k = 0.4452-0.0012-0.4464 ( 2726 PWs) bands (ev): -45.9450 -45.9450 -22.6890 -22.6885 -22.0554 -22.0546 -22.0179 -22.0175 -14.2030 -14.2030 -6.1945 -6.1899 -5.7931 -5.7811 -5.7553 -5.7466 -0.8346 -0.8232 0.9184 0.9205 1.2404 1.2563 6.1963 6.1980 6.3767 6.3803 6.7156 6.7171 7.6195 7.6263 7.6786 7.6826 8.7497 8.7517 9.3378 9.3678 9.4657 9.5009 10.1999 10.2034 14.1073 14.1229 14.1451 14.1559 14.4816 14.4847 15.3935 15.3983 k = 0.4541-0.0013-0.4554 ( 2724 PWs) bands (ev): -45.9450 -45.9450 -22.6893 -22.6888 -22.0557 -22.0550 -22.0180 -22.0176 -14.2016 -14.2016 -6.1823 -6.1782 -5.7929 -5.7807 -5.7612 -5.7520 -0.8357 -0.8260 0.9131 0.9147 1.2431 1.2564 6.1826 6.1840 6.3647 6.3680 6.6940 6.6951 7.6176 7.6238 7.6668 7.6707 8.7416 8.7432 9.3527 9.3786 9.4815 9.5120 10.2099 10.2130 14.1244 14.1389 14.1558 14.1664 14.4947 14.4972 15.3928 15.3969 k = 0.4630-0.0013-0.4643 ( 2728 PWs) bands (ev): -45.9450 -45.9450 -22.6894 -22.6890 -22.0560 -22.0555 -22.0180 -22.0178 -14.2005 -14.2005 -6.1716 -6.1682 -5.7927 -5.7807 -5.7663 -5.7568 -0.8364 -0.8285 0.9086 0.9099 1.2455 1.2562 6.1712 6.1724 6.3551 6.3580 6.6760 6.6768 7.6169 7.6224 7.6563 7.6602 8.7348 8.7360 9.3649 9.3859 9.4969 9.5217 10.2184 10.2210 14.1386 14.1517 14.1651 14.1751 14.5055 14.5075 15.3921 15.3956 k = 0.4719-0.0013-0.4732 ( 2728 PWs) bands (ev): -45.9450 -45.9450 -22.6896 -22.6893 -22.0562 -22.0558 -22.0181 -22.0179 -14.1996 -14.1996 -6.1626 -6.1599 -5.7925 -5.7816 -5.7698 -5.7611 -0.8368 -0.8307 0.9051 0.9061 1.2478 1.2559 6.1622 6.1631 6.3478 6.3501 6.6618 6.6624 7.6173 7.6223 7.6472 7.6509 8.7294 8.7302 9.3746 9.3905 9.5107 9.5295 10.2252 10.2272 14.1501 14.1608 14.1734 14.1818 14.5140 14.5156 15.3916 15.3943 k = 0.4808-0.0013-0.4821 ( 2728 PWs) bands (ev): -45.9450 -45.9450 -22.6896 -22.6894 -22.0564 -22.0561 -22.0181 -22.0180 -14.1990 -14.1990 -6.1558 -6.1539 -5.7919 -5.7837 -5.7713 -5.7646 -0.8368 -0.8327 0.9025 0.9032 1.2498 1.2553 6.1556 6.1562 6.3427 6.3443 6.6515 6.6518 7.6188 7.6233 7.6393 7.6429 8.7254 8.7259 9.3822 9.3929 9.5220 9.5349 10.2302 10.2317 14.1589 14.1664 14.1804 14.1864 14.5203 14.5213 15.3914 15.3932 k = 0.4897-0.0014-0.4911 ( 2720 PWs) bands (ev): -45.9450 -45.9450 -22.6896 -22.6895 -22.0564 -22.0563 -22.0181 -22.0180 -14.1986 -14.1986 -6.1512 -6.1502 -5.7909 -5.7863 -5.7712 -5.7674 -0.8365 -0.8342 0.9010 0.9013 1.2515 1.2545 6.1516 6.1519 6.3396 6.3405 6.6450 6.6452 7.6215 7.6255 7.6328 7.6363 8.7229 8.7232 9.3877 9.3934 9.5305 9.5373 10.2336 10.2344 14.1649 14.1690 14.1855 14.1888 14.5243 14.5248 15.3913 15.3923 k = 0.4986-0.0014-0.5000 ( 2716 PWs) bands (ev): -45.9450 -45.9450 -22.6896 -22.6896 -22.0564 -22.0564 -22.0180 -22.0180 -14.1984 -14.1984 -6.1491 -6.1489 -5.7893 -5.7887 -5.7700 -5.7695 -0.8358 -0.8355 0.9005 0.9005 1.2530 1.2534 6.1500 6.1501 6.3387 6.3388 6.6425 6.6425 7.6252 7.6263 7.6301 7.6312 8.7220 8.7220 9.3913 9.3921 9.5356 9.5366 10.2351 10.2352 14.1684 14.1689 14.1885 14.1889 14.5260 14.5261 15.3916 15.3917 k = 0.5014 0.4972-0.0028 ( 2716 PWs) bands (ev): -45.9450 -45.9450 -22.6896 -22.6896 -22.0564 -22.0564 -22.0180 -22.0180 -14.1984 -14.1984 -6.1491 -6.1490 -5.7893 -5.7887 -5.7700 -5.7695 -0.8358 -0.8355 0.9005 0.9005 1.2530 1.2534 6.1501 6.1501 6.3387 6.3388 6.6425 6.6425 7.6252 7.6263 7.6301 7.6312 8.7220 8.7220 9.3913 9.3921 9.5356 9.5365 10.2351 10.2352 14.1684 14.1689 14.1885 14.1889 14.5260 14.5261 15.3916 15.3917 k = 0.5000 0.4986-0.0028 ( 2716 PWs) bands (ev): -45.9450 -45.9450 -22.6896 -22.6896 -22.0564 -22.0564 -22.0180 -22.0180 -14.1984 -14.1984 -6.1490 -6.1490 -5.7890 -5.7890 -5.7698 -5.7698 -0.8356 -0.8356 0.9005 0.9005 1.2532 1.2532 6.1501 6.1501 6.3387 6.3387 6.6424 6.6424 7.6258 7.6258 7.6306 7.6306 8.7220 8.7220 9.3917 9.3917 9.5361 9.5361 10.2352 10.2352 14.1687 14.1687 14.1887 14.1887 14.5261 14.5261 15.3916 15.3916 k = 0.5000 0.4986-0.0028 ( 2716 PWs) bands (ev): -45.9450 -45.9450 -22.6896 -22.6896 -22.0564 -22.0564 -22.0180 -22.0180 -14.1984 -14.1984 -6.1490 -6.1490 -5.7890 -5.7890 -5.7698 -5.7698 -0.8356 -0.8356 0.9005 0.9005 1.2532 1.2532 6.1501 6.1501 6.3387 6.3387 6.6424 6.6424 7.6258 7.6258 7.6306 7.6306 8.7220 8.7220 9.3917 9.3917 9.5361 9.5361 10.2352 10.2352 14.1687 14.1687 14.1887 14.1887 14.5261 14.5261 15.3916 15.3916 k = 0.5000 0.4986 0.0096 ( 2716 PWs) bands (ev): -45.9450 -45.9450 -22.6896 -22.6896 -22.0564 -22.0564 -22.0181 -22.0180 -14.1983 -14.1983 -6.1483 -6.1482 -5.7889 -5.7885 -5.7696 -5.7695 -0.8385 -0.8348 0.8993 0.8993 1.2487 1.2536 6.1498 6.1505 6.3414 6.3418 6.6424 6.6424 7.6257 7.6269 7.6316 7.6318 8.7174 8.7178 9.3927 9.3929 9.5366 9.5369 10.2353 10.2353 14.1685 14.1699 14.1891 14.1892 14.5264 14.5264 15.3962 15.3975 k = 0.5001 0.4987 0.0221 ( 2722 PWs) bands (ev): -45.9450 -45.9450 -22.6898 -22.6896 -22.0564 -22.0564 -22.0184 -22.0182 -14.1980 -14.1980 -6.1461 -6.1458 -5.7883 -5.7875 -5.7689 -5.7688 -0.8435 -0.8361 0.8956 0.8957 1.2401 1.2498 6.1496 6.1510 6.3497 6.3505 6.6424 6.6424 7.6266 7.6289 7.6349 7.6353 8.7042 8.7050 9.3961 9.3965 9.5384 9.5391 10.2356 10.2356 14.1694 14.1722 14.1902 14.1906 14.5274 14.5275 15.4111 15.4135 k = 0.5001 0.4987 0.0345 ( 2722 PWs) bands (ev): -45.9449 -45.9449 -22.6899 -22.6897 -22.0564 -22.0563 -22.0187 -22.0184 -14.1975 -14.1975 -6.1423 -6.1419 -5.7872 -5.7860 -5.7678 -5.7677 -0.8505 -0.8394 0.8897 0.8898 1.2276 1.2420 6.1496 6.1515 6.3636 6.3648 6.6424 6.6424 7.6283 7.6319 7.6405 7.6411 8.6826 8.6838 9.4017 9.4023 9.5416 9.5425 10.2361 10.2361 14.1710 14.1754 14.1925 14.1932 14.5292 14.5294 15.4359 15.4395 k = 0.5001 0.4987 0.0469 ( 2724 PWs) bands (ev): -45.9449 -45.9449 -22.6901 -22.6898 -22.0563 -22.0563 -22.0191 -22.0188 -14.1968 -14.1968 -6.1370 -6.1365 -5.7855 -5.7839 -5.7662 -5.7661 -0.8595 -0.8449 0.8814 0.8816 1.2112 1.2302 6.1497 6.1520 6.3829 6.3846 6.6424 6.6424 7.6309 7.6357 7.6483 7.6490 8.6531 8.6545 9.4094 9.4103 9.5461 9.5473 10.2368 10.2368 14.1732 14.1792 14.1961 14.1975 14.5317 14.5319 15.4703 15.4748 k = 0.5002 0.4988 0.0594 ( 2730 PWs) bands (ev): -45.9449 -45.9449 -22.6903 -22.6899 -22.0563 -22.0563 -22.0197 -22.0193 -14.1959 -14.1959 -6.1303 -6.1296 -5.7833 -5.7814 -5.7643 -5.7641 -0.8705 -0.8523 0.8709 0.8711 1.1912 1.2146 6.1499 6.1525 6.4076 6.4097 6.6424 6.6425 7.6342 7.6403 7.6580 7.6589 8.6162 8.6179 9.4193 9.4204 9.5519 9.5533 10.2376 10.2376 14.1761 14.1833 14.2017 14.2035 14.5349 14.5351 15.5136 15.5189 k = 0.5002 0.4988 0.0718 ( 2734 PWs) bands (ev): -45.9449 -45.9449 -22.6906 -22.6901 -22.0563 -22.0563 -22.0204 -22.0198 -14.1948 -14.1948 -6.1221 -6.1213 -5.7806 -5.7783 -5.7618 -5.7617 -0.8832 -0.8617 0.8582 0.8585 1.1677 1.1954 6.1501 6.1528 6.4373 6.4398 6.6424 6.6425 7.6382 7.6455 7.6696 7.6707 8.5727 8.5744 9.4311 9.4326 9.5590 9.5606 10.2387 10.2387 14.1797 14.1878 14.2094 14.2114 14.5388 14.5390 15.5650 15.5710 k = 0.5002 0.4988 0.0842 ( 2737 PWs) bands (ev): -45.9449 -45.9449 -22.6908 -22.6903 -22.0562 -22.0562 -22.0211 -22.0205 -14.1936 -14.1936 -6.1125 -6.1116 -5.7774 -5.7747 -5.7590 -5.7588 -0.8978 -0.8730 0.8435 0.8438 1.1412 1.1728 6.1503 6.1531 6.4719 6.4745 6.6425 6.6426 7.6425 7.6513 7.6828 7.6841 8.5231 8.5248 9.4449 9.4467 9.5675 9.5693 10.2399 10.2399 14.1843 14.1929 14.2190 14.2211 14.5433 14.5435 15.6236 15.6302 k = 0.5003 0.4989 0.0967 ( 2736 PWs) bands (ev): -45.9449 -45.9449 -22.6911 -22.6906 -22.0562 -22.0561 -22.0220 -22.0213 -14.1922 -14.1922 -6.1016 -6.1005 -5.7737 -5.7706 -5.7558 -5.7556 -0.9140 -0.8861 0.8268 0.8272 1.1117 1.1471 6.1504 6.1532 6.5110 6.5136 6.6425 6.6428 7.6472 7.6574 7.6973 7.6989 8.4683 8.4700 9.4607 9.4628 9.5774 9.5792 10.2414 10.2414 14.1900 14.1989 14.2305 14.2324 14.5485 14.5487 15.6887 15.6957 k = 0.5003 0.4989 0.1091 ( 2739 PWs) bands (ev): -45.9448 -45.9448 -22.6915 -22.6908 -22.0561 -22.0561 -22.0229 -22.0221 -14.1906 -14.1906 -6.0894 -6.0881 -5.7696 -5.7661 -5.7522 -5.7519 -0.9318 -0.9009 0.8083 0.8088 1.0797 1.1184 6.1505 6.1533 6.5542 6.5563 6.6426 6.6432 7.6518 7.6636 7.7128 7.7147 8.4094 8.4108 9.4783 9.4807 9.5887 9.5906 10.2429 10.2430 14.1971 14.2060 14.2435 14.2453 14.5543 14.5545 15.7592 15.7665 k = 0.5003 0.4990 0.1215 ( 2738 PWs) bands (ev): -45.9448 -45.9448 -22.6918 -22.6911 -22.0561 -22.0560 -22.0239 -22.0230 -14.1888 -14.1888 -6.0759 -6.0745 -5.7650 -5.7612 -5.7482 -5.7480 -0.9510 -0.9174 0.7882 0.7887 1.0455 1.0872 6.1505 6.1532 6.6010 6.6017 6.6429 6.6446 7.6562 7.6696 7.7289 7.7312 8.3472 8.3483 9.4978 9.5005 9.6014 9.6033 10.2447 10.2447 14.2057 14.2145 14.2580 14.2597 14.5607 14.5609 15.8343 15.8417 k = 0.5004 0.4990 0.1340 ( 2736 PWs) bands (ev): -45.9448 -45.9448 -22.6922 -22.6915 -22.0560 -22.0559 -22.0249 -22.0240 -14.1869 -14.1869 -6.0612 -6.0597 -5.7600 -5.7559 -5.7439 -5.7436 -0.9715 -0.9354 0.7664 0.7670 1.0092 1.0538 6.1504 6.1529 6.6365 6.6413 6.6530 6.6596 7.6598 7.6748 7.7452 7.7480 8.2831 8.2837 9.5192 9.5222 9.6157 9.6176 10.2465 10.2466 14.2157 14.2243 14.2739 14.2754 14.5677 14.5678 15.9130 15.9205 k = 0.5004 0.4990 0.1464 ( 2734 PWs) bands (ev): -45.9448 -45.9448 -22.6926 -22.6918 -22.0559 -22.0558 -22.0260 -22.0251 -14.1849 -14.1849 -6.0455 -6.0439 -5.7546 -5.7501 -5.7392 -5.7390 -0.9931 -0.9547 0.7434 0.7440 0.9714 1.0183 6.1501 6.1525 6.6408 6.6425 6.7051 6.7077 7.6620 7.6786 7.7611 7.7645 8.2185 8.2188 9.5424 9.5457 9.6315 9.6334 10.2486 10.2487 14.2272 14.2355 14.2910 14.2924 14.5752 14.5753 15.9943 16.0019 k = 0.5005 0.4991 0.1588 ( 2734 PWs) bands (ev): -45.9447 -45.9447 -22.6931 -22.6922 -22.0558 -22.0558 -22.0272 -22.0262 -14.1828 -14.1828 -6.0288 -6.0270 -5.7489 -5.7441 -5.7342 -5.7340 -1.0158 -0.9754 0.7191 0.7198 0.9323 0.9812 6.1496 6.1520 6.6416 6.6427 6.7606 6.7614 7.6618 7.6796 7.7759 7.7798 8.1550 8.1566 9.5674 9.5709 9.6489 9.6508 10.2507 10.2508 14.2402 14.2482 14.3093 14.3105 14.5832 14.5832 16.0774 16.0850 k = 0.5005 0.4991 0.1712 ( 2730 PWs) bands (ev): -45.9447 -45.9447 -22.6935 -22.6926 -22.0557 -22.0557 -22.0284 -22.0273 -14.1805 -14.1805 -6.0112 -6.0092 -5.7429 -5.7377 -5.7290 -5.7288 -1.0394 -0.9971 0.6937 0.6945 0.8922 0.9428 6.1490 6.1512 6.6420 6.6429 6.8172 6.8181 7.6575 7.6759 7.7886 7.7929 8.0961 8.0997 9.5942 9.5978 9.6679 9.6698 10.2530 10.2531 14.2546 14.2622 14.3286 14.3297 14.5916 14.5916 16.1612 16.1688 k = 0.5005 0.4991 0.1837 ( 2728 PWs) bands (ev): -45.9447 -45.9447 -22.6940 -22.6930 -22.0556 -22.0556 -22.0297 -22.0286 -14.1782 -14.1782 -5.9927 -5.9907 -5.7366 -5.7310 -5.7235 -5.7233 -1.0637 -1.0198 0.6675 0.6684 0.8513 0.9033 6.1481 6.1502 6.6424 6.6432 6.8742 6.8771 7.6465 7.6642 7.7988 7.8025 8.0462 8.0523 9.6226 9.6264 9.6886 9.6905 10.2553 10.2555 14.2704 14.2775 14.3488 14.3499 14.6003 14.6004 16.2448 16.2524 k = 0.5006 0.4992 0.1961 ( 2726 PWs) bands (ev): -45.9446 -45.9446 -22.6944 -22.6935 -22.0555 -22.0555 -22.0310 -22.0299 -14.1757 -14.1757 -5.9736 -5.9714 -5.7301 -5.7241 -5.7177 -5.7177 -1.0886 -1.0434 0.6405 0.6416 0.8101 0.8630 6.1469 6.1488 6.6427 6.6434 6.9320 6.9371 7.6255 7.6407 7.8063 7.8076 8.0099 8.0186 9.6525 9.6564 9.7110 9.7128 10.2578 10.2581 14.2873 14.2940 14.3700 14.3709 14.6093 14.6095 16.3272 16.3348 k = 0.5006 0.4992 0.2085 ( 2732 PWs) bands (ev): -45.9446 -45.9446 -22.6949 -22.6940 -22.0555 -22.0554 -22.0324 -22.0312 -14.1732 -14.1732 -5.9539 -5.9515 -5.7234 -5.7170 -5.7118 -5.7117 -1.1139 -1.0677 0.6131 0.6143 0.7687 0.8223 6.1453 6.1472 6.6430 6.6436 6.9898 6.9975 7.5916 7.6032 7.8089 7.8123 7.9899 8.0001 9.6839 9.6878 9.7350 9.7368 10.2603 10.2606 14.3054 14.3116 14.3918 14.3927 14.6187 14.6189 16.4074 16.4150 k = 0.5006 0.4992 0.2210 ( 2726 PWs) bands (ev): -45.9445 -45.9445 -22.6954 -22.6944 -22.0553 -22.0553 -22.0338 -22.0325 -14.1707 -14.1707 -5.9336 -5.9311 -5.7165 -5.7097 -5.7057 -5.7055 -1.1394 -1.0925 0.5853 0.5866 0.7274 0.7813 6.1434 6.1451 6.6433 6.6439 7.0473 7.0578 7.5449 7.5530 7.8090 7.8184 7.9839 7.9943 9.7166 9.7205 9.7606 9.7624 10.2628 10.2633 14.3244 14.3301 14.4143 14.4151 14.6283 14.6286 16.4843 16.4921 k = 0.5007 0.4993 0.2334 ( 2728 PWs) bands (ev): -45.9445 -45.9445 -22.6959 -22.6949 -22.0553 -22.0552 -22.0352 -22.0339 -14.1681 -14.1681 -5.9130 -5.9103 -5.7096 -5.7024 -5.6995 -5.6992 -1.1650 -1.1176 0.5573 0.5587 0.6866 0.7404 6.1410 6.1426 6.6436 6.6442 7.1036 7.1173 7.4885 7.4941 7.8102 7.8257 7.9870 7.9970 9.7504 9.7543 9.7877 9.7895 10.2655 10.2660 14.3442 14.3495 14.4373 14.4381 14.6381 14.6384 16.5569 16.5651 k = 0.5007 0.4993 0.2458 ( 2728 PWs) bands (ev): -45.9445 -45.9445 -22.6965 -22.6954 -22.0552 -22.0551 -22.0365 -22.0353 -14.1655 -14.1655 -5.8922 -5.8893 -5.7027 -5.6951 -5.6931 -5.6926 -1.1906 -1.1430 0.5293 0.5309 0.6463 0.6997 6.1381 6.1395 6.6439 6.6445 7.1578 7.1750 7.4266 7.4308 7.8134 7.8345 7.9952 8.0045 9.7851 9.7890 9.8162 9.8180 10.2681 10.2687 14.3646 14.3695 14.4606 14.4614 14.6480 14.6484 16.6243 16.6331 k = 0.5007 0.4993 0.2583 ( 2728 PWs) bands (ev): -45.9444 -45.9444 -22.6970 -22.6960 -22.0551 -22.0550 -22.0379 -22.0366 -14.1629 -14.1629 -5.8712 -5.8682 -5.6958 -5.6882 -5.6863 -5.6859 -1.2160 -1.1685 0.5014 0.5032 0.6068 0.6595 6.1345 6.1358 6.6443 6.6448 7.2076 7.2286 7.3641 7.3676 7.8187 7.8447 8.0058 8.0144 9.8206 9.8244 9.8459 9.8478 10.2707 10.2715 14.3856 14.3901 14.4843 14.4850 14.6580 14.6585 16.6857 16.6951 k = 0.5008 0.4994 0.2707 ( 2728 PWs) bands (ev): -45.9444 -45.9444 -22.6975 -22.6965 -22.0550 -22.0549 -22.0392 -22.0380 -14.1603 -14.1603 -5.8503 -5.8471 -5.6890 -5.6816 -5.6791 -5.6790 -1.2410 -1.1939 0.4739 0.4758 0.5683 0.6200 6.1303 6.1315 6.6447 6.6452 7.2393 7.2580 7.3197 7.3229 7.8260 7.8562 8.0174 8.0255 9.8566 9.8602 9.8768 9.8787 10.2734 10.2742 14.4070 14.4110 14.5081 14.5088 14.6680 14.6686 16.7402 16.7506 k = 0.5008 0.4994 0.2831 ( 2740 PWs) bands (ev): -45.9444 -45.9444 -22.6980 -22.6970 -22.0550 -22.0548 -22.0406 -22.0393 -14.1577 -14.1577 -5.8295 -5.8261 -5.6823 -5.6752 -5.6722 -5.6717 -1.2654 -1.2190 0.4468 0.4489 0.5311 0.5814 6.1253 6.1264 6.6450 6.6455 7.2084 7.2138 7.3326 7.3531 7.8351 7.8692 8.0292 8.0369 9.8927 9.8962 9.9085 9.9106 10.2760 10.2770 14.4284 14.4321 14.5319 14.5326 14.6781 14.6788 16.7875 16.7991 k = 0.5008 0.4994 0.2955 ( 2736 PWs) bands (ev): -45.9443 -45.9443 -22.6985 -22.6975 -22.0549 -22.0548 -22.0419 -22.0406 -14.1552 -14.1552 -5.8090 -5.8054 -5.6759 -5.6689 -5.6653 -5.6644 -1.2893 -1.2438 0.4204 0.4227 0.4952 0.5439 6.1194 6.1204 6.6454 6.6459 7.1497 7.1524 7.3721 7.3989 7.8461 7.8835 8.0408 8.0482 9.9287 9.9320 9.9411 9.9432 10.2786 10.2797 14.4499 14.4533 14.5556 14.5562 14.6881 14.6888 16.8274 16.8404 k = 0.5009 0.4995 0.3080 ( 2732 PWs) bands (ev): -45.9443 -45.9443 -22.6990 -22.6980 -22.0548 -22.0547 -22.0431 -22.0419 -14.1527 -14.1527 -5.7890 -5.7850 -5.6696 -5.6628 -5.6584 -5.6571 -1.3123 -1.2681 0.3947 0.3973 0.4609 0.5077 6.1127 6.1135 6.6458 6.6462 7.0894 7.0913 7.4124 7.4431 7.8591 7.8992 8.0518 8.0589 9.9643 9.9671 9.9745 9.9764 10.2811 10.2824 14.4713 14.4743 14.5791 14.5797 14.6980 14.6988 16.8600 16.8747 k = 0.5009 0.4995 0.3204 ( 2740 PWs) bands (ev): -45.9442 -45.9442 -22.6995 -22.6986 -22.0548 -22.0546 -22.0443 -22.0431 -14.1503 -14.1503 -5.7695 -5.7653 -5.6636 -5.6567 -5.6516 -5.6501 -1.3344 -1.2917 0.3700 0.3728 0.4282 0.4728 6.1050 6.1057 6.6462 6.6466 7.0312 7.0328 7.4500 7.4834 7.8744 7.9162 8.0620 8.0691 9.9992 10.0012 10.0083 10.0100 10.2835 10.2850 14.4922 14.4949 14.6021 14.6027 14.7079 14.7087 16.8859 16.9023 k = 0.5009 0.4995 0.3328 ( 2738 PWs) bands (ev): -45.9442 -45.9442 -22.6999 -22.6990 -22.0547 -22.0546 -22.0455 -22.0443 -14.1480 -14.1480 -5.7508 -5.7462 -5.6578 -5.6508 -5.6449 -5.6433 -1.3554 -1.3145 0.3464 0.3493 0.3973 0.4395 6.0964 6.0970 6.6465 6.6469 6.9764 6.9777 7.4841 7.5191 7.8919 7.9344 8.0715 8.0785 10.0330 10.0343 10.0422 10.0435 10.2859 10.2876 14.5127 14.5151 14.6247 14.6252 14.7175 14.7184 16.9058 16.9239 k = 0.5010 0.4996 0.3453 ( 2741 PWs) bands (ev): -45.9442 -45.9442 -22.7003 -22.6995 -22.0547 -22.0545 -22.0466 -22.0454 -14.1458 -14.1458 -5.7329 -5.7279 -5.6522 -5.6451 -5.6384 -5.6368 -1.3753 -1.3363 0.3239 0.3271 0.3684 0.4080 6.0868 6.0873 6.6469 6.6473 6.9255 6.9267 7.5143 7.5499 7.9117 7.9537 8.0801 8.0871 10.0657 10.0662 10.0755 10.0765 10.2882 10.2901 14.5324 14.5345 14.6465 14.6470 14.7269 14.7278 16.9206 16.9405 k = 0.5010 0.4996 0.3577 ( 2746 PWs) bands (ev): -45.9441 -45.9441 -22.7008 -22.7000 -22.0547 -22.0545 -22.0476 -22.0465 -14.1437 -14.1437 -5.7160 -5.7106 -5.6469 -5.6395 -5.6321 -5.6306 -1.3939 -1.3571 0.3028 0.3062 0.3414 0.3782 6.0764 6.0768 6.6473 6.6476 6.8789 6.8800 7.5407 7.5758 7.9333 7.9736 8.0878 8.0950 10.0970 10.0970 10.1076 10.1086 10.2903 10.2925 14.5512 14.5531 14.6675 14.6680 14.7361 14.7370 16.9312 16.9528 k = 0.5010 0.4996 0.3701 ( 2746 PWs) bands (ev): -45.9441 -45.9441 -22.7011 -22.7004 -22.0546 -22.0545 -22.0485 -22.0475 -14.1418 -14.1417 -5.7003 -5.6944 -5.6419 -5.6340 -5.6262 -5.6248 -1.4110 -1.3768 0.2832 0.2867 0.3166 0.3503 6.0653 6.0656 6.6476 6.6479 6.8369 6.8378 7.5634 7.5970 7.9562 7.9938 8.0948 8.1021 10.1265 10.1269 10.1383 10.1392 10.2923 10.2948 14.5689 14.5706 14.6875 14.6880 14.7450 14.7459 16.9387 16.9618 k = 0.5011 0.4997 0.3826 ( 2750 PWs) bands (ev): -45.9441 -45.9441 -22.7015 -22.7008 -22.0547 -22.0545 -22.0493 -22.0484 -14.1399 -14.1399 -5.6859 -5.6795 -5.6372 -5.6288 -5.6206 -5.6194 -1.4267 -1.3951 0.2651 0.2687 0.2939 0.3245 6.0537 6.0539 6.6479 6.6482 6.7995 6.8003 7.5828 7.6140 7.9798 8.0137 8.1009 8.1086 10.1542 10.1551 10.1671 10.1682 10.2942 10.2971 14.5854 14.5869 14.7063 14.7068 14.7536 14.7544 16.9439 16.9682 k = 0.5011 0.4997 0.3950 ( 2748 PWs) bands (ev): -45.9441 -45.9441 -22.7018 -22.7012 -22.0547 -22.0545 -22.0500 -22.0492 -14.1383 -14.1383 -5.6730 -5.6660 -5.6326 -5.6236 -5.6153 -5.6144 -1.4408 -1.4121 0.2488 0.2524 0.2735 0.3008 6.0419 6.0420 6.6482 6.6484 6.7667 6.7674 7.5991 7.6275 8.0032 8.0327 8.1063 8.1144 10.1801 10.1813 10.1937 10.1950 10.2960 10.2993 14.6006 14.6019 14.7238 14.7242 14.7618 14.7626 16.9476 16.9727 k = 0.5011 0.4997 0.4074 ( 2750 PWs) bands (ev): -45.9440 -45.9440 -22.7021 -22.7015 -22.0547 -22.0546 -22.0506 -22.0499 -14.1368 -14.1368 -5.6617 -5.6542 -5.6282 -5.6187 -5.6105 -5.6099 -1.4533 -1.4276 0.2343 0.2378 0.2553 0.2794 6.0302 6.0303 6.6485 6.6487 6.7383 6.7389 7.6128 7.6380 8.0258 8.0504 8.1111 8.1197 10.2036 10.2053 10.2179 10.2194 10.2977 10.3014 14.6142 14.6153 14.7398 14.7402 14.7694 14.7702 16.9505 16.9759 k = 0.5012 0.4998 0.4199 ( 2753 PWs) bands (ev): -45.9440 -45.9440 -22.7023 -22.7018 -22.0548 -22.0547 -22.0511 -22.0505 -14.1354 -14.1354 -5.6521 -5.6444 -5.6236 -5.6140 -5.6061 -5.6058 -1.4640 -1.4415 0.2217 0.2250 0.2394 0.2602 6.0189 6.0190 6.6487 6.6489 6.7144 6.7148 7.6242 7.6459 8.0467 8.0662 8.1152 8.1245 10.2246 10.2267 10.2394 10.2412 10.2993 10.3036 14.6262 14.6272 14.7541 14.7544 14.7766 14.7772 16.9532 16.9780 k = 0.5012 0.4998 0.4323 ( 2760 PWs) bands (ev): -45.9440 -45.9440 -22.7025 -22.7021 -22.0550 -22.0549 -22.0515 -22.0510 -14.1343 -14.1343 -5.6442 -5.6370 -5.6188 -5.6096 -5.6022 -5.6022 -1.4730 -1.4538 0.2111 0.2140 0.2258 0.2434 6.0085 6.0085 6.6489 6.6491 6.6945 6.6949 7.6336 7.6518 8.0654 8.0797 8.1189 8.1288 10.2427 10.2453 10.2580 10.2600 10.3010 10.3058 14.6365 14.6373 14.7665 14.7668 14.7830 14.7836 16.9562 16.9791 k = 0.5012 0.4999 0.4447 ( 2770 PWs) bands (ev): -45.9440 -45.9440 -22.7027 -22.7024 -22.0551 -22.0551 -22.0518 -22.0514 -14.1333 -14.1333 -5.6380 -5.6318 -5.6139 -5.6059 -5.5990 -5.5988 -1.4801 -1.4644 0.2026 0.2050 0.2146 0.2289 5.9993 5.9993 6.6491 6.6492 6.6785 6.6788 7.6412 7.6560 8.0814 8.0906 8.1223 8.1327 10.2577 10.2607 10.2733 10.2754 10.3029 10.3083 14.6450 14.6457 14.7769 14.7770 14.7888 14.7892 16.9597 16.9788 k = 0.5013 0.4999 0.4571 ( 2780 PWs) bands (ev): -45.9440 -45.9440 -22.7029 -22.7026 -22.0553 -22.0552 -22.0521 -22.0517 -14.1326 -14.1326 -5.6332 -5.6285 -5.6092 -5.6030 -5.5961 -5.5960 -1.4854 -1.4732 0.1963 0.1979 0.2057 0.2170 5.9916 5.9916 6.6492 6.6493 6.6662 6.6664 7.6474 7.6587 8.0941 8.0989 8.1257 8.1358 10.2694 10.2727 10.2851 10.2870 10.3056 10.3109 14.6518 14.6523 14.7850 14.7850 14.7938 14.7941 16.9636 16.9768 k = 0.5013 0.4999 0.4696 ( 2800 PWs) bands (ev): -45.9440 -45.9440 -22.7031 -22.7029 -22.0555 -22.0555 -22.0522 -22.0520 -14.1320 -14.1320 -5.6298 -5.6265 -5.6054 -5.6011 -5.5938 -5.5937 -1.4888 -1.4802 0.1920 0.1929 0.1993 0.2076 5.9857 5.9858 6.6493 6.6494 6.6574 6.6575 7.6522 7.6601 8.1030 8.1048 8.1293 8.1379 10.2778 10.2809 10.2935 10.2945 10.3093 10.3135 14.6568 14.6572 14.7906 14.7906 14.7979 14.7980 16.9671 16.9731 k = 0.5014 0.5000 0.4820 ( 2800 PWs) bands (ev): -45.9440 -45.9440 -22.7031 -22.7030 -22.0556 -22.0556 -22.0523 -22.0521 -14.1317 -14.1317 -5.6275 -5.6256 -5.6026 -5.6002 -5.5922 -5.5921 -1.4902 -1.4853 0.1896 0.1898 0.1957 0.2007 5.9819 5.9820 6.6493 6.6494 6.6519 6.6520 7.6558 7.6603 8.1081 8.1085 8.1329 8.1385 10.2831 10.2853 10.2985 10.2987 10.3132 10.3156 14.6600 14.6602 14.7939 14.7940 14.8008 14.8008 16.9684 16.9694 k = 0.5014 0.5000 0.4944 ( 2800 PWs) bands (ev): -45.9440 -45.9440 -22.7031 -22.7031 -22.0556 -22.0556 -22.0523 -22.0522 -14.1315 -14.1315 -5.6261 -5.6257 -5.6010 -5.6004 -5.5914 -5.5914 -1.4898 -1.4885 0.1885 0.1885 0.1953 0.1966 5.9804 5.9804 6.6490 6.6490 6.6500 6.6500 7.6583 7.6594 8.1101 8.1101 8.1359 8.1373 10.2858 10.2863 10.3005 10.3005 10.3156 10.3162 14.6614 14.6614 14.7953 14.7953 14.8021 14.8021 16.9677 16.9679 k = 0.5014 0.5000 0.4944 ( 2800 PWs) bands (ev): -45.9440 -45.9440 -22.7031 -22.7031 -22.0556 -22.0556 -22.0523 -22.0522 -14.1315 -14.1315 -5.6261 -5.6257 -5.6010 -5.6004 -5.5914 -5.5914 -1.4898 -1.4885 0.1885 0.1885 0.1953 0.1966 5.9804 5.9804 6.6490 6.6490 6.6500 6.6500 7.6583 7.6594 8.1101 8.1101 8.1359 8.1373 10.2858 10.2863 10.3005 10.3005 10.3156 10.3162 14.6614 14.6614 14.7953 14.7953 14.8021 14.8021 16.9678 16.9678 k = 0.5000 0.4986 0.4972 ( 2800 PWs) bands (ev): -45.9440 -45.9440 -22.7031 -22.7031 -22.0556 -22.0556 -22.0522 -22.0522 -14.1315 -14.1315 -5.6259 -5.6259 -5.6006 -5.6006 -5.5914 -5.5914 -1.4892 -1.4892 0.1885 0.1885 0.1959 0.1959 5.9803 5.9803 6.6489 6.6489 6.6499 6.6499 7.6589 7.6589 8.1102 8.1102 8.1366 8.1366 10.2861 10.2861 10.3006 10.3006 10.3160 10.3160 14.6615 14.6615 14.7953 14.7953 14.8022 14.8022 16.9677 16.9677 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9460 -45.9460 -22.6757 -22.6757 -22.0400 -22.0400 -22.0025 -22.0025 -14.2746 -14.2746 -6.7329 -6.7329 -5.7952 -5.7952 -5.5402 -5.5402 -0.7208 -0.7208 1.1718 1.1718 1.3299 1.3299 6.4275 6.4275 7.6372 7.6372 7.6552 7.6552 8.2229 8.2229 8.2786 8.2786 8.5979 8.5979 8.7153 8.7153 9.3897 9.3897 9.5157 9.5157 12.8512 12.8512 14.1020 14.1020 14.2009 14.2009 14.7762 14.7762 k = 0.5000 0.0075 0.0075 ( 2752 PWs) bands (ev): -45.9460 -45.9460 -22.6758 -22.6757 -22.0401 -22.0400 -22.0026 -22.0026 -14.2745 -14.2745 -6.7321 -6.7321 -5.7950 -5.7950 -5.5406 -5.5405 -0.7211 -0.7209 1.1717 1.1717 1.3293 1.3293 6.4269 6.4275 7.6370 7.6378 7.6542 7.6551 8.2122 8.2158 8.2733 8.2737 8.6036 8.6041 8.7235 8.7240 9.3865 9.3873 9.5141 9.5142 12.8533 12.8534 14.1018 14.1023 14.2002 14.2012 14.7792 14.7801 k = 0.5001 0.0164 0.0164 ( 2750 PWs) bands (ev): -45.9460 -45.9460 -22.6758 -22.6757 -22.0401 -22.0400 -22.0027 -22.0027 -14.2741 -14.2741 -6.7299 -6.7298 -5.7946 -5.7946 -5.5417 -5.5416 -0.7218 -0.7213 1.1713 1.1713 1.3274 1.3275 6.4257 6.4269 7.6368 7.6386 7.6524 7.6540 8.1848 8.1918 8.2595 8.2604 8.6203 8.6211 8.7469 8.7477 9.3778 9.3794 9.5095 9.5097 12.8598 12.8599 14.1017 14.1025 14.1991 14.2011 14.7888 14.7905 k = 0.5001 0.0253 0.0252 ( 2750 PWs) bands (ev): -45.9460 -45.9460 -22.6760 -22.6758 -22.0402 -22.0400 -22.0029 -22.0029 -14.2735 -14.2735 -6.7261 -6.7260 -5.7939 -5.7939 -5.5435 -5.5433 -0.7228 -0.7221 1.1706 1.1706 1.3243 1.3245 6.4240 6.4258 7.6360 7.6395 7.6501 7.6519 8.1441 8.1539 8.2406 8.2418 8.6458 8.6466 8.7814 8.7824 9.3636 9.3660 9.5021 9.5023 12.8705 12.8706 14.1015 14.1028 14.1977 14.2007 14.8050 14.8076 k = 0.5002 0.0342 0.0341 ( 2752 PWs) bands (ev): -45.9460 -45.9460 -22.6762 -22.6759 -22.0403 -22.0401 -22.0032 -22.0032 -14.2727 -14.2727 -6.7209 -6.7207 -5.7929 -5.7929 -5.5460 -5.5457 -0.7243 -0.7233 1.1695 1.1696 1.3201 1.3204 6.4217 6.4241 7.6335 7.6398 7.6484 7.6493 8.0943 8.1065 8.2189 8.2202 8.6778 8.6784 8.8230 8.8239 9.3441 9.3473 9.4919 9.4922 12.8853 12.8856 14.1015 14.1031 14.1961 14.1999 14.8277 14.8309 k = 0.5002 0.0431 0.0430 ( 2754 PWs) bands (ev): -45.9459 -45.9459 -22.6764 -22.6761 -22.0405 -22.0401 -22.0036 -22.0036 -14.2717 -14.2717 -6.7142 -6.7139 -5.7917 -5.7917 -5.5492 -5.5488 -0.7262 -0.7249 1.1678 1.1679 1.3149 1.3154 6.4190 6.4219 7.6278 7.6376 7.6479 7.6481 8.0391 8.0535 8.1959 8.1972 8.7144 8.7148 8.8687 8.8692 9.3195 9.3234 9.4793 9.4796 12.9042 12.9045 14.1017 14.1036 14.1946 14.1991 14.8565 14.8604 k = 0.5003 0.0520 0.0519 ( 2755 PWs) bands (ev): -45.9459 -45.9459 -22.6766 -22.6763 -22.0406 -22.0403 -22.0040 -22.0040 -14.2704 -14.2704 -6.7060 -6.7056 -5.7901 -5.7901 -5.5530 -5.5525 -0.7286 -0.7270 1.1654 1.1656 1.3088 1.3095 6.4158 6.4193 7.6189 7.6312 7.6486 7.6490 7.9810 7.9977 8.1725 8.1736 8.7546 8.7547 8.9162 8.9162 9.2900 9.2947 9.4645 9.4648 12.9270 12.9273 14.1021 14.1043 14.1931 14.1982 14.8913 14.8956 k = 0.5003 0.0609 0.0608 ( 2747 PWs) bands (ev): -45.9459 -45.9459 -22.6769 -22.6765 -22.0408 -22.0403 -22.0045 -22.0045 -14.2690 -14.2689 -6.6963 -6.6959 -5.7883 -5.7883 -5.5573 -5.5568 -0.7316 -0.7296 1.1620 1.1624 1.3019 1.3031 6.4122 6.4162 7.6065 7.6214 7.6501 7.6503 7.9223 7.9414 8.1494 8.1503 8.7972 8.7973 8.9636 8.9643 9.2559 9.2616 9.4479 9.4481 12.9534 12.9538 14.1028 14.1054 14.1919 14.1975 14.9316 14.9363 k = 0.5004 0.0698 0.0696 ( 2751 PWs) bands (ev): -45.9459 -45.9459 -22.6772 -22.6768 -22.0410 -22.0405 -22.0051 -22.0051 -14.2673 -14.2673 -6.6852 -6.6848 -5.7863 -5.7863 -5.5622 -5.5616 -0.7353 -0.7327 1.1573 1.1579 1.2945 1.2964 6.4083 6.4128 7.5900 7.6075 7.6515 7.6517 7.8651 7.8867 8.1270 8.1278 8.8418 8.8421 9.0102 9.0121 9.2176 9.2246 9.4299 9.4301 12.9833 12.9838 14.1039 14.1068 14.1910 14.1970 14.9771 14.9821 k = 0.5004 0.0787 0.0785 ( 2748 PWs) bands (ev): -45.9459 -45.9459 -22.6776 -22.6771 -22.0412 -22.0406 -22.0057 -22.0057 -14.2654 -14.2654 -6.6727 -6.6722 -5.7839 -5.7839 -5.5676 -5.5669 -0.7396 -0.7365 1.1511 1.1520 1.2867 1.2894 6.4042 6.4090 7.5684 7.5883 7.6525 7.6530 7.8120 7.8357 8.1058 8.1063 8.8878 8.8883 9.0542 9.0584 9.1761 9.1853 9.4110 9.4111 13.0165 13.0170 14.1056 14.1087 14.1906 14.1969 15.0276 15.0328 k = 0.5005 0.0876 0.0874 ( 2750 PWs) bands (ev): -45.9458 -45.9458 -22.6780 -22.6775 -22.0414 -22.0408 -22.0065 -22.0065 -14.2633 -14.2632 -6.6588 -6.6582 -5.7814 -5.7813 -5.5733 -5.5726 -0.7447 -0.7410 1.1430 1.1444 1.2789 1.2826 6.3998 6.4050 7.5406 7.5618 7.6527 7.6536 7.7656 7.7903 8.0859 8.0862 8.9348 8.9356 9.0871 9.0969 9.1377 9.1525 9.3917 9.3918 13.0526 13.0532 14.1078 14.1111 14.1908 14.1973 15.0826 15.0879 k = 0.5005 0.0965 0.0963 ( 2749 PWs) bands (ev): -45.9458 -45.9458 -22.6784 -22.6778 -22.0417 -22.0410 -22.0073 -22.0073 -14.2610 -14.2610 -6.6435 -6.6429 -5.7785 -5.7785 -5.5795 -5.5787 -0.7506 -0.7463 1.1328 1.1347 1.2710 1.2760 6.3952 6.4008 7.5061 7.5266 7.6520 7.6532 7.7279 7.7518 8.0674 8.0675 8.9819 8.9835 9.0716 9.0731 9.1572 9.1640 9.3725 9.3728 13.0915 13.0921 14.1108 14.1142 14.1917 14.1983 15.1419 15.1473 k = 0.5006 0.1054 0.1052 ( 2746 PWs) bands (ev): -45.9458 -45.9458 -22.6789 -22.6782 -22.0420 -22.0412 -22.0081 -22.0081 -14.2585 -14.2585 -6.6269 -6.6262 -5.7755 -5.7755 -5.5858 -5.5850 -0.7573 -0.7523 1.1205 1.1230 1.2632 1.2696 6.3906 6.3964 7.4653 7.4837 7.6499 7.6516 7.6988 7.7202 8.0503 8.0505 9.0154 9.0197 9.0346 9.0397 9.1989 9.2013 9.3542 9.3549 13.1329 13.1336 14.1144 14.1181 14.1933 14.2000 15.2050 15.2105 k = 0.5006 0.1144 0.1140 ( 2744 PWs) bands (ev): -45.9457 -45.9457 -22.6794 -22.6787 -22.0422 -22.0415 -22.0091 -22.0090 -14.2558 -14.2558 -6.6090 -6.6083 -5.7722 -5.7722 -5.5924 -5.5916 -0.7650 -0.7592 1.1060 1.1091 1.2554 1.2633 6.3860 6.3920 7.4202 7.4354 7.6460 7.6482 7.6763 7.6944 8.0346 8.0351 8.9673 8.9690 9.0804 9.0806 9.2406 9.2408 9.3378 9.3394 13.1765 13.1772 14.1190 14.1227 14.1957 14.2025 15.2717 15.2772 k = 0.5007 0.1233 0.1229 ( 2744 PWs) bands (ev): -45.9457 -45.9457 -22.6799 -22.6792 -22.0425 -22.0417 -22.0101 -22.0100 -14.2530 -14.2530 -6.5899 -6.5891 -5.7687 -5.7686 -5.5992 -5.5983 -0.7737 -0.7671 1.0893 1.0932 1.2474 1.2570 6.3815 6.3875 7.3726 7.3847 7.6397 7.6424 7.6587 7.6733 8.0204 8.0212 8.9104 8.9132 9.1264 9.1269 9.2781 9.2806 9.3253 9.3288 13.2221 13.2229 14.1243 14.1282 14.1990 14.2058 15.3416 15.3470 k = 0.5007 0.1322 0.1318 ( 2748 PWs) bands (ev): -45.9456 -45.9456 -22.6805 -22.6797 -22.0428 -22.0420 -22.0111 -22.0111 -14.2500 -14.2500 -6.5696 -6.5686 -5.7649 -5.7649 -5.6060 -5.6050 -0.7834 -0.7758 1.0707 1.0752 1.2390 1.2504 6.3771 6.3831 7.3246 7.3336 7.6301 7.6328 7.6451 7.6560 8.0076 8.0086 8.8517 8.8550 9.1690 9.1700 9.3035 9.3094 9.3281 9.3347 13.2694 13.2703 14.1307 14.1346 14.2033 14.2100 15.4144 15.4198 k = 0.5008 0.1411 0.1407 ( 2744 PWs) bands (ev): -45.9456 -45.9456 -22.6810 -22.6803 -22.0432 -22.0423 -22.0122 -22.0122 -14.2469 -14.2469 -6.5481 -6.5471 -5.7610 -5.7610 -5.6128 -5.6118 -0.7941 -0.7856 1.0503 1.0553 1.2300 1.2432 6.3728 6.3786 7.2775 7.2838 7.6170 7.6197 7.6340 7.6415 7.9960 7.9973 8.7917 8.7952 9.2035 9.2049 9.3141 9.3164 9.3621 9.3649 13.3181 13.3191 14.1379 14.1419 14.2086 14.2152 15.4898 15.4951 k = 0.5008 0.1500 0.1495 ( 2744 PWs) bands (ev): -45.9456 -45.9456 -22.6817 -22.6808 -22.0435 -22.0426 -22.0134 -22.0133 -14.2436 -14.2436 -6.5255 -6.5243 -5.7569 -5.7569 -5.6196 -5.6185 -0.8059 -0.7964 1.0282 1.0339 1.2200 1.2351 6.3687 6.3743 7.2325 7.2364 7.6013 7.6053 7.6224 7.6280 7.9855 7.9870 8.7311 8.7347 9.2240 9.2256 9.3355 9.3364 9.3986 9.3999 13.3681 13.3692 14.1462 14.1503 14.2149 14.2215 15.5674 15.5726 k = 0.5009 0.1589 0.1584 ( 2746 PWs) bands (ev): -45.9455 -45.9455 -22.6823 -22.6814 -22.0439 -22.0429 -22.0146 -22.0145 -14.2402 -14.2402 -6.5018 -6.5006 -5.7526 -5.7525 -5.6262 -5.6251 -0.8187 -0.8081 1.0048 1.0109 1.2088 1.2259 6.3648 6.3701 7.1905 7.1920 7.5839 7.5900 7.6091 7.6139 7.9759 7.9776 8.6703 8.6738 9.2325 9.2339 9.3706 9.3713 9.4344 9.4349 13.4191 13.4202 14.1555 14.1596 14.2223 14.2288 15.6469 15.6520 k = 0.5009 0.1678 0.1673 ( 2748 PWs) bands (ev): -45.9455 -45.9455 -22.6830 -22.6821 -22.0442 -22.0432 -22.0159 -22.0158 -14.2367 -14.2367 -6.4771 -6.4758 -5.7482 -5.7481 -5.6326 -5.6315 -0.8326 -0.8209 0.9800 0.9866 1.1962 1.2152 6.3612 6.3659 7.1512 7.1521 7.5653 7.5740 7.5936 7.5981 7.9670 7.9688 8.6099 8.6132 9.2366 9.2378 9.4127 9.4134 9.4692 9.4692 13.4709 13.4721 14.1659 14.1699 14.2308 14.2372 15.7279 15.7330 k = 0.5010 0.1767 0.1762 ( 2746 PWs) bands (ev): -45.9454 -45.9454 -22.6836 -22.6827 -22.0446 -22.0436 -22.0171 -22.0171 -14.2331 -14.2330 -6.4515 -6.4501 -5.7436 -5.7435 -5.6387 -5.6376 -0.8476 -0.8348 0.9541 0.9612 1.1818 1.2028 6.3577 6.3618 7.1146 7.1179 7.5455 7.5570 7.5758 7.5803 7.9585 7.9605 8.5505 8.5536 9.2411 9.2421 9.4572 9.4581 9.5028 9.5032 13.5232 13.5244 14.1772 14.1813 14.2404 14.2467 15.8103 15.8152 k = 0.5010 0.1856 0.1851 ( 2746 PWs) bands (ev): -45.9454 -45.9454 -22.6843 -22.6834 -22.0450 -22.0439 -22.0184 -22.0184 -14.2293 -14.2293 -6.4250 -6.4234 -5.7388 -5.7387 -5.6445 -5.6433 -0.8636 -0.8496 0.9273 0.9348 1.1656 1.1886 6.3544 6.3578 7.0825 7.0882 7.5244 7.5388 7.5558 7.5604 7.9505 7.9526 8.4926 8.4955 9.2480 9.2487 9.5018 9.5029 9.5362 9.5367 13.5759 13.5771 14.1896 14.1937 14.2512 14.2574 15.8936 15.8984 k = 0.5011 0.1945 0.1939 ( 2740 PWs) bands (ev): -45.9453 -45.9453 -22.6850 -22.6841 -22.0453 -22.0442 -22.0197 -22.0197 -14.2255 -14.2255 -6.3976 -6.3960 -5.7340 -5.7338 -5.6500 -5.6487 -0.8807 -0.8655 0.8996 0.9075 1.1474 1.1724 6.3512 6.3538 7.0550 7.0633 7.5018 7.5192 7.5336 7.5381 7.9427 7.9449 8.4369 8.4395 9.2580 9.2586 9.5446 9.5462 9.5702 9.5707 13.6286 13.6299 14.2030 14.2070 14.2632 14.2692 15.9776 15.9823 k = 0.5011 0.2034 0.2028 ( 2742 PWs) bands (ev): -45.9453 -45.9453 -22.6858 -22.6848 -22.0457 -22.0446 -22.0211 -22.0211 -14.2217 -14.2217 -6.3695 -6.3678 -5.7291 -5.7288 -5.6550 -5.6536 -0.8987 -0.8823 0.8712 0.8794 1.1271 1.1540 6.3479 6.3497 7.0324 7.0435 7.4776 7.4976 7.5095 7.5136 7.9351 7.9373 8.3841 8.3863 9.2716 9.2721 9.5832 9.5854 9.6071 9.6075 13.6814 13.6827 14.2173 14.2213 14.2762 14.2821 16.0619 16.0665 k = 0.5012 0.2123 0.2117 ( 2740 PWs) bands (ev): -45.9452 -45.9452 -22.6865 -22.6855 -22.0461 -22.0450 -22.0225 -22.0224 -14.2177 -14.2177 -6.3407 -6.3389 -5.7240 -5.7238 -5.6595 -5.6581 -0.9176 -0.9000 0.8422 0.8508 1.1045 1.1333 6.3447 6.3456 7.0148 7.0289 7.4517 7.4736 7.4840 7.4869 7.9275 7.9298 8.3346 8.3365 9.2889 9.2892 9.6168 9.6192 9.6475 9.6478 13.7339 13.7352 14.2326 14.2365 14.2904 14.2961 16.1462 16.1507 k = 0.5012 0.2212 0.2206 ( 2736 PWs) bands (ev): -45.9451 -45.9451 -22.6872 -22.6862 -22.0465 -22.0454 -22.0239 -22.0238 -14.2138 -14.2138 -6.3113 -6.3094 -5.7190 -5.7186 -5.6634 -5.6620 -0.9374 -0.9186 0.8127 0.8216 1.0797 1.1104 6.3412 6.3413 7.0019 7.0193 7.4239 7.4467 7.4578 7.4581 7.9200 7.9223 8.2891 8.2907 9.3097 9.3099 9.6473 9.6498 9.6891 9.6896 13.7859 13.7873 14.2488 14.2527 14.3057 14.3112 16.2301 16.2345 k = 0.5013 0.2301 0.2295 ( 2737 PWs) bands (ev): -45.9451 -45.9451 -22.6880 -22.6870 -22.0468 -22.0457 -22.0253 -22.0252 -14.2098 -14.2098 -6.2814 -6.2793 -5.7139 -5.7135 -5.6668 -5.6653 -0.9580 -0.9380 0.7829 0.7921 1.0528 1.0852 6.3367 6.3374 6.9937 7.0146 7.3944 7.4168 7.4274 7.4311 7.9125 7.9147 8.2480 8.2495 9.3340 9.3341 9.6762 9.6789 9.7304 9.7310 13.8375 13.8389 14.2658 14.2696 14.3220 14.3274 16.3133 16.3176 k = 0.5013 0.2390 0.2383 ( 2738 PWs) bands (ev): -45.9450 -45.9450 -22.6887 -22.6877 -22.0472 -22.0461 -22.0267 -22.0266 -14.2058 -14.2058 -6.2510 -6.2489 -5.7089 -5.7083 -5.6696 -5.6680 -0.9794 -0.9582 0.7529 0.7623 1.0236 1.0578 6.3319 6.3333 6.9896 7.0145 7.3634 7.3846 7.3951 7.4038 7.9050 7.9069 8.2118 8.2131 9.3615 9.3616 9.7042 9.7070 9.7708 9.7715 13.8883 13.8897 14.2837 14.2874 14.3393 14.3445 16.3955 16.3997 k = 0.5014 0.2479 0.2472 ( 2735 PWs) bands (ev): -45.9450 -45.9450 -22.6895 -22.6885 -22.0476 -22.0465 -22.0281 -22.0280 -14.2018 -14.2018 -6.2203 -6.2180 -5.7039 -5.7032 -5.6717 -5.6699 -1.0014 -0.9791 0.7227 0.7324 0.9925 1.0282 6.3267 6.3287 6.9890 7.0183 7.3312 7.3508 7.3617 7.3761 7.8975 7.8991 8.1805 8.1817 9.3920 9.3921 9.7315 9.7343 9.8100 9.8107 13.9383 13.9397 14.3023 14.3059 14.3575 14.3625 16.4762 16.4803 k = 0.5014 0.2568 0.2561 ( 2737 PWs) bands (ev): -45.9449 -45.9449 -22.6903 -22.6892 -22.0480 -22.0469 -22.0296 -22.0295 -14.1978 -14.1978 -6.1893 -6.1869 -5.6991 -5.6982 -5.6730 -5.6711 -1.0240 -1.0007 0.6926 0.7024 0.9594 0.9966 6.3211 6.3236 6.9908 7.0249 7.2984 7.3156 7.3279 7.3490 7.8903 7.8913 8.1542 8.1554 9.4251 9.4254 9.7582 9.7611 9.8477 9.8486 13.9873 13.9887 14.3216 14.3251 14.3766 14.3813 16.5551 16.5590 k = 0.5015 0.2657 0.2650 ( 2736 PWs) bands (ev): -45.9449 -45.9449 -22.6910 -22.6900 -22.0484 -22.0473 -22.0310 -22.0309 -14.1938 -14.1938 -6.1580 -6.1556 -5.6946 -5.6934 -5.6735 -5.6714 -1.0472 -1.0229 0.6625 0.6724 0.9245 0.9631 6.3150 6.3178 6.9935 7.0324 7.2657 7.2795 7.2952 7.3239 7.8835 7.8836 8.1326 8.1338 9.4607 9.4610 9.7844 9.7875 9.8840 9.8849 14.0352 14.0366 14.3416 14.3449 14.3964 14.4009 16.6316 16.6354 k = 0.5015 0.2746 0.2739 ( 2734 PWs) bands (ev): -45.9448 -45.9448 -22.6918 -22.6907 -22.0488 -22.0477 -22.0324 -22.0323 -14.1898 -14.1898 -6.1267 -6.1242 -5.6905 -5.6891 -5.6730 -5.6707 -1.0708 -1.0455 0.6326 0.6426 0.8882 0.9279 6.3083 6.3113 6.9949 7.0378 7.2332 7.2427 7.2669 7.3029 7.8763 7.8773 8.1154 8.1167 9.4984 9.4988 9.8103 9.8134 9.9187 9.9197 14.0818 14.0832 14.3621 14.3653 14.4168 14.4211 16.7053 16.7089 k = 0.5016 0.2835 0.2827 ( 2740 PWs) bands (ev): -45.9447 -45.9447 -22.6925 -22.6915 -22.0492 -22.0481 -22.0338 -22.0337 -14.1859 -14.1859 -6.0954 -6.0928 -5.6869 -5.6853 -5.6714 -5.6689 -1.0947 -1.0686 0.6030 0.6131 0.8505 0.8911 6.3010 6.3040 6.9925 7.0367 7.2000 7.2057 7.2486 7.2886 7.8696 7.8721 8.1021 8.1034 9.5380 9.5385 9.8359 9.8390 9.9519 9.9529 14.1272 14.1285 14.3832 14.3862 14.4378 14.4419 16.7756 16.7791 k = 0.5016 0.2924 0.2916 ( 2742 PWs) bands (ev): -45.9447 -45.9447 -22.6933 -22.6923 -22.0496 -22.0485 -22.0352 -22.0350 -14.1821 -14.1821 -6.0642 -6.0616 -5.6837 -5.6822 -5.6685 -5.6661 -1.1189 -1.0920 0.5738 0.5839 0.8117 0.8532 6.2928 6.2958 6.9841 7.0253 7.1653 7.1687 7.2452 7.2831 7.8639 7.8682 8.0922 8.0934 9.5790 9.5796 9.8613 9.8644 9.9834 9.9846 14.1710 14.1724 14.4047 14.4076 14.4592 14.4630 16.8419 16.8452 k = 0.5017 0.3013 0.3005 ( 2742 PWs) bands (ev): -45.9446 -45.9446 -22.6940 -22.6930 -22.0499 -22.0489 -22.0365 -22.0364 -14.1783 -14.1783 -6.0332 -6.0305 -5.6809 -5.6794 -5.6647 -5.6625 -1.1432 -1.1157 0.5451 0.5551 0.7721 0.8142 6.2837 6.2865 6.9688 7.0038 7.1297 7.1318 7.2562 7.2875 7.8592 7.8656 8.0851 8.0863 9.6213 9.6219 9.8864 9.8895 10.0133 10.0145 14.2134 14.2146 14.4266 14.4293 14.4809 14.4845 16.9035 16.9066 k = 0.5017 0.3102 0.3094 ( 2742 PWs) bands (ev): -45.9446 -45.9446 -22.6947 -22.6938 -22.0503 -22.0493 -22.0378 -22.0377 -14.1746 -14.1746 -6.0025 -5.9998 -5.6782 -5.6768 -5.6604 -5.6583 -1.1676 -1.1395 0.5169 0.5269 0.7320 0.7745 6.2736 6.2762 6.9476 6.9755 7.0939 7.0953 7.2779 7.3009 7.8560 7.8648 8.0803 8.0815 9.6644 9.6652 9.9114 9.9145 10.0416 10.0429 14.2541 14.2552 14.4489 14.4514 14.5027 14.5062 16.9596 16.9625 k = 0.5018 0.3191 0.3182 ( 2744 PWs) bands (ev): -45.9445 -45.9445 -22.6954 -22.6945 -22.0506 -22.0497 -22.0391 -22.0389 -14.1710 -14.1710 -5.9722 -5.9695 -5.6753 -5.6740 -5.6558 -5.6539 -1.1920 -1.1634 0.4895 0.4993 0.6916 0.7343 6.2624 6.2647 6.9222 6.9439 7.0583 7.0594 7.3064 7.3214 7.8544 7.8658 8.0775 8.0786 9.7082 9.7090 9.9363 9.9393 10.0683 10.0696 14.2930 14.2940 14.4714 14.4738 14.5246 14.5279 17.0096 17.0123 k = 0.5018 0.3280 0.3271 ( 2740 PWs) bands (ev): -45.9445 -45.9445 -22.6961 -22.6952 -22.0510 -22.0501 -22.0403 -22.0402 -14.1675 -14.1675 -5.9424 -5.9398 -5.6722 -5.6709 -5.6511 -5.6493 -1.2161 -1.1873 0.4627 0.4725 0.6512 0.6939 6.2499 6.2519 6.8947 6.9113 7.0233 7.0241 7.3389 7.3467 7.8546 7.8688 8.0762 8.0772 9.7523 9.7532 9.9610 9.9640 10.0934 10.0948 14.3301 14.3310 14.4942 14.4964 14.5465 14.5495 17.0525 17.0550 k = 0.5019 0.3369 0.3360 ( 2744 PWs) bands (ev): -45.9444 -45.9444 -22.6967 -22.6959 -22.0513 -22.0505 -22.0416 -22.0414 -14.1642 -14.1641 -5.9133 -5.9107 -5.6689 -5.6675 -5.6464 -5.6447 -1.2400 -1.2110 0.4369 0.4464 0.6111 0.6535 6.2361 6.2378 6.8667 6.8793 6.9891 6.9897 7.3736 7.3751 7.8569 7.8740 8.0762 8.0772 9.7963 9.7974 9.9857 9.9885 10.1169 10.1183 14.3652 14.3659 14.5172 14.5191 14.5681 14.5709 17.0877 17.0900 k = 0.5019 0.3458 0.3449 ( 2744 PWs) bands (ev): -45.9444 -45.9444 -22.6974 -22.6965 -22.0516 -22.0508 -22.0427 -22.0425 -14.1609 -14.1609 -5.8849 -5.8824 -5.6653 -5.6638 -5.6418 -5.6402 -1.2635 -1.2345 0.4120 0.4212 0.5716 0.6135 6.2211 6.2224 6.8392 6.8489 6.9558 6.9564 7.4049 7.4091 7.8614 7.8814 8.0772 8.0781 9.8402 9.8413 10.0102 10.0129 10.1388 10.1404 14.3983 14.3989 14.5403 14.5420 14.5894 14.5920 17.1148 17.1169 k = 0.5020 0.3548 0.3538 ( 2744 PWs) bands (ev): -45.9444 -45.9444 -22.6980 -22.6971 -22.0519 -22.0512 -22.0438 -22.0436 -14.1578 -14.1578 -5.8573 -5.8549 -5.6615 -5.6598 -5.6373 -5.6357 -1.2864 -1.2577 0.3880 0.3970 0.5329 0.5741 6.2047 6.2058 6.8132 6.8205 6.9237 6.9242 7.4350 7.4441 7.8684 7.8912 8.0790 8.0799 9.8834 9.8847 10.0345 10.0371 10.1592 10.1609 14.4293 14.4297 14.5633 14.5648 14.6102 14.6126 17.1335 17.1355 k = 0.5020 0.3637 0.3626 ( 2741 PWs) bands (ev): -45.9443 -45.9443 -22.6985 -22.6977 -22.0522 -22.0515 -22.0449 -22.0446 -14.1548 -14.1548 -5.8307 -5.8285 -5.6575 -5.6556 -5.6328 -5.6313 -1.3087 -1.2804 0.3652 0.3738 0.4953 0.5355 6.1872 6.1881 6.7890 6.7945 6.8929 6.8933 7.4644 7.4777 7.8781 7.9034 8.0815 8.0823 9.9258 9.9273 10.0587 10.0611 10.1782 10.1799 14.4583 14.4584 14.5863 14.5875 14.6305 14.6327 17.1440 17.1460 k = 0.5021 0.3726 0.3715 ( 2741 PWs) bands (ev): -45.9443 -45.9443 -22.6991 -22.6983 -22.0525 -22.0519 -22.0458 -22.0456 -14.1519 -14.1519 -5.8051 -5.8032 -5.6533 -5.6512 -5.6286 -5.6270 -1.3303 -1.3026 0.3435 0.3517 0.4591 0.4981 6.1688 6.1694 6.7671 6.7712 6.8636 6.8639 7.4922 7.5090 7.8906 7.9180 8.0843 8.0852 9.9671 9.9687 10.0825 10.0848 10.1957 10.1975 14.4851 14.4851 14.6090 14.6099 14.6500 14.6520 17.1469 17.1490 k = 0.5021 0.3815 0.3804 ( 2743 PWs) bands (ev): -45.9442 -45.9442 -22.6996 -22.6989 -22.0528 -22.0523 -22.0468 -22.0465 -14.1493 -14.1493 -5.7808 -5.7792 -5.6491 -5.6466 -5.6245 -5.6229 -1.3510 -1.3240 0.3230 0.3308 0.4245 0.4620 6.1497 6.1501 6.7474 6.7505 6.8357 6.8360 7.5180 7.5372 7.9060 7.9347 8.0876 8.0885 10.0070 10.0088 10.1060 10.1081 10.2118 10.2138 14.5096 14.5098 14.6312 14.6319 14.6688 14.6706 17.1432 17.1454 k = 0.5022 0.3904 0.3893 ( 2744 PWs) bands (ev): -45.9442 -45.9442 -22.7001 -22.6994 -22.0531 -22.0526 -22.0476 -22.0473 -14.1468 -14.1468 -5.7577 -5.7565 -5.6448 -5.6420 -5.6206 -5.6190 -1.3706 -1.3447 0.3038 0.3111 0.3917 0.4275 6.1302 6.1305 6.7301 6.7323 6.8095 6.8098 7.5412 7.5621 7.9241 7.9533 8.0910 8.0921 10.0452 10.0472 10.1289 10.1309 10.2265 10.2287 14.5321 14.5325 14.6528 14.6533 14.6866 14.6882 17.1339 17.1365 k = 0.5022 0.3993 0.3982 ( 2744 PWs) bands (ev): -45.9442 -45.9442 -22.7005 -22.6999 -22.0533 -22.0529 -22.0484 -22.0481 -14.1444 -14.1444 -5.7360 -5.7353 -5.6405 -5.6373 -5.6168 -5.6153 -1.3892 -1.3644 0.2859 0.2927 0.3609 0.3947 6.1107 6.1109 6.7149 6.7166 6.7851 6.7853 7.5618 7.5835 7.9444 7.9732 8.0946 8.0958 10.0814 10.0837 10.1512 10.1531 10.2400 10.2422 14.5527 14.5532 14.6735 14.6739 14.7034 14.7048 17.1204 17.1235 k = 0.5023 0.4082 0.4070 ( 2744 PWs) bands (ev): -45.9441 -45.9441 -22.7009 -22.7004 -22.0536 -22.0533 -22.0491 -22.0488 -14.1423 -14.1423 -5.7159 -5.7158 -5.6364 -5.6327 -5.6133 -5.6118 -1.4065 -1.3831 0.2694 0.2756 0.3323 0.3639 6.0915 6.0916 6.7019 6.7030 6.7625 6.7627 7.5799 7.6013 7.9664 7.9939 8.0981 8.0997 10.1155 10.1180 10.1727 10.1744 10.2521 10.2546 14.5714 14.5719 14.6931 14.6934 14.7191 14.7204 17.1038 17.1076 k = 0.5023 0.4171 0.4159 ( 2742 PWs) bands (ev): -45.9441 -45.9441 -22.7013 -22.7008 -22.0538 -22.0536 -22.0497 -22.0494 -14.1403 -14.1403 -5.6979 -5.6974 -5.6323 -5.6281 -5.6100 -5.6085 -1.4224 -1.4006 0.2543 0.2600 0.3060 0.3353 6.0730 6.0730 6.6907 6.6915 6.7417 6.7419 7.5955 7.6160 7.9893 8.0147 8.1017 8.1036 10.1470 10.1498 10.1932 10.1948 10.2631 10.2657 14.5882 14.5888 14.7115 14.7116 14.7336 14.7347 17.0853 17.0899 k = 0.5024 0.4260 0.4248 ( 2744 PWs) bands (ev): -45.9441 -45.9441 -22.7016 -22.7012 -22.0541 -22.0539 -22.0503 -22.0499 -14.1385 -14.1385 -5.6820 -5.6807 -5.6284 -5.6236 -5.6069 -5.6054 -1.4369 -1.4168 0.2408 0.2458 0.2823 0.3090 6.0555 6.0555 6.6812 6.6818 6.7230 6.7232 7.6088 7.6279 8.0121 8.0349 8.1052 8.1075 10.1758 10.1790 10.2125 10.2140 10.2728 10.2757 14.6033 14.6039 14.7284 14.7285 14.7469 14.7478 17.0660 17.0712 k = 0.5024 0.4349 0.4337 ( 2752 PWs) bands (ev): -45.9441 -45.9441 -22.7020 -22.7016 -22.0544 -22.0542 -22.0508 -22.0504 -14.1369 -14.1369 -5.6681 -5.6659 -5.6245 -5.6191 -5.6041 -5.6026 -1.4498 -1.4316 0.2287 0.2330 0.2613 0.2851 6.0393 6.0393 6.6732 6.6736 6.7063 6.7064 7.6201 7.6374 8.0342 8.0537 8.1085 8.1116 10.2015 10.2052 10.2304 10.2319 10.2815 10.2845 14.6166 14.6172 14.7437 14.7437 14.7589 14.7596 17.0467 17.0520 k = 0.5025 0.4438 0.4426 ( 2752 PWs) bands (ev): -45.9440 -45.9440 -22.7022 -22.7019 -22.0546 -22.0545 -22.0512 -22.0508 -14.1355 -14.1355 -5.6563 -5.6533 -5.6207 -5.6148 -5.6014 -5.6001 -1.4610 -1.4450 0.2182 0.2218 0.2430 0.2638 6.0246 6.0246 6.6667 6.6669 6.6916 6.6918 7.6296 7.6449 8.0547 8.0704 8.1118 8.1159 10.2240 10.2280 10.2467 10.2483 10.2890 10.2923 14.6282 14.6287 14.7571 14.7572 14.7695 14.7701 17.0282 17.0325 k = 0.5025 0.4527 0.4514 ( 2758 PWs) bands (ev): -45.9440 -45.9440 -22.7025 -22.7022 -22.0548 -22.0548 -22.0515 -22.0512 -14.1343 -14.1343 -5.6466 -5.6432 -5.6168 -5.6107 -5.5990 -5.5978 -1.4705 -1.4567 0.2093 0.2121 0.2277 0.2452 6.0118 6.0118 6.6613 6.6615 6.6791 6.6792 7.6376 7.6506 8.0728 8.0842 8.1152 8.1206 10.2429 10.2473 10.2615 10.2630 10.2956 10.2991 14.6380 14.6385 14.7687 14.7688 14.7787 14.7792 17.0114 17.0138 k = 0.5026 0.4616 0.4603 ( 2776 PWs) bands (ev): -45.9440 -45.9440 -22.7027 -22.7025 -22.0551 -22.0551 -22.0518 -22.0516 -14.1334 -14.1334 -5.6392 -5.6356 -5.6127 -5.6069 -5.5968 -5.5959 -1.4782 -1.4667 0.2019 0.2039 0.2153 0.2295 6.0009 6.0010 6.6570 6.6571 6.6688 6.6689 7.6441 7.6548 8.0878 8.0947 8.1188 8.1257 10.2581 10.2624 10.2745 10.2757 10.3013 10.3048 14.6461 14.6466 14.7781 14.7783 14.7866 14.7869 16.9967 16.9973 k = 0.5026 0.4705 0.4692 ( 2790 PWs) bands (ev): -45.9440 -45.9440 -22.7029 -22.7027 -22.0553 -22.0553 -22.0521 -22.0518 -14.1326 -14.1326 -5.6336 -5.6305 -5.6086 -5.6038 -5.5948 -5.5942 -1.4840 -1.4750 0.1962 0.1974 0.2059 0.2167 5.9923 5.9923 6.6538 6.6539 6.6606 6.6607 7.6494 7.6577 8.0988 8.1019 8.1232 8.1309 10.2698 10.2736 10.2854 10.2861 10.3063 10.3096 14.6525 14.6529 14.7855 14.7857 14.7930 14.7931 16.9845 16.9851 k = 0.5027 0.4794 0.4781 ( 2800 PWs) bands (ev): -45.9440 -45.9440 -22.7031 -22.7029 -22.0555 -22.0555 -22.0522 -22.0520 -14.1320 -14.1320 -5.6298 -5.6274 -5.6050 -5.6016 -5.5932 -5.5929 -1.4879 -1.4814 0.1921 0.1926 0.1995 0.2069 5.9859 5.9859 6.6514 6.6515 6.6547 6.6548 7.6534 7.6594 8.1055 8.1064 8.1284 8.1351 10.2781 10.2810 10.2935 10.2938 10.3105 10.3133 14.6572 14.6575 14.7907 14.7909 14.7978 14.7978 16.9754 16.9763 k = 0.5027 0.4883 0.4869 ( 2800 PWs) bands (ev): -45.9440 -45.9440 -22.7031 -22.7030 -22.0556 -22.0556 -22.0523 -22.0522 -14.1317 -14.1317 -5.6273 -5.6259 -5.6024 -5.6005 -5.5920 -5.5919 -1.4898 -1.4859 0.1895 0.1896 0.1959 0.2002 5.9819 5.9819 6.6499 6.6499 6.6511 6.6512 7.6564 7.6599 8.1088 8.1090 8.1330 8.1375 10.2834 10.2852 10.2986 10.2986 10.3137 10.3156 14.6602 14.6603 14.7940 14.7941 14.8009 14.8009 16.9698 16.9734 k = 0.5028 0.4972 0.4958 ( 2800 PWs) bands (ev): -45.9440 -45.9440 -22.7031 -22.7031 -22.0556 -22.0556 -22.0523 -22.0522 -14.1315 -14.1315 -5.6261 -5.6257 -5.6010 -5.6004 -5.5914 -5.5914 -1.4898 -1.4885 0.1885 0.1885 0.1953 0.1966 5.9804 5.9804 6.6490 6.6490 6.6500 6.6500 7.6583 7.6594 8.1101 8.1101 8.1359 8.1373 10.2858 10.2863 10.3005 10.3005 10.3156 10.3162 14.6614 14.6614 14.7953 14.7953 14.8021 14.8021 16.9678 16.9680 Writing output data file BaTiO3.save init_run : 4.19s CPU 12.77s WALL ( 1 calls) electrons : 652.97s CPU 661.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.25s CPU 2.08s WALL ( 1 calls) Called by electrons: c_bands : 652.94s CPU 660.83s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.97s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.06s CPU 0.61s WALL ( 1 calls) newd : 0.37s CPU 0.61s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 328 calls) cegterg : 631.48s CPU 636.39s WALL ( 1150 calls) Called by sum_band: Called by *egterg: h_psi : 211.19s CPU 222.55s WALL ( 21656 calls) s_psi : 25.28s CPU 25.84s WALL ( 21656 calls) g_psi : 0.48s CPU 0.57s WALL ( 20178 calls) cdiaghg : 300.77s CPU 295.31s WALL ( 20506 calls) cegterg:over : 48.51s CPU 45.92s WALL ( 20178 calls) cegterg:upda : 6.75s CPU 10.95s WALL ( 20178 calls) cegterg:last : 6.64s CPU 7.61s WALL ( 2512 calls) Called by h_psi: h_psi:vloc : 162.30s CPU 172.19s WALL ( 21656 calls) h_psi:vnl : 48.65s CPU 49.78s WALL ( 21656 calls) add_vuspsi : 15.65s CPU 19.13s WALL ( 21656 calls) General routines calbec : 32.92s CPU 30.53s WALL ( 21656 calls) fft : 0.60s CPU 1.40s WALL ( 19 calls) ffts : 0.03s CPU 0.59s WALL ( 4 calls) fftw : 151.22s CPU 156.76s WALL ( 1401132 calls) interpolate : 0.06s CPU 0.66s WALL ( 4 calls) davcio : 0.07s CPU 1.64s WALL ( 656 calls) Parallel routines fft_scatter : 107.79s CPU 112.37s WALL ( 1401155 calls) PWSCF : 11m43.07s CPU 12m52.67s WALL This run was terminated on: 14:25:35 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=