Program PWSCF v.5.1.1 starts on 11Oct2015 at 1:51:28 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: ./AgNO3.save/ 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 32 18 5 917 398 64 Max 33 19 6 919 413 67 Sum 1539 879 269 44053 19427 3133 bravais-lattice index = 14 lattice parameter (alat) = 7.7935 a.u. unit-cell volume = 446.5313 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.793458 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.206320 celldm(5)= 0.206320 celldm(6)= 0.206320 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.206320 0.978485 0.000000 ) a(3) = ( 0.206320 0.167353 0.964067 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.210856 -0.177407 ) b(2) = ( 0.000000 1.021988 -0.177407 ) b(3) = ( 0.000000 0.000000 1.037272 ) PseudoPot. # 1 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. # 2 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) Ag 11.00 107.86820 Ag( 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= 312 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0125000 -0.0026357 -0.0022176), wk = 0.0032051 k( 3) = ( 0.0250000 -0.0052714 -0.0044352), wk = 0.0032051 k( 4) = ( 0.0375000 -0.0079071 -0.0066528), wk = 0.0032051 k( 5) = ( 0.0500000 -0.0105428 -0.0088704), wk = 0.0032051 k( 6) = ( 0.0625000 -0.0131785 -0.0110879), wk = 0.0032051 k( 7) = ( 0.0750000 -0.0158142 -0.0133055), wk = 0.0032051 k( 8) = ( 0.0875000 -0.0184499 -0.0155231), wk = 0.0032051 k( 9) = ( 0.1000000 -0.0210856 -0.0177407), wk = 0.0032051 k( 10) = ( 0.1125000 -0.0237214 -0.0199583), wk = 0.0032051 k( 11) = ( 0.1250000 -0.0263571 -0.0221759), wk = 0.0032051 k( 12) = ( 0.1375000 -0.0289928 -0.0243935), wk = 0.0032051 k( 13) = ( 0.1500000 -0.0316285 -0.0266111), wk = 0.0032051 k( 14) = ( 0.1625000 -0.0342642 -0.0288287), wk = 0.0032051 k( 15) = ( 0.1750000 -0.0368999 -0.0310463), wk = 0.0032051 k( 16) = ( 0.1875000 -0.0395356 -0.0332638), wk = 0.0032051 k( 17) = ( 0.2000000 -0.0421713 -0.0354814), wk = 0.0032051 k( 18) = ( 0.2125000 -0.0448070 -0.0376990), wk = 0.0032051 k( 19) = ( 0.2250000 -0.0474427 -0.0399166), wk = 0.0032051 k( 20) = ( 0.2375000 -0.0500784 -0.0421342), wk = 0.0032051 k( 21) = ( 0.2500000 -0.0527141 -0.0443518), wk = 0.0032051 k( 22) = ( 0.2625000 -0.0553498 -0.0465694), wk = 0.0032051 k( 23) = ( 0.2750000 -0.0579855 -0.0487870), wk = 0.0032051 k( 24) = ( 0.2875000 -0.0606212 -0.0510046), wk = 0.0032051 k( 25) = ( 0.3000000 -0.0632569 -0.0532222), wk = 0.0032051 k( 26) = ( 0.3125000 -0.0658926 -0.0554397), wk = 0.0032051 k( 27) = ( 0.3250000 -0.0685284 -0.0576573), wk = 0.0032051 k( 28) = ( 0.3375000 -0.0711641 -0.0598749), wk = 0.0032051 k( 29) = ( 0.3500000 -0.0737998 -0.0620925), wk = 0.0032051 k( 30) = ( 0.3625000 -0.0764355 -0.0643101), wk = 0.0032051 k( 31) = ( 0.3750000 -0.0790712 -0.0665277), wk = 0.0032051 k( 32) = ( 0.3875000 -0.0817069 -0.0687453), wk = 0.0032051 k( 33) = ( 0.4000000 -0.0843426 -0.0709629), wk = 0.0032051 k( 34) = ( 0.4125000 -0.0869783 -0.0731805), wk = 0.0032051 k( 35) = ( 0.4250000 -0.0896140 -0.0753981), wk = 0.0032051 k( 36) = ( 0.4375000 -0.0922497 -0.0776156), wk = 0.0032051 k( 37) = ( 0.4500000 -0.0948854 -0.0798332), wk = 0.0032051 k( 38) = ( 0.4625000 -0.0975211 -0.0820508), wk = 0.0032051 k( 39) = ( 0.4750000 -0.1001568 -0.0842684), wk = 0.0032051 k( 40) = ( 0.4875000 -0.1027925 -0.0864860), wk = 0.0032051 k( 41) = ( 0.5000000 -0.1054282 -0.0887036), wk = 0.0032051 k( 42) = ( 0.5000000 -0.1054282 -0.0887036), wk = 0.0032051 k( 43) = ( 0.5000000 -0.0970159 -0.0987020), wk = 0.0032051 k( 44) = ( 0.5000000 -0.0886036 -0.1087005), wk = 0.0032051 k( 45) = ( 0.5000000 -0.0801912 -0.1186989), wk = 0.0032051 k( 46) = ( 0.5000000 -0.0717789 -0.1286973), wk = 0.0032051 k( 47) = ( 0.5000000 -0.0633666 -0.1386957), wk = 0.0032051 k( 48) = ( 0.5000000 -0.0549543 -0.1486942), wk = 0.0032051 k( 49) = ( 0.5000000 -0.0465419 -0.1586926), wk = 0.0032051 k( 50) = ( 0.5000000 -0.0381296 -0.1686910), wk = 0.0032051 k( 51) = ( 0.5000000 -0.0297173 -0.1786895), wk = 0.0032051 k( 52) = ( 0.5000000 -0.0213050 -0.1886879), wk = 0.0032051 k( 53) = ( 0.5000000 -0.0128926 -0.1986863), wk = 0.0032051 k( 54) = ( 0.5000000 -0.0044803 -0.2086848), wk = 0.0032051 k( 55) = ( 0.5000000 0.0039320 -0.2186832), wk = 0.0032051 k( 56) = ( 0.5000000 0.0123444 -0.2286816), wk = 0.0032051 k( 57) = ( 0.5000000 0.0207567 -0.2386801), wk = 0.0032051 k( 58) = ( 0.5000000 0.0291690 -0.2486785), wk = 0.0032051 k( 59) = ( 0.5000000 0.0375813 -0.2586769), wk = 0.0032051 k( 60) = ( 0.5000000 0.0459937 -0.2686754), wk = 0.0032051 k( 61) = ( 0.5000000 0.0544060 -0.2786738), wk = 0.0032051 k( 62) = ( 0.5000000 0.0628183 -0.2886722), wk = 0.0032051 k( 63) = ( 0.5000000 0.0712306 -0.2986706), wk = 0.0032051 k( 64) = ( 0.5000000 0.0796430 -0.3086691), wk = 0.0032051 k( 65) = ( 0.5000000 0.0880553 -0.3186675), wk = 0.0032051 k( 66) = ( 0.5000000 0.0964676 -0.3286659), wk = 0.0032051 k( 67) = ( 0.5000000 0.1048800 -0.3386644), wk = 0.0032051 k( 68) = ( 0.5000000 0.1132923 -0.3486628), wk = 0.0032051 k( 69) = ( 0.5000000 0.1217046 -0.3586612), wk = 0.0032051 k( 70) = ( 0.5000000 0.1301169 -0.3686597), wk = 0.0032051 k( 71) = ( 0.5000000 0.1385293 -0.3786581), wk = 0.0032051 k( 72) = ( 0.5000000 0.1469416 -0.3886565), wk = 0.0032051 k( 73) = ( 0.5000000 0.1553539 -0.3986550), wk = 0.0032051 k( 74) = ( 0.5000000 0.1637662 -0.4086534), wk = 0.0032051 k( 75) = ( 0.5000000 0.1721786 -0.4186518), wk = 0.0032051 k( 76) = ( 0.5000000 0.1805909 -0.4286503), wk = 0.0032051 k( 77) = ( 0.5000000 0.1890032 -0.4386487), wk = 0.0032051 k( 78) = ( 0.5000000 0.1974156 -0.4486471), wk = 0.0032051 k( 79) = ( 0.5000000 0.2058279 -0.4586455), wk = 0.0032051 k( 80) = ( 0.5000000 0.2142402 -0.4686440), wk = 0.0032051 k( 81) = ( 0.5000000 0.2226525 -0.4786424), wk = 0.0032051 k( 82) = ( 0.5000000 0.2310649 -0.4886408), wk = 0.0032051 k( 83) = ( 0.5000000 0.2394772 -0.4986393), wk = 0.0032051 k( 84) = ( 0.5000000 0.2478895 -0.5086377), wk = 0.0032051 k( 85) = ( 0.5000000 0.2563019 -0.5186361), wk = 0.0032051 k( 86) = ( 0.6460527 0.3747699 0.1638217), wk = 0.0032051 k( 87) = ( 0.6379387 0.3764808 0.1736777), wk = 0.0032051 k( 88) = ( 0.6298246 0.3781916 0.1835337), wk = 0.0032051 k( 89) = ( 0.6217106 0.3799025 0.1933896), wk = 0.0032051 k( 90) = ( 0.6135965 0.3816134 0.2032456), wk = 0.0032051 k( 91) = ( 0.6054825 0.3833243 0.2131015), wk = 0.0032051 k( 92) = ( 0.5973685 0.3850352 0.2229575), wk = 0.0032051 k( 93) = ( 0.5892544 0.3867461 0.2328134), wk = 0.0032051 k( 94) = ( 0.5811404 0.3884570 0.2426694), wk = 0.0032051 k( 95) = ( 0.5730263 0.3901679 0.2525253), wk = 0.0032051 k( 96) = ( 0.5649123 0.3918788 0.2623813), wk = 0.0032051 k( 97) = ( 0.5567983 0.3935897 0.2722372), wk = 0.0032051 k( 98) = ( 0.5486842 0.3953006 0.2820932), wk = 0.0032051 k( 99) = ( 0.5405702 0.3970115 0.2919492), wk = 0.0032051 k( 100) = ( 0.5324562 0.3987224 0.3018051), wk = 0.0032051 k( 101) = ( 0.5243421 0.4004333 0.3116611), wk = 0.0032051 k( 102) = ( 0.5162281 0.4021442 0.3215170), wk = 0.0032051 k( 103) = ( 0.5081140 0.4038551 0.3313730), wk = 0.0032051 k( 104) = ( 0.5000000 0.4055660 0.3412289), wk = 0.0032051 k( 105) = ( 0.5000000 0.4055660 0.3412289), wk = 0.0032051 k( 106) = ( 0.4910714 0.3983238 0.3351356), wk = 0.0032051 k( 107) = ( 0.4821429 0.3910815 0.3290422), wk = 0.0032051 k( 108) = ( 0.4732143 0.3838393 0.3229488), wk = 0.0032051 k( 109) = ( 0.4642857 0.3765970 0.3168554), wk = 0.0032051 k( 110) = ( 0.4553571 0.3693548 0.3107621), wk = 0.0032051 k( 111) = ( 0.4464286 0.3621125 0.3046687), wk = 0.0032051 k( 112) = ( 0.4375000 0.3548703 0.2985753), wk = 0.0032051 k( 113) = ( 0.4285714 0.3476280 0.2924819), wk = 0.0032051 k( 114) = ( 0.4196429 0.3403858 0.2863886), wk = 0.0032051 k( 115) = ( 0.4107143 0.3331435 0.2802952), wk = 0.0032051 k( 116) = ( 0.4017857 0.3259013 0.2742018), wk = 0.0032051 k( 117) = ( 0.3928571 0.3186590 0.2681085), wk = 0.0032051 k( 118) = ( 0.3839286 0.3114168 0.2620151), wk = 0.0032051 k( 119) = ( 0.3750000 0.3041745 0.2559217), wk = 0.0032051 k( 120) = ( 0.3660714 0.2969323 0.2498283), wk = 0.0032051 k( 121) = ( 0.3571429 0.2896900 0.2437350), wk = 0.0032051 k( 122) = ( 0.3482143 0.2824478 0.2376416), wk = 0.0032051 k( 123) = ( 0.3392857 0.2752055 0.2315482), wk = 0.0032051 k( 124) = ( 0.3303571 0.2679633 0.2254548), wk = 0.0032051 k( 125) = ( 0.3214286 0.2607210 0.2193615), wk = 0.0032051 k( 126) = ( 0.3125000 0.2534788 0.2132681), wk = 0.0032051 k( 127) = ( 0.3035714 0.2462365 0.2071747), wk = 0.0032051 k( 128) = ( 0.2946429 0.2389943 0.2010813), wk = 0.0032051 k( 129) = ( 0.2857143 0.2317520 0.1949880), wk = 0.0032051 k( 130) = ( 0.2767857 0.2245098 0.1888946), wk = 0.0032051 k( 131) = ( 0.2678571 0.2172675 0.1828012), wk = 0.0032051 k( 132) = ( 0.2589286 0.2100253 0.1767078), wk = 0.0032051 k( 133) = ( 0.2500000 0.2027830 0.1706145), wk = 0.0032051 k( 134) = ( 0.2410714 0.1955408 0.1645211), wk = 0.0032051 k( 135) = ( 0.2321429 0.1882985 0.1584277), wk = 0.0032051 k( 136) = ( 0.2232143 0.1810563 0.1523344), wk = 0.0032051 k( 137) = ( 0.2142857 0.1738140 0.1462410), wk = 0.0032051 k( 138) = ( 0.2053571 0.1665718 0.1401476), wk = 0.0032051 k( 139) = ( 0.1964286 0.1593295 0.1340542), wk = 0.0032051 k( 140) = ( 0.1875000 0.1520873 0.1279609), wk = 0.0032051 k( 141) = ( 0.1785714 0.1448450 0.1218675), wk = 0.0032051 k( 142) = ( 0.1696429 0.1376028 0.1157741), wk = 0.0032051 k( 143) = ( 0.1607143 0.1303605 0.1096807), wk = 0.0032051 k( 144) = ( 0.1517857 0.1231182 0.1035874), wk = 0.0032051 k( 145) = ( 0.1428571 0.1158760 0.0974940), wk = 0.0032051 k( 146) = ( 0.1339286 0.1086338 0.0914006), wk = 0.0032051 k( 147) = ( 0.1250000 0.1013915 0.0853072), wk = 0.0032051 k( 148) = ( 0.1160714 0.0941493 0.0792139), wk = 0.0032051 k( 149) = ( 0.1071429 0.0869070 0.0731205), wk = 0.0032051 k( 150) = ( 0.0982143 0.0796648 0.0670271), wk = 0.0032051 k( 151) = ( 0.0892857 0.0724225 0.0609337), wk = 0.0032051 k( 152) = ( 0.0803571 0.0651802 0.0548404), wk = 0.0032051 k( 153) = ( 0.0714286 0.0579380 0.0487470), wk = 0.0032051 k( 154) = ( 0.0625000 0.0506958 0.0426536), wk = 0.0032051 k( 155) = ( 0.0535714 0.0434535 0.0365602), wk = 0.0032051 k( 156) = ( 0.0446429 0.0362113 0.0304669), wk = 0.0032051 k( 157) = ( 0.0357143 0.0289690 0.0243735), wk = 0.0032051 k( 158) = ( 0.0267857 0.0217267 0.0182801), wk = 0.0032051 k( 159) = ( 0.0178571 0.0144845 0.0121867), wk = 0.0032051 k( 160) = ( 0.0089286 0.0072422 0.0060934), wk = 0.0032051 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 163) = ( 0.0082110 -0.0017313 -0.0099738), wk = 0.0032051 k( 164) = ( 0.0164221 -0.0034627 -0.0199475), wk = 0.0032051 k( 165) = ( 0.0246331 -0.0051940 -0.0299213), wk = 0.0032051 k( 166) = ( 0.0328441 -0.0069254 -0.0398951), wk = 0.0032051 k( 167) = ( 0.0410552 -0.0086567 -0.0498689), wk = 0.0032051 k( 168) = ( 0.0492662 -0.0103881 -0.0598426), wk = 0.0032051 k( 169) = ( 0.0574772 -0.0121194 -0.0698164), wk = 0.0032051 k( 170) = ( 0.0656883 -0.0138508 -0.0797902), wk = 0.0032051 k( 171) = ( 0.0738993 -0.0155821 -0.0897639), wk = 0.0032051 k( 172) = ( 0.0821103 -0.0173135 -0.0997377), wk = 0.0032051 k( 173) = ( 0.0903213 -0.0190448 -0.1097115), wk = 0.0032051 k( 174) = ( 0.0985324 -0.0207762 -0.1196853), wk = 0.0032051 k( 175) = ( 0.1067434 -0.0225075 -0.1296590), wk = 0.0032051 k( 176) = ( 0.1149544 -0.0242389 -0.1396328), wk = 0.0032051 k( 177) = ( 0.1231655 -0.0259702 -0.1496066), wk = 0.0032051 k( 178) = ( 0.1313765 -0.0277016 -0.1595803), wk = 0.0032051 k( 179) = ( 0.1395875 -0.0294329 -0.1695541), wk = 0.0032051 k( 180) = ( 0.1477986 -0.0311643 -0.1795279), wk = 0.0032051 k( 181) = ( 0.1560096 -0.0328956 -0.1895017), wk = 0.0032051 k( 182) = ( 0.1642206 -0.0346270 -0.1994754), wk = 0.0032051 k( 183) = ( 0.1724317 -0.0363583 -0.2094492), wk = 0.0032051 k( 184) = ( 0.1806427 -0.0380897 -0.2194230), wk = 0.0032051 k( 185) = ( 0.1888537 -0.0398210 -0.2293967), wk = 0.0032051 k( 186) = ( 0.1970648 -0.0415524 -0.2393705), wk = 0.0032051 k( 187) = ( 0.2052758 -0.0432837 -0.2493443), wk = 0.0032051 k( 188) = ( 0.2134868 -0.0450151 -0.2593181), wk = 0.0032051 k( 189) = ( 0.2216979 -0.0467464 -0.2692918), wk = 0.0032051 k( 190) = ( 0.2299089 -0.0484778 -0.2792656), wk = 0.0032051 k( 191) = ( 0.2381199 -0.0502091 -0.2892394), wk = 0.0032051 k( 192) = ( 0.2463310 -0.0519405 -0.2992132), wk = 0.0032051 k( 193) = ( 0.2545420 -0.0536718 -0.3091869), wk = 0.0032051 k( 194) = ( 0.2627530 -0.0554032 -0.3191607), wk = 0.0032051 k( 195) = ( 0.2709641 -0.0571345 -0.3291345), wk = 0.0032051 k( 196) = ( 0.2791751 -0.0588659 -0.3391082), wk = 0.0032051 k( 197) = ( 0.2873861 -0.0605972 -0.3490820), wk = 0.0032051 k( 198) = ( 0.2955971 -0.0623286 -0.3590558), wk = 0.0032051 k( 199) = ( 0.3038082 -0.0640599 -0.3690296), wk = 0.0032051 k( 200) = ( 0.3120192 -0.0657913 -0.3790033), wk = 0.0032051 k( 201) = ( 0.3202302 -0.0675226 -0.3889771), wk = 0.0032051 k( 202) = ( 0.3284413 -0.0692540 -0.3989509), wk = 0.0032051 k( 203) = ( 0.3366523 -0.0709853 -0.4089246), wk = 0.0032051 k( 204) = ( 0.3448633 -0.0727167 -0.4188984), wk = 0.0032051 k( 205) = ( 0.3530744 -0.0744480 -0.4288722), wk = 0.0032051 k( 206) = ( 0.3612854 -0.0761794 -0.4388460), wk = 0.0032051 k( 207) = ( 0.3694964 -0.0779107 -0.4488197), wk = 0.0032051 k( 208) = ( 0.3777075 -0.0796421 -0.4587935), wk = 0.0032051 k( 209) = ( 0.3859185 -0.0813734 -0.4687673), wk = 0.0032051 k( 210) = ( 0.3941295 -0.0831048 -0.4787410), wk = 0.0032051 k( 211) = ( 0.4023406 -0.0848361 -0.4887148), wk = 0.0032051 k( 212) = ( 0.4105516 -0.0865675 -0.4986886), wk = 0.0032051 k( 213) = ( 0.4187626 -0.0882988 -0.5086624), wk = 0.0032051 k( 214) = ( 0.4269737 -0.0900302 -0.5186361), wk = 0.0032051 k( 215) = ( 0.5730263 0.3155359 -0.1774072), wk = 0.0032051 k( 216) = ( 0.5649123 0.3255392 -0.1774072), wk = 0.0032051 k( 217) = ( 0.5567983 0.3355425 -0.1774072), wk = 0.0032051 k( 218) = ( 0.5486842 0.3455459 -0.1774072), wk = 0.0032051 k( 219) = ( 0.5405702 0.3555493 -0.1774072), wk = 0.0032051 k( 220) = ( 0.5324562 0.3655526 -0.1774072), wk = 0.0032051 k( 221) = ( 0.5243421 0.3755560 -0.1774072), wk = 0.0032051 k( 222) = ( 0.5162281 0.3855593 -0.1774072), wk = 0.0032051 k( 223) = ( 0.5081140 0.3955627 -0.1774072), wk = 0.0032051 k( 224) = ( 0.5000000 0.4055660 -0.1774072), wk = 0.0032051 k( 225) = ( 0.5000000 0.4055660 -0.1774072), wk = 0.0032051 k( 226) = ( 0.5027047 0.4077599 -0.1647691), wk = 0.0032051 k( 227) = ( 0.5054094 0.4099537 -0.1521310), wk = 0.0032051 k( 228) = ( 0.5081140 0.4121476 -0.1394929), wk = 0.0032051 k( 229) = ( 0.5108187 0.4143414 -0.1268548), wk = 0.0032051 k( 230) = ( 0.5135234 0.4165353 -0.1142167), wk = 0.0032051 k( 231) = ( 0.5162281 0.4187291 -0.1015785), wk = 0.0032051 k( 232) = ( 0.5189328 0.4209230 -0.0889404), wk = 0.0032051 k( 233) = ( 0.5216374 0.4231168 -0.0763023), wk = 0.0032051 k( 234) = ( 0.5243421 0.4253107 -0.0636642), wk = 0.0032051 k( 235) = ( 0.5270468 0.4275045 -0.0510261), wk = 0.0032051 k( 236) = ( 0.5297515 0.4296984 -0.0383880), wk = 0.0032051 k( 237) = ( 0.5324562 0.4318922 -0.0257499), wk = 0.0032051 k( 238) = ( 0.5351608 0.4340861 -0.0131118), wk = 0.0032051 k( 239) = ( 0.5378655 0.4362799 -0.0004737), wk = 0.0032051 k( 240) = ( 0.5405702 0.4384738 0.0121644), wk = 0.0032051 k( 241) = ( 0.5432749 0.4406676 0.0248025), wk = 0.0032051 k( 242) = ( 0.5459795 0.4428615 0.0374407), wk = 0.0032051 k( 243) = ( 0.5486842 0.4450553 0.0500788), wk = 0.0032051 k( 244) = ( 0.5513889 0.4472492 0.0627169), wk = 0.0032051 k( 245) = ( 0.5540936 0.4494430 0.0753550), wk = 0.0032051 k( 246) = ( 0.5567983 0.4516369 0.0879931), wk = 0.0032051 k( 247) = ( 0.5595029 0.4538307 0.1006312), wk = 0.0032051 k( 248) = ( 0.5622076 0.4560246 0.1132693), wk = 0.0032051 k( 249) = ( 0.5649123 0.4582185 0.1259074), wk = 0.0032051 k( 250) = ( 0.5676170 0.4604123 0.1385455), wk = 0.0032051 k( 251) = ( 0.5703217 0.4626062 0.1511836), wk = 0.0032051 k( 252) = ( 0.5730263 0.4648000 0.1638217), wk = 0.0032051 k( 253) = ( 0.5730263 0.4648000 0.1638217), wk = 0.0032051 k( 254) = ( 0.5684622 0.4610979 0.1749097), wk = 0.0032051 k( 255) = ( 0.5638981 0.4573958 0.1859976), wk = 0.0032051 k( 256) = ( 0.5593339 0.4536936 0.1970856), wk = 0.0032051 k( 257) = ( 0.5547698 0.4499915 0.2081735), wk = 0.0032051 k( 258) = ( 0.5502056 0.4462894 0.2192615), wk = 0.0032051 k( 259) = ( 0.5456415 0.4425873 0.2303494), wk = 0.0032051 k( 260) = ( 0.5410773 0.4388851 0.2414374), wk = 0.0032051 k( 261) = ( 0.5365132 0.4351830 0.2525253), wk = 0.0032051 k( 262) = ( 0.5319490 0.4314809 0.2636133), wk = 0.0032051 k( 263) = ( 0.5273849 0.4277788 0.2747012), wk = 0.0032051 k( 264) = ( 0.5228207 0.4240766 0.2857892), wk = 0.0032051 k( 265) = ( 0.5182566 0.4203745 0.2968771), wk = 0.0032051 k( 266) = ( 0.5136924 0.4166724 0.3079651), wk = 0.0032051 k( 267) = ( 0.5091283 0.4129703 0.3190530), wk = 0.0032051 k( 268) = ( 0.5045641 0.4092681 0.3301410), wk = 0.0032051 k( 269) = ( 0.5000000 0.4055660 0.3412289), wk = 0.0032051 k( 270) = ( 0.5000000 -0.1054282 -0.0887036), wk = 0.0032051 k( 271) = ( 0.5034774 -0.0957719 -0.0805791), wk = 0.0032051 k( 272) = ( 0.5069549 -0.0861156 -0.0724546), wk = 0.0032051 k( 273) = ( 0.5104323 -0.0764592 -0.0643301), wk = 0.0032051 k( 274) = ( 0.5139098 -0.0668029 -0.0562056), wk = 0.0032051 k( 275) = ( 0.5173872 -0.0571466 -0.0480811), wk = 0.0032051 k( 276) = ( 0.5208647 -0.0474902 -0.0399566), wk = 0.0032051 k( 277) = ( 0.5243421 -0.0378339 -0.0318321), wk = 0.0032051 k( 278) = ( 0.5278196 -0.0281776 -0.0237076), wk = 0.0032051 k( 279) = ( 0.5312970 -0.0185212 -0.0155831), wk = 0.0032051 k( 280) = ( 0.5347745 -0.0088649 -0.0074586), wk = 0.0032051 k( 281) = ( 0.5382519 0.0007914 0.0006659), wk = 0.0032051 k( 282) = ( 0.5417293 0.0104478 0.0087904), wk = 0.0032051 k( 283) = ( 0.5452068 0.0201041 0.0169149), wk = 0.0032051 k( 284) = ( 0.5486842 0.0297604 0.0250394), wk = 0.0032051 k( 285) = ( 0.5521617 0.0394168 0.0331639), wk = 0.0032051 k( 286) = ( 0.5556391 0.0490731 0.0412884), wk = 0.0032051 k( 287) = ( 0.5591166 0.0587294 0.0494129), wk = 0.0032051 k( 288) = ( 0.5625940 0.0683858 0.0575374), wk = 0.0032051 k( 289) = ( 0.5660715 0.0780421 0.0656619), wk = 0.0032051 k( 290) = ( 0.5695489 0.0876984 0.0737864), wk = 0.0032051 k( 291) = ( 0.5730263 0.0973548 0.0819109), wk = 0.0032051 k( 292) = ( 0.5765038 0.1070111 0.0900354), wk = 0.0032051 k( 293) = ( 0.5799812 0.1166674 0.0981599), wk = 0.0032051 k( 294) = ( 0.5834587 0.1263238 0.1062844), wk = 0.0032051 k( 295) = ( 0.5869361 0.1359801 0.1144089), wk = 0.0032051 k( 296) = ( 0.5904136 0.1456364 0.1225334), wk = 0.0032051 k( 297) = ( 0.5938910 0.1552928 0.1306579), wk = 0.0032051 k( 298) = ( 0.5973685 0.1649491 0.1387824), wk = 0.0032051 k( 299) = ( 0.6008459 0.1746054 0.1469069), wk = 0.0032051 k( 300) = ( 0.6043234 0.1842618 0.1550314), wk = 0.0032051 k( 301) = ( 0.6078008 0.1939181 0.1631559), wk = 0.0032051 k( 302) = ( 0.6112782 0.2035744 0.1712804), wk = 0.0032051 k( 303) = ( 0.6147557 0.2132308 0.1794049), wk = 0.0032051 k( 304) = ( 0.6182331 0.2228871 0.1875294), wk = 0.0032051 k( 305) = ( 0.6217106 0.2325434 0.1956539), wk = 0.0032051 k( 306) = ( 0.6251880 0.2421998 0.2037784), wk = 0.0032051 k( 307) = ( 0.6286655 0.2518561 0.2119028), wk = 0.0032051 k( 308) = ( 0.6321429 0.2615124 0.2200273), wk = 0.0032051 k( 309) = ( 0.6356203 0.2711688 0.2281518), wk = 0.0032051 k( 310) = ( 0.6390978 0.2808251 0.2362763), wk = 0.0032051 k( 311) = ( 0.6425752 0.2904814 0.2444008), wk = 0.0032051 k( 312) = ( 0.6460527 0.3001378 0.2525253), wk = 0.0032051 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0125000 0.0000000 0.0000000), wk = 0.0032051 k( 3) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0032051 k( 4) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0032051 k( 5) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0032051 k( 6) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0032051 k( 7) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0032051 k( 8) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0032051 k( 9) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0032051 k( 10) = ( 0.1125000 0.0000000 0.0000000), wk = 0.0032051 k( 11) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0032051 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0032051 k( 13) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0032051 k( 14) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0032051 k( 15) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0032051 k( 16) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0032051 k( 17) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0032051 k( 18) = ( 0.2125000 0.0000000 0.0000000), wk = 0.0032051 k( 19) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0032051 k( 20) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0032051 k( 21) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0032051 k( 22) = ( 0.2625000 0.0000000 0.0000000), wk = 0.0032051 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0032051 k( 24) = ( 0.2875000 0.0000000 0.0000000), wk = 0.0032051 k( 25) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0032051 k( 26) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0032051 k( 27) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0032051 k( 28) = ( 0.3375000 0.0000000 0.0000000), wk = 0.0032051 k( 29) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0032051 k( 30) = ( 0.3625000 0.0000000 0.0000000), wk = 0.0032051 k( 31) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0032051 k( 32) = ( 0.3875000 0.0000000 0.0000000), wk = 0.0032051 k( 33) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0032051 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0032051 k( 35) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0032051 k( 36) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0032051 k( 37) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0032051 k( 38) = ( 0.4625000 0.0000000 0.0000000), wk = 0.0032051 k( 39) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0032051 k( 40) = ( 0.4875000 0.0000000 0.0000000), wk = 0.0032051 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 43) = ( 0.5000000 0.0082313 -0.0082313), wk = 0.0032051 k( 44) = ( 0.5000000 0.0164627 -0.0164627), wk = 0.0032051 k( 45) = ( 0.5000000 0.0246940 -0.0246940), wk = 0.0032051 k( 46) = ( 0.5000000 0.0329253 -0.0329253), wk = 0.0032051 k( 47) = ( 0.5000000 0.0411567 -0.0411567), wk = 0.0032051 k( 48) = ( 0.5000000 0.0493880 -0.0493880), wk = 0.0032051 k( 49) = ( 0.5000000 0.0576193 -0.0576193), wk = 0.0032051 k( 50) = ( 0.5000000 0.0658507 -0.0658507), wk = 0.0032051 k( 51) = ( 0.5000000 0.0740820 -0.0740820), wk = 0.0032051 k( 52) = ( 0.5000000 0.0823133 -0.0823133), wk = 0.0032051 k( 53) = ( 0.5000000 0.0905447 -0.0905447), wk = 0.0032051 k( 54) = ( 0.5000000 0.0987760 -0.0987760), wk = 0.0032051 k( 55) = ( 0.5000000 0.1070073 -0.1070073), wk = 0.0032051 k( 56) = ( 0.5000000 0.1152387 -0.1152387), wk = 0.0032051 k( 57) = ( 0.5000000 0.1234700 -0.1234700), wk = 0.0032051 k( 58) = ( 0.5000000 0.1317013 -0.1317013), wk = 0.0032051 k( 59) = ( 0.5000000 0.1399327 -0.1399327), wk = 0.0032051 k( 60) = ( 0.5000000 0.1481640 -0.1481640), wk = 0.0032051 k( 61) = ( 0.5000000 0.1563953 -0.1563953), wk = 0.0032051 k( 62) = ( 0.5000000 0.1646267 -0.1646267), wk = 0.0032051 k( 63) = ( 0.5000000 0.1728580 -0.1728580), wk = 0.0032051 k( 64) = ( 0.5000000 0.1810893 -0.1810893), wk = 0.0032051 k( 65) = ( 0.5000000 0.1893207 -0.1893207), wk = 0.0032051 k( 66) = ( 0.5000000 0.1975520 -0.1975520), wk = 0.0032051 k( 67) = ( 0.5000000 0.2057833 -0.2057833), wk = 0.0032051 k( 68) = ( 0.5000000 0.2140147 -0.2140147), wk = 0.0032051 k( 69) = ( 0.5000000 0.2222460 -0.2222460), wk = 0.0032051 k( 70) = ( 0.5000000 0.2304773 -0.2304773), wk = 0.0032051 k( 71) = ( 0.5000000 0.2387087 -0.2387087), wk = 0.0032051 k( 72) = ( 0.5000000 0.2469400 -0.2469400), wk = 0.0032051 k( 73) = ( 0.5000000 0.2551713 -0.2551713), wk = 0.0032051 k( 74) = ( 0.5000000 0.2634027 -0.2634026), wk = 0.0032051 k( 75) = ( 0.5000000 0.2716340 -0.2716340), wk = 0.0032051 k( 76) = ( 0.5000000 0.2798653 -0.2798653), wk = 0.0032051 k( 77) = ( 0.5000000 0.2880967 -0.2880966), wk = 0.0032051 k( 78) = ( 0.5000000 0.2963280 -0.2963280), wk = 0.0032051 k( 79) = ( 0.5000000 0.3045593 -0.3045593), wk = 0.0032051 k( 80) = ( 0.5000000 0.3127907 -0.3127906), wk = 0.0032051 k( 81) = ( 0.5000000 0.3210220 -0.3210220), wk = 0.0032051 k( 82) = ( 0.5000000 0.3292533 -0.3292533), wk = 0.0032051 k( 83) = ( 0.5000000 0.3374847 -0.3374846), wk = 0.0032051 k( 84) = ( 0.5000000 0.3457160 -0.3457160), wk = 0.0032051 k( 85) = ( 0.5000000 0.3539473 -0.3539473), wk = 0.0032051 k( 86) = ( 0.6460527 0.5000000 0.3539473), wk = 0.0032051 k( 87) = ( 0.6379387 0.5000000 0.3620613), wk = 0.0032051 k( 88) = ( 0.6298246 0.5000000 0.3701754), wk = 0.0032051 k( 89) = ( 0.6217106 0.5000000 0.3782894), wk = 0.0032051 k( 90) = ( 0.6135965 0.5000000 0.3864035), wk = 0.0032051 k( 91) = ( 0.6054825 0.5000000 0.3945175), wk = 0.0032051 k( 92) = ( 0.5973685 0.5000000 0.4026315), wk = 0.0032051 k( 93) = ( 0.5892544 0.5000000 0.4107456), wk = 0.0032051 k( 94) = ( 0.5811404 0.5000000 0.4188596), wk = 0.0032051 k( 95) = ( 0.5730263 0.5000000 0.4269737), wk = 0.0032051 k( 96) = ( 0.5649123 0.5000000 0.4350877), wk = 0.0032051 k( 97) = ( 0.5567983 0.5000000 0.4432017), wk = 0.0032051 k( 98) = ( 0.5486842 0.5000000 0.4513158), wk = 0.0032051 k( 99) = ( 0.5405702 0.5000000 0.4594298), wk = 0.0032051 k( 100) = ( 0.5324562 0.5000000 0.4675438), wk = 0.0032051 k( 101) = ( 0.5243421 0.5000000 0.4756579), wk = 0.0032051 k( 102) = ( 0.5162281 0.5000000 0.4837719), wk = 0.0032051 k( 103) = ( 0.5081140 0.5000000 0.4918860), wk = 0.0032051 k( 104) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032051 k( 105) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032051 k( 106) = ( 0.4910714 0.4910714 0.4910714), wk = 0.0032051 k( 107) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0032051 k( 108) = ( 0.4732143 0.4732143 0.4732143), wk = 0.0032051 k( 109) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0032051 k( 110) = ( 0.4553571 0.4553571 0.4553571), wk = 0.0032051 k( 111) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0032051 k( 112) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0032051 k( 113) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0032051 k( 114) = ( 0.4196429 0.4196429 0.4196429), wk = 0.0032051 k( 115) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0032051 k( 116) = ( 0.4017857 0.4017857 0.4017857), wk = 0.0032051 k( 117) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0032051 k( 118) = ( 0.3839286 0.3839286 0.3839286), wk = 0.0032051 k( 119) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0032051 k( 120) = ( 0.3660714 0.3660714 0.3660714), wk = 0.0032051 k( 121) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0032051 k( 122) = ( 0.3482143 0.3482143 0.3482143), wk = 0.0032051 k( 123) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0032051 k( 124) = ( 0.3303571 0.3303571 0.3303571), wk = 0.0032051 k( 125) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0032051 k( 126) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0032051 k( 127) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0032051 k( 128) = ( 0.2946429 0.2946429 0.2946429), wk = 0.0032051 k( 129) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0032051 k( 130) = ( 0.2767857 0.2767857 0.2767857), wk = 0.0032051 k( 131) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0032051 k( 132) = ( 0.2589286 0.2589286 0.2589286), wk = 0.0032051 k( 133) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032051 k( 134) = ( 0.2410714 0.2410714 0.2410714), wk = 0.0032051 k( 135) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0032051 k( 136) = ( 0.2232143 0.2232143 0.2232143), wk = 0.0032051 k( 137) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0032051 k( 138) = ( 0.2053571 0.2053571 0.2053571), wk = 0.0032051 k( 139) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0032051 k( 140) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0032051 k( 141) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0032051 k( 142) = ( 0.1696429 0.1696429 0.1696429), wk = 0.0032051 k( 143) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0032051 k( 144) = ( 0.1517857 0.1517857 0.1517857), wk = 0.0032051 k( 145) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0032051 k( 146) = ( 0.1339286 0.1339286 0.1339286), wk = 0.0032051 k( 147) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0032051 k( 148) = ( 0.1160714 0.1160714 0.1160714), wk = 0.0032051 k( 149) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0032051 k( 150) = ( 0.0982143 0.0982143 0.0982143), wk = 0.0032051 k( 151) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0032051 k( 152) = ( 0.0803571 0.0803571 0.0803571), wk = 0.0032051 k( 153) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0032051 k( 154) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0032051 k( 155) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0032051 k( 156) = ( 0.0446429 0.0446429 0.0446429), wk = 0.0032051 k( 157) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0032051 k( 158) = ( 0.0267857 0.0267857 0.0267857), wk = 0.0032051 k( 159) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0032051 k( 160) = ( 0.0089286 0.0089286 0.0089286), wk = 0.0032051 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 163) = ( 0.0082110 0.0000000 -0.0082110), wk = 0.0032051 k( 164) = ( 0.0164221 0.0000000 -0.0164221), wk = 0.0032051 k( 165) = ( 0.0246331 0.0000000 -0.0246331), wk = 0.0032051 k( 166) = ( 0.0328441 0.0000000 -0.0328441), wk = 0.0032051 k( 167) = ( 0.0410552 0.0000000 -0.0410552), wk = 0.0032051 k( 168) = ( 0.0492662 0.0000000 -0.0492662), wk = 0.0032051 k( 169) = ( 0.0574772 0.0000000 -0.0574772), wk = 0.0032051 k( 170) = ( 0.0656883 0.0000000 -0.0656883), wk = 0.0032051 k( 171) = ( 0.0738993 0.0000000 -0.0738993), wk = 0.0032051 k( 172) = ( 0.0821103 0.0000000 -0.0821103), wk = 0.0032051 k( 173) = ( 0.0903213 0.0000000 -0.0903213), wk = 0.0032051 k( 174) = ( 0.0985324 0.0000000 -0.0985324), wk = 0.0032051 k( 175) = ( 0.1067434 0.0000000 -0.1067434), wk = 0.0032051 k( 176) = ( 0.1149544 0.0000000 -0.1149544), wk = 0.0032051 k( 177) = ( 0.1231655 0.0000000 -0.1231655), wk = 0.0032051 k( 178) = ( 0.1313765 0.0000000 -0.1313765), wk = 0.0032051 k( 179) = ( 0.1395875 0.0000000 -0.1395875), wk = 0.0032051 k( 180) = ( 0.1477986 0.0000000 -0.1477986), wk = 0.0032051 k( 181) = ( 0.1560096 0.0000000 -0.1560096), wk = 0.0032051 k( 182) = ( 0.1642206 0.0000000 -0.1642206), wk = 0.0032051 k( 183) = ( 0.1724317 0.0000000 -0.1724317), wk = 0.0032051 k( 184) = ( 0.1806427 0.0000000 -0.1806427), wk = 0.0032051 k( 185) = ( 0.1888537 0.0000000 -0.1888537), wk = 0.0032051 k( 186) = ( 0.1970648 0.0000000 -0.1970648), wk = 0.0032051 k( 187) = ( 0.2052758 0.0000000 -0.2052758), wk = 0.0032051 k( 188) = ( 0.2134868 0.0000000 -0.2134868), wk = 0.0032051 k( 189) = ( 0.2216979 0.0000000 -0.2216979), wk = 0.0032051 k( 190) = ( 0.2299089 0.0000000 -0.2299089), wk = 0.0032051 k( 191) = ( 0.2381199 0.0000000 -0.2381199), wk = 0.0032051 k( 192) = ( 0.2463310 0.0000000 -0.2463310), wk = 0.0032051 k( 193) = ( 0.2545420 0.0000000 -0.2545420), wk = 0.0032051 k( 194) = ( 0.2627530 0.0000000 -0.2627530), wk = 0.0032051 k( 195) = ( 0.2709641 0.0000000 -0.2709640), wk = 0.0032051 k( 196) = ( 0.2791751 0.0000000 -0.2791751), wk = 0.0032051 k( 197) = ( 0.2873861 0.0000000 -0.2873861), wk = 0.0032051 k( 198) = ( 0.2955971 0.0000000 -0.2955971), wk = 0.0032051 k( 199) = ( 0.3038082 0.0000000 -0.3038082), wk = 0.0032051 k( 200) = ( 0.3120192 0.0000000 -0.3120192), wk = 0.0032051 k( 201) = ( 0.3202302 0.0000000 -0.3202302), wk = 0.0032051 k( 202) = ( 0.3284413 0.0000000 -0.3284413), wk = 0.0032051 k( 203) = ( 0.3366523 0.0000000 -0.3366523), wk = 0.0032051 k( 204) = ( 0.3448633 0.0000000 -0.3448633), wk = 0.0032051 k( 205) = ( 0.3530744 0.0000000 -0.3530744), wk = 0.0032051 k( 206) = ( 0.3612854 0.0000000 -0.3612854), wk = 0.0032051 k( 207) = ( 0.3694964 0.0000000 -0.3694964), wk = 0.0032051 k( 208) = ( 0.3777075 0.0000000 -0.3777075), wk = 0.0032051 k( 209) = ( 0.3859185 0.0000000 -0.3859185), wk = 0.0032051 k( 210) = ( 0.3941295 0.0000000 -0.3941295), wk = 0.0032051 k( 211) = ( 0.4023406 0.0000000 -0.4023406), wk = 0.0032051 k( 212) = ( 0.4105516 0.0000000 -0.4105516), wk = 0.0032051 k( 213) = ( 0.4187626 0.0000000 -0.4187626), wk = 0.0032051 k( 214) = ( 0.4269737 0.0000000 -0.4269737), wk = 0.0032051 k( 215) = ( 0.5730263 0.4269737 0.0000000), wk = 0.0032051 k( 216) = ( 0.5649123 0.4350877 0.0000000), wk = 0.0032051 k( 217) = ( 0.5567983 0.4432017 0.0000000), wk = 0.0032051 k( 218) = ( 0.5486842 0.4513158 0.0000000), wk = 0.0032051 k( 219) = ( 0.5405702 0.4594298 0.0000000), wk = 0.0032051 k( 220) = ( 0.5324562 0.4675438 0.0000000), wk = 0.0032051 k( 221) = ( 0.5243421 0.4756579 0.0000000), wk = 0.0032051 k( 222) = ( 0.5162281 0.4837719 0.0000000), wk = 0.0032051 k( 223) = ( 0.5081140 0.4918860 -0.0000000), wk = 0.0032051 k( 224) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032051 k( 225) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032051 k( 226) = ( 0.5027047 0.5027047 0.0131092), wk = 0.0032051 k( 227) = ( 0.5054094 0.5054094 0.0262183), wk = 0.0032051 k( 228) = ( 0.5081140 0.5081140 0.0393275), wk = 0.0032051 k( 229) = ( 0.5108187 0.5108187 0.0524366), wk = 0.0032051 k( 230) = ( 0.5135234 0.5135234 0.0655458), wk = 0.0032051 k( 231) = ( 0.5162281 0.5162281 0.0786550), wk = 0.0032051 k( 232) = ( 0.5189328 0.5189328 0.0917641), wk = 0.0032051 k( 233) = ( 0.5216374 0.5216374 0.1048733), wk = 0.0032051 k( 234) = ( 0.5243421 0.5243421 0.1179824), wk = 0.0032051 k( 235) = ( 0.5270468 0.5270468 0.1310916), wk = 0.0032051 k( 236) = ( 0.5297515 0.5297515 0.1442008), wk = 0.0032051 k( 237) = ( 0.5324562 0.5324562 0.1573099), wk = 0.0032051 k( 238) = ( 0.5351608 0.5351608 0.1704191), wk = 0.0032051 k( 239) = ( 0.5378655 0.5378655 0.1835282), wk = 0.0032051 k( 240) = ( 0.5405702 0.5405702 0.1966374), wk = 0.0032051 k( 241) = ( 0.5432749 0.5432749 0.2097466), wk = 0.0032051 k( 242) = ( 0.5459795 0.5459795 0.2228557), wk = 0.0032051 k( 243) = ( 0.5486842 0.5486842 0.2359649), wk = 0.0032051 k( 244) = ( 0.5513889 0.5513889 0.2490740), wk = 0.0032051 k( 245) = ( 0.5540936 0.5540936 0.2621832), wk = 0.0032051 k( 246) = ( 0.5567983 0.5567983 0.2752924), wk = 0.0032051 k( 247) = ( 0.5595029 0.5595029 0.2884015), wk = 0.0032051 k( 248) = ( 0.5622076 0.5622076 0.3015107), wk = 0.0032051 k( 249) = ( 0.5649123 0.5649123 0.3146198), wk = 0.0032051 k( 250) = ( 0.5676170 0.5676170 0.3277290), wk = 0.0032051 k( 251) = ( 0.5703217 0.5703217 0.3408382), wk = 0.0032051 k( 252) = ( 0.5730263 0.5730263 0.3539473), wk = 0.0032051 k( 253) = ( 0.5730263 0.5730263 0.3539473), wk = 0.0032051 k( 254) = ( 0.5684622 0.5684622 0.3630756), wk = 0.0032051 k( 255) = ( 0.5638981 0.5638981 0.3722039), wk = 0.0032051 k( 256) = ( 0.5593339 0.5593339 0.3813322), wk = 0.0032051 k( 257) = ( 0.5547698 0.5547698 0.3904605), wk = 0.0032051 k( 258) = ( 0.5502056 0.5502056 0.3995888), wk = 0.0032051 k( 259) = ( 0.5456415 0.5456415 0.4087171), wk = 0.0032051 k( 260) = ( 0.5410773 0.5410773 0.4178454), wk = 0.0032051 k( 261) = ( 0.5365132 0.5365132 0.4269737), wk = 0.0032051 k( 262) = ( 0.5319490 0.5319490 0.4361020), wk = 0.0032051 k( 263) = ( 0.5273849 0.5273849 0.4452302), wk = 0.0032051 k( 264) = ( 0.5228207 0.5228207 0.4543585), wk = 0.0032051 k( 265) = ( 0.5182566 0.5182566 0.4634868), wk = 0.0032051 k( 266) = ( 0.5136924 0.5136924 0.4726151), wk = 0.0032051 k( 267) = ( 0.5091283 0.5091283 0.4817434), wk = 0.0032051 k( 268) = ( 0.5045641 0.5045641 0.4908717), wk = 0.0032051 k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032051 k( 270) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 271) = ( 0.5034774 0.0101660 0.0101660), wk = 0.0032051 k( 272) = ( 0.5069549 0.0203321 0.0203321), wk = 0.0032051 k( 273) = ( 0.5104323 0.0304981 0.0304981), wk = 0.0032051 k( 274) = ( 0.5139098 0.0406642 0.0406642), wk = 0.0032051 k( 275) = ( 0.5173872 0.0508302 0.0508302), wk = 0.0032051 k( 276) = ( 0.5208647 0.0609962 0.0609962), wk = 0.0032051 k( 277) = ( 0.5243421 0.0711623 0.0711623), wk = 0.0032051 k( 278) = ( 0.5278196 0.0813283 0.0813283), wk = 0.0032051 k( 279) = ( 0.5312970 0.0914944 0.0914944), wk = 0.0032051 k( 280) = ( 0.5347745 0.1016604 0.1016604), wk = 0.0032051 k( 281) = ( 0.5382519 0.1118264 0.1118264), wk = 0.0032051 k( 282) = ( 0.5417293 0.1219925 0.1219925), wk = 0.0032051 k( 283) = ( 0.5452068 0.1321585 0.1321585), wk = 0.0032051 k( 284) = ( 0.5486842 0.1423246 0.1423245), wk = 0.0032051 k( 285) = ( 0.5521617 0.1524906 0.1524906), wk = 0.0032051 k( 286) = ( 0.5556391 0.1626566 0.1626566), wk = 0.0032051 k( 287) = ( 0.5591166 0.1728227 0.1728227), wk = 0.0032051 k( 288) = ( 0.5625940 0.1829887 0.1829887), wk = 0.0032051 k( 289) = ( 0.5660715 0.1931547 0.1931547), wk = 0.0032051 k( 290) = ( 0.5695489 0.2033208 0.2033208), wk = 0.0032051 k( 291) = ( 0.5730263 0.2134868 0.2134868), wk = 0.0032051 k( 292) = ( 0.5765038 0.2236529 0.2236529), wk = 0.0032051 k( 293) = ( 0.5799812 0.2338189 0.2338189), wk = 0.0032051 k( 294) = ( 0.5834587 0.2439850 0.2439849), wk = 0.0032051 k( 295) = ( 0.5869361 0.2541510 0.2541510), wk = 0.0032051 k( 296) = ( 0.5904136 0.2643170 0.2643170), wk = 0.0032051 k( 297) = ( 0.5938910 0.2744831 0.2744831), wk = 0.0032051 k( 298) = ( 0.5973685 0.2846491 0.2846491), wk = 0.0032051 k( 299) = ( 0.6008459 0.2948152 0.2948152), wk = 0.0032051 k( 300) = ( 0.6043234 0.3049812 0.3049812), wk = 0.0032051 k( 301) = ( 0.6078008 0.3151472 0.3151472), wk = 0.0032051 k( 302) = ( 0.6112782 0.3253133 0.3253133), wk = 0.0032051 k( 303) = ( 0.6147557 0.3354793 0.3354793), wk = 0.0032051 k( 304) = ( 0.6182331 0.3456453 0.3456453), wk = 0.0032051 k( 305) = ( 0.6217106 0.3558114 0.3558114), wk = 0.0032051 k( 306) = ( 0.6251880 0.3659774 0.3659774), wk = 0.0032051 k( 307) = ( 0.6286655 0.3761435 0.3761435), wk = 0.0032051 k( 308) = ( 0.6321429 0.3863095 0.3863095), wk = 0.0032051 k( 309) = ( 0.6356203 0.3964755 0.3964755), wk = 0.0032051 k( 310) = ( 0.6390978 0.4066416 0.4066416), wk = 0.0032051 k( 311) = ( 0.6425752 0.4168076 0.4168076), wk = 0.0032051 k( 312) = ( 0.6460527 0.4269737 0.4269737), wk = 0.0032051 Dense grid: 44053 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 19427 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 118, 42) NL pseudopotentials 0.08 Mb ( 59, 90) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 917) G-vector shells 0.01 Mb ( 784) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 118, 168) Each subspace H/S matrix 0.43 Mb ( 168, 168) Each matrix 0.12 Mb ( 90, 2, 42) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./AgNO3.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.5 secs Computing kpt #: 2 total cpu time spent up to now is 44.9 secs Computing kpt #: 3 total cpu time spent up to now is 46.2 secs Computing kpt #: 4 total cpu time spent up to now is 47.5 secs Computing kpt #: 5 total cpu time spent up to now is 48.8 secs Computing kpt #: 6 total cpu time spent up to now is 50.1 secs Computing kpt #: 7 total cpu time spent up to now is 51.5 secs Computing kpt #: 8 total cpu time spent up to now is 52.8 secs Computing kpt #: 9 total cpu time spent up to now is 53.9 secs Computing kpt #: 10 total cpu time spent up to now is 55.1 secs Computing kpt #: 11 total cpu time spent up to now is 56.3 secs Computing kpt #: 12 total cpu time spent up to now is 57.4 secs Computing kpt #: 13 total cpu time spent up to now is 58.4 secs Computing kpt #: 14 total cpu time spent up to now is 59.4 secs Computing kpt #: 15 total cpu time spent up to now is 60.3 secs Computing kpt #: 16 total cpu time spent up to now is 61.3 secs Computing kpt #: 17 total cpu time spent up to now is 62.3 secs Computing kpt #: 18 total cpu time spent up to now is 64.0 secs Computing kpt #: 19 total cpu time spent up to now is 66.6 secs Computing kpt #: 20 total cpu time spent up to now is 67.9 secs Computing kpt #: 21 total cpu time spent up to now is 69.0 secs Computing kpt #: 22 total cpu time spent up to now is 70.1 secs Computing kpt #: 23 total cpu time spent up to now is 71.3 secs Computing kpt #: 24 total cpu time spent up to now is 72.4 secs Computing kpt #: 25 total cpu time spent up to now is 73.6 secs Computing kpt #: 26 total cpu time spent up to now is 74.7 secs Computing kpt #: 27 total cpu time spent up to now is 75.9 secs Computing kpt #: 28 total cpu time spent up to now is 77.4 secs Computing kpt #: 29 total cpu time spent up to now is 78.7 secs Computing kpt #: 30 total cpu time spent up to now is 81.6 secs Computing kpt #: 31 total cpu time spent up to now is 83.7 secs Computing kpt #: 32 total cpu time spent up to now is 85.1 secs Computing kpt #: 33 total cpu time spent up to now is 86.4 secs Computing kpt #: 34 total cpu time spent up to now is 87.7 secs Computing kpt #: 35 total cpu time spent up to now is 89.3 secs Computing kpt #: 36 total cpu time spent up to now is 90.7 secs Computing kpt #: 37 total cpu time spent up to now is 92.1 secs Computing kpt #: 38 total cpu time spent up to now is 93.7 secs Computing kpt #: 39 total cpu time spent up to now is 95.0 secs Computing kpt #: 40 total cpu time spent up to now is 97.1 secs Computing kpt #: 41 total cpu time spent up to now is 101.0 secs Computing kpt #: 42 total cpu time spent up to now is 102.4 secs Computing kpt #: 43 total cpu time spent up to now is 104.0 secs Computing kpt #: 44 total cpu time spent up to now is 105.7 secs Computing kpt #: 45 total cpu time spent up to now is 107.6 secs Computing kpt #: 46 total cpu time spent up to now is 109.1 secs Computing kpt #: 47 total cpu time spent up to now is 110.8 secs Computing kpt #: 48 total cpu time spent up to now is 112.5 secs Computing kpt #: 49 total cpu time spent up to now is 114.3 secs Computing kpt #: 50 total cpu time spent up to now is 118.5 secs Computing kpt #: 51 total cpu time spent up to now is 120.2 secs Computing kpt #: 52 total cpu time spent up to now is 121.8 secs Computing kpt #: 53 total cpu time spent up to now is 123.3 secs Computing kpt #: 54 total cpu time spent up to now is 124.8 secs Computing kpt #: 55 total cpu time spent up to now is 126.4 secs Computing kpt #: 56 total cpu time spent up to now is 127.8 secs Computing kpt #: 57 total cpu time spent up to now is 129.5 secs Computing kpt #: 58 total cpu time spent up to now is 131.5 secs Computing kpt #: 59 total cpu time spent up to now is 135.7 secs Computing kpt #: 60 total cpu time spent up to now is 136.9 secs Computing kpt #: 61 total cpu time spent up to now is 138.5 secs Computing kpt #: 62 total cpu time spent up to now is 139.9 secs Computing kpt #: 63 total cpu time spent up to now is 141.1 secs Computing kpt #: 64 total cpu time spent up to now is 142.4 secs Computing kpt #: 65 total cpu time spent up to now is 144.1 secs Computing kpt #: 66 total cpu time spent up to now is 145.6 secs Computing kpt #: 67 total cpu time spent up to now is 147.0 secs Computing kpt #: 68 total cpu time spent up to now is 148.7 secs Computing kpt #: 69 total cpu time spent up to now is 150.6 secs Computing kpt #: 70 total cpu time spent up to now is 154.3 secs Computing kpt #: 71 total cpu time spent up to now is 155.9 secs Computing kpt #: 72 total cpu time spent up to now is 157.2 secs Computing kpt #: 73 total cpu time spent up to now is 158.5 secs Computing kpt #: 74 total cpu time spent up to now is 159.7 secs Computing kpt #: 75 total cpu time spent up to now is 160.9 secs Computing kpt #: 76 total cpu time spent up to now is 162.2 secs Computing kpt #: 77 total cpu time spent up to now is 163.4 secs Computing kpt #: 78 total cpu time spent up to now is 164.6 secs Computing kpt #: 79 total cpu time spent up to now is 165.8 secs Computing kpt #: 80 total cpu time spent up to now is 167.1 secs Computing kpt #: 81 total cpu time spent up to now is 168.3 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 173.2 secs Computing kpt #: 83 total cpu time spent up to now is 174.4 secs Computing kpt #: 84 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 176.6 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 178.9 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.1 secs Computing kpt #: 87 total cpu time spent up to now is 183.0 secs Computing kpt #: 88 total cpu time spent up to now is 184.3 secs Computing kpt #: 89 total cpu time spent up to now is 186.9 secs Computing kpt #: 90 total cpu time spent up to now is 189.8 secs Computing kpt #: 91 total cpu time spent up to now is 191.2 secs Computing kpt #: 92 total cpu time spent up to now is 192.3 secs Computing kpt #: 93 total cpu time spent up to now is 193.5 secs Computing kpt #: 94 total cpu time spent up to now is 194.6 secs Computing kpt #: 95 total cpu time spent up to now is 195.8 secs Computing kpt #: 96 total cpu time spent up to now is 197.1 secs Computing kpt #: 97 total cpu time spent up to now is 198.2 secs Computing kpt #: 98 total cpu time spent up to now is 199.3 secs Computing kpt #: 99 total cpu time spent up to now is 200.4 secs Computing kpt #: 100 total cpu time spent up to now is 201.6 secs Computing kpt #: 101 total cpu time spent up to now is 203.4 secs Computing kpt #: 102 total cpu time spent up to now is 205.7 secs Computing kpt #: 103 total cpu time spent up to now is 207.2 secs Computing kpt #: 104 total cpu time spent up to now is 208.1 secs Computing kpt #: 105 total cpu time spent up to now is 209.2 secs Computing kpt #: 106 total cpu time spent up to now is 210.1 secs Computing kpt #: 107 total cpu time spent up to now is 211.0 secs Computing kpt #: 108 total cpu time spent up to now is 211.9 secs Computing kpt #: 109 total cpu time spent up to now is 212.9 secs Computing kpt #: 110 total cpu time spent up to now is 214.0 secs Computing kpt #: 111 total cpu time spent up to now is 215.1 secs Computing kpt #: 112 total cpu time spent up to now is 216.3 secs Computing kpt #: 113 total cpu time spent up to now is 217.2 secs Computing kpt #: 114 total cpu time spent up to now is 218.3 secs Computing kpt #: 115 total cpu time spent up to now is 219.3 secs Computing kpt #: 116 total cpu time spent up to now is 221.7 secs Computing kpt #: 117 total cpu time spent up to now is 223.5 secs Computing kpt #: 118 total cpu time spent up to now is 224.5 secs Computing kpt #: 119 total cpu time spent up to now is 225.4 secs Computing kpt #: 120 total cpu time spent up to now is 226.3 secs Computing kpt #: 121 total cpu time spent up to now is 227.5 secs Computing kpt #: 122 total cpu time spent up to now is 228.5 secs Computing kpt #: 123 total cpu time spent up to now is 229.6 secs Computing kpt #: 124 total cpu time spent up to now is 230.6 secs Computing kpt #: 125 total cpu time spent up to now is 231.5 secs Computing kpt #: 126 total cpu time spent up to now is 232.7 secs Computing kpt #: 127 total cpu time spent up to now is 233.8 secs Computing kpt #: 128 total cpu time spent up to now is 235.0 secs Computing kpt #: 129 total cpu time spent up to now is 235.9 secs Computing kpt #: 130 total cpu time spent up to now is 238.2 secs Computing kpt #: 131 total cpu time spent up to now is 240.5 secs Computing kpt #: 132 total cpu time spent up to now is 241.6 secs Computing kpt #: 133 total cpu time spent up to now is 242.4 secs Computing kpt #: 134 total cpu time spent up to now is 243.3 secs Computing kpt #: 135 total cpu time spent up to now is 244.2 secs Computing kpt #: 136 total cpu time spent up to now is 245.2 secs Computing kpt #: 137 total cpu time spent up to now is 246.1 secs Computing kpt #: 138 total cpu time spent up to now is 247.0 secs Computing kpt #: 139 total cpu time spent up to now is 248.0 secs Computing kpt #: 140 total cpu time spent up to now is 249.2 secs Computing kpt #: 141 total cpu time spent up to now is 250.1 secs Computing kpt #: 142 total cpu time spent up to now is 251.3 secs Computing kpt #: 143 total cpu time spent up to now is 252.4 secs Computing kpt #: 144 total cpu time spent up to now is 253.6 secs Computing kpt #: 145 total cpu time spent up to now is 255.7 secs Computing kpt #: 146 total cpu time spent up to now is 258.5 secs Computing kpt #: 147 total cpu time spent up to now is 259.7 secs Computing kpt #: 148 total cpu time spent up to now is 260.8 secs Computing kpt #: 149 total cpu time spent up to now is 262.0 secs Computing kpt #: 150 total cpu time spent up to now is 263.2 secs Computing kpt #: 151 total cpu time spent up to now is 264.4 secs Computing kpt #: 152 total cpu time spent up to now is 265.5 secs Computing kpt #: 153 total cpu time spent up to now is 266.7 secs Computing kpt #: 154 total cpu time spent up to now is 267.9 secs Computing kpt #: 155 total cpu time spent up to now is 269.2 secs Computing kpt #: 156 total cpu time spent up to now is 270.6 secs Computing kpt #: 157 total cpu time spent up to now is 271.9 secs Computing kpt #: 158 total cpu time spent up to now is 273.3 secs Computing kpt #: 159 total cpu time spent up to now is 274.6 secs Computing kpt #: 160 total cpu time spent up to now is 275.9 secs Computing kpt #: 161 total cpu time spent up to now is 277.2 secs Computing kpt #: 162 total cpu time spent up to now is 279.3 secs Computing kpt #: 163 total cpu time spent up to now is 281.4 secs Computing kpt #: 164 total cpu time spent up to now is 282.8 secs Computing kpt #: 165 total cpu time spent up to now is 284.9 secs Computing kpt #: 166 total cpu time spent up to now is 286.3 secs Computing kpt #: 167 total cpu time spent up to now is 287.5 secs Computing kpt #: 168 total cpu time spent up to now is 288.8 secs Computing kpt #: 169 total cpu time spent up to now is 290.0 secs Computing kpt #: 170 total cpu time spent up to now is 291.2 secs Computing kpt #: 171 total cpu time spent up to now is 292.6 secs Computing kpt #: 172 total cpu time spent up to now is 293.8 secs Computing kpt #: 173 total cpu time spent up to now is 295.0 secs Computing kpt #: 174 total cpu time spent up to now is 296.3 secs Computing kpt #: 175 total cpu time spent up to now is 297.4 secs Computing kpt #: 176 total cpu time spent up to now is 298.5 secs Computing kpt #: 177 total cpu time spent up to now is 299.6 secs Computing kpt #: 178 total cpu time spent up to now is 300.6 secs Computing kpt #: 179 total cpu time spent up to now is 301.4 secs Computing kpt #: 180 total cpu time spent up to now is 302.2 secs Computing kpt #: 181 total cpu time spent up to now is 303.1 secs Computing kpt #: 182 total cpu time spent up to now is 304.1 secs Computing kpt #: 183 total cpu time spent up to now is 305.0 secs Computing kpt #: 184 total cpu time spent up to now is 305.9 secs Computing kpt #: 185 total cpu time spent up to now is 306.7 secs Computing kpt #: 186 total cpu time spent up to now is 307.7 secs Computing kpt #: 187 total cpu time spent up to now is 308.4 secs Computing kpt #: 188 total cpu time spent up to now is 309.3 secs Computing kpt #: 189 total cpu time spent up to now is 310.0 secs Computing kpt #: 190 total cpu time spent up to now is 310.9 secs Computing kpt #: 191 total cpu time spent up to now is 311.7 secs Computing kpt #: 192 total cpu time spent up to now is 312.6 secs Computing kpt #: 193 total cpu time spent up to now is 313.4 secs Computing kpt #: 194 total cpu time spent up to now is 314.2 secs Computing kpt #: 195 total cpu time spent up to now is 314.9 secs Computing kpt #: 196 total cpu time spent up to now is 315.7 secs Computing kpt #: 197 total cpu time spent up to now is 316.6 secs Computing kpt #: 198 total cpu time spent up to now is 317.6 secs Computing kpt #: 199 total cpu time spent up to now is 318.4 secs Computing kpt #: 200 total cpu time spent up to now is 319.2 secs Computing kpt #: 201 total cpu time spent up to now is 320.0 secs Computing kpt #: 202 total cpu time spent up to now is 320.8 secs Computing kpt #: 203 total cpu time spent up to now is 321.6 secs Computing kpt #: 204 total cpu time spent up to now is 322.3 secs Computing kpt #: 205 total cpu time spent up to now is 323.1 secs Computing kpt #: 206 total cpu time spent up to now is 323.9 secs Computing kpt #: 207 total cpu time spent up to now is 324.6 secs Computing kpt #: 208 total cpu time spent up to now is 325.4 secs Computing kpt #: 209 total cpu time spent up to now is 326.3 secs Computing kpt #: 210 total cpu time spent up to now is 327.3 secs Computing kpt #: 211 total cpu time spent up to now is 328.0 secs Computing kpt #: 212 total cpu time spent up to now is 329.0 secs Computing kpt #: 213 total cpu time spent up to now is 330.0 secs Computing kpt #: 214 total cpu time spent up to now is 331.0 secs Computing kpt #: 215 total cpu time spent up to now is 331.9 secs Computing kpt #: 216 total cpu time spent up to now is 332.9 secs Computing kpt #: 217 total cpu time spent up to now is 334.2 secs Computing kpt #: 218 total cpu time spent up to now is 335.7 secs Computing kpt #: 219 total cpu time spent up to now is 336.7 secs Computing kpt #: 220 total cpu time spent up to now is 338.0 secs Computing kpt #: 221 total cpu time spent up to now is 339.0 secs Computing kpt #: 222 total cpu time spent up to now is 340.0 secs Computing kpt #: 223 total cpu time spent up to now is 341.1 secs Computing kpt #: 224 total cpu time spent up to now is 342.1 secs Computing kpt #: 225 total cpu time spent up to now is 343.1 secs Computing kpt #: 226 total cpu time spent up to now is 344.1 secs Computing kpt #: 227 total cpu time spent up to now is 345.2 secs Computing kpt #: 228 total cpu time spent up to now is 346.3 secs Computing kpt #: 229 total cpu time spent up to now is 347.3 secs Computing kpt #: 230 total cpu time spent up to now is 348.3 secs Computing kpt #: 231 total cpu time spent up to now is 349.4 secs Computing kpt #: 232 total cpu time spent up to now is 350.5 secs Computing kpt #: 233 total cpu time spent up to now is 351.5 secs Computing kpt #: 234 total cpu time spent up to now is 352.6 secs Computing kpt #: 235 total cpu time spent up to now is 353.8 secs Computing kpt #: 236 total cpu time spent up to now is 354.9 secs Computing kpt #: 237 total cpu time spent up to now is 356.0 secs Computing kpt #: 238 total cpu time spent up to now is 357.1 secs Computing kpt #: 239 total cpu time spent up to now is 358.2 secs Computing kpt #: 240 total cpu time spent up to now is 359.3 secs Computing kpt #: 241 total cpu time spent up to now is 360.5 secs Computing kpt #: 242 total cpu time spent up to now is 361.6 secs Computing kpt #: 243 total cpu time spent up to now is 362.7 secs Computing kpt #: 244 total cpu time spent up to now is 363.8 secs Computing kpt #: 245 total cpu time spent up to now is 364.9 secs Computing kpt #: 246 total cpu time spent up to now is 366.1 secs Computing kpt #: 247 total cpu time spent up to now is 367.5 secs Computing kpt #: 248 total cpu time spent up to now is 369.0 secs Computing kpt #: 249 total cpu time spent up to now is 370.1 secs Computing kpt #: 250 total cpu time spent up to now is 371.3 secs Computing kpt #: 251 total cpu time spent up to now is 372.5 secs Computing kpt #: 252 total cpu time spent up to now is 373.6 secs Computing kpt #: 253 total cpu time spent up to now is 374.8 secs Computing kpt #: 254 total cpu time spent up to now is 376.0 secs Computing kpt #: 255 total cpu time spent up to now is 377.1 secs Computing kpt #: 256 total cpu time spent up to now is 378.4 secs Computing kpt #: 257 total cpu time spent up to now is 379.6 secs Computing kpt #: 258 total cpu time spent up to now is 380.7 secs Computing kpt #: 259 total cpu time spent up to now is 381.8 secs Computing kpt #: 260 total cpu time spent up to now is 382.9 secs Computing kpt #: 261 total cpu time spent up to now is 384.2 secs Computing kpt #: 262 total cpu time spent up to now is 385.2 secs Computing kpt #: 263 total cpu time spent up to now is 386.2 secs Computing kpt #: 264 total cpu time spent up to now is 387.1 secs Computing kpt #: 265 total cpu time spent up to now is 388.2 secs Computing kpt #: 266 total cpu time spent up to now is 389.2 secs Computing kpt #: 267 total cpu time spent up to now is 390.1 secs Computing kpt #: 268 total cpu time spent up to now is 391.0 secs Computing kpt #: 269 total cpu time spent up to now is 391.9 secs Computing kpt #: 270 total cpu time spent up to now is 395.1 secs Computing kpt #: 271 total cpu time spent up to now is 396.9 secs Computing kpt #: 272 total cpu time spent up to now is 398.6 secs Computing kpt #: 273 total cpu time spent up to now is 400.1 secs Computing kpt #: 274 total cpu time spent up to now is 401.7 secs Computing kpt #: 275 total cpu time spent up to now is 403.2 secs Computing kpt #: 276 total cpu time spent up to now is 404.7 secs Computing kpt #: 277 total cpu time spent up to now is 406.2 secs Computing kpt #: 278 total cpu time spent up to now is 407.6 secs Computing kpt #: 279 total cpu time spent up to now is 409.1 secs Computing kpt #: 280 total cpu time spent up to now is 410.4 secs Computing kpt #: 281 total cpu time spent up to now is 411.8 secs Computing kpt #: 282 total cpu time spent up to now is 413.1 secs Computing kpt #: 283 total cpu time spent up to now is 414.4 secs Computing kpt #: 284 total cpu time spent up to now is 415.7 secs Computing kpt #: 285 total cpu time spent up to now is 416.9 secs Computing kpt #: 286 total cpu time spent up to now is 418.0 secs Computing kpt #: 287 total cpu time spent up to now is 419.1 secs Computing kpt #: 288 total cpu time spent up to now is 420.3 secs Computing kpt #: 289 total cpu time spent up to now is 421.6 secs Computing kpt #: 290 total cpu time spent up to now is 422.7 secs Computing kpt #: 291 total cpu time spent up to now is 423.8 secs Computing kpt #: 292 total cpu time spent up to now is 424.9 secs Computing kpt #: 293 total cpu time spent up to now is 426.0 secs Computing kpt #: 294 total cpu time spent up to now is 427.1 secs Computing kpt #: 295 total cpu time spent up to now is 428.3 secs Computing kpt #: 296 total cpu time spent up to now is 429.3 secs Computing kpt #: 297 total cpu time spent up to now is 430.4 secs Computing kpt #: 298 total cpu time spent up to now is 431.5 secs Computing kpt #: 299 total cpu time spent up to now is 432.6 secs Computing kpt #: 300 total cpu time spent up to now is 433.6 secs Computing kpt #: 301 total cpu time spent up to now is 434.6 secs Computing kpt #: 302 total cpu time spent up to now is 435.6 secs Computing kpt #: 303 total cpu time spent up to now is 436.6 secs Computing kpt #: 304 total cpu time spent up to now is 437.6 secs Computing kpt #: 305 total cpu time spent up to now is 438.7 secs Computing kpt #: 306 total cpu time spent up to now is 439.7 secs Computing kpt #: 307 total cpu time spent up to now is 440.8 secs Computing kpt #: 308 total cpu time spent up to now is 441.9 secs Computing kpt #: 309 total cpu time spent up to now is 442.8 secs Computing kpt #: 310 total cpu time spent up to now is 443.9 secs Computing kpt #: 311 total cpu time spent up to now is 445.0 secs Computing kpt #: 312 total cpu time spent up to now is 445.9 secs ethr = 2.94E-11, avg # of iterations = 43.6 total cpu time spent up to now is 446.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2483 PWs) bands (ev): -23.6318 -23.6318 -17.4607 -17.4607 -17.4579 -17.4579 -5.9691 -5.9691 -4.7785 -4.7785 -3.6711 -3.6711 -3.6658 -3.6658 1.1560 1.1560 1.1895 1.1895 1.2159 1.2159 1.2371 1.2371 2.3898 2.3898 2.5646 2.5646 2.8423 2.8423 3.3022 3.3022 3.4097 3.4097 3.6763 3.6763 6.2903 6.2903 8.1321 8.1321 12.7453 12.7453 14.5793 14.5793 k = 0.0125-0.0026-0.0022 ( 2465 PWs) bands (ev): -23.6318 -23.6318 -17.4608 -17.4607 -17.4579 -17.4579 -5.9684 -5.9684 -4.7788 -4.7788 -3.6712 -3.6711 -3.6658 -3.6658 1.1508 1.1586 1.1872 1.1878 1.2162 1.2182 1.2352 1.2412 2.3840 2.3953 2.5613 2.5671 2.8393 2.8445 3.3000 3.3042 3.4078 3.4107 3.6775 3.6784 6.2924 6.2928 8.1325 8.1325 12.7446 12.7448 14.5577 14.5884 k = 0.0250-0.0053-0.0044 ( 2463 PWs) bands (ev): -23.6317 -23.6317 -17.4609 -17.4609 -17.4581 -17.4581 -5.9664 -5.9663 -4.7796 -4.7795 -3.6715 -3.6713 -3.6658 -3.6657 1.1431 1.1574 1.1834 1.1838 1.2151 1.2208 1.2375 1.2472 2.3777 2.4001 2.5572 2.5686 2.8355 2.8456 3.2972 3.3052 3.4044 3.4104 3.6819 3.6837 6.2991 6.2998 8.1336 8.1337 12.7426 12.7430 14.5221 14.5842 k = 0.0375-0.0079-0.0067 ( 2467 PWs) bands (ev): -23.6315 -23.6315 -17.4613 -17.4613 -17.4583 -17.4583 -5.9630 -5.9628 -4.7809 -4.7808 -3.6722 -3.6719 -3.6655 -3.6654 1.1333 1.1511 1.1789 1.1817 1.2101 1.2223 1.2445 1.2552 2.3709 2.4041 2.5523 2.5692 2.8311 2.8456 3.2940 3.3055 3.3999 3.4092 3.6895 3.6917 6.3102 6.3113 8.1354 8.1355 12.7392 12.7397 14.4718 14.5625 k = 0.0500-0.0105-0.0089 ( 2465 PWs) bands (ev): -23.6312 -23.6312 -17.4618 -17.4618 -17.4585 -17.4585 -5.9582 -5.9580 -4.7826 -4.7825 -3.6736 -3.6732 -3.6647 -3.6646 1.1220 1.1409 1.1726 1.1812 1.2034 1.2234 1.2537 1.2642 2.3637 2.4074 2.5468 2.5690 2.8263 2.8446 3.2907 3.3049 3.3946 3.4073 3.7000 3.7023 6.3258 6.3272 8.1380 8.1382 12.7338 12.7345 14.4086 14.5190 k = 0.0625-0.0132-0.0111 ( 2463 PWs) bands (ev): -23.6309 -23.6309 -17.4626 -17.4626 -17.4586 -17.4586 -5.9521 -5.9518 -4.7849 -4.7848 -3.6756 -3.6750 -3.6634 -3.6634 1.1096 1.1286 1.1640 1.1771 1.1997 1.2252 1.2635 1.2737 2.3562 2.4096 2.5408 2.5678 2.8212 2.8425 3.2872 3.3032 3.3889 3.4050 3.7130 3.7150 6.3458 6.3474 8.1413 8.1415 12.7261 12.7268 14.3365 14.4565 k = 0.0750-0.0158-0.0133 ( 2462 PWs) bands (ev): -23.6305 -23.6305 -17.4637 -17.4637 -17.4587 -17.4587 -5.9447 -5.9443 -4.7877 -4.7875 -3.6782 -3.6775 -3.6617 -3.6616 1.0966 1.1151 1.1526 1.1661 1.2018 1.2286 1.2735 1.2832 2.3484 2.4106 2.5346 2.5655 2.8161 2.8395 3.2838 3.3002 3.3831 3.4025 3.7280 3.7294 6.3699 6.3718 8.1454 8.1457 12.7152 12.7159 14.2600 14.3828 k = 0.0875-0.0184-0.0155 ( 2456 PWs) bands (ev): -23.6300 -23.6300 -17.4650 -17.4650 -17.4588 -17.4588 -5.9360 -5.9355 -4.7909 -4.7907 -3.6814 -3.6806 -3.6595 -3.6595 1.0832 1.1008 1.1382 1.1509 1.2073 1.2337 1.2833 1.2925 2.3402 2.4099 2.5285 2.5624 2.8111 2.8357 3.2806 3.2958 3.3778 3.3997 3.7448 3.7452 6.3981 6.4002 8.1503 8.1507 12.7002 12.7008 14.1831 14.3054 k = 0.1000-0.0211-0.0177 ( 2456 PWs) bands (ev): -23.6294 -23.6294 -17.4665 -17.4665 -17.4588 -17.4588 -5.9260 -5.9255 -4.7945 -4.7943 -3.6852 -3.6842 -3.6571 -3.6570 1.0695 1.0857 1.1210 1.1334 1.2144 1.2403 1.2927 1.3014 2.3316 2.4072 2.5230 2.5581 2.8063 2.8314 3.2776 3.2896 3.3734 3.3969 3.7622 3.7629 6.4301 6.4324 8.1559 8.1564 12.6803 12.6805 14.1089 14.2291 k = 0.1125-0.0237-0.0200 ( 2455 PWs) bands (ev): -23.6288 -23.6288 -17.4683 -17.4682 -17.4588 -17.4588 -5.9148 -5.9142 -4.7986 -4.7983 -3.6894 -3.6883 -3.6543 -3.6542 1.0557 1.0697 1.1014 1.1144 1.2227 1.2483 1.3018 1.3100 2.3227 2.4020 2.5185 2.5527 2.8019 2.8267 3.2748 3.2818 3.3701 3.3941 3.7801 3.7820 6.4659 6.4682 8.1624 8.1630 12.6539 12.6543 14.0402 14.1576 k = 0.1250-0.0264-0.0222 ( 2453 PWs) bands (ev): -23.6282 -23.6282 -17.4702 -17.4701 -17.4587 -17.4587 -5.9024 -5.9017 -4.8031 -4.8028 -3.6942 -3.6930 -3.6512 -3.6511 1.0418 1.0522 1.0796 1.0949 1.2320 1.2574 1.3104 1.3181 2.3135 2.3942 2.5153 2.5463 2.7980 2.8219 3.2723 3.2723 3.3679 3.3914 3.7987 3.8019 6.5050 6.5074 8.1697 8.1705 12.6197 12.6211 13.9792 14.0933 k = 0.1375-0.0290-0.0244 ( 2450 PWs) bands (ev): -23.6275 -23.6274 -17.4722 -17.4722 -17.4587 -17.4587 -5.8888 -5.8881 -4.8079 -4.8076 -3.6994 -3.6981 -3.6478 -3.6478 1.0278 1.0328 1.0560 1.0756 1.2422 1.2676 1.3184 1.3258 2.3038 2.3837 2.5135 2.5388 2.7947 2.8172 3.2614 3.2698 3.3668 3.3888 3.8178 3.8224 6.5474 6.5498 8.1778 8.1788 12.5772 12.5798 13.9277 14.0381 k = 0.1500-0.0316-0.0266 ( 2448 PWs) bands (ev): -23.6267 -23.6267 -17.4745 -17.4744 -17.4586 -17.4586 -5.8741 -5.8734 -4.8132 -4.8128 -3.7052 -3.7038 -3.6442 -3.6442 1.0109 1.0134 1.0313 1.0574 1.2532 1.2785 1.3260 1.3332 2.2937 2.3708 2.5131 2.5305 2.7919 2.8128 3.2492 3.2673 3.3667 3.3865 3.8373 3.8432 6.5928 6.5951 8.1868 8.1881 12.5258 12.5300 13.8866 13.9933 k = 0.1625-0.0343-0.0288 ( 2445 PWs) bands (ev): -23.6259 -23.6258 -17.4768 -17.4768 -17.4585 -17.4585 -5.8584 -5.8576 -4.8187 -4.8184 -3.7114 -3.7099 -3.6404 -3.6403 0.9864 0.9960 1.0082 1.0406 1.2648 1.2901 1.3330 1.3403 2.2832 2.3557 2.5137 2.5213 2.7897 2.8088 3.2359 3.2646 3.3675 3.3844 3.8570 3.8641 6.6409 6.6431 8.1967 8.1983 12.4655 12.4714 13.8566 13.9595 k = 0.1750-0.0369-0.0310 ( 2439 PWs) bands (ev): -23.6250 -23.6250 -17.4793 -17.4793 -17.4585 -17.4585 -5.8417 -5.8408 -4.8246 -4.8242 -3.7181 -3.7165 -3.6363 -3.6363 0.9597 0.9712 0.9916 1.0251 1.2770 1.3019 1.3396 1.3473 2.2722 2.3390 2.5115 2.5153 2.7882 2.8054 3.2218 3.2615 3.3690 3.3828 3.8768 3.8851 6.6915 6.6935 8.2076 8.2095 12.3967 12.4043 13.8375 13.9368 k = 0.1875-0.0395-0.0333 ( 2439 PWs) bands (ev): -23.6241 -23.6241 -17.4819 -17.4819 -17.4584 -17.4584 -5.8240 -5.8231 -4.8308 -4.8304 -3.7253 -3.7236 -3.6321 -3.6321 0.9314 0.9426 0.9780 1.0106 1.2897 1.3137 1.3457 1.3546 2.2605 2.3208 2.5013 2.5175 2.7873 2.8026 3.2069 3.2579 3.3710 3.3817 3.8966 3.9059 6.7442 6.7460 8.2195 8.2217 12.3202 12.3294 13.8288 13.9248 k = 0.2000-0.0422-0.0355 ( 2438 PWs) bands (ev): -23.6232 -23.6232 -17.4846 -17.4845 -17.4583 -17.4583 -5.8055 -5.8045 -4.8372 -4.8368 -3.7328 -3.7311 -3.6278 -3.6277 0.9018 0.9126 0.9653 0.9969 1.3026 1.3248 1.3516 1.3627 2.2483 2.3015 2.4910 2.5202 2.7871 2.8005 3.1914 3.2535 3.3736 3.3813 3.9162 3.9265 6.7989 6.8004 8.2324 8.2349 12.2370 12.2477 13.8296 13.9227 k = 0.2125-0.0448-0.0377 ( 2442 PWs) bands (ev): -23.6222 -23.6222 -17.4873 -17.4873 -17.4582 -17.4582 -5.7862 -5.7852 -4.8439 -4.8435 -3.7408 -3.7391 -3.6233 -3.6232 0.8715 0.8819 0.9532 0.9838 1.3155 1.3344 1.3575 1.3721 2.2353 2.2814 2.4807 2.5232 2.7874 2.7989 3.1753 3.2483 3.3765 3.3815 3.9356 3.9467 6.8551 6.8562 8.2463 8.2493 12.1483 12.1602 13.8389 13.9295 k = 0.2250-0.0474-0.0399 ( 2442 PWs) bands (ev): -23.6213 -23.6213 -17.4901 -17.4901 -17.4581 -17.4581 -5.7661 -5.7651 -4.8508 -4.8504 -3.7492 -3.7474 -3.6187 -3.6186 0.8406 0.8506 0.9416 0.9713 1.3280 1.3422 1.3637 1.3834 2.2217 2.2607 2.4709 2.5264 2.7885 2.7980 3.1587 3.2421 3.3799 3.3824 3.9548 3.9665 6.9126 6.9133 8.2614 8.2649 12.0552 12.0680 13.8557 13.9444 k = 0.2375-0.0501-0.0421 ( 2436 PWs) bands (ev): -23.6203 -23.6203 -17.4930 -17.4929 -17.4580 -17.4580 -5.7455 -5.7444 -4.8579 -4.8574 -3.7579 -3.7561 -3.6140 -3.6139 0.8095 0.8192 0.9305 0.9593 1.3391 1.3482 1.3711 1.3963 2.2074 2.2397 2.4616 2.5298 2.7901 2.7976 3.1418 3.2349 3.3837 3.3841 3.9735 3.9858 6.9711 6.9713 8.2778 8.2817 11.9588 11.9722 13.8791 13.9662 k = 0.2500-0.0527-0.0444 ( 2439 PWs) bands (ev): -23.6193 -23.6193 -17.4958 -17.4958 -17.4579 -17.4579 -5.7243 -5.7232 -4.8651 -4.8647 -3.7670 -3.7651 -3.6093 -3.6092 0.7783 0.7877 0.9199 0.9479 1.3480 1.3528 1.3804 1.4105 2.1924 2.2185 2.4531 2.5333 2.7923 2.7976 3.1245 3.2267 3.3865 3.3876 3.9919 4.0045 7.0299 7.0301 8.2953 8.2998 11.8600 11.8737 13.9081 13.9942 k = 0.2625-0.0553-0.0466 ( 2439 PWs) bands (ev): -23.6183 -23.6183 -17.4987 -17.4986 -17.4578 -17.4578 -5.7026 -5.7015 -4.8725 -4.8721 -3.7763 -3.7744 -3.6045 -3.6045 0.7474 0.7564 0.9098 0.9369 1.3544 1.3563 1.3920 1.4254 2.1768 2.1973 2.4456 2.5368 2.7951 2.7981 3.1069 3.2175 3.3894 3.3918 4.0097 4.0226 7.0887 7.0895 8.3143 8.3192 11.7597 11.7734 13.9420 14.0274 k = 0.2750-0.0580-0.0488 ( 2435 PWs) bands (ev): -23.6173 -23.6173 -17.5015 -17.5015 -17.4577 -17.4577 -5.6806 -5.6795 -4.8800 -4.8796 -3.7858 -3.7839 -3.5998 -3.5997 0.7169 0.7256 0.9002 0.9264 1.3590 1.3590 1.4053 1.4408 2.1606 2.1763 2.4391 2.5402 2.7984 2.7990 3.0891 3.2073 3.3928 3.3962 4.0269 4.0400 7.1474 7.1487 8.3347 8.3402 11.6584 11.6720 13.9801 14.0652 k = 0.2875-0.0606-0.0510 ( 2436 PWs) bands (ev): -23.6164 -23.6164 -17.5043 -17.5043 -17.4576 -17.4576 -5.6584 -5.6573 -4.8877 -4.8872 -3.7955 -3.7936 -3.5952 -3.5951 0.6869 0.6953 0.8912 0.9164 1.3612 1.3622 1.4194 1.4563 2.1441 2.1555 2.4339 2.5435 2.8002 2.8023 3.0711 3.1963 3.3966 3.4007 4.0435 4.0566 7.2055 7.2074 8.3566 8.3627 11.5569 11.5702 14.0217 14.1069 k = 0.3000-0.0633-0.0532 ( 2438 PWs) bands (ev): -23.6154 -23.6154 -17.5070 -17.5070 -17.4575 -17.4575 -5.6360 -5.6349 -4.8954 -4.8950 -3.8053 -3.8035 -3.5906 -3.5905 0.6578 0.6658 0.8827 0.9070 1.3630 1.3646 1.4340 1.4718 2.1272 2.1351 2.4298 2.5467 2.8016 2.8068 3.0531 3.1845 3.4007 3.4052 4.0594 4.0724 7.2627 7.2652 8.3802 8.3868 11.4557 11.4684 14.0663 14.1518 k = 0.3125-0.0659-0.0554 ( 2440 PWs) bands (ev): -23.6145 -23.6145 -17.5097 -17.5097 -17.4574 -17.4574 -5.6137 -5.6126 -4.9031 -4.9027 -3.8152 -3.8133 -3.5861 -3.5860 0.6296 0.6371 0.8748 0.8980 1.3643 1.3665 1.4487 1.4870 2.1103 2.1153 2.4271 2.5496 2.8032 2.8117 3.0351 3.1719 3.4050 3.4097 4.0747 4.0874 7.3185 7.3216 8.4055 8.4127 11.3553 11.3674 14.1135 14.1993 k = 0.3250-0.0685-0.0577 ( 2440 PWs) bands (ev): -23.6136 -23.6136 -17.5123 -17.5123 -17.4573 -17.4573 -5.5915 -5.5904 -4.9109 -4.9105 -3.8250 -3.8232 -3.5817 -3.5816 0.6024 0.6096 0.8674 0.8895 1.3655 1.3680 1.4634 1.5018 2.0934 2.0961 2.4256 2.5522 2.8050 2.8172 3.0173 3.1587 3.4095 3.4142 4.0891 4.1015 7.3726 7.3762 8.4327 8.4403 11.2562 11.2675 14.1625 14.2490 k = 0.3375-0.0712-0.0599 ( 2435 PWs) bands (ev): -23.6127 -23.6127 -17.5148 -17.5148 -17.4572 -17.4572 -5.5695 -5.5685 -4.9187 -4.9183 -3.8347 -3.8329 -3.5775 -3.5774 0.5766 0.5833 0.8607 0.8815 1.3664 1.3691 1.4778 1.5161 2.0768 2.0778 2.4254 2.5544 2.8069 2.8231 2.9997 3.1449 3.4140 3.4187 4.1028 4.1148 7.4245 7.4286 8.4617 8.4697 11.1588 11.1693 14.2131 14.3003 k = 0.3500-0.0738-0.0621 ( 2437 PWs) bands (ev): -23.6119 -23.6119 -17.5172 -17.5171 -17.4571 -17.4571 -5.5480 -5.5470 -4.9264 -4.9260 -3.8442 -3.8425 -3.5735 -3.5734 0.5521 0.5584 0.8544 0.8741 1.3672 1.3700 1.4919 1.5296 2.0603 2.0605 2.4263 2.5562 2.8089 2.8295 2.9825 3.1307 3.4184 3.4230 4.1157 4.1270 7.4738 7.4783 8.4925 8.5008 11.0636 11.0733 14.2647 14.3524 k = 0.3625-0.0764-0.0643 ( 2438 PWs) bands (ev): -23.6112 -23.6111 -17.5194 -17.5194 -17.4571 -17.4571 -5.5271 -5.5261 -4.9340 -4.9337 -3.8534 -3.8518 -3.5697 -3.5696 0.5291 0.5349 0.8488 0.8671 1.3678 1.3707 1.5055 1.5424 2.0437 2.0448 2.4286 2.5574 2.8110 2.8364 2.9659 3.1160 3.4228 3.4271 4.1276 4.1384 7.5202 7.5249 8.5250 8.5335 10.9711 10.9799 14.3168 14.4048 k = 0.3750-0.0791-0.0665 ( 2437 PWs) bands (ev): -23.6104 -23.6104 -17.5215 -17.5215 -17.4570 -17.4570 -5.5069 -5.5060 -4.9415 -4.9412 -3.8622 -3.8607 -3.5662 -3.5661 0.5078 0.5131 0.8438 0.8607 1.3684 1.3713 1.5185 1.5542 2.0283 2.0299 2.4320 2.5579 2.8131 2.8438 2.9500 3.1011 3.4270 3.4310 4.1387 4.1487 7.5632 7.5682 8.5591 8.5676 10.8818 10.8897 14.3688 14.4568 k = 0.3875-0.0817-0.0687 ( 2439 PWs) bands (ev): -23.6097 -23.6097 -17.5234 -17.5234 -17.4569 -17.4569 -5.4877 -5.4869 -4.9488 -4.9485 -3.8705 -3.8691 -3.5629 -3.5628 0.4881 0.4930 0.8394 0.8548 1.3689 1.3717 1.5309 1.5649 2.0140 2.0159 2.4364 2.5576 2.8152 2.8515 2.9350 3.0859 3.4309 3.4346 4.1489 4.1581 7.6027 7.6076 8.5943 8.6027 10.7965 10.8035 14.4201 14.5075 k = 0.4000-0.0843-0.0710 ( 2441 PWs) bands (ev): -23.6091 -23.6091 -17.5252 -17.5252 -17.4569 -17.4568 -5.4697 -5.4689 -4.9558 -4.9556 -3.8783 -3.8770 -3.5599 -3.5598 0.4703 0.4747 0.8355 0.8494 1.3693 1.3720 1.5426 1.5744 2.0010 2.0029 2.4420 2.5563 2.8174 2.8595 2.9211 3.0706 3.4347 3.4380 4.1581 4.1665 7.6383 7.6431 8.6303 8.6384 10.7158 10.7218 14.4702 14.5561 k = 0.4125-0.0870-0.0732 ( 2437 PWs) bands (ev): -23.6086 -23.6086 -17.5268 -17.5267 -17.4568 -17.4568 -5.4529 -5.4522 -4.9625 -4.9622 -3.8854 -3.8843 -3.5571 -3.5571 0.4545 0.4583 0.8322 0.8445 1.3698 1.3723 1.5535 1.5826 1.9893 1.9911 2.4485 2.5541 2.8198 2.8675 2.9089 3.0552 3.4381 3.4410 4.1664 4.1739 7.6699 7.6745 8.6662 8.6739 10.6405 10.6457 14.5183 14.6014 k = 0.4250-0.0896-0.0754 ( 2435 PWs) bands (ev): -23.6081 -23.6081 -17.5282 -17.5281 -17.4567 -17.4567 -5.4378 -5.4371 -4.9686 -4.9684 -3.8918 -3.8908 -3.5548 -3.5547 0.4406 0.4439 0.8295 0.8402 1.3702 1.3725 1.5634 1.5895 1.9791 1.9806 2.4558 2.5508 2.8222 2.8739 2.9000 3.0398 3.4412 3.4437 4.1736 4.1801 7.6974 7.7016 8.7013 8.7082 10.5716 10.5759 14.5638 14.6423 k = 0.4375-0.0922-0.0776 ( 2433 PWs) bands (ev): -23.6077 -23.6077 -17.5293 -17.5293 -17.4567 -17.4567 -5.4244 -5.4238 -4.9742 -4.9740 -3.8973 -3.8964 -3.5527 -3.5527 0.4288 0.4315 0.8274 0.8364 1.3706 1.3726 1.5724 1.5950 1.9703 1.9715 2.4640 2.5464 2.8248 2.8742 2.8990 3.0246 3.4439 3.4460 4.1799 4.1854 7.7207 7.7245 8.7343 8.7405 10.5102 10.5137 14.6059 14.6776 k = 0.4500-0.0949-0.0798 ( 2436 PWs) bands (ev): -23.6073 -23.6073 -17.5303 -17.5303 -17.4567 -17.4567 -5.4130 -5.4126 -4.9789 -4.9788 -3.9019 -3.9012 -3.5510 -3.5510 0.4191 0.4213 0.8258 0.8331 1.3709 1.3726 1.5804 1.5991 1.9630 1.9640 2.4726 2.5409 2.8275 2.8682 2.9060 3.0095 3.4461 3.4478 4.1851 4.1896 7.7399 7.7430 8.7641 8.7693 10.4575 10.4601 14.6439 14.7061 k = 0.4625-0.0975-0.0821 ( 2432 PWs) bands (ev): -23.6071 -23.6071 -17.5311 -17.5311 -17.4566 -17.4566 -5.4039 -5.4036 -4.9829 -4.9828 -3.9056 -3.9050 -3.5497 -3.5497 0.4116 0.4132 0.8248 0.8303 1.3713 1.3726 1.5873 1.6016 1.9573 1.9580 2.4818 2.5344 2.8306 2.8609 2.9162 2.9948 3.4480 3.4492 4.1894 4.1927 7.7548 7.7572 8.7894 8.7934 10.4147 10.4166 14.6768 14.7268 k = 0.4750-0.1002-0.0843 ( 2432 PWs) bands (ev): -23.6069 -23.6069 -17.5317 -17.5317 -17.4566 -17.4566 -5.3972 -5.3970 -4.9857 -4.9857 -3.9082 -3.9078 -3.5487 -3.5487 0.4063 0.4074 0.8244 0.8280 1.3716 1.3725 1.5930 1.6027 1.9532 1.9536 2.4912 2.5269 2.8341 2.8540 2.9276 2.9803 3.4493 3.4502 4.1926 4.1948 7.7656 7.7673 8.8089 8.8116 10.3831 10.3844 14.7040 14.7391 k = 0.4875-0.1028-0.0865 ( 2433 PWs) bands (ev): -23.6068 -23.6068 -17.5320 -17.5320 -17.4566 -17.4566 -5.3931 -5.3930 -4.9875 -4.9875 -3.9097 -3.9095 -3.5481 -3.5481 0.4032 0.4037 0.8245 0.8263 1.3719 1.3724 1.5975 1.6024 1.9507 1.9510 2.5006 2.5186 2.8381 2.8479 2.9399 2.9663 3.4502 3.4507 4.1947 4.1958 7.7723 7.7731 8.8213 8.8227 10.3638 10.3644 14.7245 14.7426 k = 0.5000-0.1054-0.0887 ( 2430 PWs) bands (ev): -23.6067 -23.6067 -17.5321 -17.5321 -17.4566 -17.4566 -5.3917 -5.3917 -4.9881 -4.9881 -3.9102 -3.9102 -3.5479 -3.5479 0.4023 0.4023 0.8251 0.8251 1.3722 1.3722 1.6006 1.6006 1.9500 1.9500 2.5098 2.5098 2.8426 2.8426 2.9529 2.9529 3.4507 3.4507 4.1958 4.1958 7.7747 7.7747 8.8261 8.8261 10.3575 10.3575 14.7376 14.7376 k = 0.5000-0.1054-0.0887 ( 2430 PWs) bands (ev): -23.6067 -23.6067 -17.5321 -17.5321 -17.4566 -17.4566 -5.3917 -5.3917 -4.9881 -4.9881 -3.9102 -3.9102 -3.5479 -3.5479 0.4023 0.4023 0.8251 0.8251 1.3722 1.3722 1.6006 1.6006 1.9500 1.9500 2.5098 2.5098 2.8426 2.8426 2.9529 2.9529 3.4507 3.4507 4.1958 4.1958 7.7747 7.7747 8.8261 8.8261 10.3575 10.3575 14.7376 14.7376 k = 0.5000-0.0970-0.0987 ( 2432 PWs) bands (ev): -23.6067 -23.6067 -17.5321 -17.5321 -17.4567 -17.4566 -5.3913 -5.3912 -4.9884 -4.9883 -3.9112 -3.9107 -3.5479 -3.5472 0.4022 0.4023 0.8237 0.8271 1.3695 1.3737 1.5992 1.6022 1.9437 1.9572 2.5053 2.5147 2.8327 2.8537 2.9524 2.9539 3.4433 3.4564 4.1928 4.1972 7.7756 7.7758 8.8256 8.8262 10.3587 10.3601 14.7180 14.7479 k = 0.5000-0.0886-0.1087 ( 2430 PWs) bands (ev): -23.6066 -23.6066 -17.5321 -17.5320 -17.4570 -17.4568 -5.3898 -5.3897 -4.9891 -4.9891 -3.9136 -3.9126 -3.5470 -3.5456 0.4018 0.4020 0.8230 0.8297 1.3657 1.3740 1.5982 1.6040 1.9383 1.9652 2.5010 2.5197 2.8239 2.8659 2.9526 2.9555 3.4343 3.4604 4.1881 4.1970 7.7783 7.7789 8.8248 8.8260 10.3638 10.3667 14.6891 14.7487 k = 0.5000-0.0802-0.1187 ( 2420 PWs) bands (ev): -23.6065 -23.6065 -17.5320 -17.5318 -17.4574 -17.4572 -5.3874 -5.3872 -4.9904 -4.9902 -3.9173 -3.9160 -3.5454 -3.5433 0.4012 0.4015 0.8229 0.8330 1.3610 1.3734 1.5974 1.6061 1.9339 1.9739 2.4972 2.5250 2.8161 2.8793 2.9535 2.9577 3.4237 3.4628 4.1819 4.1952 7.7830 7.7838 8.8235 8.8253 10.3729 10.3771 14.6514 14.7401 k = 0.5000-0.0718-0.1287 ( 2416 PWs) bands (ev): -23.6063 -23.6063 -17.5319 -17.5317 -17.4580 -17.4577 -5.3841 -5.3838 -4.9921 -4.9919 -3.9224 -3.9206 -3.5430 -3.5404 0.4004 0.4008 0.8234 0.8368 1.3553 1.3717 1.5970 1.6085 1.9305 1.9832 2.4937 2.5304 2.8092 2.8935 2.9551 2.9605 3.4114 3.4636 4.1742 4.1920 7.7895 7.7907 8.8218 8.8241 10.3858 10.3913 14.6057 14.7214 k = 0.5000-0.0634-0.1387 ( 2418 PWs) bands (ev): -23.6061 -23.6060 -17.5317 -17.5315 -17.4587 -17.4583 -5.3798 -5.3795 -4.9943 -4.9941 -3.9286 -3.9265 -3.5401 -3.5369 0.3994 0.3999 0.8243 0.8411 1.3491 1.3691 1.5969 1.6111 1.9281 1.9931 2.4907 2.5358 2.8030 2.9082 2.9577 2.9640 3.3976 3.4626 4.1650 4.1874 7.7979 7.7992 8.8195 8.8223 10.4026 10.4094 14.5533 14.6923 k = 0.5000-0.0550-0.1487 ( 2420 PWs) bands (ev): -23.6058 -23.6058 -17.5316 -17.5312 -17.4595 -17.4591 -5.3748 -5.3743 -4.9970 -4.9967 -3.9358 -3.9333 -3.5368 -3.5330 0.3981 0.3988 0.8256 0.8457 1.3423 1.3660 1.5973 1.6140 1.9267 2.0034 2.4880 2.5412 2.7973 2.9226 2.9617 2.9683 3.3823 3.4601 4.1546 4.1817 7.8079 7.8096 8.8165 8.8198 10.4233 10.4314 14.4958 14.6528 k = 0.5000-0.0465-0.1587 ( 2426 PWs) bands (ev): -23.6055 -23.6054 -17.5313 -17.5310 -17.4605 -17.4600 -5.3689 -5.3684 -5.0001 -4.9999 -3.9438 -3.9411 -3.5330 -3.5288 0.3967 0.3976 0.8272 0.8505 1.3355 1.3625 1.5981 1.6172 1.9263 2.0141 2.4858 2.5465 2.7920 2.9353 2.9682 2.9737 3.3657 3.4561 4.1430 4.1749 7.8195 7.8214 8.8126 8.8163 10.4478 10.4571 14.4346 14.6040 k = 0.5000-0.0381-0.1687 ( 2426 PWs) bands (ev): -23.6051 -23.6050 -17.5311 -17.5306 -17.4617 -17.4611 -5.3623 -5.3618 -5.0037 -5.0034 -3.9525 -3.9496 -3.5291 -3.5244 0.3950 0.3962 0.8290 0.8555 1.3287 1.3588 1.5995 1.6207 1.9270 2.0252 2.4840 2.5516 2.7871 2.9447 2.9765 2.9825 3.3479 3.4508 4.1304 4.1672 7.8326 7.8348 8.8077 8.8118 10.4761 10.4865 14.3711 14.5477 k = 0.5000-0.0297-0.1787 ( 2426 PWs) bands (ev): -23.6047 -23.6046 -17.5308 -17.5303 -17.4629 -17.4622 -5.3551 -5.3545 -5.0077 -5.0075 -3.9618 -3.9586 -3.5251 -3.5200 0.3932 0.3947 0.8309 0.8605 1.3225 1.3554 1.6015 1.6246 1.9286 2.0366 2.4827 2.5565 2.7823 2.9508 2.9838 2.9969 3.3289 3.4441 4.1171 4.1588 7.8471 7.8495 8.8018 8.8062 10.5082 10.5196 14.3063 14.4863 k = 0.5000-0.0213-0.1887 ( 2426 PWs) bands (ev): -23.6042 -23.6041 -17.5305 -17.5299 -17.4642 -17.4635 -5.3474 -5.3467 -5.0122 -5.0119 -3.9713 -3.9680 -3.5210 -3.5157 0.3911 0.3931 0.8328 0.8652 1.3170 1.3524 1.6041 1.6290 1.9312 2.0482 2.4818 2.5611 2.7777 2.9550 2.9910 3.0142 3.3090 3.4362 4.1032 4.1500 7.8626 7.8653 8.7948 8.7995 10.5439 10.5562 14.2411 14.4217 k = 0.5000-0.0129-0.1987 ( 2424 PWs) bands (ev): -23.6037 -23.6036 -17.5301 -17.5295 -17.4657 -17.4649 -5.3392 -5.3385 -5.0171 -5.0168 -3.9811 -3.9777 -3.5172 -3.5116 0.3890 0.3915 0.8344 0.8696 1.3127 1.3502 1.6074 1.6337 1.9347 2.0601 2.4812 2.5653 2.7730 2.9583 2.9988 3.0327 3.2883 3.4273 4.0889 4.1409 7.8790 7.8820 8.7867 8.7915 10.5830 10.5963 14.1763 14.3558 k = 0.5000-0.0045-0.2087 ( 2428 PWs) bands (ev): -23.6032 -23.6031 -17.5297 -17.5291 -17.4673 -17.4664 -5.3308 -5.3300 -5.0224 -5.0221 -3.9909 -3.9874 -3.5135 -3.5077 0.3867 0.3898 0.8358 0.8733 1.3098 1.3491 1.6114 1.6389 1.9390 2.0721 2.4810 2.5689 2.7683 2.9610 3.0069 3.0515 3.2670 3.4176 4.0743 4.1315 7.8960 7.8992 8.7775 8.7824 10.6255 10.6395 14.1124 14.2895 k = 0.5000 0.0039-0.2187 ( 2422 PWs) bands (ev): -23.6026 -23.6025 -17.5293 -17.5286 -17.4689 -17.4679 -5.3222 -5.3214 -5.0281 -5.0278 -4.0005 -3.9970 -3.5101 -3.5041 0.3843 0.3881 0.8367 0.8763 1.3087 1.3492 1.6162 1.6445 1.9443 2.0843 2.4811 2.5721 2.7636 2.9635 3.0154 3.0704 3.2454 3.4073 4.0597 4.1222 7.9132 7.9167 8.7673 8.7723 10.6712 10.6857 14.0498 14.2237 k = 0.5000 0.0123-0.2287 ( 2422 PWs) bands (ev): -23.6020 -23.6019 -17.5289 -17.5281 -17.4706 -17.4696 -5.3135 -5.3127 -5.0342 -5.0338 -4.0099 -4.0063 -3.5071 -3.5010 0.3819 0.3864 0.8371 0.8784 1.3097 1.3509 1.6217 1.6506 1.9503 2.0967 2.4814 2.5746 2.7588 2.9656 3.0240 3.0886 3.2236 3.3966 4.0453 4.1131 7.9302 7.9340 8.7564 8.7614 10.7197 10.7347 13.9890 14.1591 k = 0.5000 0.0208-0.2387 ( 2424 PWs) bands (ev): -23.6013 -23.6012 -17.5284 -17.5276 -17.4723 -17.4713 -5.3050 -5.3041 -5.0406 -5.0402 -4.0189 -4.0153 -3.5046 -3.4983 0.3795 0.3848 0.8370 0.8795 1.3129 1.3543 1.6281 1.6572 1.9570 2.1091 2.4818 2.5766 2.7540 2.9675 3.0326 3.1058 3.2021 3.3858 4.0311 4.1041 7.9464 7.9505 8.7452 8.7501 10.7709 10.7863 13.9301 14.0960 k = 0.5000 0.0292-0.2487 ( 2426 PWs) bands (ev): -23.6006 -23.6005 -17.5280 -17.5271 -17.4742 -17.4730 -5.2968 -5.2959 -5.0472 -5.0468 -4.0273 -4.0237 -3.5026 -3.4962 0.3772 0.3834 0.8362 0.8796 1.3184 1.3594 1.6353 1.6642 1.9645 2.1217 2.4823 2.5780 2.7491 2.9692 3.0410 3.1217 3.1811 3.3754 4.0174 4.0956 7.9613 7.9657 8.7340 8.7388 10.8244 10.8400 13.8735 14.0347 k = 0.5000 0.0376-0.2587 ( 2430 PWs) bands (ev): -23.5999 -23.5999 -17.5275 -17.5265 -17.4760 -17.4748 -5.2891 -5.2881 -5.0541 -5.0537 -4.0351 -4.0315 -3.5011 -3.4946 0.3751 0.3821 0.8348 0.8788 1.3263 1.3664 1.6433 1.6716 1.9727 2.1344 2.4826 2.5789 2.7442 2.9705 3.0489 3.1350 3.1620 3.3658 4.0043 4.0874 7.9741 7.9788 8.7234 8.7282 10.8801 10.8957 13.8193 13.9754 k = 0.5000 0.0460-0.2687 ( 2426 PWs) bands (ev): -23.5992 -23.5991 -17.5270 -17.5260 -17.4779 -17.4766 -5.2820 -5.2809 -5.0612 -5.0608 -4.0420 -4.0384 -3.5001 -3.4937 0.3732 0.3810 0.8327 0.8771 1.3365 1.3753 1.6521 1.6794 1.9816 2.1473 2.4827 2.5796 2.7393 2.9715 3.0561 3.1355 3.1548 3.3575 3.9918 4.0797 7.9840 7.9891 8.7142 8.7188 10.9374 10.9529 13.7676 13.9181 k = 0.5000 0.0544-0.2787 ( 2432 PWs) bands (ev): -23.5985 -23.5984 -17.5265 -17.5254 -17.4798 -17.4784 -5.2757 -5.2746 -5.0685 -5.0681 -4.0480 -4.0444 -3.4998 -3.4934 0.3716 0.3803 0.8302 0.8747 1.3490 1.3860 1.6617 1.6877 1.9911 2.1602 2.4822 2.5801 2.7343 2.9721 3.0621 3.1200 3.1631 3.3508 3.9802 4.0725 7.9902 7.9956 8.7071 8.7116 10.9962 11.0114 13.7185 13.8629 k = 0.5000 0.0628-0.2887 ( 2430 PWs) bands (ev): -23.5977 -23.5976 -17.5260 -17.5248 -17.4817 -17.4803 -5.2705 -5.2694 -5.0758 -5.0754 -4.0530 -4.0494 -3.5001 -3.4937 0.3705 0.3800 0.8271 0.8717 1.3635 1.3985 1.6720 1.6962 2.0013 2.1733 2.4810 2.5809 2.7292 2.9722 3.0660 3.1049 3.1714 3.3463 3.9694 4.0658 7.9916 7.9975 8.7029 8.7072 11.0560 11.0706 13.6721 13.8097 k = 0.5000 0.0712-0.2987 ( 2432 PWs) bands (ev): -23.5970 -23.5969 -17.5255 -17.5242 -17.4836 -17.4821 -5.2665 -5.2653 -5.0830 -5.0827 -4.0568 -4.0533 -3.5010 -3.4946 0.3698 0.3801 0.8237 0.8683 1.3799 1.4125 1.6830 1.7051 2.0122 2.1866 2.4790 2.5821 2.7240 2.9719 3.0657 3.0939 3.1779 3.3440 3.9595 4.0597 7.9877 7.9940 8.7023 8.7065 11.1164 11.1303 13.6285 13.7584 k = 0.5000 0.0796-0.3087 ( 2434 PWs) bands (ev): -23.5962 -23.5961 -17.5250 -17.5236 -17.4855 -17.4839 -5.2639 -5.2626 -5.0902 -5.0899 -4.0594 -4.0560 -3.5025 -3.4962 0.3696 0.3807 0.8200 0.8646 1.3979 1.4280 1.6946 1.7142 2.0237 2.2002 2.4759 2.5840 2.7188 2.9710 3.0588 3.0895 3.1830 3.3439 3.9507 4.0540 7.9777 7.9844 8.7059 8.7099 11.1771 11.1899 13.5875 13.7087 k = 0.5000 0.0881-0.3187 ( 2432 PWs) bands (ev): -23.5954 -23.5953 -17.5244 -17.5230 -17.4873 -17.4857 -5.2628 -5.2615 -5.0973 -5.0969 -4.0608 -4.0574 -3.5047 -3.4985 0.3702 0.3820 0.8162 0.8608 1.4173 1.4448 1.7067 1.7235 2.0360 2.2140 2.4717 2.5868 2.7135 2.9697 3.0482 3.0890 3.1870 3.3456 3.9429 4.0488 7.9613 7.9684 8.7139 8.7178 11.2375 11.2491 13.5493 13.6605 k = 0.5000 0.0965-0.3287 ( 2434 PWs) bands (ev): -23.5946 -23.5945 -17.5239 -17.5224 -17.4892 -17.4875 -5.2634 -5.2621 -5.1041 -5.1038 -4.0608 -4.0574 -3.5075 -3.5014 0.3714 0.3840 0.8122 0.8569 1.4379 1.4627 1.7191 1.7329 2.0488 2.2280 2.4665 2.5907 2.7082 2.9678 3.0371 3.0891 3.1905 3.3486 3.9360 4.0439 7.9384 7.9459 8.7263 8.7301 11.2973 11.3073 13.5138 13.6134 k = 0.5000 0.1049-0.3387 ( 2430 PWs) bands (ev): -23.5938 -23.5937 -17.5234 -17.5218 -17.4909 -17.4892 -5.2658 -5.2644 -5.1107 -5.1104 -4.0594 -4.0561 -3.5109 -3.5049 0.3735 0.3867 0.8083 0.8531 1.4595 1.4815 1.7317 1.7426 2.0624 2.2424 2.4605 2.5956 2.7032 2.9655 3.0266 3.0892 3.1941 3.3523 3.9302 4.0394 7.9095 7.9173 8.7428 8.7466 11.3561 11.3640 13.4810 13.5672 k = 0.5000 0.1133-0.3487 ( 2424 PWs) bands (ev): -23.5930 -23.5930 -17.5229 -17.5212 -17.4926 -17.4908 -5.2699 -5.2686 -5.1171 -5.1167 -4.0567 -4.0534 -3.5149 -3.5091 0.3765 0.3904 0.8045 0.8494 1.4818 1.5011 1.7440 1.7525 2.0768 2.2572 2.4538 2.6016 2.6985 2.9627 3.0170 3.0890 3.1979 3.3565 3.9254 4.0352 7.8749 7.8830 8.7630 8.7669 11.4131 11.4187 13.4509 13.5217 k = 0.5000 0.1217-0.3587 ( 2422 PWs) bands (ev): -23.5923 -23.5922 -17.5223 -17.5207 -17.4943 -17.4924 -5.2758 -5.2744 -5.1233 -5.1228 -4.0525 -4.0493 -3.5194 -3.5138 0.3804 0.3949 0.8009 0.8459 1.5046 1.5211 1.7554 1.7632 2.0919 2.2723 2.4469 2.6085 2.6942 2.9595 3.0084 3.0889 3.2020 3.3607 3.9214 4.0312 7.8350 7.8434 8.7862 8.7902 11.4678 11.4711 13.4235 13.4769 k = 0.5000 0.1301-0.3687 ( 2424 PWs) bands (ev): -23.5915 -23.5914 -17.5218 -17.5201 -17.4959 -17.4939 -5.2833 -5.2820 -5.1294 -5.1288 -4.0471 -4.0439 -3.5245 -3.5190 0.3854 0.4004 0.7974 0.8425 1.5275 1.5414 1.7655 1.7748 2.1078 2.2879 2.4400 2.6162 2.6905 2.9558 3.0010 3.0889 3.2064 3.3646 3.9183 4.0274 7.7906 7.7993 8.8118 8.8160 11.5186 11.5215 13.3986 13.4330 k = 0.5000 0.1385-0.3787 ( 2428 PWs) bands (ev): -23.5907 -23.5906 -17.5214 -17.5195 -17.4974 -17.4954 -5.2924 -5.2911 -5.1354 -5.1348 -4.0404 -4.0372 -3.5301 -3.5248 0.3913 0.4070 0.7942 0.8394 1.5505 1.5619 1.7745 1.7867 2.1245 2.3038 2.4334 2.6247 2.6878 2.9515 2.9953 3.0892 3.2110 3.3682 3.9159 4.0236 7.7422 7.7511 8.8392 8.8437 11.5641 11.5702 13.3764 13.3905 k = 0.5000 0.1469-0.3887 ( 2426 PWs) bands (ev): -23.5899 -23.5899 -17.5209 -17.5189 -17.4989 -17.4967 -5.3028 -5.3015 -5.1414 -5.1408 -4.0324 -4.0293 -3.5362 -3.5311 0.3984 0.4146 0.7913 0.8364 1.5731 1.5824 1.7827 1.7986 2.1421 2.3201 2.4276 2.6336 2.6862 2.9466 2.9915 3.0901 3.2159 3.3714 3.9142 4.0199 7.6904 7.6994 8.8678 8.8726 11.6050 11.6155 13.3493 13.3574 k = 0.5000 0.1554-0.3987 ( 2428 PWs) bands (ev): -23.5892 -23.5891 -17.5204 -17.5184 -17.5002 -17.4980 -5.3145 -5.3132 -5.1476 -5.1468 -4.0233 -4.0202 -3.5427 -3.5378 0.4065 0.4234 0.7888 0.8337 1.5949 1.6030 1.7903 1.8099 2.1606 2.3366 2.4229 2.6425 2.6863 2.9414 2.9894 3.0913 3.2209 3.3742 3.9130 4.0161 7.6357 7.6449 8.8971 8.9023 11.6410 11.6567 13.3114 13.3405 k = 0.5000 0.1638-0.4087 ( 2428 PWs) bands (ev): -23.5885 -23.5884 -17.5199 -17.5179 -17.5015 -17.4992 -5.3272 -5.3260 -5.1539 -5.1531 -4.0132 -4.0101 -3.5496 -3.5449 0.4157 0.4332 0.7865 0.8312 1.6157 1.6236 1.7972 1.8204 2.1800 2.3532 2.4197 2.6509 2.6886 2.9363 2.9892 3.0930 3.2261 3.3764 3.9122 4.0123 7.5786 7.5878 8.9265 8.9321 11.6717 11.6933 13.2768 13.3265 k = 0.5000 0.1722-0.4187 ( 2422 PWs) bands (ev): -23.5878 -23.5877 -17.5195 -17.5173 -17.5027 -17.5004 -5.3408 -5.3396 -5.1604 -5.1596 -4.0021 -3.9990 -3.5568 -3.5523 0.4260 0.4442 0.7845 0.8289 1.6350 1.6441 1.8035 1.8300 2.2004 2.3695 2.4187 2.6580 2.6939 2.9319 2.9905 3.0952 3.2313 3.3783 3.9118 4.0083 7.5195 7.5288 8.9557 8.9617 11.6969 11.7248 13.2462 13.3155 k = 0.5000 0.1806-0.4287 ( 2418 PWs) bands (ev): -23.5871 -23.5870 -17.5190 -17.5168 -17.5038 -17.5014 -5.3552 -5.3541 -5.1672 -5.1663 -3.9902 -3.9871 -3.5644 -3.5601 0.4373 0.4563 0.7828 0.8267 1.6530 1.6643 1.8091 1.8386 2.2216 2.3844 2.4208 2.6631 2.7026 2.9285 2.9933 3.0978 3.2366 3.3799 3.9115 4.0041 7.4588 7.4681 8.9842 8.9906 11.7164 11.7511 13.2201 13.3073 k = 0.5000 0.1890-0.4386 ( 2424 PWs) bands (ev): -23.5864 -23.5864 -17.5186 -17.5163 -17.5048 -17.5024 -5.3703 -5.3692 -5.1742 -5.1732 -3.9775 -3.9745 -3.5722 -3.5681 0.4496 0.4694 0.7813 0.8247 1.6698 1.6837 1.8140 1.8461 2.2437 2.3965 2.4276 2.6668 2.7140 2.9267 2.9973 3.1008 3.2420 3.3810 3.9113 3.9996 7.3969 7.4061 9.0115 9.0183 11.7305 11.7722 13.1985 13.3020 k = 0.5000 0.1974-0.4486 ( 2422 PWs) bands (ev): -23.5858 -23.5857 -17.5182 -17.5158 -17.5057 -17.5032 -5.3858 -5.3848 -5.1813 -5.1803 -3.9643 -3.9614 -3.5801 -3.5763 0.4628 0.4835 0.7802 0.8229 1.6852 1.7023 1.8181 1.8524 2.2665 2.4052 2.4394 2.6697 2.7274 2.9268 3.0025 3.1042 3.2474 3.3820 3.9112 3.9949 7.3341 7.3432 9.0375 9.0446 11.7394 11.7880 13.1816 13.2993 k = 0.5000 0.2058-0.4586 ( 2418 PWs) bands (ev): -23.5851 -23.5851 -17.5178 -17.5154 -17.5065 -17.5040 -5.4018 -5.4008 -5.1886 -5.1876 -3.9506 -3.9477 -3.5883 -3.5847 0.4770 0.4986 0.7792 0.8211 1.6995 1.7198 1.8215 1.8578 2.2899 2.4126 2.4541 2.6722 2.7424 2.9292 3.0090 3.1082 3.2530 3.3827 3.9109 3.9899 7.2708 7.2798 9.0617 9.0691 11.7436 11.7990 13.1689 13.2991 k = 0.5000 0.2142-0.4686 ( 2416 PWs) bands (ev): -23.5845 -23.5845 -17.5174 -17.5149 -17.5073 -17.5047 -5.4180 -5.4171 -5.1961 -5.1950 -3.9366 -3.9337 -3.5965 -3.5931 0.4919 0.5144 0.7785 0.8195 1.7124 1.7362 1.8240 1.8621 2.3138 2.4201 2.4697 2.6743 2.7584 2.9339 3.0166 3.1129 3.2586 3.3833 3.9105 3.9846 7.2072 7.2160 9.0838 9.0915 11.7439 11.8055 13.1601 13.3008 k = 0.5000 0.2227-0.4786 ( 2418 PWs) bands (ev): -23.5840 -23.5839 -17.5170 -17.5145 -17.5079 -17.5054 -5.4344 -5.4335 -5.2036 -5.2025 -3.9222 -3.9194 -3.6048 -3.6016 0.5075 0.5310 0.7779 0.8179 1.7242 1.7514 1.8258 1.8656 2.3378 2.4287 2.4853 2.6762 2.7755 2.9411 3.0252 3.1182 3.2644 3.3838 3.9099 3.9789 7.1437 7.1523 9.1037 9.1116 11.7410 11.8083 13.1546 13.3037 k = 0.5000 0.2311-0.4886 ( 2420 PWs) bands (ev): -23.5834 -23.5834 -17.5166 -17.5141 -17.5085 -17.5059 -5.4509 -5.4501 -5.2112 -5.2100 -3.9078 -3.9051 -3.6131 -3.6101 0.5237 0.5481 0.7775 0.8164 1.7348 1.7656 1.8269 1.8684 2.3616 2.4383 2.5002 2.6777 2.7933 2.9507 3.0349 3.1246 3.2704 3.3842 3.9090 3.9728 7.0806 7.0889 9.1212 9.1292 11.7358 11.8079 13.1517 13.3066 k = 0.5000 0.2395-0.4986 ( 2420 PWs) bands (ev): -23.5829 -23.5829 -17.5162 -17.5137 -17.5090 -17.5064 -5.4674 -5.4666 -5.2187 -5.2176 -3.8933 -3.8907 -3.6214 -3.6186 0.5404 0.5657 0.7773 0.8150 1.7442 1.7785 1.8273 1.8707 2.3850 2.4492 2.5144 2.6792 2.8120 2.9624 3.0455 3.1321 3.2765 3.3846 3.9078 3.9664 7.0180 7.0260 9.1360 9.1440 11.7291 11.8052 13.1508 13.3072 k = 0.5000 0.2479-0.5086 ( 2418 PWs) bands (ev): -23.5824 -23.5824 -17.5158 -17.5134 -17.5094 -17.5069 -5.4837 -5.4829 -5.2262 -5.2251 -3.8790 -3.8764 -3.6296 -3.6269 0.5574 0.5836 0.7772 0.8135 1.7527 1.7905 1.8271 1.8724 2.4073 2.4612 2.5277 2.6804 2.8313 2.9757 3.0571 3.1410 3.2827 3.3850 3.9063 3.9597 6.9564 6.9640 9.1482 9.1561 11.7218 11.8008 13.1513 13.3025 k = 0.5000 0.2563-0.5186 ( 2412 PWs) bands (ev): -23.5819 -23.5819 -17.5155 -17.5131 -17.5097 -17.5072 -5.4998 -5.4991 -5.2335 -5.2324 -3.8647 -3.8623 -3.6376 -3.6351 0.5747 0.6016 0.7772 0.8122 1.7603 1.8013 1.8265 1.8737 2.4282 2.4743 2.5402 2.6816 2.8512 2.9901 3.0698 3.1516 3.2892 3.3854 3.9044 3.9527 6.8959 6.9032 9.1576 9.1654 11.7144 11.7954 13.1527 13.2929 k = 0.6461 0.3748 0.1638 ( 2412 PWs) bands (ev): -23.5819 -23.5819 -17.5155 -17.5131 -17.5097 -17.5072 -5.4998 -5.4991 -5.2335 -5.2324 -3.8647 -3.8623 -3.6376 -3.6351 0.5747 0.6016 0.7772 0.8122 1.7603 1.8013 1.8265 1.8737 2.4282 2.4743 2.5402 2.6816 2.8512 2.9901 3.0698 3.1516 3.2892 3.3854 3.9044 3.9527 6.8959 6.9032 9.1576 9.1654 11.7144 11.7954 13.1527 13.2929 k = 0.6379 0.3765 0.1737 ( 2410 PWs) bands (ev): -23.5815 -23.5814 -17.5151 -17.5128 -17.5100 -17.5076 -5.5154 -5.5147 -5.2406 -5.2395 -3.8510 -3.8486 -3.6453 -3.6431 0.5919 0.6194 0.7773 0.8108 1.7669 1.8110 1.8257 1.8748 2.4468 2.4878 2.5521 2.6827 2.8711 3.0045 3.0836 3.1637 3.2957 3.3858 3.9022 3.9455 6.8376 6.8445 9.1643 9.1718 11.7077 11.7896 13.1545 13.2817 k = 0.6298 0.3782 0.1835 ( 2410 PWs) bands (ev): -23.5811 -23.5810 -17.5147 -17.5125 -17.5102 -17.5079 -5.5306 -5.5300 -5.2475 -5.2465 -3.8376 -3.8353 -3.6528 -3.6507 0.6090 0.6370 0.7775 0.8094 1.7729 1.8195 1.8250 1.8755 2.4633 2.5013 2.5640 2.6839 2.8911 3.0182 3.0989 3.1773 3.3025 3.3863 3.8997 3.9381 6.7810 6.7875 9.1684 9.1755 11.7019 11.7838 13.1565 13.2701 k = 0.6217 0.3799 0.1934 ( 2412 PWs) bands (ev): -23.5807 -23.5807 -17.5144 -17.5123 -17.5103 -17.5081 -5.5454 -5.5447 -5.2542 -5.2532 -3.8246 -3.8224 -3.6601 -3.6582 0.6260 0.6542 0.7777 0.8080 1.7783 1.8227 1.8287 1.8760 2.4779 2.5139 2.5766 2.6851 2.9111 3.0308 3.1161 3.1924 3.3094 3.3868 3.8968 3.9305 6.7262 6.7323 9.1701 9.1768 11.6973 11.7784 13.1583 13.2589 k = 0.6136 0.3816 0.2032 ( 2410 PWs) bands (ev): -23.5804 -23.5803 -17.5141 -17.5121 -17.5103 -17.5083 -5.5595 -5.5589 -5.2606 -5.2596 -3.8121 -3.8100 -3.6670 -3.6653 0.6426 0.6710 0.7780 0.8066 1.7832 1.8220 1.8356 1.8763 2.4910 2.5246 2.5900 2.6864 2.9308 3.0418 3.1351 3.2086 3.3167 3.3875 3.8936 3.9227 6.6736 6.6792 9.1696 9.1758 11.6942 11.7736 13.1599 13.2480 k = 0.6055 0.3833 0.2131 ( 2410 PWs) bands (ev): -23.5800 -23.5800 -17.5137 -17.5120 -17.5102 -17.5085 -5.5731 -5.5725 -5.2667 -5.2658 -3.8001 -3.7982 -3.6737 -3.6721 0.6589 0.6871 0.7784 0.8052 1.7876 1.8211 1.8421 1.8764 2.5027 2.5333 2.6042 2.6878 2.9500 3.0514 3.1556 3.2254 3.3242 3.3883 3.8902 3.9150 6.6232 6.6284 9.1672 9.1729 11.6925 11.7695 13.1609 13.2375 k = 0.5974 0.3850 0.2230 ( 2408 PWs) bands (ev): -23.5797 -23.5797 -17.5134 -17.5119 -17.5101 -17.5087 -5.5860 -5.5854 -5.2725 -5.2716 -3.7888 -3.7870 -3.6799 -3.6785 0.6747 0.7023 0.7788 0.8038 1.7917 1.8204 1.8480 1.8764 2.5133 2.5400 2.6188 2.6892 2.9685 3.0598 3.1770 3.2425 3.3320 3.3892 3.8865 3.9073 6.5755 6.5802 9.1631 9.1682 11.6924 11.7662 13.1615 13.2276 k = 0.5893 0.3867 0.2328 ( 2404 PWs) bands (ev): -23.5794 -23.5794 -17.5131 -17.5119 -17.5100 -17.5088 -5.5980 -5.5975 -5.2779 -5.2771 -3.7782 -3.7765 -3.6858 -3.6845 0.6898 0.7167 0.7793 0.8024 1.7954 1.8200 1.8532 1.8763 2.5229 2.5451 2.6331 2.6907 2.9862 3.0672 3.1987 3.2593 3.3403 3.3904 3.8827 3.8997 6.5305 6.5348 9.1576 9.1621 11.6936 11.7636 13.1614 13.2181 k = 0.5811 0.3885 0.2427 ( 2404 PWs) bands (ev): -23.5792 -23.5792 -17.5128 -17.5119 -17.5099 -17.5089 -5.6093 -5.6088 -5.2829 -5.2822 -3.7683 -3.7667 -3.6912 -3.6901 0.7041 0.7300 0.7798 0.8010 1.7988 1.8198 1.8578 1.8761 2.5315 2.5491 2.6466 2.6922 3.0028 3.0738 3.2202 3.2753 3.3489 3.3917 3.8788 3.8924 6.4886 6.4924 9.1510 9.1549 11.6962 11.7617 13.1608 13.2092 k = 0.5730 0.3902 0.2525 ( 2402 PWs) bands (ev): -23.5790 -23.5789 -17.5126 -17.5118 -17.5097 -17.5089 -5.6197 -5.6192 -5.2875 -5.2868 -3.7592 -3.7578 -3.6962 -3.6952 0.7176 0.7421 0.7804 0.7996 1.8019 1.8199 1.8618 1.8759 2.5392 2.5524 2.6590 2.6938 3.0184 3.0798 3.2410 3.2900 3.3579 3.3933 3.8749 3.8854 6.4499 6.4532 9.1438 9.1471 11.6998 11.7604 13.1596 13.2008 k = 0.5649 0.3919 0.2624 ( 2402 PWs) bands (ev): -23.5788 -23.5787 -17.5123 -17.5118 -17.5095 -17.5090 -5.6291 -5.6287 -5.2917 -5.2911 -3.7509 -3.7496 -3.7007 -3.6998 0.7302 0.7529 0.7810 0.7982 1.8048 1.8201 1.8653 1.8756 2.5458 2.5550 2.6700 2.6954 3.0327 3.0853 3.2605 3.3031 3.3673 3.3953 3.8710 3.8788 6.4146 6.4175 9.1361 9.1390 11.7043 11.7594 13.1580 13.1929 k = 0.5568 0.3936 0.2722 ( 2398 PWs) bands (ev): -23.5786 -23.5786 -17.5121 -17.5118 -17.5094 -17.5090 -5.6375 -5.6372 -5.2954 -5.2949 -3.7435 -3.7424 -3.7048 -3.7040 0.7417 0.7624 0.7817 0.7968 1.8074 1.8205 1.8682 1.8755 2.5515 2.5574 2.6795 2.6971 3.0457 3.0902 3.2784 3.3144 3.3769 3.3976 3.8672 3.8728 6.3829 6.3855 9.1285 9.1308 11.7094 11.7587 13.1562 13.1856 k = 0.5487 0.3953 0.2821 ( 2400 PWs) bands (ev): -23.5784 -23.5784 -17.5120 -17.5117 -17.5093 -17.5090 -5.6449 -5.6446 -5.2987 -5.2982 -3.7370 -3.7361 -3.7083 -3.7076 0.7520 0.7705 0.7824 0.7954 1.8098 1.8209 1.8706 1.8754 2.5563 2.5594 2.6874 2.6988 3.0574 3.0944 3.2941 3.3237 3.3861 3.4004 3.8636 3.8674 6.3551 6.3573 9.1212 9.1231 11.7150 11.7579 13.1542 13.1789 k = 0.5406 0.3970 0.2919 ( 2398 PWs) bands (ev): -23.5783 -23.5783 -17.5118 -17.5117 -17.5092 -17.5090 -5.6512 -5.6510 -5.3014 -5.3010 -3.7315 -3.7307 -3.7112 -3.7107 0.7612 0.7771 0.7832 0.7941 1.8120 1.8213 1.8725 1.8754 2.5601 2.5613 2.6938 2.7005 3.0678 3.0978 3.3077 3.3311 3.3947 3.4036 3.8603 3.8627 6.3313 6.3331 9.1144 9.1159 11.7208 11.7570 13.1524 13.1728 k = 0.5325 0.3987 0.3018 ( 2396 PWs) bands (ev): -23.5782 -23.5782 -17.5117 -17.5117 -17.5091 -17.5090 -5.6564 -5.6562 -5.3037 -5.3034 -3.7269 -3.7264 -3.7136 -3.7131 0.7692 0.7822 0.7841 0.7928 1.8140 1.8215 1.8739 1.8755 2.5629 2.5630 2.6987 2.7022 3.0767 3.1004 3.3188 3.3366 3.4022 3.4070 3.8574 3.8589 6.3116 6.3130 9.1086 9.1097 11.7265 11.7559 13.1510 13.1673 k = 0.5243 0.4004 0.3117 ( 2394 PWs) bands (ev): -23.5781 -23.5781 -17.5117 -17.5116 -17.5090 -17.5090 -5.6605 -5.6603 -5.3055 -5.3052 -3.7235 -3.7231 -3.7153 -3.7150 0.7758 0.7848 0.7859 0.7915 1.8158 1.8214 1.8750 1.8756 2.5644 2.5650 2.7022 2.7037 3.0844 3.1018 3.3277 3.3404 3.4083 3.4104 3.8550 3.8559 6.2962 6.2972 9.1038 9.1046 11.7320 11.7542 13.1502 13.1625 k = 0.5162 0.4021 0.3215 ( 2386 PWs) bands (ev): -23.5781 -23.5781 -17.5116 -17.5116 -17.5090 -17.5090 -5.6634 -5.6633 -5.3067 -5.3066 -3.7213 -3.7211 -3.7162 -3.7160 0.7811 0.7858 0.7880 0.7903 1.8174 1.8212 1.8756 1.8758 2.5656 2.5663 2.7046 2.7050 3.0906 3.1022 3.3343 3.3426 3.4127 3.4133 3.8532 3.8537 6.2852 6.2859 9.1003 9.1008 11.7371 11.7521 13.1501 13.1583 k = 0.5081 0.4039 0.3314 ( 2384 PWs) bands (ev): -23.5780 -23.5780 -17.5116 -17.5116 -17.5090 -17.5090 -5.6651 -5.6651 -5.3075 -5.3074 -3.7203 -3.7203 -3.7163 -3.7162 0.7849 0.7867 0.7887 0.7892 1.8187 1.8207 1.8760 1.8760 2.5665 2.5669 2.7059 2.7059 3.0955 3.1013 3.3390 3.3430 3.4153 3.4154 3.8521 3.8524 6.2786 6.2789 9.0981 9.0984 11.7418 11.7493 13.1508 13.1550 k = 0.5000 0.4056 0.3412 ( 2376 PWs) bands (ev): -23.5780 -23.5780 -17.5116 -17.5116 -17.5089 -17.5089 -5.6657 -5.6657 -5.3077 -5.3077 -3.7202 -3.7202 -3.7162 -3.7162 0.7870 0.7870 0.7885 0.7885 1.8199 1.8199 1.8761 1.8761 2.5669 2.5669 2.7063 2.7063 3.0991 3.0991 3.3419 3.3419 3.4162 3.4162 3.8519 3.8519 6.2765 6.2765 9.0975 9.0975 11.7459 11.7459 13.1525 13.1525 k = 0.5000 0.4056 0.3412 ( 2376 PWs) bands (ev): -23.5780 -23.5780 -17.5116 -17.5116 -17.5089 -17.5089 -5.6657 -5.6657 -5.3077 -5.3077 -3.7202 -3.7202 -3.7162 -3.7162 0.7870 0.7870 0.7885 0.7885 1.8199 1.8199 1.8761 1.8761 2.5669 2.5669 2.7063 2.7063 3.0991 3.0991 3.3419 3.3419 3.4162 3.4162 3.8519 3.8519 6.2765 6.2765 9.0975 9.0975 11.7459 11.7459 13.1525 13.1525 k = 0.4911 0.3983 0.3351 ( 2385 PWs) bands (ev): -23.5781 -23.5781 -17.5115 -17.5115 -17.5089 -17.5089 -5.6665 -5.6665 -5.3067 -5.3067 -3.7202 -3.7201 -3.7162 -3.7162 0.7871 0.7871 0.7876 0.7896 1.8196 1.8196 1.8745 1.8771 2.5667 2.5667 2.6995 2.7127 3.0986 3.0986 3.3422 3.3422 3.4118 3.4204 3.8517 3.8517 6.2767 6.2767 9.0969 9.0969 11.7460 11.7460 13.1529 13.1529 k = 0.4821 0.3911 0.3290 ( 2397 PWs) bands (ev): -23.5782 -23.5782 -17.5114 -17.5114 -17.5088 -17.5088 -5.6689 -5.6689 -5.3038 -5.3038 -3.7201 -3.7199 -3.7160 -3.7160 0.7868 0.7873 0.7873 0.7909 1.8190 1.8190 1.8722 1.8775 2.5660 2.5660 2.6924 2.7188 3.0972 3.0972 3.3430 3.3430 3.4072 3.4244 3.8513 3.8513 6.2775 6.2775 9.0950 9.0950 11.7466 11.7466 13.1540 13.1540 k = 0.4732 0.3838 0.3229 ( 2391 PWs) bands (ev): -23.5784 -23.5784 -17.5112 -17.5112 -17.5086 -17.5086 -5.6728 -5.6728 -5.2990 -5.2990 -3.7199 -3.7197 -3.7158 -3.7158 0.7863 0.7878 0.7878 0.7924 1.8180 1.8180 1.8695 1.8773 2.5650 2.5650 2.6851 2.7246 3.0949 3.0949 3.3444 3.3444 3.4026 3.4283 3.8506 3.8506 6.2787 6.2787 9.0919 9.0919 11.7474 11.7474 13.1560 13.1560 k = 0.4643 0.3766 0.3169 ( 2394 PWs) bands (ev): -23.5787 -23.5787 -17.5110 -17.5110 -17.5083 -17.5083 -5.6781 -5.6781 -5.2924 -5.2924 -3.7196 -3.7193 -3.7155 -3.7155 0.7860 0.7884 0.7884 0.7942 1.8166 1.8166 1.8661 1.8765 2.5635 2.5635 2.6776 2.7300 3.0918 3.0918 3.3462 3.3462 3.3978 3.4320 3.8496 3.8496 6.2804 6.2804 9.0876 9.0876 11.7483 11.7483 13.1588 13.1588 k = 0.4554 0.3694 0.3108 ( 2406 PWs) bands (ev): -23.5791 -23.5791 -17.5106 -17.5106 -17.5080 -17.5080 -5.6846 -5.6846 -5.2843 -5.2843 -3.7193 -3.7189 -3.7151 -3.7151 0.7859 0.7892 0.7892 0.7960 1.8147 1.8147 1.8622 1.8750 2.5615 2.5615 2.6698 2.7350 3.0877 3.0877 3.3485 3.3485 3.3929 3.4354 3.8483 3.8483 6.2824 6.2824 9.0822 9.0822 11.7490 11.7490 13.1623 13.1623 k = 0.4464 0.3621 0.3047 ( 2412 PWs) bands (ev): -23.5795 -23.5795 -17.5102 -17.5102 -17.5075 -17.5075 -5.6921 -5.6921 -5.2748 -5.2748 -3.7189 -3.7184 -3.7146 -3.7146 0.7860 0.7903 0.7903 0.7981 1.8125 1.8125 1.8577 1.8730 2.5592 2.5592 2.6618 2.7396 3.0831 3.0831 3.3512 3.3512 3.3879 3.4387 3.8468 3.8468 6.2849 6.2849 9.0757 9.0757 11.7493 11.7493 13.1667 13.1667 k = 0.4375 0.3549 0.2986 ( 2412 PWs) bands (ev): -23.5801 -23.5801 -17.5097 -17.5097 -17.5070 -17.5070 -5.7005 -5.7005 -5.2641 -5.2641 -3.7183 -3.7178 -3.7140 -3.7140 0.7863 0.7915 0.7915 0.8004 1.8099 1.8099 1.8527 1.8703 2.5565 2.5565 2.6538 2.7439 3.0778 3.0778 3.3542 3.3542 3.3829 3.4417 3.8450 3.8450 6.2877 6.2877 9.0682 9.0682 11.7488 11.7488 13.1719 13.1719 k = 0.4286 0.3476 0.2925 ( 2412 PWs) bands (ev): -23.5807 -23.5807 -17.5091 -17.5091 -17.5065 -17.5064 -5.7096 -5.7096 -5.2523 -5.2523 -3.7177 -3.7171 -3.7134 -3.7134 0.7868 0.7929 0.7929 0.8029 1.8069 1.8069 1.8472 1.8671 2.5535 2.5535 2.6456 2.7477 3.0719 3.0719 3.3574 3.3574 3.3779 3.4445 3.8430 3.8430 6.2908 6.2908 9.0598 9.0598 11.7474 11.7474 13.1780 13.1780 k = 0.4196 0.3404 0.2864 ( 2412 PWs) bands (ev): -23.5814 -23.5814 -17.5084 -17.5084 -17.5058 -17.5058 -5.7193 -5.7193 -5.2397 -5.2397 -3.7170 -3.7163 -3.7126 -3.7126 0.7875 0.7945 0.7945 0.8056 1.8035 1.8035 1.8412 1.8632 2.5501 2.5501 2.6374 2.7511 3.0655 3.0655 3.3609 3.3609 3.3728 3.4471 3.8407 3.8407 6.2942 6.2942 9.0505 9.0505 11.7447 11.7447 13.1850 13.1850 k = 0.4107 0.3331 0.2803 ( 2427 PWs) bands (ev): -23.5821 -23.5821 -17.5077 -17.5077 -17.5051 -17.5051 -5.7293 -5.7293 -5.2263 -5.2263 -3.7163 -3.7155 -3.7118 -3.7118 0.7884 0.7962 0.7962 0.8085 1.7996 1.7996 1.8347 1.8586 2.5462 2.5462 2.6290 2.7540 3.0587 3.0587 3.3644 3.3644 3.3676 3.4494 3.8381 3.8381 6.2978 6.2978 9.0405 9.0405 11.7405 11.7405 13.1929 13.1929 k = 0.4018 0.3259 0.2742 ( 2427 PWs) bands (ev): -23.5830 -23.5830 -17.5069 -17.5069 -17.5043 -17.5043 -5.7397 -5.7397 -5.2123 -5.2123 -3.7155 -3.7146 -3.7109 -3.7109 0.7896 0.7982 0.7982 0.8115 1.7954 1.7954 1.8277 1.8535 2.5421 2.5421 2.6208 2.7566 3.0515 3.0515 3.3625 3.3680 3.3680 3.4514 3.8353 3.8353 6.3015 6.3015 9.0297 9.0297 11.7346 11.7346 13.2018 13.2018 k = 0.3929 0.3187 0.2681 ( 2424 PWs) bands (ev): -23.5839 -23.5839 -17.5061 -17.5061 -17.5034 -17.5034 -5.7502 -5.7502 -5.1978 -5.1978 -3.7145 -3.7136 -3.7100 -3.7100 0.7910 0.8004 0.8004 0.8148 1.7908 1.7908 1.8202 1.8477 2.5377 2.5377 2.6125 2.7587 3.0441 3.0441 3.3574 3.3717 3.3717 3.4532 3.8323 3.8323 6.3052 6.3052 9.0183 9.0183 11.7269 11.7269 13.2117 13.2117 k = 0.3839 0.3114 0.2620 ( 2430 PWs) bands (ev): -23.5849 -23.5849 -17.5052 -17.5052 -17.5025 -17.5025 -5.7609 -5.7609 -5.1829 -5.1829 -3.7136 -3.7126 -3.7089 -3.7089 0.7926 0.8028 0.8028 0.8183 1.7857 1.7857 1.8123 1.8413 2.5331 2.5331 2.6042 2.7603 3.0364 3.0364 3.3522 3.3753 3.3753 3.4546 3.8291 3.8291 6.3090 6.3090 9.0063 9.0063 11.7174 11.7174 13.2227 13.2227 k = 0.3750 0.3042 0.2559 ( 2427 PWs) bands (ev): -23.5859 -23.5859 -17.5042 -17.5042 -17.5015 -17.5015 -5.7715 -5.7715 -5.1677 -5.1677 -3.7125 -3.7115 -3.7079 -3.7079 0.7945 0.8054 0.8054 0.8220 1.7802 1.7802 1.8040 1.8343 2.5281 2.5281 2.5961 2.7615 3.0285 3.0285 3.3471 3.3789 3.3789 3.4558 3.8256 3.8256 6.3127 6.3127 8.9937 8.9937 11.7064 11.7064 13.2348 13.2348 k = 0.3661 0.2969 0.2498 ( 2427 PWs) bands (ev): -23.5870 -23.5870 -17.5032 -17.5032 -17.5005 -17.5005 -5.7822 -5.7822 -5.1523 -5.1523 -3.7115 -3.7104 -3.7067 -3.7067 0.7966 0.8083 0.8083 0.8258 1.7743 1.7743 1.7952 1.8267 2.5230 2.5230 2.5881 2.7623 3.0205 3.0205 3.3421 3.3824 3.3824 3.4566 3.8220 3.8220 6.3163 6.3163 8.9805 8.9805 11.6939 11.6939 13.2482 13.2482 k = 0.3571 0.2897 0.2437 ( 2430 PWs) bands (ev): -23.5881 -23.5881 -17.5021 -17.5021 -17.4994 -17.4994 -5.7927 -5.7927 -5.1368 -5.1368 -3.7103 -3.7092 -3.7055 -3.7055 0.7989 0.8113 0.8113 0.8299 1.7679 1.7679 1.7860 1.8185 2.5175 2.5175 2.5803 2.7627 3.0124 3.0124 3.3370 3.3857 3.3857 3.4572 3.8182 3.8182 6.3197 6.3197 8.9667 8.9667 11.6804 11.6804 13.2627 13.2627 k = 0.3482 0.2824 0.2376 ( 2430 PWs) bands (ev): -23.5894 -23.5894 -17.5009 -17.5009 -17.4983 -17.4982 -5.8030 -5.8030 -5.1212 -5.1212 -3.7091 -3.7079 -3.7043 -3.7043 0.8015 0.8146 0.8146 0.8341 1.7612 1.7612 1.7764 1.8097 2.5120 2.5120 2.5726 2.7627 3.0043 3.0043 3.3321 3.3889 3.3889 3.4575 3.8142 3.8142 6.3229 6.3229 8.9523 8.9523 11.6663 11.6663 13.2786 13.2786 k = 0.3393 0.2752 0.2315 ( 2436 PWs) bands (ev): -23.5906 -23.5906 -17.4998 -17.4998 -17.4971 -17.4971 -5.8132 -5.8132 -5.1056 -5.1056 -3.7079 -3.7066 -3.7030 -3.7030 0.8043 0.8181 0.8181 0.8386 1.7540 1.7540 1.7664 1.8004 2.5063 2.5063 2.5651 2.7622 2.9962 2.9962 3.3272 3.3920 3.3920 3.4574 3.8101 3.8101 6.3259 6.3259 8.9373 8.9373 11.6519 11.6519 13.2959 13.2959 k = 0.3304 0.2680 0.2255 ( 2448 PWs) bands (ev): -23.5919 -23.5919 -17.4985 -17.4985 -17.4959 -17.4958 -5.8232 -5.8232 -5.0900 -5.0900 -3.7066 -3.7053 -3.7017 -3.7017 0.8073 0.8218 0.8218 0.8432 1.7463 1.7463 1.7561 1.7904 2.5005 2.5005 2.5579 2.7612 2.9880 2.9880 3.3224 3.3949 3.3949 3.4570 3.8058 3.8058 6.3284 6.3284 8.9215 8.9215 11.6379 11.6379 13.3145 13.3145 k = 0.3214 0.2607 0.2194 ( 2448 PWs) bands (ev): -23.5933 -23.5933 -17.4973 -17.4973 -17.4946 -17.4946 -5.8328 -5.8328 -5.0745 -5.0745 -3.7053 -3.7040 -3.7003 -3.7003 0.8107 0.8258 0.8258 0.8481 1.7382 1.7382 1.7454 1.7799 2.4947 2.4947 2.5510 2.7599 2.9799 2.9799 3.3177 3.3976 3.3976 3.4563 3.8013 3.8013 6.3307 6.3307 8.9051 8.9051 11.6247 11.6247 13.3346 13.3346 k = 0.3125 0.2535 0.2133 ( 2460 PWs) bands (ev): -23.5946 -23.5946 -17.4960 -17.4960 -17.4933 -17.4933 -5.8422 -5.8422 -5.0591 -5.0591 -3.7040 -3.7026 -3.6989 -3.6989 0.8143 0.8300 0.8300 0.8532 1.7297 1.7297 1.7343 1.7688 2.4887 2.4887 2.5443 2.7583 2.9719 2.9719 3.3129 3.4000 3.4000 3.4552 3.7968 3.7968 6.3325 6.3325 8.8877 8.8877 11.6130 11.6130 13.3562 13.3562 k = 0.3036 0.2462 0.2072 ( 2460 PWs) bands (ev): -23.5960 -23.5960 -17.4947 -17.4947 -17.4920 -17.4919 -5.8513 -5.8513 -5.0439 -5.0439 -3.7027 -3.7013 -3.6975 -3.6975 0.8182 0.8345 0.8345 0.8585 1.7207 1.7207 1.7230 1.7571 2.4828 2.4828 2.5380 2.7562 2.9641 2.9641 3.3085 3.4023 3.4023 3.4539 3.7922 3.7922 6.3340 6.3340 8.8695 8.8695 11.6031 11.6031 13.3794 13.3794 k = 0.2946 0.2390 0.2011 ( 2460 PWs) bands (ev): -23.5975 -23.5975 -17.4933 -17.4933 -17.4906 -17.4906 -5.8601 -5.8601 -5.0289 -5.0289 -3.7013 -3.6998 -3.6961 -3.6961 0.8224 0.8393 0.8393 0.8641 1.7112 1.7112 1.7113 1.7450 2.4770 2.4770 2.5321 2.7539 2.9565 2.9565 3.3042 3.4045 3.4045 3.4523 3.7875 3.7875 6.3350 6.3350 8.8503 8.8503 11.5956 11.5956 13.4040 13.4040 k = 0.2857 0.2318 0.1950 ( 2457 PWs) bands (ev): -23.5989 -23.5989 -17.4919 -17.4919 -17.4892 -17.4892 -5.8685 -5.8685 -5.0142 -5.0142 -3.6999 -3.6984 -3.6947 -3.6947 0.8269 0.8444 0.8444 0.8699 1.6993 1.7013 1.7013 1.7323 2.4712 2.4712 2.5265 2.7511 2.9490 2.9490 3.3000 3.4064 3.4064 3.4504 3.7827 3.7827 6.3357 6.3357 8.8301 8.8301 11.5909 11.5909 13.4302 13.4302 k = 0.2768 0.2245 0.1889 ( 2457 PWs) bands (ev): -23.6004 -23.6004 -17.4905 -17.4905 -17.4878 -17.4878 -5.8765 -5.8765 -4.9997 -4.9997 -3.6985 -3.6970 -3.6932 -3.6932 0.8317 0.8498 0.8498 0.8759 1.6870 1.6909 1.6909 1.7191 2.4655 2.4655 2.5214 2.7480 2.9417 2.9417 3.2960 3.4082 3.4082 3.4482 3.7778 3.7778 6.3359 6.3359 8.8089 8.8089 11.5894 11.5894 13.4580 13.4580 k = 0.2679 0.2173 0.1828 ( 2457 PWs) bands (ev): -23.6019 -23.6019 -17.4891 -17.4891 -17.4864 -17.4864 -5.8842 -5.8842 -4.9856 -4.9856 -3.6971 -3.6956 -3.6918 -3.6918 0.8368 0.8554 0.8554 0.8822 1.6744 1.6801 1.6801 1.7054 2.4599 2.4599 2.5166 2.7446 2.9346 2.9346 3.2922 3.4097 3.4097 3.4457 3.7729 3.7729 6.3357 6.3357 8.7866 8.7866 11.5915 11.5915 13.4873 13.4873 k = 0.2589 0.2100 0.1767 ( 2451 PWs) bands (ev): -23.6034 -23.6034 -17.4877 -17.4877 -17.4850 -17.4849 -5.8915 -5.8915 -4.9719 -4.9719 -3.6957 -3.6942 -3.6903 -3.6903 0.8423 0.8614 0.8614 0.8888 1.6616 1.6688 1.6688 1.6913 2.4545 2.4545 2.5123 2.7409 2.9278 2.9278 3.2886 3.4111 3.4111 3.4430 3.7680 3.7680 6.3352 6.3352 8.7632 8.7632 11.5973 11.5973 13.5182 13.5182 k = 0.2500 0.2028 0.1706 ( 2451 PWs) bands (ev): -23.6049 -23.6049 -17.4863 -17.4863 -17.4836 -17.4835 -5.8984 -5.8984 -4.9585 -4.9585 -3.6943 -3.6928 -3.6889 -3.6889 0.8481 0.8678 0.8678 0.8956 1.6484 1.6570 1.6570 1.6767 2.4493 2.4493 2.5084 2.7369 2.9211 2.9211 3.2852 3.4122 3.4122 3.4400 3.7631 3.7631 6.3343 6.3343 8.7388 8.7388 11.6072 11.6072 13.5506 13.5506 k = 0.2411 0.1955 0.1645 ( 2454 PWs) bands (ev): -23.6064 -23.6064 -17.4848 -17.4848 -17.4821 -17.4821 -5.9049 -5.9049 -4.9455 -4.9455 -3.6929 -3.6914 -3.6875 -3.6875 0.8542 0.8744 0.8744 0.9026 1.6350 1.6447 1.6447 1.6617 2.4441 2.4441 2.5049 2.7326 2.9147 2.9147 3.2820 3.4132 3.4132 3.4367 3.7582 3.7582 6.3330 6.3330 8.7132 8.7132 11.6211 11.6211 13.5845 13.5845 k = 0.2321 0.1883 0.1584 ( 2454 PWs) bands (ev): -23.6079 -23.6079 -17.4834 -17.4834 -17.4807 -17.4806 -5.9111 -5.9111 -4.9330 -4.9330 -3.6916 -3.6901 -3.6861 -3.6861 0.8607 0.8814 0.8814 0.9100 1.6214 1.6320 1.6320 1.6462 2.4393 2.4393 2.5019 2.7280 2.9086 2.9086 3.2790 3.4140 3.4140 3.4331 3.7533 3.7533 6.3314 6.3314 8.6867 8.6867 11.6393 11.6393 13.6199 13.6199 k = 0.2232 0.1811 0.1523 ( 2454 PWs) bands (ev): -23.6094 -23.6094 -17.4820 -17.4820 -17.4793 -17.4792 -5.9169 -5.9169 -4.9209 -4.9209 -3.6902 -3.6887 -3.6847 -3.6847 0.8676 0.8888 0.8888 0.9176 1.6075 1.6189 1.6189 1.6304 2.4346 2.4346 2.4994 2.7232 2.9028 2.9028 3.2763 3.4147 3.4147 3.4294 3.7484 3.7484 6.3296 6.3296 8.6594 8.6594 11.6617 11.6617 13.6568 13.6568 k = 0.2143 0.1738 0.1462 ( 2454 PWs) bands (ev): -23.6109 -23.6109 -17.4806 -17.4806 -17.4779 -17.4778 -5.9223 -5.9223 -4.9093 -4.9093 -3.6889 -3.6874 -3.6834 -3.6834 0.8748 0.8965 0.8965 0.9256 1.5934 1.6053 1.6053 1.6142 2.4302 2.4302 2.4973 2.7182 2.8973 2.8973 3.2738 3.4152 3.4152 3.4253 3.7436 3.7436 6.3276 6.3276 8.6312 8.6312 11.6883 11.6883 13.6951 13.6951 k = 0.2054 0.1666 0.1401 ( 2454 PWs) bands (ev): -23.6124 -23.6124 -17.4792 -17.4792 -17.4765 -17.4764 -5.9273 -5.9273 -4.8981 -4.8981 -3.6876 -3.6861 -3.6820 -3.6820 0.8824 0.9047 0.9047 0.9338 1.5791 1.5913 1.5913 1.5977 2.4261 2.4261 2.4956 2.7129 2.8920 2.8920 3.2716 3.4155 3.4155 3.4211 3.7389 3.7389 6.3253 6.3253 8.6024 8.6024 11.7191 11.7191 13.7347 13.7347 k = 0.1964 0.1593 0.1341 ( 2448 PWs) bands (ev): -23.6138 -23.6138 -17.4778 -17.4778 -17.4751 -17.4751 -5.9319 -5.9319 -4.8875 -4.8875 -3.6863 -3.6849 -3.6807 -3.6807 0.8905 0.9132 0.9132 0.9423 1.5646 1.5769 1.5769 1.5808 2.4222 2.4222 2.4945 2.7074 2.8871 2.8871 3.2697 3.4158 3.4158 3.4168 3.7342 3.7342 6.3230 6.3230 8.5731 8.5731 11.7538 11.7538 13.7756 13.7756 k = 0.1875 0.1521 0.1280 ( 2448 PWs) bands (ev): -23.6152 -23.6152 -17.4765 -17.4765 -17.4738 -17.4737 -5.9362 -5.9362 -4.8773 -4.8773 -3.6851 -3.6837 -3.6795 -3.6795 0.8989 0.9221 0.9221 0.9512 1.5498 1.5621 1.5621 1.5636 2.4186 2.4186 2.4937 2.7017 2.8825 2.8825 3.2681 3.4122 3.4159 3.4159 3.7297 3.7297 6.3205 6.3205 8.5435 8.5435 11.7924 11.7924 13.8178 13.8178 k = 0.1786 0.1448 0.1219 ( 2436 PWs) bands (ev): -23.6166 -23.6166 -17.4752 -17.4752 -17.4724 -17.4724 -5.9402 -5.9402 -4.8677 -4.8677 -3.6839 -3.6825 -3.6783 -3.6783 0.9078 0.9314 0.9314 0.9603 1.5349 1.5462 1.5469 1.5469 2.4153 2.4153 2.4935 2.6959 2.8782 2.8782 3.2668 3.4074 3.4160 3.4160 3.7252 3.7252 6.3180 6.3180 8.5137 8.5137 11.8346 11.8346 13.8611 13.8611 k = 0.1696 0.1376 0.1158 ( 2436 PWs) bands (ev): -23.6179 -23.6179 -17.4739 -17.4739 -17.4712 -17.4711 -5.9438 -5.9438 -4.8585 -4.8585 -3.6828 -3.6814 -3.6771 -3.6771 0.9171 0.9411 0.9411 0.9698 1.5198 1.5286 1.5313 1.5313 2.4122 2.4122 2.4937 2.6899 2.8741 2.8741 3.2657 3.4025 3.4159 3.4159 3.7209 3.7209 6.3155 6.3155 8.4838 8.4838 11.8801 11.8801 13.9054 13.9054 k = 0.1607 0.1304 0.1097 ( 2438 PWs) bands (ev): -23.6192 -23.6192 -17.4727 -17.4727 -17.4699 -17.4699 -5.9471 -5.9471 -4.8499 -4.8499 -3.6816 -3.6804 -3.6760 -3.6760 0.9267 0.9512 0.9512 0.9796 1.5046 1.5107 1.5154 1.5154 2.4093 2.4093 2.4943 2.6837 2.8704 2.8704 3.2648 3.3973 3.4156 3.4156 3.7167 3.7167 6.3130 6.3130 8.4542 8.4542 11.9288 11.9288 13.9505 13.9505 k = 0.1518 0.1231 0.1036 ( 2438 PWs) bands (ev): -23.6205 -23.6205 -17.4715 -17.4715 -17.4687 -17.4687 -5.9501 -5.9501 -4.8418 -4.8418 -3.6806 -3.6793 -3.6749 -3.6749 0.9369 0.9618 0.9618 0.9898 1.4892 1.4926 1.4992 1.4992 2.4068 2.4068 2.4953 2.6774 2.8669 2.8669 3.2644 3.3922 3.4154 3.4154 3.7126 3.7126 6.3105 6.3105 8.4249 8.4249 11.9802 11.9802 13.9964 13.9964 k = 0.1429 0.1159 0.0975 ( 2438 PWs) bands (ev): -23.6217 -23.6217 -17.4703 -17.4703 -17.4676 -17.4675 -5.9528 -5.9528 -4.8343 -4.8343 -3.6796 -3.6784 -3.6739 -3.6739 0.9474 0.9728 0.9728 1.0002 1.4737 1.4744 1.4827 1.4827 2.4044 2.4044 2.4968 2.6710 2.8637 2.8637 3.2642 3.3869 3.4151 3.4151 3.7088 3.7088 6.3082 6.3082 8.3961 8.3961 12.0340 12.0340 14.0428 14.0428 k = 0.1339 0.1086 0.0914 ( 2441 PWs) bands (ev): -23.6229 -23.6229 -17.4692 -17.4692 -17.4665 -17.4664 -5.9552 -5.9552 -4.8272 -4.8272 -3.6786 -3.6775 -3.6729 -3.6729 0.9583 0.9842 0.9842 1.0110 1.4561 1.4580 1.4659 1.4659 2.4022 2.4022 2.4986 2.6645 2.8607 2.8607 3.2644 3.3815 3.4147 3.4147 3.7050 3.7050 6.3059 6.3059 8.3680 8.3680 12.0899 12.0899 14.0896 14.0896 k = 0.1250 0.1014 0.0853 ( 2447 PWs) bands (ev): -23.6239 -23.6239 -17.4682 -17.4682 -17.4654 -17.4654 -5.9574 -5.9574 -4.8207 -4.8207 -3.6777 -3.6766 -3.6720 -3.6720 0.9697 0.9960 0.9960 1.0220 1.4377 1.4423 1.4489 1.4489 2.4003 2.4003 2.5009 2.6579 2.8580 2.8580 3.2649 3.3760 3.4143 3.4143 3.7015 3.7015 6.3038 6.3038 8.3409 8.3409 12.1474 12.1474 14.1366 14.1366 k = 0.1161 0.0941 0.0792 ( 2441 PWs) bands (ev): -23.6250 -23.6250 -17.4672 -17.4672 -17.4644 -17.4644 -5.9593 -5.9593 -4.8147 -4.8147 -3.6768 -3.6758 -3.6712 -3.6712 0.9815 1.0082 1.0082 1.0334 1.4192 1.4265 1.4317 1.4317 2.3986 2.3986 2.5035 2.6512 2.8557 2.8557 3.2657 3.3705 3.4139 3.4139 3.6982 3.6982 6.3018 6.3018 8.3148 8.3148 12.2060 12.2060 14.1833 14.1833 k = 0.1071 0.0869 0.0731 ( 2441 PWs) bands (ev): -23.6260 -23.6260 -17.4663 -17.4663 -17.4635 -17.4635 -5.9610 -5.9610 -4.8092 -4.8092 -3.6760 -3.6751 -3.6704 -3.6704 0.9937 1.0209 1.0209 1.0451 1.4008 1.4107 1.4144 1.4144 2.3971 2.3971 2.5065 2.6445 2.8535 2.8535 3.2668 3.3650 3.4134 3.4134 3.6951 3.6951 6.3000 6.3000 8.2899 8.2899 12.2652 12.2652 14.2297 14.2297 k = 0.0982 0.0797 0.0670 ( 2441 PWs) bands (ev): -23.6269 -23.6269 -17.4654 -17.4654 -17.4626 -17.4626 -5.9625 -5.9625 -4.8041 -4.8041 -3.6753 -3.6744 -3.6697 -3.6697 1.0064 1.0339 1.0339 1.0570 1.3823 1.3948 1.3969 1.3969 2.3958 2.3958 2.5098 2.6377 2.8516 2.8516 3.2682 3.3594 3.4130 3.4130 3.6922 3.6922 6.2983 6.2983 8.2663 8.2663 12.3244 12.3244 14.2752 14.2752 k = 0.0893 0.0724 0.0609 ( 2435 PWs) bands (ev): -23.6277 -23.6277 -17.4646 -17.4646 -17.4618 -17.4618 -5.9638 -5.9638 -4.7996 -4.7996 -3.6746 -3.6738 -3.6690 -3.6690 1.0194 1.0474 1.0474 1.0692 1.3640 1.3789 1.3793 1.3793 2.3947 2.3947 2.5135 2.6309 2.8499 2.8499 3.2700 3.3539 3.4126 3.4126 3.6895 3.6895 6.2968 6.2968 8.2443 8.2443 12.3830 12.3830 14.3194 14.3194 k = 0.0804 0.0652 0.0548 ( 2441 PWs) bands (ev): -23.6285 -23.6285 -17.4639 -17.4639 -17.4611 -17.4611 -5.9649 -5.9649 -4.7955 -4.7955 -3.6740 -3.6732 -3.6684 -3.6684 1.0328 1.0613 1.0613 1.0817 1.3457 1.3616 1.3616 1.3630 2.3937 2.3937 2.5174 2.6240 2.8484 2.8484 3.2720 3.3484 3.4121 3.4121 3.6871 3.6871 6.2955 6.2955 8.2239 8.2239 12.4401 12.4401 14.3621 14.3621 k = 0.0714 0.0579 0.0487 ( 2453 PWs) bands (ev): -23.6291 -23.6291 -17.4632 -17.4632 -17.4604 -17.4604 -5.9659 -5.9659 -4.7919 -4.7919 -3.6734 -3.6728 -3.6678 -3.6678 1.0465 1.0754 1.0754 1.0942 1.3277 1.3438 1.3438 1.3473 2.3928 2.3928 2.5216 2.6171 2.8470 2.8470 3.2743 3.3428 3.4117 3.4117 3.6848 3.6848 6.2943 6.2943 8.2053 8.2053 12.4952 12.4952 14.4025 14.4025 k = 0.0625 0.0507 0.0427 ( 2450 PWs) bands (ev): -23.6298 -23.6298 -17.4626 -17.4626 -17.4598 -17.4598 -5.9667 -5.9667 -4.7887 -4.7887 -3.6729 -3.6723 -3.6674 -3.6674 1.0605 1.0900 1.0900 1.1069 1.3100 1.3261 1.3261 1.3316 2.3921 2.3921 2.5262 2.6103 2.8459 2.8459 3.2769 3.3374 3.4113 3.4113 3.6828 3.6828 6.2933 6.2933 8.1887 8.1887 12.5471 12.5471 14.4402 14.4402 k = 0.0536 0.0435 0.0366 ( 2444 PWs) bands (ev): -23.6303 -23.6303 -17.4621 -17.4621 -17.4593 -17.4593 -5.9674 -5.9674 -4.7860 -4.7860 -3.6725 -3.6720 -3.6669 -3.6669 1.0749 1.1050 1.1050 1.1195 1.2927 1.3084 1.3084 1.3161 2.3916 2.3916 2.5311 2.6036 2.8450 2.8450 3.2798 3.3320 3.4110 3.4110 3.6811 3.6811 6.2925 6.2925 8.1740 8.1740 12.5951 12.5951 14.4746 14.4746 k = 0.0446 0.0362 0.0305 ( 2444 PWs) bands (ev): -23.6308 -23.6308 -17.4617 -17.4617 -17.4589 -17.4589 -5.9679 -5.9679 -4.7837 -4.7837 -3.6721 -3.6717 -3.6666 -3.6666 1.0894 1.1202 1.1202 1.1319 1.2761 1.2909 1.2909 1.3008 2.3911 2.3911 2.5362 2.5969 2.8442 2.8442 3.2830 3.3268 3.4107 3.4107 3.6797 3.6797 6.2918 6.2918 8.1614 8.1614 12.6381 12.6381 14.5050 14.5050 k = 0.0357 0.0290 0.0244 ( 2450 PWs) bands (ev): -23.6311 -23.6311 -17.4613 -17.4613 -17.4585 -17.4585 -5.9683 -5.9683 -4.7818 -4.7818 -3.6718 -3.6714 -3.6663 -3.6663 1.1040 1.1357 1.1357 1.1435 1.2605 1.2734 1.2734 1.2859 2.3906 2.3906 2.5415 2.5903 2.8435 2.8435 3.2864 3.3216 3.4104 3.4104 3.6785 3.6785 6.2913 6.2913 8.1510 8.1510 12.6750 12.6750 14.5309 14.5309 k = 0.0268 0.0217 0.0183 ( 2453 PWs) bands (ev): -23.6314 -23.6314 -17.4610 -17.4610 -17.4582 -17.4582 -5.9687 -5.9687 -4.7804 -4.7804 -3.6715 -3.6713 -3.6661 -3.6661 1.1185 1.1513 1.1513 1.1537 1.2470 1.2563 1.2563 1.2715 2.3903 2.3903 2.5470 2.5837 2.8430 2.8430 3.2901 3.3166 3.4102 3.4102 3.6775 3.6775 6.2908 6.2908 8.1428 8.1428 12.7050 12.7050 14.5517 14.5517 k = 0.0179 0.0145 0.0122 ( 2465 PWs) bands (ev): -23.6316 -23.6316 -17.4609 -17.4609 -17.4581 -17.4580 -5.9689 -5.9689 -4.7793 -4.7793 -3.6713 -3.6712 -3.6659 -3.6659 1.1326 1.1606 1.1668 1.1668 1.2371 1.2396 1.2396 1.2580 2.3901 2.3901 2.5527 2.5772 2.8426 2.8426 3.2939 3.3116 3.4100 3.4100 3.6768 3.6768 6.2906 6.2906 8.1369 8.1369 12.7271 12.7271 14.5669 14.5669 k = 0.0089 0.0072 0.0061 ( 2465 PWs) bands (ev): -23.6318 -23.6318 -17.4607 -17.4607 -17.4579 -17.4579 -5.9690 -5.9690 -4.7787 -4.7787 -3.6712 -3.6711 -3.6658 -3.6658 1.1456 1.1618 1.1813 1.1813 1.2244 1.2244 1.2335 1.2461 2.3900 2.3900 2.5586 2.5709 2.8424 2.8424 3.2980 3.3069 3.4099 3.4099 3.6764 3.6764 6.2904 6.2904 8.1333 8.1333 12.7407 12.7407 14.5762 14.5762 k = 0.0000 0.0000 0.0000 ( 2483 PWs) bands (ev): -23.6318 -23.6318 -17.4607 -17.4607 -17.4579 -17.4579 -5.9691 -5.9691 -4.7785 -4.7785 -3.6711 -3.6711 -3.6658 -3.6658 1.1560 1.1560 1.1895 1.1895 1.2159 1.2159 1.2371 1.2371 2.3898 2.3898 2.5646 2.5646 2.8423 2.8423 3.3022 3.3022 3.4097 3.4097 3.6763 3.6763 6.2903 6.2903 8.1321 8.1321 12.7453 12.7453 14.5793 14.5793 k = 0.0000 0.0000 0.0000 ( 2483 PWs) bands (ev): -23.6318 -23.6318 -17.4607 -17.4607 -17.4579 -17.4579 -5.9691 -5.9691 -4.7785 -4.7785 -3.6711 -3.6711 -3.6658 -3.6658 1.1560 1.1560 1.1895 1.1895 1.2159 1.2159 1.2371 1.2371 2.3898 2.3898 2.5646 2.5646 2.8423 2.8423 3.3022 3.3022 3.4097 3.4097 3.6763 3.6763 6.2903 6.2903 8.1321 8.1321 12.7453 12.7453 14.5793 14.5793 k = 0.0082-0.0017-0.0100 ( 2469 PWs) bands (ev): -23.6318 -23.6318 -17.4608 -17.4608 -17.4580 -17.4580 -5.9682 -5.9682 -4.7788 -4.7788 -3.6712 -3.6712 -3.6658 -3.6657 1.1550 1.1551 1.1894 1.1897 1.2139 1.2160 1.2375 1.2376 2.3832 2.3960 2.5640 2.5641 2.8388 2.8447 3.3019 3.3020 3.4073 3.4107 3.6779 3.6789 6.2931 6.2935 8.1323 8.1323 12.7457 12.7459 14.5547 14.5896 k = 0.0164-0.0035-0.0199 ( 2465 PWs) bands (ev): -23.6317 -23.6317 -17.4609 -17.4609 -17.4581 -17.4581 -5.9656 -5.9655 -4.7796 -4.7796 -3.6716 -3.6714 -3.6658 -3.6656 1.1513 1.1526 1.1886 1.1898 1.2104 1.2140 1.2388 1.2391 2.3758 2.4012 2.5620 2.5627 2.8343 2.8457 3.3007 3.3009 3.4031 3.4103 3.6836 3.6855 6.3016 6.3025 8.1327 8.1328 12.7472 12.7476 14.5142 14.5847 k = 0.0246-0.0052-0.0299 ( 2465 PWs) bands (ev): -23.6315 -23.6315 -17.4613 -17.4613 -17.4584 -17.4583 -5.9613 -5.9611 -4.7810 -4.7809 -3.6727 -3.6724 -3.6652 -3.6649 1.1448 1.1488 1.1844 1.1907 1.2071 1.2107 1.2407 1.2417 2.3679 2.4056 2.5583 2.5607 2.8289 2.8453 3.2985 3.2991 3.3969 3.4091 3.6930 3.6957 6.3160 6.3172 8.1334 8.1335 12.7496 12.7502 14.4574 14.5599 k = 0.0328-0.0069-0.0399 ( 2467 PWs) bands (ev): -23.6312 -23.6312 -17.4618 -17.4618 -17.4587 -17.4586 -5.9553 -5.9549 -4.7829 -4.7828 -3.6748 -3.6742 -3.6639 -3.6634 1.1351 1.1437 1.1757 1.1916 1.2040 1.2082 1.2434 1.2454 2.3593 2.4090 2.5526 2.5585 2.8229 2.8436 3.2954 3.2969 3.3889 3.4081 3.7055 3.7090 6.3361 6.3376 8.1343 8.1345 12.7530 12.7537 14.3860 14.5097 k = 0.0411-0.0087-0.0499 ( 2461 PWs) bands (ev): -23.6309 -23.6309 -17.4626 -17.4625 -17.4590 -17.4589 -5.9475 -5.9471 -4.7854 -4.7852 -3.6777 -3.6768 -3.6619 -3.6612 1.1220 1.1364 1.1639 1.1914 1.2003 1.2086 1.2469 1.2500 2.3503 2.4112 2.5450 2.5565 2.8166 2.8408 3.2913 3.2944 3.3792 3.4077 3.7202 3.7252 6.3617 6.3636 8.1355 8.1357 12.7572 12.7580 14.3035 14.4360 k = 0.0493-0.0104-0.0598 ( 2461 PWs) bands (ev): -23.6305 -23.6305 -17.4636 -17.4634 -17.4594 -17.4591 -5.9381 -5.9376 -4.7884 -4.7882 -3.6813 -3.6803 -3.6593 -3.6585 1.1055 1.1251 1.1519 1.1877 1.1993 1.2102 1.2510 1.2557 2.3407 2.4122 2.5352 2.5548 2.8100 2.8371 3.2862 3.2919 3.3680 3.4081 3.7367 3.7437 6.3926 6.3948 8.1369 8.1372 12.7620 12.7627 14.2135 14.3471 k = 0.0575-0.0121-0.0698 ( 2459 PWs) bands (ev): -23.6300 -23.6300 -17.4648 -17.4645 -17.4597 -17.4594 -5.9270 -5.9265 -4.7919 -4.7916 -3.6857 -3.6844 -3.6562 -3.6552 1.0856 1.1076 1.1423 1.1817 1.2005 1.2123 1.2558 1.2624 2.3304 2.4119 2.5232 2.5539 2.8034 2.8329 3.2800 3.2894 3.3559 3.4095 3.7544 3.7639 6.4286 6.4312 8.1385 8.1389 12.7673 12.7678 14.1189 14.2496 k = 0.0657-0.0139-0.0798 ( 2455 PWs) bands (ev): -23.6295 -23.6295 -17.4662 -17.4659 -17.4600 -17.4597 -5.9144 -5.9138 -4.7959 -4.7956 -3.6908 -3.6893 -3.6527 -3.6515 1.0626 1.0850 1.1348 1.1750 1.2024 1.2148 1.2612 1.2700 2.3195 2.4103 2.5090 2.5539 2.7965 2.8286 3.2728 3.2871 3.3433 3.4118 3.7729 3.7851 6.4696 6.4723 8.1403 8.1408 12.7728 12.7729 14.0217 14.1478 k = 0.0739-0.0156-0.0898 ( 2453 PWs) bands (ev): -23.6289 -23.6288 -17.4678 -17.4674 -17.4603 -17.4599 -5.9003 -5.8996 -4.8003 -4.8001 -3.6965 -3.6949 -3.6486 -3.6473 1.0367 1.0588 1.1281 1.1680 1.2047 1.2175 1.2673 1.2785 2.3079 2.4077 2.4927 2.5549 2.7895 2.8246 3.2643 3.2847 3.3309 3.4148 3.7921 3.8071 6.5151 6.5181 8.1422 8.1428 12.7777 12.7784 13.9235 14.0438 k = 0.0821-0.0173-0.0997 ( 2455 PWs) bands (ev): -23.6282 -23.6282 -17.4695 -17.4691 -17.4606 -17.4602 -5.8847 -5.8839 -4.8053 -4.8050 -3.7030 -3.7012 -3.6442 -3.6426 1.0082 1.0297 1.1216 1.1608 1.2071 1.2203 1.2740 1.2877 2.2955 2.4041 2.4745 2.5569 2.7822 2.8211 3.2545 3.2819 3.3196 3.4183 3.8115 3.8293 6.5650 6.5681 8.1443 8.1450 12.7818 12.7836 13.8255 13.9390 k = 0.0903-0.0190-0.1097 ( 2451 PWs) bands (ev): -23.6275 -23.6274 -17.4714 -17.4710 -17.4610 -17.4605 -5.8677 -5.8669 -4.8108 -4.8104 -3.7101 -3.7081 -3.6393 -3.6376 0.9776 0.9985 1.1152 1.1533 1.2097 1.2232 1.2813 1.2976 2.2825 2.4000 2.4547 2.5599 2.7746 2.8183 3.2433 3.2778 3.3106 3.4223 3.8310 3.8514 6.6189 6.6222 8.1464 8.1472 12.7847 12.7883 13.7284 13.8345 k = 0.0985-0.0208-0.1197 ( 2445 PWs) bands (ev): -23.6267 -23.6267 -17.4734 -17.4729 -17.4614 -17.4608 -5.8494 -5.8485 -4.8167 -4.8163 -3.7179 -3.7158 -3.6341 -3.6322 0.9453 0.9656 1.1086 1.1456 1.2125 1.2262 1.2894 1.3083 2.2688 2.3954 2.4337 2.5637 2.7669 2.8164 3.2305 3.2717 3.3049 3.4266 3.8504 3.8733 6.6765 6.6799 8.1485 8.1495 12.7858 12.7921 13.6334 13.7309 k = 0.1067-0.0225-0.1297 ( 2445 PWs) bands (ev): -23.6258 -23.6258 -17.4756 -17.4750 -17.4617 -17.4612 -5.8299 -5.8289 -4.8230 -4.8226 -3.7264 -3.7242 -3.6286 -3.6265 0.9116 0.9313 1.1019 1.1376 1.2155 1.2293 1.2980 1.3195 2.2545 2.3901 2.4123 2.5682 2.7591 2.8152 3.2162 3.2641 3.3021 3.4310 3.8693 3.8948 6.7376 6.7411 8.1506 8.1518 12.7843 12.7945 13.5411 13.6287 k = 0.1150-0.0242-0.1396 ( 2447 PWs) bands (ev): -23.6250 -23.6249 -17.4778 -17.4773 -17.4621 -17.4615 -5.8092 -5.8082 -4.8297 -4.8293 -3.7356 -3.7332 -3.6228 -3.6205 0.8768 0.8959 1.0951 1.1293 1.2186 1.2324 1.3073 1.3313 2.2399 2.3802 2.3948 2.5733 2.7513 2.8147 3.2007 3.2558 3.3012 3.4354 3.8877 3.9155 6.8019 6.8054 8.1526 8.1540 12.7793 12.7951 13.4527 13.5284 k = 0.1232-0.0260-0.1496 ( 2441 PWs) bands (ev): -23.6240 -23.6240 -17.4802 -17.4795 -17.4626 -17.4619 -5.7875 -5.7865 -4.8369 -4.8365 -3.7455 -3.7429 -3.6167 -3.6142 0.8413 0.8599 1.0881 1.1207 1.2219 1.2356 1.3172 1.3436 2.2251 2.3598 2.3876 2.5789 2.7437 2.8149 3.1844 3.2474 3.3014 3.4396 3.9054 3.9354 6.8690 6.8724 8.1545 8.1561 12.7695 12.7935 13.3691 13.4307 k = 0.1314-0.0277-0.1596 ( 2437 PWs) bands (ev): -23.6231 -23.6230 -17.4825 -17.4819 -17.4630 -17.4624 -5.7649 -5.7638 -4.8444 -4.8440 -3.7560 -3.7533 -3.6104 -3.6077 0.8054 0.8236 1.0808 1.1118 1.2254 1.2389 1.3278 1.3564 2.2103 2.3361 2.3839 2.5848 2.7361 2.8157 3.1676 3.2393 3.3021 3.4436 3.9222 3.9544 6.9387 6.9420 8.1562 8.1581 12.7537 12.7888 13.2919 13.3362 k = 0.1396-0.0294-0.1696 ( 2437 PWs) bands (ev): -23.6221 -23.6220 -17.4850 -17.4843 -17.4635 -17.4628 -5.7414 -5.7402 -4.8522 -4.8518 -3.7671 -3.7643 -3.6039 -3.6010 0.7695 0.7871 1.0734 1.1025 1.2290 1.2422 1.3389 1.3696 2.1957 2.3116 2.3814 2.5909 2.7288 2.8170 3.1506 3.2315 3.3030 3.4473 3.9382 3.9724 7.0106 7.0138 8.1577 8.1599 12.7303 12.7803 13.2222 13.2459 k = 0.1478-0.0312-0.1795 ( 2433 PWs) bands (ev): -23.6210 -23.6210 -17.4875 -17.4868 -17.4641 -17.4633 -5.7172 -5.7160 -4.8605 -4.8600 -3.7788 -3.7759 -3.5973 -3.5942 0.7338 0.7510 1.0658 1.0930 1.2329 1.2456 1.3506 1.3831 2.1816 2.2870 2.3796 2.5973 2.7217 2.8187 3.1337 3.2240 3.3039 3.4506 3.9531 3.9893 7.0844 7.0875 8.1590 8.1614 12.6980 12.7667 13.1569 13.1655 k = 0.1560-0.0329-0.1895 ( 2429 PWs) bands (ev): -23.6199 -23.6199 -17.4900 -17.4892 -17.4646 -17.4638 -5.6923 -5.6911 -4.8690 -4.8685 -3.7912 -3.7882 -3.5905 -3.5872 0.6986 0.7154 1.0580 1.0832 1.2369 1.2490 1.3629 1.3970 2.1681 2.2626 2.3787 2.6037 2.7148 2.8209 3.1171 3.2168 3.3046 3.4533 3.9669 4.0051 7.1600 7.1628 8.1598 8.1627 12.6563 12.7462 13.0809 13.1126 k = 0.1642-0.0346-0.1995 ( 2431 PWs) bands (ev): -23.6189 -23.6188 -17.4925 -17.4917 -17.4652 -17.4643 -5.6670 -5.6658 -4.8778 -4.8773 -3.8041 -3.8010 -3.5837 -3.5802 0.6642 0.6806 1.0499 1.0730 1.2411 1.2526 1.3757 1.4111 2.1555 2.2384 2.3783 2.6101 2.7082 2.8235 3.1009 3.2098 3.3051 3.4556 3.9795 4.0196 7.2369 7.2395 8.1603 8.1635 12.6058 12.7167 13.0122 13.0707 k = 0.1724-0.0364-0.2094 ( 2423 PWs) bands (ev): -23.6178 -23.6177 -17.4950 -17.4942 -17.4658 -17.4649 -5.6414 -5.6401 -4.8868 -4.8864 -3.8175 -3.8143 -3.5769 -3.5732 0.6309 0.6469 1.0415 1.0627 1.2456 1.2564 1.3891 1.4254 2.1439 2.2149 2.3787 2.6164 2.7021 2.8266 3.0855 3.2030 3.3052 3.4573 3.9909 4.0330 7.3149 7.3172 8.1603 8.1639 12.5481 12.6761 12.9547 13.0365 k = 0.1806-0.0381-0.2194 ( 2425 PWs) bands (ev): -23.6166 -23.6166 -17.4975 -17.4966 -17.4664 -17.4655 -5.6155 -5.6142 -4.8961 -4.8957 -3.8314 -3.8281 -3.5702 -3.5662 0.5989 0.6145 1.0328 1.0521 1.2504 1.2604 1.4029 1.4398 2.1333 2.1919 2.3797 2.6224 2.6964 2.8300 3.0709 3.1964 3.3048 3.4583 4.0009 4.0450 7.3937 7.3957 8.1598 8.1639 12.4853 12.6244 12.9088 13.0079 k = 0.1889-0.0398-0.2294 ( 2425 PWs) bands (ev): -23.6155 -23.6155 -17.4999 -17.4990 -17.4670 -17.4661 -5.5896 -5.5882 -4.9056 -4.9052 -3.8456 -3.8423 -3.5635 -3.5593 0.5683 0.5836 1.0237 1.0414 1.2554 1.2645 1.4171 1.4544 2.1240 2.1696 2.3813 2.6279 2.6914 2.8338 3.0574 3.1899 3.3040 3.4586 4.0097 4.0559 7.4729 7.4746 8.1587 8.1633 12.4194 12.5640 12.8725 12.9831 k = 0.1971-0.0416-0.2394 ( 2427 PWs) bands (ev): -23.6144 -23.6143 -17.5023 -17.5014 -17.4677 -17.4667 -5.5636 -5.5623 -4.9153 -4.9149 -3.8603 -3.8569 -3.5569 -3.5525 0.5395 0.5544 1.0141 1.0306 1.2607 1.2690 1.4318 1.4690 2.1159 2.1482 2.3835 2.6326 2.6872 2.8379 3.0452 3.1835 3.3026 3.4583 4.0172 4.0654 7.5523 7.5536 8.1571 8.1622 12.3520 12.4983 12.8425 12.9607 k = 0.2053-0.0433-0.2493 ( 2425 PWs) bands (ev): -23.6132 -23.6132 -17.5046 -17.5037 -17.4684 -17.4674 -5.5379 -5.5366 -4.9252 -4.9247 -3.8752 -3.8717 -3.5505 -3.5459 0.5125 0.5271 1.0040 1.0198 1.2663 1.2737 1.4469 1.4836 2.1090 2.1279 2.3863 2.6364 2.6841 2.8425 3.0345 3.1772 3.3006 3.4573 4.0233 4.0737 7.6315 7.6326 8.1548 8.1606 12.2843 12.4300 12.8164 12.9398 k = 0.2135-0.0450-0.2593 ( 2437 PWs) bands (ev): -23.6121 -23.6120 -17.5068 -17.5059 -17.4692 -17.4681 -5.5126 -5.5113 -4.9352 -4.9347 -3.8902 -3.8867 -3.5444 -3.5396 0.4875 0.5018 0.9933 1.0091 1.2723 1.2788 1.4624 1.4982 2.1022 2.1096 2.3895 2.6388 2.6820 2.8475 3.0254 3.1709 3.2979 3.4555 4.0280 4.0806 7.7099 7.7112 8.1519 8.1585 12.2171 12.3613 12.7924 12.9198 k = 0.2217-0.0467-0.2693 ( 2439 PWs) bands (ev): -23.6109 -23.6109 -17.5089 -17.5080 -17.4699 -17.4688 -5.4877 -5.4864 -4.9452 -4.9448 -3.9054 -3.9018 -3.5385 -3.5335 0.4647 0.4787 0.9821 0.9985 1.2787 1.2842 1.4783 1.5127 2.0880 2.1012 2.3933 2.6400 2.6811 2.8529 3.0182 3.1645 3.2946 3.4530 4.0315 4.0864 7.7870 7.7891 8.1484 8.1560 12.1512 12.2933 12.7697 12.9004 k = 0.2299-0.0485-0.2793 ( 2441 PWs) bands (ev): -23.6098 -23.6098 -17.5110 -17.5100 -17.4707 -17.4696 -5.4635 -5.4622 -4.9554 -4.9550 -3.9205 -3.9169 -3.5329 -3.5277 0.4440 0.4578 0.9705 0.9881 1.2855 1.2901 1.4945 1.5271 2.0709 2.0981 2.3975 2.6400 2.6810 2.8588 3.0130 3.1582 3.2906 3.4498 4.0336 4.0909 7.8624 7.8656 8.1445 8.1534 12.0871 12.2270 12.7478 12.8814 k = 0.2381-0.0502-0.2892 ( 2439 PWs) bands (ev): -23.6087 -23.6086 -17.5129 -17.5119 -17.4715 -17.4704 -5.4400 -5.4388 -4.9656 -4.9652 -3.9355 -3.9319 -3.5276 -3.5222 0.4257 0.4393 0.9584 0.9778 1.2927 1.2963 1.5110 1.5413 2.0545 2.0966 2.4021 2.6393 2.6813 2.8653 3.0100 3.1518 3.2859 3.4458 4.0344 4.0943 7.9350 7.9402 8.1406 8.1514 12.0251 12.1628 12.7267 12.8629 k = 0.2463-0.0519-0.2992 ( 2433 PWs) bands (ev): -23.6076 -23.6075 -17.5147 -17.5137 -17.4723 -17.4712 -5.4175 -5.4163 -4.9758 -4.9754 -3.9502 -3.9466 -3.5227 -3.5171 0.4098 0.4231 0.9462 0.9675 1.3004 1.3031 1.5277 1.5554 2.0393 2.0965 2.4071 2.6382 2.6815 2.8723 3.0092 3.1454 3.2804 3.4412 4.0340 4.0966 8.0024 8.0108 8.1381 8.1521 11.9656 12.1012 12.7061 12.8448 k = 0.2545-0.0537-0.3092 ( 2433 PWs) bands (ev): -23.6065 -23.6064 -17.5164 -17.5154 -17.4732 -17.4720 -5.3961 -5.3949 -4.9860 -4.9856 -3.9646 -3.9610 -3.5182 -3.5125 0.3961 0.4094 0.9338 0.9573 1.3085 1.3102 1.5446 1.5692 2.0253 2.0976 2.4123 2.6368 2.6816 2.8798 3.0105 3.1389 3.2742 3.4358 4.0323 4.0977 8.0570 8.0699 8.1442 8.1626 11.9089 12.0424 12.6864 12.8274 k = 0.2628-0.0554-0.3192 ( 2433 PWs) bands (ev): -23.6055 -23.6054 -17.5180 -17.5169 -17.4741 -17.4728 -5.3759 -5.3747 -4.9961 -4.9957 -3.9785 -3.9748 -3.5142 -3.5083 0.3849 0.3981 0.9214 0.9471 1.3171 1.3178 1.5616 1.5826 2.0126 2.1000 2.4177 2.6352 2.6814 2.8877 3.0139 3.1325 3.2672 3.4297 4.0294 4.0978 8.0850 8.0947 8.1815 8.1965 11.8552 11.9867 12.6677 12.8108 k = 0.2710-0.0571-0.3291 ( 2435 PWs) bands (ev): -23.6044 -23.6043 -17.5194 -17.5183 -17.4750 -17.4737 -5.3571 -5.3559 -5.0061 -5.0058 -3.9917 -3.9880 -3.5106 -3.5046 0.3760 0.3891 0.9090 0.9370 1.3258 1.3261 1.5786 1.5957 2.0014 2.1035 2.4232 2.6333 2.6811 2.8959 3.0192 3.1263 3.2594 3.4230 4.0254 4.0968 8.0897 8.0943 8.2407 8.2498 11.8046 11.9343 12.6501 12.7952 k = 0.2792-0.0589-0.3391 ( 2435 PWs) bands (ev): -23.6034 -23.6033 -17.5207 -17.5196 -17.4759 -17.4746 -5.3397 -5.3386 -5.0160 -5.0157 -4.0041 -4.0005 -3.5075 -3.5014 0.3694 0.3825 0.8969 0.9271 1.3341 1.3355 1.5954 1.6084 1.9919 2.1083 2.4288 2.6310 2.6811 2.9045 3.0261 3.1203 3.2510 3.4156 4.0203 4.0949 8.0848 8.0880 8.3024 8.3085 11.7575 11.8853 12.6340 12.7808 k = 0.2874-0.0606-0.3491 ( 2435 PWs) bands (ev): -23.6024 -23.6023 -17.5218 -17.5207 -17.4768 -17.4755 -5.3240 -5.3229 -5.0257 -5.0254 -4.0157 -4.0121 -3.5050 -3.4987 0.3649 0.3781 0.8850 0.9174 1.3428 1.3453 1.6120 1.6205 1.9843 2.1142 2.4343 2.6281 2.6817 2.9131 3.0341 3.1150 3.2418 3.4078 4.0143 4.0921 8.0760 8.0796 8.3622 8.3667 11.7138 11.8398 12.6196 12.7679 k = 0.2956-0.0623-0.3591 ( 2435 PWs) bands (ev): -23.6015 -23.6014 -17.5229 -17.5217 -17.4778 -17.4764 -5.3100 -5.3089 -5.0351 -5.0348 -4.0262 -4.0226 -3.5029 -3.4966 0.3626 0.3759 0.8735 0.9079 1.3517 1.3553 1.6280 1.6321 1.9788 2.1214 2.4398 2.6245 2.6829 2.9217 3.0426 3.1107 3.2319 3.3994 4.0073 4.0884 8.0652 8.0696 8.4190 8.4227 11.6737 11.7978 12.6071 12.7567 k = 0.3038-0.0641-0.3690 ( 2427 PWs) bands (ev): -23.6005 -23.6005 -17.5237 -17.5226 -17.4787 -17.4774 -5.2978 -5.2967 -5.0443 -5.0440 -4.0357 -4.0321 -3.5014 -3.4950 0.3622 0.3757 0.8624 0.8989 1.3607 1.3656 1.6420 1.6445 1.9759 2.1298 2.4450 2.6202 2.6851 2.9301 3.0505 3.1082 3.2213 3.3907 3.9995 4.0841 8.0534 8.0584 8.4721 8.4754 11.6372 11.7594 12.5970 12.7475 k = 0.3120-0.0658-0.3790 ( 2423 PWs) bands (ev): -23.5997 -23.5996 -17.5244 -17.5233 -17.4797 -17.4783 -5.2874 -5.2863 -5.0532 -5.0529 -4.0440 -4.0404 -3.5004 -3.4939 0.3636 0.3773 0.8520 0.8903 1.3698 1.3759 1.6524 1.6589 1.9756 2.1395 2.4499 2.6155 2.6881 2.9381 3.0565 3.1087 3.2103 3.3818 3.9911 4.0791 8.0406 8.0462 8.5211 8.5245 11.6044 11.7245 12.5895 12.7406 k = 0.3202-0.0675-0.3890 ( 2419 PWs) bands (ev): -23.5988 -23.5987 -17.5250 -17.5239 -17.4807 -17.4793 -5.2790 -5.2779 -5.0616 -5.0613 -4.0510 -4.0475 -3.4999 -3.4935 0.3666 0.3807 0.8422 0.8823 1.3787 1.3860 1.6618 1.6729 1.9784 2.1505 2.4544 2.6104 2.6916 2.9454 3.0595 3.1128 3.1988 3.3728 3.9821 4.0735 8.0271 8.0331 8.5659 8.5694 11.5753 11.6931 12.5848 12.7361 k = 0.3284-0.0693-0.3990 ( 2421 PWs) bands (ev): -23.5980 -23.5979 -17.5255 -17.5243 -17.4817 -17.4803 -5.2725 -5.2714 -5.0696 -5.0693 -4.0568 -4.0533 -3.5000 -3.4935 0.3711 0.3855 0.8332 0.8749 1.3874 1.3959 1.6704 1.6861 1.9843 2.1627 2.4582 2.6053 2.6956 2.9518 3.0598 3.1196 3.1872 3.3638 3.9727 4.0675 8.0129 8.0193 8.6062 8.6099 11.5498 11.6650 12.5833 12.7343 k = 0.3367-0.0710-0.4089 ( 2423 PWs) bands (ev): -23.5972 -23.5971 -17.5258 -17.5246 -17.4828 -17.4813 -5.2679 -5.2667 -5.0771 -5.0768 -4.0613 -4.0578 -3.5005 -3.4941 0.3768 0.3916 0.8251 0.8682 1.3956 1.4051 1.6785 1.6987 1.9935 2.1760 2.4613 2.6005 2.6998 2.9571 3.0587 3.1270 3.1761 3.3552 3.9630 4.0610 7.9983 8.0050 8.6420 8.6460 11.5277 11.6401 12.5852 12.7354 k = 0.3449-0.0727-0.4189 ( 2423 PWs) bands (ev): -23.5965 -23.5964 -17.5260 -17.5248 -17.4838 -17.4823 -5.2652 -5.2640 -5.0841 -5.0838 -4.0645 -4.0610 -3.5016 -3.4953 0.3835 0.3987 0.8180 0.8625 1.4031 1.4134 1.6864 1.7107 2.0058 2.1905 2.4634 2.5963 2.7040 2.9610 3.0573 3.1322 3.1673 3.3472 3.9533 4.0544 7.9833 7.9902 8.6732 8.6775 11.5089 11.6180 12.5908 12.7397 k = 0.3531-0.0744-0.4289 ( 2437 PWs) bands (ev): -23.5958 -23.5957 -17.5261 -17.5249 -17.4848 -17.4833 -5.2642 -5.2629 -5.0906 -5.0903 -4.0664 -4.0630 -3.5031 -3.4969 0.3909 0.4066 0.8120 0.8576 1.4098 1.4205 1.6943 1.7225 2.0209 2.2057 2.4644 2.5929 2.7079 2.9633 3.0559 3.1309 3.1638 3.3400 3.9438 4.0475 7.9681 7.9751 8.7000 8.7044 11.4931 11.5986 12.6002 12.7472 k = 0.3613-0.0762-0.4388 ( 2436 PWs) bands (ev): -23.5952 -23.5951 -17.5261 -17.5248 -17.4859 -17.4844 -5.2647 -5.2634 -5.0966 -5.0963 -4.0672 -4.0638 -3.5050 -3.4989 0.3988 0.4150 0.8073 0.8539 1.4153 1.4260 1.7029 1.7344 2.0388 2.2217 2.4642 2.5907 2.7115 2.9640 3.0550 3.1231 3.1654 3.3341 3.9346 4.0407 7.9527 7.9598 8.7224 8.7270 11.4801 11.5815 12.6136 12.7580 k = 0.3695-0.0779-0.4488 ( 2438 PWs) bands (ev): -23.5945 -23.5944 -17.5260 -17.5247 -17.4869 -17.4854 -5.2666 -5.2653 -5.1021 -5.1018 -4.0669 -4.0636 -3.5073 -3.5014 0.4071 0.4236 0.8041 0.8512 1.4196 1.4298 1.7124 1.7466 2.0589 2.2381 2.4626 2.5898 2.7145 2.9632 3.0541 3.1128 3.1679 3.3293 3.9261 4.0338 7.9374 7.9445 8.7407 8.7454 11.4697 11.5666 12.6310 12.7723 k = 0.3777-0.0796-0.4588 ( 2442 PWs) bands (ev): -23.5940 -23.5939 -17.5257 -17.5245 -17.4879 -17.4864 -5.2697 -5.2684 -5.1072 -5.1068 -4.0656 -4.0623 -3.5100 -3.5042 0.4154 0.4321 0.8023 0.8498 1.4225 1.4316 1.7233 1.7595 2.0809 2.2545 2.4596 2.5902 2.7168 2.9611 3.0526 3.1025 3.1692 3.3256 3.9185 4.0271 7.9221 7.9292 8.7550 8.7597 11.4614 11.5534 12.6523 12.7900 k = 0.3859-0.0814-0.4688 ( 2444 PWs) bands (ev): -23.5934 -23.5933 -17.5254 -17.5242 -17.4890 -17.4875 -5.2738 -5.2725 -5.1118 -5.1114 -4.0634 -4.0602 -3.5129 -3.5074 0.4236 0.4403 0.8021 0.8495 1.4238 1.4314 1.7357 1.7730 2.1045 2.2705 2.4555 2.5918 2.7185 2.9578 3.0498 3.0935 3.1688 3.3228 3.9120 4.0206 7.9072 7.9141 8.7658 8.7705 11.4550 11.5416 12.6776 12.8110 k = 0.3941-0.0831-0.4787 ( 2444 PWs) bands (ev): -23.5929 -23.5929 -17.5250 -17.5238 -17.4900 -17.4885 -5.2786 -5.2773 -5.1161 -5.1157 -4.0604 -4.0574 -3.5161 -3.5108 0.4314 0.4480 0.8035 0.8505 1.4236 1.4292 1.7497 1.7875 2.1292 2.2859 2.4502 2.5943 2.7196 2.9536 3.0453 3.0866 3.1668 3.3201 3.9068 4.0144 7.8926 7.8994 8.7735 8.7780 11.4502 11.5312 12.7065 12.8352 k = 0.4023-0.0848-0.4887 ( 2440 PWs) bands (ev): -23.5925 -23.5924 -17.5246 -17.5233 -17.4910 -17.4895 -5.2839 -5.2827 -5.1200 -5.1196 -4.0569 -4.0540 -3.5195 -3.5144 0.4387 0.4550 0.8065 0.8526 1.4218 1.4254 1.7653 1.8027 2.1548 2.3001 2.4442 2.5974 2.7203 2.9486 3.0394 3.0816 3.1637 3.3170 3.9032 4.0086 7.8785 7.8851 8.7783 8.7826 11.4467 11.5218 12.7388 12.8622 k = 0.4106-0.0866-0.4987 ( 2434 PWs) bands (ev): -23.5920 -23.5920 -17.5240 -17.5228 -17.4919 -17.4905 -5.2895 -5.2883 -5.1236 -5.1233 -4.0529 -4.0501 -3.5229 -3.5182 0.4455 0.4612 0.8110 0.8558 1.4186 1.4203 1.7823 1.8187 2.1810 2.3127 2.4375 2.6003 2.7212 2.9427 3.0330 3.0778 3.1601 3.3129 3.9012 4.0030 7.8651 7.8713 8.7807 8.7848 11.4443 11.5132 12.7741 12.8917 k = 0.4188-0.0883-0.5087 ( 2434 PWs) bands (ev): -23.5917 -23.5916 -17.5235 -17.5222 -17.4929 -17.4915 -5.2952 -5.2941 -5.1269 -5.1266 -4.0486 -4.0460 -3.5265 -3.5220 0.4515 0.4664 0.8169 0.8598 1.4134 1.4148 1.8003 1.8351 2.2073 2.3235 2.4304 2.6022 2.7229 2.9358 3.0273 3.0745 3.1563 3.3074 3.9008 3.9978 7.8524 7.8583 8.7812 8.7850 11.4427 11.5054 12.8119 12.9232 k = 0.4270-0.0900-0.5186 ( 2428 PWs) bands (ev): -23.5913 -23.5912 -17.5229 -17.5217 -17.4938 -17.4925 -5.3008 -5.2999 -5.1300 -5.1297 -4.0441 -4.0417 -3.5299 -3.5258 0.4569 0.4708 0.8240 0.8646 1.4064 1.4093 1.8190 1.8518 2.2334 2.3322 2.4232 2.6021 2.7263 2.9280 3.0228 3.0711 3.1529 3.3002 3.9020 3.9928 7.8406 7.8461 8.7802 8.7837 11.4419 11.4982 12.8515 12.9561 k = 0.5730 0.3155-0.1774 ( 2428 PWs) bands (ev): -23.5913 -23.5912 -17.5229 -17.5217 -17.4938 -17.4925 -5.3008 -5.2999 -5.1300 -5.1297 -4.0441 -4.0417 -3.5299 -3.5258 0.4569 0.4708 0.8240 0.8646 1.4064 1.4093 1.8190 1.8518 2.2334 2.3322 2.4232 2.6021 2.7263 2.9280 3.0228 3.0711 3.1529 3.3002 3.9020 3.9928 7.8406 7.8461 8.7802 8.7837 11.4419 11.4982 12.8515 12.9561 k = 0.5649 0.3255-0.1774 ( 2428 PWs) bands (ev): -23.5910 -23.5909 -17.5222 -17.5211 -17.4947 -17.4934 -5.3062 -5.3054 -5.1327 -5.1324 -4.0397 -4.0375 -3.5332 -3.5295 0.4615 0.4742 0.8320 0.8697 1.3990 1.4033 1.8378 1.8683 2.2586 2.3388 2.4165 2.5993 2.7320 2.9194 3.0198 3.0675 3.1502 3.2912 3.9045 3.9881 7.8299 7.8350 8.7780 8.7812 11.4417 11.4916 12.8919 12.9891 k = 0.5568 0.3355-0.1774 ( 2424 PWs) bands (ev): -23.5907 -23.5907 -17.5216 -17.5206 -17.4955 -17.4943 -5.3113 -5.3105 -5.1351 -5.1348 -4.0354 -4.0334 -3.5363 -3.5330 0.4654 0.4768 0.8405 0.8749 1.3915 1.3969 1.8565 1.8842 2.2824 2.3435 2.4107 2.5932 2.7401 2.9103 3.0183 3.0638 3.1485 3.2806 3.9083 3.9836 7.8203 7.8248 8.7752 8.7780 11.4419 11.4854 12.9326 13.0220 k = 0.5487 0.3455-0.1774 ( 2424 PWs) bands (ev): -23.5905 -23.5905 -17.5210 -17.5200 -17.4962 -17.4951 -5.3159 -5.3152 -5.1372 -5.1370 -4.0313 -4.0295 -3.5392 -3.5362 0.4688 0.4786 0.8492 0.8799 1.3844 1.3903 1.8745 1.8992 2.3039 2.3467 2.4068 2.5840 2.7505 2.9005 3.0182 3.0599 3.1481 3.2685 3.9130 3.9791 7.8118 7.8158 8.7720 8.7744 11.4425 11.4797 12.9729 13.0535 k = 0.5406 0.3555-0.1774 ( 2424 PWs) bands (ev): -23.5903 -23.5903 -17.5204 -17.5196 -17.4968 -17.4958 -5.3199 -5.3193 -5.1391 -5.1389 -4.0276 -4.0261 -3.5417 -3.5392 0.4716 0.4799 0.8579 0.8843 1.3779 1.3838 1.8915 1.9128 2.3210 2.3487 2.4068 2.5719 2.7627 2.8902 3.0191 3.0559 3.1494 3.2553 3.9185 3.9746 7.8045 7.8079 8.7688 8.7708 11.4436 11.4744 13.0117 13.0824 k = 0.5325 0.3656-0.1774 ( 2422 PWs) bands (ev): -23.5901 -23.5901 -17.5199 -17.5192 -17.4973 -17.4965 -5.3233 -5.3229 -5.1406 -5.1404 -4.0244 -4.0232 -3.5438 -3.5418 0.4740 0.4806 0.8662 0.8879 1.3723 1.3778 1.9068 1.9244 2.3318 2.3497 2.4132 2.5574 2.7760 2.8795 3.0211 3.0518 3.1525 3.2412 3.9244 3.9700 7.7986 7.8013 8.7657 8.7674 11.4450 11.4696 13.0479 13.1074 k = 0.5243 0.3756-0.1774 ( 2418 PWs) bands (ev): -23.5900 -23.5900 -17.5194 -17.5188 -17.4977 -17.4971 -5.3260 -5.3257 -5.1417 -5.1416 -4.0218 -4.0208 -3.5455 -3.5439 0.4759 0.4810 0.8737 0.8904 1.3679 1.3725 1.9201 1.9336 2.3369 2.3493 2.4263 2.5410 2.7899 2.8683 3.0239 3.0477 3.1578 3.2268 3.9306 3.9652 7.7939 7.7960 8.7632 8.7645 11.4467 11.4651 13.0801 13.1269 k = 0.5162 0.3856-0.1774 ( 2424 PWs) bands (ev): -23.5899 -23.5899 -17.5190 -17.5186 -17.4980 -17.4976 -5.3280 -5.3277 -5.1426 -5.1425 -4.0198 -4.0191 -3.5466 -3.5456 0.4775 0.4809 0.8802 0.8915 1.3649 1.3682 1.9307 1.9399 2.3392 2.3473 2.4440 2.5229 2.8039 2.8565 3.0271 3.0434 3.1652 3.2124 3.9368 3.9600 7.7907 7.7921 8.7613 8.7622 11.4489 11.4611 13.1071 13.1396 k = 0.5081 0.3956-0.1774 ( 2426 PWs) bands (ev): -23.5899 -23.5899 -17.5188 -17.5185 -17.4981 -17.4979 -5.3291 -5.3290 -5.1431 -5.1430 -4.0185 -4.0182 -3.5472 -3.5467 0.4788 0.4805 0.8854 0.8911 1.3635 1.3652 1.9382 1.9429 2.3408 2.3449 2.4636 2.5038 2.8177 2.8441 3.0309 3.0391 3.1746 3.1987 3.9430 3.9546 7.7889 7.7896 8.7602 8.7606 11.4513 11.4574 13.1275 13.1441 k = 0.5000 0.4056-0.1774 ( 2426 PWs) bands (ev): -23.5899 -23.5899 -17.5186 -17.5186 -17.4981 -17.4981 -5.3295 -5.3295 -5.1432 -5.1432 -4.0180 -4.0180 -3.5472 -3.5472 0.4798 0.4798 0.8890 0.8890 1.3636 1.3636 1.9423 1.9423 2.3426 2.3426 2.4838 2.4838 2.8312 2.8312 3.0349 3.0349 3.1860 3.1860 3.9489 3.9489 7.7885 7.7885 8.7600 8.7600 11.4542 11.4542 13.1401 13.1401 k = 0.5000 0.4056-0.1774 ( 2426 PWs) bands (ev): -23.5899 -23.5899 -17.5186 -17.5186 -17.4981 -17.4981 -5.3295 -5.3295 -5.1432 -5.1432 -4.0180 -4.0180 -3.5472 -3.5472 0.4798 0.4798 0.8890 0.8890 1.3636 1.3636 1.9423 1.9423 2.3426 2.3426 2.4838 2.4838 2.8312 2.8312 3.0349 3.0349 3.1860 3.1860 3.9489 3.9489 7.7885 7.7885 8.7600 8.7600 11.4542 11.4542 13.1401 13.1401 k = 0.5027 0.4078-0.1648 ( 2421 PWs) bands (ev): -23.5898 -23.5898 -17.5186 -17.5186 -17.4981 -17.4981 -5.3300 -5.3300 -5.1433 -5.1432 -4.0176 -4.0176 -3.5474 -3.5474 0.4791 0.4802 0.8885 0.8891 1.3644 1.3654 1.9403 1.9438 2.3404 2.3457 2.4831 2.4850 2.8284 2.8342 3.0331 3.0370 3.1848 3.1878 3.9488 3.9491 7.7851 7.7857 8.7619 8.7623 11.4531 11.4571 13.1404 13.1408 k = 0.5054 0.4100-0.1521 ( 2423 PWs) bands (ev): -23.5898 -23.5898 -17.5185 -17.5185 -17.4982 -17.4982 -5.3317 -5.3317 -5.1435 -5.1434 -4.0166 -4.0164 -3.5481 -3.5481 0.4782 0.4805 0.8877 0.8888 1.3680 1.3699 1.9379 1.9448 2.3388 2.3493 2.4829 2.4866 2.8258 2.8374 3.0314 3.0393 3.1843 3.1902 3.9487 3.9492 7.7756 7.7768 8.7679 8.7688 11.4537 11.4616 13.1418 13.1425 k = 0.5081 0.4121-0.1395 ( 2423 PWs) bands (ev): -23.5897 -23.5896 -17.5184 -17.5184 -17.4984 -17.4984 -5.3344 -5.3343 -5.1438 -5.1437 -4.0148 -4.0146 -3.5491 -3.5491 0.4771 0.4806 0.8864 0.8881 1.3742 1.3771 1.9351 1.9453 2.3379 2.3538 2.4833 2.4885 2.8233 2.8409 3.0298 3.0419 3.1845 3.1932 3.9486 3.9494 7.7602 7.7620 8.7778 8.7792 11.4560 11.4679 13.1441 13.1452 k = 0.5108 0.4143-0.1269 ( 2419 PWs) bands (ev): -23.5895 -23.5895 -17.5183 -17.5183 -17.4987 -17.4987 -5.3381 -5.3380 -5.1443 -5.1441 -4.0124 -4.0120 -3.5506 -3.5506 0.4760 0.4805 0.8848 0.8871 1.3829 1.3868 1.9319 1.9453 2.3377 2.3589 2.4842 2.4908 2.8212 2.8446 3.0284 3.0447 3.1855 3.1968 3.9485 3.9495 7.7394 7.7418 8.7912 8.7930 11.4600 11.4758 13.1475 13.1489 k = 0.5135 0.4165-0.1142 ( 2417 PWs) bands (ev): -23.5893 -23.5893 -17.5182 -17.5182 -17.4990 -17.4990 -5.3427 -5.3426 -5.1450 -5.1448 -4.0092 -4.0088 -3.5525 -3.5525 0.4748 0.4805 0.8828 0.8856 1.3939 1.3988 1.9284 1.9448 2.3380 2.3647 2.4858 2.4934 2.8193 2.8485 3.0272 3.0478 3.1872 3.2008 3.9484 3.9496 7.7138 7.7167 8.8074 8.8097 11.4655 11.4853 13.1518 13.1535 k = 0.5162 0.4187-0.1016 ( 2415 PWs) bands (ev): -23.5891 -23.5891 -17.5180 -17.5180 -17.4994 -17.4994 -5.3481 -5.3479 -5.1461 -5.1458 -4.0054 -4.0049 -3.5547 -3.5547 0.4738 0.4805 0.8804 0.8838 1.4072 1.4131 1.9246 1.9438 2.3390 2.3712 2.4881 2.4961 2.8176 2.8526 3.0261 3.0512 3.1896 3.2054 3.9483 3.9497 7.6839 7.6874 8.8260 8.8288 11.4726 11.4964 13.1570 13.1591 k = 0.5189 0.4209-0.0889 ( 2421 PWs) bands (ev): -23.5888 -23.5888 -17.5178 -17.5178 -17.4998 -17.4998 -5.3542 -5.3541 -5.1475 -5.1471 -4.0009 -4.0003 -3.5574 -3.5574 0.4731 0.4808 0.8777 0.8817 1.4223 1.4293 1.9206 1.9422 2.3405 2.3782 2.4910 2.4991 2.8162 2.8570 3.0251 3.0548 3.1928 3.2103 3.9481 3.9498 7.6504 7.6543 8.8464 8.8497 11.4810 11.5088 13.1630 13.1655 k = 0.5216 0.4231-0.0763 ( 2423 PWs) bands (ev): -23.5886 -23.5885 -17.5176 -17.5176 -17.5003 -17.5003 -5.3610 -5.3608 -5.1493 -5.1489 -3.9958 -3.9951 -3.5604 -3.5604 0.4726 0.4814 0.8747 0.8792 1.4392 1.4473 1.9163 1.9402 2.3425 2.3859 2.4946 2.5022 2.8152 2.8617 3.0242 3.0586 3.1966 3.2156 3.9479 3.9498 7.6137 7.6180 8.8681 8.8719 11.4907 11.5225 13.1699 13.1728 k = 0.5243 0.4253-0.0637 ( 2419 PWs) bands (ev): -23.5882 -23.5882 -17.5173 -17.5173 -17.5009 -17.5009 -5.3683 -5.3681 -5.1516 -5.1511 -3.9901 -3.9894 -3.5638 -3.5638 0.4727 0.4824 0.8714 0.8764 1.4577 1.4669 1.9119 1.9377 2.3450 2.3942 2.4990 2.5054 2.8146 2.8667 3.0236 3.0628 3.2011 3.2213 3.9477 3.9498 7.5744 7.5791 8.8907 8.8950 11.5016 11.5373 13.1776 13.1808 k = 0.5270 0.4275-0.0510 ( 2421 PWs) bands (ev): -23.5879 -23.5878 -17.5170 -17.5170 -17.5015 -17.5015 -5.3761 -5.3758 -5.1543 -5.1539 -3.9838 -3.9830 -3.5675 -3.5675 0.4734 0.4839 0.8678 0.8734 1.4774 1.4876 1.9074 1.9348 2.3479 2.4030 2.5041 2.5087 2.8144 2.8721 3.0231 3.0672 3.2063 3.2273 3.9474 3.9498 7.5329 7.5379 8.9136 8.9184 11.5135 11.5531 13.1859 13.1896 k = 0.5298 0.4297-0.0384 ( 2426 PWs) bands (ev): -23.5875 -23.5875 -17.5167 -17.5167 -17.5021 -17.5021 -5.3843 -5.3840 -5.1576 -5.1571 -3.9770 -3.9761 -3.5715 -3.5715 0.4747 0.4862 0.8640 0.8701 1.4980 1.5093 1.9027 1.9315 2.3511 2.4123 2.5098 2.5120 2.8147 2.8778 3.0228 3.0719 3.2120 3.2336 3.9470 3.9496 7.4896 7.4950 8.9367 8.9420 11.5262 11.5698 13.1948 13.1990 k = 0.5325 0.4319-0.0257 ( 2425 PWs) bands (ev): -23.5871 -23.5871 -17.5164 -17.5164 -17.5028 -17.5028 -5.3927 -5.3924 -5.1615 -5.1609 -3.9697 -3.9687 -3.5758 -3.5758 0.4768 0.4892 0.8599 0.8666 1.5195 1.5318 1.8980 1.9278 2.3549 2.4220 2.5154 2.5162 2.8155 2.8840 3.0228 3.0768 3.2183 3.2401 3.9466 3.9494 7.4449 7.4505 8.9595 8.9652 11.5396 11.5871 13.2042 13.2089 k = 0.5352 0.4341-0.0131 ( 2423 PWs) bands (ev): -23.5867 -23.5866 -17.5161 -17.5161 -17.5035 -17.5035 -5.4014 -5.4010 -5.1659 -5.1652 -3.9620 -3.9609 -3.5804 -3.5803 0.4798 0.4929 0.8557 0.8628 1.5415 1.5547 1.8933 1.9239 2.3590 2.4321 2.5188 2.5232 2.8170 2.8906 3.0231 3.0819 3.2252 3.2469 3.9461 3.9490 7.3991 7.4050 8.9819 8.9880 11.5535 11.6048 13.2140 13.2193 k = 0.5379 0.4363-0.0005 ( 2421 PWs) bands (ev): -23.5862 -23.5862 -17.5157 -17.5157 -17.5042 -17.5042 -5.4103 -5.4099 -5.1708 -5.1700 -3.9538 -3.9526 -3.5852 -3.5852 0.4837 0.4976 0.8513 0.8589 1.5638 1.5778 1.8886 1.9197 2.3635 2.4424 2.5221 2.5308 2.8192 2.8977 3.0238 3.0872 3.2325 3.2538 3.9454 3.9486 7.3525 7.3585 9.0035 9.0101 11.5676 11.6228 13.2241 13.2300 k = 0.5406 0.4385 0.0122 ( 2425 PWs) bands (ev): -23.5858 -23.5857 -17.5153 -17.5153 -17.5050 -17.5050 -5.4193 -5.4189 -5.1761 -5.1754 -3.9452 -3.9440 -3.5902 -3.5902 0.4885 0.5032 0.8467 0.8548 1.5862 1.6008 1.8839 1.9152 2.3683 2.4529 2.5254 2.5388 2.8220 2.9052 3.0248 3.0927 3.2401 3.2609 3.9446 3.9480 7.3052 7.3115 9.0243 9.0313 11.5818 11.6407 13.2342 13.2408 k = 0.5433 0.4407 0.0248 ( 2425 PWs) bands (ev): -23.5853 -23.5853 -17.5149 -17.5149 -17.5057 -17.5057 -5.4285 -5.4280 -5.1819 -5.1811 -3.9363 -3.9351 -3.5954 -3.5954 0.4944 0.5097 0.8421 0.8507 1.6085 1.6234 1.8793 1.9106 2.3736 2.4636 2.5288 2.5472 2.8256 2.9133 3.0263 3.0984 3.2481 3.2681 3.9437 3.9472 7.2577 7.2641 9.0441 9.0514 11.5959 11.6585 13.2441 13.2517 k = 0.5460 0.4429 0.0374 ( 2419 PWs) bands (ev): -23.5849 -23.5848 -17.5145 -17.5145 -17.5065 -17.5065 -5.4377 -5.4372 -5.1881 -5.1872 -3.9271 -3.9258 -3.6008 -3.6008 0.5012 0.5172 0.8374 0.8464 1.6304 1.6455 1.8747 1.9059 2.3794 2.4742 2.5321 2.5560 2.8300 2.9219 3.0283 3.1044 3.2565 3.2754 3.9426 3.9463 7.2100 7.2165 9.0627 9.0703 11.6097 11.6758 13.2536 13.2623 k = 0.5487 0.4451 0.0501 ( 2417 PWs) bands (ev): -23.5844 -23.5844 -17.5141 -17.5141 -17.5072 -17.5072 -5.4471 -5.4465 -5.1946 -5.1937 -3.9177 -3.9163 -3.6063 -3.6063 0.5090 0.5256 0.8327 0.8421 1.6518 1.6667 1.8703 1.9011 2.3856 2.4846 2.5355 2.5651 2.8352 2.9311 3.0308 3.1105 3.2651 3.2827 3.9413 3.9451 7.1622 7.1689 9.0800 9.0878 11.6229 11.6924 13.2622 13.2724 k = 0.5514 0.4472 0.0627 ( 2419 PWs) bands (ev): -23.5839 -23.5839 -17.5137 -17.5137 -17.5079 -17.5079 -5.4565 -5.4559 -5.2013 -5.2003 -3.9081 -3.9067 -3.6119 -3.6119 0.5177 0.5349 0.8279 0.8378 1.6725 1.6869 1.8660 1.8962 2.3922 2.4946 2.5390 2.5742 2.8413 2.9407 3.0339 3.1169 3.2739 3.2900 3.9398 3.9438 7.1147 7.1214 9.0959 9.1039 11.6354 11.7081 13.2694 13.2816 k = 0.5541 0.4494 0.0754 ( 2418 PWs) bands (ev): -23.5835 -23.5834 -17.5133 -17.5133 -17.5086 -17.5086 -5.4660 -5.4654 -5.2081 -5.2071 -3.8983 -3.8968 -3.6176 -3.6176 0.5274 0.5451 0.8233 0.8335 1.6922 1.7059 1.8620 1.8914 2.3994 2.5041 2.5427 2.5834 2.8482 2.9508 3.0378 3.1234 3.2828 3.2973 3.9381 3.9422 7.0676 7.0742 9.1104 9.1185 11.6470 11.7227 13.2744 13.2893 k = 0.5568 0.4516 0.0880 ( 2414 PWs) bands (ev): -23.5831 -23.5830 -17.5130 -17.5129 -17.5092 -17.5092 -5.4757 -5.4750 -5.2149 -5.2139 -3.8884 -3.8869 -3.6234 -3.6234 0.5379 0.5561 0.8186 0.8292 1.7110 1.7234 1.8581 1.8867 2.4070 2.5127 2.5469 2.5927 2.8560 2.9612 3.0425 3.1302 3.2919 3.3045 3.9362 3.9405 7.0209 7.0276 9.1233 9.1315 11.6576 11.7359 13.2760 13.2945 k = 0.5595 0.4538 0.1006 ( 2411 PWs) bands (ev): -23.5826 -23.5826 -17.5127 -17.5127 -17.5097 -17.5096 -5.4854 -5.4848 -5.2217 -5.2207 -3.8784 -3.8769 -3.6292 -3.6291 0.5492 0.5679 0.8141 0.8250 1.7285 1.7394 1.8546 1.8820 2.4151 2.5201 2.5518 2.6019 2.8646 2.9717 3.0482 3.1373 3.3010 3.3116 3.9341 3.9384 6.9748 6.9815 9.1346 9.1428 11.6670 11.7476 13.2725 13.2959 k = 0.5622 0.4560 0.1133 ( 2411 PWs) bands (ev): -23.5822 -23.5822 -17.5125 -17.5125 -17.5100 -17.5099 -5.4954 -5.4947 -5.2283 -5.2272 -3.8684 -3.8669 -3.6349 -3.6349 0.5613 0.5803 0.8097 0.8209 1.7447 1.7536 1.8515 1.8776 2.4236 2.5262 2.5574 2.6109 2.8740 2.9822 3.0552 3.1447 3.3101 3.3185 3.9317 3.9361 6.9295 6.9361 9.1443 9.1524 11.6751 11.7576 13.2626 13.2916 k = 0.5649 0.4582 0.1259 ( 2409 PWs) bands (ev): -23.5819 -23.5818 -17.5126 -17.5126 -17.5100 -17.5100 -5.5055 -5.5049 -5.2345 -5.2334 -3.8585 -3.8569 -3.6406 -3.6406 0.5740 0.5933 0.8054 0.8170 1.7592 1.7661 1.8489 1.8735 2.4325 2.5309 2.5636 2.6198 2.8839 2.9922 3.0636 3.1523 3.3193 3.3252 3.9291 3.9336 6.8850 6.8915 9.1523 9.1602 11.6819 11.7658 13.2460 13.2802 k = 0.5676 0.4604 0.1385 ( 2412 PWs) bands (ev): -23.5815 -23.5815 -17.5128 -17.5128 -17.5098 -17.5098 -5.5159 -5.5153 -5.2403 -5.2392 -3.8486 -3.8470 -3.6463 -3.6462 0.5873 0.6068 0.8013 0.8133 1.7720 1.7767 1.8470 1.8696 2.4416 2.5346 2.5702 2.6286 2.8944 3.0016 3.0735 3.1602 3.3283 3.3317 3.9262 3.9307 6.8415 6.8480 9.1585 9.1663 11.6874 11.7721 13.2245 13.2622 k = 0.5703 0.4626 0.1512 ( 2416 PWs) bands (ev): -23.5812 -23.5812 -17.5131 -17.5131 -17.5095 -17.5095 -5.5266 -5.5260 -5.2456 -5.2445 -3.8388 -3.8372 -3.6518 -3.6518 0.6010 0.6206 0.7975 0.8097 1.7827 1.7854 1.8460 1.8662 2.4509 2.5373 2.5768 2.6371 2.9053 3.0102 3.0852 3.1685 3.3372 3.3379 3.9230 3.9276 6.7991 6.8054 9.1630 9.1705 11.6917 11.7765 13.2010 13.2403 k = 0.5730 0.4648 0.1638 ( 2410 PWs) bands (ev): -23.5809 -23.5809 -17.5134 -17.5134 -17.5091 -17.5091 -5.5375 -5.5369 -5.2502 -5.2492 -3.8291 -3.8275 -3.6573 -3.6572 0.6151 0.6347 0.7939 0.8064 1.7911 1.7923 1.8463 1.8633 2.4603 2.5396 2.5834 2.6455 2.9165 3.0179 3.0985 3.1772 3.3439 3.3461 3.9196 3.9242 6.7580 6.7641 9.1658 9.1730 11.6949 11.7791 13.1781 13.2175 k = 0.5730 0.4648 0.1638 ( 2410 PWs) bands (ev): -23.5809 -23.5809 -17.5134 -17.5134 -17.5091 -17.5091 -5.5375 -5.5369 -5.2502 -5.2492 -3.8291 -3.8275 -3.6573 -3.6572 0.6151 0.6347 0.7939 0.8064 1.7911 1.7923 1.8463 1.8633 2.4603 2.5396 2.5834 2.6455 2.9165 3.0179 3.0985 3.1772 3.3439 3.3461 3.9196 3.9242 6.7580 6.7641 9.1658 9.1730 11.6949 11.7791 13.1781 13.2175 k = 0.5685 0.4611 0.1749 ( 2409 PWs) bands (ev): -23.5806 -23.5805 -17.5133 -17.5132 -17.5092 -17.5092 -5.5514 -5.5508 -5.2566 -5.2556 -3.8173 -3.8158 -3.6638 -3.6637 0.6320 0.6523 0.7924 0.8043 1.7946 1.7967 1.8497 1.8655 2.4743 2.5427 2.5985 2.6521 2.9327 3.0302 3.1169 3.1935 3.3483 3.3507 3.9134 3.9176 6.7055 6.7112 9.1677 9.1744 11.6920 11.7746 13.1760 13.2157 k = 0.5639 0.4574 0.1860 ( 2406 PWs) bands (ev): -23.5802 -23.5802 -17.5131 -17.5130 -17.5093 -17.5093 -5.5648 -5.5643 -5.2628 -5.2618 -3.8058 -3.8044 -3.6701 -3.6700 0.6485 0.6692 0.7911 0.8024 1.7965 1.8016 1.8529 1.8673 2.4876 2.5452 2.6131 2.6583 2.9490 3.0408 3.1374 3.2103 3.3528 3.3553 3.9072 3.9109 6.6550 6.6604 9.1673 9.1734 11.6905 11.7706 13.1739 13.2135 k = 0.5593 0.4537 0.1971 ( 2406 PWs) bands (ev): -23.5799 -23.5799 -17.5129 -17.5129 -17.5093 -17.5093 -5.5777 -5.5771 -5.2687 -5.2677 -3.7948 -3.7935 -3.6762 -3.6761 0.6646 0.6855 0.7901 0.8008 1.7982 1.8057 1.8559 1.8689 2.5001 2.5473 2.6269 2.6641 2.9650 3.0502 3.1591 3.2271 3.3573 3.3600 3.9011 3.9044 6.6069 6.6118 9.1649 9.1705 11.6902 11.7673 13.1719 13.2108 k = 0.5548 0.4500 0.2082 ( 2406 PWs) bands (ev): -23.5796 -23.5796 -17.5127 -17.5127 -17.5093 -17.5093 -5.5899 -5.5894 -5.2742 -5.2733 -3.7843 -3.7831 -3.6819 -3.6818 0.6800 0.7008 0.7892 0.7992 1.7998 1.8093 1.8588 1.8701 2.5116 2.5493 2.6397 2.6697 2.9806 3.0585 3.1814 3.2438 3.3619 3.3648 3.8951 3.8981 6.5612 6.5658 9.1608 9.1658 11.6912 11.7646 13.1697 13.2075 k = 0.5502 0.4463 0.2193 ( 2406 PWs) bands (ev): -23.5794 -23.5793 -17.5125 -17.5125 -17.5093 -17.5093 -5.6014 -5.6009 -5.2793 -5.2785 -3.7745 -3.7733 -3.6873 -3.6873 0.6948 0.7151 0.7886 0.7979 1.8014 1.8122 1.8616 1.8712 2.5219 2.5511 2.6514 2.6749 2.9958 3.0662 3.2035 3.2601 3.3665 3.3696 3.8892 3.8919 6.5183 6.5224 9.1554 9.1598 11.6933 11.7626 13.1673 13.2036 k = 0.5456 0.4426 0.2303 ( 2406 PWs) bands (ev): -23.5791 -23.5791 -17.5124 -17.5123 -17.5093 -17.5093 -5.6121 -5.6116 -5.2841 -5.2834 -3.7652 -3.7642 -3.6924 -3.6923 0.7087 0.7283 0.7882 0.7966 1.8031 1.8147 1.8641 1.8720 2.5312 2.5529 2.6618 2.6797 3.0102 3.0732 3.2251 3.2757 3.3714 3.3746 3.8836 3.8859 6.4783 6.4819 9.1490 9.1528 11.6964 11.7611 13.1647 13.1990 k = 0.5411 0.4389 0.2414 ( 2398 PWs) bands (ev): -23.5789 -23.5789 -17.5122 -17.5122 -17.5093 -17.5093 -5.6220 -5.6215 -5.2885 -5.2878 -3.7567 -3.7557 -3.6971 -3.6970 0.7216 0.7403 0.7879 0.7955 1.8049 1.8167 1.8665 1.8728 2.5393 2.5548 2.6711 2.6843 3.0240 3.0796 3.2456 3.2903 3.3765 3.3797 3.8782 3.8803 6.4414 6.4446 9.1419 9.1451 11.7004 11.7600 13.1620 13.1940 k = 0.5365 0.4352 0.2525 ( 2403 PWs) bands (ev): -23.5787 -23.5787 -17.5121 -17.5120 -17.5092 -17.5092 -5.6309 -5.6305 -5.2925 -5.2919 -3.7489 -3.7481 -3.7014 -3.7013 0.7336 0.7509 0.7877 0.7944 1.8067 1.8183 1.8686 1.8734 2.5462 2.5565 2.6791 2.6885 3.0368 3.0853 3.2645 3.3033 3.3819 3.3848 3.8731 3.8749 6.4078 6.4106 9.1345 9.1372 11.7051 11.7592 13.1593 13.1885 k = 0.5319 0.4315 0.2636 ( 2401 PWs) bands (ev): -23.5786 -23.5785 -17.5119 -17.5119 -17.5092 -17.5092 -5.6389 -5.6386 -5.2960 -5.2955 -3.7420 -3.7412 -3.7052 -3.7051 0.7445 0.7602 0.7877 0.7935 1.8086 1.8196 1.8705 1.8739 2.5520 2.5582 2.6860 2.6923 3.0487 3.0904 3.2816 3.3147 3.3876 3.3902 3.8684 3.8700 6.3776 6.3801 9.1271 9.1294 11.7103 11.7585 13.1567 13.1829 k = 0.5274 0.4278 0.2747 ( 2397 PWs) bands (ev): -23.5784 -23.5784 -17.5118 -17.5118 -17.5091 -17.5091 -5.6459 -5.6457 -5.2991 -5.2987 -3.7359 -3.7353 -3.7085 -3.7084 0.7544 0.7681 0.7878 0.7926 1.8105 1.8205 1.8721 1.8744 2.5567 2.5599 2.6918 2.6958 3.0595 3.0947 3.2966 3.3241 3.3935 3.3955 3.8642 3.8656 6.3512 6.3533 9.1201 9.1219 11.7158 11.7578 13.1544 13.1773 k = 0.5228 0.4241 0.2858 ( 2401 PWs) bands (ev): -23.5783 -23.5783 -17.5118 -17.5118 -17.5091 -17.5091 -5.6519 -5.6517 -5.3018 -5.3014 -3.7307 -3.7302 -3.7114 -3.7113 0.7629 0.7745 0.7881 0.7918 1.8124 1.8211 1.8734 1.8748 2.5604 2.5615 2.6964 2.6988 3.0691 3.0980 3.3094 3.3315 3.3993 3.4007 3.8605 3.8617 6.3285 6.3302 9.1136 9.1151 11.7215 11.7569 13.1524 13.1718 k = 0.5183 0.4204 0.2969 ( 2393 PWs) bands (ev): -23.5782 -23.5782 -17.5117 -17.5117 -17.5090 -17.5090 -5.6569 -5.6567 -5.3039 -5.3036 -3.7264 -3.7261 -3.7136 -3.7135 0.7704 0.7795 0.7885 0.7911 1.8142 1.8214 1.8744 1.8752 2.5631 2.5632 2.7002 2.7013 3.0777 3.1005 3.3199 3.3370 3.4048 3.4056 3.8574 3.8583 6.3098 6.3112 9.1080 9.1091 11.7270 11.7557 13.1510 13.1667 k = 0.5137 0.4167 0.3080 ( 2391 PWs) bands (ev): -23.5781 -23.5781 -17.5116 -17.5116 -17.5090 -17.5090 -5.6608 -5.6606 -5.3056 -5.3054 -3.7232 -3.7230 -3.7153 -3.7152 0.7765 0.7830 0.7889 0.7903 1.8159 1.8214 1.8752 1.8755 2.5645 2.5651 2.7029 2.7034 3.0849 3.1019 3.3283 3.3406 3.4095 3.4099 3.8549 3.8556 6.2952 6.2962 9.1035 9.1043 11.7324 11.7541 13.1502 13.1621 k = 0.5091 0.4130 0.3191 ( 2387 PWs) bands (ev): -23.5781 -23.5781 -17.5116 -17.5116 -17.5090 -17.5090 -5.6635 -5.6634 -5.3068 -5.3066 -3.7212 -3.7211 -3.7162 -3.7160 0.7814 0.7853 0.7892 0.7896 1.8174 1.8212 1.8757 1.8758 2.5656 2.5664 2.7048 2.7049 3.0909 3.1022 3.3346 3.3426 3.4131 3.4132 3.8531 3.8536 6.2847 6.2854 9.1001 9.1006 11.7374 11.7519 13.1501 13.1581 k = 0.5046 0.4093 0.3301 ( 2383 PWs) bands (ev): -23.5780 -23.5780 -17.5116 -17.5116 -17.5089 -17.5089 -5.6652 -5.6651 -5.3075 -5.3074 -3.7203 -3.7203 -3.7163 -3.7162 0.7850 0.7867 0.7890 0.7890 1.8188 1.8206 1.8760 1.8760 2.5665 2.5669 2.7059 2.7059 3.0956 3.1013 3.3391 3.3431 3.4154 3.4154 3.8521 3.8524 6.2785 6.2788 9.0981 9.0984 11.7419 11.7492 13.1509 13.1549 k = 0.5000 0.4056 0.3412 ( 2376 PWs) bands (ev): -23.5780 -23.5780 -17.5116 -17.5116 -17.5089 -17.5089 -5.6657 -5.6657 -5.3077 -5.3077 -3.7202 -3.7202 -3.7162 -3.7162 0.7870 0.7870 0.7885 0.7885 1.8199 1.8199 1.8761 1.8761 2.5669 2.5669 2.7063 2.7063 3.0991 3.0991 3.3419 3.3419 3.4162 3.4162 3.8519 3.8519 6.2765 6.2765 9.0975 9.0975 11.7459 11.7459 13.1525 13.1525 k = 0.5000-0.1054-0.0887 ( 2430 PWs) bands (ev): -23.6067 -23.6067 -17.5321 -17.5321 -17.4566 -17.4566 -5.3917 -5.3917 -4.9881 -4.9881 -3.9102 -3.9102 -3.5479 -3.5479 0.4023 0.4023 0.8251 0.8251 1.3722 1.3722 1.6006 1.6006 1.9500 1.9500 2.5098 2.5098 2.8426 2.8426 2.9529 2.9529 3.4507 3.4507 4.1958 4.1958 7.7747 7.7747 8.8261 8.8261 10.3575 10.3575 14.7376 14.7376 k = 0.5035-0.0958-0.0806 ( 2438 PWs) bands (ev): -23.6067 -23.6067 -17.5321 -17.5321 -17.4567 -17.4567 -5.3921 -5.3921 -4.9881 -4.9881 -3.9103 -3.9102 -3.5481 -3.5480 0.4023 0.4031 0.8240 0.8261 1.3718 1.3732 1.5991 1.6021 1.9504 1.9510 2.5092 2.5104 2.8388 2.8463 2.9511 2.9549 3.4502 3.4510 4.1952 4.1958 7.7733 7.7741 8.8262 8.8262 10.3598 10.3603 14.7226 14.7400 k = 0.5070-0.0861-0.0725 ( 2436 PWs) bands (ev): -23.6066 -23.6066 -17.5321 -17.5320 -17.4568 -17.4568 -5.3932 -5.3931 -4.9879 -4.9879 -3.9106 -3.9103 -3.5484 -3.5483 0.4031 0.4047 0.8229 0.8271 1.3720 1.3748 1.5979 1.6037 1.9524 1.9535 2.5086 2.5111 2.8351 2.8499 2.9499 2.9573 3.4496 3.4512 4.1939 4.1953 7.7700 7.7716 8.8265 8.8266 10.3672 10.3683 14.6953 14.7296 k = 0.5104-0.0765-0.0643 ( 2434 PWs) bands (ev): -23.6065 -23.6064 -17.5320 -17.5320 -17.4571 -17.4571 -5.3949 -5.3948 -4.9877 -4.9877 -3.9110 -3.9106 -3.5489 -3.5488 0.4046 0.4071 0.8218 0.8279 1.3730 1.3772 1.5968 1.6055 1.9557 1.9574 2.5081 2.5119 2.8313 2.8532 2.9492 2.9601 3.4489 3.4513 4.1921 4.1942 7.7647 7.7670 8.8272 8.8273 10.3797 10.3813 14.6563 14.7064 k = 0.5139-0.0668-0.0562 ( 2432 PWs) bands (ev): -23.6062 -23.6062 -17.5319 -17.5319 -17.4575 -17.4575 -5.3973 -5.3972 -4.9875 -4.9874 -3.9116 -3.9109 -3.5497 -3.5495 0.4069 0.4102 0.8205 0.8287 1.3746 1.3802 1.5959 1.6073 1.9605 1.9628 2.5076 2.5127 2.8276 2.8562 2.9492 2.9630 3.4481 3.4512 4.1897 4.1924 7.7575 7.7606 8.8281 8.8283 10.3972 10.3993 14.6066 14.6708 k = 0.5174-0.0571-0.0481 ( 2425 PWs) bands (ev): -23.6060 -23.6060 -17.5318 -17.5317 -17.4580 -17.4580 -5.4003 -5.4002 -4.9873 -4.9872 -3.9122 -3.9114 -3.5506 -3.5504 0.4100 0.4140 0.8193 0.8294 1.3770 1.3839 1.5953 1.6093 1.9667 1.9695 2.5071 2.5137 2.8241 2.8589 2.9499 2.9662 3.4471 3.4511 4.1867 4.1901 7.7484 7.7522 8.8294 8.8297 10.4195 10.4221 14.5473 14.6236 k = 0.5209-0.0475-0.0400 ( 2425 PWs) bands (ev): -23.6056 -23.6056 -17.5316 -17.5316 -17.4586 -17.4586 -5.4038 -5.4037 -4.9871 -4.9870 -3.9129 -3.9120 -3.5517 -3.5515 0.4137 0.4183 0.8180 0.8300 1.3802 1.3884 1.5951 1.6114 1.9741 1.9775 2.5065 2.5147 2.8207 2.8610 2.9512 2.9695 3.4461 3.4508 4.1832 4.1873 7.7374 7.7419 8.8312 8.8316 10.4465 10.4496 14.4794 14.5660 k = 0.5243-0.0378-0.0318 ( 2425 PWs) bands (ev): -23.6053 -23.6053 -17.5314 -17.5314 -17.4594 -17.4594 -5.4078 -5.4077 -4.9871 -4.9870 -3.9136 -3.9126 -3.5531 -3.5528 0.4180 0.4233 0.8166 0.8304 1.3841 1.3936 1.5952 1.6138 1.9828 1.9867 2.5060 2.5158 2.8174 2.8627 2.9533 2.9729 3.4448 3.4503 4.1791 4.1838 7.7247 7.7299 8.8334 8.8339 10.4780 10.4815 14.4045 14.4993 k = 0.5278-0.0282-0.0237 ( 2429 PWs) bands (ev): -23.6048 -23.6048 -17.5312 -17.5312 -17.4602 -17.4602 -5.4123 -5.4121 -4.9872 -4.9871 -3.9144 -3.9132 -3.5546 -3.5543 0.4228 0.4287 0.8152 0.8307 1.3889 1.3996 1.5959 1.6165 1.9926 1.9971 2.5054 2.5170 2.8143 2.8638 2.9560 2.9764 3.4434 3.4497 4.1745 4.1798 7.7103 7.7161 8.8362 8.8368 10.5138 10.5177 14.3238 14.4250 k = 0.5313-0.0185-0.0156 ( 2427 PWs) bands (ev): -23.6044 -23.6043 -17.5310 -17.5309 -17.4611 -17.4611 -5.4171 -5.4169 -4.9877 -4.9876 -3.9151 -3.9138 -3.5563 -3.5560 0.4281 0.4346 0.8137 0.8308 1.3945 1.4064 1.5972 1.6196 2.0036 2.0085 2.5049 2.5184 2.8114 2.8645 2.9595 2.9799 3.4419 3.4490 4.1694 4.1753 7.6942 7.7006 8.8395 8.8404 10.5536 10.5580 14.2385 14.3448 k = 0.5348-0.0089-0.0075 ( 2426 PWs) bands (ev): -23.6038 -23.6038 -17.5307 -17.5307 -17.4621 -17.4621 -5.4222 -5.4220 -4.9885 -4.9883 -3.9158 -3.9143 -3.5581 -3.5578 0.4339 0.4407 0.8121 0.8307 1.4010 1.4140 1.5992 1.6230 2.0157 2.0210 2.5043 2.5199 2.8087 2.8649 2.9635 2.9835 3.4403 3.4482 4.1637 4.1703 7.6766 7.6836 8.8436 8.8446 10.5973 10.6020 14.1500 14.2600 k = 0.5383 0.0008 0.0007 ( 2424 PWs) bands (ev): -23.6032 -23.6032 -17.5304 -17.5304 -17.4633 -17.4632 -5.4275 -5.4273 -4.9897 -4.9895 -3.9164 -3.9148 -3.5602 -3.5599 0.4399 0.4472 0.8105 0.8304 1.4085 1.4225 1.6018 1.6269 2.0287 2.0343 2.5038 2.5215 2.8063 2.8649 2.9681 2.9872 3.4385 3.4473 4.1576 4.1648 7.6575 7.6650 8.8483 8.8496 10.6445 10.6496 14.0591 14.1719 k = 0.5417 0.0104 0.0088 ( 2420 PWs) bands (ev): -23.6026 -23.6026 -17.5301 -17.5301 -17.4645 -17.4644 -5.4330 -5.4328 -4.9914 -4.9912 -3.9169 -3.9152 -3.5624 -3.5620 0.4463 0.4537 0.8088 0.8299 1.4169 1.4318 1.6053 1.6314 2.0426 2.0485 2.5032 2.5233 2.8040 2.8646 2.9730 2.9908 3.4366 3.4462 4.1511 4.1589 7.6370 7.6449 8.8538 8.8553 10.6951 10.7005 13.9670 14.0816 k = 0.5452 0.0201 0.0169 ( 2416 PWs) bands (ev): -23.6019 -23.6019 -17.5298 -17.5297 -17.4657 -17.4657 -5.4385 -5.4384 -4.9936 -4.9934 -3.9172 -3.9155 -3.5647 -3.5644 0.4528 0.4604 0.8070 0.8292 1.4262 1.4420 1.6097 1.6364 2.0573 2.0633 2.5027 2.5252 2.8020 2.8642 2.9782 2.9945 3.4346 3.4449 4.1442 4.1525 7.6151 7.6235 8.8601 8.8618 10.7487 10.7543 13.8743 13.9902 k = 0.5487 0.0298 0.0250 ( 2422 PWs) bands (ev): -23.6012 -23.6012 -17.5295 -17.5294 -17.4671 -17.4671 -5.4441 -5.4439 -4.9964 -4.9962 -3.9174 -3.9155 -3.5672 -3.5668 0.4594 0.4670 0.8052 0.8283 1.4364 1.4530 1.6149 1.6421 2.0727 2.0787 2.5022 2.5273 2.8002 2.8635 2.9836 2.9980 3.4323 3.4435 4.1369 4.1457 7.5920 7.6008 8.8671 8.8690 10.8051 10.8110 13.7818 13.8984 k = 0.5522 0.0394 0.0332 ( 2424 PWs) bands (ev): -23.6005 -23.6005 -17.5291 -17.5290 -17.4685 -17.4685 -5.4497 -5.4495 -4.9999 -4.9996 -3.9174 -3.9154 -3.5699 -3.5695 0.4660 0.4736 0.8034 0.8273 1.4474 1.4648 1.6210 1.6485 2.0888 2.0946 2.5017 2.5296 2.7986 2.8629 2.9891 3.0016 3.4300 3.4419 4.1292 4.1385 7.5677 7.5769 8.8748 8.8771 10.8641 10.8700 13.6902 13.8070 k = 0.5556 0.0491 0.0413 ( 2422 PWs) bands (ev): -23.5997 -23.5997 -17.5287 -17.5286 -17.4700 -17.4700 -5.4552 -5.4550 -5.0040 -5.0037 -3.9171 -3.9151 -3.5726 -3.5722 0.4727 0.4801 0.8015 0.8261 1.4594 1.4774 1.6282 1.6555 2.1054 2.1108 2.5014 2.5322 2.7973 2.8623 2.9947 3.0052 3.4275 3.4403 4.1212 4.1310 7.5424 7.5519 8.8834 8.8859 10.9253 10.9312 13.6001 13.7166 k = 0.5591 0.0587 0.0494 ( 2426 PWs) bands (ev): -23.5989 -23.5989 -17.5283 -17.5282 -17.4716 -17.4716 -5.4605 -5.4603 -5.0088 -5.0085 -3.9166 -3.9145 -3.5755 -3.5751 0.4792 0.4863 0.7996 0.8247 1.4721 1.4907 1.6362 1.6632 2.1225 2.1274 2.5011 2.5349 2.7963 2.8618 3.0003 3.0087 3.4249 3.4384 4.1129 4.1231 7.5161 7.5258 8.8926 8.8955 10.9884 10.9942 13.5120 13.6278 k = 0.5626 0.0684 0.0575 ( 2426 PWs) bands (ev): -23.5981 -23.5981 -17.5278 -17.5278 -17.4732 -17.4732 -5.4657 -5.4655 -5.0143 -5.0140 -3.9158 -3.9136 -3.5785 -3.5780 0.4857 0.4924 0.7977 0.8233 1.4855 1.5046 1.6451 1.6716 2.1401 2.1441 2.5010 2.5380 2.7956 2.8614 3.0059 3.0122 3.4221 3.4364 4.1044 4.1150 7.4888 7.4988 8.9027 8.9058 11.0532 11.0586 13.4265 13.5412 k = 0.5661 0.0780 0.0657 ( 2434 PWs) bands (ev): -23.5972 -23.5972 -17.5274 -17.5273 -17.4749 -17.4748 -5.4707 -5.4705 -5.0205 -5.0202 -3.9148 -3.9125 -3.5816 -3.5811 0.4920 0.4982 0.7959 0.8217 1.4996 1.5192 1.6549 1.6806 2.1579 2.1608 2.5010 2.5414 2.7951 2.8611 3.0113 3.0157 3.4192 3.4343 4.0956 4.1066 7.4607 7.4709 8.9133 8.9168 11.1191 11.1241 13.3439 13.4571 k = 0.5695 0.0877 0.0738 ( 2436 PWs) bands (ev): -23.5964 -23.5963 -17.5269 -17.5268 -17.4765 -17.4765 -5.4754 -5.4752 -5.0275 -5.0271 -3.9134 -3.9112 -3.5847 -3.5842 0.4982 0.5038 0.7941 0.8201 1.5144 1.5344 1.6654 1.6902 2.1761 2.1776 2.5012 2.5451 2.7949 2.8612 3.0166 3.0193 3.4162 3.4321 4.0867 4.0980 7.4318 7.4421 8.9247 8.9285 11.1859 11.1901 13.2650 13.3762 k = 0.5730 0.0974 0.0819 ( 2434 PWs) bands (ev): -23.5955 -23.5954 -17.5264 -17.5264 -17.4783 -17.4783 -5.4798 -5.4797 -5.0351 -5.0347 -3.9118 -3.9095 -3.5880 -3.5875 0.5043 0.5091 0.7923 0.8185 1.5296 1.5500 1.6767 1.7002 2.1942 2.1944 2.5017 2.5493 2.7951 2.8615 3.0218 3.0230 3.4131 3.4296 4.0777 4.0892 7.4023 7.4127 8.9366 8.9407 11.2532 11.2563 13.1902 13.2989 k = 0.5765 0.1070 0.0900 ( 2428 PWs) bands (ev): -23.5946 -23.5946 -17.5259 -17.5259 -17.4800 -17.4800 -5.4840 -5.4839 -5.0434 -5.0430 -3.9099 -3.9076 -3.5912 -3.5908 0.5102 0.5142 0.7907 0.8169 1.5453 1.5661 1.6885 1.7106 2.2106 2.2130 2.5024 2.5539 2.7957 2.8623 3.0267 3.0268 3.4099 3.4271 4.0686 4.0804 7.3721 7.3826 8.9490 8.9534 11.3203 11.3220 13.1200 13.2256 k = 0.5800 0.1167 0.0982 ( 2432 PWs) bands (ev): -23.5937 -23.5937 -17.5254 -17.5253 -17.4818 -17.4818 -5.4878 -5.4878 -5.0524 -5.0520 -3.9078 -3.9054 -3.5946 -3.5941 0.5159 0.5190 0.7892 0.8152 1.5613 1.5824 1.7006 1.7213 2.2267 2.2316 2.5033 2.5588 2.7967 2.8635 3.0306 3.0316 3.4065 3.4243 4.0594 4.0714 7.3414 7.3518 8.9618 8.9666 11.3865 11.3867 13.0551 13.1570 k = 0.5835 0.1263 0.1063 ( 2430 PWs) bands (ev): -23.5928 -23.5928 -17.5249 -17.5248 -17.4836 -17.4835 -5.4914 -5.4913 -5.0620 -5.0616 -3.9053 -3.9030 -3.5980 -3.5975 0.5216 0.5237 0.7878 0.8136 1.5776 1.5990 1.7130 1.7321 2.2424 2.2504 2.5045 2.5643 2.7980 2.8652 3.0346 3.0362 3.4031 3.4215 4.0502 4.0623 7.3102 7.3207 8.9751 8.9802 11.4490 11.4518 12.9963 13.0936 k = 0.5869 0.1360 0.1144 ( 2436 PWs) bands (ev): -23.5919 -23.5919 -17.5243 -17.5243 -17.4853 -17.4853 -5.4946 -5.4945 -5.0722 -5.0718 -3.9026 -3.9003 -3.6015 -3.6010 0.5271 0.5282 0.7865 0.8121 1.5940 1.6158 1.7255 1.7428 2.2577 2.2691 2.5060 2.5700 2.7998 2.8674 3.0387 3.0405 3.3995 3.4184 4.0411 4.0532 7.2786 7.2890 8.9886 8.9940 11.5086 11.5148 12.9443 13.0362 k = 0.5904 0.1456 0.1225 ( 2436 PWs) bands (ev): -23.5910 -23.5910 -17.5238 -17.5237 -17.4871 -17.4871 -5.4974 -5.4974 -5.0829 -5.0824 -3.8996 -3.8973 -3.6049 -3.6045 0.5326 0.5326 0.7854 0.8106 1.6105 1.6326 1.7380 1.7534 2.2726 2.2878 2.5079 2.5763 2.8021 2.8703 3.0432 3.0447 3.3958 3.4152 4.0320 4.0441 7.2467 7.2570 9.0024 9.0081 11.5643 11.5747 12.9000 12.9854 k = 0.5939 0.1553 0.1307 ( 2436 PWs) bands (ev): -23.5901 -23.5901 -17.5232 -17.5231 -17.4889 -17.4889 -5.5000 -5.5000 -5.0941 -5.0936 -3.8965 -3.8941 -3.6084 -3.6080 0.5369 0.5380 0.7844 0.8092 1.6269 1.6494 1.7501 1.7636 2.2870 2.3065 2.5100 2.5828 2.8049 2.8739 3.0480 3.0486 3.3921 3.4118 4.0230 4.0351 7.2146 7.2248 9.0162 9.0222 11.6150 11.6307 12.8643 12.9420 k = 0.5974 0.1649 0.1388 ( 2431 PWs) bands (ev): -23.5892 -23.5892 -17.5226 -17.5226 -17.4906 -17.4906 -5.5023 -5.5022 -5.1057 -5.1052 -3.8930 -3.8907 -3.6119 -3.6115 0.5411 0.5435 0.7837 0.8080 1.6433 1.6661 1.7618 1.7734 2.3010 2.3252 2.5124 2.5896 2.8084 2.8783 3.0523 3.0531 3.3883 3.4082 4.0142 4.0262 7.1824 7.1924 9.0301 9.0364 11.6595 11.6815 12.8383 12.9071 k = 0.6008 0.1746 0.1469 ( 2432 PWs) bands (ev): -23.5884 -23.5884 -17.5220 -17.5220 -17.4923 -17.4923 -5.5043 -5.5042 -5.1176 -5.1170 -3.8894 -3.8871 -3.6154 -3.6150 0.5454 0.5489 0.7831 0.8068 1.6594 1.6825 1.7729 1.7826 2.3146 2.3439 2.5150 2.5965 2.8124 2.8835 3.0558 3.0585 3.3844 3.4045 4.0056 4.0174 7.1500 7.1599 9.0439 9.0505 11.6969 11.7262 12.8227 12.8814 k = 0.6043 0.1843 0.1550 ( 2431 PWs) bands (ev): -23.5876 -23.5875 -17.5214 -17.5214 -17.4940 -17.4940 -5.5061 -5.5059 -5.1298 -5.1292 -3.8856 -3.8833 -3.6189 -3.6185 0.5497 0.5545 0.7827 0.8058 1.6752 1.6987 1.7833 1.7910 2.3277 2.3624 2.5179 2.6035 2.8171 2.8895 3.0591 3.0644 3.3805 3.4006 3.9971 4.0087 7.1177 7.1274 9.0575 9.0643 11.7262 11.7637 12.8179 12.8656 k = 0.6078 0.1939 0.1632 ( 2429 PWs) bands (ev): -23.5868 -23.5867 -17.5208 -17.5207 -17.4957 -17.4957 -5.5077 -5.5075 -5.1421 -5.1414 -3.8816 -3.8794 -3.6224 -3.6219 0.5541 0.5601 0.7825 0.8050 1.6905 1.7144 1.7928 1.7986 2.3405 2.3809 2.5210 2.6102 2.8225 2.8965 3.0622 3.0708 3.3766 3.3966 3.9890 4.0002 7.0855 7.0949 9.0709 9.0779 11.7475 11.7935 12.8239 12.8601 k = 0.6113 0.2036 0.1713 ( 2426 PWs) bands (ev): -23.5860 -23.5860 -17.5202 -17.5201 -17.4973 -17.4973 -5.5091 -5.5089 -5.1545 -5.1538 -3.8774 -3.8752 -3.6258 -3.6254 0.5586 0.5659 0.7826 0.8043 1.7053 1.7295 1.8013 1.8053 2.3529 2.3993 2.5242 2.6167 2.8286 2.9044 3.0651 3.0776 3.3728 3.3924 3.9811 3.9919 7.0534 7.0626 9.0838 9.0910 11.7608 11.8152 12.8400 12.8648 k = 0.6148 0.2132 0.1794 ( 2426 PWs) bands (ev): -23.5853 -23.5853 -17.5195 -17.5195 -17.4988 -17.4988 -5.5105 -5.5102 -5.1668 -5.1660 -3.8731 -3.8709 -3.6292 -3.6288 0.5633 0.5719 0.7828 0.8038 1.7195 1.7440 1.8089 1.8111 2.3650 2.4176 2.5274 2.6228 2.8354 2.9133 3.0678 3.0850 3.3689 3.3881 3.9734 3.9839 7.0216 7.0305 9.0962 9.1035 11.7670 11.8292 12.8652 12.8790 k = 0.6182 0.2229 0.1875 ( 2422 PWs) bands (ev): -23.5846 -23.5846 -17.5189 -17.5188 -17.5003 -17.5003 -5.5118 -5.5115 -5.1789 -5.1781 -3.8686 -3.8665 -3.6326 -3.6322 0.5682 0.5780 0.7833 0.8035 1.7329 1.7575 1.8153 1.8161 2.3769 2.4358 2.5307 2.6283 2.8429 2.9230 3.0705 3.0930 3.3652 3.3837 3.9661 3.9761 6.9901 6.9988 9.1079 9.1154 11.7674 11.8362 12.8977 12.9015 k = 0.6217 0.2325 0.1957 ( 2417 PWs) bands (ev): -23.5840 -23.5839 -17.5182 -17.5182 -17.5017 -17.5017 -5.5133 -5.5129 -5.1907 -5.1898 -3.8640 -3.8620 -3.6359 -3.6356 0.5732 0.5843 0.7839 0.8033 1.7454 1.7699 1.8205 1.8208 2.3885 2.4538 2.5341 2.6332 2.8511 2.9337 3.0731 3.1017 3.3616 3.3792 3.9592 3.9686 6.9590 6.9674 9.1189 9.1265 11.7632 11.8375 12.9307 12.9358 k = 0.6252 0.2422 0.2038 ( 2416 PWs) bands (ev): -23.5834 -23.5833 -17.5175 -17.5175 -17.5031 -17.5030 -5.5150 -5.5146 -5.2020 -5.2011 -3.8593 -3.8573 -3.6391 -3.6388 0.5785 0.5909 0.7848 0.8032 1.7569 1.7806 1.8246 1.8254 2.3998 2.4714 2.5374 2.6373 2.8598 2.9451 3.0756 3.1108 3.3581 3.3745 3.9525 3.9614 6.9284 6.9365 9.1290 9.1367 11.7558 11.8343 12.9649 12.9777 k = 0.6287 0.2519 0.2119 ( 2416 PWs) bands (ev): -23.5828 -23.5828 -17.5168 -17.5168 -17.5043 -17.5043 -5.5171 -5.5166 -5.2126 -5.2117 -3.8544 -3.8525 -3.6424 -3.6421 0.5840 0.5977 0.7858 0.8034 1.7670 1.7891 1.8291 1.8292 2.4108 2.4884 2.5410 2.6406 2.8689 2.9571 3.0782 3.1206 3.3549 3.3698 3.9463 3.9544 6.8983 6.9061 9.1382 9.1458 11.7462 11.8278 13.0022 13.0217 k = 0.6321 0.2615 0.2200 ( 2408 PWs) bands (ev): -23.5823 -23.5823 -17.5161 -17.5161 -17.5055 -17.5055 -5.5196 -5.5191 -5.2225 -5.2215 -3.8495 -3.8477 -3.6455 -3.6452 0.5898 0.6047 0.7871 0.8037 1.7758 1.7947 1.8326 1.8346 2.4216 2.5044 2.5450 2.6431 2.8784 2.9697 3.0809 3.1310 3.3519 3.3650 3.9403 3.9478 6.8688 6.8763 9.1462 9.1539 11.7356 11.8192 13.0410 13.0662 k = 0.6356 0.2712 0.2282 ( 2406 PWs) bands (ev): -23.5819 -23.5818 -17.5154 -17.5154 -17.5066 -17.5066 -5.5228 -5.5223 -5.2313 -5.2303 -3.8445 -3.8428 -3.6486 -3.6483 0.5957 0.6119 0.7885 0.8041 1.7827 1.7974 1.8358 1.8412 2.4319 2.5186 2.5504 2.6449 2.8881 2.9824 3.0840 3.1419 3.3493 3.3603 3.9347 3.9415 6.8400 6.8471 9.1531 9.1607 11.7246 11.8094 13.0796 13.1097 k = 0.6391 0.2808 0.2363 ( 2408 PWs) bands (ev): -23.5815 -23.5815 -17.5147 -17.5147 -17.5076 -17.5075 -5.5268 -5.5262 -5.2389 -5.2379 -3.8394 -3.8377 -3.6515 -3.6514 0.6020 0.6193 0.7902 0.8047 1.7876 1.7974 1.8390 1.8485 2.4419 2.5293 2.5585 2.6458 2.8977 2.9950 3.0877 3.1532 3.3470 3.3555 3.9294 3.9354 6.8119 6.8187 9.1587 9.1662 11.7139 11.7991 13.1164 13.1506 k = 0.6426 0.2905 0.2444 ( 2412 PWs) bands (ev): -23.5812 -23.5811 -17.5141 -17.5141 -17.5084 -17.5084 -5.5317 -5.5311 -5.2453 -5.2443 -3.8343 -3.8327 -3.6545 -3.6543 0.6084 0.6269 0.7919 0.8055 1.7903 1.7955 1.8425 1.8560 2.4513 2.5358 2.5699 2.6460 2.9073 3.0070 3.0924 3.1650 3.3452 3.3507 3.9244 3.9297 6.7845 6.7910 9.1629 9.1703 11.7039 11.7889 13.1498 13.1873 k = 0.6461 0.3001 0.2525 ( 2410 PWs) bands (ev): -23.5809 -23.5809 -17.5134 -17.5134 -17.5091 -17.5091 -5.5375 -5.5369 -5.2502 -5.2492 -3.8291 -3.8275 -3.6573 -3.6572 0.6151 0.6347 0.7939 0.8064 1.7911 1.7923 1.8463 1.8633 2.4603 2.5396 2.5834 2.6455 2.9165 3.0179 3.0985 3.1772 3.3439 3.3461 3.9196 3.9242 6.7580 6.7641 9.1658 9.1730 11.6949 11.7791 13.1781 13.2175 Writing output data file AgNO3.save init_run : 2.35s CPU 12.60s WALL ( 1 calls) electrons : 401.25s CPU 406.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.44s CPU 2.24s WALL ( 1 calls) Called by electrons: c_bands : 401.22s CPU 406.29s WALL ( 1 calls) v_of_rho : 0.20s CPU 0.99s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.17s CPU 0.55s WALL ( 1 calls) newd : 0.48s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 312 calls) cegterg : 383.60s CPU 386.37s WALL ( 833 calls) Called by sum_band: Called by *egterg: h_psi : 139.49s CPU 146.71s WALL ( 14746 calls) s_psi : 11.87s CPU 12.46s WALL ( 14746 calls) g_psi : 0.37s CPU 0.44s WALL ( 13601 calls) cdiaghg : 176.85s CPU 173.89s WALL ( 13913 calls) cegterg:over : 30.78s CPU 28.40s WALL ( 13601 calls) cegterg:upda : 4.04s CPU 6.51s WALL ( 13601 calls) cegterg:last : 4.34s CPU 5.12s WALL ( 2080 calls) Called by h_psi: h_psi:vloc : 112.77s CPU 119.29s WALL ( 14746 calls) h_psi:vnl : 26.58s CPU 26.93s WALL ( 14746 calls) add_vuspsi : 6.83s CPU 9.80s WALL ( 14746 calls) General routines calbec : 19.72s CPU 16.98s WALL ( 14746 calls) fft : 0.44s CPU 1.33s WALL ( 19 calls) ffts : 0.02s CPU 0.61s WALL ( 4 calls) fftw : 107.32s CPU 113.21s WALL ( 998528 calls) interpolate : 0.06s CPU 0.65s WALL ( 4 calls) davcio : 0.03s CPU 1.22s WALL ( 624 calls) Parallel routines fft_scatter : 72.68s CPU 78.57s WALL ( 998551 calls) PWSCF : 7m17.63s CPU 8m21.86s WALL This run was terminated on: 1:59:49 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. 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