Program PWSCF v.5.4.0 starts on 21Mar2017 at 1:27:19 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./ScAlCO.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 26 7 1178 415 69 Max 53 27 8 1179 432 72 Sum 3759 1889 573 84835 30495 5123 bravais-lattice index = 14 lattice parameter (alat) = 19.3009 a.u. unit-cell volume = 623.4645 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 19.300861 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.949064 celldm(5)= 0.949064 celldm(6)= 0.949064 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.949064 0.315083 0.000000 ) a(3) = ( 0.949064 0.153424 0.275206 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -3.012112 -1.769344 ) b(2) = ( 0.000000 3.173770 -1.769344 ) b(3) = ( 0.000000 0.000000 3.633648 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 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 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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. # 4 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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) Sc 11.00 44.95590 Sc( 1.00) C 4.00 12.01070 C( 1.00) Al 3.00 26.98150 Al( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0089286 -0.0268939 -0.0157977), wk = 0.0028736 k( 3) = ( 0.0178571 -0.0537877 -0.0315954), wk = 0.0028736 k( 4) = ( 0.0267857 -0.0806816 -0.0473931), wk = 0.0028736 k( 5) = ( 0.0357143 -0.1075754 -0.0631909), wk = 0.0028736 k( 6) = ( 0.0446429 -0.1344693 -0.0789886), wk = 0.0028736 k( 7) = ( 0.0535714 -0.1613631 -0.0947863), wk = 0.0028736 k( 8) = ( 0.0625000 -0.1882570 -0.1105840), wk = 0.0028736 k( 9) = ( 0.0714286 -0.2151508 -0.1263817), wk = 0.0028736 k( 10) = ( 0.0803571 -0.2420447 -0.1421794), wk = 0.0028736 k( 11) = ( 0.0892857 -0.2689385 -0.1579771), wk = 0.0028736 k( 12) = ( 0.0982143 -0.2958324 -0.1737749), wk = 0.0028736 k( 13) = ( 0.1071429 -0.3227263 -0.1895726), wk = 0.0028736 k( 14) = ( 0.1160714 -0.3496201 -0.2053703), wk = 0.0028736 k( 15) = ( 0.1250000 -0.3765140 -0.2211680), wk = 0.0028736 k( 16) = ( 0.1339286 -0.4034078 -0.2369657), wk = 0.0028736 k( 17) = ( 0.1428571 -0.4303017 -0.2527634), wk = 0.0028736 k( 18) = ( 0.1517857 -0.4571955 -0.2685611), wk = 0.0028736 k( 19) = ( 0.1607143 -0.4840894 -0.2843589), wk = 0.0028736 k( 20) = ( 0.1696429 -0.5109833 -0.3001566), wk = 0.0028736 k( 21) = ( 0.1785714 -0.5378771 -0.3159543), wk = 0.0028736 k( 22) = ( 0.1875000 -0.5647710 -0.3317520), wk = 0.0028736 k( 23) = ( 0.1964286 -0.5916648 -0.3475497), wk = 0.0028736 k( 24) = ( 0.2053571 -0.6185587 -0.3633474), wk = 0.0028736 k( 25) = ( 0.2142857 -0.6454525 -0.3791451), wk = 0.0028736 k( 26) = ( 0.2232143 -0.6723464 -0.3949429), wk = 0.0028736 k( 27) = ( 0.2321429 -0.6992403 -0.4107406), wk = 0.0028736 k( 28) = ( 0.2410714 -0.7261341 -0.4265383), wk = 0.0028736 k( 29) = ( 0.2500000 -0.7530280 -0.4423360), wk = 0.0028736 k( 30) = ( 0.2589286 -0.7799218 -0.4581337), wk = 0.0028736 k( 31) = ( 0.2678571 -0.8068157 -0.4739314), wk = 0.0028736 k( 32) = ( 0.2767857 -0.8337095 -0.4897291), wk = 0.0028736 k( 33) = ( 0.2857143 -0.8606034 -0.5055269), wk = 0.0028736 k( 34) = ( 0.2946429 -0.8874973 -0.5213246), wk = 0.0028736 k( 35) = ( 0.3035714 -0.9143911 -0.5371223), wk = 0.0028736 k( 36) = ( 0.3125000 -0.9412850 -0.5529200), wk = 0.0028736 k( 37) = ( 0.3214286 -0.9681788 -0.5687177), wk = 0.0028736 k( 38) = ( 0.3303571 -0.9950727 -0.5845154), wk = 0.0028736 k( 39) = ( 0.3392857 -1.0219665 -0.6003131), wk = 0.0028736 k( 40) = ( 0.3482143 -1.0488604 -0.6161109), wk = 0.0028736 k( 41) = ( 0.3571429 -1.0757542 -0.6319086), wk = 0.0028736 k( 42) = ( 0.3660714 -1.1026481 -0.6477063), wk = 0.0028736 k( 43) = ( 0.3750000 -1.1295419 -0.6635040), wk = 0.0028736 k( 44) = ( 0.3839286 -1.1564358 -0.6793017), wk = 0.0028736 k( 45) = ( 0.3928571 -1.1833296 -0.6950994), wk = 0.0028736 k( 46) = ( 0.4017857 -1.2102235 -0.7108971), wk = 0.0028736 k( 47) = ( 0.4107143 -1.2371174 -0.7266949), wk = 0.0028736 k( 48) = ( 0.4196429 -1.2640112 -0.7424926), wk = 0.0028736 k( 49) = ( 0.4285714 -1.2909051 -0.7582903), wk = 0.0028736 k( 50) = ( 0.4375000 -1.3177989 -0.7740880), wk = 0.0028736 k( 51) = ( 0.4464286 -1.3446928 -0.7898857), wk = 0.0028736 k( 52) = ( 0.4553571 -1.3715866 -0.8056834), wk = 0.0028736 k( 53) = ( 0.4642857 -1.3984805 -0.8214811), wk = 0.0028736 k( 54) = ( 0.4732143 -1.4253744 -0.8372789), wk = 0.0028736 k( 55) = ( 0.4821429 -1.4522682 -0.8530766), wk = 0.0028736 k( 56) = ( 0.4910714 -1.4791621 -0.8688743), wk = 0.0028736 k( 57) = ( 0.5000000 -1.5060559 -0.8846720), wk = 0.0028736 k( 58) = ( 0.5000000 -1.5060559 -0.8846720), wk = 0.0028736 k( 59) = ( 0.5000000 -1.4899514 -0.9120882), wk = 0.0028736 k( 60) = ( 0.5000000 -1.4738468 -0.9395045), wk = 0.0028736 k( 61) = ( 0.5000000 -1.4577422 -0.9669207), wk = 0.0028736 k( 62) = ( 0.5000000 -1.4416377 -0.9943369), wk = 0.0028736 k( 63) = ( 0.5000000 -1.4255331 -1.0217531), wk = 0.0028736 k( 64) = ( 0.5000000 -1.4094286 -1.0491694), wk = 0.0028736 k( 65) = ( 0.5000000 -1.3933240 -1.0765856), wk = 0.0028736 k( 66) = ( 0.5000000 -1.3772194 -1.1040019), wk = 0.0028736 k( 67) = ( 0.5000000 -1.3611149 -1.1314181), wk = 0.0028736 k( 68) = ( 0.5000000 -1.3450103 -1.1588343), wk = 0.0028736 k( 69) = ( 0.5000000 -1.3289057 -1.1862505), wk = 0.0028736 k( 70) = ( 0.5000000 -1.3128012 -1.2136668), wk = 0.0028736 k( 71) = ( 0.5000000 -1.2966966 -1.2410830), wk = 0.0028736 k( 72) = ( 0.5000000 -1.2805920 -1.2684992), wk = 0.0028736 k( 73) = ( 0.5000000 -1.2644875 -1.2959155), wk = 0.0028736 k( 74) = ( 0.5000000 -1.2483829 -1.3233317), wk = 0.0028736 k( 75) = ( 0.5000000 -1.2322783 -1.3507480), wk = 0.0028736 k( 76) = ( 0.5000000 -1.2161738 -1.3781642), wk = 0.0028736 k( 77) = ( 0.5000000 -1.2000692 -1.4055804), wk = 0.0028736 k( 78) = ( 0.5000000 -1.1839647 -1.4329966), wk = 0.0028736 k( 79) = ( 0.5000000 -1.1678601 -1.4604129), wk = 0.0028736 k( 80) = ( 0.5000000 -1.1517555 -1.4878291), wk = 0.0028736 k( 81) = ( 0.5000000 -1.1356510 -1.5152453), wk = 0.0028736 k( 82) = ( 0.5000000 -1.1195464 -1.5426616), wk = 0.0028736 k( 83) = ( 0.5000000 -1.1034418 -1.5700778), wk = 0.0028736 k( 84) = ( 0.5000000 -1.0873373 -1.5974940), wk = 0.0028736 k( 85) = ( 0.5000000 -1.0712327 -1.6249102), wk = 0.0028736 k( 86) = ( 0.5000000 -1.0551282 -1.6523265), wk = 0.0028736 k( 87) = ( 0.5000000 -1.0390236 -1.6797427), wk = 0.0028736 k( 88) = ( 0.5000000 -1.0229190 -1.7071590), wk = 0.0028736 k( 89) = ( 0.5000000 -1.0068145 -1.7345752), wk = 0.0028736 k( 90) = ( 0.5000000 -0.9907099 -1.7619914), wk = 0.0028736 k( 91) = ( 0.5000000 -0.9746054 -1.7894076), wk = 0.0028736 k( 92) = ( 0.5000000 -0.9585008 -1.8168239), wk = 0.0028736 k( 93) = ( 0.8274749 -0.9055617 -1.7218642), wk = 0.0028736 k( 94) = ( 0.8223581 -0.8901493 -1.6942181), wk = 0.0028736 k( 95) = ( 0.8172413 -0.8747370 -1.6665721), wk = 0.0028736 k( 96) = ( 0.8121245 -0.8593246 -1.6389261), wk = 0.0028736 k( 97) = ( 0.8070077 -0.8439123 -1.6112801), wk = 0.0028736 k( 98) = ( 0.8018909 -0.8284999 -1.5836341), wk = 0.0028736 k( 99) = ( 0.7967741 -0.8130876 -1.5559881), wk = 0.0028736 k( 100) = ( 0.7916573 -0.7976752 -1.5283421), wk = 0.0028736 k( 101) = ( 0.7865405 -0.7822629 -1.5006961), wk = 0.0028736 k( 102) = ( 0.7814237 -0.7668505 -1.4730501), wk = 0.0028736 k( 103) = ( 0.7763069 -0.7514381 -1.4454041), wk = 0.0028736 k( 104) = ( 0.7711901 -0.7360258 -1.4177581), wk = 0.0028736 k( 105) = ( 0.7660733 -0.7206134 -1.3901121), wk = 0.0028736 k( 106) = ( 0.7609565 -0.7052010 -1.3624661), wk = 0.0028736 k( 107) = ( 0.7558397 -0.6897887 -1.3348201), wk = 0.0028736 k( 108) = ( 0.7507229 -0.6743763 -1.3071741), wk = 0.0028736 k( 109) = ( 0.7456061 -0.6589640 -1.2795281), wk = 0.0028736 k( 110) = ( 0.7404894 -0.6435516 -1.2518822), wk = 0.0028736 k( 111) = ( 0.7353726 -0.6281393 -1.2242361), wk = 0.0028736 k( 112) = ( 0.7302558 -0.6127269 -1.1965902), wk = 0.0028736 k( 113) = ( 0.7251390 -0.5973145 -1.1689441), wk = 0.0028736 k( 114) = ( 0.7200222 -0.5819022 -1.1412982), wk = 0.0028736 k( 115) = ( 0.7149054 -0.5664898 -1.1136521), wk = 0.0028736 k( 116) = ( 0.7097886 -0.5510775 -1.0860062), wk = 0.0028736 k( 117) = ( 0.7046718 -0.5356651 -1.0583601), wk = 0.0028736 k( 118) = ( 0.6995550 -0.5202528 -1.0307141), wk = 0.0028736 k( 119) = ( 0.6944382 -0.5048404 -1.0030681), wk = 0.0028736 k( 120) = ( 0.6893214 -0.4894280 -0.9754221), wk = 0.0028736 k( 121) = ( 0.6842046 -0.4740157 -0.9477761), wk = 0.0028736 k( 122) = ( 0.6790878 -0.4586033 -0.9201301), wk = 0.0028736 k( 123) = ( 0.6739710 -0.4431910 -0.8924841), wk = 0.0028736 k( 124) = ( 0.6688542 -0.4277786 -0.8648381), wk = 0.0028736 k( 125) = ( 0.6637374 -0.4123662 -0.8371921), wk = 0.0028736 k( 126) = ( 0.6586206 -0.3969539 -0.8095461), wk = 0.0028736 k( 127) = ( 0.6535038 -0.3815415 -0.7819001), wk = 0.0028736 k( 128) = ( 0.6483870 -0.3661292 -0.7542541), wk = 0.0028736 k( 129) = ( 0.6432703 -0.3507168 -0.7266081), wk = 0.0028736 k( 130) = ( 0.6381535 -0.3353045 -0.6989621), wk = 0.0028736 k( 131) = ( 0.6330367 -0.3198921 -0.6713161), wk = 0.0028736 k( 132) = ( 0.6279199 -0.3044797 -0.6436701), wk = 0.0028736 k( 133) = ( 0.6228031 -0.2890674 -0.6160241), wk = 0.0028736 k( 134) = ( 0.6176863 -0.2736550 -0.5883781), wk = 0.0028736 k( 135) = ( 0.6125695 -0.2582427 -0.5607322), wk = 0.0028736 k( 136) = ( 0.6074527 -0.2428303 -0.5330861), wk = 0.0028736 k( 137) = ( 0.6023359 -0.2274180 -0.5054402), wk = 0.0028736 k( 138) = ( 0.5972191 -0.2120056 -0.4777941), wk = 0.0028736 k( 139) = ( 0.5921023 -0.1965932 -0.4501481), wk = 0.0028736 k( 140) = ( 0.5869855 -0.1811809 -0.4225021), wk = 0.0028736 k( 141) = ( 0.5818687 -0.1657685 -0.3948561), wk = 0.0028736 k( 142) = ( 0.5767519 -0.1503562 -0.3672101), wk = 0.0028736 k( 143) = ( 0.5716351 -0.1349438 -0.3395641), wk = 0.0028736 k( 144) = ( 0.5665183 -0.1195314 -0.3119181), wk = 0.0028736 k( 145) = ( 0.5614015 -0.1041191 -0.2842721), wk = 0.0028736 k( 146) = ( 0.5562847 -0.0887067 -0.2566261), wk = 0.0028736 k( 147) = ( 0.5511679 -0.0732944 -0.2289801), wk = 0.0028736 k( 148) = ( 0.5460512 -0.0578820 -0.2013341), wk = 0.0028736 k( 149) = ( 0.5409344 -0.0424697 -0.1736881), wk = 0.0028736 k( 150) = ( 0.5358176 -0.0270573 -0.1460421), wk = 0.0028736 k( 151) = ( 0.5307008 -0.0116449 -0.1183961), wk = 0.0028736 k( 152) = ( 0.5255840 0.0037674 -0.0907501), wk = 0.0028736 k( 153) = ( 0.5204672 0.0191798 -0.0631041), wk = 0.0028736 k( 154) = ( 0.5153504 0.0345922 -0.0354581), wk = 0.0028736 k( 155) = ( 0.5102336 0.0500045 -0.0078121), wk = 0.0028736 k( 156) = ( 0.5051168 0.0654169 0.0198339), wk = 0.0028736 k( 157) = ( 0.5000000 0.0808292 0.0474799), wk = 0.0028736 k( 158) = ( 0.5000000 0.0808292 0.0474799), wk = 0.0028736 k( 159) = ( 0.4687500 0.0757774 0.0445124), wk = 0.0028736 k( 160) = ( 0.4375000 0.0707256 0.0415449), wk = 0.0028736 k( 161) = ( 0.4062500 0.0656737 0.0385774), wk = 0.0028736 k( 162) = ( 0.3750000 0.0606219 0.0356099), wk = 0.0028736 k( 163) = ( 0.3437500 0.0555701 0.0326424), wk = 0.0028736 k( 164) = ( 0.3125000 0.0505183 0.0296749), wk = 0.0028736 k( 165) = ( 0.2812500 0.0454664 0.0267074), wk = 0.0028736 k( 166) = ( 0.2500000 0.0404146 0.0237399), wk = 0.0028736 k( 167) = ( 0.2187500 0.0353628 0.0207724), wk = 0.0028736 k( 168) = ( 0.1875000 0.0303110 0.0178050), wk = 0.0028736 k( 169) = ( 0.1562500 0.0252591 0.0148375), wk = 0.0028736 k( 170) = ( 0.1250000 0.0202073 0.0118700), wk = 0.0028736 k( 171) = ( 0.0937500 0.0151555 0.0089025), wk = 0.0028736 k( 172) = ( 0.0625000 0.0101037 0.0059350), wk = 0.0028736 k( 173) = ( 0.0312500 0.0050518 0.0029675), wk = 0.0028736 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 176) = ( 0.0051733 -0.0155825 -0.0279511), wk = 0.0028736 k( 177) = ( 0.0103465 -0.0311649 -0.0559023), wk = 0.0028736 k( 178) = ( 0.0155198 -0.0467474 -0.0838534), wk = 0.0028736 k( 179) = ( 0.0206931 -0.0623299 -0.1118045), wk = 0.0028736 k( 180) = ( 0.0258663 -0.0779123 -0.1397557), wk = 0.0028736 k( 181) = ( 0.0310396 -0.0934948 -0.1677068), wk = 0.0028736 k( 182) = ( 0.0362129 -0.1090773 -0.1956579), wk = 0.0028736 k( 183) = ( 0.0413862 -0.1246597 -0.2236091), wk = 0.0028736 k( 184) = ( 0.0465594 -0.1402422 -0.2515602), wk = 0.0028736 k( 185) = ( 0.0517327 -0.1558247 -0.2795114), wk = 0.0028736 k( 186) = ( 0.0569060 -0.1714071 -0.3074625), wk = 0.0028736 k( 187) = ( 0.0620792 -0.1869896 -0.3354136), wk = 0.0028736 k( 188) = ( 0.0672525 -0.2025721 -0.3633648), wk = 0.0028736 k( 189) = ( 0.0724258 -0.2181546 -0.3913159), wk = 0.0028736 k( 190) = ( 0.0775991 -0.2337370 -0.4192670), wk = 0.0028736 k( 191) = ( 0.0827723 -0.2493195 -0.4472182), wk = 0.0028736 k( 192) = ( 0.0879456 -0.2649020 -0.4751693), wk = 0.0028736 k( 193) = ( 0.0931189 -0.2804844 -0.5031204), wk = 0.0028736 k( 194) = ( 0.0982921 -0.2960669 -0.5310716), wk = 0.0028736 k( 195) = ( 0.1034654 -0.3116494 -0.5590228), wk = 0.0028736 k( 196) = ( 0.1086387 -0.3272319 -0.5869739), wk = 0.0028736 k( 197) = ( 0.1138119 -0.3428143 -0.6149250), wk = 0.0028736 k( 198) = ( 0.1189852 -0.3583968 -0.6428762), wk = 0.0028736 k( 199) = ( 0.1241585 -0.3739793 -0.6708273), wk = 0.0028736 k( 200) = ( 0.1293318 -0.3895617 -0.6987784), wk = 0.0028736 k( 201) = ( 0.1345050 -0.4051442 -0.7267296), wk = 0.0028736 k( 202) = ( 0.1396783 -0.4207267 -0.7546807), wk = 0.0028736 k( 203) = ( 0.1448516 -0.4363091 -0.7826318), wk = 0.0028736 k( 204) = ( 0.1500248 -0.4518916 -0.8105830), wk = 0.0028736 k( 205) = ( 0.1551981 -0.4674741 -0.8385341), wk = 0.0028736 k( 206) = ( 0.1603714 -0.4830565 -0.8664852), wk = 0.0028736 k( 207) = ( 0.1655446 -0.4986390 -0.8944364), wk = 0.0028736 k( 208) = ( 0.1707179 -0.5142215 -0.9223875), wk = 0.0028736 k( 209) = ( 0.1758912 -0.5298039 -0.9503387), wk = 0.0028736 k( 210) = ( 0.1810645 -0.5453864 -0.9782898), wk = 0.0028736 k( 211) = ( 0.1862377 -0.5609689 -1.0062409), wk = 0.0028736 k( 212) = ( 0.1914110 -0.5765513 -1.0341921), wk = 0.0028736 k( 213) = ( 0.1965843 -0.5921338 -1.0621432), wk = 0.0028736 k( 214) = ( 0.2017575 -0.6077163 -1.0900943), wk = 0.0028736 k( 215) = ( 0.2069308 -0.6232987 -1.1180455), wk = 0.0028736 k( 216) = ( 0.2121041 -0.6388812 -1.1459966), wk = 0.0028736 k( 217) = ( 0.2172774 -0.6544637 -1.1739477), wk = 0.0028736 k( 218) = ( 0.2224506 -0.6700461 -1.2018989), wk = 0.0028736 k( 219) = ( 0.2276239 -0.6856286 -1.2298500), wk = 0.0028736 k( 220) = ( 0.2327972 -0.7012111 -1.2578011), wk = 0.0028736 k( 221) = ( 0.2379704 -0.7167936 -1.2857523), wk = 0.0028736 k( 222) = ( 0.2431437 -0.7323760 -1.3137034), wk = 0.0028736 k( 223) = ( 0.2483170 -0.7479585 -1.3416545), wk = 0.0028736 k( 224) = ( 0.2534902 -0.7635410 -1.3696057), wk = 0.0028736 k( 225) = ( 0.2586635 -0.7791234 -1.3975568), wk = 0.0028736 k( 226) = ( 0.2638368 -0.7947059 -1.4255079), wk = 0.0028736 k( 227) = ( 0.2690101 -0.8102884 -1.4534591), wk = 0.0028736 k( 228) = ( 0.2741833 -0.8258708 -1.4814102), wk = 0.0028736 k( 229) = ( 0.2793566 -0.8414533 -1.5093614), wk = 0.0028736 k( 230) = ( 0.2845299 -0.8570358 -1.5373125), wk = 0.0028736 k( 231) = ( 0.2897031 -0.8726182 -1.5652636), wk = 0.0028736 k( 232) = ( 0.2948764 -0.8882007 -1.5932148), wk = 0.0028736 k( 233) = ( 0.3000497 -0.9037832 -1.6211659), wk = 0.0028736 k( 234) = ( 0.3052229 -0.9193657 -1.6491171), wk = 0.0028736 k( 235) = ( 0.3103962 -0.9349481 -1.6770682), wk = 0.0028736 k( 236) = ( 0.3155695 -0.9505306 -1.7050194), wk = 0.0028736 k( 237) = ( 0.3207428 -0.9661131 -1.7329705), wk = 0.0028736 k( 238) = ( 0.3259160 -0.9816955 -1.7609216), wk = 0.0028736 k( 239) = ( 0.3310893 -0.9972780 -1.7888728), wk = 0.0028736 k( 240) = ( 0.3362626 -1.0128605 -1.8168239), wk = 0.0028736 k( 241) = ( 0.6637374 -0.9320312 -1.7693440), wk = 0.0028736 k( 242) = ( 0.6586206 -0.9003794 -1.7693440), wk = 0.0028736 k( 243) = ( 0.6535038 -0.8687274 -1.7693440), wk = 0.0028736 k( 244) = ( 0.6483870 -0.8370756 -1.7693440), wk = 0.0028736 k( 245) = ( 0.6432703 -0.8054237 -1.7693440), wk = 0.0028736 k( 246) = ( 0.6381535 -0.7737718 -1.7693440), wk = 0.0028736 k( 247) = ( 0.6330367 -0.7421199 -1.7693440), wk = 0.0028736 k( 248) = ( 0.6279199 -0.7104680 -1.7693440), wk = 0.0028736 k( 249) = ( 0.6228031 -0.6788161 -1.7693440), wk = 0.0028736 k( 250) = ( 0.6176863 -0.6471642 -1.7693440), wk = 0.0028736 k( 251) = ( 0.6125695 -0.6155124 -1.7693440), wk = 0.0028736 k( 252) = ( 0.6074527 -0.5838605 -1.7693440), wk = 0.0028736 k( 253) = ( 0.6023359 -0.5522086 -1.7693440), wk = 0.0028736 k( 254) = ( 0.5972191 -0.5205567 -1.7693440), wk = 0.0028736 k( 255) = ( 0.5921023 -0.4889048 -1.7693440), wk = 0.0028736 k( 256) = ( 0.5869855 -0.4572529 -1.7693440), wk = 0.0028736 k( 257) = ( 0.5818687 -0.4256010 -1.7693440), wk = 0.0028736 k( 258) = ( 0.5767519 -0.3939491 -1.7693440), wk = 0.0028736 k( 259) = ( 0.5716351 -0.3622973 -1.7693440), wk = 0.0028736 k( 260) = ( 0.5665183 -0.3306453 -1.7693440), wk = 0.0028736 k( 261) = ( 0.5614015 -0.2989935 -1.7693440), wk = 0.0028736 k( 262) = ( 0.5562847 -0.2673416 -1.7693440), wk = 0.0028736 k( 263) = ( 0.5511679 -0.2356897 -1.7693440), wk = 0.0028736 k( 264) = ( 0.5460512 -0.2040378 -1.7693440), wk = 0.0028736 k( 265) = ( 0.5409344 -0.1723859 -1.7693440), wk = 0.0028736 k( 266) = ( 0.5358176 -0.1407340 -1.7693440), wk = 0.0028736 k( 267) = ( 0.5307008 -0.1090821 -1.7693440), wk = 0.0028736 k( 268) = ( 0.5255840 -0.0774302 -1.7693440), wk = 0.0028736 k( 269) = ( 0.5204672 -0.0457783 -1.7693440), wk = 0.0028736 k( 270) = ( 0.5153504 -0.0141264 -1.7693440), wk = 0.0028736 k( 271) = ( 0.5102336 0.0175254 -1.7693440), wk = 0.0028736 k( 272) = ( 0.5051168 0.0491774 -1.7693440), wk = 0.0028736 k( 273) = ( 0.5000000 0.0808292 -1.7693440), wk = 0.0028736 k( 274) = ( 0.5000000 0.0808292 -1.7693440), wk = 0.0028736 k( 275) = ( 0.5272896 0.0852408 -1.7614307), wk = 0.0028736 k( 276) = ( 0.5545791 0.0896524 -1.7535174), wk = 0.0028736 k( 277) = ( 0.5818687 0.0940640 -1.7456041), wk = 0.0028736 k( 278) = ( 0.6091583 0.0984756 -1.7376907), wk = 0.0028736 k( 279) = ( 0.6364479 0.1028872 -1.7297775), wk = 0.0028736 k( 280) = ( 0.6637374 0.1072988 -1.7218641), wk = 0.0028736 k( 281) = ( 0.6637374 0.1072988 -1.7218641), wk = 0.0028736 k( 282) = ( 0.6607604 0.1068175 -1.6896943), wk = 0.0028736 k( 283) = ( 0.6577833 0.1063362 -1.6575243), wk = 0.0028736 k( 284) = ( 0.6548063 0.1058550 -1.6253545), wk = 0.0028736 k( 285) = ( 0.6518293 0.1053737 -1.5931846), wk = 0.0028736 k( 286) = ( 0.6488522 0.1048924 -1.5610147), wk = 0.0028736 k( 287) = ( 0.6458752 0.1044112 -1.5288448), wk = 0.0028736 k( 288) = ( 0.6428981 0.1039299 -1.4966749), wk = 0.0028736 k( 289) = ( 0.6399211 0.1034486 -1.4645050), wk = 0.0028736 k( 290) = ( 0.6369440 0.1029674 -1.4323351), wk = 0.0028736 k( 291) = ( 0.6339670 0.1024861 -1.4001652), wk = 0.0028736 k( 292) = ( 0.6309900 0.1020048 -1.3679953), wk = 0.0028736 k( 293) = ( 0.6280129 0.1015236 -1.3358254), wk = 0.0028736 k( 294) = ( 0.6250359 0.1010423 -1.3036556), wk = 0.0028736 k( 295) = ( 0.6220588 0.1005611 -1.2714857), wk = 0.0028736 k( 296) = ( 0.6190818 0.1000798 -1.2393158), wk = 0.0028736 k( 297) = ( 0.6161047 0.0995985 -1.2071459), wk = 0.0028736 k( 298) = ( 0.6131277 0.0991173 -1.1749760), wk = 0.0028736 k( 299) = ( 0.6101506 0.0986360 -1.1428061), wk = 0.0028736 k( 300) = ( 0.6071736 0.0981547 -1.1106362), wk = 0.0028736 k( 301) = ( 0.6041966 0.0976735 -1.0784663), wk = 0.0028736 k( 302) = ( 0.6012195 0.0971922 -1.0462964), wk = 0.0028736 k( 303) = ( 0.5982425 0.0967109 -1.0141265), wk = 0.0028736 k( 304) = ( 0.5952654 0.0962297 -0.9819566), wk = 0.0028736 k( 305) = ( 0.5922884 0.0957484 -0.9497867), wk = 0.0028736 k( 306) = ( 0.5893113 0.0952671 -0.9176169), wk = 0.0028736 k( 307) = ( 0.5863343 0.0947859 -0.8854470), wk = 0.0028736 k( 308) = ( 0.5833572 0.0943046 -0.8532771), wk = 0.0028736 k( 309) = ( 0.5803802 0.0938234 -0.8211072), wk = 0.0028736 k( 310) = ( 0.5774031 0.0933421 -0.7889373), wk = 0.0028736 k( 311) = ( 0.5744261 0.0928608 -0.7567674), wk = 0.0028736 k( 312) = ( 0.5714491 0.0923796 -0.7245975), wk = 0.0028736 k( 313) = ( 0.5684720 0.0918983 -0.6924276), wk = 0.0028736 k( 314) = ( 0.5654950 0.0914170 -0.6602577), wk = 0.0028736 k( 315) = ( 0.5625179 0.0909358 -0.6280878), wk = 0.0028736 k( 316) = ( 0.5595409 0.0904545 -0.5959179), wk = 0.0028736 k( 317) = ( 0.5565638 0.0899732 -0.5637481), wk = 0.0028736 k( 318) = ( 0.5535868 0.0894920 -0.5315782), wk = 0.0028736 k( 319) = ( 0.5506098 0.0890107 -0.4994083), wk = 0.0028736 k( 320) = ( 0.5476327 0.0885294 -0.4672384), wk = 0.0028736 k( 321) = ( 0.5446557 0.0880482 -0.4350685), wk = 0.0028736 k( 322) = ( 0.5416786 0.0875669 -0.4028986), wk = 0.0028736 k( 323) = ( 0.5387016 0.0870857 -0.3707287), wk = 0.0028736 k( 324) = ( 0.5357245 0.0866044 -0.3385588), wk = 0.0028736 k( 325) = ( 0.5327475 0.0861231 -0.3063889), wk = 0.0028736 k( 326) = ( 0.5297704 0.0856419 -0.2742190), wk = 0.0028736 k( 327) = ( 0.5267934 0.0851606 -0.2420492), wk = 0.0028736 k( 328) = ( 0.5238164 0.0846793 -0.2098792), wk = 0.0028736 k( 329) = ( 0.5208393 0.0841981 -0.1777094), wk = 0.0028736 k( 330) = ( 0.5178623 0.0837168 -0.1455395), wk = 0.0028736 k( 331) = ( 0.5148852 0.0832355 -0.1133696), wk = 0.0028736 k( 332) = ( 0.5119082 0.0827543 -0.0811997), wk = 0.0028736 k( 333) = ( 0.5089311 0.0822730 -0.0490298), wk = 0.0028736 k( 334) = ( 0.5059541 0.0817917 -0.0168599), wk = 0.0028736 k( 335) = ( 0.5029770 0.0813105 0.0153100), wk = 0.0028736 k( 336) = ( 0.5000000 0.0808292 0.0474799), wk = 0.0028736 k( 337) = ( 0.5000000 -1.5060559 -0.8846720), wk = 0.0028736 k( 338) = ( 0.5297704 -1.4987078 -0.8803557), wk = 0.0028736 k( 339) = ( 0.5595409 -1.4913597 -0.8760393), wk = 0.0028736 k( 340) = ( 0.5893113 -1.4840116 -0.8717230), wk = 0.0028736 k( 341) = ( 0.6190818 -1.4766635 -0.8674066), wk = 0.0028736 k( 342) = ( 0.6488522 -1.4693154 -0.8630902), wk = 0.0028736 k( 343) = ( 0.6786226 -1.4619672 -0.8587739), wk = 0.0028736 k( 344) = ( 0.7083931 -1.4546192 -0.8544575), wk = 0.0028736 k( 345) = ( 0.7381635 -1.4472711 -0.8501412), wk = 0.0028736 k( 346) = ( 0.7679340 -1.4399229 -0.8458248), wk = 0.0028736 k( 347) = ( 0.7977044 -1.4325748 -0.8415085), wk = 0.0028736 k( 348) = ( 0.8274749 -1.4252267 -0.8371921), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0089286 0.0000000 -0.0000000), wk = 0.0028736 k( 3) = ( 0.0178571 0.0000000 -0.0000000), wk = 0.0028736 k( 4) = ( 0.0267857 0.0000000 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0357143 0.0000000 -0.0000000), wk = 0.0028736 k( 6) = ( 0.0446429 -0.0000000 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0535714 -0.0000000 -0.0000000), wk = 0.0028736 k( 8) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0028736 k( 9) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0028736 k( 10) = ( 0.0803571 -0.0000000 -0.0000000), wk = 0.0028736 k( 11) = ( 0.0892857 0.0000000 -0.0000000), wk = 0.0028736 k( 12) = ( 0.0982143 0.0000000 -0.0000000), wk = 0.0028736 k( 13) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0028736 k( 14) = ( 0.1160714 0.0000000 -0.0000000), wk = 0.0028736 k( 15) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0028736 k( 16) = ( 0.1339286 0.0000000 -0.0000000), wk = 0.0028736 k( 17) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0028736 k( 18) = ( 0.1517857 -0.0000000 -0.0000000), wk = 0.0028736 k( 19) = ( 0.1607143 -0.0000000 -0.0000000), wk = 0.0028736 k( 20) = ( 0.1696429 -0.0000000 -0.0000000), wk = 0.0028736 k( 21) = ( 0.1785714 0.0000000 -0.0000000), wk = 0.0028736 k( 22) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0028736 k( 23) = ( 0.1964286 -0.0000000 -0.0000000), wk = 0.0028736 k( 24) = ( 0.2053571 -0.0000000 -0.0000000), wk = 0.0028736 k( 25) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0028736 k( 26) = ( 0.2232143 0.0000000 -0.0000000), wk = 0.0028736 k( 27) = ( 0.2321429 0.0000000 -0.0000000), wk = 0.0028736 k( 28) = ( 0.2410714 -0.0000000 -0.0000000), wk = 0.0028736 k( 29) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0028736 k( 30) = ( 0.2589286 -0.0000000 -0.0000000), wk = 0.0028736 k( 31) = ( 0.2678571 0.0000000 -0.0000000), wk = 0.0028736 k( 32) = ( 0.2767857 0.0000000 -0.0000000), wk = 0.0028736 k( 33) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0028736 k( 34) = ( 0.2946429 0.0000000 -0.0000000), wk = 0.0028736 k( 35) = ( 0.3035714 0.0000000 -0.0000000), wk = 0.0028736 k( 36) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0028736 k( 37) = ( 0.3214286 0.0000000 -0.0000000), wk = 0.0028736 k( 38) = ( 0.3303571 0.0000000 -0.0000000), wk = 0.0028736 k( 39) = ( 0.3392857 -0.0000000 -0.0000000), wk = 0.0028736 k( 40) = ( 0.3482143 0.0000000 -0.0000000), wk = 0.0028736 k( 41) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0028736 k( 42) = ( 0.3660714 0.0000000 -0.0000000), wk = 0.0028736 k( 43) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0028736 k( 44) = ( 0.3839286 -0.0000000 -0.0000000), wk = 0.0028736 k( 45) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0028736 k( 46) = ( 0.4017857 0.0000000 -0.0000000), wk = 0.0028736 k( 47) = ( 0.4107143 0.0000000 -0.0000000), wk = 0.0028736 k( 48) = ( 0.4196429 0.0000000 -0.0000000), wk = 0.0028736 k( 49) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0028736 k( 50) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0028736 k( 51) = ( 0.4464286 0.0000000 -0.0000000), wk = 0.0028736 k( 52) = ( 0.4553571 -0.0000000 -0.0000000), wk = 0.0028736 k( 53) = ( 0.4642857 0.0000000 -0.0000000), wk = 0.0028736 k( 54) = ( 0.4732143 -0.0000000 -0.0000000), wk = 0.0028736 k( 55) = ( 0.4821429 -0.0000000 -0.0000000), wk = 0.0028736 k( 56) = ( 0.4910714 -0.0000000 -0.0000000), wk = 0.0028736 k( 57) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028736 k( 58) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028736 k( 59) = ( 0.5000000 0.0050743 -0.0050743), wk = 0.0028736 k( 60) = ( 0.5000000 0.0101485 -0.0101485), wk = 0.0028736 k( 61) = ( 0.5000000 0.0152228 -0.0152228), wk = 0.0028736 k( 62) = ( 0.5000000 0.0202971 -0.0202971), wk = 0.0028736 k( 63) = ( 0.5000000 0.0253713 -0.0253713), wk = 0.0028736 k( 64) = ( 0.5000000 0.0304456 -0.0304456), wk = 0.0028736 k( 65) = ( 0.5000000 0.0355199 -0.0355199), wk = 0.0028736 k( 66) = ( 0.5000000 0.0405941 -0.0405942), wk = 0.0028736 k( 67) = ( 0.5000000 0.0456684 -0.0456684), wk = 0.0028736 k( 68) = ( 0.5000000 0.0507427 -0.0507427), wk = 0.0028736 k( 69) = ( 0.5000000 0.0558170 -0.0558170), wk = 0.0028736 k( 70) = ( 0.5000000 0.0608912 -0.0608912), wk = 0.0028736 k( 71) = ( 0.5000000 0.0659655 -0.0659655), wk = 0.0028736 k( 72) = ( 0.5000000 0.0710398 -0.0710398), wk = 0.0028736 k( 73) = ( 0.5000000 0.0761140 -0.0761140), wk = 0.0028736 k( 74) = ( 0.5000000 0.0811883 -0.0811883), wk = 0.0028736 k( 75) = ( 0.5000000 0.0862626 -0.0862626), wk = 0.0028736 k( 76) = ( 0.5000000 0.0913368 -0.0913368), wk = 0.0028736 k( 77) = ( 0.5000000 0.0964111 -0.0964111), wk = 0.0028736 k( 78) = ( 0.5000000 0.1014854 -0.1014854), wk = 0.0028736 k( 79) = ( 0.5000000 0.1065596 -0.1065596), wk = 0.0028736 k( 80) = ( 0.5000000 0.1116339 -0.1116339), wk = 0.0028736 k( 81) = ( 0.5000000 0.1167082 -0.1167082), wk = 0.0028736 k( 82) = ( 0.5000000 0.1217824 -0.1217825), wk = 0.0028736 k( 83) = ( 0.5000000 0.1268567 -0.1268567), wk = 0.0028736 k( 84) = ( 0.5000000 0.1319310 -0.1319310), wk = 0.0028736 k( 85) = ( 0.5000000 0.1370052 -0.1370053), wk = 0.0028736 k( 86) = ( 0.5000000 0.1420795 -0.1420795), wk = 0.0028736 k( 87) = ( 0.5000000 0.1471538 -0.1471538), wk = 0.0028736 k( 88) = ( 0.5000000 0.1522281 -0.1522281), wk = 0.0028736 k( 89) = ( 0.5000000 0.1573023 -0.1573023), wk = 0.0028736 k( 90) = ( 0.5000000 0.1623766 -0.1623766), wk = 0.0028736 k( 91) = ( 0.5000000 0.1674509 -0.1674509), wk = 0.0028736 k( 92) = ( 0.5000000 0.1725251 -0.1725251), wk = 0.0028736 k( 93) = ( 0.8274749 0.5000000 0.1725251), wk = 0.0028736 k( 94) = ( 0.8223581 0.5000000 0.1776419), wk = 0.0028736 k( 95) = ( 0.8172413 0.5000000 0.1827587), wk = 0.0028736 k( 96) = ( 0.8121245 0.5000000 0.1878755), wk = 0.0028736 k( 97) = ( 0.8070077 0.5000000 0.1929923), wk = 0.0028736 k( 98) = ( 0.8018909 0.5000000 0.1981091), wk = 0.0028736 k( 99) = ( 0.7967741 0.5000000 0.2032259), wk = 0.0028736 k( 100) = ( 0.7916573 0.5000000 0.2083427), wk = 0.0028736 k( 101) = ( 0.7865405 0.5000000 0.2134595), wk = 0.0028736 k( 102) = ( 0.7814237 0.5000000 0.2185763), wk = 0.0028736 k( 103) = ( 0.7763069 0.5000000 0.2236931), wk = 0.0028736 k( 104) = ( 0.7711901 0.5000000 0.2288099), wk = 0.0028736 k( 105) = ( 0.7660733 0.5000000 0.2339267), wk = 0.0028736 k( 106) = ( 0.7609565 0.5000000 0.2390435), wk = 0.0028736 k( 107) = ( 0.7558397 0.5000000 0.2441603), wk = 0.0028736 k( 108) = ( 0.7507229 0.5000000 0.2492771), wk = 0.0028736 k( 109) = ( 0.7456061 0.5000000 0.2543938), wk = 0.0028736 k( 110) = ( 0.7404894 0.5000000 0.2595106), wk = 0.0028736 k( 111) = ( 0.7353726 0.5000000 0.2646274), wk = 0.0028736 k( 112) = ( 0.7302558 0.5000000 0.2697442), wk = 0.0028736 k( 113) = ( 0.7251390 0.5000000 0.2748610), wk = 0.0028736 k( 114) = ( 0.7200222 0.5000000 0.2799778), wk = 0.0028736 k( 115) = ( 0.7149054 0.5000000 0.2850946), wk = 0.0028736 k( 116) = ( 0.7097886 0.5000000 0.2902114), wk = 0.0028736 k( 117) = ( 0.7046718 0.5000000 0.2953282), wk = 0.0028736 k( 118) = ( 0.6995550 0.5000000 0.3004450), wk = 0.0028736 k( 119) = ( 0.6944382 0.5000000 0.3055618), wk = 0.0028736 k( 120) = ( 0.6893214 0.5000000 0.3106786), wk = 0.0028736 k( 121) = ( 0.6842046 0.5000000 0.3157954), wk = 0.0028736 k( 122) = ( 0.6790878 0.5000000 0.3209122), wk = 0.0028736 k( 123) = ( 0.6739710 0.5000000 0.3260290), wk = 0.0028736 k( 124) = ( 0.6688542 0.5000000 0.3311458), wk = 0.0028736 k( 125) = ( 0.6637374 0.5000000 0.3362626), wk = 0.0028736 k( 126) = ( 0.6586206 0.5000000 0.3413794), wk = 0.0028736 k( 127) = ( 0.6535038 0.5000000 0.3464962), wk = 0.0028736 k( 128) = ( 0.6483870 0.5000000 0.3516129), wk = 0.0028736 k( 129) = ( 0.6432703 0.5000000 0.3567297), wk = 0.0028736 k( 130) = ( 0.6381535 0.5000000 0.3618465), wk = 0.0028736 k( 131) = ( 0.6330367 0.5000000 0.3669633), wk = 0.0028736 k( 132) = ( 0.6279199 0.5000000 0.3720801), wk = 0.0028736 k( 133) = ( 0.6228031 0.5000000 0.3771969), wk = 0.0028736 k( 134) = ( 0.6176863 0.5000000 0.3823137), wk = 0.0028736 k( 135) = ( 0.6125695 0.5000000 0.3874305), wk = 0.0028736 k( 136) = ( 0.6074527 0.5000000 0.3925473), wk = 0.0028736 k( 137) = ( 0.6023359 0.5000000 0.3976641), wk = 0.0028736 k( 138) = ( 0.5972191 0.5000000 0.4027809), wk = 0.0028736 k( 139) = ( 0.5921023 0.5000000 0.4078977), wk = 0.0028736 k( 140) = ( 0.5869855 0.5000000 0.4130145), wk = 0.0028736 k( 141) = ( 0.5818687 0.5000000 0.4181313), wk = 0.0028736 k( 142) = ( 0.5767519 0.5000000 0.4232481), wk = 0.0028736 k( 143) = ( 0.5716351 0.5000000 0.4283649), wk = 0.0028736 k( 144) = ( 0.5665183 0.5000000 0.4334817), wk = 0.0028736 k( 145) = ( 0.5614015 0.5000000 0.4385985), wk = 0.0028736 k( 146) = ( 0.5562847 0.5000000 0.4437153), wk = 0.0028736 k( 147) = ( 0.5511679 0.5000000 0.4488320), wk = 0.0028736 k( 148) = ( 0.5460512 0.5000000 0.4539489), wk = 0.0028736 k( 149) = ( 0.5409344 0.5000000 0.4590656), wk = 0.0028736 k( 150) = ( 0.5358176 0.5000000 0.4641824), wk = 0.0028736 k( 151) = ( 0.5307008 0.5000000 0.4692992), wk = 0.0028736 k( 152) = ( 0.5255840 0.5000000 0.4744160), wk = 0.0028736 k( 153) = ( 0.5204672 0.5000000 0.4795328), wk = 0.0028736 k( 154) = ( 0.5153504 0.5000000 0.4846496), wk = 0.0028736 k( 155) = ( 0.5102336 0.5000000 0.4897664), wk = 0.0028736 k( 156) = ( 0.5051168 0.5000000 0.4948832), wk = 0.0028736 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 159) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0028736 k( 160) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0028736 k( 161) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0028736 k( 162) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0028736 k( 163) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0028736 k( 164) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0028736 k( 165) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0028736 k( 166) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028736 k( 167) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0028736 k( 168) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0028736 k( 169) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0028736 k( 170) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0028736 k( 171) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0028736 k( 172) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0028736 k( 173) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0028736 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 176) = ( 0.0051733 0.0000000 -0.0051733), wk = 0.0028736 k( 177) = ( 0.0103465 0.0000000 -0.0103465), wk = 0.0028736 k( 178) = ( 0.0155198 -0.0000000 -0.0155198), wk = 0.0028736 k( 179) = ( 0.0206931 0.0000000 -0.0206931), wk = 0.0028736 k( 180) = ( 0.0258663 0.0000000 -0.0258663), wk = 0.0028736 k( 181) = ( 0.0310396 -0.0000000 -0.0310396), wk = 0.0028736 k( 182) = ( 0.0362129 0.0000000 -0.0362129), wk = 0.0028736 k( 183) = ( 0.0413862 0.0000000 -0.0413862), wk = 0.0028736 k( 184) = ( 0.0465594 -0.0000000 -0.0465594), wk = 0.0028736 k( 185) = ( 0.0517327 0.0000000 -0.0517327), wk = 0.0028736 k( 186) = ( 0.0569060 0.0000000 -0.0569060), wk = 0.0028736 k( 187) = ( 0.0620792 -0.0000000 -0.0620792), wk = 0.0028736 k( 188) = ( 0.0672525 -0.0000000 -0.0672525), wk = 0.0028736 k( 189) = ( 0.0724258 0.0000000 -0.0724258), wk = 0.0028736 k( 190) = ( 0.0775991 0.0000000 -0.0775991), wk = 0.0028736 k( 191) = ( 0.0827723 0.0000000 -0.0827723), wk = 0.0028736 k( 192) = ( 0.0879456 0.0000000 -0.0879456), wk = 0.0028736 k( 193) = ( 0.0931189 -0.0000000 -0.0931189), wk = 0.0028736 k( 194) = ( 0.0982921 -0.0000000 -0.0982921), wk = 0.0028736 k( 195) = ( 0.1034654 0.0000000 -0.1034654), wk = 0.0028736 k( 196) = ( 0.1086387 -0.0000000 -0.1086387), wk = 0.0028736 k( 197) = ( 0.1138119 -0.0000000 -0.1138120), wk = 0.0028736 k( 198) = ( 0.1189852 0.0000000 -0.1189852), wk = 0.0028736 k( 199) = ( 0.1241585 0.0000000 -0.1241585), wk = 0.0028736 k( 200) = ( 0.1293318 -0.0000000 -0.1293318), wk = 0.0028736 k( 201) = ( 0.1345050 0.0000000 -0.1345050), wk = 0.0028736 k( 202) = ( 0.1396783 0.0000000 -0.1396783), wk = 0.0028736 k( 203) = ( 0.1448516 0.0000000 -0.1448516), wk = 0.0028736 k( 204) = ( 0.1500248 0.0000000 -0.1500248), wk = 0.0028736 k( 205) = ( 0.1551981 0.0000000 -0.1551981), wk = 0.0028736 k( 206) = ( 0.1603714 0.0000000 -0.1603714), wk = 0.0028736 k( 207) = ( 0.1655446 0.0000000 -0.1655446), wk = 0.0028736 k( 208) = ( 0.1707179 -0.0000000 -0.1707179), wk = 0.0028736 k( 209) = ( 0.1758912 0.0000000 -0.1758912), wk = 0.0028736 k( 210) = ( 0.1810645 -0.0000000 -0.1810645), wk = 0.0028736 k( 211) = ( 0.1862377 -0.0000000 -0.1862377), wk = 0.0028736 k( 212) = ( 0.1914110 -0.0000000 -0.1914110), wk = 0.0028736 k( 213) = ( 0.1965843 -0.0000000 -0.1965843), wk = 0.0028736 k( 214) = ( 0.2017575 -0.0000000 -0.2017575), wk = 0.0028736 k( 215) = ( 0.2069308 0.0000000 -0.2069308), wk = 0.0028736 k( 216) = ( 0.2121041 0.0000000 -0.2121041), wk = 0.0028736 k( 217) = ( 0.2172774 -0.0000000 -0.2172774), wk = 0.0028736 k( 218) = ( 0.2224506 0.0000000 -0.2224506), wk = 0.0028736 k( 219) = ( 0.2276239 0.0000000 -0.2276239), wk = 0.0028736 k( 220) = ( 0.2327972 -0.0000000 -0.2327972), wk = 0.0028736 k( 221) = ( 0.2379704 0.0000000 -0.2379704), wk = 0.0028736 k( 222) = ( 0.2431437 -0.0000000 -0.2431437), wk = 0.0028736 k( 223) = ( 0.2483170 0.0000000 -0.2483170), wk = 0.0028736 k( 224) = ( 0.2534902 -0.0000000 -0.2534902), wk = 0.0028736 k( 225) = ( 0.2586635 -0.0000000 -0.2586635), wk = 0.0028736 k( 226) = ( 0.2638368 0.0000000 -0.2638368), wk = 0.0028736 k( 227) = ( 0.2690101 -0.0000000 -0.2690101), wk = 0.0028736 k( 228) = ( 0.2741833 0.0000000 -0.2741833), wk = 0.0028736 k( 229) = ( 0.2793566 0.0000000 -0.2793566), wk = 0.0028736 k( 230) = ( 0.2845299 -0.0000000 -0.2845299), wk = 0.0028736 k( 231) = ( 0.2897031 -0.0000000 -0.2897031), wk = 0.0028736 k( 232) = ( 0.2948764 -0.0000000 -0.2948764), wk = 0.0028736 k( 233) = ( 0.3000497 0.0000000 -0.3000497), wk = 0.0028736 k( 234) = ( 0.3052229 0.0000000 -0.3052229), wk = 0.0028736 k( 235) = ( 0.3103962 0.0000000 -0.3103962), wk = 0.0028736 k( 236) = ( 0.3155695 -0.0000000 -0.3155695), wk = 0.0028736 k( 237) = ( 0.3207428 0.0000000 -0.3207428), wk = 0.0028736 k( 238) = ( 0.3259160 0.0000000 -0.3259160), wk = 0.0028736 k( 239) = ( 0.3310893 0.0000000 -0.3310893), wk = 0.0028736 k( 240) = ( 0.3362626 -0.0000000 -0.3362626), wk = 0.0028736 k( 241) = ( 0.6637374 0.3362626 -0.0000000), wk = 0.0028736 k( 242) = ( 0.6586206 0.3413794 -0.0000000), wk = 0.0028736 k( 243) = ( 0.6535038 0.3464962 -0.0000000), wk = 0.0028736 k( 244) = ( 0.6483870 0.3516130 -0.0000000), wk = 0.0028736 k( 245) = ( 0.6432703 0.3567298 -0.0000000), wk = 0.0028736 k( 246) = ( 0.6381535 0.3618465 -0.0000000), wk = 0.0028736 k( 247) = ( 0.6330367 0.3669633 -0.0000000), wk = 0.0028736 k( 248) = ( 0.6279199 0.3720801 -0.0000000), wk = 0.0028736 k( 249) = ( 0.6228031 0.3771969 -0.0000000), wk = 0.0028736 k( 250) = ( 0.6176863 0.3823137 -0.0000000), wk = 0.0028736 k( 251) = ( 0.6125695 0.3874305 -0.0000000), wk = 0.0028736 k( 252) = ( 0.6074527 0.3925473 -0.0000000), wk = 0.0028736 k( 253) = ( 0.6023359 0.3976641 -0.0000000), wk = 0.0028736 k( 254) = ( 0.5972191 0.4027809 -0.0000000), wk = 0.0028736 k( 255) = ( 0.5921023 0.4078977 -0.0000000), wk = 0.0028736 k( 256) = ( 0.5869855 0.4130145 -0.0000000), wk = 0.0028736 k( 257) = ( 0.5818687 0.4181313 -0.0000000), wk = 0.0028736 k( 258) = ( 0.5767519 0.4232481 -0.0000000), wk = 0.0028736 k( 259) = ( 0.5716351 0.4283649 -0.0000000), wk = 0.0028736 k( 260) = ( 0.5665183 0.4334817 -0.0000000), wk = 0.0028736 k( 261) = ( 0.5614015 0.4385985 -0.0000000), wk = 0.0028736 k( 262) = ( 0.5562847 0.4437153 -0.0000000), wk = 0.0028736 k( 263) = ( 0.5511679 0.4488320 -0.0000000), wk = 0.0028736 k( 264) = ( 0.5460512 0.4539489 -0.0000000), wk = 0.0028736 k( 265) = ( 0.5409344 0.4590656 -0.0000000), wk = 0.0028736 k( 266) = ( 0.5358176 0.4641824 -0.0000000), wk = 0.0028736 k( 267) = ( 0.5307008 0.4692992 -0.0000000), wk = 0.0028736 k( 268) = ( 0.5255840 0.4744160 -0.0000000), wk = 0.0028736 k( 269) = ( 0.5204672 0.4795328 -0.0000000), wk = 0.0028736 k( 270) = ( 0.5153504 0.4846496 -0.0000000), wk = 0.0028736 k( 271) = ( 0.5102336 0.4897664 -0.0000000), wk = 0.0028736 k( 272) = ( 0.5051168 0.4948832 -0.0000000), wk = 0.0028736 k( 273) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 274) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 275) = ( 0.5272896 0.5272896 0.0287542), wk = 0.0028736 k( 276) = ( 0.5545791 0.5545791 0.0575084), wk = 0.0028736 k( 277) = ( 0.5818687 0.5818687 0.0862626), wk = 0.0028736 k( 278) = ( 0.6091583 0.6091583 0.1150168), wk = 0.0028736 k( 279) = ( 0.6364479 0.6364479 0.1437709), wk = 0.0028736 k( 280) = ( 0.6637374 0.6637374 0.1725251), wk = 0.0028736 k( 281) = ( 0.6637374 0.6637374 0.1725251), wk = 0.0028736 k( 282) = ( 0.6607604 0.6607604 0.1784792), wk = 0.0028736 k( 283) = ( 0.6577833 0.6577833 0.1844333), wk = 0.0028736 k( 284) = ( 0.6548063 0.6548063 0.1903874), wk = 0.0028736 k( 285) = ( 0.6518293 0.6518293 0.1963415), wk = 0.0028736 k( 286) = ( 0.6488522 0.6488522 0.2022956), wk = 0.0028736 k( 287) = ( 0.6458752 0.6458752 0.2082497), wk = 0.0028736 k( 288) = ( 0.6428981 0.6428981 0.2142037), wk = 0.0028736 k( 289) = ( 0.6399211 0.6399211 0.2201578), wk = 0.0028736 k( 290) = ( 0.6369440 0.6369440 0.2261119), wk = 0.0028736 k( 291) = ( 0.6339670 0.6339670 0.2320660), wk = 0.0028736 k( 292) = ( 0.6309900 0.6309900 0.2380201), wk = 0.0028736 k( 293) = ( 0.6280129 0.6280129 0.2439742), wk = 0.0028736 k( 294) = ( 0.6250359 0.6250359 0.2499283), wk = 0.0028736 k( 295) = ( 0.6220588 0.6220588 0.2558824), wk = 0.0028736 k( 296) = ( 0.6190818 0.6190818 0.2618365), wk = 0.0028736 k( 297) = ( 0.6161047 0.6161047 0.2677905), wk = 0.0028736 k( 298) = ( 0.6131277 0.6131277 0.2737446), wk = 0.0028736 k( 299) = ( 0.6101506 0.6101506 0.2796987), wk = 0.0028736 k( 300) = ( 0.6071736 0.6071736 0.2856528), wk = 0.0028736 k( 301) = ( 0.6041966 0.6041966 0.2916069), wk = 0.0028736 k( 302) = ( 0.6012195 0.6012195 0.2975610), wk = 0.0028736 k( 303) = ( 0.5982425 0.5982425 0.3035151), wk = 0.0028736 k( 304) = ( 0.5952654 0.5952654 0.3094692), wk = 0.0028736 k( 305) = ( 0.5922884 0.5922884 0.3154233), wk = 0.0028736 k( 306) = ( 0.5893113 0.5893113 0.3213773), wk = 0.0028736 k( 307) = ( 0.5863343 0.5863343 0.3273314), wk = 0.0028736 k( 308) = ( 0.5833572 0.5833572 0.3332855), wk = 0.0028736 k( 309) = ( 0.5803802 0.5803802 0.3392396), wk = 0.0028736 k( 310) = ( 0.5774031 0.5774031 0.3451937), wk = 0.0028736 k( 311) = ( 0.5744261 0.5744261 0.3511478), wk = 0.0028736 k( 312) = ( 0.5714491 0.5714491 0.3571019), wk = 0.0028736 k( 313) = ( 0.5684720 0.5684720 0.3630560), wk = 0.0028736 k( 314) = ( 0.5654950 0.5654950 0.3690100), wk = 0.0028736 k( 315) = ( 0.5625179 0.5625179 0.3749641), wk = 0.0028736 k( 316) = ( 0.5595409 0.5595409 0.3809182), wk = 0.0028736 k( 317) = ( 0.5565638 0.5565638 0.3868723), wk = 0.0028736 k( 318) = ( 0.5535868 0.5535868 0.3928264), wk = 0.0028736 k( 319) = ( 0.5506098 0.5506098 0.3987805), wk = 0.0028736 k( 320) = ( 0.5476327 0.5476327 0.4047346), wk = 0.0028736 k( 321) = ( 0.5446557 0.5446557 0.4106887), wk = 0.0028736 k( 322) = ( 0.5416786 0.5416786 0.4166428), wk = 0.0028736 k( 323) = ( 0.5387016 0.5387016 0.4225969), wk = 0.0028736 k( 324) = ( 0.5357245 0.5357245 0.4285509), wk = 0.0028736 k( 325) = ( 0.5327475 0.5327475 0.4345050), wk = 0.0028736 k( 326) = ( 0.5297704 0.5297704 0.4404591), wk = 0.0028736 k( 327) = ( 0.5267934 0.5267934 0.4464132), wk = 0.0028736 k( 328) = ( 0.5238164 0.5238164 0.4523673), wk = 0.0028736 k( 329) = ( 0.5208393 0.5208393 0.4583214), wk = 0.0028736 k( 330) = ( 0.5178623 0.5178623 0.4642755), wk = 0.0028736 k( 331) = ( 0.5148852 0.5148852 0.4702296), wk = 0.0028736 k( 332) = ( 0.5119082 0.5119082 0.4761837), wk = 0.0028736 k( 333) = ( 0.5089311 0.5089311 0.4821377), wk = 0.0028736 k( 334) = ( 0.5059541 0.5059541 0.4880918), wk = 0.0028736 k( 335) = ( 0.5029770 0.5029770 0.4940459), wk = 0.0028736 k( 336) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 337) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028736 k( 338) = ( 0.5297704 0.0305693 0.0305693), wk = 0.0028736 k( 339) = ( 0.5595409 0.0611386 0.0611386), wk = 0.0028736 k( 340) = ( 0.5893113 0.0917080 0.0917080), wk = 0.0028736 k( 341) = ( 0.6190818 0.1222773 0.1222773), wk = 0.0028736 k( 342) = ( 0.6488522 0.1528466 0.1528466), wk = 0.0028736 k( 343) = ( 0.6786226 0.1834160 0.1834159), wk = 0.0028736 k( 344) = ( 0.7083931 0.2139853 0.2139853), wk = 0.0028736 k( 345) = ( 0.7381635 0.2445546 0.2445546), wk = 0.0028736 k( 346) = ( 0.7679340 0.2751239 0.2751239), wk = 0.0028736 k( 347) = ( 0.7977044 0.3056932 0.3056932), wk = 0.0028736 k( 348) = ( 0.8274749 0.3362626 0.3362626), wk = 0.0028736 Dense grid: 84835 G-vectors FFT dimensions: ( 125, 125, 125) Smooth grid: 30495 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 104, 58) NL pseudopotentials 0.15 Mb ( 52, 192) Each V/rho on FFT grid 0.48 Mb ( 31250) Each G-vector array 0.01 Mb ( 1179) G-vector shells 0.01 Mb ( 1053) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.37 Mb ( 104, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.34 Mb ( 192, 2, 58) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./ScAlCO.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 8.6 secs Computing kpt #: 2 total cpu time spent up to now is 14.8 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 20.4 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 26.5 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 32.6 secs Computing kpt #: 6 total cpu time spent up to now is 39.4 secs Computing kpt #: 7 total cpu time spent up to now is 45.4 secs Computing kpt #: 8 total cpu time spent up to now is 50.2 secs Computing kpt #: 9 total cpu time spent up to now is 53.8 secs Computing kpt #: 10 total cpu time spent up to now is 57.6 secs Computing kpt #: 11 total cpu time spent up to now is 61.7 secs Computing kpt #: 12 total cpu time spent up to now is 65.0 secs Computing kpt #: 13 total cpu time spent up to now is 68.1 secs Computing kpt #: 14 total cpu time spent up to now is 72.5 secs Computing kpt #: 15 total cpu time spent up to now is 75.6 secs Computing kpt #: 16 total cpu time spent up to now is 79.0 secs Computing kpt #: 17 total cpu time spent up to now is 82.0 secs Computing kpt #: 18 total cpu time spent up to now is 85.5 secs Computing kpt #: 19 total cpu time spent up to now is 88.7 secs Computing kpt #: 20 total cpu time spent up to now is 92.3 secs Computing kpt #: 21 total cpu time spent up to now is 95.7 secs Computing kpt #: 22 total cpu time spent up to now is 99.5 secs Computing kpt #: 23 total cpu time spent up to now is 103.2 secs Computing kpt #: 24 total cpu time spent up to now is 106.8 secs Computing kpt #: 25 total cpu time spent up to now is 109.4 secs Computing kpt #: 26 total cpu time spent up to now is 112.5 secs Computing kpt #: 27 total cpu time spent up to now is 115.2 secs Computing kpt #: 28 total cpu time spent up to now is 118.1 secs Computing kpt #: 29 total cpu time spent up to now is 121.2 secs Computing kpt #: 30 total cpu time spent up to now is 123.9 secs Computing kpt #: 31 total cpu time spent up to now is 127.0 secs Computing kpt #: 32 total cpu time spent up to now is 132.2 secs Computing kpt #: 33 total cpu time spent up to now is 136.8 secs Computing kpt #: 34 total cpu time spent up to now is 140.1 secs Computing kpt #: 35 total cpu time spent up to now is 145.2 secs Computing kpt #: 36 total cpu time spent up to now is 150.0 secs Computing kpt #: 37 total cpu time spent up to now is 156.2 secs Computing kpt #: 38 total cpu time spent up to now is 162.0 secs Computing kpt #: 39 total cpu time spent up to now is 167.8 secs Computing kpt #: 40 total cpu time spent up to now is 174.1 secs Computing kpt #: 41 total cpu time spent up to now is 179.9 secs Computing kpt #: 42 total cpu time spent up to now is 185.7 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 192.1 secs Computing kpt #: 44 total cpu time spent up to now is 197.9 secs Computing kpt #: 45 total cpu time spent up to now is 204.6 secs Computing kpt #: 46 total cpu time spent up to now is 210.4 secs Computing kpt #: 47 total cpu time spent up to now is 216.2 secs Computing kpt #: 48 total cpu time spent up to now is 222.8 secs Computing kpt #: 49 total cpu time spent up to now is 228.5 secs Computing kpt #: 50 total cpu time spent up to now is 234.8 secs Computing kpt #: 51 total cpu time spent up to now is 239.6 secs Computing kpt #: 52 total cpu time spent up to now is 244.5 secs Computing kpt #: 53 total cpu time spent up to now is 249.2 secs Computing kpt #: 54 total cpu time spent up to now is 253.6 secs Computing kpt #: 55 total cpu time spent up to now is 258.0 secs Computing kpt #: 56 total cpu time spent up to now is 263.2 secs Computing kpt #: 57 total cpu time spent up to now is 267.6 secs Computing kpt #: 58 total cpu time spent up to now is 272.7 secs Computing kpt #: 59 total cpu time spent up to now is 277.2 secs Computing kpt #: 60 total cpu time spent up to now is 282.0 secs Computing kpt #: 61 total cpu time spent up to now is 286.8 secs Computing kpt #: 62 total cpu time spent up to now is 291.6 secs Computing kpt #: 63 total cpu time spent up to now is 296.6 secs Computing kpt #: 64 total cpu time spent up to now is 301.9 secs Computing kpt #: 65 total cpu time spent up to now is 307.0 secs Computing kpt #: 66 total cpu time spent up to now is 313.6 secs Computing kpt #: 67 total cpu time spent up to now is 319.6 secs Computing kpt #: 68 total cpu time spent up to now is 325.4 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 331.1 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 336.9 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 342.7 secs Computing kpt #: 72 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 348.6 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 354.8 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.6 secs Computing kpt #: 75 total cpu time spent up to now is 367.0 secs Computing kpt #: 76 total cpu time spent up to now is 373.1 secs Computing kpt #: 77 total cpu time spent up to now is 377.7 secs Computing kpt #: 78 total cpu time spent up to now is 384.1 secs Computing kpt #: 79 total cpu time spent up to now is 388.4 secs Computing kpt #: 80 total cpu time spent up to now is 392.8 secs Computing kpt #: 81 total cpu time spent up to now is 396.9 secs Computing kpt #: 82 total cpu time spent up to now is 401.0 secs Computing kpt #: 83 total cpu time spent up to now is 404.5 secs Computing kpt #: 84 total cpu time spent up to now is 408.4 secs Computing kpt #: 85 total cpu time spent up to now is 411.9 secs Computing kpt #: 86 total cpu time spent up to now is 415.4 secs Computing kpt #: 87 total cpu time spent up to now is 419.3 secs Computing kpt #: 88 total cpu time spent up to now is 421.9 secs Computing kpt #: 89 total cpu time spent up to now is 424.8 secs Computing kpt #: 90 total cpu time spent up to now is 428.2 secs Computing kpt #: 91 total cpu time spent up to now is 431.8 secs Computing kpt #: 92 total cpu time spent up to now is 435.1 secs Computing kpt #: 93 total cpu time spent up to now is 438.7 secs Computing kpt #: 94 total cpu time spent up to now is 441.5 secs Computing kpt #: 95 total cpu time spent up to now is 444.9 secs Computing kpt #: 96 total cpu time spent up to now is 448.1 secs Computing kpt #: 97 total cpu time spent up to now is 451.5 secs Computing kpt #: 98 total cpu time spent up to now is 454.8 secs Computing kpt #: 99 total cpu time spent up to now is 458.1 secs Computing kpt #: 100 total cpu time spent up to now is 461.2 secs Computing kpt #: 101 total cpu time spent up to now is 464.5 secs Computing kpt #: 102 total cpu time spent up to now is 467.5 secs Computing kpt #: 103 total cpu time spent up to now is 470.8 secs Computing kpt #: 104 total cpu time spent up to now is 474.4 secs Computing kpt #: 105 total cpu time spent up to now is 477.8 secs Computing kpt #: 106 total cpu time spent up to now is 480.8 secs Computing kpt #: 107 total cpu time spent up to now is 483.7 secs Computing kpt #: 108 total cpu time spent up to now is 486.6 secs Computing kpt #: 109 total cpu time spent up to now is 489.6 secs Computing kpt #: 110 total cpu time spent up to now is 492.5 secs Computing kpt #: 111 total cpu time spent up to now is 495.3 secs Computing kpt #: 112 total cpu time spent up to now is 498.6 secs Computing kpt #: 113 total cpu time spent up to now is 501.6 secs Computing kpt #: 114 total cpu time spent up to now is 506.2 secs Computing kpt #: 115 total cpu time spent up to now is 509.2 secs Computing kpt #: 116 total cpu time spent up to now is 511.8 secs Computing kpt #: 117 total cpu time spent up to now is 514.4 secs Computing kpt #: 118 total cpu time spent up to now is 517.2 secs Computing kpt #: 119 total cpu time spent up to now is 520.6 secs Computing kpt #: 120 total cpu time spent up to now is 523.2 secs Computing kpt #: 121 total cpu time spent up to now is 525.9 secs Computing kpt #: 122 total cpu time spent up to now is 528.9 secs Computing kpt #: 123 total cpu time spent up to now is 531.9 secs Computing kpt #: 124 total cpu time spent up to now is 535.0 secs Computing kpt #: 125 total cpu time spent up to now is 537.8 secs Computing kpt #: 126 total cpu time spent up to now is 540.5 secs Computing kpt #: 127 total cpu time spent up to now is 543.9 secs Computing kpt #: 128 total cpu time spent up to now is 546.9 secs Computing kpt #: 129 total cpu time spent up to now is 549.8 secs Computing kpt #: 130 total cpu time spent up to now is 552.7 secs Computing kpt #: 131 total cpu time spent up to now is 555.4 secs Computing kpt #: 132 total cpu time spent up to now is 558.3 secs Computing kpt #: 133 total cpu time spent up to now is 561.2 secs Computing kpt #: 134 total cpu time spent up to now is 564.1 secs Computing kpt #: 135 total cpu time spent up to now is 566.8 secs Computing kpt #: 136 total cpu time spent up to now is 569.3 secs Computing kpt #: 137 total cpu time spent up to now is 572.2 secs Computing kpt #: 138 total cpu time spent up to now is 575.2 secs Computing kpt #: 139 total cpu time spent up to now is 578.3 secs Computing kpt #: 140 total cpu time spent up to now is 581.5 secs Computing kpt #: 141 total cpu time spent up to now is 584.7 secs Computing kpt #: 142 total cpu time spent up to now is 588.4 secs Computing kpt #: 143 total cpu time spent up to now is 591.8 secs Computing kpt #: 144 total cpu time spent up to now is 594.9 secs Computing kpt #: 145 total cpu time spent up to now is 597.5 secs Computing kpt #: 146 total cpu time spent up to now is 600.1 secs Computing kpt #: 147 total cpu time spent up to now is 602.9 secs Computing kpt #: 148 total cpu time spent up to now is 605.9 secs Computing kpt #: 149 total cpu time spent up to now is 608.8 secs Computing kpt #: 150 total cpu time spent up to now is 611.9 secs Computing kpt #: 151 total cpu time spent up to now is 614.7 secs Computing kpt #: 152 total cpu time spent up to now is 618.0 secs Computing kpt #: 153 total cpu time spent up to now is 621.6 secs Computing kpt #: 154 total cpu time spent up to now is 625.2 secs Computing kpt #: 155 total cpu time spent up to now is 628.6 secs Computing kpt #: 156 total cpu time spent up to now is 632.2 secs Computing kpt #: 157 total cpu time spent up to now is 635.3 secs Computing kpt #: 158 total cpu time spent up to now is 638.5 secs Computing kpt #: 159 total cpu time spent up to now is 641.7 secs Computing kpt #: 160 total cpu time spent up to now is 644.8 secs Computing kpt #: 161 total cpu time spent up to now is 647.7 secs Computing kpt #: 162 total cpu time spent up to now is 650.8 secs Computing kpt #: 163 total cpu time spent up to now is 653.6 secs Computing kpt #: 164 total cpu time spent up to now is 656.9 secs Computing kpt #: 165 total cpu time spent up to now is 661.8 secs Computing kpt #: 166 total cpu time spent up to now is 664.9 secs Computing kpt #: 167 total cpu time spent up to now is 667.7 secs Computing kpt #: 168 total cpu time spent up to now is 670.6 secs Computing kpt #: 169 total cpu time spent up to now is 673.5 secs Computing kpt #: 170 total cpu time spent up to now is 676.5 secs Computing kpt #: 171 total cpu time spent up to now is 679.8 secs Computing kpt #: 172 total cpu time spent up to now is 682.7 secs Computing kpt #: 173 total cpu time spent up to now is 685.9 secs Computing kpt #: 174 total cpu time spent up to now is 689.1 secs Computing kpt #: 175 total cpu time spent up to now is 691.0 secs Computing kpt #: 176 total cpu time spent up to now is 695.7 secs Computing kpt #: 177 total cpu time spent up to now is 700.4 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 705.3 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 710.3 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 715.2 secs Computing kpt #: 181 total cpu time spent up to now is 718.8 secs Computing kpt #: 182 total cpu time spent up to now is 722.0 secs Computing kpt #: 183 total cpu time spent up to now is 725.1 secs Computing kpt #: 184 total cpu time spent up to now is 728.5 secs Computing kpt #: 185 total cpu time spent up to now is 731.5 secs Computing kpt #: 186 total cpu time spent up to now is 734.6 secs Computing kpt #: 187 total cpu time spent up to now is 737.7 secs Computing kpt #: 188 total cpu time spent up to now is 740.8 secs Computing kpt #: 189 total cpu time spent up to now is 744.1 secs Computing kpt #: 190 total cpu time spent up to now is 747.1 secs Computing kpt #: 191 total cpu time spent up to now is 750.5 secs Computing kpt #: 192 total cpu time spent up to now is 753.1 secs Computing kpt #: 193 total cpu time spent up to now is 755.9 secs Computing kpt #: 194 total cpu time spent up to now is 758.6 secs Computing kpt #: 195 total cpu time spent up to now is 761.2 secs Computing kpt #: 196 total cpu time spent up to now is 764.8 secs Computing kpt #: 197 total cpu time spent up to now is 767.1 secs Computing kpt #: 198 total cpu time spent up to now is 769.7 secs Computing kpt #: 199 total cpu time spent up to now is 771.9 secs Computing kpt #: 200 total cpu time spent up to now is 776.3 secs Computing kpt #: 201 total cpu time spent up to now is 778.7 secs Computing kpt #: 202 total cpu time spent up to now is 781.5 secs Computing kpt #: 203 total cpu time spent up to now is 783.8 secs Computing kpt #: 204 total cpu time spent up to now is 786.0 secs Computing kpt #: 205 total cpu time spent up to now is 788.8 secs Computing kpt #: 206 total cpu time spent up to now is 791.4 secs Computing kpt #: 207 total cpu time spent up to now is 793.8 secs Computing kpt #: 208 total cpu time spent up to now is 800.3 secs Computing kpt #: 209 total cpu time spent up to now is 802.6 secs Computing kpt #: 210 total cpu time spent up to now is 805.0 secs Computing kpt #: 211 total cpu time spent up to now is 808.5 secs Computing kpt #: 212 total cpu time spent up to now is 811.0 secs Computing kpt #: 213 total cpu time spent up to now is 814.6 secs Computing kpt #: 214 total cpu time spent up to now is 817.0 secs Computing kpt #: 215 total cpu time spent up to now is 819.5 secs Computing kpt #: 216 total cpu time spent up to now is 822.1 secs Computing kpt #: 217 total cpu time spent up to now is 825.3 secs Computing kpt #: 218 total cpu time spent up to now is 828.2 secs Computing kpt #: 219 total cpu time spent up to now is 831.3 secs Computing kpt #: 220 total cpu time spent up to now is 834.3 secs Computing kpt #: 221 total cpu time spent up to now is 837.1 secs Computing kpt #: 222 total cpu time spent up to now is 842.7 secs Computing kpt #: 223 total cpu time spent up to now is 849.5 secs Computing kpt #: 224 total cpu time spent up to now is 853.0 secs Computing kpt #: 225 total cpu time spent up to now is 856.7 secs Computing kpt #: 226 total cpu time spent up to now is 860.1 secs Computing kpt #: 227 total cpu time spent up to now is 863.8 secs Computing kpt #: 228 total cpu time spent up to now is 868.6 secs Computing kpt #: 229 total cpu time spent up to now is 871.7 secs Computing kpt #: 230 total cpu time spent up to now is 876.1 secs Computing kpt #: 231 total cpu time spent up to now is 880.0 secs Computing kpt #: 232 total cpu time spent up to now is 884.1 secs Computing kpt #: 233 total cpu time spent up to now is 888.3 secs Computing kpt #: 234 total cpu time spent up to now is 891.7 secs Computing kpt #: 235 total cpu time spent up to now is 895.2 secs Computing kpt #: 236 total cpu time spent up to now is 900.4 secs Computing kpt #: 237 total cpu time spent up to now is 903.7 secs Computing kpt #: 238 total cpu time spent up to now is 906.8 secs Computing kpt #: 239 total cpu time spent up to now is 909.6 secs Computing kpt #: 240 total cpu time spent up to now is 912.7 secs Computing kpt #: 241 total cpu time spent up to now is 915.8 secs Computing kpt #: 242 total cpu time spent up to now is 922.2 secs Computing kpt #: 243 total cpu time spent up to now is 928.2 secs Computing kpt #: 244 total cpu time spent up to now is 931.3 secs Computing kpt #: 245 total cpu time spent up to now is 935.9 secs Computing kpt #: 246 total cpu time spent up to now is 938.0 secs Computing kpt #: 247 total cpu time spent up to now is 941.8 secs Computing kpt #: 248 total cpu time spent up to now is 948.0 secs Computing kpt #: 249 total cpu time spent up to now is 954.2 secs Computing kpt #: 250 total cpu time spent up to now is 958.4 secs Computing kpt #: 251 total cpu time spent up to now is 962.4 secs Computing kpt #: 252 total cpu time spent up to now is 966.8 secs Computing kpt #: 253 total cpu time spent up to now is 971.6 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 976.8 secs Computing kpt #: 255 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 984.2 secs Computing kpt #: 256 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 989.4 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 994.7 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1000.5 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1007.9 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1013.2 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1018.7 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1023.8 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1029.7 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1035.0 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1040.8 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1046.3 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1052.8 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1058.7 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1064.6 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1070.1 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1076.7 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1082.1 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1087.6 secs Computing kpt #: 274 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1093.4 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1099.2 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1105.5 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1111.6 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1117.7 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1123.7 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1129.7 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1135.2 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1140.9 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1147.2 secs Computing kpt #: 284 total cpu time spent up to now is 1152.6 secs Computing kpt #: 285 total cpu time spent up to now is 1158.6 secs Computing kpt #: 286 total cpu time spent up to now is 1163.9 secs Computing kpt #: 287 total cpu time spent up to now is 1167.6 secs Computing kpt #: 288 total cpu time spent up to now is 1171.5 secs Computing kpt #: 289 total cpu time spent up to now is 1175.1 secs Computing kpt #: 290 total cpu time spent up to now is 1178.3 secs Computing kpt #: 291 total cpu time spent up to now is 1182.6 secs Computing kpt #: 292 total cpu time spent up to now is 1186.2 secs Computing kpt #: 293 total cpu time spent up to now is 1189.5 secs Computing kpt #: 294 total cpu time spent up to now is 1192.9 secs Computing kpt #: 295 total cpu time spent up to now is 1196.2 secs Computing kpt #: 296 total cpu time spent up to now is 1199.5 secs Computing kpt #: 297 total cpu time spent up to now is 1203.1 secs Computing kpt #: 298 total cpu time spent up to now is 1206.5 secs Computing kpt #: 299 total cpu time spent up to now is 1210.1 secs Computing kpt #: 300 total cpu time spent up to now is 1213.9 secs Computing kpt #: 301 total cpu time spent up to now is 1217.8 secs Computing kpt #: 302 total cpu time spent up to now is 1221.2 secs Computing kpt #: 303 total cpu time spent up to now is 1224.7 secs Computing kpt #: 304 total cpu time spent up to now is 1227.6 secs Computing kpt #: 305 total cpu time spent up to now is 1230.6 secs Computing kpt #: 306 total cpu time spent up to now is 1233.8 secs Computing kpt #: 307 total cpu time spent up to now is 1236.7 secs Computing kpt #: 308 total cpu time spent up to now is 1239.4 secs Computing kpt #: 309 total cpu time spent up to now is 1242.0 secs Computing kpt #: 310 total cpu time spent up to now is 1244.7 secs Computing kpt #: 311 total cpu time spent up to now is 1247.3 secs Computing kpt #: 312 total cpu time spent up to now is 1250.0 secs Computing kpt #: 313 total cpu time spent up to now is 1252.6 secs Computing kpt #: 314 total cpu time spent up to now is 1255.9 secs Computing kpt #: 315 total cpu time spent up to now is 1259.2 secs Computing kpt #: 316 total cpu time spent up to now is 1262.4 secs Computing kpt #: 317 total cpu time spent up to now is 1266.7 secs Computing kpt #: 318 total cpu time spent up to now is 1270.0 secs Computing kpt #: 319 total cpu time spent up to now is 1273.5 secs Computing kpt #: 320 total cpu time spent up to now is 1276.9 secs Computing kpt #: 321 total cpu time spent up to now is 1280.2 secs Computing kpt #: 322 total cpu time spent up to now is 1283.4 secs Computing kpt #: 323 total cpu time spent up to now is 1286.8 secs Computing kpt #: 324 total cpu time spent up to now is 1290.2 secs Computing kpt #: 325 total cpu time spent up to now is 1293.5 secs Computing kpt #: 326 total cpu time spent up to now is 1297.1 secs Computing kpt #: 327 total cpu time spent up to now is 1300.2 secs Computing kpt #: 328 total cpu time spent up to now is 1303.8 secs Computing kpt #: 329 total cpu time spent up to now is 1307.9 secs Computing kpt #: 330 total cpu time spent up to now is 1311.7 secs Computing kpt #: 331 total cpu time spent up to now is 1316.5 secs Computing kpt #: 332 total cpu time spent up to now is 1320.6 secs Computing kpt #: 333 total cpu time spent up to now is 1327.6 secs Computing kpt #: 334 total cpu time spent up to now is 1331.9 secs Computing kpt #: 335 total cpu time spent up to now is 1336.6 secs Computing kpt #: 336 total cpu time spent up to now is 1339.9 secs Computing kpt #: 337 total cpu time spent up to now is 1344.6 secs Computing kpt #: 338 total cpu time spent up to now is 1348.7 secs Computing kpt #: 339 total cpu time spent up to now is 1353.1 secs Computing kpt #: 340 total cpu time spent up to now is 1357.6 secs Computing kpt #: 341 total cpu time spent up to now is 1362.3 secs Computing kpt #: 342 total cpu time spent up to now is 1367.6 secs Computing kpt #: 343 total cpu time spent up to now is 1373.6 secs Computing kpt #: 344 total cpu time spent up to now is 1379.6 secs Computing kpt #: 345 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1385.8 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1392.1 secs Computing kpt #: 347 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1397.8 secs Computing kpt #: 348 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1404.4 secs ethr = 2.08E-08, avg # of iterations = 61.9 total cpu time spent up to now is 1404.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3787 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0948 -19.0948 -18.5925 -18.5925 -18.4170 -18.4170 -16.9239 -16.9239 -16.4354 -16.4354 -16.2804 -16.2804 -9.8506 -9.8506 -8.7945 -8.7945 -1.4954 -1.4954 -0.6530 -0.6530 2.8860 2.8860 4.4909 4.4909 4.5050 4.5050 4.9453 4.9453 6.5701 6.5701 6.6000 6.6000 6.6165 6.6165 9.4558 9.4558 9.4582 9.4582 9.5613 9.5613 10.7784 10.7784 10.7887 10.7887 12.0059 12.0059 12.0062 12.0062 12.2101 12.2101 13.0938 13.0938 13.2722 13.2726 k = 0.0089-0.0269-0.0158 ( 3779 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0948 -19.0948 -18.5927 -18.5927 -18.4172 -18.4172 -16.9239 -16.9239 -16.4354 -16.4354 -16.2805 -16.2805 -9.8499 -9.8499 -8.7948 -8.7948 -1.4941 -1.4941 -0.6522 -0.6522 2.8870 2.8870 4.4882 4.4882 4.5032 4.5032 4.9508 4.9508 6.5553 6.5553 6.5888 6.5888 6.6404 6.6404 9.4425 9.4425 9.4569 9.4569 9.5714 9.5714 10.7723 10.7723 10.7839 10.7839 12.0059 12.0059 12.0072 12.0072 12.2115 12.2115 13.0940 13.0940 13.2730 13.2736 k = 0.0179-0.0538-0.0316 ( 3777 PWs) bands (ev): -40.1532 -40.1532 -37.9797 -37.9797 -19.0948 -19.0948 -18.5931 -18.5931 -18.4181 -18.4181 -16.9240 -16.9240 -16.4357 -16.4357 -16.2811 -16.2811 -9.8476 -9.8476 -8.7957 -8.7957 -1.4904 -1.4904 -0.6500 -0.6500 2.8897 2.8897 4.4767 4.4767 4.5020 4.5020 4.9667 4.9667 6.5223 6.5223 6.5832 6.5832 6.6726 6.6726 9.4088 9.4088 9.4564 9.4564 9.5924 9.5924 10.7505 10.7505 10.7734 10.7734 12.0056 12.0056 12.0107 12.0107 12.2156 12.2156 13.0946 13.0946 13.2736 13.2776 k = 0.0268-0.0807-0.0474 ( 3780 PWs) bands (ev): -40.1529 -40.1529 -37.9795 -37.9795 -19.0949 -19.0949 -18.5938 -18.5938 -18.4195 -18.4195 -16.9241 -16.9241 -16.4361 -16.4361 -16.2820 -16.2820 -9.8438 -9.8438 -8.7972 -8.7972 -1.4841 -1.4841 -0.6462 -0.6462 2.8944 2.8944 4.4559 4.4559 4.5034 4.5034 4.9910 4.9910 6.4841 6.4841 6.5782 6.5782 6.7052 6.7052 9.3653 9.3653 9.4554 9.4554 9.6144 9.6144 10.7123 10.7123 10.7588 10.7588 12.0049 12.0049 12.0164 12.0164 12.2223 12.2223 13.0955 13.0955 13.2744 13.2750 k = 0.0357-0.1076-0.0632 ( 3777 PWs) bands (ev): -40.1527 -40.1527 -37.9792 -37.9792 -19.0950 -19.0950 -18.5948 -18.5948 -18.4214 -18.4214 -16.9243 -16.9243 -16.4367 -16.4367 -16.2833 -16.2833 -9.8384 -9.8384 -8.7993 -8.7993 -1.4753 -1.4753 -0.6410 -0.6410 2.9008 2.9008 4.4291 4.4291 4.5065 4.5065 5.0218 5.0218 6.4432 6.4432 6.5719 6.5719 6.7376 6.7376 9.3157 9.3157 9.4542 9.4542 9.6343 9.6343 10.6593 10.6593 10.7395 10.7395 12.0039 12.0039 12.0244 12.0244 12.2316 12.2316 13.0967 13.0967 13.2752 13.2753 k = 0.0446-0.1345-0.0790 ( 3778 PWs) bands (ev): -40.1523 -40.1523 -37.9789 -37.9789 -19.0951 -19.0951 -18.5961 -18.5961 -18.4238 -18.4238 -16.9245 -16.9245 -16.4375 -16.4375 -16.2849 -16.2849 -9.8316 -9.8316 -8.8020 -8.8020 -1.4641 -1.4641 -0.6342 -0.6342 2.9091 2.9091 4.3984 4.3984 4.5108 4.5108 5.0571 5.0571 6.4000 6.4000 6.5642 6.5642 6.7700 6.7700 9.2613 9.2613 9.4526 9.4526 9.6508 9.6508 10.5932 10.5932 10.7154 10.7154 12.0023 12.0023 12.0345 12.0345 12.2431 12.2431 13.0977 13.0977 13.2755 13.2756 k = 0.0536-0.1614-0.0948 ( 3780 PWs) bands (ev): -40.1519 -40.1519 -37.9785 -37.9785 -19.0952 -19.0952 -18.5976 -18.5976 -18.4267 -18.4267 -16.9248 -16.9248 -16.4385 -16.4385 -16.2869 -16.2869 -9.8233 -9.8233 -8.8053 -8.8053 -1.4504 -1.4504 -0.6260 -0.6260 2.9191 2.9191 4.3653 4.3653 4.5163 4.5163 5.0957 5.0957 6.3545 6.3545 6.5549 6.5549 6.8024 6.8024 9.2026 9.2026 9.4506 9.4506 9.6635 9.6635 10.5154 10.5154 10.6869 10.6869 12.0001 12.0001 12.0468 12.0468 12.2567 12.2567 13.0985 13.0985 13.2754 13.2754 k = 0.0625-0.1883-0.1106 ( 3780 PWs) bands (ev): -40.1513 -40.1513 -37.9781 -37.9781 -19.0955 -19.0955 -18.5995 -18.5995 -18.4301 -18.4301 -16.9252 -16.9252 -16.4396 -16.4396 -16.2892 -16.2892 -9.8136 -9.8136 -8.8091 -8.8091 -1.4342 -1.4342 -0.6162 -0.6162 2.9309 2.9309 4.3309 4.3309 4.5227 4.5227 5.1363 5.1363 6.3067 6.3067 6.5440 6.5440 6.8351 6.8351 9.1402 9.1402 9.4481 9.4481 9.6721 9.6721 10.4272 10.4272 10.6545 10.6545 11.9971 11.9971 12.0611 12.0611 12.2722 12.2722 13.0984 13.0984 13.2745 13.2745 k = 0.0714-0.2152-0.1264 ( 3777 PWs) bands (ev): -40.1507 -40.1507 -37.9776 -37.9776 -19.0957 -19.0957 -18.6017 -18.6017 -18.4338 -18.4338 -16.9256 -16.9256 -16.4409 -16.4409 -16.2918 -16.2918 -9.8025 -9.8025 -8.8134 -8.8134 -1.4156 -1.4156 -0.6049 -0.6049 2.9444 2.9444 4.2959 4.2959 4.5300 4.5300 5.1782 5.1782 6.2566 6.2566 6.5317 6.5317 6.8683 6.8683 9.0742 9.0742 9.4452 9.4452 9.6764 9.6764 10.3304 10.3304 10.6186 10.6186 11.9934 11.9934 12.0774 12.0774 12.2891 12.2891 13.0969 13.0969 13.2733 13.2733 k = 0.0804-0.2420-0.1422 ( 3776 PWs) bands (ev): -40.1501 -40.1501 -37.9770 -37.9770 -19.0961 -19.0961 -18.6042 -18.6042 -18.4379 -18.4379 -16.9261 -16.9261 -16.4423 -16.4423 -16.2946 -16.2946 -9.7901 -9.7901 -8.8183 -8.8183 -1.3946 -1.3946 -0.5922 -0.5922 2.9595 2.9595 4.2608 4.2608 4.5383 4.5383 5.2207 5.2207 6.2044 6.2044 6.5180 6.5180 6.9020 6.9020 9.0049 9.0049 9.4417 9.4417 9.6760 9.6760 10.2265 10.2265 10.5796 10.5796 11.9888 11.9888 12.0955 12.0955 12.3072 12.3072 13.0931 13.0931 13.2722 13.2722 k = 0.0893-0.2689-0.1580 ( 3781 PWs) bands (ev): -40.1493 -40.1493 -37.9764 -37.9764 -19.0965 -19.0965 -18.6070 -18.6070 -18.4424 -18.4424 -16.9267 -16.9267 -16.4440 -16.4440 -16.2978 -16.2978 -9.7764 -9.7764 -8.8237 -8.8237 -1.3712 -1.3712 -0.5780 -0.5780 2.9762 2.9762 4.2260 4.2260 4.5475 4.5475 5.2634 5.2634 6.1500 6.1500 6.5030 6.5030 6.9365 6.9365 8.9327 8.9327 9.4376 9.4376 9.6701 9.6701 10.1178 10.1178 10.5381 10.5381 11.9835 11.9835 12.1154 12.1154 12.3261 12.3261 13.0858 13.0858 13.2720 13.2720 k = 0.0982-0.2958-0.1738 ( 3780 PWs) bands (ev): -40.1485 -40.1485 -37.9757 -37.9757 -19.0971 -19.0971 -18.6101 -18.6101 -18.4471 -18.4471 -16.9274 -16.9274 -16.4458 -16.4458 -16.3011 -16.3011 -9.7614 -9.7614 -8.8296 -8.8296 -1.3454 -1.3454 -0.5622 -0.5622 2.9944 2.9944 4.1919 4.1919 4.5575 4.5575 5.3058 5.3058 6.0937 6.0937 6.4867 6.4867 6.9718 6.9718 8.8577 8.8577 9.4329 9.4329 9.6567 9.6567 10.0074 10.0074 10.4946 10.4946 11.9773 11.9773 12.1369 12.1369 12.3453 12.3453 13.0741 13.0741 13.2738 13.2738 k = 0.1071-0.3227-0.1896 ( 3782 PWs) bands (ev): -40.1476 -40.1476 -37.9749 -37.9749 -19.0978 -19.0978 -18.6136 -18.6136 -18.4520 -18.4520 -16.9282 -16.9282 -16.4478 -16.4478 -16.3047 -16.3047 -9.7452 -9.7452 -8.8360 -8.8360 -1.3172 -1.3172 -0.5450 -0.5450 3.0141 3.0141 4.1586 4.1586 4.5684 4.5684 5.3476 5.3476 6.0356 6.0356 6.4692 6.4692 7.0080 7.0080 8.7802 8.7802 9.4274 9.4274 9.6307 9.6307 9.9016 9.9016 10.4493 10.4493 11.9705 11.9705 12.1600 12.1600 12.3645 12.3645 13.0571 13.0571 13.2782 13.2782 k = 0.1161-0.3496-0.2054 ( 3781 PWs) bands (ev): -40.1467 -40.1467 -37.9741 -37.9741 -19.0986 -19.0986 -18.6173 -18.6173 -18.4571 -18.4571 -16.9290 -16.9290 -16.4499 -16.4499 -16.3085 -16.3085 -9.7279 -9.7279 -8.8427 -8.8427 -1.2868 -1.2868 -0.5263 -0.5263 3.0351 3.0351 4.1264 4.1264 4.5801 4.5801 5.3883 5.3883 5.9759 5.9759 6.4507 6.4507 7.0452 7.0452 8.7004 8.7004 9.4212 9.4212 9.5812 9.5812 9.8125 9.8125 10.4029 10.4029 11.9629 11.9629 12.1845 12.1845 12.3833 12.3833 13.0343 13.0343 13.2859 13.2859 k = 0.1250-0.3765-0.2212 ( 3783 PWs) bands (ev): -40.1456 -40.1456 -37.9733 -37.9733 -19.0996 -19.0996 -18.6214 -18.6214 -18.4623 -18.4623 -16.9300 -16.9300 -16.4523 -16.4523 -16.3124 -16.3124 -9.7095 -9.7095 -8.8498 -8.8498 -1.2540 -1.2540 -0.5062 -0.5062 3.0574 3.0574 4.0954 4.0954 4.5924 4.5924 5.4277 5.4277 5.9149 5.9149 6.4312 6.4312 7.0834 7.0834 8.6185 8.6185 9.4141 9.4141 9.4974 9.4974 9.7517 9.7517 10.3557 10.3557 11.9547 11.9547 12.2102 12.2102 12.4012 12.4012 13.0059 13.0059 13.2969 13.2969 k = 0.1339-0.4034-0.2370 ( 3781 PWs) bands (ev): -40.1446 -40.1446 -37.9723 -37.9723 -19.1008 -19.1008 -18.6258 -18.6258 -18.4675 -18.4675 -16.9310 -16.9310 -16.4548 -16.4548 -16.3165 -16.3165 -9.6902 -9.6902 -8.8573 -8.8573 -1.2190 -1.2190 -0.4846 -0.4846 3.0808 3.0808 4.0657 4.0657 4.6055 4.6055 5.4651 5.4651 5.8531 5.8531 6.4108 6.4108 7.1226 7.1226 8.5348 8.5348 9.3856 9.3856 9.4061 9.4061 9.7141 9.7141 10.3080 10.3080 11.9459 11.9459 12.2371 12.2371 12.4178 12.4178 12.9723 12.9723 13.3110 13.3110 k = 0.1429-0.4303-0.2528 ( 3783 PWs) bands (ev): -40.1434 -40.1434 -37.9714 -37.9714 -19.1022 -19.1022 -18.6305 -18.6305 -18.4728 -18.4728 -16.9322 -16.9322 -16.4574 -16.4574 -16.3206 -16.3206 -9.6699 -9.6699 -8.8651 -8.8651 -1.1818 -1.1818 -0.4615 -0.4615 3.1052 3.1052 4.0373 4.0373 4.6193 4.6193 5.5000 5.5000 5.7912 5.7912 6.3897 6.3897 7.1628 7.1628 8.4494 8.4494 9.2587 9.2587 9.3970 9.3970 9.6874 9.6874 10.2602 10.2602 11.9366 11.9366 12.2650 12.2650 12.4326 12.4326 12.9341 12.9341 13.3281 13.3281 k = 0.1518-0.4572-0.2686 ( 3783 PWs) bands (ev): -40.1423 -40.1423 -37.9704 -37.9704 -19.1038 -19.1038 -18.6355 -18.6355 -18.4779 -18.4779 -16.9335 -16.9335 -16.4603 -16.4603 -16.3248 -16.3248 -9.6489 -9.6489 -8.8732 -8.8732 -1.1424 -1.1424 -0.4370 -0.4370 3.1305 3.1305 4.0104 4.0104 4.6336 4.6336 5.5307 5.5307 5.7305 5.7305 6.3679 6.3679 7.2039 7.2039 8.3627 8.3627 9.1242 9.1242 9.3868 9.3868 9.6652 9.6652 10.2127 10.2127 11.9268 11.9268 12.2938 12.2938 12.4451 12.4451 12.8924 12.8924 13.3479 13.3479 k = 0.1607-0.4841-0.2844 ( 3787 PWs) bands (ev): -40.1410 -40.1410 -37.9693 -37.9693 -19.1056 -19.1056 -18.6408 -18.6408 -18.4830 -18.4830 -16.9349 -16.9349 -16.4633 -16.4633 -16.3291 -16.3291 -9.6271 -9.6271 -8.8814 -8.8814 -1.1010 -1.1010 -0.4111 -0.4111 3.1566 3.1566 3.9851 3.9851 4.6485 4.6485 5.5524 5.5524 5.6761 5.6761 6.3455 6.3455 7.2460 7.2460 8.2748 8.2748 8.9855 8.9855 9.3753 9.3753 9.6447 9.6447 10.1657 10.1657 11.9167 11.9167 12.3233 12.3233 12.4547 12.4547 12.8482 12.8482 13.3699 13.3700 k = 0.1696-0.5110-0.3002 ( 3791 PWs) bands (ev): -40.1398 -40.1398 -37.9683 -37.9683 -19.1078 -19.1078 -18.6463 -18.6463 -18.4880 -18.4880 -16.9365 -16.9365 -16.4664 -16.4664 -16.3334 -16.3334 -9.6047 -9.6047 -8.8898 -8.8898 -1.0574 -1.0574 -0.3838 -0.3838 3.1831 3.1831 3.9614 3.9614 4.6638 4.6638 5.5467 5.5467 5.6463 5.6463 6.3226 6.3226 7.2889 7.2889 8.1859 8.1859 8.8443 8.8443 9.3626 9.3626 9.6248 9.6248 10.1197 10.1197 11.9062 11.9062 12.3534 12.3534 12.4604 12.4604 12.8030 12.8030 13.3941 13.3941 k = 0.1786-0.5379-0.3160 ( 3797 PWs) bands (ev): -40.1385 -40.1385 -37.9671 -37.9671 -19.1102 -19.1102 -18.6520 -18.6520 -18.4928 -18.4928 -16.9382 -16.9382 -16.4697 -16.4697 -16.3376 -16.3376 -9.5818 -9.5818 -8.8983 -8.8983 -1.0119 -1.0119 -0.3551 -0.3551 3.2099 3.2099 3.9394 3.9394 4.6796 4.6796 5.5026 5.5026 5.6521 5.6521 6.2993 6.2993 7.3326 7.3326 8.0964 8.0964 8.7017 8.7017 9.3485 9.3485 9.6053 9.6053 10.0747 10.0747 11.8954 11.8954 12.3840 12.3840 12.4610 12.4610 12.7588 12.7588 13.4201 13.4201 k = 0.1875-0.5648-0.3318 ( 3801 PWs) bands (ev): -40.1371 -40.1371 -37.9660 -37.9660 -19.1129 -19.1129 -18.6579 -18.6579 -18.4975 -18.4975 -16.9400 -16.9400 -16.4732 -16.4732 -16.3418 -16.3418 -9.5586 -9.5586 -8.9068 -8.9068 -0.9643 -0.9643 -0.3250 -0.3250 3.2368 3.2368 3.9193 3.9193 4.6958 4.6958 5.4443 5.4443 5.6695 5.6695 6.2757 6.2757 7.3769 7.3769 8.0063 8.0063 8.5586 8.5586 9.3329 9.3329 9.5860 9.5860 10.0311 10.0311 11.8844 11.8844 12.4147 12.4147 12.4546 12.4546 12.7182 12.7182 13.4475 13.4475 k = 0.1964-0.5917-0.3475 ( 3805 PWs) bands (ev): -40.1357 -40.1357 -37.9648 -37.9648 -19.1160 -19.1160 -18.6638 -18.6638 -18.5019 -18.5019 -16.9420 -16.9420 -16.4767 -16.4767 -16.3460 -16.3460 -9.5350 -9.5350 -8.9153 -8.9153 -0.9149 -0.9149 -0.2936 -0.2936 3.2635 3.2635 3.9010 3.9010 4.7123 4.7123 5.3826 5.3826 5.6875 5.6875 6.2520 6.2520 7.4216 7.4216 7.9159 7.9159 8.4156 8.4156 9.3158 9.3158 9.5668 9.5668 9.9891 9.9891 11.8730 11.8730 12.4357 12.4357 12.4485 12.4485 12.6841 12.6841 13.4760 13.4760 k = 0.2054-0.6186-0.3633 ( 3811 PWs) bands (ev): -40.1343 -40.1343 -37.9636 -37.9636 -19.1194 -19.1194 -18.6699 -18.6699 -18.5061 -18.5061 -16.9441 -16.9441 -16.4804 -16.4804 -16.3501 -16.3501 -9.5113 -9.5113 -8.9236 -8.9236 -0.8636 -0.8636 -0.2609 -0.2609 3.2896 3.2896 3.8847 3.8847 4.7291 4.7291 5.3206 5.3206 5.7033 5.7033 6.2282 6.2282 7.4664 7.4664 7.8254 7.8254 8.2734 8.2734 9.2972 9.2972 9.5479 9.5479 9.9489 9.9489 11.8614 11.8614 12.4103 12.4103 12.4779 12.4779 12.6588 12.6588 13.5054 13.5054 k = 0.2143-0.6455-0.3791 ( 3814 PWs) bands (ev): -40.1329 -40.1329 -37.9624 -37.9624 -19.1231 -19.1231 -18.6760 -18.6760 -18.5101 -18.5101 -16.9463 -16.9463 -16.4842 -16.4842 -16.3540 -16.3540 -9.4877 -9.4877 -8.9316 -8.9316 -0.8106 -0.8106 -0.2269 -0.2269 3.3148 3.3148 3.8706 3.8706 4.7461 4.7461 5.2592 5.2592 5.7159 5.7159 6.2044 6.2044 7.5107 7.5107 7.7352 7.7352 8.1330 8.1330 9.2770 9.2770 9.5294 9.5294 9.9106 9.9106 11.8494 11.8494 12.3731 12.3731 12.5088 12.5088 12.6421 12.6421 13.5354 13.5354 k = 0.2232-0.6723-0.3949 ( 3816 PWs) bands (ev): -40.1315 -40.1315 -37.9612 -37.9612 -19.1272 -19.1272 -18.6820 -18.6820 -18.5139 -18.5139 -16.9487 -16.9487 -16.4881 -16.4881 -16.3578 -16.3578 -9.4642 -9.4642 -8.9393 -8.9393 -0.7559 -0.7559 -0.1916 -0.1916 3.3385 3.3385 3.8589 3.8589 4.7633 4.7633 5.1991 5.1991 5.7246 5.7246 6.1806 6.1806 7.5525 7.5525 7.6461 7.6461 7.9960 7.9960 9.2553 9.2553 9.5113 9.5113 9.8744 9.8744 11.8371 11.8371 12.3281 12.3281 12.5396 12.5396 12.6323 12.6323 13.5654 13.5654 k = 0.2321-0.6992-0.4107 ( 3818 PWs) bands (ev): -40.1300 -40.1300 -37.9599 -37.9599 -19.1317 -19.1317 -18.6880 -18.6880 -18.5174 -18.5174 -16.9513 -16.9513 -16.4920 -16.4920 -16.3615 -16.3615 -9.4411 -9.4411 -8.9464 -8.9464 -0.6996 -0.6996 -0.1552 -0.1552 3.3604 3.3604 3.8497 3.8497 4.7804 4.7804 5.1407 5.1407 5.7292 5.7292 6.1571 6.1571 7.5500 7.5500 7.5953 7.5953 7.8673 7.8673 9.2321 9.2321 9.4937 9.4937 9.8402 9.8402 11.8243 11.8243 12.2785 12.2785 12.5700 12.5700 12.6271 12.6271 13.5953 13.5953 k = 0.2411-0.7261-0.4265 ( 3819 PWs) bands (ev): -40.1285 -40.1285 -37.9587 -37.9587 -19.1365 -19.1365 -18.6939 -18.6939 -18.5207 -18.5207 -16.9539 -16.9539 -16.4960 -16.4960 -16.3651 -16.3651 -9.4185 -9.4185 -8.9529 -8.9529 -0.6417 -0.6417 -0.1176 -0.1176 3.3798 3.3798 3.8433 3.8433 4.7976 4.7976 5.0846 5.0846 5.7292 5.7292 6.1338 6.1338 7.4639 7.4639 7.6004 7.6004 7.7694 7.7694 9.2076 9.2076 9.4768 9.4768 9.8081 9.8081 11.8110 11.8110 12.2266 12.2266 12.5988 12.5988 12.6256 12.6256 13.6246 13.6246 k = 0.2500-0.7530-0.4423 ( 3817 PWs) bands (ev): -40.1271 -40.1271 -37.9574 -37.9574 -19.1416 -19.1416 -18.6996 -18.6996 -18.5238 -18.5238 -16.9567 -16.9567 -16.5000 -16.5000 -16.3685 -16.3685 -9.3968 -9.3968 -8.9586 -8.9586 -0.5825 -0.5825 -0.0789 -0.0789 3.3962 3.3962 3.8399 3.8399 4.8148 4.8148 5.0311 5.0311 5.7245 5.7245 6.1109 6.1109 7.3757 7.3757 7.5289 7.5289 7.7536 7.7536 9.1818 9.1818 9.4606 9.4606 9.7781 9.7781 11.7971 11.7971 12.1740 12.1740 12.6168 12.6168 12.6361 12.6361 13.6529 13.6529 k = 0.2589-0.7799-0.4581 ( 3824 PWs) bands (ev): -40.1256 -40.1256 -37.9562 -37.9562 -19.1471 -19.1471 -18.7051 -18.7051 -18.5266 -18.5266 -16.9597 -16.9597 -16.5040 -16.5040 -16.3717 -16.3717 -9.3761 -9.3761 -8.9632 -8.9632 -0.5219 -0.5219 -0.0391 -0.0391 3.4090 3.4090 3.8396 3.8396 4.8317 4.8317 4.9805 4.9805 5.7147 5.7147 6.0883 6.0883 7.2878 7.2878 7.4135 7.4135 7.7854 7.7854 9.1550 9.1550 9.4452 9.4452 9.7501 9.7501 11.7823 11.7823 12.1221 12.1221 12.6192 12.6192 12.6625 12.6625 13.6800 13.6800 k = 0.2679-0.8068-0.4739 ( 3828 PWs) bands (ev): -40.1241 -40.1241 -37.9549 -37.9549 -19.1529 -19.1529 -18.7105 -18.7105 -18.5293 -18.5293 -16.9627 -16.9627 -16.5080 -16.5080 -16.3748 -16.3748 -9.3566 -9.3566 -8.9666 -8.9666 -0.4602 -0.4602 0.0016 0.0016 3.4179 3.4179 3.8425 3.8425 4.8484 4.8484 4.9333 4.9333 5.6995 5.6995 6.0663 6.0663 7.1997 7.1997 7.2919 7.2919 7.8279 7.8279 9.1274 9.1274 9.4307 9.4307 9.7240 9.7240 11.7665 11.7665 12.0717 12.0717 12.6199 12.6199 12.6906 12.6906 13.7055 13.7055 k = 0.2768-0.8337-0.4897 ( 3829 PWs) bands (ev): -40.1226 -40.1226 -37.9537 -37.9537 -19.1590 -19.1590 -18.7155 -18.7155 -18.5317 -18.5317 -16.9659 -16.9659 -16.5120 -16.5120 -16.3777 -16.3777 -9.3388 -9.3388 -8.9685 -8.9685 -0.3974 -0.3974 0.0434 0.0434 3.4226 3.4226 3.8484 3.8484 4.8648 4.8648 4.8899 4.8899 5.6790 5.6790 6.0448 6.0448 7.1095 7.1095 7.1744 7.1744 7.8734 7.8734 9.0991 9.0991 9.4171 9.4171 9.6997 9.6997 11.7493 11.7493 12.0238 12.0238 12.6205 12.6205 12.7183 12.7183 13.7294 13.7294 k = 0.2857-0.8606-0.5055 ( 3829 PWs) bands (ev): -40.1212 -40.1212 -37.9524 -37.9524 -19.1653 -19.1653 -18.7203 -18.7203 -18.5340 -18.5340 -16.9691 -16.9691 -16.5159 -16.5159 -16.3805 -16.3805 -9.3228 -9.3228 -8.9688 -8.9688 -0.3337 -0.3337 0.0860 0.0860 3.4230 3.4230 3.8571 3.8571 4.8497 4.8497 4.8815 4.8815 5.6528 5.6528 6.0240 6.0240 7.0117 7.0117 7.0688 7.0688 7.9200 7.9200 9.0705 9.0705 9.4045 9.4045 9.6771 9.6771 11.7304 11.7304 11.9789 11.9789 12.6213 12.6213 12.7453 12.7453 13.7518 13.7518 k = 0.2946-0.8875-0.5213 ( 3832 PWs) bands (ev): -40.1198 -40.1198 -37.9512 -37.9512 -19.1719 -19.1719 -18.7249 -18.7249 -18.5360 -18.5360 -16.9724 -16.9724 -16.5198 -16.5198 -16.3831 -16.3831 -9.3088 -9.3088 -8.9672 -8.9672 -0.2692 -0.2692 0.1295 0.1295 3.4193 3.4193 3.8680 3.8680 4.8144 4.8144 4.8972 4.8972 5.6209 5.6209 6.0038 6.0038 6.9047 6.9047 6.9781 6.9781 7.9667 7.9667 9.0416 9.0416 9.3930 9.3930 9.6560 9.6560 11.7095 11.7095 11.9378 11.9378 12.6221 12.6221 12.7715 12.7715 13.7729 13.7729 k = 0.3036-0.9144-0.5371 ( 3833 PWs) bands (ev): -40.1183 -40.1183 -37.9500 -37.9500 -19.1786 -19.1786 -18.7292 -18.7292 -18.5379 -18.5379 -16.9758 -16.9758 -16.5235 -16.5235 -16.3855 -16.3855 -9.2970 -9.2970 -8.9636 -8.9636 -0.2042 -0.2042 0.1737 0.1737 3.4117 3.4117 3.8806 3.8806 4.7833 4.7833 4.9125 4.9125 5.5833 5.5833 5.9844 5.9844 6.7956 6.7956 6.8959 6.8959 8.0131 8.0131 9.0128 9.0128 9.3824 9.3824 9.6363 9.6363 11.6864 11.6864 11.9009 11.9009 12.6230 12.6230 12.7967 12.7967 13.7933 13.7933 k = 0.3125-0.9413-0.5529 ( 3835 PWs) bands (ev): -40.1170 -40.1170 -37.9488 -37.9488 -19.1854 -19.1854 -18.7332 -18.7332 -18.5396 -18.5396 -16.9793 -16.9793 -16.5272 -16.5272 -16.3878 -16.3878 -9.2876 -9.2876 -8.9580 -8.9580 -0.1389 -0.1389 0.2187 0.2187 3.4006 3.4006 3.8943 3.8943 4.7566 4.7566 4.9274 4.9274 5.5401 5.5401 5.9658 5.9658 6.6891 6.6891 6.8184 6.8184 8.0589 8.0589 8.9842 8.9842 9.3730 9.3730 9.6179 9.6179 11.6611 11.6611 11.8684 11.8684 12.6240 12.6240 12.8211 12.8211 13.8135 13.8135 k = 0.3214-0.9682-0.5687 ( 3839 PWs) bands (ev): -40.1156 -40.1156 -37.9477 -37.9477 -19.1924 -19.1924 -18.7369 -18.7369 -18.5412 -18.5412 -16.9827 -16.9827 -16.5308 -16.5308 -16.3899 -16.3899 -9.2804 -9.2804 -8.9505 -8.9505 -0.0734 -0.0734 0.2643 0.2643 3.3863 3.3863 3.9085 3.9085 4.7343 4.7343 4.9417 4.9417 5.4916 5.4916 5.9480 5.9480 6.5870 6.5870 6.7443 6.7443 8.1037 8.1037 8.9561 8.9561 9.3648 9.3648 9.6007 9.6007 11.6337 11.6337 11.8403 11.8403 12.6250 12.6250 12.8444 12.8444 13.8339 13.8339 k = 0.3304-0.9951-0.5845 ( 3839 PWs) bands (ev): -40.1143 -40.1143 -37.9465 -37.9465 -19.1994 -19.1994 -18.7404 -18.7404 -18.5426 -18.5426 -16.9862 -16.9862 -16.5342 -16.5342 -16.3919 -16.3919 -9.2753 -9.2753 -8.9412 -8.9412 -0.0082 -0.0082 0.3105 0.3105 3.3693 3.3693 3.9225 3.9225 4.7162 4.7162 4.9554 4.9554 5.4381 5.4381 5.9311 5.9311 6.4901 6.4901 6.6731 6.6731 8.1473 8.1473 8.9285 8.9285 9.3577 9.3577 9.5847 9.5847 11.6047 11.6047 11.8160 11.8160 12.6260 12.6260 12.8667 12.8667 13.8550 13.8550 k = 0.3393-1.0220-0.6003 ( 3838 PWs) bands (ev): -40.1130 -40.1130 -37.9455 -37.9455 -19.2063 -19.2063 -18.7436 -18.7436 -18.5439 -18.5439 -16.9897 -16.9897 -16.5375 -16.5375 -16.3938 -16.3938 -9.2722 -9.2722 -8.9305 -8.9305 0.0566 0.0566 0.3573 0.3573 3.3501 3.3501 3.9361 3.9361 4.7023 4.7023 4.9685 4.9685 5.3804 5.3804 5.9151 5.9151 6.3989 6.3989 6.6047 6.6047 8.1895 8.1895 8.9017 8.9017 9.3519 9.3519 9.5696 9.5696 11.5750 11.5750 11.7951 11.7951 12.6270 12.6270 12.8879 12.8879 13.8771 13.8771 k = 0.3482-1.0489-0.6161 ( 3836 PWs) bands (ev): -40.1118 -40.1118 -37.9444 -37.9444 -19.2133 -19.2133 -18.7465 -18.7465 -18.5450 -18.5450 -16.9931 -16.9931 -16.5407 -16.5407 -16.3955 -16.3955 -9.2707 -9.2707 -8.9185 -8.9185 0.1205 0.1205 0.4046 0.4046 3.3290 3.3290 3.9486 3.9486 4.6920 4.6920 4.9808 4.9808 5.3191 5.3191 5.9001 5.9001 6.3137 6.3137 6.5390 6.5390 8.2300 8.2300 8.8757 8.8757 9.3474 9.3474 9.5555 9.5555 11.5451 11.5451 11.7769 11.7769 12.6280 12.6280 12.9080 12.9080 13.9002 13.9002 k = 0.3571-1.0758-0.6319 ( 3840 PWs) bands (ev): -40.1106 -40.1106 -37.9434 -37.9434 -19.2201 -19.2201 -18.7492 -18.7492 -18.5460 -18.5460 -16.9965 -16.9965 -16.5437 -16.5437 -16.3970 -16.3970 -9.2706 -9.2706 -8.9058 -8.9058 0.1831 0.1831 0.4525 0.4525 3.3064 3.3064 3.9598 3.9598 4.6849 4.6849 4.9925 4.9925 5.2553 5.2553 5.8860 5.8860 6.2346 6.2346 6.4758 6.4758 8.2686 8.2686 8.8508 8.8508 9.3441 9.3441 9.5424 9.5424 11.5156 11.5156 11.7609 11.7609 12.6289 12.6289 12.9269 12.9269 13.9243 13.9244 k = 0.3661-1.1026-0.6477 ( 3840 PWs) bands (ev): -40.1095 -40.1095 -37.9424 -37.9424 -19.2267 -19.2267 -18.7517 -18.7517 -18.5468 -18.5468 -16.9998 -16.9998 -16.5465 -16.5465 -16.3985 -16.3985 -9.2716 -9.2716 -8.8924 -8.8924 0.2440 0.2440 0.5007 0.5007 3.2828 3.2828 3.9693 3.9693 4.6806 4.6806 5.0034 5.0034 5.1901 5.1901 5.8729 5.8729 6.1616 6.1616 6.4152 6.4152 8.3050 8.3050 8.8269 8.8269 9.3422 9.3422 9.5301 9.5301 11.4869 11.4869 11.7467 11.7467 12.6298 12.6298 12.9448 12.9448 13.9494 13.9494 k = 0.3750-1.1295-0.6635 ( 3836 PWs) bands (ev): -40.1084 -40.1084 -37.9415 -37.9415 -19.2332 -19.2332 -18.7539 -18.7539 -18.5476 -18.5476 -17.0031 -17.0031 -16.5492 -16.5492 -16.3998 -16.3998 -9.2734 -9.2734 -8.8789 -8.8789 0.3027 0.3027 0.5494 0.5494 3.2586 3.2586 3.9769 3.9769 4.6783 4.6783 5.0135 5.0135 5.1248 5.1248 5.8607 5.8607 6.0948 6.0948 6.3571 6.3571 8.3390 8.3390 8.8043 8.8043 9.3416 9.3416 9.5187 9.5187 11.4594 11.4594 11.7340 11.7340 12.6307 12.6307 12.9615 12.9615 13.9751 13.9751 k = 0.3839-1.1564-0.6793 ( 3835 PWs) bands (ev): -40.1074 -40.1074 -37.9407 -37.9407 -19.2394 -19.2394 -18.7560 -18.7560 -18.5482 -18.5482 -17.0062 -17.0062 -16.5517 -16.5517 -16.4010 -16.4010 -9.2758 -9.2758 -8.8654 -8.8654 0.3588 0.3588 0.5984 0.5984 3.2341 3.2341 3.9821 3.9821 4.6773 4.6773 5.0227 5.0227 5.0611 5.0611 5.8495 5.8495 6.0342 6.0342 6.3013 6.3013 8.3706 8.3706 8.7830 8.7830 9.3422 9.3422 9.5081 9.5081 11.4332 11.4332 11.7226 11.7226 12.6315 12.6315 12.9770 12.9770 14.0012 14.0012 k = 0.3929-1.1833-0.6951 ( 3837 PWs) bands (ev): -40.1064 -40.1064 -37.9398 -37.9398 -19.2454 -19.2454 -18.7578 -18.7578 -18.5488 -18.5488 -17.0091 -17.0091 -16.5540 -16.5540 -16.4021 -16.4021 -9.2786 -9.2786 -8.8521 -8.8521 0.4119 0.4119 0.6474 0.6474 3.2097 3.2097 3.9847 3.9847 4.6770 4.6770 4.9992 4.9992 5.0320 5.0320 5.8393 5.8393 5.9797 5.9797 6.2479 6.2479 8.3996 8.3996 8.7629 8.7629 9.3441 9.3441 9.4982 9.4982 11.4085 11.4085 11.7124 11.7124 12.6322 12.6322 12.9914 12.9914 14.0271 14.0271 k = 0.4018-1.2102-0.7109 ( 3842 PWs) bands (ev): -40.1055 -40.1055 -37.9391 -37.9391 -19.2510 -19.2510 -18.7595 -18.7595 -18.5493 -18.5493 -17.0120 -17.0120 -16.5562 -16.5562 -16.4031 -16.4031 -9.2817 -9.2817 -8.8393 -8.8393 0.4615 0.4615 0.6962 0.6962 3.1859 3.1859 3.9844 3.9844 4.6764 4.6764 4.9427 4.9427 5.0396 5.0396 5.8299 5.8299 5.9316 5.9316 6.1968 6.1968 8.4259 8.4259 8.7443 8.7443 9.3470 9.3470 9.4892 9.4892 11.3855 11.3855 11.7032 11.7032 12.6329 12.6329 13.0046 13.0046 14.0525 14.0525 k = 0.4107-1.2371-0.7267 ( 3838 PWs) bands (ev): -40.1047 -40.1047 -37.9384 -37.9384 -19.2562 -19.2562 -18.7610 -18.7610 -18.5497 -18.5497 -17.0146 -17.0146 -16.5581 -16.5581 -16.4040 -16.4040 -9.2848 -9.2848 -8.8271 -8.8271 0.5074 0.5074 0.7443 0.7443 3.1628 3.1628 3.9811 3.9811 4.6747 4.6747 4.8921 4.8921 5.0465 5.0465 5.8214 5.8214 5.8897 5.8897 6.1480 6.1480 8.4495 8.4495 8.7272 8.7272 9.3508 9.3508 9.4810 9.4810 11.3642 11.3642 11.6950 11.6950 12.6335 12.6335 13.0167 13.0167 14.0768 14.0768 k = 0.4196-1.2640-0.7425 ( 3834 PWs) bands (ev): -40.1039 -40.1039 -37.9377 -37.9377 -19.2611 -19.2611 -18.7623 -18.7623 -18.5501 -18.5501 -17.0171 -17.0171 -16.5599 -16.5599 -16.4048 -16.4048 -9.2879 -9.2879 -8.8157 -8.8157 0.5493 0.5493 0.7911 0.7911 3.1410 3.1410 3.9747 3.9747 4.6707 4.6707 4.8491 4.8491 5.0528 5.0528 5.8135 5.8135 5.8544 5.8544 6.1016 6.1016 8.4705 8.4705 8.7116 8.7116 9.3554 9.3554 9.4736 9.4736 11.3447 11.3447 11.6877 11.6877 12.6341 12.6341 13.0276 13.0276 14.0995 14.0995 k = 0.4286-1.2909-0.7583 ( 3834 PWs) bands (ev): -40.1032 -40.1032 -37.9372 -37.9372 -19.2655 -19.2655 -18.7635 -18.7635 -18.5504 -18.5504 -17.0193 -17.0193 -16.5615 -16.5615 -16.4055 -16.4055 -9.2909 -9.2909 -8.8053 -8.8053 0.5872 0.5872 0.8360 0.8360 3.1206 3.1206 3.9653 3.9653 4.6636 4.6636 4.8151 4.8151 5.0583 5.0583 5.8055 5.8055 5.8264 5.8264 6.0575 6.0575 8.4887 8.4887 8.6976 8.6976 9.3605 9.3605 9.4670 9.4670 11.3271 11.3271 11.6812 11.6812 12.6346 12.6346 13.0374 13.0374 14.1201 14.1201 k = 0.4375-1.3178-0.7741 ( 3834 PWs) bands (ev): -40.1026 -40.1026 -37.9366 -37.9366 -19.2695 -19.2695 -18.7645 -18.7645 -18.5506 -18.5506 -17.0213 -17.0213 -16.5629 -16.5629 -16.4061 -16.4061 -9.2937 -9.2937 -8.7958 -8.7958 0.6209 0.6209 0.8782 0.8782 3.1020 3.1020 3.9534 3.9534 4.6532 4.6532 4.7904 4.7904 5.0631 5.0631 5.7942 5.7942 5.8088 5.8088 6.0159 6.0159 8.5044 8.5044 8.6851 8.6851 9.3658 9.3658 9.4611 9.4611 11.3115 11.3115 11.6756 11.6756 12.6350 12.6350 13.0460 13.0460 14.1384 14.1384 k = 0.4464-1.3447-0.7899 ( 3834 PWs) bands (ev): -40.1021 -40.1021 -37.9362 -37.9362 -19.2729 -19.2729 -18.7654 -18.7654 -18.5508 -18.5508 -17.0231 -17.0231 -16.5641 -16.5641 -16.4066 -16.4066 -9.2963 -9.2963 -8.7874 -8.7874 0.6503 0.6503 0.9169 0.9169 3.0854 3.0854 3.9396 3.9396 4.6407 4.6407 4.7737 4.7737 5.0672 5.0672 5.7802 5.7802 5.8007 5.8007 5.9770 5.9770 8.5176 8.5176 8.6742 8.6742 9.3711 9.3711 9.4561 9.4561 11.2977 11.2977 11.6708 11.6708 12.6354 12.6354 13.0534 13.0534 14.1542 14.1542 k = 0.4554-1.3716-0.8057 ( 3836 PWs) bands (ev): -40.1017 -40.1017 -37.9358 -37.9358 -19.2759 -19.2759 -18.7661 -18.7661 -18.5510 -18.5510 -17.0246 -17.0246 -16.5651 -16.5651 -16.4070 -16.4070 -9.2985 -9.2985 -8.7803 -8.7803 0.6754 0.6754 0.9512 0.9512 3.0709 3.0709 3.9251 3.9251 4.6280 4.6280 4.7629 4.7629 5.0706 5.0706 5.7698 5.7698 5.7958 5.7958 5.9409 5.9409 8.5285 8.5285 8.6650 8.6650 9.3761 9.3761 9.4519 9.4519 11.2860 11.2860 11.6668 11.6668 12.6357 12.6357 13.0597 13.0597 14.1673 14.1673 k = 0.4643-1.3985-0.8215 ( 3832 PWs) bands (ev): -40.1013 -40.1013 -37.9355 -37.9355 -19.2784 -19.2784 -18.7667 -18.7667 -18.5511 -18.5511 -17.0259 -17.0259 -16.5660 -16.5660 -16.4074 -16.4074 -9.3004 -9.3004 -8.7743 -8.7743 0.6961 0.6961 0.9806 0.9806 3.0589 3.0589 3.9110 3.9110 4.6167 4.6167 4.7560 4.7560 5.0734 5.0734 5.7646 5.7646 5.7922 5.7922 5.9079 5.9079 8.5372 8.5372 8.6574 8.6574 9.3805 9.3805 9.4484 9.4484 11.2763 11.2763 11.6635 11.6635 12.6359 12.6359 13.0649 13.0649 14.1778 14.1778 k = 0.4732-1.4254-0.8373 ( 3829 PWs) bands (ev): -40.1010 -40.1010 -37.9352 -37.9352 -19.2803 -19.2803 -18.7671 -18.7671 -18.5512 -18.5512 -17.0268 -17.0268 -16.5666 -16.5666 -16.4076 -16.4076 -9.3019 -9.3019 -8.7696 -8.7696 0.7123 0.7123 1.0041 1.0041 3.0493 3.0493 3.8985 3.8985 4.6077 4.6077 4.7514 4.7514 5.0756 5.0756 5.7644 5.7644 5.7895 5.7895 5.8785 5.8785 8.5438 8.5438 8.6515 8.6515 9.3842 9.3842 9.4458 9.4458 11.2687 11.2687 11.6610 11.6610 12.6361 12.6361 13.0689 13.0689 14.1858 14.1858 k = 0.4821-1.4523-0.8531 ( 3831 PWs) bands (ev): -40.1008 -40.1008 -37.9351 -37.9351 -19.2817 -19.2817 -18.7675 -18.7675 -18.5512 -18.5512 -17.0276 -17.0276 -16.5671 -16.5671 -16.4078 -16.4078 -9.3030 -9.3030 -8.7662 -8.7662 0.7239 0.7239 1.0214 1.0214 3.0425 3.0425 3.8887 3.8887 4.6014 4.6014 4.7484 4.7484 5.0771 5.0771 5.7685 5.7685 5.7873 5.7873 5.8534 5.8534 8.5485 8.5485 8.6473 8.6473 9.3870 9.3870 9.4439 9.4439 11.2633 11.2633 11.6592 11.6592 12.6363 12.6363 13.0717 13.0717 14.1914 14.1914 k = 0.4911-1.4792-0.8689 ( 3818 PWs) bands (ev): -40.1007 -40.1007 -37.9350 -37.9350 -19.2825 -19.2825 -18.7676 -18.7676 -18.5512 -18.5512 -17.0280 -17.0280 -16.5673 -16.5673 -16.4079 -16.4079 -9.3036 -9.3036 -8.7642 -8.7642 0.7310 0.7310 1.0320 1.0320 3.0384 3.0384 3.8825 3.8825 4.5977 4.5977 4.7467 4.7467 5.0780 5.0780 5.7755 5.7755 5.7854 5.7854 5.8346 5.8346 8.5513 8.5513 8.6448 8.6448 9.3887 9.3887 9.4428 9.4428 11.2600 11.2600 11.6582 11.6582 12.6363 12.6363 13.0734 13.0734 14.1947 14.1947 k = 0.5000-1.5061-0.8847 ( 3814 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2828 -19.2828 -18.7677 -18.7677 -18.5513 -18.5513 -17.0281 -17.0281 -16.5674 -16.5674 -16.4080 -16.4080 -9.3038 -9.3038 -8.7635 -8.7635 0.7334 0.7334 1.0355 1.0355 3.0370 3.0370 3.8803 3.8803 4.5964 4.5964 4.7462 4.7462 5.0783 5.0783 5.7817 5.7817 5.7823 5.7823 5.8269 5.8269 8.5522 8.5522 8.6439 8.6439 9.3893 9.3893 9.4424 9.4424 11.2590 11.2590 11.6578 11.6578 12.6364 12.6364 13.0740 13.0740 14.1958 14.1958 k = 0.5000-1.5061-0.8847 ( 3814 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2828 -19.2828 -18.7677 -18.7677 -18.5513 -18.5513 -17.0281 -17.0281 -16.5674 -16.5674 -16.4080 -16.4080 -9.3038 -9.3038 -8.7635 -8.7635 0.7334 0.7334 1.0355 1.0355 3.0370 3.0370 3.8803 3.8803 4.5964 4.5964 4.7462 4.7462 5.0783 5.0783 5.7817 5.7817 5.7823 5.7823 5.8269 5.8269 8.5522 8.5522 8.6439 8.6439 9.3893 9.3893 9.4424 9.4424 11.2590 11.2590 11.6578 11.6578 12.6364 12.6364 13.0740 13.0740 14.1958 14.1958 k = 0.5000-1.4900-0.9121 ( 3822 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2827 -19.2827 -18.7677 -18.7677 -18.5515 -18.5515 -17.0281 -17.0281 -16.5674 -16.5674 -16.4081 -16.4081 -9.3034 -9.3034 -8.7638 -8.7638 0.7341 0.7341 1.0359 1.0359 3.0381 3.0381 3.8807 3.8807 4.5952 4.5952 4.7461 4.7461 5.0799 5.0799 5.7794 5.7794 5.7832 5.7832 5.8272 5.8272 8.5523 8.5523 8.6401 8.6401 9.3886 9.3886 9.4338 9.4338 11.2668 11.2668 11.6590 11.6590 12.6363 12.6363 13.0733 13.0733 14.1986 14.1986 k = 0.5000-1.4738-0.9395 ( 3828 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2824 -19.2824 -18.7677 -18.7677 -18.5523 -18.5523 -17.0280 -17.0280 -16.5673 -16.5673 -16.4087 -16.4087 -9.3020 -9.3020 -8.7647 -8.7647 0.7364 0.7364 1.0371 1.0371 3.0415 3.0415 3.8821 3.8821 4.5913 4.5913 4.7457 4.7457 5.0846 5.0846 5.7735 5.7735 5.7851 5.7851 5.8281 5.8281 8.5525 8.5525 8.6289 8.6289 9.3856 9.3856 9.4097 9.4097 11.2898 11.2898 11.6623 11.6623 12.6359 12.6359 13.0712 13.0712 14.2070 14.2070 k = 0.5000-1.4577-0.9669 ( 3824 PWs) bands (ev): -40.1005 -40.1005 -37.9348 -37.9348 -19.2818 -19.2818 -18.7678 -18.7678 -18.5536 -18.5536 -17.0278 -17.0278 -16.5670 -16.5670 -16.4095 -16.4095 -9.2996 -9.2996 -8.7662 -8.7662 0.7402 0.7402 1.0391 1.0391 3.0471 3.0471 3.8843 3.8843 4.5852 4.5852 4.7450 4.7450 5.0925 5.0925 5.7636 5.7636 5.7881 5.7881 5.8299 5.8299 8.5525 8.5525 8.6104 8.6104 9.3616 9.3616 9.3902 9.3902 11.3267 11.3267 11.6678 11.6678 12.6353 12.6353 13.0678 13.0678 14.2206 14.2206 k = 0.5000-1.4416-0.9943 ( 3826 PWs) bands (ev): -40.1004 -40.1004 -37.9347 -37.9347 -19.2811 -19.2811 -18.7679 -18.7679 -18.5554 -18.5554 -17.0276 -17.0276 -16.5667 -16.5667 -16.4107 -16.4107 -9.2964 -9.2964 -8.7683 -8.7683 0.7455 0.7455 1.0419 1.0419 3.0549 3.0549 3.8873 3.8873 4.5770 4.5770 4.7440 4.7440 5.1032 5.1032 5.7496 5.7496 5.7922 5.7922 5.8327 5.8327 8.5518 8.5518 8.5851 8.5851 9.3090 9.3090 9.3854 9.3854 11.3754 11.3754 11.6754 11.6754 12.6345 12.6345 13.0631 13.0631 14.2390 14.2390 k = 0.5000-1.4255-1.0218 ( 3822 PWs) bands (ev): -40.1003 -40.1003 -37.9346 -37.9346 -19.2801 -19.2801 -18.7680 -18.7680 -18.5576 -18.5576 -17.0274 -17.0274 -16.5663 -16.5663 -16.4123 -16.4123 -9.2922 -9.2922 -8.7711 -8.7711 0.7523 0.7523 1.0454 1.0454 3.0649 3.0649 3.8911 3.8911 4.5670 4.5670 4.7428 4.7428 5.1165 5.1165 5.7315 5.7315 5.7975 5.7975 5.8363 5.8363 8.5488 8.5488 8.5541 8.5541 9.2451 9.2451 9.3812 9.3812 11.4338 11.4338 11.6850 11.6850 12.6333 12.6333 13.0572 13.0572 14.2614 14.2614 k = 0.5000-1.4094-1.0492 ( 3826 PWs) bands (ev): -40.1001 -40.1001 -37.9345 -37.9345 -19.2789 -19.2789 -18.7681 -18.7681 -18.5603 -18.5603 -17.0271 -17.0271 -16.5658 -16.5658 -16.4141 -16.4141 -9.2871 -9.2871 -8.7743 -8.7743 0.7605 0.7605 1.0497 1.0497 3.0772 3.0772 3.8956 3.8956 4.5555 4.5555 4.7412 4.7412 5.1323 5.1323 5.7095 5.7095 5.8039 5.8039 5.8408 5.8408 8.5151 8.5151 8.5449 8.5449 9.1747 9.1747 9.3761 9.3761 11.4998 11.4998 11.6965 11.6965 12.6319 12.6319 13.0502 13.0502 14.2868 14.2868 k = 0.5000-1.3933-1.0766 ( 3824 PWs) bands (ev): -40.1000 -40.1000 -37.9344 -37.9344 -19.2775 -19.2775 -18.7683 -18.7683 -18.5634 -18.5634 -17.0267 -17.0267 -16.5653 -16.5653 -16.4163 -16.4163 -9.2812 -9.2812 -8.7782 -8.7782 0.7702 0.7702 1.0547 1.0547 3.0915 3.0915 3.9008 3.9008 4.5430 4.5430 4.7393 4.7393 5.1502 5.1502 5.6839 5.6839 5.8114 5.8114 5.8461 5.8461 8.4720 8.4720 8.5347 8.5347 9.1022 9.1022 9.3699 9.3699 11.5717 11.5717 11.7098 11.7098 12.6301 12.6301 13.0423 13.0423 14.3138 14.3138 k = 0.5000-1.3772-1.1040 ( 3824 PWs) bands (ev): -40.0998 -40.0998 -37.9342 -37.9342 -19.2760 -19.2760 -18.7685 -18.7685 -18.5669 -18.5669 -17.0263 -17.0263 -16.5646 -16.5646 -16.4187 -16.4187 -9.2745 -9.2745 -8.7826 -8.7826 0.7813 0.7813 1.0603 1.0603 3.1079 3.1079 3.9065 3.9065 4.5297 4.5297 4.7370 4.7370 5.1701 5.1701 5.6548 5.6548 5.8199 5.8199 5.8519 5.8519 8.4239 8.4239 8.5162 8.5162 9.0324 9.0324 9.3626 9.3626 11.6477 11.6477 11.7247 11.7247 12.6281 12.6281 13.0335 13.0335 14.3403 14.3403 k = 0.5000-1.3611-1.1314 ( 3826 PWs) bands (ev): -40.0996 -40.0996 -37.9340 -37.9340 -19.2743 -19.2743 -18.7688 -18.7688 -18.5707 -18.5707 -17.0259 -17.0259 -16.5639 -16.5639 -16.4214 -16.4214 -9.2670 -9.2670 -8.7876 -8.7876 0.7938 0.7938 1.0666 1.0666 3.1264 3.1264 3.9127 3.9127 4.5160 4.5160 4.7343 4.7343 5.1918 5.1918 5.6225 5.6225 5.8295 5.8295 5.8581 5.8581 8.3716 8.3716 8.4850 8.4850 8.9713 8.9713 9.3541 9.3541 11.7267 11.7267 11.7411 11.7411 12.6257 12.6257 13.0242 13.0242 14.3642 14.3642 k = 0.5000-1.3450-1.1588 ( 3830 PWs) bands (ev): -40.0994 -40.0994 -37.9338 -37.9338 -19.2724 -19.2724 -18.7691 -18.7691 -18.5749 -18.5749 -17.0255 -17.0255 -16.5631 -16.5631 -16.4244 -16.4244 -9.2587 -9.2587 -8.7930 -8.7930 0.8075 0.8075 1.0735 1.0735 3.1468 3.1468 3.9192 3.9192 4.5021 4.5021 4.7312 4.7312 5.2152 5.2152 5.5873 5.5873 5.8400 5.8400 5.8647 5.8647 8.3158 8.3158 8.4372 8.4372 8.9239 8.9239 9.3443 9.3443 11.7587 11.7587 11.8078 11.8078 12.6231 12.6231 13.0144 13.0144 14.3831 14.3831 k = 0.5000-1.3289-1.1863 ( 3836 PWs) bands (ev): -40.0991 -40.0991 -37.9336 -37.9336 -19.2704 -19.2704 -18.7696 -18.7696 -18.5793 -18.5793 -17.0250 -17.0250 -16.5622 -16.5622 -16.4276 -16.4276 -9.2497 -9.2497 -8.7990 -8.7990 0.8225 0.8225 1.0810 1.0810 3.1691 3.1691 3.9259 3.9259 4.4884 4.4884 4.7276 4.7276 5.2402 5.2402 5.5494 5.5494 5.8515 5.8515 5.8715 5.8715 8.2570 8.2570 8.3712 8.3712 8.8926 8.8926 9.3334 9.3334 11.7773 11.7773 11.8901 11.8901 12.6202 12.6202 13.0044 13.0044 14.3954 14.3954 k = 0.5000-1.3128-1.2137 ( 3842 PWs) bands (ev): -40.0988 -40.0988 -37.9334 -37.9334 -19.2683 -19.2683 -18.7701 -18.7701 -18.5839 -18.5839 -17.0245 -17.0245 -16.5613 -16.5613 -16.4310 -16.4310 -9.2400 -9.2400 -8.8054 -8.8054 0.8388 0.8388 1.0889 1.0889 3.1932 3.1932 3.9325 3.9325 4.4752 4.4752 4.7236 4.7236 5.2668 5.2668 5.5091 5.5091 5.8638 5.8638 5.8784 5.8784 8.1959 8.1959 8.2894 8.2894 8.8761 8.8761 9.3212 9.3212 11.7969 11.7969 11.9729 11.9729 12.6171 12.6171 12.9944 12.9944 14.4010 14.4010 k = 0.5000-1.2967-1.2411 ( 3842 PWs) bands (ev): -40.0986 -40.0986 -37.9332 -37.9332 -19.2661 -19.2661 -18.7707 -18.7707 -18.5887 -18.5887 -17.0240 -17.0240 -16.5602 -16.5602 -16.4346 -16.4346 -9.2298 -9.2298 -8.8123 -8.8123 0.8561 0.8561 1.0973 1.0973 3.2191 3.2191 3.9390 3.9390 4.4627 4.4627 4.7190 4.7190 5.2948 5.2948 5.4668 5.4668 5.8768 5.8768 5.8854 5.8854 8.1330 8.1330 8.1956 8.1956 8.8711 8.8711 9.3079 9.3079 11.8171 11.8171 12.0557 12.0557 12.6139 12.6139 12.9847 12.9847 14.4006 14.4006 k = 0.5000-1.2806-1.2685 ( 3848 PWs) bands (ev): -40.0983 -40.0983 -37.9329 -37.9329 -19.2638 -19.2638 -18.7714 -18.7714 -18.5935 -18.5935 -17.0234 -17.0234 -16.5591 -16.5591 -16.4384 -16.4384 -9.2189 -9.2189 -8.8196 -8.8196 0.8745 0.8745 1.1061 1.1061 3.2466 3.2466 3.9450 3.9450 4.4512 4.4512 4.7139 4.7139 5.3242 5.3242 5.4227 5.4227 5.8901 5.8901 5.8927 5.8927 8.0688 8.0688 8.0938 8.0938 8.8742 8.8742 9.2935 9.2935 11.8377 11.8377 12.1381 12.1381 12.6107 12.6107 12.9756 12.9756 14.3952 14.3952 k = 0.5000-1.2645-1.2959 ( 3848 PWs) bands (ev): -40.0980 -40.0980 -37.9327 -37.9327 -19.2614 -19.2614 -18.7723 -18.7723 -18.5984 -18.5984 -17.0229 -17.0229 -16.5580 -16.5580 -16.4422 -16.4422 -9.2076 -9.2076 -8.8273 -8.8273 0.8939 0.8939 1.1152 1.1152 3.2756 3.2756 3.9504 3.9504 4.4409 4.4409 4.7082 4.7082 5.3546 5.3546 5.3774 5.3774 5.8986 5.8986 5.9053 5.9053 7.9862 7.9862 8.0048 8.0048 8.8831 8.8831 9.2783 9.2783 11.8585 11.8585 12.2195 12.2195 12.6076 12.6076 12.9675 12.9675 14.3854 14.3855 k = 0.5000-1.2484-1.3233 ( 3846 PWs) bands (ev): -40.0977 -40.0977 -37.9324 -37.9324 -19.2590 -19.2590 -18.7732 -18.7732 -18.6032 -18.6032 -17.0224 -17.0224 -16.5568 -16.5568 -16.4462 -16.4462 -9.1958 -9.1958 -8.8354 -8.8354 0.9141 0.9141 1.1245 1.1245 3.3060 3.3060 3.9548 3.9548 4.4323 4.4323 4.7020 4.7020 5.3299 5.3299 5.3873 5.3873 5.9053 5.9053 5.9201 5.9201 7.8762 7.8762 7.9399 7.9399 8.8959 8.8959 9.2622 9.2622 11.8793 11.8793 12.2994 12.2994 12.6047 12.6047 12.9610 12.9610 14.3716 14.3717 k = 0.5000-1.2323-1.3507 ( 3846 PWs) bands (ev): -40.0974 -40.0974 -37.9322 -37.9322 -19.2566 -19.2566 -18.7743 -18.7743 -18.6080 -18.6080 -17.0218 -17.0218 -16.5555 -16.5555 -16.4503 -16.4503 -9.1837 -9.1837 -8.8438 -8.8438 0.9351 0.9351 1.1339 1.1339 3.3377 3.3377 3.9581 3.9581 4.4254 4.4254 4.6951 4.6951 5.2822 5.2822 5.4204 5.4204 5.9118 5.9118 5.9353 5.9353 7.7643 7.7643 7.8757 7.8757 8.9117 8.9117 9.2454 9.2454 11.8998 11.8998 12.3771 12.3771 12.6021 12.6021 12.9567 12.9567 14.3540 14.3540 k = 0.5000-1.2162-1.3782 ( 3842 PWs) bands (ev): -40.0971 -40.0971 -37.9319 -37.9319 -19.2542 -19.2542 -18.7755 -18.7755 -18.6126 -18.6126 -17.0213 -17.0213 -16.5542 -16.5542 -16.4543 -16.4543 -9.1712 -9.1712 -8.8525 -8.8525 0.9568 0.9568 1.1434 1.1434 3.3705 3.3705 3.9600 3.9600 4.4207 4.4207 4.6876 4.6876 5.2339 5.2339 5.4547 5.4547 5.9181 5.9181 5.9509 5.9509 7.6519 7.6519 7.8126 7.8126 8.9295 8.9295 9.2281 9.2281 11.9197 11.9197 12.4513 12.4513 12.6000 12.6000 12.9559 12.9559 14.3324 14.3325 k = 0.5000-1.2001-1.4056 ( 3838 PWs) bands (ev): -40.0968 -40.0968 -37.9316 -37.9316 -19.2519 -19.2519 -18.7768 -18.7768 -18.6170 -18.6170 -17.0208 -17.0208 -16.5528 -16.5528 -16.4584 -16.4584 -9.1585 -9.1585 -8.8614 -8.8614 0.9789 0.9789 1.1528 1.1528 3.4043 3.4043 3.9603 3.9603 4.4182 4.4182 4.6795 4.6795 5.1853 5.1853 5.4900 5.4900 5.9245 5.9245 5.9666 5.9666 7.5399 7.5399 7.7509 7.7509 8.9487 8.9487 9.2103 9.2103 11.9390 11.9390 12.5203 12.5203 12.5987 12.5987 12.9600 12.9600 14.3071 14.3071 k = 0.5000-1.1840-1.4330 ( 3838 PWs) bands (ev): -40.0964 -40.0964 -37.9314 -37.9314 -19.2496 -19.2496 -18.7783 -18.7783 -18.6212 -18.6212 -17.0204 -17.0204 -16.5514 -16.5514 -16.4624 -16.4624 -9.1456 -9.1456 -8.8706 -8.8706 1.0015 1.0015 1.1621 1.1621 3.4388 3.4388 3.9588 3.9588 4.4181 4.4181 4.6708 4.6708 5.1367 5.1367 5.5259 5.5259 5.9311 5.9311 5.9823 5.9823 7.4289 7.4289 7.6912 7.6912 8.9689 8.9689 9.1923 9.1923 11.9572 11.9572 12.5806 12.5806 12.5993 12.5993 12.9715 12.9715 14.2781 14.2781 k = 0.5000-1.1679-1.4604 ( 3840 PWs) bands (ev): -40.0961 -40.0961 -37.9311 -37.9311 -19.2474 -19.2474 -18.7798 -18.7798 -18.6251 -18.6251 -17.0200 -17.0200 -16.5501 -16.5501 -16.4664 -16.4664 -9.1326 -9.1326 -8.8800 -8.8800 1.0242 1.0242 1.1711 1.1711 3.4738 3.4738 3.9553 3.9553 4.4205 4.4205 4.6615 4.6615 5.0884 5.0884 5.5623 5.5623 5.9382 5.9382 5.9979 5.9979 7.3195 7.3195 7.6339 7.6339 8.9897 8.9897 9.1743 9.1743 11.9743 11.9743 12.5967 12.5967 12.6348 12.6348 12.9933 12.9933 14.2459 14.2459 k = 0.5000-1.1518-1.4878 ( 3836 PWs) bands (ev): -40.0959 -40.0959 -37.9309 -37.9309 -19.2453 -19.2453 -18.7814 -18.7814 -18.6287 -18.6287 -17.0196 -17.0196 -16.5486 -16.5486 -16.4703 -16.4703 -9.1195 -9.1195 -8.8896 -8.8896 1.0469 1.0469 1.1797 1.1797 3.5091 3.5091 3.9500 3.9500 4.4255 4.4255 4.6518 4.6518 5.0407 5.0407 5.5987 5.5987 5.9461 5.9461 6.0131 6.0131 7.2123 7.2123 7.5795 7.5795 9.0108 9.0108 9.1563 9.1563 11.9901 11.9901 12.5982 12.5982 12.6730 12.6730 13.0278 13.0278 14.2109 14.2109 k = 0.5000-1.1357-1.5152 ( 3842 PWs) bands (ev): -40.0956 -40.0956 -37.9306 -37.9306 -19.2434 -19.2434 -18.7831 -18.7831 -18.6320 -18.6320 -17.0193 -17.0193 -16.5473 -16.5473 -16.4741 -16.4741 -9.1065 -9.1065 -8.8992 -8.8992 1.0695 1.0695 1.1878 1.1878 3.5445 3.5445 3.9428 3.9428 4.4329 4.4329 4.6417 4.6417 4.9939 4.9939 5.6345 5.6345 5.9554 5.9554 6.0279 6.0279 7.1078 7.1078 7.5283 7.5283 9.0317 9.0317 9.1385 9.1385 12.0044 12.0044 12.6005 12.6005 12.6986 12.6986 13.0749 13.0749 14.1735 14.1735 k = 0.5000-1.1195-1.5427 ( 3838 PWs) bands (ev): -40.0953 -40.0953 -37.9304 -37.9304 -19.2416 -19.2416 -18.7848 -18.7848 -18.6349 -18.6349 -17.0190 -17.0190 -16.5459 -16.5459 -16.4777 -16.4777 -9.0935 -9.0935 -8.9090 -8.9090 1.0918 1.0918 1.1953 1.1953 3.5796 3.5796 3.9338 3.9338 4.4427 4.4427 4.6315 4.6315 4.9482 4.9482 5.6689 5.6689 5.9667 5.9667 6.0419 6.0419 7.0065 7.0065 7.4808 7.4808 9.0523 9.0523 9.1211 9.1211 12.0171 12.0171 12.6038 12.6038 12.7134 12.7134 13.1323 13.1323 14.1343 14.1343 k = 0.5000-1.1034-1.5701 ( 3834 PWs) bands (ev): -40.0951 -40.0951 -37.9302 -37.9302 -19.2399 -19.2399 -18.7865 -18.7865 -18.6375 -18.6375 -17.0187 -17.0187 -16.5445 -16.5445 -16.4810 -16.4810 -9.0807 -9.0807 -8.9188 -8.9188 1.1134 1.1134 1.2020 1.2020 3.6141 3.6141 3.9232 3.9232 4.4547 4.4547 4.6212 4.6212 4.9040 4.9040 5.7009 5.7009 5.9810 5.9810 6.0552 6.0552 6.9092 6.9092 7.4374 7.4374 9.0723 9.0723 9.1043 9.1043 12.0282 12.0282 12.6083 12.6083 12.7204 12.7204 13.1969 13.1969 14.0938 14.0938 k = 0.5000-1.0873-1.5975 ( 3828 PWs) bands (ev): -40.0948 -40.0948 -37.9300 -37.9300 -19.2385 -19.2385 -18.7881 -18.7881 -18.6397 -18.6397 -17.0185 -17.0185 -16.5433 -16.5433 -16.4841 -16.4841 -9.0682 -9.0682 -8.9285 -8.9285 1.1341 1.1341 1.2078 1.2078 3.6476 3.6476 3.9112 3.9112 4.4688 4.4688 4.6111 4.6111 4.8615 4.8615 5.7294 5.7294 5.9988 5.9988 6.0674 6.0674 6.8164 6.8164 7.3982 7.3982 9.0878 9.0878 9.0918 9.0918 12.0376 12.0376 12.6140 12.6140 12.7221 12.7221 13.2657 13.2657 14.0523 14.0523 k = 0.5000-1.0712-1.6249 ( 3830 PWs) bands (ev): -40.0946 -40.0946 -37.9298 -37.9298 -19.2373 -19.2373 -18.7896 -18.7896 -18.6416 -18.6416 -17.0183 -17.0183 -16.5421 -16.5421 -16.4869 -16.4869 -9.0560 -9.0560 -8.9383 -8.9383 1.1538 1.1538 1.2125 1.2125 3.6797 3.6797 3.8980 3.8980 4.4848 4.4848 4.6015 4.6015 4.8209 4.8209 5.7536 5.7536 6.0206 6.0206 6.0784 6.0784 6.7291 6.7291 7.3638 7.3638 9.0730 9.0730 9.1092 9.1092 12.0454 12.0454 12.6207 12.6207 12.7203 12.7203 13.3365 13.3365 14.0102 14.0102 k = 0.5000-1.0551-1.6523 ( 3834 PWs) bands (ev): -40.0944 -40.0944 -37.9297 -37.9297 -19.2363 -19.2363 -18.7909 -18.7909 -18.6431 -18.6431 -17.0182 -17.0182 -16.5411 -16.5411 -16.4893 -16.4893 -9.0443 -9.0443 -8.9479 -8.9479 1.1720 1.1720 1.2160 1.2160 3.7100 3.7100 3.8839 3.8839 4.5026 4.5026 4.5929 4.5929 4.7824 4.7824 5.7730 5.7730 6.0459 6.0459 6.0882 6.0882 6.6486 6.6486 7.3342 7.3342 9.0589 9.0589 9.1256 9.1256 12.0518 12.0518 12.6285 12.6285 12.7161 12.7161 13.4076 13.4076 13.9677 13.9677 k = 0.5000-1.0390-1.6797 ( 3838 PWs) bands (ev): -40.0943 -40.0943 -37.9295 -37.9295 -19.2355 -19.2355 -18.7921 -18.7921 -18.6444 -18.6444 -17.0182 -17.0182 -16.5402 -16.5402 -16.4914 -16.4914 -9.0330 -9.0330 -8.9574 -8.9574 1.1885 1.1885 1.2182 1.2182 3.7379 3.7379 3.8691 3.8691 4.5220 4.5220 4.5855 4.5855 4.7463 4.7463 5.7876 5.7876 6.0726 6.0726 6.0968 6.0968 6.5771 6.5771 7.3096 7.3096 9.0459 9.0459 9.1403 9.1403 12.0568 12.0568 12.6371 12.6371 12.7102 12.7102 13.4776 13.4776 13.9251 13.9251 k = 0.5000-1.0229-1.7072 ( 3844 PWs) bands (ev): -40.0942 -40.0942 -37.9294 -37.9294 -19.2349 -19.2349 -18.7930 -18.7930 -18.6453 -18.6453 -17.0181 -17.0181 -16.5395 -16.5395 -16.4930 -16.4930 -9.0224 -9.0224 -8.9666 -8.9666 1.2030 1.2030 1.2189 1.2189 3.7630 3.7630 3.8539 3.8539 4.5427 4.5427 4.5799 4.5799 4.7129 4.7129 5.7977 5.7977 6.0963 6.0963 6.1048 6.1048 6.5181 6.5181 7.2902 7.2902 9.0342 9.0342 9.1530 9.1530 12.0606 12.0606 12.6462 12.6462 12.7031 12.7031 13.5451 13.5451 13.8825 13.8825 k = 0.5000-1.0068-1.7346 ( 3842 PWs) bands (ev): -40.0941 -40.0941 -37.9294 -37.9294 -19.2345 -19.2345 -18.7937 -18.7937 -18.6459 -18.6459 -17.0181 -17.0181 -16.5390 -16.5390 -16.4941 -16.4941 -9.0126 -9.0126 -8.9753 -8.9753 1.2149 1.2149 1.2182 1.2182 3.7847 3.7847 3.8388 3.8388 4.5645 4.5645 4.5766 4.5766 4.6823 4.6823 5.8040 5.8040 6.1075 6.1075 6.1162 6.1162 6.4773 6.4773 7.2760 7.2760 9.0241 9.0241 9.1636 9.1636 12.0633 12.0633 12.6557 12.6557 12.6953 12.6953 13.6084 13.6084 13.8402 13.8402 k = 0.5000-0.9907-1.7620 ( 3846 PWs) bands (ev): -40.0940 -40.0940 -37.9293 -37.9293 -19.2343 -19.2343 -18.7941 -18.7941 -18.6462 -18.6462 -17.0181 -17.0181 -16.5388 -16.5388 -16.4948 -16.4948 -9.0045 -9.0045 -8.9828 -8.9828 1.2152 1.2152 1.2247 1.2247 3.8021 3.8021 3.8243 3.8243 4.5733 4.5733 4.5893 4.5893 4.6554 4.6554 5.8066 5.8066 6.1116 6.1116 6.1194 6.1194 6.4607 6.4607 7.2669 7.2669 9.0155 9.0155 9.1716 9.1716 12.0652 12.0652 12.6642 12.6642 12.6879 12.6879 13.6656 13.6656 13.7981 13.7981 k = 0.5000-0.9746-1.7894 ( 3850 PWs) bands (ev): -40.0940 -40.0940 -37.9293 -37.9293 -19.2343 -19.2343 -18.7942 -18.7942 -18.6463 -18.6463 -17.0181 -17.0181 -16.5387 -16.5387 -16.4950 -16.4950 -9.0015 -9.0015 -8.9857 -8.9857 1.2107 1.2107 1.2310 1.2310 3.8060 3.8060 3.8199 3.8199 4.5723 4.5723 4.6131 4.6131 4.6340 4.6340 5.8052 5.8052 6.1045 6.1045 6.1173 6.1173 6.4702 6.4702 7.2628 7.2628 9.0085 9.0085 9.1769 9.1769 12.0665 12.0665 12.6668 12.6668 12.6858 12.6858 13.7147 13.7147 13.7566 13.7566 k = 0.5000-0.9585-1.8168 ( 3846 PWs) bands (ev): -40.0940 -40.0940 -37.9293 -37.9293 -19.2343 -19.2343 -18.7940 -18.7940 -18.6462 -18.6462 -17.0181 -17.0181 -16.5388 -16.5388 -16.4947 -16.4947 -9.0062 -9.0062 -8.9813 -8.9813 1.2042 1.2042 1.2341 1.2341 3.7935 3.7935 3.8287 3.8287 4.5681 4.5681 4.6191 4.6191 4.6408 4.6408 5.7994 5.7994 6.0831 6.0831 6.1190 6.1190 6.5008 6.5008 7.2636 7.2636 9.0034 9.0034 9.1794 9.1794 12.0674 12.0674 12.6598 12.6598 12.6928 12.6928 13.7148 13.7148 13.7544 13.7544 k = 0.8275-0.9056-1.7219 ( 3846 PWs) bands (ev): -40.0940 -40.0940 -37.9293 -37.9293 -19.2343 -19.2343 -18.7940 -18.7940 -18.6462 -18.6462 -17.0181 -17.0181 -16.5388 -16.5388 -16.4947 -16.4947 -9.0062 -9.0062 -8.9813 -8.9813 1.2042 1.2042 1.2341 1.2341 3.7935 3.7935 3.8287 3.8287 4.5681 4.5681 4.6191 4.6191 4.6408 4.6408 5.7994 5.7994 6.0831 6.0831 6.1190 6.1190 6.5008 6.5008 7.2636 7.2636 9.0034 9.0034 9.1794 9.1794 12.0674 12.0674 12.6598 12.6598 12.6928 12.6928 13.7148 13.7148 13.7544 13.7544 k = 0.8224-0.8901-1.6942 ( 3844 PWs) bands (ev): -40.0941 -40.0941 -37.9294 -37.9294 -19.2345 -19.2345 -18.7935 -18.7935 -18.6458 -18.6458 -17.0181 -17.0181 -16.5391 -16.5391 -16.4939 -16.4939 -9.0134 -9.0134 -8.9749 -8.9749 1.1955 1.1955 1.2335 1.2335 3.7806 3.7806 3.8347 3.8347 4.5571 4.5571 4.6191 4.6191 4.6677 4.6677 5.7881 5.7881 6.0596 6.0596 6.1205 6.1205 6.5459 6.5459 7.2690 7.2690 9.0001 9.0001 9.1787 9.1787 12.0679 12.0679 12.6493 12.6493 12.7027 12.7027 13.6740 13.6740 13.7822 13.7822 k = 0.8172-0.8747-1.6666 ( 3844 PWs) bands (ev): -40.0942 -40.0942 -37.9295 -37.9295 -19.2348 -19.2348 -18.7927 -18.7927 -18.6452 -18.6452 -17.0180 -17.0180 -16.5394 -16.5394 -16.4928 -16.4928 -9.0209 -9.0209 -8.9688 -8.9688 1.1846 1.1846 1.2289 1.2289 3.7688 3.7688 3.8372 3.8372 4.5420 4.5420 4.6285 4.6285 4.6960 4.6960 5.7707 5.7707 6.0403 6.0403 6.1216 6.1216 6.6000 6.6000 7.2789 7.2789 8.9989 8.9989 9.1747 9.1747 12.0684 12.0684 12.6375 12.6375 12.7130 12.7130 13.6336 13.6336 13.7981 13.7981 k = 0.8121-0.8593-1.6389 ( 3842 PWs) bands (ev): -40.0944 -40.0944 -37.9296 -37.9296 -19.2351 -19.2351 -18.7916 -18.7916 -18.6444 -18.6444 -17.0179 -17.0179 -16.5399 -16.5399 -16.4913 -16.4913 -9.0282 -9.0282 -8.9634 -8.9634 1.1714 1.1714 1.2201 1.2201 3.7585 3.7585 3.8365 3.8365 4.5265 4.5265 4.6437 4.6437 4.7255 4.7255 5.7477 5.7477 6.0280 6.0280 6.1226 6.1226 6.6602 6.6602 7.2929 7.2929 8.9997 8.9997 9.1673 9.1673 12.0689 12.0689 12.6250 12.6250 12.7232 12.7232 13.5938 13.5938 13.8030 13.8030 k = 0.8070-0.8439-1.6113 ( 3840 PWs) bands (ev): -40.0946 -40.0946 -37.9298 -37.9298 -19.2354 -19.2354 -18.7902 -18.7902 -18.6434 -18.6434 -17.0178 -17.0178 -16.5403 -16.5403 -16.4895 -16.4895 -9.0351 -9.0351 -8.9589 -8.9589 1.1560 1.1560 1.2068 1.2068 3.7497 3.7497 3.8330 3.8330 4.5119 4.5119 4.6627 4.6627 4.7561 4.7561 5.7206 5.7206 6.0233 6.0233 6.1238 6.1238 6.7246 6.7246 7.3108 7.3108 9.0026 9.0026 9.1562 9.1562 12.0696 12.0696 12.6119 12.6119 12.7331 12.7331 13.5546 13.5546 13.7989 13.7989 k = 0.8019-0.8285-1.5836 ( 3854 PWs) bands (ev): -40.0949 -40.0949 -37.9300 -37.9300 -19.2358 -19.2358 -18.7885 -18.7885 -18.6422 -18.6422 -17.0176 -17.0176 -16.5408 -16.5408 -16.4875 -16.4875 -9.0417 -9.0417 -8.9554 -8.9554 1.1381 1.1381 1.1890 1.1890 3.7426 3.7426 3.8272 3.8272 4.4989 4.4989 4.6844 4.6844 4.7878 4.7878 5.6913 5.6913 6.0250 6.0250 6.1256 6.1256 6.7922 6.7922 7.3323 7.3323 9.0076 9.0076 9.1414 9.1414 12.0706 12.0706 12.5983 12.5983 12.7425 12.7425 13.5161 13.5161 13.7881 13.7881 k = 0.7968-0.8131-1.5560 ( 3858 PWs) bands (ev): -40.0952 -40.0952 -37.9303 -37.9303 -19.2360 -19.2360 -18.7867 -18.7867 -18.6409 -18.6409 -17.0173 -17.0173 -16.5411 -16.5411 -16.4853 -16.4853 -9.0478 -9.0478 -8.9529 -8.9529 1.1179 1.1179 1.1666 1.1666 3.7373 3.7373 3.8198 3.8198 4.4876 4.4876 4.7081 4.7081 4.8204 4.8204 5.6616 5.6616 6.0323 6.0323 6.1282 6.1282 6.8624 6.8624 7.3571 7.3571 9.0148 9.0148 9.1229 9.1229 12.0720 12.0720 12.5841 12.5841 12.7514 12.7514 13.4784 13.4784 13.7728 13.7728 k = 0.7917-0.7977-1.5283 ( 3856 PWs) bands (ev): -40.0956 -40.0956 -37.9306 -37.9306 -19.2361 -19.2361 -18.7846 -18.7846 -18.6393 -18.6393 -17.0170 -17.0170 -16.5414 -16.5414 -16.4828 -16.4828 -9.0534 -9.0534 -8.9516 -8.9516 1.0953 1.0953 1.1396 1.1396 3.7337 3.7337 3.8113 3.8113 4.4780 4.4780 4.7331 4.7331 4.8541 4.8541 5.6331 5.6331 6.0440 6.0440 6.1320 6.1320 6.9347 6.9347 7.3849 7.3849 9.0242 9.0242 9.1007 9.1007 12.0739 12.0739 12.5695 12.5695 12.7596 12.7596 13.4414 13.4414 13.7544 13.7544 k = 0.7865-0.7823-1.5007 ( 3840 PWs) bands (ev): -40.0960 -40.0960 -37.9310 -37.9310 -19.2360 -19.2360 -18.7822 -18.7822 -18.6376 -18.6376 -17.0164 -17.0164 -16.5416 -16.5416 -16.4801 -16.4801 -9.0585 -9.0585 -8.9513 -8.9513 1.0705 1.0705 1.1081 1.1081 3.7317 3.7317 3.8021 3.8021 4.4703 4.4703 4.7588 4.7588 4.8889 4.8889 5.6068 5.6068 6.0597 6.0597 6.1373 6.1373 7.0087 7.0087 7.4157 7.4157 9.0357 9.0357 9.0749 9.0749 12.0765 12.0765 12.5544 12.5544 12.7672 12.7672 13.4052 13.4052 13.7342 13.7342 k = 0.7814-0.7669-1.4731 ( 3840 PWs) bands (ev): -40.0965 -40.0965 -37.9314 -37.9314 -19.2358 -19.2358 -18.7798 -18.7798 -18.6357 -18.6357 -17.0158 -17.0158 -16.5417 -16.5417 -16.4773 -16.4773 -9.0630 -9.0630 -8.9522 -8.9522 1.0433 1.0433 1.0722 1.0722 3.7311 3.7311 3.7925 3.7925 4.4641 4.4641 4.7848 4.7848 4.9245 4.9245 5.5833 5.5833 6.0787 6.0787 6.1443 6.1443 7.0840 7.0840 7.4490 7.4490 9.0446 9.0446 9.0501 9.0501 12.0796 12.0796 12.5389 12.5389 12.7740 12.7740 13.3699 13.3699 13.7128 13.7128 k = 0.7763-0.7514-1.4454 ( 3844 PWs) bands (ev): -40.0970 -40.0970 -37.9318 -37.9318 -19.2353 -19.2353 -18.7773 -18.7773 -18.6336 -18.6336 -17.0151 -17.0151 -16.5417 -16.5417 -16.4745 -16.4745 -9.0670 -9.0670 -8.9543 -8.9543 1.0140 1.0140 1.0321 1.0321 3.7317 3.7317 3.7829 3.7829 4.4596 4.4596 4.8107 4.8107 4.9611 4.9611 5.5632 5.5632 6.1010 6.1010 6.1533 6.1533 7.1605 7.1605 7.4849 7.4849 9.0121 9.0121 9.0654 9.0654 12.0834 12.0834 12.5230 12.5230 12.7800 12.7800 13.3354 13.3354 13.6907 13.6907 k = 0.7712-0.7360-1.4178 ( 3842 PWs) bands (ev): -40.0976 -40.0976 -37.9323 -37.9323 -19.2346 -19.2346 -18.7746 -18.7746 -18.6314 -18.6314 -17.0142 -17.0142 -16.5415 -16.5415 -16.4714 -16.4714 -9.0705 -9.0705 -8.9576 -8.9576 0.9823 0.9823 0.9883 0.9883 3.7332 3.7332 3.7737 3.7737 4.4566 4.4566 4.8361 4.8361 4.9987 4.9987 5.5468 5.5468 6.1262 6.1262 6.1645 6.1645 7.2378 7.2378 7.5231 7.5231 8.9758 8.9758 9.0832 9.0832 12.0879 12.0879 12.5066 12.5066 12.7852 12.7852 13.3020 13.3020 13.6681 13.6681 k = 0.7661-0.7206-1.3901 ( 3848 PWs) bands (ev): -40.0982 -40.0982 -37.9329 -37.9329 -19.2337 -19.2337 -18.7719 -18.7719 -18.6290 -18.6290 -17.0132 -17.0132 -16.5412 -16.5412 -16.4683 -16.4683 -9.0734 -9.0734 -8.9621 -8.9621 0.9398 0.9398 0.9495 0.9495 3.7352 3.7352 3.7648 3.7648 4.4550 4.4550 4.8608 4.8608 5.0370 5.0370 5.5344 5.5344 6.1543 6.1543 6.1782 6.1782 7.3159 7.3159 7.5635 7.5635 8.9363 8.9363 9.1031 9.1031 12.0932 12.0932 12.4899 12.4899 12.7894 12.7894 13.2695 13.2695 13.6451 13.6451 k = 0.7610-0.7052-1.3625 ( 3854 PWs) bands (ev): -40.0989 -40.0989 -37.9335 -37.9335 -19.2324 -19.2324 -18.7691 -18.7691 -18.6265 -18.6265 -17.0121 -17.0121 -16.5408 -16.5408 -16.4651 -16.4651 -9.0756 -9.0756 -8.9679 -8.9679 0.8888 0.8888 0.9141 0.9141 3.7374 3.7374 3.7566 3.7566 4.4549 4.4549 4.8844 4.8844 5.0762 5.0762 5.5260 5.5260 6.1854 6.1854 6.1945 6.1945 7.3944 7.3944 7.6060 7.6060 8.8939 8.8939 9.1248 9.1248 12.0991 12.0991 12.4727 12.4727 12.7927 12.7927 13.2382 13.2382 13.6216 13.6216 k = 0.7558-0.6898-1.3348 ( 3852 PWs) bands (ev): -40.0997 -40.0997 -37.9341 -37.9341 -19.2308 -19.2308 -18.7663 -18.7663 -18.6237 -18.6237 -17.0108 -17.0108 -16.5403 -16.5403 -16.4618 -16.4618 -9.0772 -9.0772 -8.9748 -8.9748 0.8346 0.8346 0.8770 0.8770 3.7390 3.7390 3.7496 3.7496 4.4562 4.4562 4.9070 4.9070 5.1160 5.1160 5.5218 5.5218 6.2136 6.2136 6.2193 6.2193 7.4730 7.4730 7.6506 7.6506 8.8490 8.8490 9.1484 9.1484 12.1059 12.1059 12.4551 12.4551 12.7951 12.7951 13.2081 13.2081 13.5976 13.5976 k = 0.7507-0.6744-1.3072 ( 3854 PWs) bands (ev): -40.1005 -40.1005 -37.9348 -37.9348 -19.2290 -19.2290 -18.7635 -18.7635 -18.6209 -18.6209 -17.0093 -17.0093 -16.5396 -16.5396 -16.4584 -16.4584 -9.0783 -9.0783 -8.9830 -8.9830 0.7776 0.7776 0.8384 0.8384 3.7375 3.7375 3.7461 3.7461 4.4588 4.4588 4.9282 4.9282 5.1564 5.1564 5.5218 5.5218 6.2358 6.2358 6.2562 6.2562 7.5516 7.5516 7.6970 7.6970 8.8019 8.8019 9.1737 9.1737 12.1133 12.1133 12.4372 12.4372 12.7964 12.7964 13.1793 13.1793 13.5728 13.5728 k = 0.7456-0.6590-1.2795 ( 3854 PWs) bands (ev): -40.1014 -40.1014 -37.9356 -37.9356 -19.2267 -19.2267 -18.7607 -18.7607 -18.6178 -18.6178 -17.0077 -17.0077 -16.5388 -16.5388 -16.4549 -16.4549 -9.0787 -9.0787 -8.9924 -8.9924 0.7183 0.7183 0.7983 0.7983 3.7320 3.7320 3.7464 3.7464 4.4627 4.4627 4.9480 4.9480 5.1973 5.1973 5.5258 5.5258 6.2611 6.2611 6.2960 6.2960 7.6297 7.6297 7.7453 7.7453 8.7530 8.7530 9.2006 9.2006 12.1214 12.1214 12.4190 12.4190 12.7966 12.7966 13.1518 13.1518 13.5472 13.5472 k = 0.7405-0.6436-1.2519 ( 3858 PWs) bands (ev): -40.1023 -40.1023 -37.9364 -37.9364 -19.2242 -19.2242 -18.7578 -18.7578 -18.6147 -18.6147 -17.0059 -17.0059 -16.5378 -16.5378 -16.4513 -16.4513 -9.0785 -9.0785 -9.0030 -9.0030 0.6568 0.6568 0.7568 0.7568 3.7259 3.7259 3.7473 3.7473 4.4678 4.4678 4.9663 4.9663 5.2384 5.2384 5.5339 5.5339 6.2895 6.2895 6.3388 6.3388 7.7069 7.7069 7.7955 7.7955 8.7028 8.7028 9.2289 9.2289 12.1301 12.1301 12.4006 12.4006 12.7957 12.7957 13.1259 13.1259 13.5208 13.5208 k = 0.7354-0.6281-1.2242 ( 3854 PWs) bands (ev): -40.1033 -40.1033 -37.9372 -37.9372 -19.2213 -19.2213 -18.7550 -18.7550 -18.6114 -18.6114 -17.0039 -17.0039 -16.5367 -16.5367 -16.4477 -16.4477 -9.0777 -9.0777 -9.0147 -9.0147 0.5936 0.5936 0.7142 0.7142 3.7198 3.7198 3.7477 3.7477 4.4743 4.4743 4.9832 4.9832 5.2797 5.2797 5.5456 5.5456 6.3213 6.3213 6.3849 6.3849 7.7826 7.7826 7.8473 7.8473 8.6522 8.6522 9.2586 9.2586 12.1395 12.1395 12.3819 12.3819 12.7937 12.7937 13.1015 13.1015 13.4934 13.4934 k = 0.7303-0.6127-1.1966 ( 3858 PWs) bands (ev): -40.1043 -40.1043 -37.9381 -37.9381 -19.2181 -19.2181 -18.7522 -18.7522 -18.6079 -18.6079 -17.0019 -17.0019 -16.5355 -16.5355 -16.4440 -16.4440 -9.0764 -9.0764 -9.0275 -9.0275 0.5289 0.5289 0.6706 0.6706 3.7138 3.7138 3.7473 3.7473 4.4822 4.4822 4.9985 4.9985 5.3209 5.3209 5.5608 5.5608 6.3564 6.3564 6.4342 6.4342 7.8559 7.8559 7.9009 7.9009 8.6021 8.6021 9.2894 9.2894 12.1494 12.1494 12.3630 12.3630 12.7906 12.7906 13.0787 13.0787 13.4651 13.4651 k = 0.7251-0.5973-1.1689 ( 3852 PWs) bands (ev): -40.1054 -40.1054 -37.9390 -37.9390 -19.2145 -19.2145 -18.7494 -18.7494 -18.6043 -18.6043 -16.9996 -16.9996 -16.5341 -16.5341 -16.4403 -16.4403 -9.0748 -9.0748 -9.0412 -9.0412 0.4630 0.4630 0.6261 0.6261 3.7077 3.7077 3.7462 3.7462 4.4915 4.4915 5.0124 5.0124 5.3619 5.3619 5.5791 5.5791 6.3949 6.3949 6.4869 6.4869 7.9254 7.9254 7.9561 7.9561 8.5540 8.5540 9.3213 9.3213 12.1598 12.1598 12.3441 12.3441 12.7866 12.7866 13.0574 13.0574 13.4360 13.4360 k = 0.7200-0.5819-1.1413 ( 3846 PWs) bands (ev): -40.1065 -40.1065 -37.9399 -37.9399 -19.2107 -19.2107 -18.7465 -18.7465 -18.6006 -18.6006 -16.9972 -16.9972 -16.5326 -16.5326 -16.4365 -16.4365 -9.0734 -9.0734 -9.0551 -9.0551 0.3962 0.3962 0.5809 0.5809 3.7014 3.7014 3.7444 3.7444 4.5022 4.5022 5.0249 5.0249 5.4025 5.4025 5.5999 5.5999 6.4367 6.4367 6.5431 6.5431 7.9888 7.9888 8.0129 8.0129 8.5105 8.5105 9.3540 9.3540 12.1706 12.1706 12.3251 12.3251 12.7818 12.7818 13.0376 13.0376 13.4063 13.4063 k = 0.7149-0.5665-1.1137 ( 3852 PWs) bands (ev): -40.1077 -40.1077 -37.9409 -37.9409 -19.2066 -19.2066 -18.7437 -18.7437 -18.5968 -18.5968 -16.9948 -16.9948 -16.5310 -16.5310 -16.4327 -16.4327 -9.0781 -9.0781 -9.0634 -9.0634 0.3287 0.3287 0.5350 0.5350 3.6948 3.6948 3.7418 3.7418 4.5144 4.5144 5.0362 5.0362 5.4428 5.4428 5.6227 5.6227 6.4818 6.4818 6.6030 6.6030 8.0420 8.0420 8.0710 8.0710 8.4759 8.4759 9.3873 9.3873 12.1817 12.1817 12.3062 12.3062 12.7765 12.7765 13.0191 13.0191 13.3762 13.3762 k = 0.7098-0.5511-1.0860 ( 3850 PWs) bands (ev): -40.1089 -40.1089 -37.9420 -37.9420 -19.2022 -19.2022 -18.7408 -18.7408 -18.5928 -18.5928 -16.9922 -16.9922 -16.5292 -16.5292 -16.4288 -16.4288 -9.0929 -9.0929 -9.0621 -9.0621 0.2608 0.2608 0.4887 0.4887 3.6875 3.6875 3.7387 3.7387 4.5281 4.5281 5.0464 5.0464 5.4827 5.4827 5.6468 5.6468 6.5302 6.5302 6.6664 6.6664 8.0782 8.0782 8.1306 8.1306 8.4571 8.4571 9.4211 9.4211 12.1930 12.1930 12.2874 12.2874 12.7710 12.7710 13.0018 13.0018 13.3459 13.3459 k = 0.7047-0.5357-1.0584 ( 3848 PWs) bands (ev): -40.1102 -40.1102 -37.9430 -37.9430 -19.1976 -19.1976 -18.7378 -18.7378 -18.5888 -18.5888 -16.9895 -16.9895 -16.5273 -16.5273 -16.4249 -16.4249 -9.1106 -9.1106 -9.0583 -9.0583 0.1927 0.1927 0.4421 0.4421 3.6796 3.6796 3.7351 3.7351 4.5433 4.5433 5.0558 5.0558 5.5222 5.5222 5.6716 5.6716 6.5817 6.5817 6.7337 6.7337 8.0907 8.0907 8.1916 8.1916 8.4609 8.4609 9.4551 9.4551 12.2044 12.2044 12.2689 12.2689 12.7655 12.7655 12.9854 12.9854 13.3156 13.3156 k = 0.6996-0.5203-1.0307 ( 3840 PWs) bands (ev): -40.1115 -40.1115 -37.9441 -37.9441 -19.1928 -19.1928 -18.7348 -18.7348 -18.5847 -18.5847 -16.9867 -16.9867 -16.5252 -16.5252 -16.4209 -16.4209 -9.1296 -9.1296 -9.0536 -9.0536 0.1246 0.1246 0.3953 0.3953 3.6708 3.6708 3.7312 3.7312 4.5599 4.5599 5.0647 5.0647 5.5614 5.5614 5.6963 5.6963 6.6363 6.6363 6.8046 6.8046 8.0789 8.0789 8.2540 8.2540 8.4881 8.4881 9.4892 9.4892 12.2154 12.2154 12.2510 12.2510 12.7606 12.7606 12.9697 12.9697 13.2857 13.2858 k = 0.6944-0.5048-1.0031 ( 3848 PWs) bands (ev): -40.1128 -40.1128 -37.9453 -37.9453 -19.1878 -19.1878 -18.7317 -18.7317 -18.5805 -18.5805 -16.9838 -16.9838 -16.5230 -16.5230 -16.4169 -16.4169 -9.1496 -9.1496 -9.0483 -9.0483 0.0566 0.0566 0.3484 0.3484 3.6611 3.6611 3.7272 3.7272 4.5775 4.5775 5.0734 5.0734 5.6003 5.6003 5.7202 5.7202 6.6938 6.6938 6.8792 6.8792 8.0497 8.0497 8.3177 8.3177 8.5321 8.5321 9.5231 9.5231 12.2226 12.2226 12.2372 12.2372 12.7566 12.7566 12.9544 12.9544 13.2565 13.2565 k = 0.6893-0.4894-0.9754 ( 3844 PWs) bands (ev): -40.1141 -40.1141 -37.9464 -37.9464 -19.1827 -19.1827 -18.7284 -18.7284 -18.5763 -18.5763 -16.9809 -16.9809 -16.5207 -16.5207 -16.4128 -16.4128 -9.1704 -9.1704 -9.0424 -9.0424 -0.0110 -0.0110 0.3016 0.3016 3.6503 3.6503 3.7233 3.7233 4.5960 4.5960 5.0824 5.0824 5.6390 5.6390 5.7426 5.7426 6.7542 6.7542 6.9572 6.9572 8.0109 8.0109 8.3826 8.3826 8.5855 8.5855 9.5567 9.5567 12.2116 12.2116 12.2419 12.2419 12.7539 12.7539 12.9392 12.9392 13.2280 13.2280 k = 0.6842-0.4740-0.9478 ( 3838 PWs) bands (ev): -40.1155 -40.1155 -37.9476 -37.9476 -19.1775 -19.1775 -18.7251 -18.7251 -18.5719 -18.5719 -16.9780 -16.9780 -16.5182 -16.5182 -16.4087 -16.4087 -9.1921 -9.1921 -9.0361 -9.0361 -0.0781 -0.0781 0.2549 0.2549 3.6385 3.6385 3.7196 3.7196 4.6150 4.6150 5.0922 5.0922 5.6775 5.6775 5.7629 5.7629 6.8172 6.8172 7.0382 7.0382 7.9680 7.9680 8.4485 8.4485 8.6432 8.6432 9.5896 9.5896 12.1950 12.1950 12.2524 12.2524 12.7530 12.7530 12.9241 12.9241 13.2007 13.2007 k = 0.6791-0.4586-0.9201 ( 3840 PWs) bands (ev): -40.1169 -40.1169 -37.9488 -37.9488 -19.1722 -19.1722 -18.7216 -18.7216 -18.5675 -18.5675 -16.9750 -16.9750 -16.5156 -16.5156 -16.4046 -16.4046 -9.2145 -9.2145 -9.0293 -9.0293 -0.1445 -0.1445 0.2085 0.2085 3.6255 3.6255 3.7163 3.7163 4.6339 4.6339 5.1035 5.1035 5.7156 5.7156 5.7807 5.7807 6.8828 6.8828 7.1216 7.1216 7.9244 7.9244 8.5155 8.5155 8.7026 8.7026 9.6218 9.6218 12.1783 12.1783 12.2630 12.2630 12.7540 12.7540 12.9089 12.9089 13.1746 13.1746 k = 0.6740-0.4432-0.8925 ( 3842 PWs) bands (ev): -40.1184 -40.1184 -37.9500 -37.9500 -19.1669 -19.1669 -18.7179 -18.7179 -18.5631 -18.5631 -16.9721 -16.9721 -16.5129 -16.5129 -16.4004 -16.4004 -9.2375 -9.2375 -9.0221 -9.0221 -0.2102 -0.2102 0.1624 0.1624 3.6114 3.6114 3.7134 3.7134 4.6521 4.6521 5.1170 5.1170 5.7530 5.7530 5.7960 5.7960 6.9508 6.9508 7.2064 7.2064 7.8827 7.8827 8.5835 8.5835 8.7620 8.7620 9.6531 9.6531 12.1621 12.1621 12.2734 12.2734 12.7574 12.7574 12.8934 12.8934 13.1499 13.1499 k = 0.6689-0.4278-0.8648 ( 3848 PWs) bands (ev): -40.1198 -40.1198 -37.9513 -37.9513 -19.1617 -19.1617 -18.7140 -18.7140 -18.5586 -18.5586 -16.9691 -16.9691 -16.5101 -16.5101 -16.3962 -16.3962 -9.2611 -9.2611 -9.0145 -9.0145 -0.2750 -0.2750 0.1168 0.1168 3.5963 3.5963 3.7113 3.7113 4.6689 4.6689 5.1333 5.1333 5.7868 5.7868 5.8111 5.8111 7.0209 7.0209 7.2904 7.2904 7.8460 7.8460 8.6521 8.6521 8.8204 8.8204 9.6832 9.6832 12.1463 12.1463 12.2832 12.2832 12.7634 12.7634 12.8776 12.8776 13.1269 13.1269 k = 0.6637-0.4124-0.8372 ( 3840 PWs) bands (ev): -40.1213 -40.1213 -37.9525 -37.9525 -19.1564 -19.1564 -18.7100 -18.7100 -18.5541 -18.5541 -16.9662 -16.9662 -16.5071 -16.5071 -16.3919 -16.3919 -9.2851 -9.2851 -9.0066 -9.0066 -0.3388 -0.3388 0.0718 0.0718 3.5802 3.5802 3.7100 3.7100 4.6837 4.6837 5.1534 5.1534 5.8051 5.8051 5.8376 5.8376 7.0931 7.0931 7.3698 7.3698 7.8188 7.8188 8.7215 8.7215 8.8772 8.8772 9.7121 9.7121 12.1312 12.1312 12.2924 12.2924 12.7722 12.7722 12.8615 12.8615 13.1056 13.1056 k = 0.6586-0.3970-0.8095 ( 3838 PWs) bands (ev): -40.1228 -40.1228 -37.9538 -37.9538 -19.1513 -19.1513 -18.7057 -18.7057 -18.5495 -18.5495 -16.9633 -16.9633 -16.5041 -16.5041 -16.3876 -16.3876 -9.3096 -9.3096 -8.9984 -8.9984 -0.4014 -0.4014 0.0274 0.0274 3.5633 3.5633 3.7097 3.7097 4.6959 4.6959 5.1776 5.1776 5.8098 5.8098 5.8733 5.8733 7.1672 7.1672 7.4368 7.4368 7.8091 7.8091 8.7913 8.7913 8.9321 8.9321 9.7397 9.7397 12.1167 12.1167 12.3007 12.3007 12.7838 12.7838 12.8451 12.8451 13.0861 13.0861 k = 0.6535-0.3815-0.7819 ( 3830 PWs) bands (ev): -40.1243 -40.1243 -37.9551 -37.9551 -19.1464 -19.1464 -18.7013 -18.7013 -18.5448 -18.5448 -16.9605 -16.9605 -16.5010 -16.5010 -16.3833 -16.3833 -9.3344 -9.3344 -8.9899 -8.9899 -0.4628 -0.4628 -0.0162 -0.0162 3.5454 3.5454 3.7104 3.7104 4.7050 4.7050 5.2065 5.2065 5.8084 5.8084 5.9103 5.9103 7.2430 7.2430 7.4803 7.4803 7.8281 7.8281 8.8614 8.8614 8.9847 8.9847 9.7660 9.7660 12.1030 12.1030 12.3080 12.3080 12.7985 12.7985 12.8287 12.8287 13.0684 13.0684 k = 0.6484-0.3661-0.7543 ( 3832 PWs) bands (ev): -40.1258 -40.1258 -37.9563 -37.9563 -19.1416 -19.1416 -18.6967 -18.6967 -18.5401 -18.5401 -16.9578 -16.9578 -16.4978 -16.4978 -16.3789 -16.3789 -9.3595 -9.3595 -8.9812 -8.9812 -0.5229 -0.5229 -0.0591 -0.0591 3.5269 3.5269 3.7123 3.7123 4.7109 4.7109 5.2401 5.2401 5.8019 5.8019 5.9475 5.9475 7.3202 7.3202 7.4947 7.4947 7.8816 7.8816 8.9314 8.9314 9.0348 9.0348 9.7909 9.7909 12.0900 12.0900 12.3141 12.3141 12.8114 12.8114 12.8168 12.8168 13.0526 13.0526 k = 0.6433-0.3507-0.7266 ( 3830 PWs) bands (ev): -40.1273 -40.1273 -37.9576 -37.9576 -19.1370 -19.1370 -18.6918 -18.6918 -18.5354 -18.5354 -16.9551 -16.9551 -16.4945 -16.4945 -16.3745 -16.3745 -9.3847 -9.3847 -8.9723 -8.9723 -0.5816 -0.5816 -0.1011 -0.1011 3.5078 3.5078 3.7156 3.7156 4.7136 4.7136 5.2785 5.2785 5.7906 5.7906 5.9845 5.9845 7.3987 7.3987 7.4877 7.4877 7.9618 7.9618 9.0011 9.0011 9.0823 9.0823 9.8146 9.8146 12.0778 12.0778 12.3189 12.3189 12.7955 12.7955 12.8369 12.8369 13.0387 13.0387 k = 0.6382-0.3353-0.6990 ( 3828 PWs) bands (ev): -40.1287 -40.1287 -37.9589 -37.9589 -19.1326 -19.1326 -18.6868 -18.6868 -18.5306 -18.5306 -16.9525 -16.9525 -16.4912 -16.4912 -16.3700 -16.3700 -9.4100 -9.4100 -8.9632 -8.9632 -0.6389 -0.6389 -0.1422 -0.1422 3.4883 3.4883 3.7202 3.7202 4.7134 4.7134 5.3212 5.3212 5.7746 5.7746 6.0211 6.0211 7.4684 7.4684 7.4796 7.4796 8.0580 8.0580 9.0700 9.0700 9.1271 9.1271 9.8374 9.8374 12.0665 12.0665 12.3222 12.3222 12.7794 12.7794 12.8604 12.8604 13.0265 13.0265 k = 0.6330-0.3199-0.6713 ( 3830 PWs) bands (ev): -40.1302 -40.1302 -37.9601 -37.9601 -19.1285 -19.1285 -18.6817 -18.6817 -18.5257 -18.5257 -16.9501 -16.9501 -16.4879 -16.4879 -16.3655 -16.3655 -9.4354 -9.4354 -8.9541 -8.9541 -0.6945 -0.6945 -0.1822 -0.1822 3.4683 3.4683 3.7262 3.7262 4.7105 4.7105 5.3679 5.3679 5.7540 5.7540 6.0572 6.0572 7.4469 7.4469 7.5592 7.5592 8.1635 8.1635 9.1377 9.1377 9.1692 9.1692 9.8595 9.8595 12.0560 12.0560 12.3238 12.3238 12.7638 12.7638 12.8865 12.8865 13.0161 13.0161 k = 0.6279-0.3045-0.6437 ( 3820 PWs) bands (ev): -40.1317 -40.1317 -37.9614 -37.9614 -19.1246 -19.1246 -18.6764 -18.6764 -18.5207 -18.5207 -16.9477 -16.9477 -16.4846 -16.4846 -16.3610 -16.3610 -9.4607 -9.4607 -8.9448 -8.9448 -0.7486 -0.7486 -0.2212 -0.2212 3.4481 3.4481 3.7338 3.7338 4.7054 4.7054 5.4182 5.4182 5.7290 5.7290 6.0927 6.0927 7.4230 7.4230 7.6405 7.6405 8.2747 8.2747 9.2031 9.2031 9.2090 9.2090 9.8814 9.8814 12.0465 12.0465 12.3234 12.3234 12.7489 12.7489 12.9151 12.9151 13.0074 13.0074 k = 0.6228-0.2891-0.6160 ( 3824 PWs) bands (ev): -40.1331 -40.1331 -37.9626 -37.9626 -19.1210 -19.1210 -18.6710 -18.6710 -18.5157 -18.5157 -16.9455 -16.9455 -16.4812 -16.4812 -16.3565 -16.3565 -9.4858 -9.4858 -8.9355 -8.9355 -0.8010 -0.8010 -0.2591 -0.2591 3.4278 3.4278 3.7430 3.7430 4.6985 4.6985 5.4715 5.4715 5.6999 5.6999 6.1275 6.1275 7.3994 7.3994 7.7223 7.7223 8.3896 8.3896 9.2455 9.2455 9.2665 9.2665 9.9038 9.9038 12.0378 12.0378 12.3210 12.3210 12.7349 12.7349 12.9457 12.9457 13.0003 13.0003 k = 0.6177-0.2737-0.5884 ( 3818 PWs) bands (ev): -40.1345 -40.1345 -37.9638 -37.9638 -19.1176 -19.1176 -18.6656 -18.6656 -18.5106 -18.5106 -16.9434 -16.9434 -16.4779 -16.4779 -16.3519 -16.3519 -9.5107 -9.5107 -8.9263 -8.9263 -0.8517 -0.8517 -0.2958 -0.2958 3.4075 3.4075 3.7539 3.7539 4.6900 4.6900 5.5273 5.5273 5.6669 5.6669 6.1615 6.1615 7.3766 7.3766 7.8044 7.8044 8.5070 8.5070 9.2802 9.2802 9.3256 9.3256 9.9276 9.9276 12.0301 12.0301 12.3164 12.3164 12.7221 12.7221 12.9777 12.9777 12.9950 12.9950 k = 0.6126-0.2582-0.5607 ( 3818 PWs) bands (ev): -40.1359 -40.1359 -37.9650 -37.9650 -19.1146 -19.1146 -18.6602 -18.6602 -18.5054 -18.5054 -16.9414 -16.9414 -16.4747 -16.4747 -16.3474 -16.3474 -9.5353 -9.5353 -8.9171 -8.9171 -0.9005 -0.9005 -0.3313 -0.3313 3.3872 3.3872 3.7664 3.7664 4.6803 4.6803 5.5847 5.5847 5.6309 5.6309 6.1947 6.1947 7.3551 7.3551 7.8866 7.8866 8.6258 8.6258 9.3128 9.3128 9.3800 9.3800 9.9537 9.9537 12.0234 12.0234 12.3095 12.3095 12.7105 12.7105 12.9894 12.9894 13.0123 13.0123 k = 0.6075-0.2428-0.5331 ( 3826 PWs) bands (ev): -40.1373 -40.1373 -37.9662 -37.9662 -19.1119 -19.1119 -18.6548 -18.6548 -18.5001 -18.5001 -16.9396 -16.9396 -16.4715 -16.4715 -16.3428 -16.3428 -9.5595 -9.5595 -8.9080 -8.9080 -0.9475 -0.9475 -0.3655 -0.3655 3.3671 3.3671 3.7807 3.7807 4.6697 4.6697 5.5890 5.5890 5.6464 5.6464 6.2269 6.2269 7.3349 7.3349 7.9685 7.9685 8.7451 8.7451 9.3438 9.3438 9.4284 9.4284 9.9832 9.9832 12.0175 12.0175 12.3004 12.3004 12.7003 12.7003 12.9865 12.9865 13.0462 13.0462 k = 0.6023-0.2274-0.5054 ( 3824 PWs) bands (ev): -40.1387 -40.1387 -37.9673 -37.9673 -19.1094 -19.1094 -18.6494 -18.6494 -18.4948 -18.4948 -16.9378 -16.9378 -16.4684 -16.4684 -16.3383 -16.3383 -9.5832 -9.5832 -8.8990 -8.8990 -0.9927 -0.9927 -0.3985 -0.3985 3.3473 3.3473 3.7967 3.7967 4.6584 4.6584 5.5466 5.5466 5.7071 5.7071 6.2582 6.2582 7.3161 7.3161 8.0502 8.0502 8.8636 8.8636 9.3742 9.3742 9.4698 9.4698 10.0169 10.0169 12.0126 12.0126 12.2891 12.2891 12.6913 12.6913 12.9843 12.9843 13.0802 13.0802 k = 0.5972-0.2120-0.4778 ( 3822 PWs) bands (ev): -40.1400 -40.1400 -37.9684 -37.9684 -19.1072 -19.1072 -18.6442 -18.6442 -18.4894 -18.4894 -16.9362 -16.9362 -16.4653 -16.4653 -16.3337 -16.3337 -9.6063 -9.6063 -8.8902 -8.8902 -1.0359 -1.0359 -0.4300 -0.4300 3.3279 3.3279 3.8146 3.8146 4.6467 4.6467 5.5012 5.5012 5.7690 5.7690 6.2884 6.2884 7.2985 7.2985 8.1312 8.1312 8.9795 8.9795 9.4054 9.4054 9.5036 9.5036 10.0553 10.0553 12.0086 12.0086 12.2758 12.2758 12.6836 12.6836 12.9830 12.9830 13.1135 13.1135 k = 0.5921-0.1966-0.4501 ( 3826 PWs) bands (ev): -40.1412 -40.1412 -37.9695 -37.9695 -19.1052 -19.1052 -18.6391 -18.6391 -18.4840 -18.4840 -16.9347 -16.9347 -16.4624 -16.4624 -16.3293 -16.3293 -9.6288 -9.6288 -8.8815 -8.8815 -1.0771 -1.0771 -0.4602 -0.4602 3.3090 3.3090 3.8343 3.8343 4.6347 4.6347 5.4534 5.4534 5.8315 5.8315 6.3174 6.3174 7.2821 7.2821 8.2112 8.2112 9.0899 9.0899 9.4400 9.4400 9.5295 9.5295 10.0986 10.0986 12.0055 12.0055 12.2609 12.2609 12.6770 12.6770 12.9825 12.9825 13.1452 13.1452 k = 0.5870-0.1812-0.4225 ( 3828 PWs) bands (ev): -40.1424 -40.1424 -37.9705 -37.9705 -19.1035 -19.1035 -18.6342 -18.6342 -18.4785 -18.4785 -16.9334 -16.9334 -16.4596 -16.4596 -16.3249 -16.3249 -9.6506 -9.6506 -8.8732 -8.8732 -1.1163 -1.1163 -0.4889 -0.4889 3.2906 3.2906 3.8558 3.8558 4.6225 4.6225 5.4037 5.4037 5.8942 5.8942 6.3452 6.3452 7.2669 7.2669 8.2900 8.2900 9.1894 9.1894 9.4832 9.4832 9.5481 9.5481 10.1461 10.1461 12.0033 12.0033 12.2445 12.2445 12.6713 12.6713 12.9826 12.9826 13.1746 13.1746 k = 0.5819-0.1658-0.3949 ( 3828 PWs) bands (ev): -40.1436 -40.1436 -37.9715 -37.9715 -19.1020 -19.1020 -18.6295 -18.6295 -18.4730 -18.4730 -16.9321 -16.9321 -16.4569 -16.4569 -16.3205 -16.3205 -9.6716 -9.6716 -8.8651 -8.8651 -1.1535 -1.1535 -0.5161 -0.5161 3.2728 3.2728 3.8792 3.8792 4.6105 4.6105 5.3523 5.3523 5.9566 5.9566 6.3717 6.3717 7.2526 7.2526 8.3674 8.3674 9.2703 9.2703 9.5421 9.5421 9.5603 9.5603 10.1969 10.1969 12.0018 12.0018 12.2270 12.2270 12.6663 12.6663 12.9832 12.9832 13.2010 13.2010 k = 0.5768-0.1504-0.3672 ( 3826 PWs) bands (ev): -40.1447 -40.1447 -37.9724 -37.9724 -19.1007 -19.1007 -18.6250 -18.6250 -18.4676 -18.4676 -16.9310 -16.9310 -16.4544 -16.4544 -16.3163 -16.3163 -9.6917 -9.6917 -8.8573 -8.8573 -1.1885 -1.1885 -0.5419 -0.5419 3.2557 3.2557 3.9043 3.9043 4.5986 4.5986 5.2996 5.2996 6.0184 6.0184 6.3968 6.3968 7.2393 7.2393 8.4430 8.4430 9.3279 9.3279 9.5659 9.5659 9.6221 9.6221 10.2499 10.2499 12.0011 12.0011 12.2089 12.2089 12.6620 12.6620 12.9841 12.9841 13.2237 13.2237 k = 0.5716-0.1349-0.3396 ( 3822 PWs) bands (ev): -40.1458 -40.1458 -37.9733 -37.9733 -19.0996 -19.0996 -18.6208 -18.6208 -18.4622 -18.4622 -16.9300 -16.9300 -16.4520 -16.4520 -16.3122 -16.3122 -9.7109 -9.7109 -8.8498 -8.8498 -1.2215 -1.2215 -0.5661 -0.5661 3.2394 3.2394 3.9314 3.9314 4.5871 4.5871 5.2458 5.2458 6.0791 6.0791 6.4206 6.4206 7.2269 7.2269 8.5165 8.5165 9.3658 9.3658 9.5676 9.5676 9.7179 9.7179 10.3039 10.3039 12.0011 12.0011 12.1903 12.1903 12.6582 12.6582 12.9852 12.9852 13.2426 13.2426 k = 0.5665-0.1195-0.3119 ( 3818 PWs) bands (ev): -40.1467 -40.1467 -37.9742 -37.9742 -19.0986 -19.0986 -18.6169 -18.6169 -18.4569 -18.4569 -16.9290 -16.9290 -16.4497 -16.4497 -16.3083 -16.3083 -9.7291 -9.7291 -8.8427 -8.8427 -1.2523 -1.2523 -0.5888 -0.5888 3.2240 3.2240 3.9602 3.9602 4.5759 4.5759 5.1911 5.1911 6.1383 6.1383 6.4429 6.4429 7.2153 7.2153 8.5875 8.5875 9.3912 9.3912 9.5653 9.5653 9.8225 9.8225 10.3579 10.3579 12.0018 12.0018 12.1717 12.1717 12.6546 12.6546 12.9864 12.9864 13.2573 13.2573 k = 0.5614-0.1041-0.2843 ( 3820 PWs) bands (ev): -40.1477 -40.1477 -37.9750 -37.9750 -19.0978 -19.0978 -18.6132 -18.6132 -18.4518 -18.4518 -16.9282 -16.9282 -16.4476 -16.4476 -16.3045 -16.3045 -9.7462 -9.7462 -8.8360 -8.8360 -1.2809 -1.2809 -0.6099 -0.6099 3.2095 3.2095 3.9909 3.9909 4.5652 4.5652 5.1359 5.1359 6.1956 6.1956 6.4638 6.4638 7.2045 7.2045 8.6557 8.6557 9.4092 9.4092 9.5601 9.5601 9.9303 9.9303 10.4109 10.4109 12.0030 12.0030 12.1533 12.1533 12.6513 12.6513 12.9875 12.9875 13.2682 13.2682 k = 0.5563-0.0887-0.2566 ( 3816 PWs) bands (ev): -40.1486 -40.1486 -37.9757 -37.9757 -19.0972 -19.0972 -18.6099 -18.6099 -18.4468 -18.4468 -16.9275 -16.9275 -16.4457 -16.4457 -16.3009 -16.3009 -9.7622 -9.7622 -8.8298 -8.8298 -1.3073 -1.3073 -0.6293 -0.6293 3.1959 3.1959 4.0233 4.0233 4.5551 4.5551 5.0802 5.0802 6.2506 6.2506 6.4831 6.4831 7.1946 7.1946 8.7207 8.7207 9.4225 9.4225 9.5526 9.5526 10.0380 10.0380 10.4620 10.4620 12.0047 12.0047 12.1355 12.1355 12.6481 12.6481 12.9883 12.9883 13.2755 13.2755 k = 0.5512-0.0733-0.2290 ( 3816 PWs) bands (ev): -40.1494 -40.1494 -37.9764 -37.9764 -19.0966 -19.0966 -18.6068 -18.6068 -18.4421 -18.4421 -16.9268 -16.9268 -16.4439 -16.4439 -16.2976 -16.2976 -9.7770 -9.7770 -8.8240 -8.8240 -1.3315 -1.3315 -0.6472 -0.6472 3.1833 3.1833 4.0574 4.0574 4.5457 4.5457 5.0244 5.0244 6.3028 6.3028 6.5009 6.5009 7.1854 7.1854 8.7821 8.7821 9.4328 9.4328 9.5435 9.5435 10.1433 10.1433 10.5104 10.5104 12.0069 12.0069 12.1185 12.1185 12.6451 12.6451 12.9888 12.9888 13.2797 13.2797 k = 0.5461-0.0579-0.2013 ( 3810 PWs) bands (ev): -40.1501 -40.1501 -37.9770 -37.9770 -19.0962 -19.0962 -18.6041 -18.6041 -18.4377 -18.4377 -16.9262 -16.9262 -16.4423 -16.4423 -16.2945 -16.2945 -9.7906 -9.7906 -8.8187 -8.8187 -1.3535 -1.3535 -0.6634 -0.6634 3.1718 3.1718 4.0933 4.0933 4.5370 4.5370 4.9685 4.9685 6.3517 6.3517 6.5171 6.5171 7.1770 7.1770 8.8396 8.8396 9.4407 9.4407 9.5334 9.5334 10.2447 10.2447 10.5557 10.5557 12.0094 12.0094 12.1025 12.1025 12.6422 12.6422 12.9887 12.9887 13.2817 13.2817 k = 0.5409-0.0425-0.1737 ( 3812 PWs) bands (ev): -40.1508 -40.1508 -37.9776 -37.9776 -19.0958 -19.0958 -18.6016 -18.6016 -18.4336 -18.4336 -16.9257 -16.9257 -16.4409 -16.4409 -16.2916 -16.2916 -9.8029 -9.8029 -8.8139 -8.8139 -1.3732 -1.3732 -0.6780 -0.6780 3.1614 3.1614 4.1309 4.1309 4.5290 4.5290 4.9127 4.9127 6.3969 6.3969 6.5317 6.5317 7.1694 7.1694 8.8926 8.8926 9.4470 9.4470 9.5226 9.5226 10.3408 10.3408 10.5972 10.5972 12.0121 12.0121 12.0877 12.0877 12.6394 12.6394 12.9880 12.9880 13.2819 13.2819 k = 0.5358-0.0271-0.1460 ( 3812 PWs) bands (ev): -40.1514 -40.1514 -37.9781 -37.9781 -19.0956 -19.0956 -18.5995 -18.5995 -18.4299 -18.4299 -16.9253 -16.9253 -16.4396 -16.4396 -16.2891 -16.2891 -9.8138 -9.8138 -8.8096 -8.8096 -1.3906 -1.3906 -0.6908 -0.6908 3.1521 3.1521 4.1701 4.1701 4.5219 4.5219 4.8572 4.8572 6.4379 6.4379 6.5449 6.5449 7.1627 7.1627 8.9409 8.9409 9.4520 9.4520 9.5117 9.5117 10.4301 10.4301 10.6345 10.6345 12.0150 12.0150 12.0744 12.0744 12.6368 12.6368 12.9866 12.9866 13.2810 13.2810 k = 0.5307-0.0116-0.1184 ( 3818 PWs) bands (ev): -40.1519 -40.1519 -37.9786 -37.9786 -19.0954 -19.0954 -18.5976 -18.5976 -18.4266 -18.4266 -16.9250 -16.9250 -16.4385 -16.4385 -16.2868 -16.2868 -9.8234 -9.8234 -8.8058 -8.8058 -1.4057 -1.4057 -0.7020 -0.7020 3.1440 3.1440 4.2108 4.2108 4.5156 4.5156 4.8021 4.8021 6.4741 6.4741 6.5566 6.5566 7.1568 7.1568 8.9839 8.9839 9.4558 9.4558 9.5011 9.5011 10.5114 10.5114 10.6673 10.6673 12.0179 12.0179 12.0626 12.0626 12.6344 12.6344 12.9845 12.9845 13.2795 13.2795 k = 0.5256 0.0038-0.0908 ( 3808 PWs) bands (ev): -40.1523 -40.1523 -37.9789 -37.9789 -19.0952 -19.0952 -18.5961 -18.5961 -18.4237 -18.4237 -16.9246 -16.9246 -16.4376 -16.4376 -16.2849 -16.2849 -9.8315 -9.8315 -8.8026 -8.8026 -1.4186 -1.4186 -0.7115 -0.7115 3.1371 3.1371 4.2531 4.2531 4.5103 4.5103 4.7476 4.7476 6.5051 6.5051 6.5670 6.5670 7.1518 7.1518 9.0213 9.0213 9.4589 9.4589 9.4912 9.4912 10.5833 10.5833 10.6954 10.6954 12.0208 12.0208 12.0525 12.0525 12.6322 12.6322 12.9816 12.9816 13.2778 13.2778 k = 0.5205 0.0192-0.0631 ( 3804 PWs) bands (ev): -40.1527 -40.1527 -37.9792 -37.9792 -19.0951 -19.0951 -18.5948 -18.5948 -18.4213 -18.4213 -16.9244 -16.9244 -16.4368 -16.4368 -16.2833 -16.2833 -9.8382 -9.8382 -8.7999 -8.7999 -1.4291 -1.4291 -0.7193 -0.7193 3.1314 3.1314 4.2969 4.2969 4.5059 4.5059 4.6938 4.6938 6.5302 6.5302 6.5763 6.5763 7.1477 7.1477 9.0526 9.0526 9.4611 9.4611 9.4824 9.4824 10.6444 10.6444 10.7186 10.7186 12.0235 12.0235 12.0441 12.0441 12.6304 12.6304 12.9783 12.9783 13.2761 13.2761 k = 0.5154 0.0346-0.0355 ( 3800 PWs) bands (ev): -40.1530 -40.1530 -37.9795 -37.9795 -19.0950 -19.0950 -18.5938 -18.5938 -18.4194 -18.4194 -16.9242 -16.9242 -16.4362 -16.4362 -16.2820 -16.2820 -9.8435 -9.8435 -8.7979 -8.7979 -1.4372 -1.4372 -0.7254 -0.7254 3.1270 3.1270 4.3421 4.3421 4.5024 4.5024 4.6409 4.6409 6.5488 6.5488 6.5848 6.5848 7.1445 7.1445 9.0776 9.0776 9.4628 9.4628 9.4752 9.4752 10.6934 10.6934 10.7369 10.7369 12.0258 12.0258 12.0376 12.0376 12.6289 12.6289 12.9750 12.9750 13.2747 13.2747 k = 0.5102 0.0500-0.0078 ( 3796 PWs) bands (ev): -40.1532 -40.1532 -37.9797 -37.9797 -19.0949 -19.0949 -18.5931 -18.5931 -18.4180 -18.4180 -16.9241 -16.9241 -16.4357 -16.4357 -16.2811 -16.2811 -9.8472 -9.8472 -8.7964 -8.7964 -1.4431 -1.4431 -0.7297 -0.7297 3.1238 3.1238 4.3884 4.3884 4.4999 4.4999 4.5889 4.5889 6.5609 6.5609 6.5922 6.5922 7.1422 7.1422 9.0957 9.0957 9.4638 9.4638 9.4698 9.4698 10.7289 10.7289 10.7504 10.7504 12.0275 12.0275 12.0329 12.0329 12.6278 12.6278 12.9720 12.9720 13.2736 13.2736 k = 0.5051 0.0654 0.0198 ( 3798 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0949 -19.0949 -18.5927 -18.5927 -18.4172 -18.4172 -16.9240 -16.9240 -16.4355 -16.4355 -16.2805 -16.2805 -9.8495 -9.8495 -8.7955 -8.7955 -1.4466 -1.4466 -0.7323 -0.7323 3.1219 3.1219 4.4355 4.4355 4.4981 4.4981 4.5387 4.5387 6.5674 6.5674 6.5975 6.5975 7.1408 7.1408 9.1067 9.1067 9.4640 9.4640 9.4668 9.4668 10.7490 10.7490 10.7601 10.7601 12.0286 12.0286 12.0301 12.0301 12.6271 12.6271 12.9699 12.9699 13.2730 13.2740 k = 0.5000 0.0808 0.0475 ( 3800 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0949 -19.0949 -18.5925 -18.5925 -18.4169 -18.4169 -16.9240 -16.9240 -16.4354 -16.4354 -16.2803 -16.2803 -9.8502 -9.8502 -8.7952 -8.7952 -1.4478 -1.4478 -0.7332 -0.7332 3.1212 3.1212 4.4746 4.4746 4.4910 4.4910 4.5051 4.5051 6.5694 6.5694 6.5995 6.5995 7.1403 7.1403 9.1104 9.1104 9.4637 9.4637 9.4662 9.4662 10.7545 10.7545 10.7646 10.7646 12.0288 12.0288 12.0294 12.0294 12.6269 12.6269 12.9692 12.9692 13.2723 13.2727 k = 0.5000 0.0808 0.0475 ( 3800 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0949 -19.0949 -18.5925 -18.5925 -18.4169 -18.4169 -16.9240 -16.9240 -16.4354 -16.4354 -16.2803 -16.2803 -9.8502 -9.8502 -8.7952 -8.7952 -1.4478 -1.4478 -0.7332 -0.7332 3.1212 3.1212 4.4746 4.4746 4.4910 4.4910 4.5051 4.5051 6.5694 6.5694 6.5995 6.5995 7.1403 7.1403 9.1104 9.1104 9.4637 9.4637 9.4662 9.4662 10.7545 10.7545 10.7646 10.7646 12.0288 12.0288 12.0294 12.0294 12.6269 12.6269 12.9692 12.9692 13.2723 13.2730 k = 0.4688 0.0758 0.0445 ( 3800 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0949 -19.0949 -18.5925 -18.5925 -18.4169 -18.4169 -16.9240 -16.9240 -16.4354 -16.4354 -16.2803 -16.2803 -9.8502 -9.8502 -8.7952 -8.7952 -1.4483 -1.4483 -0.7324 -0.7324 3.1185 3.1185 4.4791 4.4791 4.4910 4.4910 4.5051 4.5051 6.5694 6.5694 6.5995 6.5995 7.1352 7.1352 9.1151 9.1151 9.4636 9.4636 9.4661 9.4661 10.7547 10.7547 10.7648 10.7648 12.0285 12.0285 12.0292 12.0292 12.6218 12.6218 12.9717 12.9717 13.2727 13.2730 k = 0.4375 0.0707 0.0415 ( 3793 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0948 -19.0948 -18.5925 -18.5925 -18.4169 -18.4169 -16.9240 -16.9240 -16.4354 -16.4354 -16.2803 -16.2803 -9.8502 -9.8502 -8.7952 -8.7952 -1.4497 -1.4497 -0.7300 -0.7300 3.1105 3.1105 4.4909 4.4909 4.4926 4.4926 4.5051 4.5051 6.5694 6.5694 6.5995 6.5995 7.1201 7.1201 9.1289 9.1289 9.4634 9.4634 9.4659 9.4659 10.7554 10.7554 10.7655 10.7655 12.0279 12.0279 12.0285 12.0285 12.6070 12.6070 12.9788 12.9788 13.2722 13.2732 k = 0.4062 0.0657 0.0386 ( 3793 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0948 -19.0948 -18.5925 -18.5925 -18.4169 -18.4169 -16.9240 -16.9240 -16.4354 -16.4354 -16.2803 -16.2803 -9.8503 -9.8503 -8.7951 -8.7951 -1.4521 -1.4521 -0.7261 -0.7261 3.0976 3.0976 4.4910 4.4910 4.5051 4.5051 4.5140 4.5140 6.5695 6.5695 6.5995 6.5995 7.0957 7.0957 9.1512 9.1512 9.4631 9.4631 9.4655 9.4655 10.7565 10.7565 10.7666 10.7666 12.0269 12.0269 12.0275 12.0275 12.5841 12.5841 12.9891 12.9891 13.2722 13.2729 k = 0.3750 0.0606 0.0356 ( 3790 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0948 -19.0948 -18.5925 -18.5925 -18.4169 -18.4169 -16.9239 -16.9239 -16.4354 -16.4354 -16.2803 -16.2803 -9.8503 -9.8503 -8.7951 -8.7951 -1.4553 -1.4553 -0.7209 -0.7209 3.0808 3.0808 4.4910 4.4910 4.5051 4.5051 4.5427 4.5427 6.5695 6.5695 6.5996 6.5996 7.0632 7.0632 9.1808 9.1808 9.4626 9.4626 9.4650 9.4650 10.7580 10.7580 10.7681 10.7681 12.0255 12.0255 12.0260 12.0260 12.5546 12.5546 13.0015 13.0015 13.2723 13.2731 k = 0.3438 0.0556 0.0326 ( 3784 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0948 -19.0948 -18.5925 -18.5925 -18.4169 -18.4169 -16.9239 -16.9239 -16.4354 -16.4354 -16.2803 -16.2803 -9.8503 -9.8503 -8.7950 -8.7950 -1.4591 -1.4591 -0.7147 -0.7147 3.0610 3.0610 4.4911 4.4911 4.5051 4.5051 4.5776 4.5776 6.5695 6.5695 6.5996 6.5996 7.0239 7.0239 9.2163 9.2163 9.4620 9.4620 9.4644 9.4644 10.7598 10.7598 10.7699 10.7699 12.0238 12.0238 12.0243 12.0243 12.5205 12.5205 13.0146 13.0146 13.2724 13.2732 k = 0.3125 0.0505 0.0297 ( 3778 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0948 -19.0948 -18.5925 -18.5925 -18.4169 -18.4169 -16.9239 -16.9239 -16.4354 -16.4354 -16.2803 -16.2803 -9.8503 -9.8503 -8.7950 -8.7950 -1.4634 -1.4634 -0.7076 -0.7076 3.0392 3.0392 4.4911 4.4911 4.5051 4.5051 4.6172 4.6172 6.5696 6.5696 6.5996 6.5996 6.9795 6.9795 9.2562 9.2562 9.4613 9.4613 9.4637 9.4637 10.7618 10.7618 10.7720 10.7720 12.0218 12.0218 12.0223 12.0223 12.4833 12.4833 13.0276 13.0276 13.2723 13.2732 k = 0.2812 0.0455 0.0267 ( 3769 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0948 -19.0948 -18.5925 -18.5925 -18.4169 -18.4169 -16.9239 -16.9239 -16.4353 -16.4353 -16.2803 -16.2803 -9.8504 -9.8504 -8.7949 -8.7949 -1.4680 -1.4680 -0.7000 -0.7000 3.0163 3.0163 4.4911 4.4911 4.5051 4.5051 4.6601 4.6601 6.5696 6.5696 6.5997 6.5997 6.9314 6.9314 9.2988 9.2988 9.4605 9.4605 9.4629 9.4629 10.7640 10.7640 10.7742 10.7742 12.0197 12.0197 12.0201 12.0201 12.4443 12.4443 13.0399 13.0399 13.2723 13.2730 k = 0.2500 0.0404 0.0237 ( 3757 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0947 -19.0947 -18.5925 -18.5925 -18.4169 -18.4169 -16.9238 -16.9238 -16.4353 -16.4353 -16.2803 -16.2803 -9.8504 -9.8504 -8.7948 -8.7948 -1.4726 -1.4726 -0.6922 -0.6922 2.9934 2.9934 4.4911 4.4911 4.5052 4.5052 4.7049 4.7049 6.5697 6.5697 6.5997 6.5997 6.8814 6.8814 9.3425 9.3425 9.4598 9.4598 9.4622 9.4622 10.7664 10.7664 10.7766 10.7766 12.0174 12.0174 12.0179 12.0179 12.4049 12.4049 13.0513 13.0513 13.2729 13.2730 k = 0.2188 0.0354 0.0208 ( 3757 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0947 -19.0947 -18.5925 -18.5925 -18.4169 -18.4169 -16.9238 -16.9238 -16.4353 -16.4353 -16.2803 -16.2803 -9.8505 -9.8505 -8.7947 -8.7947 -1.4772 -1.4772 -0.6844 -0.6844 2.9711 2.9711 4.4911 4.4911 4.5051 4.5051 4.7501 4.7501 6.5697 6.5697 6.5998 6.5998 6.8312 6.8312 9.3857 9.3857 9.4590 9.4590 9.4614 9.4614 10.7687 10.7687 10.7789 10.7789 12.0152 12.0152 12.0156 12.0156 12.3662 12.3662 13.0613 13.0613 13.2724 13.2732 k = 0.1875 0.0303 0.0178 ( 3769 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0947 -19.0947 -18.5925 -18.5925 -18.4170 -18.4170 -16.9239 -16.9239 -16.4353 -16.4353 -16.2803 -16.2803 -9.8505 -9.8505 -8.7947 -8.7947 -1.4815 -1.4815 -0.6770 -0.6770 2.9504 2.9504 4.4910 4.4910 4.5050 4.5050 4.7941 4.7941 6.5698 6.5698 6.5998 6.5998 6.7825 6.7825 9.4269 9.4269 9.4582 9.4582 9.4606 9.4606 10.7709 10.7709 10.7812 10.7812 12.0130 12.0130 12.0134 12.0134 12.3295 12.3295 13.0700 13.0700 13.2724 13.2731 k = 0.1562 0.0253 0.0148 ( 3769 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0947 -19.0947 -18.5925 -18.5925 -18.4170 -18.4170 -16.9239 -16.9239 -16.4353 -16.4353 -16.2803 -16.2803 -9.8505 -9.8505 -8.7946 -8.7946 -1.4855 -1.4855 -0.6702 -0.6702 2.9318 2.9318 4.4910 4.4910 4.5050 4.5050 4.8353 4.8353 6.5699 6.5699 6.5999 6.5999 6.7371 6.7371 9.4575 9.4575 9.4600 9.4600 9.4647 9.4647 10.7730 10.7730 10.7833 10.7833 12.0111 12.0111 12.0114 12.0114 12.2959 12.2959 13.0774 13.0774 13.2723 13.2731 k = 0.1250 0.0202 0.0119 ( 3751 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0947 -19.0947 -18.5924 -18.5924 -18.4169 -18.4169 -16.9238 -16.9238 -16.4353 -16.4353 -16.2803 -16.2803 -9.8506 -9.8506 -8.7946 -8.7946 -1.4889 -1.4889 -0.6643 -0.6643 2.9159 2.9159 4.4911 4.4911 4.5051 4.5051 4.8720 4.8720 6.5699 6.5699 6.5999 6.5999 6.6968 6.6968 9.4570 9.4570 9.4594 9.4594 9.4977 9.4977 10.7748 10.7748 10.7851 10.7851 12.0093 12.0093 12.0097 12.0097 12.2667 12.2667 13.0833 13.0833 13.2724 13.2729 k = 0.0938 0.0152 0.0089 ( 3775 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0948 -19.0948 -18.5925 -18.5925 -18.4170 -18.4170 -16.9239 -16.9239 -16.4354 -16.4354 -16.2804 -16.2804 -9.8506 -9.8506 -8.7945 -8.7945 -1.4917 -1.4917 -0.6595 -0.6595 2.9031 2.9031 4.4909 4.4909 4.5050 4.5050 4.9027 4.9027 6.5700 6.5700 6.5999 6.5999 6.6631 6.6631 9.4564 9.4564 9.4589 9.4589 9.5247 9.5247 10.7763 10.7763 10.7866 10.7866 12.0078 12.0078 12.0082 12.0082 12.2426 12.2426 13.0879 13.0879 13.2724 13.2729 k = 0.0625 0.0101 0.0059 ( 3778 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0948 -19.0948 -18.5925 -18.5925 -18.4170 -18.4170 -16.9239 -16.9239 -16.4354 -16.4354 -16.2804 -16.2804 -9.8506 -9.8506 -8.7945 -8.7945 -1.4937 -1.4937 -0.6559 -0.6559 2.8937 2.8937 4.4909 4.4909 4.5050 4.5050 4.9259 4.9259 6.5700 6.5700 6.6000 6.6000 6.6377 6.6377 9.4561 9.4561 9.4585 9.4585 9.5448 9.5448 10.7774 10.7774 10.7878 10.7878 12.0068 12.0068 12.0071 12.0071 12.2248 12.2248 13.0912 13.0912 13.2723 13.2730 k = 0.0312 0.0051 0.0030 ( 3778 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0948 -19.0948 -18.5925 -18.5925 -18.4170 -18.4170 -16.9239 -16.9239 -16.4354 -16.4354 -16.2804 -16.2804 -9.8506 -9.8506 -8.7945 -8.7945 -1.4949 -1.4949 -0.6537 -0.6537 2.8879 2.8879 4.4909 4.4909 4.5050 4.5050 4.9404 4.9404 6.5701 6.5701 6.6000 6.6000 6.6219 6.6219 9.4559 9.4559 9.4583 9.4583 9.5571 9.5571 10.7781 10.7781 10.7884 10.7884 12.0061 12.0061 12.0065 12.0065 12.2138 12.2138 13.0931 13.0931 13.2724 13.2730 k = 0.0000 0.0000 0.0000 ( 3787 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0948 -19.0948 -18.5925 -18.5925 -18.4170 -18.4170 -16.9239 -16.9239 -16.4354 -16.4354 -16.2804 -16.2804 -9.8506 -9.8506 -8.7945 -8.7945 -1.4954 -1.4954 -0.6530 -0.6530 2.8860 2.8860 4.4909 4.4909 4.5050 4.5050 4.9453 4.9453 6.5701 6.5701 6.6000 6.6000 6.6165 6.6165 9.4558 9.4558 9.4582 9.4582 9.5613 9.5613 10.7784 10.7784 10.7887 10.7887 12.0059 12.0059 12.0062 12.0062 12.2101 12.2101 13.0938 13.0938 13.2723 13.2730 k = 0.0000 0.0000 0.0000 ( 3787 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0948 -19.0948 -18.5925 -18.5925 -18.4170 -18.4170 -16.9239 -16.9239 -16.4354 -16.4354 -16.2804 -16.2804 -9.8506 -9.8506 -8.7945 -8.7945 -1.4954 -1.4954 -0.6530 -0.6530 2.8860 2.8860 4.4909 4.4909 4.5050 4.5050 4.9453 4.9453 6.5701 6.5701 6.6000 6.6000 6.6165 6.6165 9.4558 9.4558 9.4582 9.4582 9.5613 9.5613 10.7784 10.7784 10.7887 10.7887 12.0059 12.0059 12.0062 12.0062 12.2101 12.2101 13.0938 13.0938 13.2726 13.2730 k = 0.0052-0.0156-0.0280 ( 3777 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0948 -19.0948 -18.5927 -18.5927 -18.4172 -18.4172 -16.9239 -16.9239 -16.4354 -16.4354 -16.2805 -16.2805 -9.8499 -9.8499 -8.7948 -8.7948 -1.4941 -1.4941 -0.6522 -0.6522 2.8869 2.8869 4.4882 4.4882 4.5032 4.5032 4.9509 4.9509 6.5552 6.5552 6.5887 6.5887 6.6405 6.6405 9.4424 9.4424 9.4569 9.4569 9.5715 9.5715 10.7723 10.7723 10.7838 10.7838 12.0059 12.0059 12.0072 12.0072 12.2114 12.2114 13.0940 13.0940 13.2729 13.2746 k = 0.0103-0.0312-0.0559 ( 3779 PWs) bands (ev): -40.1532 -40.1532 -37.9797 -37.9797 -19.0948 -19.0948 -18.5931 -18.5931 -18.4181 -18.4181 -16.9240 -16.9240 -16.4357 -16.4357 -16.2811 -16.2811 -9.8475 -9.8475 -8.7957 -8.7957 -1.4903 -1.4903 -0.6499 -0.6499 2.8897 2.8897 4.4766 4.4766 4.5020 4.5020 4.9670 4.9670 6.5220 6.5220 6.5832 6.5832 6.6727 6.6727 9.4085 9.4085 9.4563 9.4563 9.5927 9.5927 10.7503 10.7503 10.7734 10.7734 12.0057 12.0057 12.0106 12.0106 12.2155 12.2155 13.0946 13.0946 13.2737 13.2739 k = 0.0155-0.0467-0.0839 ( 3781 PWs) bands (ev): -40.1529 -40.1529 -37.9795 -37.9795 -19.0949 -19.0949 -18.5938 -18.5938 -18.4195 -18.4195 -16.9241 -16.9241 -16.4361 -16.4361 -16.2820 -16.2820 -9.8437 -9.8437 -8.7972 -8.7972 -1.4841 -1.4841 -0.6461 -0.6461 2.8943 2.8943 4.4557 4.4557 4.5034 4.5034 4.9917 4.9917 6.4836 6.4836 6.5781 6.5781 6.7053 6.7053 9.3649 9.3649 9.4553 9.4553 9.6150 9.6150 10.7118 10.7118 10.7587 10.7587 12.0052 12.0052 12.0161 12.0161 12.2221 12.2221 13.0957 13.0957 13.2749 13.2750 k = 0.0207-0.0623-0.1118 ( 3781 PWs) bands (ev): -40.1527 -40.1527 -37.9792 -37.9792 -19.0950 -19.0950 -18.5948 -18.5948 -18.4214 -18.4214 -16.9243 -16.9243 -16.4367 -16.4367 -16.2833 -16.2833 -9.8383 -9.8383 -8.7993 -8.7993 -1.4753 -1.4753 -0.6408 -0.6408 2.9006 2.9006 4.4288 4.4288 4.5066 4.5066 5.0229 5.0229 6.4425 6.4425 6.5718 6.5718 6.7376 6.7376 9.3152 9.3152 9.4539 9.4539 9.6352 9.6352 10.6588 10.6588 10.7389 10.7389 12.0045 12.0045 12.0236 12.0236 12.2313 12.2313 13.0970 13.0970 13.2766 13.2780 k = 0.0259-0.0779-0.1398 ( 3771 PWs) bands (ev): -40.1523 -40.1523 -37.9789 -37.9789 -19.0951 -19.0951 -18.5961 -18.5961 -18.4238 -18.4238 -16.9245 -16.9245 -16.4375 -16.4375 -16.2849 -16.2849 -9.8315 -9.8315 -8.8020 -8.8020 -1.4640 -1.4640 -0.6339 -0.6339 2.9088 2.9088 4.3981 4.3981 4.5109 4.5109 5.0587 5.0587 6.3991 6.3991 6.5638 6.5638 6.7697 6.7697 9.2607 9.2607 9.4519 9.4519 9.6521 9.6521 10.5929 10.5929 10.7141 10.7141 12.0037 12.0037 12.0329 12.0329 12.2429 12.2429 13.0985 13.0985 13.2787 13.2788 k = 0.0310-0.0935-0.1677 ( 3779 PWs) bands (ev): -40.1518 -40.1518 -37.9785 -37.9785 -19.0952 -19.0952 -18.5977 -18.5977 -18.4268 -18.4268 -16.9248 -16.9248 -16.4385 -16.4385 -16.2869 -16.2869 -9.8232 -9.8232 -8.8053 -8.8053 -1.4502 -1.4502 -0.6255 -0.6255 2.9187 2.9187 4.3649 4.3649 4.5163 4.5163 5.0977 5.0977 6.3535 6.3535 6.5543 6.5543 6.8019 6.8019 9.2020 9.2020 9.4492 9.4492 9.6653 9.6653 10.5157 10.5157 10.6843 10.6843 12.0028 12.0028 12.0435 12.0435 12.2567 12.2567 13.1003 13.1003 13.2810 13.2810 k = 0.0362-0.1091-0.1957 ( 3781 PWs) bands (ev): -40.1513 -40.1513 -37.9781 -37.9781 -19.0955 -19.0955 -18.5996 -18.5996 -18.4302 -18.4302 -16.9252 -16.9252 -16.4396 -16.4396 -16.2893 -16.2893 -9.8134 -9.8134 -8.8092 -8.8092 -1.4340 -1.4340 -0.6156 -0.6156 2.9304 2.9304 4.3305 4.3305 4.5226 4.5226 5.1389 5.1389 6.3057 6.3057 6.5430 6.5430 6.8344 6.8344 9.1397 9.1397 9.4457 9.4457 9.6745 9.6745 10.4286 10.4286 10.6500 10.6500 12.0018 12.0018 12.0552 12.0552 12.2726 12.2726 13.1023 13.1023 13.2833 13.2833 k = 0.0414-0.1247-0.2236 ( 3783 PWs) bands (ev): -40.1507 -40.1507 -37.9776 -37.9776 -19.0958 -19.0958 -18.6018 -18.6018 -18.4340 -18.4340 -16.9257 -16.9257 -16.4409 -16.4409 -16.2919 -16.2919 -9.8022 -9.8022 -8.8136 -8.8136 -1.4153 -1.4153 -0.6042 -0.6042 2.9438 2.9438 4.2956 4.2956 4.5298 4.5298 5.1814 5.1814 6.2559 6.2559 6.5301 6.5301 6.8672 6.8672 9.0740 9.0740 9.4412 9.4412 9.6796 9.6796 10.3331 10.3331 10.6116 10.6116 12.0007 12.0007 12.0678 12.0678 12.2905 12.2905 13.1044 13.1044 13.2853 13.2853 k = 0.0466-0.1402-0.2516 ( 3783 PWs) bands (ev): -40.1500 -40.1500 -37.9770 -37.9770 -19.0961 -19.0961 -18.6043 -18.6043 -18.4381 -18.4381 -16.9262 -16.9262 -16.4424 -16.4424 -16.2948 -16.2948 -9.7897 -9.7897 -8.8185 -8.8185 -1.3942 -1.3942 -0.5913 -0.5913 2.9588 2.9588 4.2606 4.2606 4.5379 4.5379 5.2246 5.2246 6.2040 6.2040 6.5156 6.5156 6.9007 6.9007 9.0052 9.0052 9.4353 9.4353 9.6806 9.6806 10.2308 10.2308 10.5695 10.5695 11.9997 11.9997 12.0808 12.0808 12.3102 12.3102 13.1067 13.1067 13.2866 13.2866 k = 0.0517-0.1558-0.2795 ( 3783 PWs) bands (ev): -40.1493 -40.1493 -37.9763 -37.9763 -19.0966 -19.0966 -18.6071 -18.6071 -18.4426 -18.4426 -16.9268 -16.9268 -16.4440 -16.4440 -16.2979 -16.2979 -9.7758 -9.7758 -8.8240 -8.8240 -1.3706 -1.3706 -0.5769 -0.5769 2.9754 2.9754 4.2261 4.2261 4.5468 4.5468 5.2680 5.2680 6.1502 6.1502 6.4995 6.4995 6.9350 6.9350 8.9338 8.9338 9.4276 9.4276 9.6773 9.6773 10.1230 10.1230 10.5245 10.5245 11.9989 11.9989 12.0941 12.0941 12.3315 12.3315 13.1092 13.1092 13.2868 13.2868 k = 0.0569-0.1714-0.3075 ( 3787 PWs) bands (ev): -40.1485 -40.1485 -37.9756 -37.9756 -19.0971 -19.0971 -18.6102 -18.6102 -18.4474 -18.4474 -16.9274 -16.9274 -16.4458 -16.4458 -16.3013 -16.3013 -9.7607 -9.7607 -8.8299 -8.8299 -1.3447 -1.3447 -0.5609 -0.5609 2.9935 2.9935 4.1921 4.1921 4.5564 4.5564 5.3112 5.3112 6.0948 6.0948 6.4818 6.4818 6.9701 6.9701 8.8598 8.8598 9.4175 9.4175 9.6696 9.6696 10.0112 10.0112 10.4772 10.4772 11.9983 11.9983 12.1074 12.1074 12.3541 12.3541 13.1118 13.1118 13.2852 13.2852 k = 0.0621-0.1870-0.3354 ( 3787 PWs) bands (ev): -40.1476 -40.1476 -37.9749 -37.9749 -19.0978 -19.0978 -18.6136 -18.6136 -18.4524 -18.4524 -16.9282 -16.9282 -16.4478 -16.4478 -16.3050 -16.3050 -9.7444 -9.7444 -8.8363 -8.8363 -1.3164 -1.3164 -0.5435 -0.5435 3.0132 3.0132 4.1591 4.1591 4.5667 4.5667 5.3538 5.3538 6.0378 6.0378 6.4625 6.4625 7.0062 7.0062 8.7838 8.7838 9.4039 9.4039 9.6572 9.6572 9.8974 9.8974 10.4283 10.4283 11.9980 11.9980 12.1205 12.1205 12.3778 12.3778 13.1145 13.1145 13.2815 13.2815 k = 0.0673-0.2026-0.3634 ( 3789 PWs) bands (ev): -40.1466 -40.1466 -37.9741 -37.9741 -19.0986 -19.0986 -18.6173 -18.6173 -18.4576 -18.4576 -16.9291 -16.9291 -16.4500 -16.4500 -16.3088 -16.3088 -9.7269 -9.7269 -8.8431 -8.8431 -1.2857 -1.2857 -0.5246 -0.5246 3.0342 3.0342 4.1271 4.1271 4.5775 4.5775 5.3956 5.3956 5.9795 5.9795 6.4418 6.4418 7.0435 7.0435 8.7059 8.7059 9.3849 9.3849 9.6401 9.6401 9.7839 9.7839 10.3786 10.3786 11.9981 11.9981 12.1331 12.1331 12.4023 12.4023 13.1174 13.1174 13.2752 13.2752 k = 0.0724-0.2182-0.3913 ( 3795 PWs) bands (ev): -40.1456 -40.1456 -37.9732 -37.9732 -19.0996 -19.0996 -18.6214 -18.6214 -18.4630 -18.4630 -16.9300 -16.9300 -16.4523 -16.4523 -16.3128 -16.3128 -9.7084 -9.7084 -8.8504 -8.8504 -1.2528 -1.2528 -0.5042 -0.5042 3.0566 3.0566 4.0962 4.0962 4.5889 4.5889 5.4363 5.4363 5.9202 5.9202 6.4195 6.4195 7.0819 7.0819 8.6263 8.6263 9.3567 9.3567 9.6180 9.6180 9.6754 9.6754 10.3289 10.3289 11.9988 11.9988 12.1451 12.1451 12.4274 12.4274 13.1205 13.1205 13.2658 13.2658 k = 0.0776-0.2337-0.4193 ( 3797 PWs) bands (ev): -40.1445 -40.1445 -37.9723 -37.9723 -19.1008 -19.1008 -18.6257 -18.6257 -18.4685 -18.4685 -16.9311 -16.9311 -16.4547 -16.4547 -16.3170 -16.3170 -9.6888 -9.6888 -8.8580 -8.8580 -1.2176 -1.2176 -0.4824 -0.4824 3.0802 3.0802 4.0667 4.0667 4.6006 4.6006 5.4757 5.4757 5.8602 5.8602 6.3959 6.3959 7.1214 7.1214 8.5455 8.5455 9.3118 9.3118 9.5788 9.5788 9.5914 9.5914 10.2798 10.2798 12.0001 12.0001 12.1563 12.1564 12.4528 12.4528 13.1237 13.1237 13.2532 13.2532 k = 0.0828-0.2493-0.4472 ( 3799 PWs) bands (ev): -40.1434 -40.1434 -37.9713 -37.9713 -19.1021 -19.1021 -18.6302 -18.6302 -18.4740 -18.4740 -16.9323 -16.9323 -16.4573 -16.4573 -16.3213 -16.3213 -9.6683 -9.6683 -8.8660 -8.8660 -1.1802 -1.1802 -0.4591 -0.4591 3.1050 3.1050 4.0384 4.0384 4.6127 4.6127 5.5135 5.5135 5.7996 5.7996 6.3709 6.3709 7.1622 7.1622 8.4635 8.4635 9.2414 9.2414 9.5052 9.5052 9.5586 9.5586 10.2321 10.2321 12.0021 12.0021 12.1666 12.1666 12.4783 12.4783 13.1271 13.1271 13.2372 13.2372 k = 0.0879-0.2649-0.4752 ( 3795 PWs) bands (ev): -40.1422 -40.1422 -37.9703 -37.9703 -19.1037 -19.1037 -18.6350 -18.6350 -18.4795 -18.4795 -16.9335 -16.9335 -16.4601 -16.4601 -16.3256 -16.3256 -9.6469 -9.6469 -8.8742 -8.8742 -1.1405 -1.1405 -0.4344 -0.4344 3.1309 3.1309 4.0116 4.0116 4.6249 4.6249 5.5494 5.5494 5.7389 5.7389 6.3447 6.3447 7.2042 7.2042 8.3807 8.3807 9.1451 9.1451 9.4537 9.4537 9.5210 9.5210 10.1861 10.1861 12.0049 12.0049 12.1758 12.1758 12.5038 12.5038 13.1307 13.1307 13.2179 13.2179 k = 0.0931-0.2805-0.5031 ( 3805 PWs) bands (ev): -40.1410 -40.1410 -37.9693 -37.9693 -19.1055 -19.1055 -18.6401 -18.6401 -18.4850 -18.4850 -16.9350 -16.9350 -16.4630 -16.4630 -16.3301 -16.3301 -9.6247 -9.6247 -8.8828 -8.8828 -1.0987 -1.0987 -0.4083 -0.4083 3.1577 3.1577 3.9862 3.9862 4.6371 4.6371 5.5832 5.5832 5.6786 5.6786 6.3171 6.3171 7.2473 7.2473 8.2972 8.2972 9.0320 9.0320 9.4160 9.4160 9.4785 9.4785 10.1422 10.1422 12.0086 12.0086 12.1838 12.1838 12.5291 12.5291 13.1346 13.1346 13.1956 13.1956 k = 0.0983-0.2961-0.5311 ( 3813 PWs) bands (ev): -40.1397 -40.1397 -37.9682 -37.9682 -19.1076 -19.1076 -18.6453 -18.6453 -18.4905 -18.4905 -16.9365 -16.9365 -16.4660 -16.4660 -16.3347 -16.3347 -9.6018 -9.6018 -8.8916 -8.8916 -1.0549 -1.0549 -0.3807 -0.3807 3.1854 3.1854 3.9622 3.9622 4.6492 4.6492 5.6091 5.6091 5.6243 5.6243 6.2884 6.2884 7.2915 7.2915 8.2133 8.2133 8.9103 8.9103 9.3841 9.3841 9.4314 9.4314 10.1005 10.1005 12.0132 12.0132 12.1904 12.1904 12.5542 12.5542 13.1388 13.1388 13.1705 13.1705 k = 0.1035-0.3116-0.5590 ( 3807 PWs) bands (ev): -40.1384 -40.1384 -37.9670 -37.9670 -19.1099 -19.1099 -18.6506 -18.6506 -18.4959 -18.4959 -16.9381 -16.9381 -16.4690 -16.4690 -16.3392 -16.3392 -9.5783 -9.5783 -8.9006 -8.9006 -1.0089 -1.0089 -0.3518 -0.3518 3.2138 3.2138 3.9397 3.9397 4.6610 4.6610 5.5578 5.5578 5.6459 5.6459 6.2585 6.2585 7.3367 7.3367 8.1293 8.1293 8.7843 8.7843 9.3538 9.3538 9.3802 9.3802 10.0609 10.0609 12.0188 12.0188 12.1955 12.1955 12.5791 12.5791 13.1399 13.1399 13.1468 13.1468 k = 0.1086-0.3272-0.5870 ( 3809 PWs) bands (ev): -40.1370 -40.1370 -37.9659 -37.9659 -19.1124 -19.1124 -18.6560 -18.6560 -18.5013 -18.5013 -16.9399 -16.9399 -16.4722 -16.4722 -16.3438 -16.3438 -9.5542 -9.5542 -8.9097 -8.9097 -0.9610 -0.9610 -0.3215 -0.3215 3.2428 3.2428 3.9187 3.9187 4.6721 4.6721 5.5000 5.5000 5.6727 5.6727 6.2276 6.2276 7.3828 7.3828 8.0453 8.0453 8.6564 8.6564 9.3222 9.3222 9.3263 9.3263 10.0233 10.0233 12.0254 12.0254 12.1991 12.1991 12.6036 12.6036 13.1132 13.1132 13.1498 13.1498 k = 0.1138-0.3428-0.6149 ( 3817 PWs) bands (ev): -40.1356 -40.1356 -37.9647 -37.9647 -19.1153 -19.1153 -18.6615 -18.6615 -18.5066 -18.5066 -16.9419 -16.9419 -16.4755 -16.4755 -16.3485 -16.3485 -9.5296 -9.5296 -8.9190 -8.9190 -0.9111 -0.9111 -0.2899 -0.2899 3.2723 3.2723 3.8991 3.8991 4.6824 4.6824 5.4436 5.4436 5.6970 5.6970 6.1957 6.1957 7.4296 7.4296 7.9616 7.9616 8.5281 8.5281 9.2672 9.2672 9.2913 9.2913 9.9873 9.9873 12.0330 12.0330 12.2011 12.2011 12.6277 12.6277 13.0830 13.0830 13.1559 13.1559 k = 0.1190-0.3584-0.6429 ( 3819 PWs) bands (ev): -40.1342 -40.1342 -37.9635 -37.9635 -19.1185 -19.1185 -18.6670 -18.6670 -18.5119 -18.5119 -16.9439 -16.9439 -16.4788 -16.4788 -16.3531 -16.3531 -9.5047 -9.5047 -8.9283 -8.9283 -0.8593 -0.8593 -0.2570 -0.2570 3.3021 3.3021 3.8810 3.8810 4.6916 4.6916 5.3892 5.3892 5.7188 5.7188 6.1628 6.1628 7.4769 7.4769 7.8782 7.8782 8.4002 8.4002 9.2072 9.2072 9.2569 9.2569 9.9526 9.9526 12.0417 12.0417 12.2015 12.2015 12.6514 12.6514 13.0522 13.0522 13.1629 13.1629 k = 0.1242-0.3740-0.6708 ( 3825 PWs) bands (ev): -40.1327 -40.1327 -37.9623 -37.9623 -19.1219 -19.1219 -18.6725 -18.6725 -18.5170 -18.5170 -16.9461 -16.9461 -16.4821 -16.4821 -16.3577 -16.3577 -9.4794 -9.4794 -8.9377 -8.9377 -0.8057 -0.8057 -0.2228 -0.2228 3.3321 3.3321 3.8643 3.8643 4.6993 4.6993 5.3374 5.3374 5.7377 5.7377 6.1291 6.1291 7.5239 7.5239 7.7955 7.7955 8.2739 8.2739 9.1454 9.1454 9.2199 9.2199 9.9190 9.9190 12.0513 12.0513 12.2003 12.2003 12.6747 12.6747 13.0215 13.0215 13.1711 13.1711 k = 0.1293-0.3896-0.6988 ( 3827 PWs) bands (ev): -40.1313 -40.1313 -37.9610 -37.9610 -19.1256 -19.1256 -18.6779 -18.6779 -18.5221 -18.5221 -16.9484 -16.9484 -16.4855 -16.4855 -16.3623 -16.3623 -9.4540 -9.4540 -8.9471 -8.9471 -0.7503 -0.7503 -0.1873 -0.1873 3.3621 3.3621 3.8490 3.8490 4.7052 4.7052 5.2887 5.2887 5.7538 5.7538 6.0946 6.0946 7.5698 7.5698 7.7137 7.7137 8.1504 8.1504 9.0824 9.0824 9.1802 9.1802 9.8862 9.8862 12.0620 12.0620 12.1976 12.1976 12.6975 12.6975 12.9915 12.9915 13.1804 13.1804 k = 0.1345-0.4051-0.7267 ( 3827 PWs) bands (ev): -40.1298 -40.1298 -37.9598 -37.9598 -19.1296 -19.1296 -18.6832 -18.6832 -18.5271 -18.5271 -16.9508 -16.9508 -16.4889 -16.4889 -16.3668 -16.3668 -9.4284 -9.4284 -8.9564 -8.9564 -0.6933 -0.6933 -0.1507 -0.1507 3.3919 3.3919 3.8350 3.8350 4.7088 4.7088 5.2436 5.2436 5.7670 5.7670 6.0594 6.0594 7.6115 7.6115 7.6333 7.6333 8.0325 8.0325 9.0186 9.0186 9.1375 9.1375 9.8538 9.8538 12.0735 12.0735 12.1934 12.1934 12.7197 12.7197 12.9627 12.9627 13.1911 13.1911 k = 0.1397-0.4207-0.7547 ( 3829 PWs) bands (ev): -40.1283 -40.1283 -37.9585 -37.9585 -19.1339 -19.1339 -18.6883 -18.6883 -18.5320 -18.5320 -16.9533 -16.9533 -16.4922 -16.4922 -16.3713 -16.3713 -9.4027 -9.4027 -8.9657 -8.9657 -0.6346 -0.6346 -0.1129 -0.1129 3.4213 3.4213 3.8224 3.8224 4.7097 4.7097 5.2028 5.2028 5.7773 5.7773 6.0234 6.0234 7.5527 7.5527 7.6435 7.6435 7.9277 7.9277 8.9546 8.9546 9.0919 9.0919 9.8219 9.8219 12.0859 12.0859 12.1878 12.1878 12.7412 12.7412 12.9356 12.9356 13.2033 13.2033 k = 0.1449-0.4363-0.7826 ( 3829 PWs) bands (ev): -40.1268 -40.1268 -37.9572 -37.9572 -19.1384 -19.1384 -18.6934 -18.6934 -18.5368 -18.5368 -16.9559 -16.9559 -16.4955 -16.4955 -16.3758 -16.3758 -9.3771 -9.3771 -8.9748 -8.9748 -0.5744 -0.5744 -0.0740 -0.0740 3.4501 3.4501 3.8109 3.8109 4.7074 4.7074 5.1668 5.1668 5.7847 5.7847 5.9869 5.9869 7.4744 7.4744 7.6398 7.6398 7.8601 7.8601 8.8905 8.8905 9.0433 9.0433 9.7902 9.7902 12.0990 12.0990 12.1809 12.1809 12.7620 12.7620 12.9107 12.9107 13.2169 13.2169 k = 0.1500-0.4519-0.8106 ( 3833 PWs) bands (ev): -40.1253 -40.1253 -37.9559 -37.9559 -19.1431 -19.1431 -18.6982 -18.6982 -18.5416 -18.5416 -16.9586 -16.9586 -16.4988 -16.4988 -16.3803 -16.3803 -9.3516 -9.3516 -8.9838 -8.9838 -0.5128 -0.5128 -0.0340 -0.0340 3.4782 3.4782 3.8007 3.8007 4.7017 4.7017 5.1359 5.1359 5.7893 5.7893 5.9498 5.9498 7.3975 7.3975 7.5757 7.5757 7.8551 7.8551 8.8268 8.8268 8.9918 8.9918 9.7586 9.7586 12.1127 12.1127 12.1731 12.1731 12.7818 12.7818 12.8884 12.8884 13.2322 13.2322 k = 0.1552-0.4675-0.8385 ( 3835 PWs) bands (ev): -40.1238 -40.1238 -37.9546 -37.9546 -19.1480 -19.1480 -18.7028 -18.7028 -18.5464 -18.5464 -16.9614 -16.9614 -16.5020 -16.5020 -16.3847 -16.3847 -9.3263 -9.3263 -8.9926 -8.9926 -0.4498 -0.4498 0.0070 0.0070 3.5053 3.5053 3.7916 3.7916 4.6926 4.6926 5.1102 5.1102 5.7911 5.7911 5.9123 5.9123 7.3223 7.3223 7.4777 7.4777 7.8863 7.8863 8.7635 8.7635 8.9376 8.9376 9.7271 9.7271 12.1266 12.1266 12.1645 12.1645 12.8005 12.8005 12.8689 12.8689 13.2490 13.2490 k = 0.1604-0.4831-0.8665 ( 3835 PWs) bands (ev): -40.1223 -40.1223 -37.9534 -37.9534 -19.1531 -19.1531 -18.7072 -18.7072 -18.5510 -18.5510 -16.9643 -16.9643 -16.5052 -16.5052 -16.3891 -16.3891 -9.3013 -9.3013 -9.0011 -9.0011 -0.3855 -0.3855 0.0489 0.0489 3.5312 3.5312 3.7835 3.7835 4.6804 4.6804 5.0895 5.0895 5.7903 5.7903 5.8744 5.8744 7.2488 7.2488 7.3704 7.3704 7.9291 7.9291 8.7009 8.7009 8.8810 8.8810 9.6958 9.6958 12.1393 12.1393 12.1569 12.1569 12.8181 12.8181 12.8527 12.8527 13.2674 13.2674 k = 0.1655-0.4986-0.8944 ( 3835 PWs) bands (ev): -40.1208 -40.1208 -37.9521 -37.9521 -19.1583 -19.1583 -18.7114 -18.7114 -18.5557 -18.5557 -16.9672 -16.9672 -16.5082 -16.5082 -16.3934 -16.3934 -9.2767 -9.2767 -9.0093 -9.0093 -0.3201 -0.3201 0.0917 0.0917 3.5557 3.5557 3.7763 3.7763 4.6657 4.6657 5.0733 5.0733 5.7866 5.7866 5.8364 5.8364 7.1772 7.1772 7.2615 7.2615 7.9755 7.9755 8.6390 8.6390 8.8223 8.8223 9.6645 9.6645 12.1399 12.1399 12.1612 12.1612 12.8335 12.8335 12.8407 12.8407 13.2873 13.2873 k = 0.1707-0.5142-0.9224 ( 3841 PWs) bands (ev): -40.1193 -40.1193 -37.9508 -37.9508 -19.1636 -19.1636 -18.7155 -18.7155 -18.5602 -18.5602 -16.9702 -16.9702 -16.5111 -16.5111 -16.3977 -16.3977 -9.2525 -9.2525 -9.0172 -9.0172 -0.2537 -0.2537 0.1354 0.1354 3.5787 3.5787 3.7700 3.7700 4.6492 4.6492 5.0608 5.0608 5.7782 5.7782 5.8006 5.8006 7.1077 7.1077 7.1538 7.1538 8.0226 8.0226 8.5779 8.5779 8.7621 8.7621 9.6334 9.6334 12.1303 12.1303 12.1752 12.1752 12.8298 12.8298 12.8501 12.8501 13.3086 13.3086 k = 0.1759-0.5298-0.9503 ( 3839 PWs) bands (ev): -40.1178 -40.1178 -37.9496 -37.9496 -19.1689 -19.1689 -18.7193 -18.7193 -18.5648 -18.5648 -16.9732 -16.9732 -16.5139 -16.5139 -16.4019 -16.4019 -9.2289 -9.2289 -9.0247 -9.0247 -0.1864 -0.1864 0.1797 0.1797 3.5999 3.5999 3.7645 3.7645 4.6318 4.6318 5.0512 5.0512 5.7520 5.7520 5.7804 5.7804 7.0402 7.0402 7.0486 7.0486 8.0684 8.0684 8.5178 8.5178 8.7013 8.7013 9.6025 9.6025 12.1194 12.1194 12.1905 12.1905 12.8242 12.8242 12.8635 12.8635 13.3312 13.3312 k = 0.1811-0.5454-0.9783 ( 3847 PWs) bands (ev): -40.1164 -40.1164 -37.9483 -37.9483 -19.1743 -19.1743 -18.7230 -18.7230 -18.5693 -18.5693 -16.9762 -16.9762 -16.5167 -16.5167 -16.4062 -16.4062 -9.2059 -9.2059 -9.0319 -9.0319 -0.1184 -0.1184 0.2247 0.2247 3.6192 3.6192 3.7597 3.7597 4.6144 4.6144 5.0435 5.0435 5.7139 5.7139 5.7699 5.7699 6.9458 6.9458 6.9754 6.9754 8.1111 8.1111 8.4586 8.4586 8.6416 8.6416 9.5719 9.5719 12.1079 12.1079 12.2061 12.2061 12.8222 12.8222 12.8755 12.8755 13.3548 13.3548 k = 0.1862-0.5610-1.0062 ( 3853 PWs) bands (ev): -40.1150 -40.1150 -37.9471 -37.9471 -19.1796 -19.1796 -18.7265 -18.7265 -18.5737 -18.5737 -16.9792 -16.9792 -16.5192 -16.5192 -16.4103 -16.4103 -9.1835 -9.1835 -9.0386 -9.0386 -0.0497 -0.0497 0.2703 0.2703 3.6366 3.6366 3.7555 3.7555 4.5976 4.5976 5.0371 5.0371 5.6739 5.6739 5.7597 5.7597 6.8468 6.8468 6.9125 6.9125 8.1477 8.1477 8.4003 8.4003 8.5855 8.5855 9.5418 9.5418 12.0964 12.0964 12.2219 12.2219 12.8239 12.8239 12.8859 12.8859 13.3792 13.3792 k = 0.1914-0.5766-1.0342 ( 3847 PWs) bands (ev): -40.1136 -40.1136 -37.9459 -37.9459 -19.1848 -19.1848 -18.7298 -18.7298 -18.5780 -18.5780 -16.9821 -16.9821 -16.5217 -16.5217 -16.4145 -16.4145 -9.1619 -9.1619 -9.0448 -9.0448 0.0195 0.0195 0.3163 0.3163 3.6520 3.6520 3.7518 3.7518 4.5819 4.5819 5.0312 5.0312 5.6333 5.6333 5.7488 5.7488 6.7518 6.7518 6.8521 6.8521 8.1731 8.1731 8.3430 8.3430 8.5383 8.5383 9.5121 9.5121 12.0851 12.0851 12.2376 12.2376 12.8291 12.8291 12.8947 12.8947 13.4042 13.4042 k = 0.1966-0.5921-1.0621 ( 3847 PWs) bands (ev): -40.1122 -40.1122 -37.9448 -37.9448 -19.1899 -19.1899 -18.7330 -18.7330 -18.5823 -18.5823 -16.9850 -16.9850 -16.5240 -16.5240 -16.4185 -16.4185 -9.1412 -9.1412 -9.0505 -9.0505 0.0890 0.0890 0.3627 0.3627 3.6654 3.6654 3.7487 3.7487 4.5675 4.5675 5.0254 5.0254 5.5921 5.5921 5.7374 5.7374 6.6610 6.6610 6.7940 6.7940 8.1793 8.1793 8.2865 8.2865 8.5078 8.5078 9.4832 9.4832 12.0740 12.0740 12.2533 12.2533 12.8379 12.8379 12.9018 12.9018 13.4295 13.4295 k = 0.2018-0.6077-1.0901 ( 3847 PWs) bands (ev): -40.1109 -40.1109 -37.9437 -37.9437 -19.1949 -19.1949 -18.7361 -18.7361 -18.5865 -18.5865 -16.9879 -16.9879 -16.5261 -16.5261 -16.4226 -16.4226 -9.1213 -9.1213 -9.0557 -9.0557 0.1586 0.1586 0.4094 0.4094 3.6769 3.6769 3.7458 3.7458 4.5547 4.5547 5.0191 5.0191 5.5505 5.5505 5.7259 5.7259 6.5747 6.5747 6.7384 6.7384 8.1598 8.1598 8.2310 8.2310 8.5005 8.5005 9.4549 9.4549 12.0634 12.0634 12.2689 12.2689 12.8499 12.8499 12.9072 12.9072 13.4548 13.4548 k = 0.2069-0.6233-1.1180 ( 3857 PWs) bands (ev): -40.1096 -40.1096 -37.9426 -37.9426 -19.1997 -19.1997 -18.7391 -18.7391 -18.5906 -18.5906 -16.9907 -16.9907 -16.5282 -16.5282 -16.4266 -16.4266 -9.1026 -9.1026 -9.0601 -9.0601 0.2280 0.2280 0.4561 0.4561 3.6868 3.6868 3.7433 3.7433 4.5433 4.5433 5.0121 5.0121 5.5085 5.5085 5.7146 5.7146 6.4934 6.4934 6.6852 6.6852 8.1165 8.1165 8.1762 8.1762 8.5145 8.5145 9.4276 9.4276 12.0534 12.0534 12.2845 12.2845 12.8650 12.8650 12.9109 12.9109 13.4798 13.4798 k = 0.2121-0.6389-1.1460 ( 3857 PWs) bands (ev): -40.1083 -40.1083 -37.9415 -37.9415 -19.2042 -19.2042 -18.7421 -18.7421 -18.5946 -18.5946 -16.9934 -16.9934 -16.5300 -16.5300 -16.4306 -16.4306 -9.0856 -9.0856 -9.0633 -9.0633 0.2972 0.2972 0.5029 0.5029 3.6951 3.6951 3.7410 3.7410 4.5333 4.5333 5.0041 5.0041 5.4662 5.4662 5.7038 5.7038 6.4173 6.4173 6.6345 6.6345 8.0573 8.0573 8.1224 8.1224 8.5421 8.5421 9.4013 9.4013 12.0442 12.0442 12.3001 12.3001 12.8830 12.8830 12.9131 12.9131 13.5042 13.5042 k = 0.2173-0.6545-1.1739 ( 3853 PWs) bands (ev): -40.1071 -40.1071 -37.9405 -37.9405 -19.2085 -19.2085 -18.7450 -18.7450 -18.5986 -18.5986 -16.9959 -16.9959 -16.5318 -16.5318 -16.4345 -16.4345 -9.0744 -9.0744 -9.0611 -9.0611 0.3659 0.3659 0.5495 0.5495 3.7023 3.7023 3.7389 3.7389 4.5244 4.5244 4.9950 4.9950 5.4238 5.4238 5.6938 5.6938 6.3467 6.3467 6.5862 6.5862 7.9888 7.9888 8.0693 8.0693 8.5765 8.5765 9.3760 9.3760 12.0358 12.0358 12.3157 12.3157 12.9030 12.9030 12.9142 12.9142 13.5276 13.5276 k = 0.2225-0.6700-1.2019 ( 3851 PWs) bands (ev): -40.1060 -40.1060 -37.9395 -37.9395 -19.2126 -19.2126 -18.7479 -18.7479 -18.6024 -18.6024 -16.9984 -16.9984 -16.5334 -16.5334 -16.4383 -16.4383 -9.0739 -9.0739 -9.0486 -9.0486 0.4338 0.4338 0.5959 0.5959 3.7085 3.7085 3.7370 3.7370 4.5164 4.5164 4.9845 4.9845 5.3812 5.3812 5.6849 5.6849 6.2818 6.2818 6.5402 6.5402 7.9148 7.9148 8.0171 8.0171 8.6140 8.6140 9.3520 9.3520 12.0284 12.0284 12.3313 12.3313 12.9112 12.9112 12.9280 12.9280 13.5500 13.5500 k = 0.2276-0.6856-1.2299 ( 3849 PWs) bands (ev): -40.1049 -40.1049 -37.9385 -37.9385 -19.2163 -19.2163 -18.7507 -18.7507 -18.6061 -18.6061 -17.0007 -17.0007 -16.5348 -16.5348 -16.4421 -16.4421 -9.0756 -9.0756 -9.0345 -9.0345 0.5007 0.5007 0.6417 0.6417 3.7140 3.7140 3.7353 3.7353 4.5090 4.5090 4.9726 4.9726 5.3385 5.3385 5.6774 5.6774 6.2230 6.2230 6.4966 6.4966 7.8376 7.8376 7.9657 7.9657 8.6525 8.6525 9.3293 9.3293 12.0221 12.0221 12.3471 12.3471 12.9090 12.9090 12.9528 12.9528 13.5712 13.5712 k = 0.2328-0.7012-1.2578 ( 3845 PWs) bands (ev): -40.1038 -40.1038 -37.9376 -37.9376 -19.2197 -19.2197 -18.7536 -18.7536 -18.6096 -18.6096 -17.0029 -17.0029 -16.5361 -16.5361 -16.4458 -16.4458 -9.0771 -9.0771 -9.0210 -9.0210 0.5663 0.5663 0.6870 0.6870 3.7192 3.7192 3.7339 3.7339 4.5020 4.5020 4.9592 4.9592 5.2960 5.2960 5.6714 5.6714 6.1703 6.1703 6.4553 6.4553 7.7582 7.7582 7.9151 7.9151 8.6908 8.6908 9.3079 9.3079 12.0169 12.0169 12.3629 12.3629 12.9050 12.9050 12.9799 12.9799 13.5911 13.5911 k = 0.2380-0.7168-1.2858 ( 3847 PWs) bands (ev): -40.1028 -40.1028 -37.9368 -37.9368 -19.2228 -19.2228 -18.7564 -18.7564 -18.6130 -18.6130 -17.0049 -17.0049 -16.5373 -16.5373 -16.4495 -16.4495 -9.0781 -9.0781 -9.0086 -9.0086 0.6304 0.6304 0.7316 0.7316 3.7238 3.7238 3.7330 3.7330 4.4951 4.4951 4.9443 4.9443 5.2537 5.2537 5.6672 5.6672 6.1240 6.1240 6.4163 6.4163 7.6775 7.6775 7.8653 7.8653 8.7282 8.7282 9.2879 9.2879 12.0129 12.0129 12.3789 12.3789 12.8998 12.8998 13.0088 13.0088 13.6097 13.6097 k = 0.2431-0.7324-1.3137 ( 3847 PWs) bands (ev): -40.1018 -40.1018 -37.9359 -37.9359 -19.2255 -19.2255 -18.7593 -18.7593 -18.6163 -18.6163 -17.0068 -17.0068 -16.5383 -16.5383 -16.4532 -16.4532 -9.0786 -9.0786 -8.9974 -8.9974 0.6925 0.6925 0.7752 0.7752 3.7269 3.7269 3.7342 3.7342 4.4883 4.4883 4.9278 4.9278 5.2116 5.2116 5.6649 5.6649 6.0840 6.0840 6.3796 6.3796 7.5959 7.5959 7.8165 7.8165 8.7641 8.7641 9.2695 9.2695 12.0102 12.0102 12.3951 12.3951 12.8932 12.8932 13.0392 13.0392 13.6271 13.6271 k = 0.2483-0.7480-1.3417 ( 3853 PWs) bands (ev): -40.1009 -40.1009 -37.9352 -37.9352 -19.2279 -19.2279 -18.7622 -18.7622 -18.6195 -18.6195 -17.0085 -17.0085 -16.5392 -16.5392 -16.4567 -16.4567 -9.0785 -9.0785 -8.9873 -8.9873 0.7524 0.7524 0.8177 0.8177 3.7274 3.7274 3.7386 3.7386 4.4816 4.4816 4.9098 4.9098 5.1701 5.1701 5.6646 5.6646 6.0505 6.0505 6.3450 6.3450 7.5140 7.5140 7.7686 7.7686 8.7983 8.7983 9.2525 9.2525 12.0086 12.0086 12.4113 12.4113 12.8857 12.8857 13.0709 13.0709 13.6435 13.6435 k = 0.2535-0.7635-1.3696 ( 3859 PWs) bands (ev): -40.1001 -40.1001 -37.9344 -37.9344 -19.2300 -19.2300 -18.7650 -18.7650 -18.6225 -18.6225 -17.0101 -17.0101 -16.5400 -16.5400 -16.4602 -16.4602 -9.0778 -9.0778 -8.9784 -8.9784 0.8099 0.8099 0.8589 0.8589 3.7271 3.7271 3.7448 3.7448 4.4751 4.4751 4.8903 4.8903 5.1290 5.1290 5.6663 5.6663 6.0233 6.0233 6.3126 6.3126 7.4320 7.4320 7.7218 7.7218 8.8304 8.8304 9.2371 9.2371 12.0082 12.0082 12.4277 12.4277 12.8771 12.8771 13.1038 13.1038 13.6592 13.6592 k = 0.2587-0.7791-1.3976 ( 3857 PWs) bands (ev): -40.0993 -40.0993 -37.9338 -37.9338 -19.2318 -19.2318 -18.7679 -18.7679 -18.6253 -18.6253 -17.0115 -17.0115 -16.5406 -16.5406 -16.4636 -16.4636 -9.0764 -9.0764 -8.9708 -8.9708 0.8645 0.8645 0.8987 0.8987 3.7269 3.7269 3.7520 3.7520 4.4691 4.4691 4.8693 4.8693 5.0887 5.0887 5.6700 5.6700 6.0023 6.0023 6.2824 6.2824 7.3502 7.3502 7.6761 7.6761 8.8602 8.8602 9.2233 9.2233 12.0090 12.0090 12.4442 12.4442 12.8676 12.8676 13.1377 13.1377 13.6743 13.6743 k = 0.2638-0.7947-1.4255 ( 3855 PWs) bands (ev): -40.0985 -40.0985 -37.9331 -37.9331 -19.2332 -19.2332 -18.7707 -18.7707 -18.6279 -18.6279 -17.0128 -17.0128 -16.5411 -16.5411 -16.4669 -16.4669 -9.0744 -9.0744 -8.9645 -8.9645 0.9159 0.9159 0.9369 0.9369 3.7270 3.7270 3.7600 3.7600 4.4637 4.4637 4.8471 4.8471 5.0492 5.0492 5.6757 5.6757 5.9873 5.9873 6.2543 6.2543 7.2688 7.2688 7.6317 7.6317 8.8877 8.8877 9.2110 9.2110 12.0108 12.0108 12.4607 12.4607 12.8574 12.8574 13.1726 13.1726 13.6892 13.6892 k = 0.2690-0.8103-1.4535 ( 3859 PWs) bands (ev): -40.0979 -40.0979 -37.9326 -37.9326 -19.2343 -19.2343 -18.7735 -18.7735 -18.6304 -18.6304 -17.0139 -17.0139 -16.5414 -16.5414 -16.4701 -16.4701 -9.0718 -9.0718 -8.9594 -8.9594 0.9638 0.9638 0.9733 0.9733 3.7277 3.7277 3.7688 3.7688 4.4594 4.4594 4.8237 4.8237 5.0105 5.0105 5.6834 5.6834 5.9782 5.9782 6.2283 6.2283 7.1880 7.1880 7.5887 7.5887 8.9127 8.9127 9.2002 9.2002 12.0135 12.0135 12.4773 12.4773 12.8466 12.8466 13.2084 13.2084 13.7040 13.7040 k = 0.2742-0.8259-1.4814 ( 3855 PWs) bands (ev): -40.0972 -40.0972 -37.9320 -37.9320 -19.2351 -19.2351 -18.7762 -18.7762 -18.6327 -18.6327 -17.0148 -17.0148 -16.5416 -16.5416 -16.4732 -16.4732 -9.0686 -9.0686 -8.9555 -8.9555 1.0064 1.0064 1.0094 1.0094 3.7291 3.7291 3.7783 3.7783 4.4564 4.4564 4.7993 4.7993 4.9729 4.9729 5.6929 5.6929 5.9746 5.9746 6.2045 6.2045 7.1081 7.1081 7.5474 7.5474 8.9351 8.9351 9.1909 9.1909 12.0171 12.0171 12.4938 12.4938 12.8351 12.8351 13.2449 13.2449 13.7190 13.7190 k = 0.2794-0.8415-1.5094 ( 3843 PWs) bands (ev): -40.0967 -40.0967 -37.9316 -37.9316 -19.2356 -19.2356 -18.7788 -18.7788 -18.6349 -18.6349 -17.0156 -17.0156 -16.5417 -16.5417 -16.4762 -16.4762 -9.0647 -9.0647 -8.9529 -8.9529 1.0395 1.0395 1.0490 1.0490 3.7313 3.7313 3.7882 3.7882 4.4554 4.4554 4.7742 4.7742 4.9364 4.9364 5.7039 5.7039 5.9763 5.9763 6.1828 6.1828 7.0293 7.0293 7.5077 7.5077 8.9549 8.9549 9.1832 9.1832 12.0214 12.0214 12.5103 12.5103 12.8231 12.8231 13.2821 13.2821 13.7342 13.7342 k = 0.2845-0.8570-1.5373 ( 3839 PWs) bands (ev): -40.0962 -40.0962 -37.9311 -37.9311 -19.2359 -19.2359 -18.7813 -18.7813 -18.6368 -18.6368 -17.0162 -17.0162 -16.5416 -16.5416 -16.4791 -16.4791 -9.0604 -9.0604 -8.9515 -8.9515 1.0696 1.0696 1.0850 1.0850 3.7343 3.7343 3.7982 3.7982 4.4564 4.4564 4.7487 4.7487 4.9010 4.9010 5.7163 5.7163 5.9829 5.9829 6.1633 6.1633 6.9517 6.9517 7.4701 7.4701 8.9720 8.9720 9.1768 9.1768 12.0262 12.0262 12.5268 12.5268 12.8107 12.8107 13.3201 13.3201 13.7495 13.7495 k = 0.2897-0.8726-1.5653 ( 3837 PWs) bands (ev): -40.0957 -40.0957 -37.9307 -37.9307 -19.2360 -19.2360 -18.7837 -18.7837 -18.6386 -18.6386 -17.0167 -17.0167 -16.5415 -16.5415 -16.4818 -16.4818 -9.0554 -9.0554 -8.9513 -8.9513 1.0973 1.0973 1.1168 1.1168 3.7384 3.7384 3.8080 3.8080 4.4600 4.4600 4.7232 4.7232 4.8668 4.8668 5.7296 5.7296 5.9941 5.9941 6.1461 6.1461 6.8758 6.8758 7.4346 7.4346 8.9864 8.9864 9.1719 9.1719 12.0313 12.0313 12.5431 12.5431 12.7978 12.7978 13.3587 13.3587 13.7649 13.7649 k = 0.2949-0.8882-1.5932 ( 3837 PWs) bands (ev): -40.0953 -40.0953 -37.9304 -37.9304 -19.2360 -19.2360 -18.7859 -18.7859 -18.6403 -18.6403 -17.0172 -17.0172 -16.5412 -16.5412 -16.4843 -16.4843 -9.0499 -9.0499 -8.9522 -8.9522 1.1225 1.1225 1.1442 1.1442 3.7434 3.7434 3.8173 3.8173 4.4662 4.4662 4.6981 4.6981 4.8340 4.8340 5.7435 5.7435 6.0095 6.0095 6.1312 6.1312 6.8018 6.8018 7.4015 7.4015 8.9982 8.9982 9.1682 9.1682 12.0366 12.0366 12.5593 12.5593 12.7846 12.7846 13.3979 13.3979 13.7800 13.7800 k = 0.3000-0.9038-1.6212 ( 3837 PWs) bands (ev): -40.0950 -40.0950 -37.9301 -37.9301 -19.2358 -19.2358 -18.7879 -18.7879 -18.6417 -18.6417 -17.0175 -17.0175 -16.5409 -16.5409 -16.4867 -16.4867 -9.0439 -9.0439 -8.9543 -8.9543 1.1452 1.1452 1.1670 1.1670 3.7496 3.7496 3.8254 3.8254 4.4754 4.4754 4.6740 4.6740 4.8025 4.8025 5.7576 5.7576 6.0285 6.0285 6.1190 6.1190 6.7303 6.7303 7.3712 7.3712 9.0074 9.0074 9.1659 9.1659 12.0420 12.0420 12.5753 12.5753 12.7711 12.7711 13.4377 13.4377 13.7942 13.7942 k = 0.3052-0.9194-1.6491 ( 3835 PWs) bands (ev): -40.0947 -40.0947 -37.9299 -37.9299 -19.2355 -19.2355 -18.7896 -18.7896 -18.6430 -18.6430 -17.0177 -17.0177 -16.5404 -16.5404 -16.4888 -16.4888 -9.0375 -9.0375 -8.9575 -8.9575 1.1653 1.1653 1.1854 1.1854 3.7569 3.7569 3.8317 3.8317 4.4876 4.4876 4.6515 4.6515 4.7725 4.7725 5.7711 5.7711 6.0504 6.0504 6.1096 6.1096 6.6622 6.6622 7.3439 7.3439 9.0140 9.0140 9.1647 9.1647 12.0472 12.0472 12.5912 12.5912 12.7572 12.7572 13.4782 13.4782 13.8066 13.8066 k = 0.3104-0.9349-1.6771 ( 3837 PWs) bands (ev): -40.0945 -40.0945 -37.9297 -37.9297 -19.2352 -19.2352 -18.7911 -18.7911 -18.6440 -18.6440 -17.0179 -17.0179 -16.5400 -16.5400 -16.4907 -16.4907 -9.0306 -9.0306 -8.9617 -8.9617 1.1828 1.1828 1.1993 1.1993 3.7654 3.7654 3.8358 3.8358 4.5028 4.5028 4.6310 4.6310 4.7439 4.7439 5.7833 5.7833 6.0738 6.0738 6.1033 6.1033 6.5985 6.5985 7.3200 7.3200 9.0182 9.0182 9.1647 9.1647 12.0522 12.0522 12.6069 12.6069 12.7431 12.7431 13.5193 13.5193 13.8157 13.8157 k = 0.3156-0.9505-1.7050 ( 3839 PWs) bands (ev): -40.0943 -40.0943 -37.9295 -37.9295 -19.2349 -19.2349 -18.7924 -18.7924 -18.6449 -18.6449 -17.0180 -17.0180 -16.5396 -16.5396 -16.4923 -16.4923 -9.0233 -9.0233 -8.9669 -8.9669 1.1977 1.1977 1.2088 1.2088 3.7748 3.7748 3.8369 3.8369 4.5209 4.5209 4.6134 4.6134 4.7169 4.7169 5.7937 5.7937 6.0952 6.0952 6.1021 6.1021 6.5418 6.5418 7.2998 7.2998 9.0200 9.0200 9.1657 9.1657 12.0566 12.0566 12.6223 12.6223 12.7287 12.7287 13.5610 13.5610 13.8198 13.8198 k = 0.3207-0.9661-1.7330 ( 3839 PWs) bands (ev): -40.0941 -40.0941 -37.9294 -37.9294 -19.2346 -19.2346 -18.7933 -18.7933 -18.6456 -18.6456 -17.0181 -17.0181 -16.5392 -16.5392 -16.4936 -16.4936 -9.0158 -9.0158 -8.9729 -8.9729 1.2100 1.2100 1.2144 1.2144 3.7854 3.7854 3.8345 3.8345 4.5414 4.5414 4.5993 4.5993 4.6914 4.6914 5.8013 5.8013 6.1002 6.1002 6.1167 6.1167 6.4958 6.4958 7.2836 7.2836 9.0195 9.0195 9.1677 9.1677 12.0605 12.0605 12.6375 12.6375 12.7143 12.7143 13.6034 13.6034 13.8163 13.8163 k = 0.3259-0.9817-1.7609 ( 3839 PWs) bands (ev): -40.0941 -40.0941 -37.9293 -37.9293 -19.2344 -19.2344 -18.7939 -18.7939 -18.6460 -18.6460 -17.0181 -17.0181 -16.5389 -16.5389 -16.4944 -16.4944 -9.0083 -9.0083 -8.9793 -8.9793 1.2155 1.2155 1.2203 1.2203 3.7967 3.7967 3.8283 3.8283 4.5628 4.5628 4.5906 4.5906 4.6676 4.6676 5.8057 5.8057 6.1048 6.1048 6.1247 6.1247 6.4670 6.4670 7.2717 7.2717 9.0168 9.0168 9.1706 9.1706 12.0636 12.0636 12.6522 12.6522 12.7001 12.7001 13.6464 13.6464 13.8026 13.8026 k = 0.3311-0.9973-1.7889 ( 3839 PWs) bands (ev): -40.0940 -40.0940 -37.9293 -37.9293 -19.2343 -19.2343 -18.7942 -18.7942 -18.6463 -18.6463 -17.0181 -17.0181 -16.5387 -16.5387 -16.4949 -16.4949 -9.0023 -9.0023 -8.9849 -8.9849 1.2135 1.2135 1.2277 1.2277 3.8072 3.8072 3.8194 3.8194 4.5729 4.5729 4.5994 4.5994 4.6455 4.6455 5.8065 5.8065 6.1112 6.1112 6.1179 6.1179 6.4616 6.4616 7.2646 7.2646 9.0121 9.0121 9.1744 9.1744 12.0658 12.0658 12.6648 12.6648 12.6877 12.6877 13.6899 13.6899 13.7766 13.7766 k = 0.3363-1.0129-1.8168 ( 3837 PWs) bands (ev): -40.0940 -40.0940 -37.9293 -37.9293 -19.2343 -19.2343 -18.7942 -18.7942 -18.6462 -18.6462 -17.0181 -17.0181 -16.5387 -16.5387 -16.4949 -16.4949 -9.0029 -9.0029 -8.9843 -8.9843 1.2080 1.2080 1.2330 1.2330 3.8002 3.8002 3.8245 3.8245 4.5715 4.5715 4.6210 4.6210 4.6297 4.6297 5.8038 5.8038 6.0889 6.0889 6.1251 6.1251 6.4810 6.4810 7.2626 7.2626 9.0055 9.0055 9.1790 9.1790 12.0669 12.0669 12.6642 12.6642 12.6885 12.6885 13.7322 13.7322 13.7395 13.7395 k = 0.6637-0.9320-1.7693 ( 3837 PWs) bands (ev): -40.0940 -40.0940 -37.9293 -37.9293 -19.2343 -19.2343 -18.7942 -18.7942 -18.6462 -18.6462 -17.0181 -17.0181 -16.5387 -16.5387 -16.4949 -16.4949 -9.0029 -9.0029 -8.9843 -8.9843 1.2080 1.2080 1.2330 1.2330 3.8002 3.8002 3.8245 3.8245 4.5715 4.5715 4.6210 4.6210 4.6297 4.6297 5.8038 5.8038 6.0889 6.0889 6.1251 6.1251 6.4810 6.4810 7.2626 7.2626 9.0055 9.0055 9.1790 9.1790 12.0669 12.0669 12.6642 12.6642 12.6885 12.6885 13.7322 13.7322 13.7395 13.7395 k = 0.6586-0.9004-1.7693 ( 3839 PWs) bands (ev): -40.0941 -40.0941 -37.9293 -37.9293 -19.2344 -19.2344 -18.7939 -18.7939 -18.6460 -18.6460 -17.0181 -17.0181 -16.5389 -16.5389 -16.4943 -16.4943 -9.0103 -9.0103 -8.9774 -8.9774 1.1996 1.1996 1.2361 1.2361 3.7816 3.7816 3.8377 3.8377 4.5710 4.5710 4.6055 4.6055 4.6574 4.6574 5.7976 5.7976 6.0501 6.0501 6.1386 6.1386 6.5196 6.5196 7.2658 7.2658 8.9972 8.9972 9.1842 9.1842 12.0667 12.0667 12.6519 12.6519 12.7011 12.7011 13.6867 13.6867 13.7786 13.7786 k = 0.6535-0.8687-1.7693 ( 3837 PWs) bands (ev): -40.0941 -40.0941 -37.9294 -37.9294 -19.2348 -19.2348 -18.7932 -18.7932 -18.6454 -18.6454 -17.0181 -17.0181 -16.5394 -16.5394 -16.4933 -16.4933 -9.0198 -9.0198 -8.9688 -8.9688 1.1884 1.1884 1.2372 1.2372 3.7587 3.7587 3.8518 3.8518 4.5724 4.5724 4.5890 4.5890 4.6908 4.6908 5.7884 5.7884 6.0040 6.0040 6.1541 6.1541 6.5723 6.5723 7.2745 7.2745 8.9873 8.9873 9.1901 9.1901 12.0652 12.0652 12.6382 12.6382 12.7155 12.7155 13.6263 13.6263 13.8232 13.8232 k = 0.6484-0.8371-1.7693 ( 3833 PWs) bands (ev): -40.0943 -40.0943 -37.9295 -37.9295 -19.2353 -19.2353 -18.7923 -18.7923 -18.6446 -18.6446 -17.0181 -17.0181 -16.5400 -16.5400 -16.4918 -16.4918 -9.0304 -9.0304 -8.9596 -8.9596 1.1749 1.1749 1.2365 1.2365 3.7321 3.7321 3.8665 3.8665 4.5710 4.5710 4.5786 4.5786 4.7266 4.7266 5.7764 5.7764 5.9545 5.9545 6.1707 6.1707 6.6352 6.6352 7.2888 7.2888 8.9760 8.9760 9.1966 9.1966 12.0621 12.0621 12.6245 12.6245 12.7302 12.7302 13.5584 13.5584 13.8683 13.8683 k = 0.6433-0.8054-1.7693 ( 3837 PWs) bands (ev): -40.0944 -40.0944 -37.9296 -37.9296 -19.2361 -19.2361 -18.7912 -18.7912 -18.6435 -18.6435 -17.0182 -17.0182 -16.5409 -16.5409 -16.4899 -16.4899 -9.0416 -9.0416 -8.9501 -8.9501 1.1594 1.1594 1.2342 1.2342 3.7026 3.7026 3.8814 3.8814 4.5589 4.5589 4.5819 4.5819 4.7647 4.7647 5.7620 5.7620 5.9036 5.9036 6.1878 6.1878 6.7061 6.7061 7.3087 7.3087 8.9634 8.9634 9.2035 9.2035 12.0573 12.0573 12.6113 12.6113 12.7450 12.7450 13.4849 13.4849 13.9136 13.9136 k = 0.6382-0.7738-1.7693 ( 3841 PWs) bands (ev): -40.0946 -40.0946 -37.9298 -37.9298 -19.2371 -19.2371 -18.7899 -18.7899 -18.6420 -18.6420 -17.0183 -17.0183 -16.5419 -16.5419 -16.4875 -16.4875 -9.0534 -9.0534 -8.9405 -8.9405 1.1421 1.1421 1.2304 1.2304 3.6707 3.6707 3.8965 3.8965 4.5473 4.5473 4.5870 4.5870 4.8047 4.8047 5.7453 5.7453 5.8528 5.8528 6.2050 6.2050 6.7838 6.7838 7.3343 7.3343 8.9497 8.9497 9.2110 9.2110 12.0506 12.0506 12.5987 12.5987 12.7601 12.7601 13.4076 13.4076 13.9589 13.9589 k = 0.6330-0.7421-1.7693 ( 3847 PWs) bands (ev): -40.0948 -40.0948 -37.9300 -37.9300 -19.2383 -19.2383 -18.7885 -18.7885 -18.6402 -18.6402 -17.0185 -17.0185 -16.5430 -16.5430 -16.4848 -16.4848 -9.0656 -9.0656 -8.9307 -8.9307 1.1233 1.1233 1.2253 1.2253 3.6368 3.6368 3.9115 3.9115 4.5373 4.5373 4.5924 4.5924 4.8467 4.8467 5.7267 5.7267 5.8028 5.8028 6.2218 6.2218 6.8672 6.8672 7.3654 7.3654 8.9349 8.9349 9.2189 9.2189 12.0419 12.0419 12.5868 12.5868 12.7752 12.7752 13.3279 13.3279 14.0041 14.0041 k = 0.6279-0.7105-1.7693 ( 3849 PWs) bands (ev): -40.0950 -40.0950 -37.9301 -37.9301 -19.2397 -19.2397 -18.7868 -18.7868 -18.6380 -18.6380 -17.0187 -17.0187 -16.5443 -16.5443 -16.4817 -16.4817 -9.0781 -9.0781 -8.9208 -8.9208 1.1034 1.1034 1.2189 1.2189 3.6016 3.6016 3.9263 3.9263 4.5291 4.5291 4.5975 4.5975 4.8904 4.8904 5.7063 5.7063 5.7541 5.7541 6.2380 6.2380 6.9557 6.9557 7.4018 7.4018 8.9195 8.9195 9.2272 9.2272 12.0310 12.0310 12.5756 12.5756 12.7905 12.7905 13.2468 13.2468 14.0488 14.0488 k = 0.6228-0.6788-1.7693 ( 3849 PWs) bands (ev): -40.0953 -40.0953 -37.9304 -37.9304 -19.2412 -19.2412 -18.7852 -18.7852 -18.6355 -18.6355 -17.0189 -17.0189 -16.5456 -16.5456 -16.4784 -16.4784 -9.0909 -9.0909 -8.9110 -8.9110 1.0825 1.0825 1.2117 1.2117 3.5653 3.5653 3.9409 3.9409 4.5228 4.5228 4.6018 4.6018 4.9356 4.9356 5.6843 5.6843 5.7070 5.7070 6.2533 6.2533 7.0489 7.0489 7.4433 7.4433 8.9034 8.9034 9.2358 9.2358 12.0179 12.0179 12.5650 12.5650 12.8059 12.8059 13.1653 13.1653 14.0927 14.0927 k = 0.6177-0.6472-1.7693 ( 3851 PWs) bands (ev): -40.0955 -40.0955 -37.9306 -37.9306 -19.2430 -19.2430 -18.7835 -18.7835 -18.6326 -18.6326 -17.0192 -17.0192 -16.5470 -16.5470 -16.4748 -16.4748 -9.1040 -9.1040 -8.9011 -8.9011 1.0610 1.0610 1.2035 1.2035 3.5285 3.5285 3.9551 3.9551 4.5184 4.5184 4.6051 4.6051 4.9821 4.9821 5.6594 5.6594 5.6631 5.6631 6.2676 6.2676 7.1461 7.1461 7.4895 7.4895 8.8869 8.8869 9.2447 9.2447 12.0024 12.0024 12.5547 12.5547 12.8214 12.8214 13.0842 13.0842 14.1352 14.1352 k = 0.6126-0.6155-1.7693 ( 3851 PWs) bands (ev): -40.0958 -40.0958 -37.9308 -37.9308 -19.2449 -19.2449 -18.7818 -18.7818 -18.6294 -18.6294 -17.0196 -17.0196 -16.5484 -16.5484 -16.4711 -16.4711 -9.1171 -9.1171 -8.8913 -8.8913 1.0390 1.0390 1.1947 1.1947 3.4914 3.4914 3.9687 3.9687 4.5158 4.5158 4.6072 4.6072 5.0296 5.0296 5.6180 5.6180 5.6365 5.6365 6.2809 6.2809 7.2469 7.2469 7.5400 7.5400 8.8702 8.8702 9.2539 9.2539 11.9847 11.9847 12.5441 12.5441 12.8370 12.8370 13.0046 13.0046 14.1756 14.1756 k = 0.6075-0.5839-1.7693 ( 3847 PWs) bands (ev): -40.0961 -40.0961 -37.9311 -37.9311 -19.2470 -19.2470 -18.7801 -18.7801 -18.6258 -18.6258 -17.0199 -17.0199 -16.5498 -16.5498 -16.4672 -16.4672 -9.1303 -9.1303 -8.8817 -8.8817 1.0168 1.0168 1.1853 1.1853 3.4544 3.4544 3.9817 3.9817 4.5153 4.5153 4.6080 4.6080 5.0779 5.0779 5.5770 5.5770 5.6106 5.6106 6.2930 6.2930 7.3508 7.3508 7.5943 7.5943 8.8537 8.8537 9.2632 9.2632 11.9648 11.9648 12.5321 12.5321 12.8526 12.8526 12.9278 12.9278 14.2133 14.2134 k = 0.6023-0.5522-1.7693 ( 3845 PWs) bands (ev): -40.0964 -40.0964 -37.9313 -37.9313 -19.2492 -19.2492 -18.7785 -18.7785 -18.6219 -18.6219 -17.0203 -17.0203 -16.5512 -16.5512 -16.4631 -16.4631 -9.1434 -9.1434 -8.8722 -8.8722 0.9945 0.9945 1.1756 1.1756 3.4177 3.4177 3.9940 3.9940 4.5167 4.5167 4.6074 4.6074 5.1267 5.1267 5.5382 5.5382 5.5839 5.5839 6.3040 6.3040 7.4572 7.4572 7.6520 7.6520 8.8374 8.8374 9.2727 9.2727 11.9426 11.9426 12.5169 12.5169 12.8542 12.8542 12.8697 12.8697 14.2475 14.2475 k = 0.5972-0.5206-1.7693 ( 3843 PWs) bands (ev): -40.0967 -40.0967 -37.9316 -37.9316 -19.2515 -19.2515 -18.7770 -18.7770 -18.6177 -18.6177 -17.0208 -17.0208 -16.5526 -16.5526 -16.4591 -16.4591 -9.1565 -9.1565 -8.8629 -8.8629 0.9724 0.9724 1.1655 1.1655 3.3816 3.3816 4.0055 4.0055 4.5200 4.5200 4.6056 4.6056 5.1756 5.1756 5.5018 5.5018 5.5562 5.5562 6.3140 6.3140 7.5656 7.5656 7.7126 7.7126 8.8217 8.8217 9.2823 9.2823 11.9183 11.9183 12.4958 12.4958 12.7908 12.7908 12.8843 12.8843 14.2774 14.2774 k = 0.5921-0.4889-1.7693 ( 3843 PWs) bands (ev): -40.0970 -40.0970 -37.9319 -37.9319 -19.2539 -19.2539 -18.7757 -18.7757 -18.6133 -18.6133 -17.0212 -17.0212 -16.5540 -16.5540 -16.4549 -16.4549 -9.1693 -9.1693 -8.8538 -8.8538 0.9506 0.9506 1.1553 1.1553 3.3464 3.3464 4.0162 4.0162 4.5253 4.5253 4.6025 4.6025 5.2242 5.2242 5.4680 5.4680 5.5279 5.5279 6.3228 6.3228 7.6753 7.6753 7.7754 7.7754 8.8071 8.8071 9.2919 9.2919 11.8919 11.8919 12.4653 12.4653 12.7378 12.7378 12.8997 12.8997 14.3024 14.3024 k = 0.5870-0.4573-1.7693 ( 3843 PWs) bands (ev): -40.0973 -40.0973 -37.9321 -37.9321 -19.2563 -19.2563 -18.7744 -18.7744 -18.6086 -18.6086 -17.0218 -17.0218 -16.5553 -16.5553 -16.4508 -16.4508 -9.1819 -9.1819 -8.8450 -8.8450 0.9293 0.9293 1.1451 1.1451 3.3121 3.3121 4.0260 4.0260 4.5325 4.5325 4.5982 4.5982 5.2718 5.2718 5.4372 5.4372 5.4990 5.4990 6.3306 6.3306 7.7855 7.7855 7.8401 7.8401 8.7940 8.7940 9.3014 9.3014 11.8633 11.8633 12.4227 12.4227 12.6989 12.6989 12.9150 12.9150 14.3221 14.3221 k = 0.5819-0.4256-1.7693 ( 3847 PWs) bands (ev): -40.0976 -40.0976 -37.9324 -37.9324 -19.2587 -19.2587 -18.7733 -18.7733 -18.6039 -18.6039 -17.0223 -17.0223 -16.5566 -16.5566 -16.4467 -16.4467 -9.1943 -9.1943 -8.8365 -8.8365 0.9085 0.9085 1.1349 1.1349 3.2790 3.2790 4.0349 4.0349 4.5415 4.5415 4.5929 4.5929 5.3163 5.3163 5.4110 5.4110 5.4696 5.4696 6.3374 6.3374 7.8947 7.8947 7.9064 7.9064 8.7832 8.7832 9.3108 9.3108 11.8324 11.8324 12.3691 12.3691 12.6735 12.6735 12.9300 12.9300 14.3364 14.3366 k = 0.5768-0.3939-1.7693 ( 3845 PWs) bands (ev): -40.0979 -40.0979 -37.9326 -37.9326 -19.2611 -19.2611 -18.7724 -18.7724 -18.5990 -18.5990 -17.0228 -17.0228 -16.5578 -16.5578 -16.4427 -16.4427 -9.2062 -9.2062 -8.8283 -8.8283 0.8885 0.8885 1.1249 1.1249 3.2473 3.2473 4.0430 4.0430 4.5523 4.5523 4.5868 4.5868 5.3469 5.3469 5.4000 5.4000 5.4402 5.4402 6.3433 6.3433 7.9721 7.9721 8.0034 8.0034 8.7755 8.7755 9.3200 9.3200 11.7992 11.7992 12.3080 12.3080 12.6582 12.6582 12.9447 12.9447 14.3453 14.3458 k = 0.5716-0.3623-1.7693 ( 3847 PWs) bands (ev): -40.0982 -40.0982 -37.9329 -37.9329 -19.2635 -19.2635 -18.7715 -18.7715 -18.5941 -18.5941 -17.0234 -17.0234 -16.5590 -16.5590 -16.4388 -16.4388 -9.2177 -9.2177 -8.8205 -8.8205 0.8693 0.8693 1.1151 1.1151 3.2170 3.2170 4.0502 4.0502 4.5644 4.5644 4.5804 4.5804 5.3406 5.3406 5.4075 5.4075 5.4298 5.4298 6.3483 6.3483 8.0388 8.0388 8.1072 8.1072 8.7727 8.7727 9.3289 9.3289 11.7632 11.7632 12.2436 12.2436 12.6495 12.6495 12.9590 12.9590 14.3499 14.3599 k = 0.5665-0.3306-1.7693 ( 3847 PWs) bands (ev): -40.0985 -40.0985 -37.9332 -37.9332 -19.2658 -19.2658 -18.7708 -18.7708 -18.5892 -18.5892 -17.0239 -17.0239 -16.5601 -16.5601 -16.4350 -16.4350 -9.2287 -9.2287 -8.8131 -8.8131 0.8510 0.8510 1.1057 1.1057 3.1883 3.1883 4.0566 4.0566 4.5705 4.5705 4.5810 4.5810 5.3215 5.3215 5.3786 5.3786 5.4691 5.4691 6.3525 6.3525 8.1049 8.1049 8.2046 8.2046 8.7769 8.7769 9.3374 9.3374 11.7240 11.7240 12.1791 12.1791 12.6451 12.6451 12.9728 12.9728 14.3629 14.3785 k = 0.5614-0.2990-1.7693 ( 3845 PWs) bands (ev): -40.0988 -40.0988 -37.9334 -37.9334 -19.2681 -19.2681 -18.7702 -18.7702 -18.5844 -18.5844 -17.0244 -17.0244 -16.5612 -16.5612 -16.4314 -16.4314 -9.2391 -9.2391 -8.8061 -8.8061 0.8338 0.8338 1.0967 1.0967 3.1614 3.1614 4.0622 4.0622 4.5637 4.5637 4.5956 4.5956 5.3019 5.3019 5.3485 5.3485 5.5104 5.5104 6.3560 6.3560 8.1698 8.1698 8.2915 8.2915 8.7918 8.7918 9.3454 9.3454 11.6811 11.6811 12.1168 12.1168 12.6432 12.6432 12.9859 12.9859 14.3609 14.4260 k = 0.5563-0.2673-1.7693 ( 3847 PWs) bands (ev): -40.0991 -40.0991 -37.9336 -37.9336 -19.2703 -19.2703 -18.7696 -18.7696 -18.5797 -18.5797 -17.0250 -17.0250 -16.5621 -16.5621 -16.4279 -16.4279 -9.2489 -9.2489 -8.7995 -8.7995 0.8176 0.8176 1.0881 1.0881 3.1362 3.1362 4.0672 4.0672 4.5559 4.5559 4.6124 4.6124 5.2836 5.2836 5.3184 5.3184 5.5506 5.5506 6.3587 6.3587 8.2330 8.2330 8.3632 8.3632 8.8214 8.8214 9.3529 9.3529 11.6342 11.6342 12.0585 12.0585 12.6429 12.6429 12.9984 12.9984 14.3780 14.4304 k = 0.5512-0.2357-1.7693 ( 3851 PWs) bands (ev): -40.0993 -40.0993 -37.9338 -37.9338 -19.2723 -19.2723 -18.7692 -18.7692 -18.5753 -18.5753 -17.0255 -17.0255 -16.5631 -16.5631 -16.4247 -16.4247 -9.2581 -9.2581 -8.7935 -8.7935 0.8026 0.8026 1.0802 1.0802 3.1129 3.1129 4.0714 4.0714 4.5479 4.5479 4.6304 4.6304 5.2668 5.2668 5.2886 5.2886 5.5886 5.5886 6.3610 6.3610 8.2938 8.2938 8.4161 8.4161 8.8685 8.8685 9.3598 9.3598 11.5831 11.5831 12.0054 12.0054 12.6436 12.6436 13.0101 13.0101 14.3453 14.3791 k = 0.5461-0.2040-1.7693 ( 3847 PWs) bands (ev): -40.0996 -40.0996 -37.9340 -37.9340 -19.2742 -19.2742 -18.7689 -18.7689 -18.5711 -18.5711 -17.0259 -17.0259 -16.5639 -16.5639 -16.4217 -16.4217 -9.2665 -9.2665 -8.7879 -8.7879 0.7889 0.7889 1.0728 1.0728 3.0917 3.0917 4.0751 4.0751 4.5401 4.5401 4.6494 4.6494 5.2509 5.2509 5.2601 5.2601 5.6242 5.6242 6.3627 6.3627 8.3516 8.3516 8.4507 8.4507 8.9321 8.9321 9.3659 9.3659 11.5280 11.5280 11.9585 11.9585 12.6449 12.6449 13.0210 13.0210 14.3494 14.4031 k = 0.5409-0.1724-1.7693 ( 3839 PWs) bands (ev): -40.0998 -40.0998 -37.9342 -37.9342 -19.2759 -19.2759 -18.7686 -18.7686 -18.5672 -18.5672 -17.0263 -17.0263 -16.5646 -16.5646 -16.4189 -16.4189 -9.2741 -9.2741 -8.7829 -8.7829 0.7765 0.7765 1.0661 1.0661 3.0725 3.0725 4.0782 4.0782 4.5326 4.5326 4.6691 4.6691 5.2282 5.2282 5.2406 5.2406 5.6569 5.6569 6.3640 6.3640 8.4057 8.4057 8.4710 8.4710 9.0070 9.0070 9.3713 9.3713 11.4699 11.4699 11.9178 11.9178 12.6466 12.6466 13.0311 13.0311 14.3251 14.3319 k = 0.5358-0.1407-1.7693 ( 3839 PWs) bands (ev): -40.1000 -40.1000 -37.9344 -37.9344 -19.2775 -19.2775 -18.7683 -18.7683 -18.5636 -18.5636 -17.0267 -17.0267 -16.5653 -16.5653 -16.4164 -16.4164 -9.2810 -9.2810 -8.7784 -8.7784 0.7654 0.7654 1.0600 1.0600 3.0554 3.0554 4.0809 4.0809 4.5256 4.5256 4.6892 4.6892 5.2007 5.2007 5.2285 5.2285 5.6865 5.6865 6.3649 6.3649 8.4555 8.4555 8.4819 8.4819 9.0872 9.0872 9.3760 9.3760 11.4101 11.4101 11.8832 11.8832 12.6483 12.6483 13.0401 13.0401 14.2942 14.3350 k = 0.5307-0.1091-1.7693 ( 3835 PWs) bands (ev): -40.1001 -40.1001 -37.9345 -37.9345 -19.2789 -19.2789 -18.7681 -18.7681 -18.5605 -18.5605 -17.0271 -17.0271 -16.5658 -16.5658 -16.4142 -16.4142 -9.2870 -9.2870 -8.7745 -8.7745 0.7557 0.7557 1.0547 1.0547 3.0405 3.0405 4.0831 4.0831 4.5193 4.5193 4.7092 4.7092 5.1739 5.1739 5.2186 5.2186 5.7126 5.7126 6.3655 6.3655 8.4866 8.4866 8.5008 8.5008 9.1675 9.1675 9.3799 9.3799 11.3506 11.3506 11.8544 11.8544 12.6501 12.6501 13.0482 13.0482 14.2695 14.2779 k = 0.5256-0.0774-1.7693 ( 3833 PWs) bands (ev): -40.1003 -40.1003 -37.9346 -37.9346 -19.2801 -19.2801 -18.7680 -18.7680 -18.5577 -18.5577 -17.0274 -17.0274 -16.5663 -16.5663 -16.4123 -16.4123 -9.2921 -9.2921 -8.7711 -8.7711 0.7475 0.7475 1.0502 1.0502 3.0277 3.0277 4.0849 4.0849 4.5137 4.5137 4.7287 4.7287 5.1486 5.1486 5.2103 5.2103 5.7352 5.7352 6.3660 6.3660 8.4887 8.4887 8.5399 8.5399 9.2436 9.2436 9.3831 9.3831 11.2936 11.2936 11.8307 11.8307 12.6517 12.6517 13.0551 13.0551 14.2561 14.2566 k = 0.5205-0.0458-1.7693 ( 3829 PWs) bands (ev): -40.1004 -40.1004 -37.9347 -37.9347 -19.2811 -19.2811 -18.7679 -18.7679 -18.5554 -18.5554 -17.0277 -17.0277 -16.5667 -16.5667 -16.4108 -16.4108 -9.2964 -9.2964 -8.7684 -8.7684 0.7407 0.7407 1.0464 1.0464 3.0173 3.0173 4.0863 4.0863 4.5090 4.5090 4.7470 4.7470 5.1256 5.1256 5.2036 5.2036 5.7539 5.7539 6.3662 6.3662 8.4890 8.4890 8.5730 8.5730 9.3118 9.3118 9.3859 9.3859 11.2415 11.2415 11.8119 11.8119 12.6530 12.6530 13.0609 13.0609 14.2442 14.2443 k = 0.5154-0.0141-1.7693 ( 3827 PWs) bands (ev): -40.1005 -40.1005 -37.9348 -37.9348 -19.2818 -19.2818 -18.7678 -18.7678 -18.5536 -18.5536 -17.0279 -17.0279 -16.5670 -16.5670 -16.4096 -16.4096 -9.2997 -9.2997 -8.7662 -8.7662 0.7354 0.7354 1.0435 1.0435 3.0092 3.0092 4.0874 4.0874 4.5053 4.5053 4.7633 4.7633 5.1058 5.1058 5.1985 5.1985 5.7687 5.7687 6.3664 6.3664 8.4885 8.4885 8.5994 8.5994 9.3670 9.3670 9.3903 9.3903 11.1970 11.1970 11.7976 11.7976 12.6542 12.6542 13.0655 13.0655 14.2343 14.2347 k = 0.5102 0.0175-1.7693 ( 3823 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2824 -19.2824 -18.7677 -18.7677 -18.5523 -18.5523 -17.0280 -17.0280 -16.5673 -16.5673 -16.4087 -16.4087 -9.3021 -9.3021 -8.7647 -8.7647 0.7316 0.7316 1.0414 1.0414 3.0033 3.0033 4.0881 4.0881 4.5025 4.5025 4.7763 4.7763 5.0902 5.0902 5.1949 5.1949 5.7793 5.7793 6.3665 6.3665 8.4878 8.4878 8.6186 8.6186 9.3853 9.3853 9.4171 9.4171 11.1627 11.1627 11.7875 11.7875 12.6550 12.6550 13.0688 13.0688 14.2269 14.2270 k = 0.5051 0.0492-1.7693 ( 3821 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2827 -19.2827 -18.7677 -18.7677 -18.5515 -18.5515 -17.0281 -17.0281 -16.5674 -16.5674 -16.4081 -16.4081 -9.3035 -9.3035 -8.7637 -8.7637 0.7293 0.7293 1.0401 1.0401 2.9998 2.9998 4.0886 4.0886 4.5009 4.5009 4.7848 4.7848 5.0802 5.0802 5.1927 5.1927 5.7857 5.7857 6.3665 6.3665 8.4873 8.4873 8.6303 8.6303 9.3871 9.3871 9.4436 9.4436 11.1410 11.1410 11.7815 11.7815 12.6555 12.6555 13.0708 13.0708 14.2224 14.2227 k = 0.5000 0.0808-1.7693 ( 3822 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2829 -19.2829 -18.7677 -18.7677 -18.5512 -18.5512 -17.0281 -17.0281 -16.5674 -16.5674 -16.4080 -16.4080 -9.3040 -9.3040 -8.7634 -8.7634 0.7285 0.7285 1.0397 1.0397 2.9986 2.9986 4.0887 4.0887 4.5003 4.5003 4.7878 4.7878 5.0767 5.0767 5.1920 5.1920 5.7878 5.7878 6.3665 6.3665 8.4871 8.4871 8.6342 8.6342 9.3875 9.3875 9.4528 9.4528 11.1336 11.1336 11.7796 11.7796 12.6557 12.6557 13.0715 13.0715 14.2208 14.2209 k = 0.5000 0.0808-1.7693 ( 3822 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2829 -19.2829 -18.7677 -18.7677 -18.5512 -18.5512 -17.0281 -17.0281 -16.5674 -16.5674 -16.4080 -16.4080 -9.3040 -9.3040 -8.7634 -8.7634 0.7285 0.7285 1.0397 1.0397 2.9986 2.9986 4.0887 4.0887 4.5003 4.5003 4.7878 4.7878 5.0767 5.0767 5.1920 5.1920 5.7878 5.7878 6.3665 6.3665 8.4871 8.4871 8.6342 8.6342 9.3875 9.3875 9.4528 9.4528 11.1336 11.1336 11.7796 11.7796 12.6557 12.6557 13.0715 13.0715 14.2210 14.2211 k = 0.5273 0.0852-1.7614 ( 3823 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2828 -19.2828 -18.7677 -18.7677 -18.5512 -18.5512 -17.0281 -17.0281 -16.5674 -16.5674 -16.4079 -16.4079 -9.3040 -9.3040 -8.7635 -8.7635 0.7285 0.7285 1.0396 1.0396 2.9989 2.9989 4.0863 4.0863 4.5022 4.5022 4.7877 4.7877 5.0767 5.0767 5.1940 5.1940 5.7878 5.7878 6.3645 6.3645 8.4875 8.4875 8.6343 8.6343 9.3875 9.3875 9.4527 9.4527 11.1344 11.1344 11.7788 11.7788 12.6556 12.6556 13.0715 13.0715 14.2214 14.2218 k = 0.5546 0.0897-1.7535 ( 3828 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2828 -19.2828 -18.7677 -18.7677 -18.5513 -18.5513 -17.0281 -17.0281 -16.5674 -16.5674 -16.4080 -16.4080 -9.3040 -9.3040 -8.7635 -8.7635 0.7284 0.7284 1.0392 1.0392 2.9998 2.9998 4.0794 4.0794 4.5076 4.5076 4.7874 4.7874 5.0767 5.0767 5.2001 5.2001 5.7878 5.7878 6.3586 6.3586 8.4888 8.4888 8.6345 8.6345 9.3875 9.3875 9.4526 9.4526 11.1369 11.1369 11.7765 11.7765 12.6551 12.6551 13.0715 13.0715 14.2224 14.2229 k = 0.5819 0.0941-1.7456 ( 3834 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2828 -19.2828 -18.7677 -18.7677 -18.5513 -18.5513 -17.0281 -17.0281 -16.5674 -16.5674 -16.4080 -16.4080 -9.3039 -9.3039 -8.7636 -8.7636 0.7282 0.7282 1.0386 1.0386 3.0012 3.0012 4.0684 4.0684 4.5158 4.5158 4.7869 4.7869 5.0767 5.0767 5.2104 5.2104 5.7878 5.7878 6.3488 6.3488 8.4909 8.4909 8.6349 8.6349 9.3876 9.3876 9.4523 9.4523 11.1412 11.1412 11.7727 11.7727 12.6545 12.6545 13.0715 13.0715 14.2243 14.2246 k = 0.6092 0.0985-1.7377 ( 3829 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2827 -19.2827 -18.7677 -18.7677 -18.5513 -18.5513 -17.0281 -17.0281 -16.5674 -16.5674 -16.4079 -16.4079 -9.3038 -9.3038 -8.7637 -8.7637 0.7280 0.7280 1.0378 1.0378 3.0032 3.0032 4.0544 4.0544 4.5259 4.5259 4.7864 4.7864 5.0768 5.0768 5.2246 5.2246 5.7877 5.7877 6.3353 6.3353 8.4938 8.4938 8.6355 8.6355 9.3877 9.3877 9.4520 9.4520 11.1470 11.1470 11.7675 11.7675 12.6536 12.6536 13.0715 13.0715 14.2266 14.2269 k = 0.6364 0.1029-1.7298 ( 3836 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2827 -19.2827 -18.7677 -18.7677 -18.5513 -18.5513 -17.0280 -17.0280 -16.5674 -16.5674 -16.4079 -16.4079 -9.3038 -9.3038 -8.7639 -8.7639 0.7276 0.7276 1.0368 1.0368 3.0056 3.0056 4.0383 4.0383 4.5371 4.5371 4.7859 4.7859 5.0768 5.0768 5.2429 5.2429 5.7877 5.7877 6.3181 6.3181 8.4973 8.4973 8.6362 8.6362 9.3879 9.3879 9.4515 9.4515 11.1543 11.1543 11.7609 11.7609 12.6524 12.6524 13.0715 13.0715 14.2292 14.2293 k = 0.6637 0.1073-1.7219 ( 3837 PWs) bands (ev): -40.1007 -40.1007 -37.9350 -37.9350 -19.2826 -19.2826 -18.7677 -18.7677 -18.5513 -18.5513 -17.0280 -17.0280 -16.5674 -16.5674 -16.4079 -16.4079 -9.3037 -9.3037 -8.7641 -8.7641 0.7272 0.7272 1.0355 1.0355 3.0085 3.0085 4.0208 4.0208 4.5484 4.5484 4.7854 4.7854 5.0768 5.0768 5.2651 5.2651 5.7876 5.7876 6.2976 6.2976 8.5013 8.5013 8.6370 8.6370 9.3880 9.3880 9.4510 9.4510 11.1629 11.1629 11.7531 11.7531 12.6511 12.6511 13.0714 13.0714 14.2320 14.2322 k = 0.6637 0.1073-1.7219 ( 3837 PWs) bands (ev): -40.1007 -40.1007 -37.9350 -37.9350 -19.2826 -19.2826 -18.7677 -18.7677 -18.5513 -18.5513 -17.0280 -17.0280 -16.5674 -16.5674 -16.4079 -16.4079 -9.3037 -9.3037 -8.7641 -8.7641 0.7272 0.7272 1.0355 1.0355 3.0085 3.0085 4.0208 4.0208 4.5484 4.5484 4.7854 4.7854 5.0768 5.0768 5.2651 5.2651 5.7876 5.7876 6.2976 6.2976 8.5013 8.5013 8.6370 8.6370 9.3880 9.3880 9.4510 9.4510 11.1629 11.1629 11.7531 11.7531 12.6511 12.6511 13.0714 13.0714 14.2320 14.2321 k = 0.6608 0.1068-1.6897 ( 3836 PWs) bands (ev): -40.1008 -40.1008 -37.9351 -37.9351 -19.2818 -19.2818 -18.7675 -18.7675 -18.5512 -18.5512 -17.0276 -17.0276 -16.5671 -16.5671 -16.4078 -16.4078 -9.3031 -9.3031 -8.7661 -8.7661 0.7202 0.7202 1.0252 1.0252 3.0134 3.0134 4.0180 4.0180 4.5562 4.5562 4.8097 4.8097 5.0759 5.0759 5.2479 5.2479 5.7887 5.7887 6.3097 6.3097 8.4968 8.4968 8.6391 8.6391 9.3866 9.3866 9.4526 9.4526 11.1680 11.1680 11.7533 11.7533 12.6516 12.6516 13.0696 13.0696 14.2402 14.2406 k = 0.6578 0.1063-1.6575 ( 3842 PWs) bands (ev): -40.1010 -40.1010 -37.9352 -37.9352 -19.2804 -19.2804 -18.7672 -18.7672 -18.5512 -18.5512 -17.0269 -17.0269 -16.5666 -16.5666 -16.4076 -16.4076 -9.3020 -9.3020 -8.7695 -8.7695 0.7087 0.7087 1.0079 1.0079 3.0220 3.0220 4.0159 4.0159 4.5664 4.5664 4.8360 4.8360 5.0744 5.0744 5.2378 5.2378 5.7904 5.7904 6.3243 6.3243 8.4903 8.4903 8.6429 8.6429 9.3839 9.3839 9.4549 9.4549 11.1753 11.1753 11.7545 11.7545 12.6521 12.6521 13.0666 13.0666 14.2184 14.2184 k = 0.6548 0.1059-1.6254 ( 3840 PWs) bands (ev): -40.1013 -40.1013 -37.9355 -37.9355 -19.2785 -19.2785 -18.7667 -18.7667 -18.5511 -18.5511 -17.0259 -17.0259 -16.5660 -16.5660 -16.4074 -16.4074 -9.3005 -9.3005 -8.7742 -8.7742 0.6928 0.6928 0.9841 0.9841 3.0342 3.0342 4.0143 4.0143 4.5782 4.5782 4.8645 4.8645 5.0723 5.0723 5.2358 5.2358 5.7929 5.7929 6.3414 6.3414 8.4818 8.4818 8.6485 8.6485 9.3802 9.3802 9.4581 9.4581 11.1848 11.1848 11.7567 11.7567 12.6526 12.6526 13.0625 13.0625 14.1816 14.1816 k = 0.6518 0.1054-1.5932 ( 3848 PWs) bands (ev): -40.1016 -40.1016 -37.9358 -37.9358 -19.2760 -19.2760 -18.7661 -18.7661 -18.5510 -18.5510 -17.0246 -17.0246 -16.5652 -16.5652 -16.4070 -16.4070 -9.2986 -9.2986 -8.7801 -8.7801 0.6723 0.6723 0.9546 0.9546 3.0497 3.0497 4.0126 4.0126 4.5908 4.5908 4.8951 4.8951 5.0695 5.0695 5.2428 5.2428 5.7961 5.7961 6.3609 6.3609 8.4709 8.4709 8.6556 8.6556 9.3759 9.3759 9.4620 9.4620 11.1964 11.1964 11.7600 11.7600 12.6533 12.6533 13.0573 13.0573 14.1406 14.1406 k = 0.6489 0.1049-1.5610 ( 3846 PWs) bands (ev): -40.1021 -40.1021 -37.9362 -37.9362 -19.2730 -19.2730 -18.7654 -18.7654 -18.5508 -18.5508 -17.0231 -17.0231 -16.5641 -16.5641 -16.4066 -16.4066 -9.2964 -9.2964 -8.7873 -8.7873 0.6476 0.6476 0.9199 0.9199 3.0681 3.0681 4.0103 4.0103 4.6033 4.6033 4.9281 4.9281 5.0662 5.0662 5.2596 5.2596 5.8001 5.8001 6.3827 6.3827 8.4573 8.4573 8.6645 8.6645 9.3715 9.3715 9.4667 9.4667 11.2100 11.2100 11.7643 11.7643 12.6540 12.6540 13.0510 13.0510 14.0983 14.0983 k = 0.6459 0.1044-1.5288 ( 3842 PWs) bands (ev): -40.1026 -40.1026 -37.9366 -37.9366 -19.2695 -19.2695 -18.7645 -18.7645 -18.5506 -18.5506 -17.0213 -17.0213 -16.5629 -16.5629 -16.4061 -16.4061 -9.2938 -9.2938 -8.7956 -8.7956 0.6184 0.6184 0.8809 0.8809 3.0890 3.0890 4.0071 4.0071 4.6149 4.6149 4.9638 4.9638 5.0622 5.0622 5.2867 5.2867 5.8049 5.8049 6.4068 6.4068 8.4408 8.4408 8.6750 8.6750 9.3674 9.3674 9.4722 9.4722 11.2255 11.2255 11.7697 11.7697 12.6547 12.6547 13.0434 13.0434 14.0560 14.0560 k = 0.6429 0.1039-1.4967 ( 3846 PWs) bands (ev): -40.1032 -40.1032 -37.9371 -37.9371 -19.2656 -19.2656 -18.7635 -18.7635 -18.5504 -18.5504 -17.0193 -17.0193 -16.5615 -16.5615 -16.4055 -16.4055 -9.2910 -9.2910 -8.8051 -8.8051 0.5850 0.5850 0.8386 0.8386 3.1120 3.1120 4.0026 4.0026 4.6251 4.6251 5.0024 5.0024 5.0576 5.0576 5.3240 5.3240 5.8104 5.8104 6.4331 6.4331 8.4211 8.4211 8.6871 8.6871 9.3641 9.3641 9.4785 9.4785 11.2430 11.2430 11.7761 11.7761 12.6554 12.6554 13.0348 13.0348 14.0138 14.0138 k = 0.6399 0.1034-1.4645 ( 3842 PWs) bands (ev): -40.1039 -40.1039 -37.9377 -37.9377 -19.2611 -19.2611 -18.7624 -18.7624 -18.5501 -18.5501 -17.0171 -17.0171 -16.5599 -16.5599 -16.4048 -16.4048 -9.2880 -9.2880 -8.8156 -8.8156 0.5473 0.5473 0.7936 0.7936 3.1366 3.1366 3.9966 3.9966 4.6338 4.6338 5.0425 5.0425 5.0538 5.0538 5.3714 5.3714 5.8169 5.8169 6.4616 6.4616 8.3981 8.3981 8.7008 8.7008 9.3621 9.3621 9.4855 9.4855 11.2623 11.2623 11.7833 11.7833 12.6561 12.6561 13.0250 13.0250 13.9719 13.9719 k = 0.6369 0.1030-1.4323 ( 3842 PWs) bands (ev): -40.1047 -40.1047 -37.9384 -37.9384 -19.2563 -19.2563 -18.7610 -18.7610 -18.5498 -18.5498 -17.0147 -17.0147 -16.5581 -16.5581 -16.4040 -16.4040 -9.2848 -9.2848 -8.8269 -8.8269 0.5054 0.5054 0.7468 0.7468 3.1624 3.1624 3.9890 3.9890 4.6413 4.6413 5.0451 5.0451 5.0897 5.0897 5.4282 5.4282 5.8242 5.8242 6.4923 6.4923 8.3715 8.3715 8.7161 8.7161 9.3616 9.3616 9.4934 9.4934 11.2835 11.2835 11.7915 11.7915 12.6567 12.6567 13.0140 13.0140 13.9305 13.9305 k = 0.6340 0.1025-1.4002 ( 3840 PWs) bands (ev): -40.1055 -40.1055 -37.9391 -37.9391 -19.2510 -19.2510 -18.7595 -18.7595 -18.5493 -18.5493 -17.0120 -17.0120 -16.5562 -16.5562 -16.4031 -16.4031 -9.2817 -9.2817 -8.8391 -8.8391 0.4596 0.4596 0.6988 0.6988 3.1890 3.1890 3.9799 3.9799 4.6481 4.6481 5.0384 5.0384 5.1367 5.1367 5.4939 5.4939 5.8324 5.8324 6.5252 6.5252 8.3414 8.3414 8.7328 8.7328 9.3629 9.3629 9.5021 9.5021 11.3064 11.3064 11.8005 11.8005 12.6574 12.6574 13.0019 13.0019 13.8896 13.8896 k = 0.6310 0.1020-1.3680 ( 3842 PWs) bands (ev): -40.1064 -40.1064 -37.9398 -37.9398 -19.2454 -19.2454 -18.7579 -18.7579 -18.5489 -18.5489 -17.0092 -17.0092 -16.5540 -16.5540 -16.4021 -16.4021 -9.2787 -9.2787 -8.8519 -8.8519 0.4099 0.4099 0.6503 0.6503 3.2159 3.2159 3.9692 3.9692 4.6549 4.6549 5.0307 5.0307 5.1860 5.1860 5.5678 5.5678 5.8415 5.8415 6.5603 6.5603 8.3080 8.3080 8.7510 8.7510 9.3662 9.3662 9.5116 9.5116 11.3311 11.3311 11.8102 11.8102 12.6579 12.6579 12.9886 12.9886 13.8492 13.8492 k = 0.6280 0.1015-1.3358 ( 3844 PWs) bands (ev): -40.1073 -40.1073 -37.9406 -37.9406 -19.2395 -19.2395 -18.7560 -18.7560 -18.5483 -18.5483 -17.0062 -17.0062 -16.5517 -16.5517 -16.4010 -16.4010 -9.2758 -9.2758 -8.8651 -8.8651 0.3569 0.3569 0.6015 0.6015 3.2428 3.2428 3.9572 3.9572 4.6622 4.6622 5.0222 5.0222 5.2368 5.2368 5.6490 5.6490 5.8516 5.8516 6.5976 6.5976 8.2713 8.2713 8.7706 8.7706 9.3715 9.3715 9.5219 9.5219 11.3576 11.3576 11.8207 11.8207 12.6584 12.6584 12.9742 12.9742 13.8093 13.8093 k = 0.6250 0.1010-1.3037 ( 3845 PWs) bands (ev): -40.1084 -40.1084 -37.9415 -37.9415 -19.2333 -19.2333 -18.7540 -18.7540 -18.5476 -18.5476 -17.0031 -17.0031 -16.5492 -16.5492 -16.3998 -16.3998 -9.2734 -9.2734 -8.8787 -8.8787 0.3007 0.3007 0.5528 0.5528 3.2693 3.2693 3.9438 3.9438 4.6708 4.6708 5.0129 5.0129 5.2884 5.2884 5.7369 5.7369 5.8626 5.8626 6.6373 6.6373 8.2318 8.2318 8.7915 8.7915 9.3788 9.3788 9.5330 9.5330 11.3859 11.3859 11.8319 11.8319 12.6588 12.6588 12.9586 12.9586 13.7701 13.7701 k = 0.6221 0.1006-1.2715 ( 3833 PWs) bands (ev): -40.1094 -40.1094 -37.9424 -37.9424 -19.2268 -19.2268 -18.7517 -18.7517 -18.5468 -18.5468 -16.9999 -16.9999 -16.5465 -16.5465 -16.3985 -16.3985 -9.2716 -9.2716 -8.8922 -8.8922 0.2421 0.2421 0.5042 0.5042 3.2950 3.2950 3.9294 3.9294 4.6813 4.6813 5.0028 5.0028 5.3403 5.3403 5.8308 5.8308 5.8747 5.8747 6.6795 6.6795 8.1898 8.1898 8.8138 8.8138 9.3880 9.3880 9.5450 9.5450 11.4159 11.4159 11.8437 11.8437 12.6592 12.6592 12.9419 12.9419 13.7315 13.7315 k = 0.6191 0.1001-1.2393 ( 3837 PWs) bands (ev): -40.1106 -40.1106 -37.9434 -37.9434 -19.2201 -19.2201 -18.7492 -18.7492 -18.5460 -18.5460 -16.9966 -16.9966 -16.5437 -16.5437 -16.3971 -16.3971 -9.2706 -9.2706 -8.9056 -8.9056 0.1814 0.1814 0.4559 0.4559 3.3197 3.3197 3.9141 3.9141 4.6940 4.6940 4.9920 4.9920 5.3918 5.3918 5.8877 5.8877 5.9299 5.9299 6.7243 6.7243 8.1457 8.1457 8.8372 8.8372 9.3988 9.3988 9.5578 9.5578 11.4475 11.4475 11.8563 11.8563 12.6595 12.6595 12.9240 12.9240 13.6936 13.6936 k = 0.6161 0.0996-1.2071 ( 3836 PWs) bands (ev): -40.1118 -40.1118 -37.9444 -37.9444 -19.2133 -19.2133 -18.7465 -18.7465 -18.5450 -18.5450 -16.9932 -16.9932 -16.5407 -16.5407 -16.3955 -16.3955 -9.2707 -9.2707 -8.9184 -8.9184 0.1191 0.1191 0.4078 0.4078 3.3430 3.3430 3.8980 3.8980 4.7097 4.7097 4.9803 4.9803 5.4422 5.4422 5.9017 5.9017 6.0335 6.0335 6.7720 6.7720 8.1001 8.1001 8.8617 8.8617 9.4112 9.4112 9.5715 9.5715 11.4807 11.4807 11.8696 11.8696 12.6597 12.6597 12.9049 12.9049 13.6566 13.6566 k = 0.6131 0.0991-1.1750 ( 3839 PWs) bands (ev): -40.1130 -40.1130 -37.9455 -37.9455 -19.2064 -19.2064 -18.7436 -18.7436 -18.5439 -18.5439 -16.9897 -16.9897 -16.5376 -16.5376 -16.3938 -16.3938 -9.2722 -9.2722 -8.9304 -8.9304 0.0558 0.0558 0.3600 0.3600 3.3647 3.3647 3.8814 3.8814 4.7285 4.7285 4.9680 4.9680 5.4909 5.4909 5.9167 5.9167 6.1410 6.1410 6.8227 6.8227 8.0534 8.0534 8.8872 8.8872 9.4248 9.4248 9.5861 9.5861 11.5153 11.5153 11.8838 11.8838 12.6599 12.6599 12.8848 12.8848 13.6205 13.6205 k = 0.6102 0.0986-1.1428 ( 3838 PWs) bands (ev): -40.1143 -40.1143 -37.9465 -37.9465 -19.1994 -19.1994 -18.7404 -18.7404 -18.5426 -18.5426 -16.9863 -16.9863 -16.5343 -16.5343 -16.3920 -16.3920 -9.2753 -9.2753 -8.9411 -8.9411 -0.0083 -0.0083 0.3125 0.3125 3.3846 3.3846 3.8644 3.8644 4.7508 4.7508 4.9550 4.9550 5.5372 5.5372 5.9326 5.9326 6.2517 6.2517 6.8767 6.8767 8.0062 8.0062 8.9136 8.9136 9.4394 9.4394 9.6018 9.6018 11.5512 11.5512 11.8991 11.8991 12.6600 12.6600 12.8635 12.8635 13.5854 13.5854 k = 0.6072 0.0982-1.1106 ( 3836 PWs) bands (ev): -40.1156 -40.1156 -37.9477 -37.9477 -19.1924 -19.1924 -18.7369 -18.7369 -18.5412 -18.5412 -16.9828 -16.9828 -16.5308 -16.5308 -16.3900 -16.3900 -9.2803 -9.2803 -8.9504 -8.9504 -0.0727 -0.0727 0.2654 0.2654 3.4024 3.4024 3.8474 3.8474 4.7768 4.7768 4.9413 4.9413 5.5804 5.5804 5.9494 5.9494 6.3648 6.3648 6.9342 6.9342 7.9593 7.9593 8.9408 8.9408 9.4546 9.4546 9.6184 9.6184 11.5880 11.5880 11.9157 11.9157 12.6601 12.6601 12.8412 12.8412 13.5514 13.5514 k = 0.6042 0.0977-1.0785 ( 3828 PWs) bands (ev): -40.1169 -40.1169 -37.9488 -37.9488 -19.1855 -19.1855 -18.7332 -18.7332 -18.5397 -18.5397 -16.9793 -16.9793 -16.5272 -16.5272 -16.3878 -16.3878 -9.2874 -9.2874 -8.9580 -8.9580 -0.1372 -0.1372 0.2186 0.2186 3.4180 3.4180 3.8305 3.8305 4.8067 4.8067 4.9271 4.9271 5.6199 5.6199 5.9672 5.9672 6.4797 6.4797 6.9957 6.9957 7.9134 7.9134 8.9686 8.9686 9.4704 9.4704 9.6361 9.6361 11.6253 11.6253 11.9340 11.9340 12.6602 12.6602 12.8178 12.8178 13.5187 13.5187 k = 0.6012 0.0972-1.0463 ( 3829 PWs) bands (ev): -40.1183 -40.1183 -37.9500 -37.9500 -19.1786 -19.1786 -18.7292 -18.7292 -18.5379 -18.5379 -16.9758 -16.9758 -16.5236 -16.5236 -16.3856 -16.3856 -9.2968 -9.2968 -8.9636 -8.9636 -0.2015 -0.2015 0.1722 0.1722 3.4312 3.4312 3.8139 3.8139 4.8406 4.8406 4.9123 4.9123 5.6551 5.6551 5.9857 5.9857 6.5954 6.5954 7.0611 7.0611 7.8692 7.8692 8.9968 8.9968 9.4863 9.4863 9.6550 9.6550 11.6626 11.6626 11.9545 11.9545 12.6603 12.6603 12.7935 12.7935 13.4874 13.4874 k = 0.5982 0.0967-1.0141 ( 3815 PWs) bands (ev): -40.1197 -40.1197 -37.9512 -37.9512 -19.1719 -19.1719 -18.7249 -18.7249 -18.5360 -18.5360 -16.9724 -16.9724 -16.5198 -16.5198 -16.3831 -16.3831 -9.3085 -9.3085 -8.9672 -8.9672 -0.2653 -0.2653 0.1264 0.1264 3.4419 3.4419 3.7981 3.7981 4.8781 4.8781 4.8974 4.8974 5.6854 5.6854 6.0051 6.0051 6.7111 6.7111 7.1305 7.1305 7.8281 7.8281 9.0253 9.0253 9.5023 9.5023 9.6752 9.6752 11.6989 11.6989 11.9780 11.9780 12.6604 12.6604 12.7682 12.7682 13.4576 13.4576 k = 0.5953 0.0962-0.9820 ( 3813 PWs) bands (ev): -40.1212 -40.1212 -37.9524 -37.9524 -19.1653 -19.1653 -18.7203 -18.7203 -18.5340 -18.5340 -16.9691 -16.9691 -16.5159 -16.5159 -16.3805 -16.3805 -9.3225 -9.3225 -8.9689 -8.9689 -0.3284 -0.3284 0.0811 0.0811 3.4500 3.4500 3.7834 3.7834 4.8809 4.8809 4.9206 4.9206 5.7104 5.7104 6.0252 6.0252 6.8256 6.8256 7.2031 7.2031 7.7919 7.7919 9.0539 9.0539 9.5180 9.5180 9.6967 9.6967 11.7336 11.7336 12.0053 12.0053 12.6604 12.6604 12.7421 12.7421 13.4294 13.4294 k = 0.5923 0.0957-0.9498 ( 3813 PWs) bands (ev): -40.1226 -40.1226 -37.9536 -37.9536 -19.1590 -19.1590 -18.7155 -18.7155 -18.5317 -18.5317 -16.9659 -16.9659 -16.5120 -16.5120 -16.3777 -16.3777 -9.3385 -9.3385 -8.9686 -8.9686 -0.3907 -0.3907 0.0364 0.0364 3.4552 3.4552 3.7702 3.7702 4.8648 4.8648 4.9658 4.9658 5.7298 5.7298 6.0460 6.0460 6.9379 6.9379 7.2769 7.2769 7.7636 7.7636 9.0824 9.0824 9.5333 9.5333 9.7196 9.7196 11.7656 11.7656 12.0371 12.0371 12.6603 12.6603 12.7154 12.7154 13.4030 13.4030 k = 0.5893 0.0953-0.9176 ( 3805 PWs) bands (ev): -40.1241 -40.1241 -37.9549 -37.9549 -19.1529 -19.1529 -18.7104 -18.7104 -18.5293 -18.5293 -16.9627 -16.9627 -16.5080 -16.5080 -16.3748 -16.3748 -9.3563 -9.3563 -8.9667 -8.9667 -0.4520 -0.4520 -0.0075 -0.0075 3.4576 3.4576 3.7589 3.7589 4.8484 4.8484 5.0147 5.0147 5.7433 5.7433 6.0674 6.0674 7.0472 7.0472 7.3467 7.3467 7.7493 7.7493 9.1105 9.1105 9.5479 9.5479 9.7441 9.7441 11.7943 11.7943 12.0739 12.0739 12.6593 12.6593 12.6888 12.6888 13.3784 13.3784 k = 0.5863 0.0948-0.8854 ( 3809 PWs) bands (ev): -40.1256 -40.1256 -37.9561 -37.9561 -19.1471 -19.1471 -18.7051 -18.7051 -18.5266 -18.5266 -16.9597 -16.9597 -16.5040 -16.5040 -16.3717 -16.3717 -9.3757 -9.3757 -8.9634 -8.9634 -0.5121 -0.5121 -0.0507 -0.0507 3.4569 3.4569 3.7499 3.7499 4.8316 4.8316 5.0667 5.0667 5.7507 5.7507 6.0893 6.0893 7.1529 7.1529 7.4026 7.4026 7.7593 7.7593 9.1382 9.1382 9.5618 9.5618 9.7703 9.7703 11.8195 11.8195 12.1158 12.1158 12.6512 12.6512 12.6687 12.6687 13.3557 13.3557 k = 0.5834 0.0943-0.8533 ( 3811 PWs) bands (ev): -40.1270 -40.1270 -37.9574 -37.9574 -19.1417 -19.1417 -18.6996 -18.6996 -18.5238 -18.5238 -16.9567 -16.9567 -16.5000 -16.5000 -16.3685 -16.3685 -9.3964 -9.3964 -8.9588 -8.9588 -0.5711 -0.5711 -0.0931 -0.0931 3.4532 3.4532 3.7435 3.7435 4.8146 4.8146 5.1216 5.1216 5.7521 5.7521 6.1118 6.1118 7.2549 7.2549 7.4336 7.4336 7.8042 7.8042 9.1652 9.1652 9.5747 9.5747 9.7981 9.7981 11.8413 11.8413 12.1624 12.1624 12.6264 12.6264 12.6647 12.6647 13.3351 13.3351 k = 0.5804 0.0938-0.8211 ( 3814 PWs) bands (ev): -40.1285 -40.1285 -37.9587 -37.9587 -19.1365 -19.1365 -18.6939 -18.6939 -18.5207 -18.5207 -16.9539 -16.9539 -16.4960 -16.4960 -16.3651 -16.3651 -9.4181 -9.4181 -8.9532 -8.9532 -0.6286 -0.6286 -0.1345 -0.1345 3.4466 3.4466 3.7401 3.7401 4.7975 4.7975 5.1790 5.1790 5.7476 5.7476 6.1347 6.1347 7.3527 7.3527 7.4407 7.4407 7.8833 7.8833 9.1912 9.1912 9.5865 9.5865 9.8279 9.8279 11.8600 11.8600 12.2132 12.2132 12.5974 12.5974 12.6643 12.6643 13.3166 13.3166 k = 0.5774 0.0933-0.7889 ( 3810 PWs) bands (ev): -40.1300 -40.1300 -37.9599 -37.9599 -19.1317 -19.1317 -18.6881 -18.6881 -18.5174 -18.5174 -16.9513 -16.9513 -16.4920 -16.4920 -16.3615 -16.3615 -9.4407 -9.4407 -8.9467 -8.9467 -0.6847 -0.6847 -0.1749 -0.1749 3.4372 3.4372 3.7397 3.7397 4.7804 4.7804 5.2385 5.2385 5.7376 5.7376 6.1579 6.1579 7.4221 7.4221 7.4585 7.4585 7.9859 7.9859 9.2163 9.2163 9.5972 9.5972 9.8595 9.8595 11.8762 11.8762 12.2673 12.2673 12.5675 12.5675 12.6644 12.6644 13.3003 13.3003 k = 0.5744 0.0929-0.7568 ( 3808 PWs) bands (ev): -40.1315 -40.1315 -37.9612 -37.9612 -19.1273 -19.1273 -18.6821 -18.6821 -18.5139 -18.5139 -16.9487 -16.9487 -16.4881 -16.4881 -16.3578 -16.3578 -9.4638 -9.4638 -8.9396 -8.9396 -0.7392 -0.7392 -0.2143 -0.2143 3.4255 3.4255 3.7422 3.7422 4.7632 4.7632 5.2994 5.2994 5.7225 5.7225 6.1814 6.1814 7.4107 7.4107 7.5477 7.5477 8.1027 8.1027 9.2401 9.2401 9.6066 9.6066 9.8930 9.8930 11.8903 11.8903 12.3238 12.3238 12.5372 12.5372 12.6647 12.6647 13.2863 13.2863 k = 0.5714 0.0924-0.7246 ( 3814 PWs) bands (ev): -40.1329 -40.1329 -37.9624 -37.9624 -19.1232 -19.1232 -18.6760 -18.6760 -18.5101 -18.5101 -16.9463 -16.9463 -16.4842 -16.4842 -16.3540 -16.3540 -9.4873 -9.4873 -8.9319 -8.9319 -0.7921 -0.7921 -0.2526 -0.2526 3.4117 3.4117 3.7476 3.7476 4.7460 4.7460 5.3608 5.3608 5.7034 5.7034 6.2050 6.2050 7.3919 7.3919 7.6401 7.6401 8.2282 8.2282 9.2626 9.2626 9.6146 9.6146 9.9284 9.9284 11.9028 11.9028 12.3820 12.3820 12.5065 12.5065 12.6650 12.6650 13.2746 13.2746 k = 0.5685 0.0919-0.6924 ( 3815 PWs) bands (ev): -40.1343 -40.1343 -37.9636 -37.9636 -19.1194 -19.1194 -18.6700 -18.6700 -18.5062 -18.5062 -16.9441 -16.9441 -16.4805 -16.4805 -16.3501 -16.3501 -9.5109 -9.5109 -8.9239 -8.9239 -0.8433 -0.8433 -0.2897 -0.2897 3.3964 3.3964 3.7556 3.7556 4.7290 4.7290 5.4209 5.4209 5.6820 5.6820 6.2288 6.2288 7.3720 7.3720 7.7317 7.7317 8.3591 8.3591 9.2838 9.2838 9.6212 9.6212 9.9656 9.9656 11.9139 11.9139 12.4408 12.4408 12.4757 12.4757 12.6653 12.6653 13.2653 13.2653 k = 0.5655 0.0914-0.6603 ( 3808 PWs) bands (ev): -40.1357 -40.1357 -37.9648 -37.9648 -19.1160 -19.1160 -18.6639 -18.6639 -18.5019 -18.5019 -16.9420 -16.9420 -16.4768 -16.4768 -16.3460 -16.3460 -9.5346 -9.5346 -8.9157 -8.9157 -0.8927 -0.8927 -0.3256 -0.3256 3.3799 3.3799 3.7662 3.7662 4.7123 4.7123 5.4751 5.4751 5.6631 5.6631 6.2526 6.2526 7.3523 7.3523 7.8224 7.8224 8.4937 8.4937 9.3035 9.3035 9.6263 9.6263 10.0045 10.0045 11.9240 11.9240 12.4449 12.4449 12.4995 12.4995 12.6658 12.6658 13.2583 13.2583 k = 0.5625 0.0909-0.6281 ( 3804 PWs) bands (ev): -40.1371 -40.1371 -37.9660 -37.9660 -19.1130 -19.1130 -18.6579 -18.6579 -18.4975 -18.4975 -16.9400 -16.9400 -16.4732 -16.4732 -16.3419 -16.3419 -9.5581 -9.5581 -8.9072 -8.9072 -0.9403 -0.9403 -0.3603 -0.3603 3.3626 3.3626 3.7791 3.7791 4.6958 4.6958 5.5104 5.5104 5.6598 5.6598 6.2762 6.2762 7.3333 7.3333 7.9120 7.9120 8.6304 8.6304 9.3218 9.3218 9.6301 9.6301 10.0451 10.0451 11.9331 11.9331 12.4143 12.4143 12.5568 12.5568 12.6666 12.6666 13.2537 13.2537 k = 0.5595 0.0905-0.5959 ( 3807 PWs) bands (ev): -40.1385 -40.1385 -37.9671 -37.9671 -19.1103 -19.1103 -18.6521 -18.6521 -18.4929 -18.4929 -16.9382 -16.9382 -16.4698 -16.4698 -16.3377 -16.3377 -9.5814 -9.5814 -8.8988 -8.8988 -0.9860 -0.9860 -0.3936 -0.3936 3.3448 3.3448 3.7942 3.7942 4.6796 4.6796 5.5099 5.5099 5.6892 5.6892 6.2997 6.2997 7.3152 7.3152 8.0006 8.0006 8.7681 8.7681 9.3387 9.3387 9.6326 9.6326 10.0871 10.0871 11.9415 11.9415 12.3839 12.3839 12.6103 12.6103 12.6692 12.6692 13.2515 13.2515 k = 0.5566 0.0900-0.5637 ( 3807 PWs) bands (ev): -40.1398 -40.1398 -37.9682 -37.9682 -19.1078 -19.1078 -18.6464 -18.6464 -18.4881 -18.4881 -16.9365 -16.9365 -16.4665 -16.4665 -16.3334 -16.3334 -9.6043 -9.6043 -8.8903 -8.8903 -1.0298 -1.0298 -0.4256 -0.4256 3.3268 3.3268 3.8115 3.8115 4.6638 4.6638 5.4827 5.4827 5.7421 5.7421 6.3230 6.3230 7.2982 7.2982 8.0880 8.0880 8.9061 8.9061 9.3541 9.3541 9.6339 9.6339 10.1304 10.1304 11.9493 11.9493 12.3539 12.3539 12.6481 12.6481 12.6850 12.6850 13.2515 13.2515 k = 0.5536 0.0895-0.5316 ( 3809 PWs) bands (ev): -40.1410 -40.1410 -37.9693 -37.9693 -19.1057 -19.1057 -18.6409 -18.6409 -18.4831 -18.4831 -16.9350 -16.9350 -16.4633 -16.4633 -16.3291 -16.3291 -9.6267 -9.6267 -8.8819 -8.8819 -1.0716 -1.0716 -0.4561 -0.4561 3.3088 3.3088 3.8309 3.8309 4.6484 4.6484 5.4439 5.4439 5.8038 5.8038 6.3458 6.3458 7.2822 7.2822 8.1739 8.1739 9.0432 9.0432 9.3682 9.3682 9.6344 9.6344 10.1747 10.1747 11.9565 11.9565 12.3245 12.3245 12.6565 12.6565 12.7265 12.7265 13.2535 13.2535 k = 0.5506 0.0890-0.4994 ( 3812 PWs) bands (ev): -40.1423 -40.1423 -37.9704 -37.9704 -19.1039 -19.1039 -18.6356 -18.6356 -18.4780 -18.4780 -16.9336 -16.9336 -16.4604 -16.4604 -16.3249 -16.3249 -9.6485 -9.6485 -8.8737 -8.8737 -1.1113 -1.1113 -0.4852 -0.4852 3.2911 3.2911 3.8522 3.8522 4.6335 4.6335 5.3993 5.3993 5.8683 5.8683 6.3682 6.3682 7.2672 7.2672 8.2581 8.2581 9.1780 9.1780 9.3810 9.3810 9.6350 9.6350 10.2198 10.2198 11.9633 11.9633 12.2958 12.2958 12.6574 12.6574 12.7713 12.7713 13.2573 13.2573 k = 0.5476 0.0885-0.4672 ( 3811 PWs) bands (ev): -40.1434 -40.1434 -37.9714 -37.9714 -19.1023 -19.1023 -18.6306 -18.6306 -18.4728 -18.4728 -16.9323 -16.9323 -16.4575 -16.4575 -16.3207 -16.3207 -9.6695 -9.6695 -8.8657 -8.8657 -1.1490 -1.1490 -0.5129 -0.5129 3.2737 3.2737 3.8754 3.8754 4.6192 4.6192 5.3511 5.3511 5.9335 5.9335 6.3900 6.3900 7.2531 7.2531 8.3403 8.3403 9.3081 9.3081 9.3926 9.3926 9.6377 9.6377 10.2653 10.2653 11.9696 11.9696 12.2679 12.2679 12.6568 12.6568 12.8127 12.8127 13.2624 13.2624 k = 0.5447 0.0880-0.4351 ( 3807 PWs) bands (ev): -40.1446 -40.1446 -37.9723 -37.9723 -19.1009 -19.1009 -18.6259 -18.6259 -18.4676 -18.4676 -16.9311 -16.9311 -16.4549 -16.4549 -16.3165 -16.3165 -9.6898 -9.6898 -8.8579 -8.8579 -1.1846 -1.1846 -0.5390 -0.5390 3.2568 3.2568 3.9007 3.9007 4.6055 4.6055 5.3004 5.3004 5.9984 5.9984 6.4111 6.4111 7.2399 7.2399 8.4203 8.4203 9.4030 9.4030 9.4264 9.4264 9.6489 9.6489 10.3110 10.3110 11.9756 11.9756 12.2410 12.2410 12.6555 12.6555 12.8496 12.8496 13.2683 13.2683 k = 0.5417 0.0876-0.4029 ( 3804 PWs) bands (ev): -40.1456 -40.1456 -37.9732 -37.9732 -19.0997 -19.0997 -18.6215 -18.6215 -18.4623 -18.4623 -16.9301 -16.9301 -16.4523 -16.4523 -16.3124 -16.3124 -9.7091 -9.7091 -8.8504 -8.8504 -1.2180 -1.2180 -0.5636 -0.5636 3.2406 3.2406 3.9278 3.9278 4.5924 4.5924 5.2479 5.2479 6.0621 6.0621 6.4315 6.4315 7.2275 7.2275 8.4977 8.4977 9.4124 9.4124 9.5124 9.5124 9.6886 9.6886 10.3566 10.3566 11.9812 11.9812 12.2153 12.2153 12.6538 12.6538 12.8815 12.8815 13.2743 13.2743 k = 0.5387 0.0871-0.3707 ( 3810 PWs) bands (ev): -40.1467 -40.1467 -37.9741 -37.9741 -19.0987 -19.0987 -18.6174 -18.6174 -18.4571 -18.4571 -16.9291 -16.9291 -16.4500 -16.4500 -16.3085 -16.3085 -9.7275 -9.7275 -8.8433 -8.8433 -1.2493 -1.2493 -0.5866 -0.5866 3.2252 3.2252 3.9568 3.9568 4.5800 4.5800 5.1941 5.1941 6.1242 6.1242 6.4510 6.4510 7.2160 7.2160 8.5722 8.5722 9.4207 9.4207 9.5470 9.5470 9.7756 9.7756 10.4016 10.4016 11.9865 11.9865 12.1908 12.1908 12.6518 12.6518 12.9083 12.9083 13.2798 13.2798 k = 0.5357 0.0866-0.3386 ( 3817 PWs) bands (ev): -40.1476 -40.1476 -37.9749 -37.9749 -19.0979 -19.0979 -18.6137 -18.6137 -18.4521 -18.4521 -16.9283 -16.9283 -16.4479 -16.4479 -16.3048 -16.3048 -9.7448 -9.7448 -8.8366 -8.8366 -1.2783 -1.2783 -0.6080 -0.6080 3.2106 3.2106 3.9875 3.9875 4.5683 4.5683 5.1393 5.1393 6.1841 6.1841 6.4695 6.4695 7.2052 7.2052 8.6434 8.6434 9.4281 9.4281 9.5531 9.5531 9.8863 9.8863 10.4458 10.4458 11.9915 11.9915 12.1676 12.1676 12.6496 12.6496 12.9305 12.9305 13.2840 13.2840 k = 0.5327 0.0861-0.3064 ( 3813 PWs) bands (ev): -40.1485 -40.1485 -37.9757 -37.9757 -19.0972 -19.0972 -18.6102 -18.6102 -18.4471 -18.4471 -16.9275 -16.9275 -16.4459 -16.4459 -16.3012 -16.3012 -9.7610 -9.7610 -8.8303 -8.8303 -1.3052 -1.3052 -0.6277 -0.6277 3.1969 3.1969 4.0202 4.0202 4.5575 4.5575 5.0838 5.0838 6.2413 6.2413 6.4870 6.4870 7.1952 7.1952 8.7110 8.7110 9.4347 9.4347 9.5495 9.5495 10.0014 10.0014 10.4887 10.4887 11.9963 11.9963 12.1460 12.1460 12.6472 12.6472 12.9482 12.9482 13.2868 13.2868 k = 0.5298 0.0856-0.2742 ( 3817 PWs) bands (ev): -40.1493 -40.1493 -37.9764 -37.9764 -19.0967 -19.0967 -18.6071 -18.6071 -18.4424 -18.4424 -16.9269 -16.9269 -16.4441 -16.4441 -16.2978 -16.2978 -9.7760 -9.7760 -8.8244 -8.8244 -1.3297 -1.3297 -0.6459 -0.6459 3.1842 3.1842 4.0545 4.0545 4.5474 4.5474 5.0279 5.0279 6.2955 6.2955 6.5034 6.5034 7.1859 7.1859 8.7746 8.7746 9.4404 9.4404 9.5419 9.5419 10.1145 10.1145 10.5300 10.5300 12.0009 12.0009 12.1260 12.1260 12.6446 12.6446 12.9617 12.9617 13.2879 13.2879 k = 0.5268 0.0852-0.2420 ( 3817 PWs) bands (ev): -40.1501 -40.1501 -37.9770 -37.9770 -19.0962 -19.0962 -18.6043 -18.6043 -18.4380 -18.4380 -16.9263 -16.9263 -16.4424 -16.4424 -16.2947 -16.2947 -9.7897 -9.7897 -8.8190 -8.8190 -1.3520 -1.3520 -0.6623 -0.6623 3.1725 3.1725 4.0906 4.0906 4.5382 4.5382 4.9719 4.9719 6.3461 6.3461 6.5186 6.5186 7.1775 7.1775 8.8339 8.8339 9.4454 9.4454 9.5325 9.5325 10.2229 10.2229 10.5692 10.5692 12.0053 12.0053 12.1078 12.1078 12.6420 12.6420 12.9716 12.9716 13.2875 13.2875 k = 0.5238 0.0847-0.2099 ( 3811 PWs) bands (ev): -40.1507 -40.1507 -37.9776 -37.9776 -19.0959 -19.0959 -18.6018 -18.6018 -18.4338 -18.4338 -16.9258 -16.9258 -16.4410 -16.4410 -16.2918 -16.2918 -9.8021 -9.8021 -8.8141 -8.8141 -1.3720 -1.3720 -0.6771 -0.6771 3.1620 3.1620 4.1284 4.1284 4.5299 4.5299 4.9159 4.9159 6.3927 6.3927 6.5325 6.5325 7.1698 7.1698 8.8884 8.8884 9.4498 9.4498 9.5221 9.5221 10.3249 10.3249 10.6058 10.6058 12.0094 12.0094 12.0913 12.0913 12.6394 12.6394 12.9780 12.9780 13.2860 13.2860 k = 0.5208 0.0842-0.1777 ( 3812 PWs) bands (ev): -40.1513 -40.1513 -37.9781 -37.9781 -19.0956 -19.0956 -18.5996 -18.5996 -18.4301 -18.4301 -16.9253 -16.9253 -16.4397 -16.4397 -16.2892 -16.2892 -9.8132 -9.8132 -8.8098 -8.8098 -1.3897 -1.3897 -0.6902 -0.6902 3.1526 3.1526 4.1679 4.1679 4.5224 4.5224 4.8601 4.8601 6.4349 6.4349 6.5452 6.5452 7.1630 7.1630 8.9378 8.9378 9.4535 9.4535 9.5115 9.5115 10.4191 10.4191 10.6395 10.6395 12.0133 12.0133 12.0767 12.0767 12.6368 12.6368 12.9813 12.9813 13.2837 13.2837 k = 0.5179 0.0837-0.1455 ( 3808 PWs) bands (ev): -40.1519 -40.1519 -37.9785 -37.9785 -19.0953 -19.0953 -18.5977 -18.5977 -18.4267 -18.4267 -16.9250 -16.9250 -16.4385 -16.4385 -16.2869 -16.2869 -9.8229 -9.8229 -8.8060 -8.8060 -1.4051 -1.4051 -0.7016 -0.7016 3.1444 3.1444 4.2089 4.2089 4.5160 4.5160 4.8046 4.8046 6.4721 6.4721 6.5566 6.5566 7.1571 7.1571 8.9818 8.9818 9.4566 9.4566 9.5011 9.5011 10.5041 10.5041 10.6699 10.6699 12.0170 12.0170 12.0640 12.0640 12.6344 12.6344 12.9821 12.9821 13.2811 13.2811 k = 0.5149 0.0832-0.1134 ( 3812 PWs) bands (ev): -40.1523 -40.1523 -37.9789 -37.9789 -19.0952 -19.0952 -18.5961 -18.5961 -18.4238 -18.4238 -16.9247 -16.9247 -16.4376 -16.4376 -16.2850 -16.2850 -9.8312 -9.8312 -8.8027 -8.8027 -1.4181 -1.4181 -0.7112 -0.7112 3.1373 3.1373 4.2514 4.2514 4.5105 4.5105 4.7497 4.7497 6.5038 6.5038 6.5668 6.5668 7.1520 7.1520 9.0198 9.0198 9.4592 9.4592 9.4913 9.4913 10.5788 10.5788 10.6964 10.6964 12.0203 12.0203 12.0533 12.0533 12.6323 12.6323 12.9808 12.9808 13.2786 13.2786 k = 0.5119 0.0828-0.0812 ( 3810 PWs) bands (ev): -40.1527 -40.1527 -37.9792 -37.9792 -19.0951 -19.0951 -18.5948 -18.5948 -18.4214 -18.4214 -16.9244 -16.9244 -16.4368 -16.4368 -16.2833 -16.2833 -9.8380 -9.8380 -8.8000 -8.8000 -1.4288 -1.4288 -0.7191 -0.7191 3.1316 3.1316 4.2955 4.2955 4.5060 4.5060 4.6955 4.6955 6.5294 6.5294 6.5761 6.5761 7.1478 7.1478 9.0517 9.0517 9.4612 9.4612 9.4826 9.4826 10.6419 10.6419 10.7188 10.7188 12.0232 12.0232 12.0446 12.0446 12.6304 12.6304 12.9782 12.9782 13.2765 13.2765 k = 0.5089 0.0823-0.0490 ( 3800 PWs) bands (ev): -40.1530 -40.1530 -37.9795 -37.9795 -19.0950 -19.0950 -18.5938 -18.5938 -18.4195 -18.4195 -16.9242 -16.9242 -16.4362 -16.4362 -16.2820 -16.2820 -9.8434 -9.8434 -8.7979 -8.7979 -1.4371 -1.4371 -0.7252 -0.7252 3.1271 3.1271 4.3410 4.3410 4.5025 4.5025 4.6421 4.6421 6.5484 6.5484 6.5846 6.5846 7.1446 7.1446 9.0770 9.0770 9.4628 9.4628 9.4753 9.4753 10.6922 10.6922 10.7368 10.7368 12.0257 12.0257 12.0378 12.0378 12.6289 12.6289 12.9750 12.9750 13.2748 13.2748 k = 0.5060 0.0818-0.0169 ( 3798 PWs) bands (ev): -40.1532 -40.1532 -37.9797 -37.9797 -19.0949 -19.0949 -18.5931 -18.5931 -18.4181 -18.4181 -16.9241 -16.9241 -16.4358 -16.4358 -16.2811 -16.2811 -9.8472 -9.8472 -8.7964 -8.7964 -1.4430 -1.4430 -0.7296 -0.7296 3.1238 3.1238 4.3877 4.3877 4.5000 4.5000 4.5897 4.5897 6.5608 6.5608 6.5921 6.5921 7.1422 7.1422 9.0954 9.0954 9.4638 9.4638 9.4698 9.4698 10.7284 10.7284 10.7503 10.7503 12.0275 12.0275 12.0329 12.0329 12.6278 12.6278 12.9720 12.9720 13.2736 13.2736 k = 0.5030 0.0813 0.0153 ( 3799 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0949 -19.0949 -18.5927 -18.5927 -18.4172 -18.4172 -16.9240 -16.9240 -16.4355 -16.4355 -16.2805 -16.2805 -9.8495 -9.8495 -8.7955 -8.7955 -1.4466 -1.4466 -0.7323 -0.7323 3.1219 3.1219 4.4352 4.4352 4.4981 4.4981 4.5391 4.5391 6.5674 6.5674 6.5975 6.5975 7.1408 7.1408 9.1066 9.1066 9.4640 9.4640 9.4668 9.4668 10.7489 10.7489 10.7601 10.7601 12.0286 12.0286 12.0301 12.0301 12.6271 12.6271 12.9699 12.9699 13.2730 13.2756 k = 0.5000 0.0808 0.0475 ( 3800 PWs) bands (ev): -40.1533 -40.1533 -37.9798 -37.9798 -19.0949 -19.0949 -18.5925 -18.5925 -18.4169 -18.4169 -16.9240 -16.9240 -16.4354 -16.4354 -16.2803 -16.2803 -9.8502 -9.8502 -8.7952 -8.7952 -1.4478 -1.4478 -0.7332 -0.7332 3.1212 3.1212 4.4746 4.4746 4.4910 4.4910 4.5051 4.5051 6.5694 6.5694 6.5995 6.5995 7.1403 7.1403 9.1104 9.1104 9.4637 9.4637 9.4662 9.4662 10.7545 10.7545 10.7646 10.7646 12.0288 12.0288 12.0294 12.0294 12.6269 12.6269 12.9692 12.9692 13.2722 13.2732 k = 0.5000-1.5061-0.8847 ( 3814 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2828 -19.2828 -18.7677 -18.7677 -18.5513 -18.5513 -17.0281 -17.0281 -16.5674 -16.5674 -16.4080 -16.4080 -9.3038 -9.3038 -8.7635 -8.7635 0.7334 0.7334 1.0355 1.0355 3.0370 3.0370 3.8803 3.8803 4.5964 4.5964 4.7462 4.7462 5.0783 5.0783 5.7817 5.7817 5.7823 5.7823 5.8269 5.8269 8.5522 8.5522 8.6439 8.6439 9.3893 9.3893 9.4424 9.4424 11.2590 11.2590 11.6578 11.6578 12.6364 12.6364 13.0740 13.0740 14.1958 14.1958 k = 0.5298-1.4987-0.8804 ( 3832 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2828 -19.2828 -18.7677 -18.7677 -18.5513 -18.5513 -17.0281 -17.0281 -16.5675 -16.5675 -16.4080 -16.4080 -9.3039 -9.3039 -8.7635 -8.7635 0.7332 0.7332 1.0356 1.0356 3.0365 3.0365 3.8818 3.8818 4.5963 4.5963 4.7463 4.7463 5.0782 5.0782 5.7427 5.7427 5.7852 5.7852 5.8625 5.8625 8.5516 8.5516 8.6438 8.6438 9.3893 9.3893 9.4425 9.4425 11.2575 11.2575 11.6592 11.6592 12.6365 12.6365 13.0740 13.0740 14.1962 14.1962 k = 0.5595-1.4914-0.8760 ( 3834 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2828 -19.2828 -18.7677 -18.7677 -18.5513 -18.5513 -17.0281 -17.0281 -16.5675 -16.5675 -16.4080 -16.4080 -9.3039 -9.3039 -8.7635 -8.7635 0.7330 0.7330 1.0356 1.0356 3.0354 3.0354 3.8862 3.8862 4.5960 4.5960 4.7466 4.7466 5.0782 5.0782 5.6899 5.6899 5.7854 5.7854 5.9140 5.9140 8.5498 8.5498 8.6435 8.6435 9.3893 9.3893 9.4429 9.4429 11.2533 11.2533 11.6633 11.6633 12.6371 12.6371 13.0739 13.0739 14.1972 14.1972 k = 0.5893-1.4840-0.8717 ( 3833 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2828 -19.2828 -18.7677 -18.7677 -18.5513 -18.5513 -17.0281 -17.0281 -16.5674 -16.5674 -16.4080 -16.4080 -9.3039 -9.3039 -8.7636 -8.7636 0.7327 0.7327 1.0357 1.0357 3.0336 3.0336 3.8935 3.8935 4.5952 4.5952 4.7474 4.7474 5.0781 5.0781 5.6358 5.6358 5.7856 5.7856 5.9659 5.9659 8.5469 8.5469 8.6431 8.6431 9.3892 9.3892 9.4434 9.4434 11.2468 11.2468 11.6698 11.6698 12.6379 12.6379 13.0737 13.0737 14.1989 14.1989 k = 0.6191-1.4767-0.8674 ( 3831 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2828 -19.2828 -18.7677 -18.7677 -18.5513 -18.5513 -17.0281 -17.0281 -16.5674 -16.5674 -16.4080 -16.4080 -9.3039 -9.3039 -8.7636 -8.7636 0.7323 0.7323 1.0358 1.0358 3.0311 3.0311 3.9034 3.9034 4.5938 4.5938 4.7488 4.7488 5.0780 5.0780 5.5821 5.5821 5.7857 5.7857 6.0166 6.0166 8.5430 8.5430 8.6425 8.6425 9.3892 9.3892 9.4441 9.4441 11.2382 11.2382 11.6783 11.6783 12.6391 12.6391 13.0736 13.0736 14.2013 14.2013 k = 0.6489-1.4693-0.8631 ( 3827 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2828 -19.2828 -18.7677 -18.7677 -18.5513 -18.5513 -17.0281 -17.0281 -16.5674 -16.5674 -16.4080 -16.4080 -9.3038 -9.3038 -8.7636 -8.7636 0.7317 0.7317 1.0359 1.0359 3.0282 3.0282 3.9157 3.9157 4.5914 4.5914 4.7510 4.7510 5.0779 5.0779 5.5294 5.5294 5.7860 5.7860 6.0656 6.0656 8.5382 8.5382 8.6418 8.6418 9.3891 9.3891 9.4449 9.4449 11.2282 11.2282 11.6883 11.6883 12.6405 12.6405 13.0733 13.0733 14.2044 14.2044 k = 0.6786-1.4620-0.8588 ( 3827 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2827 -19.2827 -18.7677 -18.7677 -18.5513 -18.5513 -17.0281 -17.0281 -16.5674 -16.5674 -16.4080 -16.4080 -9.3038 -9.3038 -8.7637 -8.7637 0.7311 0.7311 1.0360 1.0360 3.0249 3.0249 3.9302 3.9302 4.5878 4.5878 4.7543 4.7543 5.0778 5.0778 5.4781 5.4781 5.7862 5.7862 6.1123 6.1123 8.5326 8.5326 8.6410 8.6410 9.3891 9.3891 9.4459 9.4459 11.2172 11.2172 11.6992 11.6992 12.6421 12.6421 13.0730 13.0730 14.2083 14.2083 k = 0.7084-1.4546-0.8545 ( 3836 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2827 -19.2827 -18.7677 -18.7677 -18.5513 -18.5513 -17.0281 -17.0281 -16.5674 -16.5674 -16.4080 -16.4080 -9.3038 -9.3038 -8.7637 -8.7637 0.7304 0.7304 1.0360 1.0360 3.0214 3.0214 3.9465 3.9465 4.5827 4.5827 4.7588 4.7588 5.0776 5.0776 5.4289 5.4289 5.7865 5.7865 6.1564 6.1564 8.5265 8.5265 8.6401 8.6401 9.3889 9.3889 9.4469 9.4469 11.2056 11.2056 11.7106 11.7106 12.6439 12.6439 13.0727 13.0727 14.2128 14.2128 k = 0.7382-1.4473-0.8501 ( 3841 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2827 -19.2827 -18.7677 -18.7677 -18.5513 -18.5513 -17.0281 -17.0281 -16.5674 -16.5674 -16.4080 -16.4080 -9.3038 -9.3038 -8.7638 -8.7638 0.7296 0.7296 1.0360 1.0360 3.0179 3.0179 3.9642 3.9642 4.5761 4.5761 4.7645 4.7645 5.0774 5.0774 5.3823 5.3823 5.7867 5.7867 6.1973 6.1973 8.5200 8.5200 8.6393 8.6393 9.3888 9.3888 9.4480 9.4480 11.1941 11.1941 11.7220 11.7220 12.6457 12.6457 13.0724 13.0724 14.2179 14.2179 k = 0.7679-1.4399-0.8458 ( 3843 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2827 -19.2827 -18.7677 -18.7677 -18.5513 -18.5513 -17.0281 -17.0281 -16.5674 -16.5674 -16.4080 -16.4080 -9.3038 -9.3038 -8.7639 -8.7639 0.7288 0.7288 1.0359 1.0359 3.0145 3.0145 3.9828 3.9828 4.5680 4.5680 4.7712 4.7712 5.0772 5.0772 5.3389 5.3389 5.7870 5.7870 6.2348 6.2348 8.5136 8.5136 8.6384 8.6384 9.3886 9.3886 9.4490 9.4490 11.1829 11.1829 11.7331 11.7331 12.6476 12.6476 13.0721 13.0721 14.2232 14.2232 k = 0.7977-1.4326-0.8415 ( 3839 PWs) bands (ev): -40.1006 -40.1006 -37.9349 -37.9349 -19.2826 -19.2826 -18.7677 -18.7677 -18.5513 -18.5513 -17.0280 -17.0280 -16.5674 -16.5674 -16.4079 -16.4079 -9.3038 -9.3038 -8.7640 -8.7640 0.7280 0.7280 1.0358 1.0358 3.0113 3.0113 4.0019 4.0019 4.5586 4.5586 4.7784 4.7784 5.0770 5.0770 5.2996 5.2996 5.7873 5.7873 6.2683 6.2683 8.5072 8.5072 8.6377 8.6377 9.3883 9.3883 9.4501 9.4501 11.1724 11.1724 11.7436 11.7436 12.6494 12.6494 13.0717 13.0717 14.2283 14.2283 k = 0.8275-1.4252-0.8372 ( 3837 PWs) bands (ev): -40.1007 -40.1007 -37.9350 -37.9350 -19.2826 -19.2826 -18.7677 -18.7677 -18.5513 -18.5513 -17.0280 -17.0280 -16.5674 -16.5674 -16.4079 -16.4079 -9.3037 -9.3037 -8.7641 -8.7641 0.7272 0.7272 1.0355 1.0355 3.0085 3.0085 4.0208 4.0208 4.5484 4.5484 4.7854 4.7854 5.0768 5.0768 5.2651 5.2651 5.7876 5.7876 6.2976 6.2976 8.5013 8.5013 8.6370 8.6370 9.3880 9.3880 9.4510 9.4510 11.1629 11.1629 11.7531 11.7531 12.6511 12.6511 13.0714 13.0714 14.2321 14.2323 Writing output data file ScAlCO.save init_run : 1.61s CPU 1.11s WALL ( 1 calls) electrons : 1813.33s CPU 1399.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.28s CPU 0.25s WALL ( 1 calls) Called by electrons: c_bands : 1813.31s CPU 1399.26s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.06s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.10s CPU 0.05s WALL ( 1 calls) newd : 0.30s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.18s WALL ( 348 calls) cegterg : 1577.32s CPU 1244.06s WALL ( 1233 calls) Called by sum_band: Called by *egterg: h_psi : 1265.29s CPU 855.83s WALL ( 23113 calls) s_psi : 22.40s CPU 21.33s WALL ( 23113 calls) g_psi : 0.20s CPU 0.22s WALL ( 21532 calls) cdiaghg : 406.55s CPU 402.92s WALL ( 21880 calls) cegterg:over : 22.38s CPU 22.54s WALL ( 21532 calls) cegterg:upda : 12.20s CPU 12.70s WALL ( 21532 calls) cegterg:last : 4.98s CPU 5.20s WALL ( 2277 calls) cdiaghg:chol : 14.07s CPU 14.54s WALL ( 21880 calls) cdiaghg:inve : 8.02s CPU 7.83s WALL ( 21880 calls) cdiaghg:para : 26.41s CPU 26.46s WALL ( 43760 calls) Called by h_psi: h_psi:vloc : 1230.27s CPU 823.10s WALL ( 23113 calls) h_psi:vnl : 34.77s CPU 32.51s WALL ( 23113 calls) add_vuspsi : 17.78s CPU 16.35s WALL ( 23113 calls) General routines calbec : 16.91s CPU 16.09s WALL ( 23113 calls) fft : 0.17s CPU 0.12s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 1180.01s CPU 776.40s WALL ( 1565352 calls) interpolate : 0.06s CPU 0.04s WALL ( 4 calls) davcio : 0.31s CPU 0.63s WALL ( 696 calls) Parallel routines fft_scatter : 401.23s CPU 366.76s WALL ( 1565375 calls) PWSCF : 31m 5.61s CPU 25m16.74s WALL This run was terminated on: 1:52:36 21Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=