Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:28:37 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ga2Pt.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 21 6 1474 376 61 Max 53 22 7 1475 394 63 Sum 1879 757 223 53089 13803 2229 bravais-lattice index = 14 lattice parameter (alat) = 7.8985 a.u. unit-cell volume = 348.4331 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.898503 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 Pt 10.00 195.08400 Pt( 1.00) Ga 13.00 69.72300 Ga( 1.00) 12 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 = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 356 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0092593 -0.0053458 0.0075602), wk = 0.0028090 k( 3) = ( 0.0185185 -0.0106917 0.0151203), wk = 0.0028090 k( 4) = ( 0.0277778 -0.0160375 0.0226805), wk = 0.0028090 k( 5) = ( 0.0370370 -0.0213833 0.0302406), wk = 0.0028090 k( 6) = ( 0.0462963 -0.0267292 0.0378008), wk = 0.0028090 k( 7) = ( 0.0555556 -0.0320750 0.0453609), wk = 0.0028090 k( 8) = ( 0.0648148 -0.0374208 0.0529211), wk = 0.0028090 k( 9) = ( 0.0740741 -0.0427667 0.0604812), wk = 0.0028090 k( 10) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0028090 k( 11) = ( 0.0925926 -0.0534584 0.0756015), wk = 0.0028090 k( 12) = ( 0.1018518 -0.0588042 0.0831617), wk = 0.0028090 k( 13) = ( 0.1111111 -0.0641500 0.0907218), wk = 0.0028090 k( 14) = ( 0.1203704 -0.0694959 0.0982820), wk = 0.0028090 k( 15) = ( 0.1296296 -0.0748417 0.1058421), wk = 0.0028090 k( 16) = ( 0.1388889 -0.0801875 0.1134023), wk = 0.0028090 k( 17) = ( 0.1481482 -0.0855334 0.1209625), wk = 0.0028090 k( 18) = ( 0.1574074 -0.0908792 0.1285226), wk = 0.0028090 k( 19) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0028090 k( 20) = ( 0.1759259 -0.1015709 0.1436429), wk = 0.0028090 k( 21) = ( 0.1851852 -0.1069167 0.1512031), wk = 0.0028090 k( 22) = ( 0.1944444 -0.1122625 0.1587632), wk = 0.0028090 k( 23) = ( 0.2037037 -0.1176084 0.1663234), wk = 0.0028090 k( 24) = ( 0.2129630 -0.1229542 0.1738835), wk = 0.0028090 k( 25) = ( 0.2222222 -0.1283001 0.1814437), wk = 0.0028090 k( 26) = ( 0.2314815 -0.1336459 0.1890038), wk = 0.0028090 k( 27) = ( 0.2407407 -0.1389917 0.1965640), wk = 0.0028090 k( 28) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0028090 k( 29) = ( 0.2592593 -0.1496834 0.2116843), wk = 0.0028090 k( 30) = ( 0.2685185 -0.1550292 0.2192445), wk = 0.0028090 k( 31) = ( 0.2777778 -0.1603751 0.2268046), wk = 0.0028090 k( 32) = ( 0.2870370 -0.1657209 0.2343648), wk = 0.0028090 k( 33) = ( 0.2962963 -0.1710667 0.2419249), wk = 0.0028090 k( 34) = ( 0.3055556 -0.1764126 0.2494851), wk = 0.0028090 k( 35) = ( 0.3148148 -0.1817584 0.2570452), wk = 0.0028090 k( 36) = ( 0.3240741 -0.1871043 0.2646054), wk = 0.0028090 k( 37) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0028090 k( 38) = ( 0.3425926 -0.1977959 0.2797257), wk = 0.0028090 k( 39) = ( 0.3518519 -0.2031418 0.2872858), wk = 0.0028090 k( 40) = ( 0.3611111 -0.2084876 0.2948460), wk = 0.0028090 k( 41) = ( 0.3703704 -0.2138334 0.3024061), wk = 0.0028090 k( 42) = ( 0.3796296 -0.2191793 0.3099663), wk = 0.0028090 k( 43) = ( 0.3888889 -0.2245251 0.3175264), wk = 0.0028090 k( 44) = ( 0.3981481 -0.2298709 0.3250866), wk = 0.0028090 k( 45) = ( 0.4074074 -0.2352168 0.3326468), wk = 0.0028090 k( 46) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0028090 k( 47) = ( 0.4259259 -0.2459085 0.3477671), wk = 0.0028090 k( 48) = ( 0.4351852 -0.2512543 0.3553272), wk = 0.0028090 k( 49) = ( 0.4444444 -0.2566001 0.3628874), wk = 0.0028090 k( 50) = ( 0.4537037 -0.2619460 0.3704475), wk = 0.0028090 k( 51) = ( 0.4629630 -0.2672918 0.3780077), wk = 0.0028090 k( 52) = ( 0.4722222 -0.2726376 0.3855678), wk = 0.0028090 k( 53) = ( 0.4814815 -0.2779835 0.3931280), wk = 0.0028090 k( 54) = ( 0.4907407 -0.2833293 0.4006881), wk = 0.0028090 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 k( 56) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 k( 57) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028090 k( 58) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028090 k( 59) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028090 k( 60) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028090 k( 61) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028090 k( 62) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028090 k( 63) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028090 k( 64) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028090 k( 65) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028090 k( 66) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028090 k( 67) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028090 k( 68) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028090 k( 69) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028090 k( 70) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028090 k( 71) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028090 k( 72) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028090 k( 73) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028090 k( 74) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028090 k( 75) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028090 k( 76) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028090 k( 77) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028090 k( 78) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028090 k( 79) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028090 k( 80) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028090 k( 81) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028090 k( 82) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028090 k( 83) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 84) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 85) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028090 k( 86) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028090 k( 87) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028090 k( 88) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028090 k( 89) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028090 k( 90) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028090 k( 91) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028090 k( 92) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028090 k( 93) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028090 k( 94) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028090 k( 95) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028090 k( 96) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028090 k( 97) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028090 k( 98) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028090 k( 99) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028090 k( 100) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028090 k( 101) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028090 k( 102) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028090 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 104) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 105) = ( 0.3684211 0.2127080 0.6016291), wk = 0.0028090 k( 106) = ( 0.3618421 0.2089096 0.5908857), wk = 0.0028090 k( 107) = ( 0.3552632 0.2051113 0.5801423), wk = 0.0028090 k( 108) = ( 0.3486842 0.2013129 0.5693989), wk = 0.0028090 k( 109) = ( 0.3421053 0.1975146 0.5586556), wk = 0.0028090 k( 110) = ( 0.3355263 0.1937162 0.5479122), wk = 0.0028090 k( 111) = ( 0.3289474 0.1899179 0.5371688), wk = 0.0028090 k( 112) = ( 0.3223684 0.1861195 0.5264254), wk = 0.0028090 k( 113) = ( 0.3157895 0.1823211 0.5156821), wk = 0.0028090 k( 114) = ( 0.3092105 0.1785228 0.5049387), wk = 0.0028090 k( 115) = ( 0.3026316 0.1747244 0.4941953), wk = 0.0028090 k( 116) = ( 0.2960526 0.1709261 0.4834519), wk = 0.0028090 k( 117) = ( 0.2894737 0.1671277 0.4727086), wk = 0.0028090 k( 118) = ( 0.2828947 0.1633294 0.4619652), wk = 0.0028090 k( 119) = ( 0.2763158 0.1595310 0.4512218), wk = 0.0028090 k( 120) = ( 0.2697368 0.1557326 0.4404784), wk = 0.0028090 k( 121) = ( 0.2631579 0.1519343 0.4297350), wk = 0.0028090 k( 122) = ( 0.2565789 0.1481359 0.4189917), wk = 0.0028090 k( 123) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0028090 k( 124) = ( 0.2434210 0.1405392 0.3975049), wk = 0.0028090 k( 125) = ( 0.2368421 0.1367409 0.3867615), wk = 0.0028090 k( 126) = ( 0.2302632 0.1329425 0.3760182), wk = 0.0028090 k( 127) = ( 0.2236842 0.1291441 0.3652748), wk = 0.0028090 k( 128) = ( 0.2171053 0.1253458 0.3545314), wk = 0.0028090 k( 129) = ( 0.2105263 0.1215474 0.3437880), wk = 0.0028090 k( 130) = ( 0.2039474 0.1177491 0.3330447), wk = 0.0028090 k( 131) = ( 0.1973684 0.1139507 0.3223013), wk = 0.0028090 k( 132) = ( 0.1907895 0.1101524 0.3115579), wk = 0.0028090 k( 133) = ( 0.1842105 0.1063540 0.3008145), wk = 0.0028090 k( 134) = ( 0.1776316 0.1025556 0.2900712), wk = 0.0028090 k( 135) = ( 0.1710526 0.0987573 0.2793278), wk = 0.0028090 k( 136) = ( 0.1644737 0.0949589 0.2685844), wk = 0.0028090 k( 137) = ( 0.1578947 0.0911606 0.2578410), wk = 0.0028090 k( 138) = ( 0.1513158 0.0873622 0.2470977), wk = 0.0028090 k( 139) = ( 0.1447368 0.0835639 0.2363543), wk = 0.0028090 k( 140) = ( 0.1381579 0.0797655 0.2256109), wk = 0.0028090 k( 141) = ( 0.1315790 0.0759671 0.2148675), wk = 0.0028090 k( 142) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0028090 k( 143) = ( 0.1184210 0.0683704 0.1933808), wk = 0.0028090 k( 144) = ( 0.1118421 0.0645721 0.1826374), wk = 0.0028090 k( 145) = ( 0.1052632 0.0607737 0.1718940), wk = 0.0028090 k( 146) = ( 0.0986842 0.0569754 0.1611506), wk = 0.0028090 k( 147) = ( 0.0921053 0.0531770 0.1504073), wk = 0.0028090 k( 148) = ( 0.0855263 0.0493786 0.1396639), wk = 0.0028090 k( 149) = ( 0.0789474 0.0455803 0.1289205), wk = 0.0028090 k( 150) = ( 0.0723684 0.0417819 0.1181771), wk = 0.0028090 k( 151) = ( 0.0657895 0.0379836 0.1074338), wk = 0.0028090 k( 152) = ( 0.0592105 0.0341852 0.0966904), wk = 0.0028090 k( 153) = ( 0.0526316 0.0303869 0.0859470), wk = 0.0028090 k( 154) = ( 0.0460526 0.0265885 0.0752036), wk = 0.0028090 k( 155) = ( 0.0394737 0.0227901 0.0644603), wk = 0.0028090 k( 156) = ( 0.0328947 0.0189918 0.0537169), wk = 0.0028090 k( 157) = ( 0.0263158 0.0151934 0.0429735), wk = 0.0028090 k( 158) = ( 0.0197368 0.0113951 0.0322301), wk = 0.0028090 k( 159) = ( 0.0131579 0.0075967 0.0214868), wk = 0.0028090 k( 160) = ( 0.0065790 0.0037984 0.0107434), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 163) = ( 0.0106383 0.0061420 0.0043431), wk = 0.0028090 k( 164) = ( 0.0212766 0.0122841 0.0086861), wk = 0.0028090 k( 165) = ( 0.0319149 0.0184261 0.0130292), wk = 0.0028090 k( 166) = ( 0.0425532 0.0245681 0.0173723), wk = 0.0028090 k( 167) = ( 0.0531915 0.0307101 0.0217153), wk = 0.0028090 k( 168) = ( 0.0638298 0.0368521 0.0260584), wk = 0.0028090 k( 169) = ( 0.0744681 0.0429942 0.0304015), wk = 0.0028090 k( 170) = ( 0.0851064 0.0491362 0.0347445), wk = 0.0028090 k( 171) = ( 0.0957447 0.0552782 0.0390876), wk = 0.0028090 k( 172) = ( 0.1063830 0.0614202 0.0434307), wk = 0.0028090 k( 173) = ( 0.1170213 0.0675623 0.0477737), wk = 0.0028090 k( 174) = ( 0.1276596 0.0737043 0.0521168), wk = 0.0028090 k( 175) = ( 0.1382979 0.0798463 0.0564599), wk = 0.0028090 k( 176) = ( 0.1489362 0.0859883 0.0608029), wk = 0.0028090 k( 177) = ( 0.1595745 0.0921304 0.0651460), wk = 0.0028090 k( 178) = ( 0.1702128 0.0982724 0.0694891), wk = 0.0028090 k( 179) = ( 0.1808511 0.1044144 0.0738321), wk = 0.0028090 k( 180) = ( 0.1914894 0.1105564 0.0781752), wk = 0.0028090 k( 181) = ( 0.2021277 0.1166985 0.0825183), wk = 0.0028090 k( 182) = ( 0.2127660 0.1228405 0.0868613), wk = 0.0028090 k( 183) = ( 0.2234043 0.1289825 0.0912044), wk = 0.0028090 k( 184) = ( 0.2340425 0.1351245 0.0955475), wk = 0.0028090 k( 185) = ( 0.2446809 0.1412666 0.0998905), wk = 0.0028090 k( 186) = ( 0.2553191 0.1474086 0.1042336), wk = 0.0028090 k( 187) = ( 0.2659574 0.1535506 0.1085767), wk = 0.0028090 k( 188) = ( 0.2765957 0.1596926 0.1129197), wk = 0.0028090 k( 189) = ( 0.2872340 0.1658347 0.1172628), wk = 0.0028090 k( 190) = ( 0.2978723 0.1719767 0.1216059), wk = 0.0028090 k( 191) = ( 0.3085106 0.1781187 0.1259489), wk = 0.0028090 k( 192) = ( 0.3191489 0.1842607 0.1302920), wk = 0.0028090 k( 193) = ( 0.3297872 0.1904027 0.1346351), wk = 0.0028090 k( 194) = ( 0.3404255 0.1965448 0.1389781), wk = 0.0028090 k( 195) = ( 0.3510638 0.2026868 0.1433212), wk = 0.0028090 k( 196) = ( 0.3617021 0.2088288 0.1476643), wk = 0.0028090 k( 197) = ( 0.3723404 0.2149708 0.1520073), wk = 0.0028090 k( 198) = ( 0.3829787 0.2211129 0.1563504), wk = 0.0028090 k( 199) = ( 0.3936170 0.2272549 0.1606935), wk = 0.0028090 k( 200) = ( 0.4042553 0.2333969 0.1650365), wk = 0.0028090 k( 201) = ( 0.4148936 0.2395389 0.1693796), wk = 0.0028090 k( 202) = ( 0.4255319 0.2456810 0.1737227), wk = 0.0028090 k( 203) = ( 0.4361702 0.2518230 0.1780657), wk = 0.0028090 k( 204) = ( 0.4468085 0.2579650 0.1824088), wk = 0.0028090 k( 205) = ( 0.4574468 0.2641070 0.1867519), wk = 0.0028090 k( 206) = ( 0.4680851 0.2702491 0.1910949), wk = 0.0028090 k( 207) = ( 0.4787234 0.2763911 0.1954380), wk = 0.0028090 k( 208) = ( 0.4893617 0.2825331 0.1997811), wk = 0.0028090 k( 209) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 210) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 211) = ( 0.5037879 0.2777405 0.2103097), wk = 0.0028090 k( 212) = ( 0.5075758 0.2668058 0.2164953), wk = 0.0028090 k( 213) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0028090 k( 214) = ( 0.5151515 0.2449365 0.2288665), wk = 0.0028090 k( 215) = ( 0.5189394 0.2340018 0.2350520), wk = 0.0028090 k( 216) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0028090 k( 217) = ( 0.5265152 0.2121325 0.2474232), wk = 0.0028090 k( 218) = ( 0.5303030 0.2011978 0.2536088), wk = 0.0028090 k( 219) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0028090 k( 220) = ( 0.5378788 0.1793285 0.2659800), wk = 0.0028090 k( 221) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0028090 k( 222) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0028090 k( 223) = ( 0.5492424 0.1465245 0.2845367), wk = 0.0028090 k( 224) = ( 0.5530303 0.1355898 0.2907223), wk = 0.0028090 k( 225) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0028090 k( 226) = ( 0.5606061 0.1137205 0.3030934), wk = 0.0028090 k( 227) = ( 0.5643939 0.1027858 0.3092790), wk = 0.0028090 k( 228) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0028090 k( 229) = ( 0.5719697 0.0809165 0.3216502), wk = 0.0028090 k( 230) = ( 0.5757576 0.0699819 0.3278358), wk = 0.0028090 k( 231) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0028090 k( 232) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0028090 k( 233) = ( 0.5871212 0.0371779 0.3463925), wk = 0.0028090 k( 234) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0028090 k( 235) = ( 0.5946970 0.0153085 0.3587636), wk = 0.0028090 k( 236) = ( 0.5984848 0.0043739 0.3649492), wk = 0.0028090 k( 237) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0028090 k( 238) = ( 0.6060606 -0.0174955 0.3773204), wk = 0.0028090 k( 239) = ( 0.6098485 -0.0284301 0.3835060), wk = 0.0028090 k( 240) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0028090 k( 241) = ( 0.6174242 -0.0502994 0.3958771), wk = 0.0028090 k( 242) = ( 0.6212121 -0.0612341 0.4020627), wk = 0.0028090 k( 243) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 244) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 245) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028090 k( 246) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028090 k( 247) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028090 k( 248) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028090 k( 249) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028090 k( 250) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028090 k( 251) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028090 k( 252) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028090 k( 253) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028090 k( 254) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028090 k( 255) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028090 k( 256) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028090 k( 257) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028090 k( 258) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028090 k( 259) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028090 k( 260) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028090 k( 261) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028090 k( 262) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028090 k( 263) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 264) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 265) = ( 0.5000000 0.0075967 0.6016291), wk = 0.0028090 k( 266) = ( 0.5000000 0.0151934 0.5908857), wk = 0.0028090 k( 267) = ( 0.5000000 0.0227901 0.5801423), wk = 0.0028090 k( 268) = ( 0.5000000 0.0303869 0.5693989), wk = 0.0028090 k( 269) = ( 0.5000000 0.0379836 0.5586556), wk = 0.0028090 k( 270) = ( 0.5000000 0.0455803 0.5479122), wk = 0.0028090 k( 271) = ( 0.5000000 0.0531770 0.5371688), wk = 0.0028090 k( 272) = ( 0.5000000 0.0607737 0.5264254), wk = 0.0028090 k( 273) = ( 0.5000000 0.0683704 0.5156820), wk = 0.0028090 k( 274) = ( 0.5000000 0.0759671 0.5049387), wk = 0.0028090 k( 275) = ( 0.5000000 0.0835639 0.4941953), wk = 0.0028090 k( 276) = ( 0.5000000 0.0911606 0.4834519), wk = 0.0028090 k( 277) = ( 0.5000000 0.0987573 0.4727085), wk = 0.0028090 k( 278) = ( 0.5000000 0.1063540 0.4619652), wk = 0.0028090 k( 279) = ( 0.5000000 0.1139507 0.4512218), wk = 0.0028090 k( 280) = ( 0.5000000 0.1215474 0.4404784), wk = 0.0028090 k( 281) = ( 0.5000000 0.1291441 0.4297350), wk = 0.0028090 k( 282) = ( 0.5000000 0.1367409 0.4189917), wk = 0.0028090 k( 283) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0028090 k( 284) = ( 0.5000000 0.1519343 0.3975049), wk = 0.0028090 k( 285) = ( 0.5000000 0.1595310 0.3867615), wk = 0.0028090 k( 286) = ( 0.5000000 0.1671277 0.3760182), wk = 0.0028090 k( 287) = ( 0.5000000 0.1747244 0.3652748), wk = 0.0028090 k( 288) = ( 0.5000000 0.1823211 0.3545314), wk = 0.0028090 k( 289) = ( 0.5000000 0.1899178 0.3437880), wk = 0.0028090 k( 290) = ( 0.5000000 0.1975146 0.3330447), wk = 0.0028090 k( 291) = ( 0.5000000 0.2051113 0.3223013), wk = 0.0028090 k( 292) = ( 0.5000000 0.2127080 0.3115579), wk = 0.0028090 k( 293) = ( 0.5000000 0.2203047 0.3008145), wk = 0.0028090 k( 294) = ( 0.5000000 0.2279014 0.2900712), wk = 0.0028090 k( 295) = ( 0.5000000 0.2354981 0.2793278), wk = 0.0028090 k( 296) = ( 0.5000000 0.2430949 0.2685844), wk = 0.0028090 k( 297) = ( 0.5000000 0.2506916 0.2578410), wk = 0.0028090 k( 298) = ( 0.5000000 0.2582883 0.2470977), wk = 0.0028090 k( 299) = ( 0.5000000 0.2658850 0.2363543), wk = 0.0028090 k( 300) = ( 0.5000000 0.2734817 0.2256109), wk = 0.0028090 k( 301) = ( 0.5000000 0.2810784 0.2148675), wk = 0.0028090 k( 302) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 303) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 304) = ( 0.4962121 0.2864882 0.2164953), wk = 0.0028090 k( 305) = ( 0.4924242 0.2843013 0.2288665), wk = 0.0028090 k( 306) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0028090 k( 307) = ( 0.4848485 0.2799274 0.2536088), wk = 0.0028090 k( 308) = ( 0.4810606 0.2777405 0.2659799), wk = 0.0028090 k( 309) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0028090 k( 310) = ( 0.4734849 0.2733666 0.2907223), wk = 0.0028090 k( 311) = ( 0.4696970 0.2711797 0.3030934), wk = 0.0028090 k( 312) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0028090 k( 313) = ( 0.4621212 0.2668058 0.3278358), wk = 0.0028090 k( 314) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0028090 k( 315) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0028090 k( 316) = ( 0.4507576 0.2602450 0.3649492), wk = 0.0028090 k( 317) = ( 0.4469697 0.2580581 0.3773204), wk = 0.0028090 k( 318) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0028090 k( 319) = ( 0.4393939 0.2536842 0.4020627), wk = 0.0028090 k( 320) = ( 0.4356061 0.2514973 0.4144339), wk = 0.0028090 k( 321) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0028090 k( 322) = ( 0.4280303 0.2471234 0.4391762), wk = 0.0028090 k( 323) = ( 0.4242424 0.2449365 0.4515474), wk = 0.0028090 k( 324) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0028090 k( 325) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0028090 k( 326) = ( 0.4128788 0.2383757 0.4886608), wk = 0.0028090 k( 327) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0028090 k( 328) = ( 0.4053030 0.2340018 0.5134032), wk = 0.0028090 k( 329) = ( 0.4015151 0.2318149 0.5257743), wk = 0.0028090 k( 330) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0028090 k( 331) = ( 0.3939394 0.2274410 0.5505166), wk = 0.0028090 k( 332) = ( 0.3901515 0.2252541 0.5628878), wk = 0.0028090 k( 333) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0028090 k( 334) = ( 0.3825758 0.2208802 0.5876301), wk = 0.0028090 k( 335) = ( 0.3787879 0.2186933 0.6000013), wk = 0.0028090 k( 336) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 337) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 338) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028090 k( 339) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028090 k( 340) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028090 k( 341) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028090 k( 342) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028090 k( 343) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028090 k( 344) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028090 k( 345) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028090 k( 346) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028090 k( 347) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028090 k( 348) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028090 k( 349) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028090 k( 350) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028090 k( 351) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028090 k( 352) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028090 k( 353) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028090 k( 354) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028090 k( 355) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028090 k( 356) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0092593 -0.0000000 0.0092593), wk = 0.0028090 k( 3) = ( 0.0185185 -0.0000000 0.0185185), wk = 0.0028090 k( 4) = ( 0.0277778 -0.0000000 0.0277778), wk = 0.0028090 k( 5) = ( 0.0370370 -0.0000000 0.0370370), wk = 0.0028090 k( 6) = ( 0.0462963 -0.0000000 0.0462963), wk = 0.0028090 k( 7) = ( 0.0555556 -0.0000000 0.0555556), wk = 0.0028090 k( 8) = ( 0.0648148 -0.0000000 0.0648148), wk = 0.0028090 k( 9) = ( 0.0740741 -0.0000000 0.0740741), wk = 0.0028090 k( 10) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0028090 k( 11) = ( 0.0925926 -0.0000000 0.0925926), wk = 0.0028090 k( 12) = ( 0.1018518 -0.0000000 0.1018519), wk = 0.0028090 k( 13) = ( 0.1111111 -0.0000000 0.1111111), wk = 0.0028090 k( 14) = ( 0.1203704 -0.0000000 0.1203704), wk = 0.0028090 k( 15) = ( 0.1296296 -0.0000000 0.1296296), wk = 0.0028090 k( 16) = ( 0.1388889 -0.0000000 0.1388889), wk = 0.0028090 k( 17) = ( 0.1481482 -0.0000000 0.1481482), wk = 0.0028090 k( 18) = ( 0.1574074 -0.0000000 0.1574074), wk = 0.0028090 k( 19) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0028090 k( 20) = ( 0.1759259 -0.0000000 0.1759259), wk = 0.0028090 k( 21) = ( 0.1851852 -0.0000000 0.1851852), wk = 0.0028090 k( 22) = ( 0.1944444 -0.0000000 0.1944444), wk = 0.0028090 k( 23) = ( 0.2037037 -0.0000000 0.2037037), wk = 0.0028090 k( 24) = ( 0.2129630 -0.0000000 0.2129630), wk = 0.0028090 k( 25) = ( 0.2222222 -0.0000000 0.2222222), wk = 0.0028090 k( 26) = ( 0.2314815 -0.0000000 0.2314815), wk = 0.0028090 k( 27) = ( 0.2407407 -0.0000000 0.2407407), wk = 0.0028090 k( 28) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028090 k( 29) = ( 0.2592593 -0.0000000 0.2592593), wk = 0.0028090 k( 30) = ( 0.2685185 0.0000000 0.2685185), wk = 0.0028090 k( 31) = ( 0.2777778 -0.0000000 0.2777778), wk = 0.0028090 k( 32) = ( 0.2870370 0.0000000 0.2870370), wk = 0.0028090 k( 33) = ( 0.2962963 -0.0000000 0.2962963), wk = 0.0028090 k( 34) = ( 0.3055556 -0.0000000 0.3055556), wk = 0.0028090 k( 35) = ( 0.3148148 -0.0000000 0.3148148), wk = 0.0028090 k( 36) = ( 0.3240741 -0.0000000 0.3240741), wk = 0.0028090 k( 37) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0028090 k( 38) = ( 0.3425926 -0.0000000 0.3425926), wk = 0.0028090 k( 39) = ( 0.3518519 -0.0000000 0.3518519), wk = 0.0028090 k( 40) = ( 0.3611111 -0.0000000 0.3611111), wk = 0.0028090 k( 41) = ( 0.3703704 -0.0000000 0.3703704), wk = 0.0028090 k( 42) = ( 0.3796296 -0.0000000 0.3796296), wk = 0.0028090 k( 43) = ( 0.3888889 -0.0000000 0.3888889), wk = 0.0028090 k( 44) = ( 0.3981481 -0.0000000 0.3981481), wk = 0.0028090 k( 45) = ( 0.4074074 -0.0000000 0.4074074), wk = 0.0028090 k( 46) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0028090 k( 47) = ( 0.4259259 -0.0000000 0.4259259), wk = 0.0028090 k( 48) = ( 0.4351852 -0.0000000 0.4351852), wk = 0.0028090 k( 49) = ( 0.4444444 -0.0000000 0.4444444), wk = 0.0028090 k( 50) = ( 0.4537037 -0.0000000 0.4537037), wk = 0.0028090 k( 51) = ( 0.4629630 -0.0000000 0.4629630), wk = 0.0028090 k( 52) = ( 0.4722222 -0.0000000 0.4722222), wk = 0.0028090 k( 53) = ( 0.4814815 -0.0000000 0.4814815), wk = 0.0028090 k( 54) = ( 0.4907407 -0.0000000 0.4907407), wk = 0.0028090 k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 k( 56) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 k( 57) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028090 k( 58) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028090 k( 59) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028090 k( 60) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028090 k( 61) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028090 k( 62) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028090 k( 63) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028090 k( 64) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028090 k( 65) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028090 k( 66) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028090 k( 67) = ( 0.5000000 0.1018518 0.6018518), wk = 0.0028090 k( 68) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028090 k( 69) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028090 k( 70) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028090 k( 71) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028090 k( 72) = ( 0.5000000 0.1481481 0.6481482), wk = 0.0028090 k( 73) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028090 k( 74) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028090 k( 75) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028090 k( 76) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028090 k( 77) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028090 k( 78) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028090 k( 79) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028090 k( 80) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028090 k( 81) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028090 k( 82) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028090 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 84) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 85) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028090 k( 86) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028090 k( 87) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028090 k( 88) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028090 k( 89) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028090 k( 90) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028090 k( 91) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028090 k( 92) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028090 k( 93) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028090 k( 94) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028090 k( 95) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028090 k( 96) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028090 k( 97) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028090 k( 98) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028090 k( 99) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028090 k( 100) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028090 k( 101) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028090 k( 102) = ( 0.3815789 0.3684210 0.7500000), wk = 0.0028090 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 104) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 105) = ( 0.3684211 0.3684210 0.7368421), wk = 0.0028090 k( 106) = ( 0.3618421 0.3618421 0.7236842), wk = 0.0028090 k( 107) = ( 0.3552632 0.3552632 0.7105263), wk = 0.0028090 k( 108) = ( 0.3486842 0.3486842 0.6973684), wk = 0.0028090 k( 109) = ( 0.3421053 0.3421053 0.6842105), wk = 0.0028090 k( 110) = ( 0.3355263 0.3355263 0.6710526), wk = 0.0028090 k( 111) = ( 0.3289474 0.3289474 0.6578947), wk = 0.0028090 k( 112) = ( 0.3223684 0.3223684 0.6447368), wk = 0.0028090 k( 113) = ( 0.3157895 0.3157895 0.6315789), wk = 0.0028090 k( 114) = ( 0.3092105 0.3092105 0.6184211), wk = 0.0028090 k( 115) = ( 0.3026316 0.3026316 0.6052632), wk = 0.0028090 k( 116) = ( 0.2960526 0.2960526 0.5921053), wk = 0.0028090 k( 117) = ( 0.2894737 0.2894737 0.5789474), wk = 0.0028090 k( 118) = ( 0.2828947 0.2828947 0.5657895), wk = 0.0028090 k( 119) = ( 0.2763158 0.2763158 0.5526316), wk = 0.0028090 k( 120) = ( 0.2697368 0.2697368 0.5394737), wk = 0.0028090 k( 121) = ( 0.2631579 0.2631579 0.5263158), wk = 0.0028090 k( 122) = ( 0.2565789 0.2565789 0.5131579), wk = 0.0028090 k( 123) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028090 k( 124) = ( 0.2434210 0.2434210 0.4868421), wk = 0.0028090 k( 125) = ( 0.2368421 0.2368421 0.4736842), wk = 0.0028090 k( 126) = ( 0.2302632 0.2302632 0.4605263), wk = 0.0028090 k( 127) = ( 0.2236842 0.2236842 0.4473684), wk = 0.0028090 k( 128) = ( 0.2171053 0.2171053 0.4342105), wk = 0.0028090 k( 129) = ( 0.2105263 0.2105263 0.4210526), wk = 0.0028090 k( 130) = ( 0.2039474 0.2039474 0.4078947), wk = 0.0028090 k( 131) = ( 0.1973684 0.1973684 0.3947368), wk = 0.0028090 k( 132) = ( 0.1907895 0.1907895 0.3815790), wk = 0.0028090 k( 133) = ( 0.1842105 0.1842105 0.3684211), wk = 0.0028090 k( 134) = ( 0.1776316 0.1776316 0.3552632), wk = 0.0028090 k( 135) = ( 0.1710526 0.1710526 0.3421053), wk = 0.0028090 k( 136) = ( 0.1644737 0.1644737 0.3289474), wk = 0.0028090 k( 137) = ( 0.1578947 0.1578947 0.3157895), wk = 0.0028090 k( 138) = ( 0.1513158 0.1513158 0.3026316), wk = 0.0028090 k( 139) = ( 0.1447368 0.1447368 0.2894737), wk = 0.0028090 k( 140) = ( 0.1381579 0.1381579 0.2763158), wk = 0.0028090 k( 141) = ( 0.1315790 0.1315790 0.2631579), wk = 0.0028090 k( 142) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0028090 k( 143) = ( 0.1184210 0.1184210 0.2368421), wk = 0.0028090 k( 144) = ( 0.1118421 0.1118421 0.2236842), wk = 0.0028090 k( 145) = ( 0.1052632 0.1052632 0.2105263), wk = 0.0028090 k( 146) = ( 0.0986842 0.0986842 0.1973684), wk = 0.0028090 k( 147) = ( 0.0921053 0.0921053 0.1842105), wk = 0.0028090 k( 148) = ( 0.0855263 0.0855263 0.1710526), wk = 0.0028090 k( 149) = ( 0.0789474 0.0789474 0.1578947), wk = 0.0028090 k( 150) = ( 0.0723684 0.0723684 0.1447368), wk = 0.0028090 k( 151) = ( 0.0657895 0.0657895 0.1315790), wk = 0.0028090 k( 152) = ( 0.0592105 0.0592105 0.1184210), wk = 0.0028090 k( 153) = ( 0.0526316 0.0526316 0.1052632), wk = 0.0028090 k( 154) = ( 0.0460526 0.0460526 0.0921053), wk = 0.0028090 k( 155) = ( 0.0394737 0.0394737 0.0789474), wk = 0.0028090 k( 156) = ( 0.0328947 0.0328947 0.0657895), wk = 0.0028090 k( 157) = ( 0.0263158 0.0263158 0.0526316), wk = 0.0028090 k( 158) = ( 0.0197368 0.0197368 0.0394737), wk = 0.0028090 k( 159) = ( 0.0131579 0.0131579 0.0263158), wk = 0.0028090 k( 160) = ( 0.0065790 0.0065789 0.0131579), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 163) = ( 0.0106383 0.0106383 0.0106383), wk = 0.0028090 k( 164) = ( 0.0212766 0.0212766 0.0212766), wk = 0.0028090 k( 165) = ( 0.0319149 0.0319149 0.0319149), wk = 0.0028090 k( 166) = ( 0.0425532 0.0425532 0.0425532), wk = 0.0028090 k( 167) = ( 0.0531915 0.0531915 0.0531915), wk = 0.0028090 k( 168) = ( 0.0638298 0.0638298 0.0638298), wk = 0.0028090 k( 169) = ( 0.0744681 0.0744681 0.0744681), wk = 0.0028090 k( 170) = ( 0.0851064 0.0851064 0.0851064), wk = 0.0028090 k( 171) = ( 0.0957447 0.0957447 0.0957447), wk = 0.0028090 k( 172) = ( 0.1063830 0.1063830 0.1063830), wk = 0.0028090 k( 173) = ( 0.1170213 0.1170213 0.1170213), wk = 0.0028090 k( 174) = ( 0.1276596 0.1276596 0.1276596), wk = 0.0028090 k( 175) = ( 0.1382979 0.1382979 0.1382979), wk = 0.0028090 k( 176) = ( 0.1489362 0.1489362 0.1489362), wk = 0.0028090 k( 177) = ( 0.1595745 0.1595745 0.1595745), wk = 0.0028090 k( 178) = ( 0.1702128 0.1702128 0.1702128), wk = 0.0028090 k( 179) = ( 0.1808511 0.1808511 0.1808511), wk = 0.0028090 k( 180) = ( 0.1914894 0.1914894 0.1914894), wk = 0.0028090 k( 181) = ( 0.2021277 0.2021277 0.2021277), wk = 0.0028090 k( 182) = ( 0.2127660 0.2127660 0.2127660), wk = 0.0028090 k( 183) = ( 0.2234043 0.2234043 0.2234043), wk = 0.0028090 k( 184) = ( 0.2340425 0.2340425 0.2340425), wk = 0.0028090 k( 185) = ( 0.2446809 0.2446808 0.2446809), wk = 0.0028090 k( 186) = ( 0.2553191 0.2553191 0.2553191), wk = 0.0028090 k( 187) = ( 0.2659574 0.2659574 0.2659574), wk = 0.0028090 k( 188) = ( 0.2765957 0.2765957 0.2765957), wk = 0.0028090 k( 189) = ( 0.2872340 0.2872340 0.2872340), wk = 0.0028090 k( 190) = ( 0.2978723 0.2978723 0.2978723), wk = 0.0028090 k( 191) = ( 0.3085106 0.3085106 0.3085106), wk = 0.0028090 k( 192) = ( 0.3191489 0.3191489 0.3191489), wk = 0.0028090 k( 193) = ( 0.3297872 0.3297872 0.3297872), wk = 0.0028090 k( 194) = ( 0.3404255 0.3404255 0.3404255), wk = 0.0028090 k( 195) = ( 0.3510638 0.3510638 0.3510638), wk = 0.0028090 k( 196) = ( 0.3617021 0.3617021 0.3617021), wk = 0.0028090 k( 197) = ( 0.3723404 0.3723404 0.3723404), wk = 0.0028090 k( 198) = ( 0.3829787 0.3829787 0.3829787), wk = 0.0028090 k( 199) = ( 0.3936170 0.3936170 0.3936170), wk = 0.0028090 k( 200) = ( 0.4042553 0.4042553 0.4042553), wk = 0.0028090 k( 201) = ( 0.4148936 0.4148936 0.4148936), wk = 0.0028090 k( 202) = ( 0.4255319 0.4255319 0.4255319), wk = 0.0028090 k( 203) = ( 0.4361702 0.4361702 0.4361702), wk = 0.0028090 k( 204) = ( 0.4468085 0.4468085 0.4468085), wk = 0.0028090 k( 205) = ( 0.4574468 0.4574468 0.4574468), wk = 0.0028090 k( 206) = ( 0.4680851 0.4680851 0.4680851), wk = 0.0028090 k( 207) = ( 0.4787234 0.4787234 0.4787234), wk = 0.0028090 k( 208) = ( 0.4893617 0.4893617 0.4893617), wk = 0.0028090 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 211) = ( 0.5037879 0.4924242 0.5037879), wk = 0.0028090 k( 212) = ( 0.5075758 0.4848485 0.5075758), wk = 0.0028090 k( 213) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0028090 k( 214) = ( 0.5151515 0.4696970 0.5151515), wk = 0.0028090 k( 215) = ( 0.5189394 0.4621212 0.5189394), wk = 0.0028090 k( 216) = ( 0.5227273 0.4545454 0.5227273), wk = 0.0028090 k( 217) = ( 0.5265152 0.4469697 0.5265152), wk = 0.0028090 k( 218) = ( 0.5303030 0.4393939 0.5303030), wk = 0.0028090 k( 219) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0028090 k( 220) = ( 0.5378788 0.4242424 0.5378788), wk = 0.0028090 k( 221) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0028090 k( 222) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0028090 k( 223) = ( 0.5492424 0.4015151 0.5492424), wk = 0.0028090 k( 224) = ( 0.5530303 0.3939394 0.5530303), wk = 0.0028090 k( 225) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0028090 k( 226) = ( 0.5606061 0.3787879 0.5606061), wk = 0.0028090 k( 227) = ( 0.5643939 0.3712121 0.5643939), wk = 0.0028090 k( 228) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0028090 k( 229) = ( 0.5719697 0.3560606 0.5719697), wk = 0.0028090 k( 230) = ( 0.5757576 0.3484848 0.5757576), wk = 0.0028090 k( 231) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0028090 k( 232) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0028090 k( 233) = ( 0.5871212 0.3257576 0.5871212), wk = 0.0028090 k( 234) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0028090 k( 235) = ( 0.5946970 0.3106061 0.5946970), wk = 0.0028090 k( 236) = ( 0.5984848 0.3030303 0.5984848), wk = 0.0028090 k( 237) = ( 0.6022727 0.2954545 0.6022727), wk = 0.0028090 k( 238) = ( 0.6060606 0.2878788 0.6060606), wk = 0.0028090 k( 239) = ( 0.6098485 0.2803030 0.6098485), wk = 0.0028090 k( 240) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0028090 k( 241) = ( 0.6174242 0.2651515 0.6174242), wk = 0.0028090 k( 242) = ( 0.6212121 0.2575758 0.6212121), wk = 0.0028090 k( 243) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 244) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 245) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028090 k( 246) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028090 k( 247) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028090 k( 248) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028090 k( 249) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028090 k( 250) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028090 k( 251) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028090 k( 252) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028090 k( 253) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028090 k( 254) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028090 k( 255) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028090 k( 256) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028090 k( 257) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028090 k( 258) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028090 k( 259) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028090 k( 260) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028090 k( 261) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028090 k( 262) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028090 k( 263) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 264) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 265) = ( 0.5000000 0.2565789 0.7434211), wk = 0.0028090 k( 266) = ( 0.5000000 0.2631579 0.7368421), wk = 0.0028090 k( 267) = ( 0.5000000 0.2697368 0.7302632), wk = 0.0028090 k( 268) = ( 0.5000000 0.2763158 0.7236842), wk = 0.0028090 k( 269) = ( 0.5000000 0.2828947 0.7171053), wk = 0.0028090 k( 270) = ( 0.5000000 0.2894737 0.7105263), wk = 0.0028090 k( 271) = ( 0.5000000 0.2960526 0.7039474), wk = 0.0028090 k( 272) = ( 0.5000000 0.3026316 0.6973684), wk = 0.0028090 k( 273) = ( 0.5000000 0.3092105 0.6907895), wk = 0.0028090 k( 274) = ( 0.5000000 0.3157895 0.6842105), wk = 0.0028090 k( 275) = ( 0.5000000 0.3223684 0.6776316), wk = 0.0028090 k( 276) = ( 0.5000000 0.3289474 0.6710526), wk = 0.0028090 k( 277) = ( 0.5000000 0.3355263 0.6644737), wk = 0.0028090 k( 278) = ( 0.5000000 0.3421053 0.6578947), wk = 0.0028090 k( 279) = ( 0.5000000 0.3486842 0.6513158), wk = 0.0028090 k( 280) = ( 0.5000000 0.3552632 0.6447368), wk = 0.0028090 k( 281) = ( 0.5000000 0.3618421 0.6381579), wk = 0.0028090 k( 282) = ( 0.5000000 0.3684210 0.6315789), wk = 0.0028090 k( 283) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0028090 k( 284) = ( 0.5000000 0.3815789 0.6184211), wk = 0.0028090 k( 285) = ( 0.5000000 0.3881579 0.6118421), wk = 0.0028090 k( 286) = ( 0.5000000 0.3947368 0.6052632), wk = 0.0028090 k( 287) = ( 0.5000000 0.4013158 0.5986842), wk = 0.0028090 k( 288) = ( 0.5000000 0.4078947 0.5921053), wk = 0.0028090 k( 289) = ( 0.5000000 0.4144737 0.5855263), wk = 0.0028090 k( 290) = ( 0.5000000 0.4210526 0.5789474), wk = 0.0028090 k( 291) = ( 0.5000000 0.4276316 0.5723684), wk = 0.0028090 k( 292) = ( 0.5000000 0.4342105 0.5657895), wk = 0.0028090 k( 293) = ( 0.5000000 0.4407895 0.5592105), wk = 0.0028090 k( 294) = ( 0.5000000 0.4473684 0.5526316), wk = 0.0028090 k( 295) = ( 0.5000000 0.4539474 0.5460526), wk = 0.0028090 k( 296) = ( 0.5000000 0.4605263 0.5394737), wk = 0.0028090 k( 297) = ( 0.5000000 0.4671053 0.5328947), wk = 0.0028090 k( 298) = ( 0.5000000 0.4736842 0.5263158), wk = 0.0028090 k( 299) = ( 0.5000000 0.4802632 0.5197368), wk = 0.0028090 k( 300) = ( 0.5000000 0.4868421 0.5131579), wk = 0.0028090 k( 301) = ( 0.5000000 0.4934210 0.5065789), wk = 0.0028090 k( 302) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 303) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 304) = ( 0.4962121 0.4962121 0.5075758), wk = 0.0028090 k( 305) = ( 0.4924242 0.4924242 0.5151515), wk = 0.0028090 k( 306) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0028090 k( 307) = ( 0.4848485 0.4848485 0.5303030), wk = 0.0028090 k( 308) = ( 0.4810606 0.4810606 0.5378788), wk = 0.0028090 k( 309) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0028090 k( 310) = ( 0.4734849 0.4734848 0.5530303), wk = 0.0028090 k( 311) = ( 0.4696970 0.4696970 0.5606061), wk = 0.0028090 k( 312) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0028090 k( 313) = ( 0.4621212 0.4621212 0.5757576), wk = 0.0028090 k( 314) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0028090 k( 315) = ( 0.4545455 0.4545454 0.5909091), wk = 0.0028090 k( 316) = ( 0.4507576 0.4507576 0.5984848), wk = 0.0028090 k( 317) = ( 0.4469697 0.4469697 0.6060606), wk = 0.0028090 k( 318) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0028090 k( 319) = ( 0.4393939 0.4393939 0.6212121), wk = 0.0028090 k( 320) = ( 0.4356061 0.4356061 0.6287879), wk = 0.0028090 k( 321) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0028090 k( 322) = ( 0.4280303 0.4280303 0.6439394), wk = 0.0028090 k( 323) = ( 0.4242424 0.4242424 0.6515152), wk = 0.0028090 k( 324) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0028090 k( 325) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0028090 k( 326) = ( 0.4128788 0.4128788 0.6742424), wk = 0.0028090 k( 327) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0028090 k( 328) = ( 0.4053030 0.4053030 0.6893939), wk = 0.0028090 k( 329) = ( 0.4015151 0.4015151 0.6969697), wk = 0.0028090 k( 330) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0028090 k( 331) = ( 0.3939394 0.3939394 0.7121212), wk = 0.0028090 k( 332) = ( 0.3901515 0.3901515 0.7196970), wk = 0.0028090 k( 333) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0028090 k( 334) = ( 0.3825758 0.3825758 0.7348485), wk = 0.0028090 k( 335) = ( 0.3787879 0.3787879 0.7424242), wk = 0.0028090 k( 336) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 337) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 338) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028090 k( 339) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028090 k( 340) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028090 k( 341) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028090 k( 342) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028090 k( 343) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028090 k( 344) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028090 k( 345) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028090 k( 346) = ( 0.5657895 0.1315789 0.5657895), wk = 0.0028090 k( 347) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028090 k( 348) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028090 k( 349) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028090 k( 350) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028090 k( 351) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028090 k( 352) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028090 k( 353) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028090 k( 354) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028090 k( 355) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028090 k( 356) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 Dense grid: 53089 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 13803 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 108, 44) NL pseudopotentials 0.08 Mb ( 54, 102) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1475) G-vector shells 0.00 Mb ( 408) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 108, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.14 Mb ( 102, 2, 44) The potential is recalculated from file : ./Ga2Pt.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.5 secs Computing kpt #: 7 total cpu time spent up to now is 3.8 secs Computing kpt #: 8 total cpu time spent up to now is 4.1 secs Computing kpt #: 9 total cpu time spent up to now is 4.4 secs Computing kpt #: 10 total cpu time spent up to now is 4.7 secs Computing kpt #: 11 total cpu time spent up to now is 4.9 secs Computing kpt #: 12 total cpu time spent up to now is 5.2 secs Computing kpt #: 13 total cpu time spent up to now is 5.4 secs Computing kpt #: 14 total cpu time spent up to now is 5.7 secs Computing kpt #: 15 total cpu time spent up to now is 5.9 secs Computing kpt #: 16 total cpu time spent up to now is 6.1 secs Computing kpt #: 17 total cpu time spent up to now is 6.4 secs Computing kpt #: 18 total cpu time spent up to now is 6.6 secs Computing kpt #: 19 total cpu time spent up to now is 6.8 secs Computing kpt #: 20 total cpu time spent up to now is 7.0 secs Computing kpt #: 21 total cpu time spent up to now is 7.2 secs Computing kpt #: 22 total cpu time spent up to now is 7.4 secs Computing kpt #: 23 total cpu time spent up to now is 7.7 secs Computing kpt #: 24 total cpu time spent up to now is 7.9 secs Computing kpt #: 25 total cpu time spent up to now is 8.1 secs Computing kpt #: 26 total cpu time spent up to now is 8.3 secs Computing kpt #: 27 total cpu time spent up to now is 8.5 secs Computing kpt #: 28 total cpu time spent up to now is 8.7 secs Computing kpt #: 29 total cpu time spent up to now is 9.0 secs Computing kpt #: 30 total cpu time spent up 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total cpu time spent up to now is 14.7 secs Computing kpt #: 47 total cpu time spent up to now is 15.0 secs Computing kpt #: 48 total cpu time spent up to now is 15.2 secs Computing kpt #: 49 total cpu time spent up to now is 15.5 secs Computing kpt #: 50 total cpu time spent up to now is 15.7 secs Computing kpt #: 51 total cpu time spent up to now is 15.9 secs Computing kpt #: 52 total cpu time spent up to now is 16.2 secs Computing kpt #: 53 total cpu time spent up to now is 16.4 secs Computing kpt #: 54 total cpu time spent up to now is 16.7 secs Computing kpt #: 55 total cpu time spent up to now is 16.9 secs Computing kpt #: 56 total cpu time spent up to now is 17.1 secs Computing kpt #: 57 total cpu time spent up to now is 17.3 secs Computing kpt #: 58 total cpu time spent up to now is 17.6 secs Computing kpt #: 59 total cpu time spent up to now is 17.9 secs Computing kpt #: 60 total cpu time spent up to now is 18.1 secs Computing kpt #: 61 total cpu time spent up to now is 18.4 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total cpu time spent up to now is 46.2 secs Computing kpt #: 186 total cpu time spent up to now is 46.5 secs Computing kpt #: 187 total cpu time spent up to now is 46.7 secs Computing kpt #: 188 total cpu time spent up to now is 46.9 secs Computing kpt #: 189 total cpu time spent up to now is 47.1 secs Computing kpt #: 190 total cpu time spent up to now is 47.4 secs Computing kpt #: 191 total cpu time spent up to now is 47.6 secs Computing kpt #: 192 total cpu time spent up to now is 47.8 secs Computing kpt #: 193 total cpu time spent up to now is 48.0 secs Computing kpt #: 194 total cpu time spent up to now is 48.2 secs Computing kpt #: 195 total cpu time spent up to now is 48.4 secs Computing kpt #: 196 total cpu time spent up to now is 48.7 secs Computing kpt #: 197 total cpu time spent up to now is 48.9 secs Computing kpt #: 198 total cpu time spent up to now is 49.1 secs Computing kpt #: 199 total cpu time spent up to now is 49.3 secs Computing kpt #: 200 total cpu time spent up 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to now is 59.4 secs Computing kpt #: 247 total cpu time spent up to now is 59.6 secs Computing kpt #: 248 total cpu time spent up to now is 59.8 secs Computing kpt #: 249 total cpu time spent up to now is 60.0 secs Computing kpt #: 250 total cpu time spent up to now is 60.2 secs Computing kpt #: 251 total cpu time spent up to now is 60.4 secs Computing kpt #: 252 total cpu time spent up to now is 60.6 secs Computing kpt #: 253 total cpu time spent up to now is 60.8 secs Computing kpt #: 254 total cpu time spent up to now is 61.1 secs Computing kpt #: 255 total cpu time spent up to now is 61.3 secs Computing kpt #: 256 total cpu time spent up to now is 61.5 secs Computing kpt #: 257 total cpu time spent up to now is 61.7 secs Computing kpt #: 258 total cpu time spent up to now is 61.9 secs Computing kpt #: 259 total cpu time spent up to now is 62.1 secs Computing kpt #: 260 total cpu time spent up to now is 62.4 secs Computing kpt #: 261 total cpu time spent up to now is 62.6 secs Computing kpt #: 262 total cpu time spent up to now is 62.8 secs Computing kpt #: 263 total cpu time spent up to now is 63.1 secs Computing kpt #: 264 total cpu time spent up to now is 63.4 secs Computing kpt #: 265 total cpu time spent up to now is 63.6 secs Computing kpt #: 266 total cpu time spent up to now is 63.9 secs Computing kpt #: 267 total cpu time spent up to now is 64.1 secs Computing kpt #: 268 total cpu time spent up to now is 64.4 secs Computing kpt #: 269 total cpu time spent up to now is 64.7 secs Computing kpt #: 270 total cpu time spent up to now is 65.0 secs Computing kpt #: 271 total cpu time spent up to now is 65.2 secs Computing kpt #: 272 total cpu time spent up to now is 65.5 secs Computing kpt #: 273 total cpu time spent up to now is 65.8 secs Computing kpt #: 274 total cpu time spent up to now is 66.1 secs Computing kpt #: 275 total cpu time spent up to now is 66.3 secs Computing kpt #: 276 total cpu time spent up to now is 66.6 secs Computing kpt #: 277 total cpu time spent up to now is 66.8 secs Computing kpt #: 278 total cpu time spent up to now is 67.1 secs Computing kpt #: 279 total cpu time spent up to now is 67.4 secs Computing kpt #: 280 total cpu time spent up to now is 67.6 secs Computing kpt #: 281 total cpu time spent up to now is 67.9 secs Computing kpt #: 282 total cpu time spent up to now is 68.1 secs Computing kpt #: 283 total cpu time spent up to now is 68.3 secs Computing kpt #: 284 total cpu time spent up to now is 68.6 secs Computing kpt #: 285 total cpu time spent up to now is 68.8 secs Computing kpt #: 286 total cpu time spent up to now is 69.0 secs Computing kpt #: 287 total cpu time spent up to now is 69.2 secs Computing kpt #: 288 total cpu time spent up to now is 69.5 secs Computing kpt #: 289 total cpu time spent up to now is 69.7 secs Computing kpt #: 290 total cpu time spent up to now is 69.9 secs Computing kpt #: 291 total cpu time spent up to now is 70.1 secs Computing kpt #: 292 total cpu time spent up to now is 70.4 secs Computing kpt #: 293 total cpu time spent up to now is 70.6 secs Computing kpt #: 294 total cpu time spent up to now is 70.8 secs Computing kpt #: 295 total cpu time spent up to now is 71.0 secs Computing kpt #: 296 total cpu time spent up to now is 71.2 secs Computing kpt #: 297 total cpu time spent up to now is 71.4 secs Computing kpt #: 298 total cpu time spent up to now is 71.6 secs Computing kpt #: 299 total cpu time spent up to now is 71.8 secs Computing kpt #: 300 total cpu time spent up to now is 72.0 secs Computing kpt #: 301 total cpu time spent up to now is 72.2 secs Computing kpt #: 302 total cpu time spent up to now is 72.4 secs Computing kpt #: 303 total cpu time spent up to now is 72.6 secs Computing kpt #: 304 total cpu time spent up to now is 72.8 secs Computing kpt #: 305 total cpu time spent up to now is 73.0 secs Computing kpt #: 306 total cpu time spent up to now is 73.2 secs Computing kpt #: 307 total cpu time spent up to now is 73.4 secs Computing kpt #: 308 total cpu time spent up to now is 73.6 secs Computing kpt #: 309 total cpu time spent up to now is 73.8 secs Computing kpt #: 310 total cpu time spent up to now is 74.0 secs Computing kpt #: 311 total cpu time spent up to now is 74.2 secs Computing kpt #: 312 total cpu time spent up to now is 74.5 secs Computing kpt #: 313 total cpu time spent up to now is 74.7 secs Computing kpt #: 314 total cpu time spent up to now is 74.9 secs Computing kpt #: 315 total cpu time spent up to now is 75.2 secs Computing kpt #: 316 total cpu time spent up to now is 75.4 secs Computing kpt #: 317 total cpu time spent up to now is 75.6 secs Computing kpt #: 318 total cpu time spent up to now is 75.8 secs Computing kpt #: 319 total cpu time spent up to now is 75.9 secs Computing kpt #: 320 total cpu time spent up to now is 76.1 secs Computing kpt #: 321 total cpu time spent up to now is 76.3 secs Computing kpt #: 322 total cpu time spent up to now is 76.5 secs Computing kpt #: 323 total cpu time spent up to now is 76.7 secs Computing kpt #: 324 total cpu time spent up to now is 76.9 secs Computing kpt #: 325 total cpu time spent up to now is 77.1 secs Computing kpt #: 326 total cpu time spent up to now is 77.4 secs Computing kpt #: 327 total cpu time spent up to now is 77.6 secs Computing kpt #: 328 total cpu time spent up to now is 77.9 secs Computing kpt #: 329 total cpu time spent up to now is 78.1 secs Computing kpt #: 330 total cpu time spent up to now is 78.4 secs Computing kpt #: 331 total cpu time spent up to now is 78.7 secs Computing kpt #: 332 total cpu time spent up to now is 78.9 secs Computing kpt #: 333 total cpu time spent up to now is 79.2 secs Computing kpt #: 334 total cpu time spent up to now is 79.4 secs Computing kpt #: 335 total cpu time spent up to now is 79.7 secs Computing kpt #: 336 total cpu time spent up to now is 79.9 secs Computing kpt #: 337 total cpu time spent up to now is 80.1 secs Computing kpt #: 338 total cpu time spent up to now is 80.4 secs Computing kpt #: 339 total cpu time spent up to now is 80.6 secs Computing kpt #: 340 total cpu time spent up to now is 80.9 secs Computing kpt #: 341 total cpu time spent up to now is 81.1 secs Computing kpt #: 342 total cpu time spent up to now is 81.4 secs Computing kpt #: 343 total cpu time spent up to now is 81.7 secs Computing kpt #: 344 total cpu time spent up to now is 81.9 secs Computing kpt #: 345 total cpu time spent up to now is 82.2 secs Computing kpt #: 346 total cpu time spent up to now is 82.5 secs Computing kpt #: 347 total cpu time spent up to now is 82.8 secs Computing kpt #: 348 total cpu time spent up to now is 83.0 secs Computing kpt #: 349 total cpu time spent up to now is 83.3 secs Computing kpt #: 350 total cpu time spent up to now is 83.6 secs Computing kpt #: 351 total cpu time spent up to now is 83.9 secs Computing kpt #: 352 total cpu time spent up to now is 84.2 secs Computing kpt #: 353 total cpu time spent up to now is 84.5 secs Computing kpt #: 354 total cpu time spent up to now is 84.8 secs Computing kpt #: 355 total cpu time spent up to now is 85.0 secs Computing kpt #: 356 total cpu time spent up to now is 85.3 secs ethr = 2.78E-08, avg # of iterations = 19.2 total cpu time spent up to now is 85.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1759 PWs) bands (ev): -2.8810 -2.8810 -2.8810 -2.8810 -2.8161 -2.8161 -2.8161 -2.8161 -2.4642 -2.4642 -2.4023 -2.4023 -2.4023 -2.4023 -2.2700 -2.2700 -2.2156 -2.2156 -2.2156 -2.2156 1.1140 1.1140 6.8906 6.8906 6.8906 6.8906 7.4983 7.4983 9.0204 9.0204 9.0204 9.0204 12.4578 12.4578 16.2871 16.2871 17.4241 17.4241 17.4241 17.4241 17.7223 17.7223 17.9882 17.9882 k = 0.0093-0.0053 0.0076 ( 1723 PWs) bands (ev): -2.8810 -2.8810 -2.8809 -2.8809 -2.8158 -2.8158 -2.8158 -2.8158 -2.4638 -2.4638 -2.4023 -2.4023 -2.4022 -2.4022 -2.2700 -2.2700 -2.2155 -2.2155 -2.2153 -2.2153 1.1156 1.1156 6.8896 6.8896 6.8911 6.8911 7.4980 7.4980 9.0196 9.0196 9.0203 9.0203 12.4606 12.4606 16.2655 16.2655 17.4033 17.4033 17.4227 17.4227 17.6621 17.6621 17.9939 17.9939 k = 0.0185-0.0107 0.0151 ( 1723 PWs) bands (ev): -2.8809 -2.8809 -2.8805 -2.8805 -2.8159 -2.8159 -2.8158 -2.8158 -2.4637 -2.4637 -2.4022 -2.4022 -2.4022 -2.4022 -2.2701 -2.2701 -2.2161 -2.2161 -2.2154 -2.2154 1.1205 1.1205 6.8867 6.8867 6.8926 6.8926 7.4969 7.4969 9.0171 9.0171 9.0202 9.0202 12.4691 12.4691 16.2034 16.2034 17.3227 17.3227 17.4111 17.4111 17.5939 17.5939 18.0134 18.0134 k = 0.0278-0.0160 0.0227 ( 1731 PWs) bands (ev): -2.8808 -2.8808 -2.8800 -2.8800 -2.8160 -2.8160 -2.8157 -2.8157 -2.4636 -2.4636 -2.4022 -2.4022 -2.4021 -2.4021 -2.2703 -2.2703 -2.2171 -2.2171 -2.2154 -2.2154 1.1286 1.1286 6.8817 6.8817 6.8950 6.8950 7.4952 7.4952 9.0131 9.0131 9.0200 9.0200 12.4830 12.4830 16.1095 16.1095 17.1842 17.1842 17.3755 17.3755 17.5723 17.5723 18.0529 18.0529 k = 0.0370-0.0214 0.0302 ( 1731 PWs) bands (ev): -2.8806 -2.8806 -2.8792 -2.8792 -2.8161 -2.8161 -2.8156 -2.8156 -2.4634 -2.4634 -2.4021 -2.4021 -2.4019 -2.4019 -2.2705 -2.2705 -2.2184 -2.2184 -2.2155 -2.2155 1.1400 1.1400 6.8746 6.8746 6.8985 6.8985 7.4932 7.4932 9.0074 9.0074 9.0197 9.0197 12.5023 12.5023 15.9926 15.9926 17.0206 17.0206 17.3072 17.3072 17.5756 17.5756 18.1115 18.1115 k = 0.0463-0.0267 0.0378 ( 1739 PWs) bands (ev): -2.8805 -2.8805 -2.8782 -2.8782 -2.8163 -2.8163 -2.8155 -2.8155 -2.4631 -2.4631 -2.4021 -2.4021 -2.4017 -2.4017 -2.2708 -2.2708 -2.2202 -2.2202 -2.2155 -2.2155 1.1546 1.1546 6.8653 6.8653 6.9029 6.9029 7.4909 7.4909 9.0001 9.0001 9.0194 9.0194 12.5268 12.5268 15.8598 15.8598 16.8483 16.8483 17.2069 17.2069 17.5906 17.5906 18.1791 18.1791 k = 0.0556-0.0321 0.0454 ( 1739 PWs) bands (ev): -2.8802 -2.8802 -2.8769 -2.8769 -2.8165 -2.8165 -2.8154 -2.8154 -2.4628 -2.4628 -2.4020 -2.4020 -2.4014 -2.4014 -2.2710 -2.2710 -2.2223 -2.2223 -2.2156 -2.2156 1.1724 1.1724 6.8536 6.8536 6.9083 6.9083 7.4888 7.4888 8.9913 8.9913 9.0192 9.0192 12.5561 12.5561 15.7161 15.7161 16.6730 16.6730 17.0798 17.0798 17.6133 17.6133 18.2312 18.2312 k = 0.0648-0.0374 0.0529 ( 1739 PWs) bands (ev): -2.8799 -2.8799 -2.8755 -2.8755 -2.8168 -2.8168 -2.8153 -2.8153 -2.4624 -2.4624 -2.4019 -2.4019 -2.4010 -2.4010 -2.2714 -2.2714 -2.2247 -2.2247 -2.2157 -2.2157 1.1935 1.1935 6.8394 6.8394 6.9147 6.9147 7.4870 7.4870 8.9809 8.9809 9.0190 9.0190 12.5899 12.5899 15.5650 15.5650 16.4967 16.4967 16.9313 16.9313 17.6421 17.6421 18.1955 18.1955 k = 0.0741-0.0428 0.0605 ( 1739 PWs) bands (ev): -2.8795 -2.8795 -2.8738 -2.8738 -2.8170 -2.8170 -2.8152 -2.8152 -2.4620 -2.4620 -2.4017 -2.4017 -2.4006 -2.4006 -2.2717 -2.2717 -2.2275 -2.2275 -2.2159 -2.2159 1.2178 1.2178 6.8227 6.8227 6.9221 6.9221 7.4860 7.4860 8.9689 8.9689 9.0189 9.0189 12.6279 12.6279 15.4087 15.4087 16.3205 16.3205 16.7659 16.7659 17.6765 17.6765 18.1205 18.1205 k = 0.0833-0.0481 0.0680 ( 1735 PWs) bands (ev): -2.8791 -2.8791 -2.8719 -2.8719 -2.8174 -2.8174 -2.8151 -2.8151 -2.4615 -2.4615 -2.4015 -2.4015 -2.4000 -2.4000 -2.2721 -2.2721 -2.2307 -2.2307 -2.2160 -2.2160 1.2453 1.2453 6.8034 6.8034 6.9304 6.9304 7.4860 7.4860 8.9554 8.9554 9.0190 9.0190 12.6698 12.6698 15.2488 15.2488 16.1449 16.1449 16.5872 16.5872 17.7164 17.7164 18.0388 18.0388 k = 0.0926-0.0535 0.0756 ( 1735 PWs) bands (ev): -2.8787 -2.8787 -2.8699 -2.8699 -2.8177 -2.8177 -2.8149 -2.8149 -2.4609 -2.4609 -2.4014 -2.4014 -2.3995 -2.3995 -2.2726 -2.2726 -2.2342 -2.2342 -2.2162 -2.2162 1.2761 1.2761 6.7814 6.7814 6.9398 6.9398 7.4872 7.4872 8.9404 8.9404 9.0193 9.0193 12.7150 12.7150 15.0862 15.0862 15.9703 15.9703 16.3982 16.3982 17.7616 17.7616 17.9550 17.9550 k = 0.1019-0.0588 0.0832 ( 1731 PWs) bands (ev): -2.8782 -2.8782 -2.8677 -2.8677 -2.8181 -2.8181 -2.8148 -2.8148 -2.4603 -2.4603 -2.4012 -2.4012 -2.3988 -2.3988 -2.2730 -2.2730 -2.2379 -2.2379 -2.2163 -2.2163 1.3101 1.3101 6.7568 6.7568 6.9501 6.9501 7.4900 7.4900 8.9240 8.9240 9.0198 9.0198 12.7631 12.7631 14.9218 14.9218 15.7968 15.7968 16.2010 16.2010 17.8122 17.8122 17.8710 17.8710 k = 0.1111-0.0642 0.0907 ( 1732 PWs) bands (ev): -2.8776 -2.8776 -2.8654 -2.8654 -2.8185 -2.8185 -2.8147 -2.8147 -2.4597 -2.4597 -2.4010 -2.4010 -2.3981 -2.3981 -2.2736 -2.2736 -2.2420 -2.2420 -2.2165 -2.2165 1.3474 1.3474 6.7297 6.7297 6.9614 6.9614 7.4944 7.4944 8.9061 8.9061 9.0206 9.0206 12.8138 12.8138 14.7559 14.7559 15.6246 15.6246 15.9977 15.9977 17.7877 17.7877 17.8681 17.8681 k = 0.1204-0.0695 0.0983 ( 1732 PWs) bands (ev): -2.8771 -2.8771 -2.8630 -2.8630 -2.8189 -2.8189 -2.8147 -2.8147 -2.4589 -2.4589 -2.4008 -2.4008 -2.3972 -2.3972 -2.2742 -2.2742 -2.2463 -2.2463 -2.2167 -2.2167 1.3878 1.3878 6.7001 6.7001 6.9736 6.9736 7.5006 7.5006 8.8868 8.8868 9.0217 9.0217 12.8666 12.8666 14.5889 14.5889 15.4539 15.4539 15.7899 15.7899 17.7062 17.7062 17.9295 17.9295 k = 0.1296-0.0748 0.1058 ( 1728 PWs) bands (ev): -2.8764 -2.8764 -2.8605 -2.8605 -2.8193 -2.8193 -2.8146 -2.8146 -2.4582 -2.4582 -2.4006 -2.4006 -2.3963 -2.3963 -2.2747 -2.2747 -2.2508 -2.2508 -2.2169 -2.2169 1.4314 1.4314 6.6683 6.6683 6.9868 6.9868 7.5086 7.5086 8.8662 8.8662 9.0231 9.0231 12.9210 12.9210 14.4210 14.4210 15.2847 15.2847 15.5790 15.5790 17.6268 17.6268 17.9964 17.9964 k = 0.1389-0.0802 0.1134 ( 1728 PWs) bands (ev): -2.8758 -2.8758 -2.8579 -2.8579 -2.8198 -2.8198 -2.8146 -2.8146 -2.4573 -2.4573 -2.4003 -2.4003 -2.3953 -2.3953 -2.2754 -2.2754 -2.2556 -2.2556 -2.2171 -2.2171 1.4783 1.4783 6.6345 6.6345 7.0009 7.0009 7.5186 7.5186 8.8442 8.8442 9.0249 9.0249 12.9765 12.9765 14.2522 14.2522 15.1172 15.1172 15.3663 15.3663 17.5501 17.5501 18.0689 18.0689 k = 0.1481-0.0855 0.1210 ( 1728 PWs) bands (ev): -2.8751 -2.8751 -2.8553 -2.8553 -2.8202 -2.8202 -2.8146 -2.8146 -2.4564 -2.4564 -2.4001 -2.4001 -2.3943 -2.3943 -2.2761 -2.2761 -2.2605 -2.2605 -2.2173 -2.2173 1.5283 1.5283 6.5989 6.5989 7.0160 7.0160 7.5306 7.5306 8.8210 8.8210 9.0270 9.0270 13.0328 13.0328 14.0827 14.0827 14.9515 14.9515 15.1528 15.1528 17.4763 17.4763 18.1470 18.1470 k = 0.1574-0.0909 0.1285 ( 1736 PWs) bands (ev): -2.8745 -2.8745 -2.8528 -2.8528 -2.8206 -2.8206 -2.8146 -2.8146 -2.4555 -2.4555 -2.4000 -2.4000 -2.3932 -2.3932 -2.2770 -2.2770 -2.2655 -2.2655 -2.2175 -2.2175 1.5815 1.5815 6.5617 6.5617 7.0319 7.0319 7.5445 7.5445 8.7966 8.7966 9.0295 9.0295 13.0894 13.0894 13.9122 13.9122 14.7876 14.7876 14.9397 14.9397 17.4056 17.4056 18.2307 18.2307 k = 0.1667-0.0962 0.1361 ( 1736 PWs) bands (ev): -2.8738 -2.8738 -2.8502 -2.8502 -2.8210 -2.8210 -2.8147 -2.8147 -2.4545 -2.4545 -2.3998 -2.3998 -2.3920 -2.3920 -2.2780 -2.2780 -2.2705 -2.2705 -2.2177 -2.2177 1.6379 1.6379 6.5233 6.5233 7.0488 7.0488 7.5603 7.5603 8.7709 8.7709 9.0323 9.0323 13.1458 13.1458 13.7409 13.7409 14.6259 14.6259 14.7278 14.7278 17.3382 17.3382 18.3202 18.3202 k = 0.1759-0.1016 0.1436 ( 1732 PWs) bands (ev): -2.8730 -2.8730 -2.8476 -2.8476 -2.8212 -2.8212 -2.8149 -2.8149 -2.4535 -2.4535 -2.3996 -2.3996 -2.3906 -2.3906 -2.2798 -2.2798 -2.2748 -2.2748 -2.2179 -2.2179 1.6975 1.6975 6.4837 6.4837 7.0664 7.0664 7.5781 7.5781 8.7441 8.7441 9.0355 9.0355 13.2015 13.2015 13.5684 13.5684 14.4664 14.4664 14.5181 14.5181 17.2741 17.2741 18.4154 18.4154 k = 0.1852-0.1069 0.1512 ( 1732 PWs) bands (ev): -2.8722 -2.8722 -2.8452 -2.8452 -2.8214 -2.8214 -2.8151 -2.8151 -2.4524 -2.4524 -2.3994 -2.3994 -2.3892 -2.3892 -2.2836 -2.2836 -2.2772 -2.2772 -2.2181 -2.2181 1.7602 1.7602 6.4434 6.4434 7.0848 7.0848 7.5977 7.5977 8.7163 8.7163 9.0391 9.0391 13.2559 13.2559 13.3946 13.3946 14.3096 14.3096 14.3113 14.3113 17.2134 17.2134 18.5163 18.5163 k = 0.1944-0.1123 0.1588 ( 1736 PWs) bands (ev): -2.8715 -2.8715 -2.8431 -2.8431 -2.8214 -2.8214 -2.8154 -2.8154 -2.4513 -2.4513 -2.3992 -2.3992 -2.3878 -2.3878 -2.2887 -2.2887 -2.2784 -2.2784 -2.2183 -2.2183 1.8260 1.8260 6.4025 6.4025 7.1039 7.1039 7.6190 7.6190 8.6874 8.6874 9.0430 9.0430 13.2195 13.2195 13.3081 13.3081 14.1083 14.1083 14.1561 14.1561 17.1561 17.1561 18.6229 18.6229 k = 0.2037-0.1176 0.1663 ( 1736 PWs) bands (ev): -2.8707 -2.8707 -2.8412 -2.8412 -2.8211 -2.8211 -2.8158 -2.8158 -2.4501 -2.4501 -2.3991 -2.3991 -2.3862 -2.3862 -2.2942 -2.2942 -2.2792 -2.2792 -2.2185 -2.2185 1.8950 1.8950 6.3611 6.3611 7.1237 7.1237 7.6422 7.6422 8.6575 8.6575 9.0472 9.0472 13.0429 13.0429 13.3564 13.3564 13.9097 13.9097 14.0074 14.0074 17.1021 17.1021 18.7352 18.7352 k = 0.2130-0.1230 0.1739 ( 1736 PWs) bands (ev): -2.8699 -2.8699 -2.8397 -2.8397 -2.8206 -2.8206 -2.8162 -2.8162 -2.4489 -2.4489 -2.3989 -2.3989 -2.3845 -2.3845 -2.2998 -2.2998 -2.2800 -2.2800 -2.2187 -2.2187 1.9671 1.9671 6.3197 6.3197 7.1440 7.1440 7.6671 7.6671 8.6266 8.6266 9.0518 9.0518 12.8647 12.8647 13.3971 13.3971 13.7160 13.7160 13.8670 13.8670 17.0515 17.0515 18.8530 18.8530 k = 0.2222-0.1283 0.1814 ( 1716 PWs) bands (ev): -2.8690 -2.8690 -2.8385 -2.8385 -2.8196 -2.8196 -2.8166 -2.8166 -2.4475 -2.4475 -2.3988 -2.3988 -2.3827 -2.3827 -2.3054 -2.3054 -2.2806 -2.2806 -2.2189 -2.2189 2.0422 2.0422 6.2782 6.2782 7.1647 7.1647 7.6937 7.6937 8.5949 8.5949 9.0568 9.0568 12.6852 12.6852 13.4195 13.4195 13.5277 13.5277 13.7456 13.7456 17.0041 17.0041 18.9763 18.9763 k = 0.2315-0.1336 0.1890 ( 1716 PWs) bands (ev): -2.8682 -2.8682 -2.8378 -2.8378 -2.8183 -2.8183 -2.8172 -2.8172 -2.4463 -2.4463 -2.3987 -2.3987 -2.3809 -2.3809 -2.3110 -2.3110 -2.2813 -2.2813 -2.2191 -2.2191 2.1205 2.1205 6.2370 6.2370 7.1857 7.1857 7.7219 7.7219 8.5624 8.5624 9.0620 9.0620 12.5044 12.5044 13.3451 13.3451 13.3951 13.3951 13.6713 13.6713 16.9599 16.9599 19.1050 19.1050 k = 0.2407-0.1390 0.1966 ( 1716 PWs) bands (ev): -2.8673 -2.8673 -2.8375 -2.8375 -2.8179 -2.8179 -2.8167 -2.8167 -2.4450 -2.4450 -2.3986 -2.3986 -2.3790 -2.3790 -2.3166 -2.3166 -2.2820 -2.2820 -2.2192 -2.2192 2.2017 2.2017 6.1961 6.1961 7.2068 7.2068 7.7516 7.7516 8.5292 8.5292 9.0676 9.0676 12.3227 12.3227 13.1682 13.1682 13.3064 13.3064 13.6619 13.6619 16.9188 16.9188 19.2389 19.2389 k = 0.2500-0.1443 0.2041 ( 1716 PWs) bands (ev): -2.8665 -2.8665 -2.8375 -2.8375 -2.8186 -2.8186 -2.8150 -2.8150 -2.4436 -2.4436 -2.3986 -2.3986 -2.3770 -2.3770 -2.3221 -2.3221 -2.2826 -2.2826 -2.2194 -2.2194 2.2860 2.2860 6.1558 6.1558 7.2277 7.2277 7.7830 7.7830 8.4953 8.4953 9.0735 9.0735 12.1407 12.1407 12.9970 12.9970 13.1842 13.1842 13.6862 13.6862 16.8807 16.8807 19.3777 19.3777 k = 0.2593-0.1497 0.2117 ( 1716 PWs) bands (ev): -2.8657 -2.8657 -2.8377 -2.8377 -2.8195 -2.8195 -2.8130 -2.8130 -2.4423 -2.4423 -2.3985 -2.3985 -2.3749 -2.3749 -2.3276 -2.3276 -2.2832 -2.2832 -2.2195 -2.2195 2.3733 2.3733 6.1160 6.1160 7.2482 7.2482 7.8158 7.8158 8.4608 8.4608 9.0798 9.0798 11.9590 11.9590 12.8315 12.8315 13.0515 13.0515 13.7213 13.7213 16.8454 16.8454 19.5213 19.5213 k = 0.2685-0.1550 0.2192 ( 1716 PWs) bands (ev): -2.8649 -2.8649 -2.8382 -2.8382 -2.8205 -2.8205 -2.8110 -2.8110 -2.4409 -2.4409 -2.3985 -2.3985 -2.3728 -2.3728 -2.3329 -2.3329 -2.2838 -2.2838 -2.2197 -2.2197 2.4636 2.4636 6.0771 6.0771 7.2678 7.2678 7.8500 7.8500 8.4260 8.4260 9.0864 9.0864 11.7783 11.7783 12.6714 12.6714 12.9160 12.9160 13.7594 13.7594 16.8130 16.8130 19.6695 19.6695 k = 0.2778-0.1604 0.2268 ( 1712 PWs) bands (ev): -2.8641 -2.8641 -2.8387 -2.8387 -2.8214 -2.8214 -2.8091 -2.8091 -2.4395 -2.4395 -2.3986 -2.3986 -2.3708 -2.3708 -2.3381 -2.3381 -2.2843 -2.2843 -2.2197 -2.2197 2.5568 2.5568 6.0390 6.0390 7.2862 7.2862 7.8856 7.8856 8.3909 8.3909 9.0933 9.0933 11.5996 11.5996 12.5165 12.5165 12.7804 12.7804 13.7980 13.7980 16.7832 16.7832 19.8219 19.8219 k = 0.2870-0.1657 0.2344 ( 1712 PWs) bands (ev): -2.8633 -2.8633 -2.8393 -2.8393 -2.8226 -2.8226 -2.8071 -2.8071 -2.4381 -2.4381 -2.3987 -2.3987 -2.3686 -2.3686 -2.3431 -2.3431 -2.2848 -2.2848 -2.2199 -2.2199 2.6529 2.6529 6.0020 6.0020 7.3027 7.3027 7.9224 7.9224 8.3559 8.3559 9.1006 9.1006 11.4236 11.4236 12.3665 12.3665 12.6458 12.6458 13.8359 13.8359 16.7559 16.7559 19.9783 19.9783 k = 0.2963-0.1711 0.2419 ( 1716 PWs) bands (ev): -2.8625 -2.8625 -2.8400 -2.8400 -2.8238 -2.8238 -2.8051 -2.8051 -2.4368 -2.4368 -2.3988 -2.3988 -2.3664 -2.3664 -2.3480 -2.3480 -2.2853 -2.2853 -2.2200 -2.2200 2.7519 2.7519 5.9660 5.9660 7.3166 7.3166 7.9605 7.9605 8.3214 8.3214 9.1083 9.1083 11.2512 11.2512 12.2212 12.2212 12.5128 12.5128 13.8726 13.8726 16.7309 16.7309 20.1382 20.1382 k = 0.3056-0.1764 0.2495 ( 1716 PWs) bands (ev): -2.8618 -2.8618 -2.8408 -2.8408 -2.8251 -2.8251 -2.8032 -2.8032 -2.4355 -2.4355 -2.3989 -2.3989 -2.3641 -2.3641 -2.3527 -2.3527 -2.2858 -2.2858 -2.2201 -2.2201 2.8536 2.8536 5.9311 5.9311 7.3269 7.3269 7.9997 7.9997 8.2877 8.2877 9.1164 9.1164 11.0834 11.0834 12.0803 12.0803 12.3818 12.3818 13.9077 13.9077 16.7082 16.7082 20.3013 20.3013 k = 0.3148-0.1818 0.2570 ( 1716 PWs) bands (ev): -2.8610 -2.8610 -2.8415 -2.8415 -2.8264 -2.8264 -2.8014 -2.8014 -2.4341 -2.4341 -2.3991 -2.3991 -2.3618 -2.3618 -2.3572 -2.3572 -2.2862 -2.2862 -2.2202 -2.2202 2.9582 2.9582 5.8975 5.8975 7.3326 7.3326 8.0398 8.0398 8.2557 8.2557 9.1249 9.1249 10.9212 10.9212 11.9436 11.9436 12.2529 12.2529 13.9413 13.9413 16.6877 16.6877 20.4672 20.4672 k = 0.3241-0.1871 0.2646 ( 1716 PWs) bands (ev): -2.8603 -2.8603 -2.8423 -2.8423 -2.8278 -2.8278 -2.7997 -2.7997 -2.4328 -2.4328 -2.3993 -2.3993 -2.3615 -2.3615 -2.3596 -2.3596 -2.2866 -2.2866 -2.2203 -2.2203 3.0654 3.0654 5.8652 5.8652 7.3322 7.3322 8.0808 8.0808 8.2259 8.2259 9.1339 9.1339 10.7654 10.7654 11.8111 11.8111 12.1264 12.1264 13.9731 13.9731 16.6692 16.6692 20.6353 20.6353 k = 0.3333-0.1925 0.2722 ( 1712 PWs) bands (ev): -2.8596 -2.8596 -2.8431 -2.8431 -2.8293 -2.8293 -2.7981 -2.7981 -2.4316 -2.4316 -2.3995 -2.3995 -2.3655 -2.3655 -2.3573 -2.3573 -2.2869 -2.2869 -2.2203 -2.2203 3.1753 3.1753 5.8343 5.8343 7.3244 7.3244 8.1226 8.1226 8.1994 8.1994 9.1434 9.1434 10.6170 10.6170 11.6825 11.6825 12.0024 12.0024 14.0031 14.0031 16.6526 16.6526 20.8052 20.8052 k = 0.3426-0.1978 0.2797 ( 1724 PWs) bands (ev): -2.8590 -2.8590 -2.8438 -2.8438 -2.8308 -2.8308 -2.7967 -2.7967 -2.4303 -2.4303 -2.3998 -2.3998 -2.3693 -2.3693 -2.3552 -2.3552 -2.2874 -2.2874 -2.2204 -2.2204 3.2878 3.2878 5.8048 5.8048 7.3076 7.3076 8.1648 8.1648 8.1771 8.1771 9.1536 9.1536 10.4770 10.4770 11.5578 11.5578 11.8811 11.8811 14.0313 14.0313 16.6377 16.6377 20.9762 20.9762 k = 0.3519-0.2031 0.2873 ( 1724 PWs) bands (ev): -2.8583 -2.8583 -2.8446 -2.8446 -2.8323 -2.8323 -2.7953 -2.7953 -2.4291 -2.4291 -2.4001 -2.4001 -2.3729 -2.3729 -2.3530 -2.3530 -2.2877 -2.2877 -2.2204 -2.2204 3.4028 3.4028 5.7767 5.7767 7.2803 7.2803 8.1597 8.1597 8.2073 8.2073 9.1644 9.1644 10.3461 10.3461 11.4370 11.4370 11.7626 11.7626 14.0578 14.0578 16.6244 16.6244 21.1054 21.1476 k = 0.3611-0.2085 0.2948 ( 1720 PWs) bands (ev): -2.8577 -2.8577 -2.8453 -2.8453 -2.8338 -2.8338 -2.7940 -2.7940 -2.4280 -2.4280 -2.4004 -2.4004 -2.3761 -2.3761 -2.3509 -2.3509 -2.2880 -2.2880 -2.2205 -2.2205 3.5203 3.5203 5.7502 5.7502 7.2417 7.2417 8.1477 8.1477 8.2500 8.2500 9.1761 9.1761 10.2251 10.2251 11.3201 11.3201 11.6472 11.6472 14.0825 14.0825 16.6127 16.6127 21.2327 21.2327 k = 0.3704-0.2138 0.3024 ( 1720 PWs) bands (ev): -2.8571 -2.8571 -2.8461 -2.8461 -2.8353 -2.8353 -2.7928 -2.7928 -2.4269 -2.4269 -2.4007 -2.4007 -2.3791 -2.3791 -2.3488 -2.3488 -2.2882 -2.2882 -2.2205 -2.2205 3.6400 3.6400 5.7252 5.7252 7.1912 7.1912 8.1412 8.1412 8.2924 8.2924 9.1886 9.1886 10.1147 10.1147 11.2072 11.2072 11.5350 11.5350 14.1055 14.1055 16.6023 16.6023 21.3604 21.3604 k = 0.3796-0.2192 0.3100 ( 1720 PWs) bands (ev): -2.8566 -2.8566 -2.8467 -2.8467 -2.8368 -2.8368 -2.7917 -2.7917 -2.4258 -2.4258 -2.4011 -2.4011 -2.3820 -2.3820 -2.3468 -2.3468 -2.2884 -2.2884 -2.2205 -2.2205 3.7619 3.7619 5.7018 5.7018 7.1287 7.1287 8.1398 8.1398 8.3343 8.3343 9.2021 9.2021 10.0156 10.0156 11.0983 11.0983 11.4263 11.4263 14.1267 14.1267 16.5932 16.5932 21.4879 21.4879 k = 0.3889-0.2245 0.3175 ( 1720 PWs) bands (ev): -2.8561 -2.8561 -2.8473 -2.8473 -2.8383 -2.8383 -2.7906 -2.7906 -2.4248 -2.4248 -2.4015 -2.4015 -2.3845 -2.3845 -2.3449 -2.3449 -2.2886 -2.2886 -2.2205 -2.2205 3.8859 3.8859 5.6801 5.6801 7.0549 7.0549 8.1427 8.1427 8.3753 8.3753 9.2166 9.2166 9.9278 9.9278 10.9935 10.9935 11.3213 11.3213 14.1462 14.1462 16.5853 16.5853 21.6146 21.6146 k = 0.3981-0.2299 0.3251 ( 1720 PWs) bands (ev): -2.8556 -2.8556 -2.8479 -2.8479 -2.8397 -2.8397 -2.7897 -2.7897 -2.4239 -2.4239 -2.4020 -2.4020 -2.3868 -2.3868 -2.3431 -2.3431 -2.2888 -2.2888 -2.2205 -2.2205 4.0118 4.0118 5.6599 5.6599 6.9705 6.9705 8.1490 8.1490 8.4150 8.4150 9.2324 9.2324 9.8517 9.8517 10.8931 10.8931 11.2203 11.2203 14.1640 14.1640 16.5783 16.5783 21.7399 21.7399 k = 0.4074-0.2352 0.3326 ( 1712 PWs) bands (ev): -2.8550 -2.8550 -2.8485 -2.8485 -2.8411 -2.8411 -2.7889 -2.7889 -2.4230 -2.4230 -2.4024 -2.4024 -2.3887 -2.3887 -2.3413 -2.3413 -2.2889 -2.2889 -2.2206 -2.2206 4.1393 4.1393 5.6415 5.6415 6.8767 6.8767 8.1577 8.1577 8.4530 8.4530 9.2494 9.2494 9.7872 9.7872 10.7974 10.7974 11.1237 11.1237 14.1802 14.1802 16.5723 16.5723 21.8629 21.8629 k = 0.4167-0.2406 0.3402 ( 1712 PWs) bands (ev): -2.8546 -2.8546 -2.8490 -2.8490 -2.8423 -2.8423 -2.7882 -2.7882 -2.4223 -2.4223 -2.4029 -2.4029 -2.3904 -2.3904 -2.3398 -2.3398 -2.2890 -2.2890 -2.2206 -2.2206 4.2682 4.2682 5.6248 5.6248 6.7747 6.7747 8.1679 8.1679 8.4889 8.4889 9.2675 9.2675 9.7340 9.7340 10.7067 10.7067 11.0320 11.0320 14.1948 14.1948 16.5672 16.5672 21.9826 21.9826 k = 0.4259-0.2459 0.3478 ( 1712 PWs) bands (ev): -2.8543 -2.8543 -2.8495 -2.8495 -2.8435 -2.8435 -2.7875 -2.7875 -2.4216 -2.4216 -2.4034 -2.4034 -2.3918 -2.3918 -2.3384 -2.3384 -2.2891 -2.2891 -2.2206 -2.2206 4.3982 4.3982 5.6097 5.6097 6.6659 6.6659 8.1787 8.1787 8.5222 8.5222 9.2868 9.2868 9.6915 9.6915 10.6214 10.6214 10.9458 10.9458 14.2078 14.2078 16.5629 16.5629 22.0977 22.0977 k = 0.4352-0.2513 0.3553 ( 1720 PWs) bands (ev): -2.8539 -2.8539 -2.8500 -2.8500 -2.8446 -2.8446 -2.7870 -2.7870 -2.4210 -2.4210 -2.4040 -2.4040 -2.3931 -2.3931 -2.3371 -2.3371 -2.2892 -2.2892 -2.2207 -2.2207 4.5287 4.5287 5.5964 5.5964 6.5516 6.5516 8.1894 8.1894 8.5525 8.5525 9.3068 9.3068 9.6591 9.6591 10.5421 10.5421 10.8657 10.8657 14.2191 14.2191 16.5592 16.5592 22.2068 22.2068 k = 0.4444-0.2566 0.3629 ( 1720 PWs) bands (ev): -2.8537 -2.8537 -2.8504 -2.8504 -2.8456 -2.8456 -2.7865 -2.7865 -2.4204 -2.4204 -2.4045 -2.4045 -2.3940 -2.3940 -2.3359 -2.3359 -2.2893 -2.2893 -2.2207 -2.2207 4.6590 4.6590 5.5849 5.5849 6.4336 6.4336 8.1995 8.1995 8.5794 8.5794 9.3272 9.3272 9.6357 9.6357 10.4695 10.4695 10.7926 10.7926 14.2290 14.2290 16.5562 16.5562 22.3083 22.3083 k = 0.4537-0.2619 0.3704 ( 1724 PWs) bands (ev): -2.8534 -2.8534 -2.8507 -2.8507 -2.8464 -2.8464 -2.7862 -2.7862 -2.4199 -2.4199 -2.4050 -2.4050 -2.3948 -2.3948 -2.3351 -2.3351 -2.2894 -2.2894 -2.2207 -2.2207 4.7881 4.7881 5.5751 5.5751 6.3135 6.3135 8.2085 8.2085 8.6026 8.6026 9.3472 9.3472 9.6202 9.6202 10.4046 10.4046 10.7276 10.7276 14.2372 14.2372 16.5537 16.5537 22.4000 22.4000 k = 0.4630-0.2673 0.3780 ( 1716 PWs) bands (ev): -2.8532 -2.8532 -2.8509 -2.8509 -2.8471 -2.8471 -2.7857 -2.7857 -2.4196 -2.4196 -2.4055 -2.4055 -2.3954 -2.3954 -2.3341 -2.3341 -2.2894 -2.2894 -2.2207 -2.2207 4.9141 4.9141 5.5671 5.5671 6.1940 6.1940 8.2161 8.2161 8.6219 8.6219 9.3660 9.3660 9.6111 9.6111 10.3485 10.3485 10.6717 10.6717 14.2440 14.2440 16.5518 16.5518 22.4799 22.4799 k = 0.4722-0.2726 0.3856 ( 1724 PWs) bands (ev): -2.8531 -2.8531 -2.8512 -2.8512 -2.8477 -2.8477 -2.7855 -2.7855 -2.4194 -2.4194 -2.4059 -2.4059 -2.3958 -2.3958 -2.3335 -2.3335 -2.2894 -2.2894 -2.2207 -2.2207 5.0337 5.0337 5.5608 5.5608 6.0789 6.0789 8.2222 8.2222 8.6370 8.6370 9.3824 9.3824 9.6068 9.6068 10.3025 10.3025 10.6263 10.6263 14.2492 14.2492 16.5502 16.5502 22.5453 22.5453 k = 0.4815-0.2780 0.3931 ( 1724 PWs) bands (ev): -2.8529 -2.8529 -2.8514 -2.8514 -2.8481 -2.8481 -2.7853 -2.7853 -2.4191 -2.4191 -2.4062 -2.4062 -2.3961 -2.3961 -2.3330 -2.3330 -2.2894 -2.2894 -2.2207 -2.2207 5.1401 5.1401 5.5563 5.5563 5.9754 5.9754 8.2266 8.2266 8.6478 8.6478 9.3953 9.3953 9.6054 9.6054 10.2681 10.2681 10.5927 10.5927 14.2530 14.2530 16.5492 16.5492 22.5942 22.5942 k = 0.4907-0.2833 0.4007 ( 1724 PWs) bands (ev): -2.8529 -2.8529 -2.8515 -2.8515 -2.8483 -2.8483 -2.7852 -2.7852 -2.4190 -2.4190 -2.4063 -2.4063 -2.3963 -2.3963 -2.3327 -2.3327 -2.2895 -2.2895 -2.2207 -2.2207 5.2200 5.2200 5.5537 5.5537 5.8971 5.8971 8.2293 8.2293 8.6544 8.6544 9.4035 9.4035 9.6054 9.6054 10.2468 10.2468 10.5720 10.5720 14.2552 14.2552 16.5486 16.5486 22.6244 22.6244 k = 0.5000-0.2887 0.4082 ( 1724 PWs) bands (ev): -2.8529 -2.8529 -2.8515 -2.8515 -2.8484 -2.8484 -2.7852 -2.7852 -2.4190 -2.4190 -2.4064 -2.4064 -2.3964 -2.3964 -2.3326 -2.3326 -2.2895 -2.2895 -2.2207 -2.2207 5.2512 5.2512 5.5528 5.5528 5.8664 5.8664 8.2302 8.2302 8.6566 8.6566 9.4063 9.4063 9.6056 9.6056 10.2395 10.2395 10.5649 10.5649 14.2560 14.2560 16.5484 16.5484 22.6347 22.6347 k = 0.5000-0.2887 0.4082 ( 1724 PWs) bands (ev): -2.8529 -2.8529 -2.8515 -2.8515 -2.8484 -2.8484 -2.7852 -2.7852 -2.4190 -2.4190 -2.4064 -2.4064 -2.3964 -2.3964 -2.3326 -2.3326 -2.2895 -2.2895 -2.2207 -2.2207 5.2512 5.2512 5.5528 5.5528 5.8664 5.8664 8.2302 8.2302 8.6566 8.6566 9.4063 9.4063 9.6056 9.6056 10.2395 10.2395 10.5649 10.5649 14.2560 14.2560 16.5484 16.5484 22.6347 22.6347 k = 0.5000-0.2780 0.4158 ( 1724 PWs) bands (ev): -2.8530 -2.8530 -2.8514 -2.8514 -2.8483 -2.8483 -2.7852 -2.7852 -2.4189 -2.4189 -2.4064 -2.4064 -2.3963 -2.3963 -2.3326 -2.3326 -2.2896 -2.2896 -2.2209 -2.2209 5.2513 5.2513 5.5524 5.5524 5.8680 5.8680 8.2302 8.2302 8.6559 8.6559 9.4040 9.4040 9.5976 9.5976 10.2451 10.2451 10.5670 10.5670 14.2612 14.2612 16.5531 16.5531 22.6045 22.6045 k = 0.5000-0.2673 0.4234 ( 1724 PWs) bands (ev): -2.8533 -2.8533 -2.8511 -2.8511 -2.8478 -2.8478 -2.7853 -2.7853 -2.4188 -2.4188 -2.4064 -2.4064 -2.3962 -2.3962 -2.3325 -2.3325 -2.2899 -2.2899 -2.2213 -2.2213 5.2516 5.2516 5.5512 5.5512 5.8729 5.8729 8.2304 8.2304 8.6540 8.6540 9.3959 9.3959 9.5761 9.5761 10.2595 10.2595 10.5737 10.5737 14.2768 14.2768 16.5669 16.5669 22.5132 22.5132 k = 0.5000-0.2566 0.4309 ( 1720 PWs) bands (ev): -2.8537 -2.8537 -2.8506 -2.8506 -2.8472 -2.8472 -2.7854 -2.7854 -2.4187 -2.4187 -2.4064 -2.4064 -2.3961 -2.3961 -2.3324 -2.3324 -2.2903 -2.2903 -2.2219 -2.2219 5.2522 5.2522 5.5492 5.5492 5.8810 5.8810 8.2306 8.2306 8.6507 8.6507 9.3794 9.3794 9.5481 9.5481 10.2769 10.2769 10.5871 10.5871 14.3027 14.3027 16.5901 16.5901 22.3660 22.3660 k = 0.5000-0.2459 0.4385 ( 1720 PWs) bands (ev): -2.8540 -2.8540 -2.8501 -2.8501 -2.8463 -2.8463 -2.7855 -2.7855 -2.4185 -2.4185 -2.4063 -2.4063 -2.3958 -2.3958 -2.3322 -2.3322 -2.2910 -2.2910 -2.2228 -2.2228 5.2529 5.2529 5.5464 5.5464 5.8924 5.8924 8.2304 8.2304 8.6459 8.6459 9.3505 9.3505 9.5222 9.5222 10.2911 10.2911 10.6093 10.6093 14.3387 14.3387 16.6225 16.6225 22.1811 22.1811 k = 0.5000-0.2352 0.4460 ( 1716 PWs) bands (ev): -2.8543 -2.8543 -2.8495 -2.8495 -2.8453 -2.8453 -2.7857 -2.7857 -2.4182 -2.4182 -2.4062 -2.4062 -2.3956 -2.3956 -2.3320 -2.3320 -2.2919 -2.2919 -2.2239 -2.2239 5.2539 5.2539 5.5429 5.5429 5.9069 5.9069 8.2296 8.2296 8.6396 8.6396 9.3081 9.3081 9.5037 9.5037 10.2976 10.2976 10.6414 10.6414 14.3845 14.3845 16.6640 16.6640 21.9755 21.9755 k = 0.5000-0.2245 0.4536 ( 1712 PWs) bands (ev): -2.8546 -2.8546 -2.8487 -2.8487 -2.8442 -2.8442 -2.7859 -2.7859 -2.4179 -2.4179 -2.4060 -2.4060 -2.3952 -2.3952 -2.3317 -2.3317 -2.2928 -2.2928 -2.2254 -2.2254 5.2551 5.2551 5.5386 5.5386 5.9247 5.9247 8.2274 8.2274 8.6316 8.6316 9.2556 9.2556 9.4928 9.4928 10.2950 10.2950 10.6824 10.6824 14.4399 14.4399 16.7147 16.7147 21.7586 21.7586 k = 0.5000-0.2138 0.4612 ( 1708 PWs) bands (ev): -2.8549 -2.8549 -2.8479 -2.8479 -2.8430 -2.8430 -2.7861 -2.7861 -2.4178 -2.4178 -2.4058 -2.4058 -2.3948 -2.3948 -2.3313 -2.3313 -2.2939 -2.2939 -2.2270 -2.2270 5.2566 5.2566 5.5336 5.5336 5.9457 5.9457 8.2230 8.2230 8.6219 8.6219 9.1982 9.1982 9.4868 9.4868 10.2841 10.2841 10.7298 10.7298 14.5044 14.5044 16.7744 16.7744 21.5351 21.5351 k = 0.5000-0.2031 0.4687 ( 1708 PWs) bands (ev): -2.8551 -2.8551 -2.8470 -2.8470 -2.8417 -2.8417 -2.7864 -2.7864 -2.4176 -2.4176 -2.4054 -2.4054 -2.3943 -2.3943 -2.3310 -2.3310 -2.2952 -2.2952 -2.2289 -2.2289 5.2584 5.2584 5.5280 5.5280 5.9698 5.9698 8.2152 8.2152 8.6106 8.6106 9.1403 9.1403 9.4840 9.4840 10.2666 10.2666 10.7809 10.7809 14.5778 14.5778 16.8431 16.8431 21.3080 21.3080 k = 0.5000-0.1925 0.4763 ( 1712 PWs) bands (ev): -2.8553 -2.8553 -2.8461 -2.8461 -2.8403 -2.8403 -2.7868 -2.7868 -2.4176 -2.4176 -2.4048 -2.4048 -2.3938 -2.3938 -2.3306 -2.3306 -2.2966 -2.2966 -2.2311 -2.2311 5.2604 5.2604 5.5217 5.5217 5.9970 5.9970 8.2026 8.2026 8.5982 8.5982 9.0850 9.0850 9.4832 9.4832 10.2440 10.2440 10.8338 10.8338 14.6596 14.6596 16.9207 16.9207 21.0789 21.0789 k = 0.5000-0.1818 0.4838 ( 1708 PWs) bands (ev): -2.8555 -2.8555 -2.8450 -2.8450 -2.8388 -2.8388 -2.7872 -2.7872 -2.4176 -2.4176 -2.4042 -2.4042 -2.3932 -2.3932 -2.3302 -2.3302 -2.2980 -2.2980 -2.2334 -2.2334 5.2627 5.2627 5.5149 5.5149 6.0274 6.0274 8.1834 8.1834 8.5857 8.5857 9.0346 9.0346 9.4837 9.4837 10.2176 10.2176 10.8867 10.8867 14.7495 14.7495 17.0070 17.0070 20.8490 20.8490 k = 0.5000-0.1711 0.4914 ( 1708 PWs) bands (ev): -2.8556 -2.8556 -2.8439 -2.8439 -2.8373 -2.8373 -2.7877 -2.7877 -2.4177 -2.4177 -2.4033 -2.4033 -2.3925 -2.3925 -2.3299 -2.3299 -2.2996 -2.2996 -2.2359 -2.2359 5.2653 5.2653 5.5075 5.5075 6.0608 6.0608 8.1557 8.1557 8.5742 8.5742 8.9904 8.9904 9.4853 9.4853 10.1882 10.1882 10.9386 10.9386 14.8471 14.8471 17.1019 17.1019 20.6191 20.6191 k = 0.5000-0.1604 0.4990 ( 1708 PWs) bands (ev): -2.8557 -2.8557 -2.8428 -2.8428 -2.8357 -2.8357 -2.7882 -2.7882 -2.4179 -2.4179 -2.4024 -2.4024 -2.3917 -2.3917 -2.3296 -2.3296 -2.3010 -2.3010 -2.2386 -2.2386 5.2682 5.2682 5.4997 5.4997 6.0973 6.0973 8.1185 8.1185 8.5652 8.5652 8.9528 8.9528 9.4878 9.4878 10.1567 10.1567 10.9887 10.9887 14.9521 14.9521 17.2053 17.2053 20.3899 20.3899 k = 0.5000-0.1497 0.5065 ( 1704 PWs) bands (ev): -2.8558 -2.8558 -2.8416 -2.8416 -2.8341 -2.8341 -2.7887 -2.7887 -2.4181 -2.4181 -2.4013 -2.4013 -2.3908 -2.3908 -2.3295 -2.3295 -2.3024 -2.3024 -2.2414 -2.2414 5.2714 5.2714 5.4914 5.4914 6.1368 6.1368 8.0714 8.0714 8.5596 8.5596 8.9216 8.9216 9.4910 9.4910 10.1237 10.1237 11.0364 11.0364 15.0641 15.0641 17.3170 17.3170 20.1618 20.1618 k = 0.5000-0.1390 0.5141 ( 1712 PWs) bands (ev): -2.8559 -2.8559 -2.8404 -2.8404 -2.8325 -2.8325 -2.7894 -2.7894 -2.4185 -2.4185 -2.4002 -2.4002 -2.3898 -2.3898 -2.3295 -2.3295 -2.3037 -2.3037 -2.2444 -2.2444 5.2750 5.2750 5.4828 5.4828 6.1792 6.1792 8.0151 8.0151 8.5580 8.5580 8.8959 8.8959 9.4950 9.4950 10.0897 10.0897 11.0814 11.0814 15.1828 15.1828 17.4367 17.4367 19.9351 19.9351 k = 0.5000-0.1283 0.5217 ( 1708 PWs) bands (ev): -2.8559 -2.8559 -2.8391 -2.8391 -2.8307 -2.8307 -2.7901 -2.7901 -2.4188 -2.4188 -2.3991 -2.3991 -2.3886 -2.3886 -2.3298 -2.3298 -2.3047 -2.3047 -2.2475 -2.2475 5.2789 5.2789 5.4739 5.4739 6.2245 6.2245 7.9510 7.9510 8.5599 8.5599 8.8749 8.8749 9.4997 9.4997 10.0552 10.0552 11.1235 11.1235 15.3078 15.3078 17.5643 17.5643 19.7104 19.7104 k = 0.5000-0.1176 0.5292 ( 1708 PWs) bands (ev): -2.8560 -2.8560 -2.8380 -2.8380 -2.8290 -2.8290 -2.7908 -2.7908 -2.4191 -2.4191 -2.3980 -2.3980 -2.3872 -2.3872 -2.3305 -2.3305 -2.3053 -2.3053 -2.2507 -2.2507 5.2832 5.2832 5.4647 5.4647 6.2725 6.2725 7.8807 7.8807 8.5649 8.5649 8.8575 8.8575 9.5052 9.5052 10.0204 10.0204 11.1623 11.1623 15.4390 15.4390 17.6994 17.6994 19.4878 19.4878 k = 0.5000-0.1069 0.5368 ( 1716 PWs) bands (ev): -2.8560 -2.8560 -2.8369 -2.8369 -2.8273 -2.8273 -2.7917 -2.7917 -2.4195 -2.4195 -2.3971 -2.3971 -2.3857 -2.3857 -2.3315 -2.3315 -2.3055 -2.3055 -2.2541 -2.2541 5.2878 5.2878 5.4553 5.4553 6.3233 6.3233 7.8060 7.8060 8.5724 8.5724 8.8429 8.8429 9.5114 9.5114 9.9860 9.9860 11.1979 11.1979 15.5760 15.5760 17.8418 17.8418 19.2675 19.2675 k = 0.5000-0.0962 0.5443 ( 1722 PWs) bands (ev): -2.8561 -2.8561 -2.8359 -2.8359 -2.8255 -2.8255 -2.7925 -2.7925 -2.4199 -2.4199 -2.3962 -2.3962 -2.3840 -2.3840 -2.3329 -2.3329 -2.3053 -2.3053 -2.2575 -2.2575 5.2928 5.2928 5.4459 5.4459 6.3768 6.3768 7.7281 7.7281 8.5816 8.5816 8.8305 8.8305 9.5185 9.5185 9.9520 9.9520 11.2301 11.2301 15.7186 15.7186 17.9912 17.9912 19.0500 19.0500 k = 0.5000-0.0855 0.5519 ( 1722 PWs) bands (ev): -2.8561 -2.8561 -2.8349 -2.8349 -2.8237 -2.8237 -2.7934 -2.7934 -2.4202 -2.4202 -2.3954 -2.3954 -2.3821 -2.3821 -2.3346 -2.3346 -2.3046 -2.3046 -2.2609 -2.2609 5.2981 5.2981 5.4363 5.4363 6.4327 6.4327 7.6483 7.6483 8.5920 8.5920 8.8196 8.8196 9.5263 9.5263 9.9190 9.9190 11.2589 11.2589 15.8666 15.8666 18.1470 18.1470 18.8357 18.8357 k = 0.5000-0.0748 0.5595 ( 1714 PWs) bands (ev): -2.8561 -2.8561 -2.8340 -2.8340 -2.8219 -2.8219 -2.7944 -2.7944 -2.4205 -2.4205 -2.3946 -2.3946 -2.3800 -2.3800 -2.3366 -2.3366 -2.3035 -2.3035 -2.2643 -2.2643 5.3038 5.3038 5.4268 5.4268 6.4910 6.4910 7.5675 7.5675 8.6030 8.6030 8.8100 8.8100 9.5350 9.5350 9.8873 9.8873 11.2843 11.2843 16.0197 16.0197 18.3075 18.3075 18.6264 18.6264 k = 0.5000-0.0642 0.5670 ( 1716 PWs) bands (ev): -2.8561 -2.8561 -2.8332 -2.8332 -2.8202 -2.8202 -2.7954 -2.7954 -2.4208 -2.4208 -2.3940 -2.3940 -2.3778 -2.3778 -2.3388 -2.3388 -2.3020 -2.3020 -2.2677 -2.2677 5.3097 5.3097 5.4174 5.4174 6.5514 6.5514 7.4866 7.4866 8.6142 8.6142 8.8013 8.8013 9.5443 9.5443 9.8572 9.8572 11.3063 11.3063 16.1778 16.1778 18.3921 18.3921 18.5022 18.5022 k = 0.5000-0.0535 0.5746 ( 1722 PWs) bands (ev): -2.8561 -2.8561 -2.8325 -2.8325 -2.8187 -2.8187 -2.7964 -2.7964 -2.4210 -2.4210 -2.3935 -2.3935 -2.3757 -2.3757 -2.3411 -2.3411 -2.3003 -2.3003 -2.2711 -2.2711 5.3159 5.3159 5.4082 5.4082 6.6136 6.6136 7.4064 7.4064 8.6252 8.6252 8.7935 8.7935 9.5543 9.5543 9.8291 9.8291 11.3248 11.3248 16.3407 16.3407 18.2014 18.2014 18.6624 18.6624 k = 0.5000-0.0428 0.5821 ( 1726 PWs) bands (ev): -2.8561 -2.8561 -2.8320 -2.8320 -2.8172 -2.8172 -2.7974 -2.7974 -2.4213 -2.4213 -2.3931 -2.3931 -2.3736 -2.3736 -2.3433 -2.3433 -2.2984 -2.2984 -2.2744 -2.2744 5.3223 5.3223 5.3994 5.3994 6.6769 6.6769 7.3279 7.3279 8.6353 8.6353 8.7866 8.7866 9.5645 9.5645 9.8037 9.8037 11.3399 11.3399 16.5081 16.5081 18.0003 18.0003 18.8423 18.8423 k = 0.5000-0.0321 0.5897 ( 1722 PWs) bands (ev): -2.8561 -2.8561 -2.8315 -2.8315 -2.8159 -2.8159 -2.7983 -2.7983 -2.4214 -2.4214 -2.3928 -2.3928 -2.3715 -2.3715 -2.3455 -2.3455 -2.2962 -2.2962 -2.2775 -2.2775 5.3286 5.3286 5.3911 5.3911 6.7403 6.7403 7.2525 7.2525 8.6441 8.6441 8.7806 8.7806 9.5745 9.5745 9.7817 9.7817 11.3517 11.3517 16.6798 16.6798 17.8018 17.8018 19.0286 19.0286 k = 0.5000-0.0214 0.5973 ( 1722 PWs) bands (ev): -2.8561 -2.8561 -2.8312 -2.8312 -2.8148 -2.8148 -2.7990 -2.7990 -2.4215 -2.4215 -2.3926 -2.3926 -2.3698 -2.3698 -2.3473 -2.3473 -2.2940 -2.2940 -2.2805 -2.2805 5.3345 5.3345 5.3838 5.3838 6.8010 6.8010 7.1831 7.1831 8.6511 8.6511 8.7759 8.7759 9.5832 9.5832 9.7642 9.7642 11.3600 11.3600 16.8553 16.8553 17.6069 17.6069 19.2201 19.2201 k = 0.5000-0.0107 0.6048 ( 1722 PWs) bands (ev): -2.8561 -2.8561 -2.8310 -2.8310 -2.8141 -2.8141 -2.7995 -2.7995 -2.4216 -2.4216 -2.3924 -2.3924 -2.3686 -2.3686 -2.3486 -2.3486 -2.2919 -2.2919 -2.2830 -2.2830 5.3391 5.3391 5.3783 5.3783 6.8518 6.8518 7.1269 7.1269 8.6556 8.6556 8.7729 8.7729 9.5895 9.5895 9.7526 9.7526 11.3650 11.3650 17.0333 17.0333 17.4173 17.4173 19.4142 19.4142 k = 0.5000-0.0000 0.6124 ( 1708 PWs) bands (ev): -2.8560 -2.8560 -2.8309 -2.8309 -2.8138 -2.8138 -2.7996 -2.7996 -2.4216 -2.4216 -2.3923 -2.3923 -2.3680 -2.3680 -2.3490 -2.3490 -2.2908 -2.2908 -2.2842 -2.2842 5.3410 5.3410 5.3761 5.3761 6.8743 6.8743 7.1027 7.1027 8.6571 8.6571 8.7718 8.7718 9.5918 9.5918 9.7485 9.7485 11.3667 11.3667 17.1784 17.1784 17.2684 17.2684 19.5679 19.5679 k = 0.5000-0.0000 0.6124 ( 1708 PWs) bands (ev): -2.8560 -2.8560 -2.8309 -2.8309 -2.8138 -2.8138 -2.7996 -2.7996 -2.4216 -2.4216 -2.3923 -2.3923 -2.3680 -2.3680 -2.3490 -2.3490 -2.2908 -2.2908 -2.2842 -2.2842 5.3410 5.3410 5.3761 5.3761 6.8743 6.8743 7.1027 7.1027 8.6571 8.6571 8.7718 8.7718 9.5918 9.5918 9.7485 9.7485 11.3667 11.3667 17.1784 17.1784 17.2684 17.2684 19.5679 19.5679 k = 0.4934 0.0114 0.6124 ( 1719 PWs) bands (ev): -2.8560 -2.8560 -2.8309 -2.8309 -2.8140 -2.8140 -2.7996 -2.7996 -2.4216 -2.4216 -2.3924 -2.3924 -2.3683 -2.3683 -2.3488 -2.3488 -2.2914 -2.2914 -2.2836 -2.2836 5.3386 5.3386 5.3748 5.3748 6.8659 6.8659 7.1160 7.1160 8.6540 8.6540 8.7737 8.7737 9.5883 9.5883 9.7548 9.7548 11.3678 11.3678 17.0807 17.0807 17.3646 17.3646 19.4735 19.4735 k = 0.4868 0.0228 0.6124 ( 1721 PWs) bands (ev): -2.8560 -2.8560 -2.8310 -2.8310 -2.8143 -2.8143 -2.7993 -2.7993 -2.4215 -2.4215 -2.3924 -2.3924 -2.3690 -2.3690 -2.3481 -2.3481 -2.2928 -2.2928 -2.2822 -2.2822 5.3332 5.3332 5.3699 5.3699 6.8442 6.8442 7.1514 7.1514 8.6452 8.6452 8.7787 8.7787 9.5780 9.5780 9.7729 9.7729 11.3710 11.3710 16.9440 16.9440 17.4972 17.4972 19.3495 19.3495 k = 0.4803 0.0342 0.6124 ( 1730 PWs) bands (ev): -2.8560 -2.8560 -2.8311 -2.8311 -2.8149 -2.8149 -2.7990 -2.7990 -2.4214 -2.4214 -2.3925 -2.3925 -2.3700 -2.3700 -2.3472 -2.3472 -2.2945 -2.2945 -2.2806 -2.2806 5.3256 5.3256 5.3621 5.3621 6.8158 6.8158 7.2004 7.2004 8.6325 8.6325 8.7855 8.7855 9.5631 9.5631 9.8007 9.8007 11.3761 11.3761 16.8009 16.8009 17.6345 17.6345 19.2334 19.2334 k = 0.4737 0.0456 0.6124 ( 1730 PWs) bands (ev): -2.8559 -2.8559 -2.8311 -2.8311 -2.8155 -2.8155 -2.7985 -2.7985 -2.4212 -2.4212 -2.3926 -2.3926 -2.3711 -2.3711 -2.3459 -2.3459 -2.2962 -2.2962 -2.2789 -2.2789 5.3150 5.3150 5.3532 5.3532 6.7854 6.7854 7.2570 7.2570 8.6178 8.6178 8.7925 8.7925 9.5456 9.5456 9.8355 9.8355 11.3830 11.3830 16.6542 16.6542 17.7747 17.7747 19.1275 19.1275 k = 0.4671 0.0570 0.6124 ( 1728 PWs) bands (ev): -2.8557 -2.8557 -2.8312 -2.8312 -2.8162 -2.8162 -2.7979 -2.7979 -2.4209 -2.4209 -2.3927 -2.3927 -2.3724 -2.3724 -2.3445 -2.3445 -2.2980 -2.2980 -2.2771 -2.2771 5.3007 5.3007 5.3454 5.3454 6.7551 6.7551 7.3173 7.3173 8.6024 8.6024 8.7987 8.7987 9.5270 9.5270 9.8757 9.8757 11.3917 11.3917 16.5054 16.5054 17.9175 17.9175 19.0318 19.0318 k = 0.4605 0.0684 0.6124 ( 1725 PWs) bands (ev): -2.8556 -2.8556 -2.8312 -2.8312 -2.8171 -2.8171 -2.7973 -2.7973 -2.4206 -2.4206 -2.3929 -2.3929 -2.3737 -2.3737 -2.3429 -2.3429 -2.2997 -2.2997 -2.2754 -2.2754 5.2831 5.2831 5.3392 5.3392 6.7262 6.7262 7.3789 7.3789 8.5873 8.5873 8.8032 8.8032 9.5084 9.5084 9.9198 9.9198 11.4021 11.4021 16.3562 16.3562 18.0626 18.0626 18.9457 18.9457 k = 0.4539 0.0798 0.6124 ( 1725 PWs) bands (ev): -2.8555 -2.8555 -2.8312 -2.8312 -2.8179 -2.8179 -2.7968 -2.7968 -2.4203 -2.4203 -2.3931 -2.3931 -2.3750 -2.3750 -2.3413 -2.3413 -2.3014 -2.3014 -2.2738 -2.2738 5.2632 5.2632 5.3345 5.3345 6.6991 6.6991 7.4401 7.4401 8.5733 8.5733 8.8055 8.8055 9.4902 9.4902 9.9668 9.9668 11.4139 11.4139 16.2079 16.2079 18.2096 18.2096 18.8688 18.8688 k = 0.4474 0.0912 0.6124 ( 1721 PWs) bands (ev): -2.8553 -2.8553 -2.8312 -2.8312 -2.8188 -2.8188 -2.7962 -2.7962 -2.4199 -2.4199 -2.3934 -2.3934 -2.3763 -2.3763 -2.3396 -2.3396 -2.3031 -2.3031 -2.2722 -2.2722 5.2422 5.2422 5.3308 5.3308 6.6739 6.6739 7.4996 7.4996 8.5610 8.5610 8.8053 8.8053 9.4729 9.4729 10.0155 10.0155 11.4272 11.4272 16.0621 16.0621 18.3585 18.3585 18.8007 18.8007 k = 0.4408 0.1026 0.6124 ( 1721 PWs) bands (ev): -2.8552 -2.8552 -2.8312 -2.8312 -2.8197 -2.8197 -2.7956 -2.7956 -2.4195 -2.4195 -2.3937 -2.3937 -2.3775 -2.3775 -2.3379 -2.3379 -2.3047 -2.3047 -2.2708 -2.2708 5.2212 5.2212 5.3278 5.3278 6.6510 6.6510 7.5563 7.5563 8.5509 8.5509 8.8023 8.8023 9.4569 9.4569 10.0650 10.0650 11.4418 11.4418 15.9204 15.9204 18.5082 18.5082 18.7417 18.7417 k = 0.4342 0.1140 0.6124 ( 1717 PWs) bands (ev): -2.8550 -2.8550 -2.8312 -2.8312 -2.8205 -2.8205 -2.7951 -2.7951 -2.4191 -2.4191 -2.3941 -2.3941 -2.3785 -2.3785 -2.3362 -2.3362 -2.3063 -2.3063 -2.2694 -2.2694 5.2006 5.2006 5.3253 5.3253 6.6302 6.6302 7.6094 7.6094 8.5435 8.5435 8.7963 8.7963 9.4425 9.4425 10.1143 10.1143 11.4574 11.4574 15.7845 15.7845 18.6440 18.6440 18.7057 18.7057 k = 0.4276 0.1253 0.6124 ( 1715 PWs) bands (ev): -2.8549 -2.8549 -2.8311 -2.8311 -2.8214 -2.8214 -2.7946 -2.7946 -2.4186 -2.4186 -2.3945 -2.3945 -2.3795 -2.3795 -2.3345 -2.3345 -2.3079 -2.3079 -2.2682 -2.2682 5.1811 5.1811 5.3233 5.3233 6.6117 6.6117 7.6581 7.6581 8.5391 8.5391 8.7875 8.7875 9.4296 9.4296 10.1621 10.1621 11.4738 11.4738 15.6560 15.6560 18.6333 18.6333 18.8246 18.8246 k = 0.4211 0.1367 0.6124 ( 1715 PWs) bands (ev): -2.8547 -2.8547 -2.8309 -2.8309 -2.8222 -2.8222 -2.7941 -2.7941 -2.4182 -2.4182 -2.3950 -2.3950 -2.3803 -2.3803 -2.3329 -2.3329 -2.3095 -2.3095 -2.2671 -2.2671 5.1632 5.1632 5.3216 5.3216 6.5953 6.5953 7.7019 7.7019 8.5379 8.5379 8.7760 8.7760 9.4185 9.4185 10.2074 10.2074 11.4907 11.4907 15.5367 15.5367 18.5954 18.5954 18.9785 18.9785 k = 0.4145 0.1481 0.6124 ( 1715 PWs) bands (ev): -2.8546 -2.8546 -2.8308 -2.8308 -2.8230 -2.8230 -2.7937 -2.7937 -2.4177 -2.4177 -2.3955 -2.3955 -2.3811 -2.3811 -2.3312 -2.3312 -2.3110 -2.3110 -2.2661 -2.2661 5.1470 5.1470 5.3202 5.3202 6.5812 6.5812 7.7403 7.7403 8.5402 8.5402 8.7620 8.7620 9.4091 9.4091 10.2491 10.2491 11.5075 11.5075 15.4284 15.4284 18.5620 18.5620 19.1351 19.1351 k = 0.4079 0.1595 0.6124 ( 1716 PWs) bands (ev): -2.8546 -2.8546 -2.8306 -2.8306 -2.8238 -2.8238 -2.7934 -2.7934 -2.4173 -2.4173 -2.3960 -2.3960 -2.3816 -2.3816 -2.3296 -2.3296 -2.3126 -2.3126 -2.2653 -2.2653 5.1330 5.1330 5.3191 5.3191 6.5693 6.5693 7.7730 7.7730 8.5457 8.5457 8.7460 8.7460 9.4014 9.4014 10.2863 10.2863 11.5237 11.5237 15.3328 15.3328 18.5339 18.5339 19.2928 19.2928 k = 0.4013 0.1709 0.6124 ( 1718 PWs) bands (ev): -2.8545 -2.8545 -2.8304 -2.8304 -2.8244 -2.8244 -2.7931 -2.7931 -2.4169 -2.4169 -2.3964 -2.3964 -2.3821 -2.3821 -2.3281 -2.3281 -2.3141 -2.3141 -2.2647 -2.2647 5.1212 5.1212 5.3182 5.3182 6.5596 6.5596 7.7998 7.7998 8.5542 8.5542 8.7286 8.7286 9.3952 9.3952 10.3180 10.3180 11.5385 11.5385 15.2517 15.2517 18.5112 18.5112 19.4510 19.4510 k = 0.3947 0.1823 0.6124 ( 1718 PWs) bands (ev): -2.8544 -2.8544 -2.8301 -2.8301 -2.8250 -2.8250 -2.7929 -2.7929 -2.4166 -2.4166 -2.3968 -2.3968 -2.3825 -2.3825 -2.3266 -2.3266 -2.3155 -2.3155 -2.2641 -2.2641 5.1119 5.1119 5.3176 5.3176 6.5520 6.5520 7.8206 7.8206 8.5650 8.5650 8.7107 8.7107 9.3906 9.3906 10.3434 10.3434 11.5511 11.5511 15.1867 15.1867 18.4937 18.4937 19.6087 19.6087 k = 0.3882 0.1937 0.6124 ( 1720 PWs) bands (ev): -2.8544 -2.8544 -2.8299 -2.8299 -2.8255 -2.8255 -2.7928 -2.7928 -2.4164 -2.4164 -2.3971 -2.3971 -2.3827 -2.3827 -2.3252 -2.3252 -2.3168 -2.3168 -2.2638 -2.2638 5.1052 5.1052 5.3171 5.3171 6.5466 6.5466 7.8353 7.8353 8.5768 8.5768 8.6939 8.6939 9.3874 9.3874 10.3620 10.3620 11.5608 11.5608 15.1391 15.1391 18.4813 18.4813 19.7642 19.7642 k = 0.3816 0.2051 0.6124 ( 1720 PWs) bands (ev): -2.8544 -2.8544 -2.8297 -2.8297 -2.8259 -2.8259 -2.7927 -2.7927 -2.4162 -2.4162 -2.3973 -2.3973 -2.3829 -2.3829 -2.3242 -2.3242 -2.3178 -2.3178 -2.2636 -2.2636 5.1011 5.1011 5.3169 5.3169 6.5434 6.5434 7.8441 7.8441 8.5870 8.5870 8.6806 8.6806 9.3855 9.3855 10.3733 10.3733 11.5669 11.5669 15.1100 15.1100 18.4739 18.4739 19.9112 19.9112 k = 0.3750 0.2165 0.6124 ( 1710 PWs) bands (ev): -2.8543 -2.8543 -2.8296 -2.8296 -2.8259 -2.8259 -2.7926 -2.7926 -2.4161 -2.4161 -2.3974 -2.3974 -2.3829 -2.3829 -2.3237 -2.3237 -2.3182 -2.3182 -2.2635 -2.2635 5.0997 5.0997 5.3168 5.3168 6.5423 6.5423 7.8471 7.8471 8.5914 8.5914 8.6753 8.6753 9.3849 9.3849 10.3771 10.3771 11.5690 11.5690 15.1003 15.1003 18.4715 18.4715 20.0005 20.0005 k = 0.3750 0.2165 0.6124 ( 1710 PWs) bands (ev): -2.8543 -2.8543 -2.8296 -2.8296 -2.8259 -2.8259 -2.7926 -2.7926 -2.4161 -2.4161 -2.3974 -2.3974 -2.3829 -2.3829 -2.3237 -2.3237 -2.3182 -2.3182 -2.2635 -2.2635 5.0997 5.0997 5.3168 5.3168 6.5423 6.5423 7.8471 7.8471 8.5914 8.5914 8.6753 8.6753 9.3849 9.3849 10.3771 10.3771 11.5690 11.5690 15.1003 15.1003 18.4715 18.4715 20.0005 20.0005 k = 0.3684 0.2127 0.6016 ( 1718 PWs) bands (ev): -2.8540 -2.8540 -2.8284 -2.8284 -2.8241 -2.8241 -2.7934 -2.7934 -2.4161 -2.4161 -2.3963 -2.3963 -2.3813 -2.3813 -2.3254 -2.3254 -2.3180 -2.3180 -2.2674 -2.2674 5.0335 5.0335 5.3254 5.3254 6.6087 6.6087 7.8122 7.8122 8.5774 8.5774 8.6606 8.6606 9.4176 9.4176 10.3581 10.3581 11.6669 11.6669 15.1391 15.1391 18.6705 18.6705 19.8456 19.8456 k = 0.3618 0.2089 0.5909 ( 1718 PWs) bands (ev): -2.8537 -2.8537 -2.8272 -2.8272 -2.8222 -2.8222 -2.7943 -2.7943 -2.4160 -2.4160 -2.3952 -2.3952 -2.3796 -2.3796 -2.3279 -2.3279 -2.3170 -2.3170 -2.2714 -2.2714 4.9620 4.9620 5.3350 5.3350 6.6752 6.6752 7.7833 7.7833 8.5591 8.5591 8.6521 8.6521 9.4545 9.4545 10.3388 10.3388 11.7670 11.7670 15.1766 15.1766 18.8736 18.8736 19.6877 19.6877 k = 0.3553 0.2051 0.5801 ( 1716 PWs) bands (ev): -2.8533 -2.8533 -2.8261 -2.8261 -2.8203 -2.8203 -2.7951 -2.7951 -2.4158 -2.4158 -2.3941 -2.3941 -2.3779 -2.3779 -2.3307 -2.3307 -2.3156 -2.3156 -2.2754 -2.2754 4.8854 4.8854 5.3457 5.3457 6.7408 6.7408 7.7616 7.7616 8.5381 8.5381 8.6477 8.6477 9.4951 9.4951 10.3197 10.3197 11.8693 11.8693 15.2129 15.2129 19.0789 19.0789 19.5280 19.5280 k = 0.3487 0.2013 0.5694 ( 1712 PWs) bands (ev): -2.8528 -2.8528 -2.8251 -2.8251 -2.8185 -2.8185 -2.7959 -2.7959 -2.4155 -2.4155 -2.3929 -2.3929 -2.3761 -2.3761 -2.3335 -2.3335 -2.3141 -2.3141 -2.2794 -2.2794 4.8041 4.8041 5.3575 5.3575 6.8042 6.8042 7.7485 7.7485 8.5158 8.5158 8.6462 8.6462 9.5387 9.5387 10.3015 10.3015 11.9736 11.9736 15.2483 15.2483 19.2786 19.2786 19.3722 19.3722 k = 0.3421 0.1975 0.5587 ( 1702 PWs) bands (ev): -2.8524 -2.8524 -2.8241 -2.8241 -2.8166 -2.8166 -2.7967 -2.7967 -2.4153 -2.4153 -2.3917 -2.3917 -2.3743 -2.3743 -2.3363 -2.3363 -2.3124 -2.3124 -2.2832 -2.2832 4.7185 4.7185 5.3703 5.3703 6.8639 6.8639 7.7450 7.7450 8.4930 8.4930 8.6470 8.6470 9.5843 9.5843 10.2852 10.2852 12.0799 12.0799 15.2832 15.2832 19.2008 19.2008 19.4831 19.4831 k = 0.3355 0.1937 0.5479 ( 1700 PWs) bands (ev): -2.8519 -2.8519 -2.8233 -2.8233 -2.8149 -2.8149 -2.7976 -2.7976 -2.4150 -2.4150 -2.3905 -2.3905 -2.3727 -2.3727 -2.3391 -2.3391 -2.3106 -2.3106 -2.2870 -2.2870 4.6290 4.6290 5.3842 5.3842 6.9185 6.9185 7.7522 7.7522 8.4700 8.4700 8.6502 8.6502 9.6307 9.6307 10.2720 10.2720 12.1881 12.1881 15.3176 15.3176 19.0399 19.0399 19.4574 19.4574 k = 0.3289 0.1899 0.5372 ( 1700 PWs) bands (ev): -2.8515 -2.8515 -2.8226 -2.8226 -2.8133 -2.8133 -2.7984 -2.7984 -2.4146 -2.4146 -2.3894 -2.3894 -2.3711 -2.3711 -2.3418 -2.3418 -2.3088 -2.3088 -2.2908 -2.2908 4.5360 4.5360 5.3993 5.3993 6.9667 6.9667 7.7707 7.7707 8.4468 8.4468 8.6561 8.6561 9.6763 9.6763 10.2635 10.2635 12.2981 12.2981 15.3520 15.3520 18.8786 18.8786 19.3560 19.3560 k = 0.3224 0.1861 0.5264 ( 1704 PWs) bands (ev): -2.8511 -2.8511 -2.8221 -2.8221 -2.8119 -2.8119 -2.7992 -2.7992 -2.4143 -2.4143 -2.3883 -2.3883 -2.3697 -2.3697 -2.3443 -2.3443 -2.3068 -2.3068 -2.2944 -2.2944 4.4399 4.4399 5.4155 5.4155 7.0076 7.0076 7.8005 7.8005 8.4234 8.4234 8.6652 8.6652 9.7192 9.7192 10.2619 10.2619 12.4098 12.4098 15.3865 15.3865 18.7179 18.7179 19.2570 19.2570 k = 0.3158 0.1823 0.5157 ( 1716 PWs) bands (ev): -2.8507 -2.8507 -2.8217 -2.8217 -2.8106 -2.8106 -2.8001 -2.8001 -2.4140 -2.4140 -2.3873 -2.3873 -2.3684 -2.3684 -2.3467 -2.3467 -2.3049 -2.3049 -2.2978 -2.2978 4.3413 4.3413 5.4329 5.4329 7.0410 7.0410 7.8403 7.8403 8.4000 8.4000 8.6781 8.6781 9.7570 9.7570 10.2697 10.2697 12.5231 12.5231 15.4213 15.4213 18.5579 18.5579 19.1614 19.1614 k = 0.3092 0.1785 0.5049 ( 1716 PWs) bands (ev): -2.8503 -2.8503 -2.8215 -2.8215 -2.8093 -2.8093 -2.8008 -2.8008 -2.4136 -2.4136 -2.3863 -2.3863 -2.3673 -2.3673 -2.3487 -2.3487 -2.3030 -2.3030 -2.3007 -2.3007 4.2405 4.2405 5.4516 5.4516 7.0674 7.0674 7.8884 7.8884 8.3766 8.3766 8.6957 8.6957 9.7877 9.7877 10.2892 10.2892 12.6381 12.6381 15.4566 15.4566 18.3991 18.3991 19.0696 19.0696 k = 0.3026 0.1747 0.4942 ( 1720 PWs) bands (ev): -2.8499 -2.8499 -2.8213 -2.8213 -2.8082 -2.8082 -2.8015 -2.8015 -2.4133 -2.4133 -2.3856 -2.3856 -2.3664 -2.3664 -2.3504 -2.3504 -2.3040 -2.3040 -2.3003 -2.3003 4.1380 4.1380 5.4715 5.4715 7.0878 7.0878 7.9419 7.9419 8.3535 8.3535 8.7188 8.7188 9.8102 9.8102 10.3220 10.3220 12.7547 12.7547 15.4926 15.4926 18.2414 18.2414 18.9813 18.9813 k = 0.2961 0.1709 0.4835 ( 1712 PWs) bands (ev): -2.8495 -2.8495 -2.8213 -2.8213 -2.8073 -2.8073 -2.8021 -2.8021 -2.4129 -2.4129 -2.3851 -2.3851 -2.3656 -2.3656 -2.3517 -2.3517 -2.3063 -2.3063 -2.2981 -2.2981 4.0342 4.0342 5.4927 5.4927 7.1034 7.1034 7.9974 7.9974 8.3310 8.3310 8.7482 8.7482 9.8252 9.8252 10.3680 10.3680 12.8727 12.8727 15.5294 15.5294 18.0850 18.0850 18.8967 18.8967 k = 0.2895 0.1671 0.4727 ( 1716 PWs) bands (ev): -2.8492 -2.8492 -2.8214 -2.8214 -2.8065 -2.8065 -2.8028 -2.8028 -2.4127 -2.4127 -2.3851 -2.3851 -2.3647 -2.3647 -2.3529 -2.3529 -2.3083 -2.3083 -2.2958 -2.2958 3.9295 3.9295 5.5152 5.5152 7.1152 7.1152 8.0511 8.0511 8.3100 8.3100 8.7846 8.7846 9.8349 9.8349 10.4259 10.4259 12.9921 12.9921 15.5672 15.5672 17.9300 17.9300 18.8155 18.8155 k = 0.2829 0.1633 0.4620 ( 1716 PWs) bands (ev): -2.8489 -2.8489 -2.8217 -2.8217 -2.8058 -2.8058 -2.8034 -2.8034 -2.4126 -2.4126 -2.3855 -2.3855 -2.3636 -2.3636 -2.3539 -2.3539 -2.3097 -2.3097 -2.2935 -2.2935 3.8243 3.8243 5.5390 5.5390 7.1242 7.1242 8.0984 8.0984 8.2927 8.2927 8.8281 8.8281 9.8425 9.8425 10.4937 10.4937 13.1129 13.1129 15.6062 15.6062 17.7765 17.7765 18.7378 18.7378 k = 0.2763 0.1595 0.4512 ( 1716 PWs) bands (ev): -2.8486 -2.8486 -2.8221 -2.8221 -2.8053 -2.8053 -2.8040 -2.8040 -2.4126 -2.4126 -2.3863 -2.3863 -2.3624 -2.3624 -2.3548 -2.3548 -2.3106 -2.3106 -2.2910 -2.2910 3.7188 3.7188 5.5642 5.5642 7.1309 7.1309 8.1329 8.1329 8.2836 8.2836 8.8778 8.8778 9.8515 9.8515 10.5696 10.5696 13.2350 13.2350 15.6465 15.6465 17.6246 17.6246 18.6633 18.6633 k = 0.2697 0.1557 0.4405 ( 1726 PWs) bands (ev): -2.8484 -2.8484 -2.8226 -2.8226 -2.8052 -2.8052 -2.8045 -2.8045 -2.4128 -2.4128 -2.3874 -2.3874 -2.3615 -2.3615 -2.3553 -2.3553 -2.3110 -2.3110 -2.2886 -2.2886 3.6134 3.6134 5.5907 5.5907 7.1361 7.1361 8.1472 8.1472 8.2893 8.2893 8.9318 8.9318 9.8657 9.8657 10.6520 10.6520 13.3583 13.3583 15.6882 15.6882 17.4744 17.4744 18.5922 18.5922 k = 0.2632 0.1519 0.4297 ( 1726 PWs) bands (ev): -2.8483 -2.8483 -2.8232 -2.8232 -2.8057 -2.8057 -2.8045 -2.8045 -2.4131 -2.4131 -2.3887 -2.3887 -2.3614 -2.3614 -2.3546 -2.3546 -2.3109 -2.3109 -2.2860 -2.2860 3.5084 3.5084 5.6185 5.6185 7.1399 7.1399 8.1416 8.1416 8.3091 8.3091 8.9868 8.9868 9.8889 9.8889 10.7399 10.7399 13.4827 13.4827 15.7314 15.7314 17.3260 17.3260 18.5242 18.5242 k = 0.2566 0.1481 0.4190 ( 1718 PWs) bands (ev): -2.8482 -2.8482 -2.8237 -2.8237 -2.8065 -2.8065 -2.8043 -2.8043 -2.4137 -2.4137 -2.3900 -2.3900 -2.3624 -2.3624 -2.3526 -2.3526 -2.3103 -2.3103 -2.2835 -2.2835 3.4041 3.4041 5.6478 5.6478 7.1426 7.1426 8.1246 8.1246 8.3352 8.3352 9.0390 9.0390 9.9250 9.9250 10.8322 10.8322 13.6081 13.6081 15.7762 15.7762 17.1795 17.1795 18.4594 18.4594 k = 0.2500 0.1443 0.4082 ( 1718 PWs) bands (ev): -2.8482 -2.8482 -2.8242 -2.8242 -2.8074 -2.8074 -2.8042 -2.8042 -2.4145 -2.4145 -2.3913 -2.3913 -2.3640 -2.3640 -2.3499 -2.3499 -2.3094 -2.3094 -2.2809 -2.2809 3.3006 3.3006 5.6783 5.6783 7.1444 7.1444 8.1021 8.1021 8.3623 8.3623 9.0842 9.0842 9.9773 9.9773 10.9285 10.9285 13.7345 13.7345 15.8228 15.8228 17.0351 17.0351 18.3976 18.3976 k = 0.2434 0.1405 0.3975 ( 1718 PWs) bands (ev): -2.8484 -2.8484 -2.8248 -2.8248 -2.8086 -2.8086 -2.8042 -2.8042 -2.4156 -2.4156 -2.3925 -2.3925 -2.3658 -2.3658 -2.3467 -2.3467 -2.3081 -2.3081 -2.2783 -2.2783 3.1981 3.1981 5.7102 5.7102 7.1454 7.1454 8.0770 8.0770 8.3886 8.3886 9.1198 9.1198 10.0481 10.0481 11.0282 11.0282 13.8617 13.8617 15.8713 15.8713 16.8929 16.8929 18.3388 18.3388 k = 0.2368 0.1367 0.3868 ( 1722 PWs) bands (ev): -2.8486 -2.8486 -2.8255 -2.8255 -2.8098 -2.8098 -2.8043 -2.8043 -2.4171 -2.4171 -2.3934 -2.3934 -2.3678 -2.3678 -2.3433 -2.3433 -2.3067 -2.3067 -2.2757 -2.2757 3.0970 3.0970 5.7435 5.7435 7.1455 7.1455 8.0504 8.0504 8.4137 8.4137 9.1447 9.1447 10.1374 10.1374 11.1308 11.1308 13.9897 13.9897 15.9216 15.9216 16.7531 16.7531 18.2829 18.2829 k = 0.2303 0.1329 0.3760 ( 1720 PWs) bands (ev): -2.8489 -2.8489 -2.8259 -2.8259 -2.8112 -2.8112 -2.8044 -2.8044 -2.4187 -2.4187 -2.3942 -2.3942 -2.3698 -2.3698 -2.3396 -2.3396 -2.3050 -2.3050 -2.2731 -2.2731 2.9972 2.9972 5.7780 5.7780 7.1448 7.1448 8.0230 8.0230 8.4378 8.4378 9.1596 9.1596 10.2442 10.2442 11.2361 11.2361 14.1182 14.1182 15.9740 15.9740 16.6160 16.6160 18.2298 18.2298 k = 0.2237 0.1291 0.3653 ( 1720 PWs) bands (ev): -2.8493 -2.8493 -2.8263 -2.8263 -2.8128 -2.8128 -2.8045 -2.8045 -2.4206 -2.4206 -2.3949 -2.3949 -2.3719 -2.3719 -2.3357 -2.3357 -2.3033 -2.3033 -2.2704 -2.2704 2.8991 2.8991 5.8138 5.8138 7.1433 7.1433 7.9950 7.9950 8.4609 8.4609 9.1662 9.1662 10.3660 10.3660 11.3437 11.3437 14.2471 14.2471 16.0284 16.0284 16.4819 16.4819 18.1795 18.1795 k = 0.2171 0.1253 0.3545 ( 1720 PWs) bands (ev): -2.8499 -2.8499 -2.8267 -2.8267 -2.8145 -2.8145 -2.8047 -2.8047 -2.4226 -2.4226 -2.3954 -2.3954 -2.3740 -2.3740 -2.3316 -2.3316 -2.3015 -2.3015 -2.2678 -2.2678 2.8028 2.8028 5.8508 5.8508 7.1410 7.1410 7.9667 7.9667 8.4835 8.4835 9.1663 9.1663 10.5005 10.5005 11.4534 11.4534 14.3761 14.3761 16.0848 16.0848 16.3514 16.3514 18.1319 18.1319 k = 0.2105 0.1215 0.3438 ( 1720 PWs) bands (ev): -2.8506 -2.8506 -2.8269 -2.8269 -2.8164 -2.8164 -2.8050 -2.8050 -2.4247 -2.4247 -2.3958 -2.3958 -2.3759 -2.3759 -2.3273 -2.3273 -2.2996 -2.2996 -2.2652 -2.2652 2.7083 2.7083 5.8890 5.8890 7.1379 7.1379 7.9383 7.9383 8.5057 8.5057 9.1618 9.1618 10.6456 10.6456 11.5649 11.5649 14.5049 14.5049 16.1424 16.1424 16.2258 16.2258 18.0868 18.0868 k = 0.2039 0.1177 0.3330 ( 1714 PWs) bands (ev): -2.8514 -2.8514 -2.8270 -2.8270 -2.8185 -2.8185 -2.8052 -2.8052 -2.4268 -2.4268 -2.3961 -2.3961 -2.3778 -2.3778 -2.3229 -2.3229 -2.2976 -2.2976 -2.2625 -2.2625 2.6158 2.6158 5.9284 5.9284 7.1339 7.1339 7.9098 7.9098 8.5276 8.5276 9.1540 9.1540 10.7993 10.7993 11.6778 11.6778 14.6330 14.6330 16.1001 16.1001 16.2069 16.2069 18.0443 18.0443 k = 0.1974 0.1140 0.3223 ( 1714 PWs) bands (ev): -2.8523 -2.8523 -2.8271 -2.8271 -2.8207 -2.8207 -2.8055 -2.8055 -2.4291 -2.4291 -2.3964 -2.3964 -2.3797 -2.3797 -2.3185 -2.3185 -2.2956 -2.2956 -2.2599 -2.2599 2.5255 2.5255 5.9687 5.9687 7.1292 7.1292 7.8814 7.8814 8.5494 8.5494 9.1442 9.1442 10.9601 10.9601 11.7919 11.7919 14.7597 14.7597 15.9845 15.9845 16.2694 16.2694 18.0043 18.0043 k = 0.1908 0.1102 0.3116 ( 1720 PWs) bands (ev): -2.8533 -2.8533 -2.8271 -2.8271 -2.8230 -2.8230 -2.8059 -2.8059 -2.4314 -2.4314 -2.3966 -2.3966 -2.3813 -2.3813 -2.3141 -2.3141 -2.2937 -2.2937 -2.2574 -2.2574 2.4374 2.4374 6.0101 6.0101 7.1236 7.1236 7.8532 7.8532 8.5711 8.5711 9.1332 9.1332 11.1268 11.1268 11.9069 11.9069 14.8837 14.8837 15.8755 15.8755 16.3348 16.3348 17.9666 17.9666 k = 0.1842 0.1064 0.3008 ( 1720 PWs) bands (ev): -2.8544 -2.8544 -2.8270 -2.8270 -2.8254 -2.8254 -2.8063 -2.8063 -2.4336 -2.4336 -2.3968 -2.3968 -2.3830 -2.3830 -2.3096 -2.3096 -2.2916 -2.2916 -2.2549 -2.2549 2.3516 2.3516 6.0523 6.0523 7.1172 7.1172 7.8253 7.8253 8.5928 8.5928 9.1216 9.1216 11.2982 11.2982 12.0225 12.0225 15.0022 15.0022 15.7769 15.7769 16.4028 16.4028 17.9312 17.9312 k = 0.1776 0.1026 0.2901 ( 1720 PWs) bands (ev): -2.8556 -2.8556 -2.8281 -2.8281 -2.8267 -2.8267 -2.8066 -2.8066 -2.4358 -2.4358 -2.3970 -2.3970 -2.3845 -2.3845 -2.3051 -2.3051 -2.2895 -2.2895 -2.2524 -2.2524 2.2682 2.2682 6.0953 6.0953 7.1100 7.1100 7.7978 7.7978 8.6145 8.6145 9.1100 9.1100 11.4731 11.4731 12.1384 12.1384 15.1098 15.1098 15.6950 15.6950 16.4731 16.4731 17.8980 17.8980 k = 0.1711 0.0988 0.2793 ( 1722 PWs) bands (ev): -2.8569 -2.8569 -2.8307 -2.8307 -2.8264 -2.8264 -2.8071 -2.8071 -2.4379 -2.4379 -2.3972 -2.3972 -2.3860 -2.3860 -2.3008 -2.3008 -2.2873 -2.2873 -2.2500 -2.2500 2.1873 2.1873 6.1390 6.1390 7.1021 7.1021 7.7707 7.7707 8.6362 8.6362 9.0985 9.0985 11.6503 11.6503 12.2546 12.2546 15.1933 15.1933 15.6437 15.6437 16.5456 16.5456 17.8671 17.8671 k = 0.1645 0.0950 0.2686 ( 1723 PWs) bands (ev): -2.8582 -2.8582 -2.8335 -2.8335 -2.8261 -2.8261 -2.8075 -2.8075 -2.4400 -2.4400 -2.3975 -2.3975 -2.3874 -2.3874 -2.2967 -2.2967 -2.2848 -2.2848 -2.2476 -2.2476 2.1090 2.1090 6.1833 6.1833 7.0935 7.0935 7.7443 7.7443 8.6578 8.6578 9.0876 9.0876 11.8280 11.8280 12.3712 12.3712 15.2316 15.2316 15.6451 15.6451 16.6205 16.6205 17.8382 17.8382 k = 0.1579 0.0912 0.2578 ( 1725 PWs) bands (ev): -2.8595 -2.8595 -2.8362 -2.8362 -2.8257 -2.8257 -2.8079 -2.8079 -2.4420 -2.4420 -2.3977 -2.3977 -2.3886 -2.3886 -2.2931 -2.2931 -2.2821 -2.2821 -2.2453 -2.2453 2.0333 2.0333 6.2279 6.2279 7.0842 7.0842 7.7185 7.7185 8.6794 8.6794 9.0773 9.0773 12.0038 12.0038 12.4890 12.4890 15.2204 15.2204 15.7045 15.7045 16.6974 16.6974 17.8114 17.8114 k = 0.1513 0.0874 0.2471 ( 1725 PWs) bands (ev): -2.8608 -2.8608 -2.8390 -2.8390 -2.8253 -2.8253 -2.8084 -2.8084 -2.4440 -2.4440 -2.3979 -2.3979 -2.3898 -2.3898 -2.2899 -2.2899 -2.2789 -2.2789 -2.2430 -2.2430 1.9603 1.9603 6.2727 6.2727 7.0745 7.0745 7.6935 7.6935 8.7009 8.7009 9.0678 9.0678 12.1736 12.1736 12.6101 12.6101 15.1840 15.1840 15.7991 15.7991 16.7764 16.7764 17.7867 17.7867 k = 0.1447 0.0836 0.2364 ( 1725 PWs) bands (ev): -2.8622 -2.8622 -2.8418 -2.8418 -2.8248 -2.8248 -2.8089 -2.8089 -2.4458 -2.4458 -2.3981 -2.3981 -2.3909 -2.3909 -2.2873 -2.2873 -2.2752 -2.2752 -2.2408 -2.2408 1.8900 1.8900 6.3177 6.3177 7.0642 7.0642 7.6694 7.6694 8.7223 8.7223 9.0592 9.0592 12.3314 12.3314 12.7387 12.7387 15.1439 15.1439 15.9090 15.9090 16.8572 16.8572 17.7640 17.7640 k = 0.1382 0.0798 0.2256 ( 1731 PWs) bands (ev): -2.8635 -2.8635 -2.8446 -2.8446 -2.8243 -2.8243 -2.8094 -2.8094 -2.4476 -2.4476 -2.3984 -2.3984 -2.3919 -2.3919 -2.2851 -2.2851 -2.2714 -2.2714 -2.2387 -2.2387 1.8225 1.8225 6.3625 6.3625 7.0535 7.0535 7.6463 7.6463 8.7435 8.7435 9.0515 9.0515 12.4697 12.4697 12.8800 12.8800 15.1108 15.1108 16.0250 16.0250 16.9397 16.9397 17.7433 17.7433 k = 0.1316 0.0760 0.2149 ( 1731 PWs) bands (ev): -2.8649 -2.8649 -2.8475 -2.8475 -2.8238 -2.8238 -2.8098 -2.8098 -2.4493 -2.4493 -2.3986 -2.3986 -2.3929 -2.3929 -2.2833 -2.2833 -2.2672 -2.2672 -2.2366 -2.2366 1.7579 1.7579 6.4069 6.4069 7.0426 7.0426 7.6244 7.6244 8.7644 8.7644 9.0447 9.0447 12.5826 12.5826 13.0377 13.0377 15.0908 15.0908 16.1430 16.1430 17.0235 17.0235 17.7248 17.7248 k = 0.1250 0.0722 0.2041 ( 1727 PWs) bands (ev): -2.8662 -2.8662 -2.8503 -2.8503 -2.8232 -2.8232 -2.8103 -2.8103 -2.4509 -2.4509 -2.3989 -2.3989 -2.3938 -2.3938 -2.2817 -2.2817 -2.2630 -2.2630 -2.2346 -2.2346 1.6962 1.6962 6.4508 6.4508 7.0314 7.0314 7.6037 7.6037 8.7850 8.7850 9.0388 9.0388 12.6688 12.6688 13.2110 13.2110 15.0874 15.0874 16.2609 16.2609 17.1081 17.1081 17.7088 17.7088 k = 0.1184 0.0684 0.1934 ( 1739 PWs) bands (ev): -2.8676 -2.8676 -2.8531 -2.8531 -2.8227 -2.8227 -2.8108 -2.8108 -2.4524 -2.4524 -2.3992 -2.3992 -2.3947 -2.3947 -2.2803 -2.2803 -2.2588 -2.2588 -2.2328 -2.2328 1.6374 1.6374 6.4938 6.4938 7.0201 7.0201 7.5844 7.5844 8.8052 8.8052 9.0338 9.0338 12.7308 12.7308 13.3959 13.3959 15.1030 15.1030 16.3773 16.3773 17.1929 17.1929 17.6955 17.6955 k = 0.1118 0.0646 0.1826 ( 1739 PWs) bands (ev): -2.8689 -2.8689 -2.8557 -2.8557 -2.8221 -2.8221 -2.8113 -2.8113 -2.4537 -2.4537 -2.3995 -2.3995 -2.3955 -2.3955 -2.2790 -2.2790 -2.2546 -2.2546 -2.2309 -2.2309 1.5817 1.5817 6.5357 6.5357 7.0088 7.0088 7.5666 7.5666 8.8250 8.8250 9.0296 9.0296 12.7715 12.7715 13.5884 13.5884 15.1390 15.1390 16.4913 16.4913 17.2764 17.2764 17.6860 17.6860 k = 0.1053 0.0608 0.1719 ( 1741 PWs) bands (ev): -2.8702 -2.8702 -2.8584 -2.8584 -2.8215 -2.8215 -2.8117 -2.8117 -2.4550 -2.4550 -2.3998 -2.3998 -2.3963 -2.3963 -2.2779 -2.2779 -2.2506 -2.2506 -2.2292 -2.2292 1.5289 1.5289 6.5763 6.5763 6.9976 6.9976 7.5504 7.5504 8.8443 8.8443 9.0261 9.0261 12.7937 12.7937 13.7855 13.7855 15.1958 15.1958 16.6019 16.6019 17.3566 17.3566 17.6821 17.6821 k = 0.0987 0.0570 0.1612 ( 1735 PWs) bands (ev): -2.8713 -2.8713 -2.8608 -2.8608 -2.8209 -2.8209 -2.8122 -2.8122 -2.4562 -2.4562 -2.4000 -2.4000 -2.3969 -2.3969 -2.2768 -2.2768 -2.2467 -2.2467 -2.2276 -2.2276 1.4792 1.4792 6.6152 6.6152 6.9865 6.9865 7.5361 7.5361 8.8631 8.8631 9.0234 9.0234 12.8002 12.8002 13.9850 13.9850 15.2728 15.2728 16.7084 16.7084 17.4288 17.4288 17.6878 17.6878 k = 0.0921 0.0532 0.1504 ( 1735 PWs) bands (ev): -2.8725 -2.8725 -2.8632 -2.8632 -2.8204 -2.8204 -2.8126 -2.8126 -2.4573 -2.4573 -2.4003 -2.4003 -2.3976 -2.3976 -2.2759 -2.2759 -2.2429 -2.2429 -2.2260 -2.2260 1.4325 1.4325 6.6521 6.6521 6.9757 6.9757 7.5235 7.5235 8.8811 8.8811 9.0213 9.0213 12.7936 12.7936 14.1853 14.1853 15.3690 15.3690 16.8100 16.8100 17.4853 17.4853 17.7103 17.7103 k = 0.0855 0.0494 0.1397 ( 1739 PWs) bands (ev): -2.8736 -2.8736 -2.8655 -2.8655 -2.8198 -2.8198 -2.8130 -2.8130 -2.4583 -2.4583 -2.4006 -2.4006 -2.3982 -2.3982 -2.2750 -2.2750 -2.2394 -2.2394 -2.2247 -2.2247 1.3890 1.3890 6.6869 6.6869 6.9652 6.9652 7.5129 7.5129 8.8984 8.8984 9.0197 9.0197 12.7767 12.7767 14.3851 14.3851 15.4827 15.4827 16.9058 16.9058 17.5197 17.5197 17.7552 17.7552 k = 0.0789 0.0456 0.1289 ( 1739 PWs) bands (ev): -2.8747 -2.8747 -2.8677 -2.8677 -2.8193 -2.8193 -2.8134 -2.8134 -2.4592 -2.4592 -2.4008 -2.4008 -2.3988 -2.3988 -2.2742 -2.2742 -2.2360 -2.2360 -2.2233 -2.2233 1.3485 1.3485 6.7192 6.7192 6.9551 6.9551 7.5043 7.5043 8.9149 8.9149 9.0187 9.0187 12.7520 12.7520 14.5834 14.5834 15.6121 15.6121 16.9950 16.9950 17.5352 17.5352 17.8185 17.8185 k = 0.0724 0.0418 0.1182 ( 1741 PWs) bands (ev): -2.8757 -2.8757 -2.8698 -2.8698 -2.8188 -2.8188 -2.8138 -2.8138 -2.4600 -2.4600 -2.4011 -2.4011 -2.3994 -2.3994 -2.2735 -2.2735 -2.2328 -2.2328 -2.2221 -2.2221 1.3113 1.3113 6.7487 6.7487 6.9456 6.9456 7.4976 7.4976 8.9305 8.9305 9.0180 9.0180 12.7218 12.7218 14.7790 14.7790 15.7557 15.7557 17.0769 17.0769 17.5404 17.5404 17.8907 17.8907 k = 0.0658 0.0380 0.1074 ( 1741 PWs) bands (ev): -2.8766 -2.8766 -2.8717 -2.8717 -2.8183 -2.8183 -2.8141 -2.8141 -2.4607 -2.4607 -2.4013 -2.4013 -2.3999 -2.3999 -2.2729 -2.2729 -2.2299 -2.2299 -2.2209 -2.2209 1.2772 1.2772 6.7754 6.7754 6.9366 6.9366 7.4929 7.4929 8.9451 8.9451 9.0177 9.0177 12.6883 12.6883 14.9711 14.9711 15.9115 15.9115 17.1506 17.1506 17.5408 17.5408 17.9645 17.9645 k = 0.0592 0.0342 0.0967 ( 1735 PWs) bands (ev): -2.8773 -2.8773 -2.8734 -2.8734 -2.8179 -2.8179 -2.8144 -2.8144 -2.4613 -2.4613 -2.4014 -2.4014 -2.4003 -2.4003 -2.2723 -2.2723 -2.2272 -2.2272 -2.2199 -2.2199 1.2463 1.2463 6.7992 6.7992 6.9283 6.9283 7.4900 7.4900 8.9586 8.9586 9.0177 9.0177 12.6534 12.6534 15.1586 15.1586 16.0778 16.0778 17.2156 17.2156 17.5393 17.5393 18.0353 18.0353 k = 0.0526 0.0304 0.0859 ( 1739 PWs) bands (ev): -2.8781 -2.8781 -2.8750 -2.8750 -2.8175 -2.8175 -2.8147 -2.8147 -2.4619 -2.4619 -2.4016 -2.4016 -2.4007 -2.4007 -2.2719 -2.2719 -2.2248 -2.2248 -2.2189 -2.2189 1.2186 1.2186 6.8199 6.8199 6.9207 6.9207 7.4886 7.4886 8.9710 8.9710 9.0179 9.0179 12.6184 12.6184 15.3406 15.3406 16.2528 16.2528 17.2715 17.2715 17.5372 17.5372 18.0987 18.0987 k = 0.0461 0.0266 0.0752 ( 1741 PWs) bands (ev): -2.8788 -2.8788 -2.8764 -2.8764 -2.8171 -2.8171 -2.8150 -2.8150 -2.4623 -2.4623 -2.4018 -2.4018 -2.4011 -2.4011 -2.2714 -2.2714 -2.2226 -2.2226 -2.2181 -2.2181 1.1941 1.1941 6.8377 6.8377 6.9139 6.9139 7.4886 7.4886 8.9822 8.9822 9.0182 9.0182 12.5848 12.5848 15.5158 15.5158 16.4346 16.4346 17.3180 17.3180 17.5352 17.5352 18.1491 18.1491 k = 0.0395 0.0228 0.0645 ( 1741 PWs) bands (ev): -2.8794 -2.8794 -2.8777 -2.8777 -2.8168 -2.8168 -2.8152 -2.8152 -2.4628 -2.4628 -2.4020 -2.4020 -2.4015 -2.4015 -2.2711 -2.2711 -2.2207 -2.2207 -2.2174 -2.2174 1.1729 1.1729 6.8526 6.8526 6.9078 6.9078 7.4896 7.4896 8.9921 8.9921 9.0186 9.0186 12.5537 12.5537 15.6827 15.6827 16.6209 16.6209 17.3553 17.3553 17.5342 17.5342 18.1779 18.1779 k = 0.0329 0.0190 0.0537 ( 1741 PWs) bands (ev): -2.8799 -2.8799 -2.8787 -2.8787 -2.8165 -2.8165 -2.8154 -2.8154 -2.4631 -2.4631 -2.4021 -2.4021 -2.4018 -2.4018 -2.2708 -2.2708 -2.2191 -2.2191 -2.2168 -2.2168 1.1549 1.1549 6.8647 6.8647 6.9026 6.9026 7.4913 7.4913 9.0006 9.0006 9.0191 9.0191 12.5259 12.5259 15.8389 15.8389 16.8090 16.8090 17.3836 17.3836 17.5347 17.5347 18.1759 18.1759 k = 0.0263 0.0152 0.0430 ( 1733 PWs) bands (ev): -2.8803 -2.8803 -2.8795 -2.8795 -2.8162 -2.8162 -2.8155 -2.8155 -2.4634 -2.4634 -2.4022 -2.4022 -2.4019 -2.4019 -2.2705 -2.2705 -2.2177 -2.2177 -2.2163 -2.2163 1.1402 1.1402 6.8744 6.8744 6.8984 6.8984 7.4933 7.4933 9.0076 9.0076 9.0195 9.0195 12.5021 12.5021 15.9812 15.9812 16.9948 16.9948 17.4035 17.4035 17.5386 17.5386 18.1426 18.1426 k = 0.0197 0.0114 0.0322 ( 1733 PWs) bands (ev): -2.8806 -2.8806 -2.8802 -2.8802 -2.8161 -2.8161 -2.8157 -2.8157 -2.4636 -2.4636 -2.4022 -2.4022 -2.4021 -2.4021 -2.2703 -2.2703 -2.2167 -2.2167 -2.2159 -2.2159 1.1287 1.1287 6.8816 6.8816 6.8950 6.8950 7.4953 7.4953 9.0132 9.0132 9.0199 9.0199 12.4831 12.4831 16.1044 16.1044 17.1708 17.1708 17.4159 17.4159 17.5502 17.5502 18.0914 18.0914 k = 0.0132 0.0076 0.0215 ( 1725 PWs) bands (ev): -2.8808 -2.8808 -2.8806 -2.8806 -2.8159 -2.8159 -2.8158 -2.8158 -2.4637 -2.4637 -2.4022 -2.4022 -2.4022 -2.4022 -2.2701 -2.2701 -2.2159 -2.2159 -2.2156 -2.2156 1.1205 1.1205 6.8867 6.8867 6.8926 6.8926 7.4969 7.4969 9.0172 9.0172 9.0202 9.0202 12.4691 12.4691 16.2018 16.2018 17.3182 17.3182 17.4220 17.4220 17.5835 17.5835 18.0397 18.0397 k = 0.0066 0.0038 0.0107 ( 1729 PWs) bands (ev): -2.8810 -2.8810 -2.8809 -2.8809 -2.8159 -2.8159 -2.8159 -2.8159 -2.4639 -2.4639 -2.4023 -2.4023 -2.4022 -2.4022 -2.2700 -2.2700 -2.2155 -2.2155 -2.2154 -2.2154 1.1156 1.1156 6.8896 6.8896 6.8911 6.8911 7.4979 7.4979 9.0196 9.0196 9.0203 9.0203 12.4607 12.4607 16.2652 16.2652 17.4024 17.4024 17.4239 17.4239 17.6600 17.6600 18.0022 18.0022 k = 0.0000 0.0000 0.0000 ( 1759 PWs) bands (ev): -2.8810 -2.8810 -2.8810 -2.8810 -2.8161 -2.8161 -2.8161 -2.8161 -2.4642 -2.4642 -2.4023 -2.4023 -2.4023 -2.4023 -2.2700 -2.2700 -2.2156 -2.2156 -2.2156 -2.2156 1.1140 1.1140 6.8906 6.8906 6.8906 6.8906 7.4983 7.4983 9.0204 9.0204 9.0204 9.0204 12.4578 12.4578 16.2871 16.2871 17.4241 17.4241 17.4241 17.4241 17.7223 17.7223 17.9882 17.9882 k = 0.0000 0.0000 0.0000 ( 1759 PWs) bands (ev): -2.8810 -2.8810 -2.8810 -2.8810 -2.8161 -2.8161 -2.8161 -2.8161 -2.4642 -2.4642 -2.4023 -2.4023 -2.4023 -2.4023 -2.2700 -2.2700 -2.2156 -2.2156 -2.2156 -2.2156 1.1140 1.1140 6.8906 6.8906 6.8906 6.8906 7.4983 7.4983 9.0204 9.0204 9.0204 9.0204 12.4578 12.4578 16.2871 16.2871 17.4241 17.4241 17.4241 17.4241 17.7223 17.7223 17.9882 17.9882 k = 0.0106 0.0061 0.0043 ( 1729 PWs) bands (ev): -2.8809 -2.8809 -2.8809 -2.8809 -2.8159 -2.8159 -2.8159 -2.8159 -2.4639 -2.4639 -2.4023 -2.4023 -2.4022 -2.4022 -2.2700 -2.2700 -2.2155 -2.2155 -2.2154 -2.2154 1.1156 1.1156 6.8897 6.8897 6.8911 6.8911 7.4980 7.4980 9.0196 9.0196 9.0203 9.0203 12.4606 12.4606 16.2656 16.2656 17.4053 17.4053 17.4213 17.4213 17.6607 17.6607 18.0048 18.0048 k = 0.0213 0.0123 0.0087 ( 1729 PWs) bands (ev): -2.8808 -2.8808 -2.8807 -2.8807 -2.8160 -2.8160 -2.8158 -2.8158 -2.4638 -2.4638 -2.4022 -2.4022 -2.4022 -2.4022 -2.2701 -2.2701 -2.2158 -2.2158 -2.2157 -2.2157 1.1204 1.1204 6.8868 6.8868 6.8925 6.8925 7.4969 7.4969 9.0173 9.0173 9.0201 9.0201 12.4689 12.4689 16.2030 16.2030 17.3546 17.3546 17.3752 17.3752 17.5983 17.5983 18.0475 18.0475 k = 0.0319 0.0184 0.0130 ( 1729 PWs) bands (ev): -2.8805 -2.8805 -2.8804 -2.8804 -2.8161 -2.8161 -2.8156 -2.8156 -2.4636 -2.4636 -2.4022 -2.4022 -2.4021 -2.4021 -2.2703 -2.2703 -2.2163 -2.2163 -2.2162 -2.2162 1.1284 1.1284 6.8818 6.8818 6.8949 6.8949 7.4953 7.4953 9.0134 9.0134 9.0198 9.0198 12.4825 12.4825 16.1060 16.1060 17.2531 17.2531 17.2830 17.2830 17.6166 17.6166 18.1035 18.1035 k = 0.0426 0.0246 0.0174 ( 1735 PWs) bands (ev): -2.8801 -2.8801 -2.8799 -2.8799 -2.8162 -2.8162 -2.8155 -2.8155 -2.4634 -2.4634 -2.4022 -2.4022 -2.4019 -2.4019 -2.2705 -2.2705 -2.2170 -2.2170 -2.2168 -2.2168 1.1397 1.1397 6.8746 6.8746 6.8982 6.8982 7.4935 7.4935 9.0080 9.0080 9.0194 9.0194 12.5011 12.5011 15.9817 15.9817 17.1037 17.1037 17.1990 17.1990 17.6718 17.6718 18.1608 18.1608 k = 0.0532 0.0307 0.0217 ( 1735 PWs) bands (ev): -2.8795 -2.8795 -2.8791 -2.8791 -2.8165 -2.8165 -2.8153 -2.8153 -2.4631 -2.4631 -2.4021 -2.4021 -2.4017 -2.4017 -2.2707 -2.2707 -2.2180 -2.2180 -2.2177 -2.2177 1.1541 1.1541 6.8651 6.8651 6.9023 6.9023 7.4916 7.4916 9.0011 9.0011 9.0190 9.0190 12.5240 12.5240 15.8363 15.8363 16.9507 16.9507 17.1077 17.1077 17.7375 17.7375 18.2099 18.2099 k = 0.0638 0.0369 0.0261 ( 1735 PWs) bands (ev): -2.8788 -2.8788 -2.8783 -2.8783 -2.8168 -2.8168 -2.8151 -2.8151 -2.4628 -2.4628 -2.4020 -2.4020 -2.4015 -2.4015 -2.2710 -2.2710 -2.2192 -2.2192 -2.2187 -2.2187 1.1717 1.1717 6.8530 6.8530 6.9074 6.9074 7.4901 7.4901 8.9929 8.9929 9.0185 9.0185 12.5507 12.5507 15.6752 15.6752 16.8004 16.8004 17.0121 17.0121 17.8028 17.8028 18.2445 18.2445 k = 0.0745 0.0430 0.0304 ( 1735 PWs) bands (ev): -2.8781 -2.8781 -2.8772 -2.8772 -2.8171 -2.8171 -2.8149 -2.8149 -2.4623 -2.4623 -2.4018 -2.4018 -2.4012 -2.4012 -2.2714 -2.2714 -2.2205 -2.2205 -2.2199 -2.2199 1.1925 1.1925 6.8382 6.8382 6.9133 6.9133 7.4892 7.4892 8.9835 8.9835 9.0180 9.0180 12.5801 12.5801 15.5029 15.5029 16.6547 16.6547 16.9136 16.9136 17.8604 17.8604 18.2627 18.2627 k = 0.0851 0.0491 0.0347 ( 1738 PWs) bands (ev): -2.8772 -2.8772 -2.8761 -2.8761 -2.8175 -2.8175 -2.8146 -2.8146 -2.4619 -2.4619 -2.4016 -2.4016 -2.4008 -2.4008 -2.2719 -2.2719 -2.2221 -2.2221 -2.2213 -2.2213 1.2165 1.2165 6.8203 6.8203 6.9199 6.9199 7.4895 7.4895 8.9728 8.9728 9.0176 9.0176 12.6110 12.6110 15.3238 15.3238 16.5138 16.5138 16.8133 16.8133 17.9040 17.9040 18.2665 18.2665 k = 0.0957 0.0553 0.0391 ( 1732 PWs) bands (ev): -2.8762 -2.8762 -2.8747 -2.8747 -2.8179 -2.8179 -2.8143 -2.8143 -2.4613 -2.4613 -2.4014 -2.4014 -2.4005 -2.4005 -2.2723 -2.2723 -2.2239 -2.2239 -2.2229 -2.2229 1.2436 1.2436 6.7994 6.7994 6.9273 6.9273 7.4912 7.4912 8.9610 8.9610 9.0173 9.0173 12.6418 12.6418 15.1418 15.1418 16.3774 16.3774 16.7117 16.7117 17.9285 17.9285 18.2593 18.2593 k = 0.1064 0.0614 0.0434 ( 1732 PWs) bands (ev): -2.8750 -2.8750 -2.8732 -2.8732 -2.8183 -2.8183 -2.8139 -2.8139 -2.4607 -2.4607 -2.4011 -2.4011 -2.4001 -2.4001 -2.2729 -2.2729 -2.2259 -2.2259 -2.2246 -2.2246 1.2738 1.2738 6.7753 6.7753 6.9354 6.9354 7.4946 7.4946 8.9482 8.9482 9.0172 9.0172 12.6704 12.6704 14.9608 14.9608 16.2448 16.2448 16.6093 16.6093 17.9313 17.9313 18.2443 18.2443 k = 0.1170 0.0676 0.0478 ( 1732 PWs) bands (ev): -2.8738 -2.8738 -2.8717 -2.8717 -2.8188 -2.8188 -2.8136 -2.8136 -2.4599 -2.4599 -2.4008 -2.4008 -2.3997 -2.3997 -2.2735 -2.2735 -2.2280 -2.2280 -2.2265 -2.2265 1.3072 1.3072 6.7480 6.7480 6.9442 6.9442 7.4998 7.4998 8.9345 8.9345 9.0174 9.0174 12.6939 12.6939 14.7853 14.7853 16.1156 16.1156 16.5064 16.5064 17.9129 17.9129 18.2237 18.2237 k = 0.1277 0.0737 0.0521 ( 1735 PWs) bands (ev): -2.8725 -2.8725 -2.8700 -2.8700 -2.8193 -2.8193 -2.8132 -2.8132 -2.4591 -2.4591 -2.4005 -2.4005 -2.3993 -2.3993 -2.2743 -2.2743 -2.2303 -2.2303 -2.2286 -2.2286 1.3436 1.3436 6.7177 6.7177 6.9535 6.9535 7.5071 7.5071 8.9200 8.9200 9.0179 9.0179 12.7087 12.7087 14.6199 14.6199 15.9893 15.9893 16.4030 16.4030 17.8770 17.8770 18.1992 18.1992 k = 0.1383 0.0798 0.0565 ( 1735 PWs) bands (ev): -2.8711 -2.8711 -2.8682 -2.8682 -2.8198 -2.8198 -2.8128 -2.8128 -2.4582 -2.4582 -2.4002 -2.4002 -2.3989 -2.3989 -2.2751 -2.2751 -2.2328 -2.2328 -2.2308 -2.2308 1.3830 1.3830 6.6843 6.6843 6.9633 6.9633 7.5163 7.5163 8.9048 8.9048 9.0188 9.0188 12.7101 12.7101 14.4701 14.4701 15.8653 15.8653 16.2995 16.2995 17.8287 17.8287 18.1718 18.1718 k = 0.1489 0.0860 0.0608 ( 1735 PWs) bands (ev): -2.8696 -2.8696 -2.8662 -2.8662 -2.8203 -2.8203 -2.8123 -2.8123 -2.4572 -2.4572 -2.3998 -2.3998 -2.3984 -2.3984 -2.2761 -2.2761 -2.2355 -2.2355 -2.2331 -2.2331 1.4255 1.4255 6.6482 6.6482 6.9735 6.9735 7.5276 7.5276 8.8890 8.8890 9.0202 9.0202 12.6927 12.6927 14.3418 14.3418 15.7435 15.7435 16.1959 16.1959 17.7721 17.7721 18.1424 18.1424 k = 0.1596 0.0921 0.0651 ( 1735 PWs) bands (ev): -2.8680 -2.8680 -2.8642 -2.8642 -2.8208 -2.8208 -2.8118 -2.8118 -2.4561 -2.4561 -2.3993 -2.3993 -2.3980 -2.3980 -2.2771 -2.2771 -2.2383 -2.2383 -2.2356 -2.2356 1.4710 1.4710 6.6096 6.6096 6.9840 6.9840 7.5409 7.5409 8.8727 8.8727 9.0222 9.0222 12.6513 12.6513 14.2406 14.2406 15.6236 15.6236 16.0923 16.0923 17.7105 17.7105 18.1117 18.1117 k = 0.1702 0.0983 0.0695 ( 1735 PWs) bands (ev): -2.8663 -2.8663 -2.8621 -2.8621 -2.8212 -2.8212 -2.8114 -2.8114 -2.4549 -2.4549 -2.3989 -2.3989 -2.3975 -2.3975 -2.2782 -2.2782 -2.2413 -2.2413 -2.2382 -2.2382 1.5194 1.5194 6.5686 6.5686 6.9948 6.9948 7.5559 7.5559 8.8561 8.8561 9.0248 9.0248 12.5826 12.5826 14.1701 14.1701 15.5055 15.5055 15.9889 15.9889 17.6458 17.6458 18.0801 18.0801 k = 0.1809 0.1044 0.0738 ( 1735 PWs) bands (ev): -2.8646 -2.8646 -2.8599 -2.8599 -2.8217 -2.8217 -2.8109 -2.8109 -2.4536 -2.4536 -2.3984 -2.3984 -2.3971 -2.3971 -2.2795 -2.2795 -2.2444 -2.2444 -2.2410 -2.2410 1.5707 1.5707 6.5256 6.5256 7.0058 7.0058 7.5727 7.5727 8.8391 8.8391 9.0281 9.0281 12.4863 12.4863 14.1307 14.1307 15.3892 15.3892 15.8858 15.8858 17.5794 17.5794 18.0480 18.0480 k = 0.1915 0.1106 0.0782 ( 1729 PWs) bands (ev): -2.8628 -2.8628 -2.8577 -2.8577 -2.8221 -2.8221 -2.8104 -2.8104 -2.4522 -2.4522 -2.3978 -2.3978 -2.3966 -2.3966 -2.2808 -2.2808 -2.2476 -2.2476 -2.2439 -2.2439 1.6248 1.6248 6.4807 6.4807 7.0169 7.0169 7.5910 7.5910 8.8219 8.8219 9.0322 9.0322 12.3655 12.3655 14.1193 14.1193 15.2745 15.2745 15.7831 15.7831 17.5122 17.5122 18.0158 18.0158 k = 0.2021 0.1167 0.0825 ( 1724 PWs) bands (ev): -2.8609 -2.8609 -2.8553 -2.8553 -2.8224 -2.8224 -2.8098 -2.8098 -2.4507 -2.4507 -2.3971 -2.3971 -2.3961 -2.3961 -2.2822 -2.2822 -2.2509 -2.2509 -2.2469 -2.2469 1.6817 1.6817 6.4342 6.4342 7.0281 7.0281 7.6107 7.6107 8.8045 8.8045 9.0372 9.0372 12.2253 12.2253 14.1308 14.1308 15.1617 15.1617 15.6810 15.6810 17.4450 17.4450 17.9838 17.9838 k = 0.2128 0.1228 0.0869 ( 1727 PWs) bands (ev): -2.8590 -2.8590 -2.8531 -2.8531 -2.8227 -2.8227 -2.8093 -2.8093 -2.4490 -2.4490 -2.3966 -2.3966 -2.3956 -2.3956 -2.2839 -2.2839 -2.2543 -2.2543 -2.2500 -2.2500 1.7413 1.7413 6.3864 6.3864 7.0392 7.0392 7.6315 7.6315 8.7871 8.7871 9.0431 9.0431 12.0710 12.0710 14.1598 14.1598 15.0507 15.0507 15.5795 15.5795 17.3783 17.3783 17.9520 17.9520 k = 0.2234 0.1290 0.0912 ( 1727 PWs) bands (ev): -2.8571 -2.8571 -2.8508 -2.8508 -2.8228 -2.8228 -2.8088 -2.8088 -2.4473 -2.4473 -2.3959 -2.3959 -2.3951 -2.3951 -2.2856 -2.2856 -2.2578 -2.2578 -2.2531 -2.2531 1.8036 1.8036 6.3374 6.3374 7.0501 7.0501 7.6533 7.6533 8.7698 8.7698 9.0499 9.0499 11.9072 11.9072 14.2013 14.2013 14.9420 14.9420 15.4790 15.4790 17.3124 17.3124 17.9208 17.9208 k = 0.2340 0.1351 0.0955 ( 1721 PWs) bands (ev): -2.8551 -2.8551 -2.8486 -2.8486 -2.8228 -2.8228 -2.8082 -2.8082 -2.4454 -2.4454 -2.3951 -2.3951 -2.3946 -2.3946 -2.2876 -2.2876 -2.2613 -2.2613 -2.2564 -2.2564 1.8684 1.8684 6.2873 6.2873 7.0609 7.0609 7.6758 7.6758 8.7525 8.7525 9.0577 9.0577 11.7377 11.7377 14.2512 14.2512 14.8361 14.8361 15.3794 15.3794 17.2478 17.2478 17.8903 17.8903 k = 0.2447 0.1413 0.0999 ( 1727 PWs) bands (ev): -2.8531 -2.8531 -2.8464 -2.8464 -2.8228 -2.8228 -2.8077 -2.8077 -2.4435 -2.4435 -2.3943 -2.3943 -2.3941 -2.3941 -2.2897 -2.2897 -2.2650 -2.2650 -2.2598 -2.2598 1.9356 1.9356 6.2364 6.2364 7.0713 7.0713 7.6989 7.6989 8.7354 8.7354 9.0666 9.0666 11.5654 11.5654 14.3053 14.3053 14.7343 14.7343 15.2810 15.2810 17.1846 17.1846 17.8607 17.8607 k = 0.2553 0.1474 0.1042 ( 1724 PWs) bands (ev): -2.8510 -2.8510 -2.8444 -2.8444 -2.8225 -2.8225 -2.8072 -2.8072 -2.4415 -2.4415 -2.3936 -2.3936 -2.3934 -2.3934 -2.2919 -2.2919 -2.2686 -2.2686 -2.2632 -2.2632 2.0053 2.0053 6.1847 6.1847 7.0815 7.0815 7.7224 7.7224 8.7185 8.7185 9.0765 9.0765 11.3925 11.3925 14.3576 14.3576 14.6406 14.6406 15.1840 15.1840 17.1232 17.1232 17.8320 17.8320 k = 0.2660 0.1536 0.1086 ( 1712 PWs) bands (ev): -2.8490 -2.8490 -2.8425 -2.8425 -2.8219 -2.8219 -2.8066 -2.8066 -2.4393 -2.4393 -2.3930 -2.3930 -2.3925 -2.3925 -2.2943 -2.2943 -2.2722 -2.2722 -2.2665 -2.2665 2.0772 2.0772 6.1325 6.1325 7.0912 7.0912 7.7459 7.7459 8.7018 8.7018 9.0874 9.0874 11.2207 11.2207 14.3902 14.3902 14.5712 14.5712 15.0885 15.0885 17.0638 17.0638 17.8043 17.8043 k = 0.2766 0.1597 0.1129 ( 1718 PWs) bands (ev): -2.8469 -2.8469 -2.8409 -2.8409 -2.8213 -2.8213 -2.8061 -2.8061 -2.4371 -2.4371 -2.3924 -2.3924 -2.3916 -2.3916 -2.2969 -2.2969 -2.2758 -2.2758 -2.2701 -2.2701 2.1512 2.1512 6.0796 6.0796 7.1005 7.1005 7.7694 7.7694 8.6852 8.6852 9.0993 9.0993 11.0514 11.0514 14.3612 14.3612 14.5669 14.5669 14.9948 14.9948 17.0064 17.0064 17.7777 17.7777 k = 0.2872 0.1658 0.1173 ( 1718 PWs) bands (ev): -2.8449 -2.8449 -2.8395 -2.8395 -2.8202 -2.8202 -2.8057 -2.8057 -2.4348 -2.4348 -2.3917 -2.3917 -2.3905 -2.3905 -2.2997 -2.2997 -2.2794 -2.2794 -2.2736 -2.2736 2.2271 2.2271 6.0263 6.0263 7.1093 7.1093 7.7925 7.7925 8.6689 8.6689 9.1122 9.1122 10.8859 10.8859 14.2852 14.2852 14.6124 14.6124 14.9030 14.9030 16.9512 16.9512 17.7522 17.7522 k = 0.2979 0.1720 0.1216 ( 1718 PWs) bands (ev): -2.8428 -2.8428 -2.8384 -2.8384 -2.8189 -2.8189 -2.8052 -2.8052 -2.4325 -2.4325 -2.3910 -2.3910 -2.3894 -2.3894 -2.3026 -2.3026 -2.2830 -2.2830 -2.2772 -2.2772 2.3049 2.3049 5.9725 5.9725 7.1177 7.1177 7.8152 7.8152 8.6526 8.6526 9.1260 9.1260 10.7250 10.7250 14.1980 14.1980 14.6711 14.6711 14.8134 14.8134 16.8983 16.8983 17.7279 17.7279 k = 0.3085 0.1781 0.1259 ( 1718 PWs) bands (ev): -2.8409 -2.8409 -2.8375 -2.8375 -2.8174 -2.8174 -2.8047 -2.8047 -2.4300 -2.4300 -2.3902 -2.3902 -2.3883 -2.3883 -2.3058 -2.3058 -2.2864 -2.2864 -2.2807 -2.2807 2.3843 2.3843 5.9184 5.9184 7.1254 7.1254 7.8370 7.8370 8.6362 8.6362 9.1406 9.1406 10.5700 10.5700 14.1093 14.1093 14.7262 14.7262 14.7328 14.7328 16.8478 16.8478 17.7049 17.7049 k = 0.3191 0.1843 0.1303 ( 1718 PWs) bands (ev): -2.8389 -2.8389 -2.8368 -2.8368 -2.8156 -2.8156 -2.8043 -2.8043 -2.4275 -2.4275 -2.3894 -2.3894 -2.3871 -2.3871 -2.3091 -2.3091 -2.2899 -2.2899 -2.2843 -2.2843 2.4651 2.4651 5.8639 5.8639 7.1326 7.1326 7.8580 7.8580 8.6196 8.6196 9.1560 9.1560 10.4215 10.4215 14.0220 14.0220 14.6416 14.6416 14.7942 14.7942 16.7999 16.7999 17.6831 17.6831 k = 0.3298 0.1904 0.1346 ( 1718 PWs) bands (ev): -2.8370 -2.8370 -2.8363 -2.8363 -2.8137 -2.8137 -2.8039 -2.8039 -2.4250 -2.4250 -2.3884 -2.3884 -2.3858 -2.3858 -2.3125 -2.3125 -2.2934 -2.2934 -2.2879 -2.2879 2.5470 2.5470 5.8090 5.8090 7.1393 7.1393 7.8778 7.8778 8.6026 8.6026 9.1719 9.1719 10.2805 10.2805 13.9370 13.9370 14.5599 14.5599 14.8542 14.8542 16.7546 16.7546 17.6626 17.6626 k = 0.3404 0.1965 0.1390 ( 1712 PWs) bands (ev): -2.8360 -2.8360 -2.8350 -2.8350 -2.8117 -2.8117 -2.8035 -2.8035 -2.4225 -2.4225 -2.3873 -2.3873 -2.3844 -2.3844 -2.3159 -2.3159 -2.2967 -2.2967 -2.2915 -2.2915 2.6298 2.6298 5.7539 5.7539 7.1454 7.1454 7.8964 7.8964 8.5848 8.5848 9.1883 9.1883 10.1479 10.1479 13.8550 13.8550 14.4813 14.4813 14.9119 14.9119 16.7118 16.7118 17.6434 17.6434 k = 0.3511 0.2027 0.1433 ( 1712 PWs) bands (ev): -2.8357 -2.8357 -2.8331 -2.8331 -2.8097 -2.8097 -2.8032 -2.8032 -2.4199 -2.4199 -2.3861 -2.3861 -2.3829 -2.3829 -2.3195 -2.3195 -2.3001 -2.3001 -2.2951 -2.2951 2.7132 2.7132 5.6985 5.6985 7.1510 7.1510 7.9136 7.9136 8.5660 8.5660 9.2050 9.2050 10.0244 10.0244 13.7764 13.7764 14.4061 14.4061 14.9669 14.9669 16.6718 16.6718 17.6254 17.6254 k = 0.3617 0.2088 0.1477 ( 1712 PWs) bands (ev): -2.8356 -2.8356 -2.8314 -2.8314 -2.8076 -2.8076 -2.8029 -2.8029 -2.4173 -2.4173 -2.3848 -2.3848 -2.3814 -2.3814 -2.3231 -2.3231 -2.3034 -2.3034 -2.2986 -2.2986 2.7968 2.7968 5.6429 5.6429 7.1560 7.1560 7.9293 7.9293 8.5458 8.5458 9.2218 9.2218 9.9109 9.9109 13.7016 13.7016 14.3345 14.3345 15.0188 15.0188 16.6346 16.6346 17.6087 17.6087 k = 0.3723 0.2150 0.1520 ( 1712 PWs) bands (ev): -2.8354 -2.8354 -2.8296 -2.8296 -2.8056 -2.8056 -2.8026 -2.8026 -2.4147 -2.4147 -2.3834 -2.3834 -2.3799 -2.3799 -2.3267 -2.3267 -2.3067 -2.3067 -2.3021 -2.3021 2.8801 2.8801 5.5873 5.5873 7.1604 7.1604 7.9435 7.9435 8.5240 8.5240 9.2385 9.2385 9.8079 9.8079 13.6308 13.6308 14.2668 14.2668 15.0673 15.0673 16.6001 16.6001 17.5933 17.5933 k = 0.3830 0.2211 0.1564 ( 1712 PWs) bands (ev): -2.8353 -2.8353 -2.8280 -2.8280 -2.8037 -2.8037 -2.8024 -2.8024 -2.4121 -2.4121 -2.3819 -2.3819 -2.3783 -2.3783 -2.3304 -2.3304 -2.3100 -2.3100 -2.3055 -2.3055 2.9627 2.9627 5.5319 5.5319 7.1644 7.1644 7.9561 7.9561 8.5004 8.5004 9.2550 9.2550 9.7161 9.7161 13.5643 13.5643 14.2033 14.2033 15.1122 15.1122 16.5684 16.5684 17.5791 17.5791 k = 0.3936 0.2273 0.1607 ( 1718 PWs) bands (ev): -2.8353 -2.8353 -2.8265 -2.8265 -2.8022 -2.8022 -2.8019 -2.8019 -2.4096 -2.4096 -2.3802 -2.3802 -2.3766 -2.3766 -2.3340 -2.3340 -2.3133 -2.3133 -2.3089 -2.3089 3.0439 3.0439 5.4768 5.4768 7.1679 7.1679 7.9672 7.9672 8.4750 8.4750 9.2710 9.2710 9.6356 9.6356 13.5024 13.5024 14.1442 14.1442 15.1533 15.1533 16.5395 16.5395 17.5662 17.5662 k = 0.4043 0.2334 0.1650 ( 1718 PWs) bands (ev): -2.8353 -2.8353 -2.8251 -2.8251 -2.8021 -2.8021 -2.8002 -2.8002 -2.4071 -2.4071 -2.3785 -2.3785 -2.3750 -2.3750 -2.3375 -2.3375 -2.3165 -2.3165 -2.3121 -2.3121 3.1231 3.1231 5.4225 5.4225 7.1710 7.1710 7.9768 7.9768 8.4481 8.4481 9.2863 9.2863 9.5664 9.5664 13.4455 13.4455 14.0898 14.0898 15.1906 15.1906 16.5135 16.5135 17.5545 17.5545 k = 0.4149 0.2395 0.1694 ( 1715 PWs) bands (ev): -2.8352 -2.8352 -2.8237 -2.8237 -2.8020 -2.8020 -2.7986 -2.7986 -2.4047 -2.4047 -2.3766 -2.3766 -2.3733 -2.3733 -2.3409 -2.3409 -2.3196 -2.3196 -2.3152 -2.3152 3.1994 3.1994 5.3695 5.3695 7.1737 7.1737 7.9850 7.9850 8.4202 8.4202 9.3007 9.3007 9.5081 9.5081 13.3937 13.3937 14.0403 14.0403 15.2241 15.2241 16.4902 16.4902 17.5441 17.5441 k = 0.4255 0.2457 0.1737 ( 1706 PWs) bands (ev): -2.8351 -2.8351 -2.8225 -2.8225 -2.8018 -2.8018 -2.7971 -2.7971 -2.4023 -2.4023 -2.3746 -2.3746 -2.3716 -2.3716 -2.3441 -2.3441 -2.3227 -2.3227 -2.3181 -2.3181 3.2718 3.2718 5.3185 5.3185 7.1759 7.1759 7.9919 7.9919 8.3921 8.3921 9.3140 9.3140 9.4600 9.4600 13.3473 13.3473 13.9960 13.9960 15.2536 15.2536 16.4698 16.4698 17.5351 17.5351 k = 0.4362 0.2518 0.1781 ( 1712 PWs) bands (ev): -2.8352 -2.8352 -2.8214 -2.8214 -2.8017 -2.8017 -2.7958 -2.7958 -2.4001 -2.4001 -2.3725 -2.3725 -2.3699 -2.3699 -2.3472 -2.3472 -2.3257 -2.3257 -2.3209 -2.3209 3.3391 3.3391 5.2703 5.2703 7.1778 7.1778 7.9975 7.9975 8.3648 8.3648 9.3260 9.3260 9.4213 9.4213 13.3065 13.3065 13.9570 13.9570 15.2791 15.2791 16.4521 16.4521 17.5271 17.5271 k = 0.4468 0.2580 0.1824 ( 1712 PWs) bands (ev): -2.8351 -2.8351 -2.8205 -2.8205 -2.8017 -2.8017 -2.7947 -2.7947 -2.3980 -2.3980 -2.3704 -2.3704 -2.3683 -2.3683 -2.3501 -2.3501 -2.3285 -2.3285 -2.3235 -2.3235 3.4001 3.4001 5.2260 5.2260 7.1794 7.1794 8.0020 8.0020 8.3395 8.3395 9.3365 9.3365 9.3908 9.3908 13.2716 13.2716 13.9237 13.9237 15.3006 15.3006 16.4373 16.4373 17.5205 17.5205 k = 0.4574 0.2641 0.1868 ( 1712 PWs) bands (ev): -2.8351 -2.8351 -2.8197 -2.8197 -2.8017 -2.8017 -2.7938 -2.7938 -2.3962 -2.3962 -2.3683 -2.3683 -2.3669 -2.3669 -2.3527 -2.3527 -2.3311 -2.3311 -2.3257 -2.3257 3.4532 3.4532 5.1868 5.1868 7.1806 7.1806 8.0056 8.0056 8.3171 8.3171 9.3454 9.3454 9.3675 9.3675 13.2428 13.2428 13.8962 13.8962 15.3182 15.3182 16.4251 16.4251 17.5150 17.5150 k = 0.4681 0.2702 0.1911 ( 1712 PWs) bands (ev): -2.8351 -2.8351 -2.8191 -2.8191 -2.8017 -2.8017 -2.7931 -2.7931 -2.3946 -2.3946 -2.3663 -2.3663 -2.3656 -2.3656 -2.3550 -2.3550 -2.3334 -2.3334 -2.3276 -2.3276 3.4968 3.4968 5.1543 5.1543 7.1815 7.1815 8.0082 8.0082 8.2986 8.2986 9.3505 9.3505 9.3524 9.3524 13.2201 13.2201 13.8746 13.8746 15.3318 15.3318 16.4157 16.4157 17.5108 17.5108 k = 0.4787 0.2764 0.1954 ( 1712 PWs) bands (ev): -2.8351 -2.8351 -2.8186 -2.8186 -2.8017 -2.8017 -2.7925 -2.7925 -2.3934 -2.3934 -2.3646 -2.3646 -2.3644 -2.3644 -2.3569 -2.3569 -2.3352 -2.3352 -2.3290 -2.3290 3.5294 3.5294 5.1297 5.1297 7.1822 7.1822 8.0099 8.0099 8.2848 8.2848 9.3390 9.3390 9.3576 9.3576 13.2039 13.2039 13.8591 13.8591 15.3416 15.3416 16.4090 16.4090 17.5077 17.5077 k = 0.4894 0.2825 0.1998 ( 1718 PWs) bands (ev): -2.8351 -2.8351 -2.8184 -2.8184 -2.8017 -2.8017 -2.7922 -2.7922 -2.3927 -2.3927 -2.3640 -2.3640 -2.3630 -2.3630 -2.3585 -2.3585 -2.3364 -2.3364 -2.3299 -2.3299 3.5496 3.5496 5.1144 5.1144 7.1826 7.1826 8.0110 8.0110 8.2763 8.2763 9.3323 9.3323 9.3607 9.3607 13.1941 13.1941 13.8497 13.8497 15.3474 15.3474 16.4050 16.4050 17.5059 17.5059 k = 0.5000 0.2887 0.2041 ( 1718 PWs) bands (ev): -2.8351 -2.8351 -2.8183 -2.8183 -2.8017 -2.8017 -2.7921 -2.7921 -2.3924 -2.3924 -2.3638 -2.3638 -2.3622 -2.3622 -2.3592 -2.3592 -2.3368 -2.3368 -2.3303 -2.3303 3.5564 3.5564 5.1091 5.1091 7.1827 7.1827 8.0113 8.0113 8.2735 8.2735 9.3301 9.3301 9.3617 9.3617 13.1908 13.1908 13.8466 13.8466 15.3493 15.3493 16.4037 16.4037 17.5053 17.5053 k = 0.5000 0.2887 0.2041 ( 1718 PWs) bands (ev): -2.8351 -2.8351 -2.8183 -2.8183 -2.8017 -2.8017 -2.7921 -2.7921 -2.3924 -2.3924 -2.3638 -2.3638 -2.3622 -2.3622 -2.3592 -2.3592 -2.3368 -2.3368 -2.3303 -2.3303 3.5564 3.5564 5.1091 5.1091 7.1827 7.1827 8.0113 8.0113 8.2735 8.2735 9.3301 9.3301 9.3617 9.3617 13.1908 13.1908 13.8466 13.8466 15.3493 15.3493 16.4037 16.4037 17.5053 17.5053 k = 0.5038 0.2777 0.2103 ( 1714 PWs) bands (ev): -2.8351 -2.8351 -2.8183 -2.8183 -2.8017 -2.8017 -2.7922 -2.7922 -2.3924 -2.3924 -2.3647 -2.3647 -2.3623 -2.3623 -2.3582 -2.3582 -2.3367 -2.3367 -2.3302 -2.3302 3.5582 3.5582 5.1096 5.1096 7.1829 7.1829 8.0115 8.0115 8.2730 8.2730 9.3292 9.3292 9.3615 9.3615 13.1826 13.1826 13.8365 13.8365 15.3487 15.3487 16.4168 16.4168 17.5123 17.5123 k = 0.5076 0.2668 0.2165 ( 1710 PWs) bands (ev): -2.8352 -2.8352 -2.8183 -2.8183 -2.8017 -2.8017 -2.7923 -2.7923 -2.3924 -2.3924 -2.3664 -2.3664 -2.3626 -2.3626 -2.3564 -2.3564 -2.3364 -2.3364 -2.3299 -2.3299 3.5637 3.5637 5.1108 5.1108 7.1833 7.1833 8.0120 8.0120 8.2715 8.2715 9.3263 9.3263 9.3609 9.3609 13.1578 13.1578 13.8074 13.8074 15.3471 15.3471 16.4550 16.4550 17.5331 17.5331 k = 0.5114 0.2559 0.2227 ( 1706 PWs) bands (ev): -2.8354 -2.8354 -2.8183 -2.8183 -2.8018 -2.8018 -2.7925 -2.7924 -2.3925 -2.3925 -2.3684 -2.3684 -2.3631 -2.3631 -2.3543 -2.3543 -2.3360 -2.3360 -2.3295 -2.3295 3.5727 3.5727 5.1129 5.1129 7.1841 7.1841 8.0128 8.0128 8.2691 8.2691 9.3214 9.3214 9.3601 9.3601 13.1160 13.1160 13.7624 13.7624 15.3450 15.3450 16.5145 16.5145 17.5674 17.5674 k = 0.5152 0.2449 0.2289 ( 1709 PWs) bands (ev): -2.8357 -2.8357 -2.8183 -2.8183 -2.8019 -2.8019 -2.7927 -2.7927 -2.3927 -2.3927 -2.3703 -2.3703 -2.3637 -2.3637 -2.3523 -2.3523 -2.3354 -2.3354 -2.3289 -2.3289 3.5854 3.5854 5.1158 5.1158 7.1851 7.1851 8.0141 8.0141 8.2657 8.2657 9.3141 9.3141 9.3593 9.3593 13.0569 13.0569 13.7058 13.7058 15.3430 15.3430 16.5907 16.5907 17.6145 17.6145 k = 0.5189 0.2340 0.2351 ( 1715 PWs) bands (ev): -2.8360 -2.8360 -2.8183 -2.8183 -2.8021 -2.8021 -2.7931 -2.7931 -2.3930 -2.3930 -2.3722 -2.3722 -2.3645 -2.3645 -2.3505 -2.3505 -2.3348 -2.3348 -2.3281 -2.3281 3.6016 3.6016 5.1195 5.1195 7.1862 7.1862 8.0157 8.0157 8.2614 8.2614 9.3046 9.3046 9.3586 9.3586 12.9805 12.9805 13.6418 13.6418 15.3415 15.3415 16.6786 16.6786 17.6728 17.6728 k = 0.5227 0.2231 0.2412 ( 1719 PWs) bands (ev): -2.8364 -2.8364 -2.8184 -2.8184 -2.8023 -2.8023 -2.7934 -2.7934 -2.3933 -2.3933 -2.3738 -2.3738 -2.3654 -2.3654 -2.3488 -2.3488 -2.3341 -2.3341 -2.3270 -2.3270 3.6214 3.6214 5.1240 5.1240 7.1875 7.1875 8.0178 8.0178 8.2560 8.2560 9.2926 9.2926 9.3582 9.3582 12.8878 12.8878 13.5738 13.5738 15.3406 15.3406 16.7739 16.7739 17.7405 17.7405 k = 0.5265 0.2121 0.2474 ( 1723 PWs) bands (ev): -2.8369 -2.8369 -2.8184 -2.8184 -2.8026 -2.8026 -2.7939 -2.7939 -2.3939 -2.3939 -2.3753 -2.3753 -2.3663 -2.3663 -2.3473 -2.3473 -2.3333 -2.3333 -2.3257 -2.3257 3.6448 3.6448 5.1292 5.1292 7.1889 7.1889 8.0204 8.0204 8.2497 8.2497 9.2783 9.2783 9.3582 9.3582 12.7806 12.7806 13.5039 13.5039 15.3403 15.3403 16.8734 16.8734 17.8148 17.8148 k = 0.5303 0.2012 0.2536 ( 1722 PWs) bands (ev): -2.8374 -2.8374 -2.8185 -2.8185 -2.8028 -2.8028 -2.7943 -2.7943 -2.3945 -2.3945 -2.3765 -2.3765 -2.3672 -2.3672 -2.3460 -2.3460 -2.3324 -2.3324 -2.3241 -2.3241 3.6716 3.6716 5.1351 5.1351 7.1902 7.1902 8.0235 8.0235 8.2424 8.2424 9.2617 9.2617 9.3585 9.3585 12.6613 12.6613 13.4332 13.4332 15.3406 15.3406 16.9750 16.9750 17.8933 17.8933 k = 0.5341 0.1903 0.2598 ( 1726 PWs) bands (ev): -2.8380 -2.8380 -2.8186 -2.8186 -2.8032 -2.8032 -2.7948 -2.7948 -2.3954 -2.3954 -2.3775 -2.3775 -2.3682 -2.3682 -2.3451 -2.3451 -2.3314 -2.3314 -2.3224 -2.3224 3.7019 3.7019 5.1417 5.1417 7.1913 7.1913 8.0270 8.0270 8.2342 8.2342 9.2429 9.2429 9.3592 9.3592 12.5325 12.5325 13.3619 13.3619 15.3410 15.3410 17.0777 17.0777 17.9742 17.9742 k = 0.5379 0.1793 0.2660 ( 1726 PWs) bands (ev): -2.8386 -2.8386 -2.8186 -2.8186 -2.8036 -2.8036 -2.7953 -2.7953 -2.3965 -2.3965 -2.3783 -2.3783 -2.3691 -2.3691 -2.3443 -2.3443 -2.3302 -2.3302 -2.3204 -2.3204 3.7357 3.7357 5.1489 5.1489 7.1922 7.1922 8.0309 8.0309 8.2252 8.2252 9.2219 9.2219 9.3603 9.3603 12.3971 12.3971 13.2898 13.2898 15.3415 15.3415 17.1815 17.1815 18.0567 18.0567 k = 0.5417 0.1684 0.2722 ( 1721 PWs) bands (ev): -2.8393 -2.8393 -2.8187 -2.8187 -2.8040 -2.8040 -2.7958 -2.7958 -2.3976 -2.3976 -2.3790 -2.3790 -2.3699 -2.3699 -2.3437 -2.3437 -2.3290 -2.3290 -2.3182 -2.3182 3.7728 3.7728 5.1568 5.1568 7.1927 7.1927 8.0350 8.0350 8.2157 8.2157 9.1989 9.1989 9.3620 9.3620 12.2573 12.2573 13.2167 13.2167 15.3418 15.3418 17.2865 17.2865 18.1406 18.1406 k = 0.5455 0.1575 0.2784 ( 1719 PWs) bands (ev): -2.8401 -2.8401 -2.8188 -2.8188 -2.8045 -2.8045 -2.7962 -2.7962 -2.3989 -2.3989 -2.3795 -2.3795 -2.3707 -2.3707 -2.3433 -2.3433 -2.3279 -2.3279 -2.3159 -2.3159 3.8133 3.8133 5.1651 5.1651 7.1926 7.1926 8.0387 8.0387 8.2059 8.2059 9.1741 9.1741 9.3643 9.3643 12.1154 12.1154 13.1425 13.1425 15.3417 15.3417 17.3933 17.3933 18.2263 18.2263 k = 0.5492 0.1465 0.2845 ( 1719 PWs) bands (ev): -2.8408 -2.8408 -2.8190 -2.8190 -2.8051 -2.8051 -2.7966 -2.7966 -2.4002 -2.4002 -2.3801 -2.3801 -2.3714 -2.3714 -2.3429 -2.3429 -2.3267 -2.3267 -2.3135 -2.3135 3.8570 3.8570 5.1740 5.1740 7.1917 7.1917 8.0413 8.0413 8.1968 8.1968 9.1474 9.1474 9.3672 9.3672 11.9729 11.9729 13.0671 13.0671 15.3409 15.3409 17.5025 17.5025 18.3138 18.3138 k = 0.5530 0.1356 0.2907 ( 1720 PWs) bands (ev): -2.8416 -2.8416 -2.8191 -2.8191 -2.8058 -2.8058 -2.7969 -2.7969 -2.4016 -2.4016 -2.3807 -2.3807 -2.3719 -2.3719 -2.3426 -2.3426 -2.3255 -2.3255 -2.3110 -2.3110 3.9038 3.9038 5.1832 5.1832 7.1899 7.1899 8.0417 8.0417 8.1895 8.1895 9.1192 9.1192 9.3708 9.3708 11.8314 11.8314 12.9905 12.9905 15.3394 15.3394 17.6145 17.6145 18.4033 18.4033 k = 0.5568 0.1247 0.2969 ( 1721 PWs) bands (ev): -2.8425 -2.8425 -2.8194 -2.8194 -2.8065 -2.8065 -2.7972 -2.7972 -2.4030 -2.4030 -2.3814 -2.3814 -2.3724 -2.3724 -2.3423 -2.3423 -2.3244 -2.3244 -2.3085 -2.3085 3.9538 3.9538 5.1929 5.1929 7.1869 7.1869 8.0383 8.0383 8.1855 8.1855 9.0897 9.0897 9.3751 9.3751 11.6922 11.6922 12.9127 12.9127 15.3370 15.3370 17.7297 17.7297 18.4947 18.4947 k = 0.5606 0.1137 0.3031 ( 1719 PWs) bands (ev): -2.8433 -2.8433 -2.8196 -2.8196 -2.8074 -2.8074 -2.7974 -2.7974 -2.4043 -2.4043 -2.3821 -2.3821 -2.3727 -2.3727 -2.3419 -2.3419 -2.3233 -2.3233 -2.3059 -2.3059 4.0067 4.0067 5.2028 5.2028 7.1824 7.1824 8.0296 8.0296 8.1863 8.1863 9.0592 9.0592 9.3801 9.3801 11.5564 11.5564 12.8340 12.8340 15.3335 15.3335 17.8484 17.8484 18.5880 18.5880 k = 0.5644 0.1028 0.3093 ( 1719 PWs) bands (ev): -2.8442 -2.8442 -2.8199 -2.8199 -2.8083 -2.8083 -2.7976 -2.7976 -2.4056 -2.4056 -2.3829 -2.3829 -2.3730 -2.3730 -2.3414 -2.3414 -2.3223 -2.3223 -2.3033 -2.3033 4.0625 4.0625 5.2130 5.2130 7.1760 7.1760 8.0152 8.0152 8.1925 8.1925 9.0278 9.0278 9.3859 9.3859 11.4248 11.4248 12.7545 12.7545 15.3290 15.3290 17.9705 17.9705 18.6828 18.6828 k = 0.5682 0.0919 0.3155 ( 1719 PWs) bands (ev): -2.8450 -2.8450 -2.8202 -2.8202 -2.8092 -2.8092 -2.7976 -2.7976 -2.4069 -2.4069 -2.3838 -2.3838 -2.3733 -2.3733 -2.3409 -2.3409 -2.3214 -2.3214 -2.3007 -2.3007 4.1211 4.1211 5.2234 5.2234 7.1674 7.1674 7.9957 7.9957 8.2038 8.2038 8.9961 8.9961 9.3923 9.3923 11.2983 11.2983 12.6743 12.6743 15.3233 15.3233 18.0961 18.0961 18.7790 18.7790 k = 0.5720 0.0809 0.3217 ( 1717 PWs) bands (ev): -2.8459 -2.8459 -2.8205 -2.8205 -2.8102 -2.8102 -2.7976 -2.7976 -2.4081 -2.4081 -2.3848 -2.3848 -2.3736 -2.3736 -2.3403 -2.3403 -2.3206 -2.3206 -2.2980 -2.2980 4.1822 4.1822 5.2339 5.2339 7.1558 7.1558 7.9721 7.9721 8.2193 8.2193 8.9642 8.9642 9.3993 9.3993 11.1777 11.1777 12.5938 12.5938 15.3164 15.3164 18.2251 18.2251 18.8763 18.8763 k = 0.5758 0.0700 0.3278 ( 1714 PWs) bands (ev): -2.8468 -2.8468 -2.8209 -2.8209 -2.8113 -2.8113 -2.7976 -2.7976 -2.4092 -2.4092 -2.3857 -2.3857 -2.3739 -2.3739 -2.3395 -2.3395 -2.3199 -2.3199 -2.2954 -2.2954 4.2457 4.2457 5.2444 5.2444 7.1408 7.1408 7.9458 7.9458 8.2384 8.2384 8.9326 8.9326 9.4067 9.4067 11.0634 11.0634 12.5131 12.5131 15.3083 15.3083 18.3570 18.3570 18.9743 18.9743 k = 0.5795 0.0590 0.3340 ( 1716 PWs) bands (ev): -2.8476 -2.8476 -2.8214 -2.8214 -2.8124 -2.8124 -2.7974 -2.7974 -2.4102 -2.4102 -2.3868 -2.3868 -2.3743 -2.3743 -2.3386 -2.3386 -2.3192 -2.3192 -2.2928 -2.2928 4.3115 4.3115 5.2549 5.2549 7.1215 7.1215 7.9181 7.9181 8.2605 8.2605 8.9016 8.9016 9.4144 9.4144 10.9562 10.9562 12.4325 12.4325 15.2990 15.2990 18.4916 18.4916 19.0726 19.0726 k = 0.5833 0.0481 0.3402 ( 1720 PWs) bands (ev): -2.8485 -2.8485 -2.8219 -2.8219 -2.8135 -2.8135 -2.7972 -2.7972 -2.4112 -2.4112 -2.3878 -2.3878 -2.3747 -2.3747 -2.3377 -2.3377 -2.3187 -2.3187 -2.2902 -2.2902 4.3792 4.3792 5.2653 5.2653 7.0972 7.0972 7.8903 7.8903 8.2850 8.2850 8.8715 8.8715 9.4220 9.4220 10.8566 10.8566 12.3522 12.3522 15.2885 15.2885 18.6284 18.6284 19.1709 19.1709 k = 0.5871 0.0372 0.3464 ( 1716 PWs) bands (ev): -2.8493 -2.8493 -2.8225 -2.8225 -2.8146 -2.8146 -2.7969 -2.7969 -2.4121 -2.4121 -2.3888 -2.3888 -2.3752 -2.3752 -2.3366 -2.3366 -2.3182 -2.3182 -2.2876 -2.2876 4.4485 4.4485 5.2754 5.2754 7.0670 7.0670 7.8639 7.8639 8.3117 8.3117 8.8425 8.8425 9.4293 9.4293 10.7649 10.7649 12.2725 12.2725 15.2768 15.2768 18.7666 18.7666 19.2687 19.2687 k = 0.5909 0.0262 0.3526 ( 1718 PWs) bands (ev): -2.8500 -2.8500 -2.8231 -2.8231 -2.8157 -2.8157 -2.7966 -2.7966 -2.4129 -2.4129 -2.3898 -2.3898 -2.3757 -2.3757 -2.3354 -2.3354 -2.3179 -2.3179 -2.2851 -2.2851 4.5192 4.5192 5.2852 5.2852 7.0304 7.0304 7.8403 7.8403 8.3403 8.3403 8.8148 8.8148 9.4358 9.4358 10.6818 10.6818 12.1936 12.1936 15.2640 15.2640 18.9054 18.9054 19.3648 19.3648 k = 0.5947 0.0153 0.3588 ( 1721 PWs) bands (ev): -2.8507 -2.8507 -2.8238 -2.8238 -2.8169 -2.8169 -2.7963 -2.7963 -2.4136 -2.4136 -2.3908 -2.3908 -2.3764 -2.3764 -2.3342 -2.3342 -2.3176 -2.3176 -2.2826 -2.2826 4.5907 4.5907 5.2946 5.2946 6.9871 6.9871 7.8206 7.8206 8.3704 8.3704 8.7887 8.7887 9.4410 9.4410 10.6076 10.6076 12.1158 12.1158 15.2500 15.2500 19.0439 19.0439 19.4300 19.4300 k = 0.5985 0.0044 0.3649 ( 1719 PWs) bands (ev): -2.8514 -2.8514 -2.8244 -2.8244 -2.8181 -2.8181 -2.7959 -2.7959 -2.4142 -2.4142 -2.3917 -2.3917 -2.3770 -2.3770 -2.3328 -2.3328 -2.3175 -2.3175 -2.2801 -2.2801 4.6627 4.6627 5.3032 5.3032 6.9374 6.9374 7.8058 7.8058 8.4016 8.4016 8.7642 8.7642 9.4444 9.4444 10.5429 10.5429 12.0394 12.0394 15.2350 15.2350 19.1798 19.1798 19.3230 19.3230 k = 0.6023-0.0066 0.3711 ( 1720 PWs) bands (ev): -2.8520 -2.8520 -2.8251 -2.8251 -2.8192 -2.8192 -2.7955 -2.7955 -2.4147 -2.4147 -2.3927 -2.3927 -2.3778 -2.3778 -2.3315 -2.3315 -2.3175 -2.3175 -2.2776 -2.2776 4.7345 4.7345 5.3110 5.3110 6.8819 6.8819 7.7962 7.7962 8.4338 8.4338 8.7415 8.7415 9.4453 9.4453 10.4881 10.4881 11.9646 11.9646 15.2189 15.2189 19.1915 19.1915 19.3208 19.3208 k = 0.6061-0.0175 0.3773 ( 1716 PWs) bands (ev): -2.8526 -2.8526 -2.8258 -2.8258 -2.8204 -2.8204 -2.7950 -2.7950 -2.4151 -2.4151 -2.3936 -2.3936 -2.3785 -2.3785 -2.3300 -2.3300 -2.3175 -2.3175 -2.2751 -2.2751 4.8053 4.8053 5.3174 5.3174 6.8222 6.8222 7.7922 7.7922 8.4662 8.4662 8.7208 8.7208 9.4433 9.4433 10.4436 10.4436 11.8918 11.8918 15.2017 15.2017 19.0682 19.0682 19.4501 19.4501 k = 0.6098-0.0284 0.3835 ( 1716 PWs) bands (ev): -2.8531 -2.8531 -2.8266 -2.8266 -2.8215 -2.8215 -2.7945 -2.7945 -2.4155 -2.4155 -2.3944 -2.3944 -2.3793 -2.3793 -2.3286 -2.3286 -2.3177 -2.3177 -2.2728 -2.2728 4.8743 4.8743 5.3222 5.3222 6.7602 6.7602 7.7936 7.7936 8.4984 8.4984 8.7023 8.7023 9.4379 9.4379 10.4097 10.4097 11.8212 11.8212 15.1835 15.1835 18.9446 18.9446 19.5757 19.5757 k = 0.6136-0.0394 0.3897 ( 1720 PWs) bands (ev): -2.8535 -2.8535 -2.8274 -2.8274 -2.8227 -2.8227 -2.7941 -2.7941 -2.4158 -2.4158 -2.3953 -2.3953 -2.3802 -2.3802 -2.3272 -2.3272 -2.3179 -2.3179 -2.2704 -2.2704 4.9402 4.9402 5.3248 5.3248 6.6982 6.6982 7.8002 7.8002 8.5294 8.5294 8.6867 8.6867 9.4290 9.4290 10.3864 10.3864 11.7533 11.7533 15.1642 15.1642 18.8227 18.8227 19.6947 19.6947 k = 0.6174-0.0503 0.3959 ( 1722 PWs) bands (ev): -2.8539 -2.8539 -2.8281 -2.8281 -2.8238 -2.8238 -2.7936 -2.7936 -2.4160 -2.4160 -2.3961 -2.3961 -2.3811 -2.3811 -2.3258 -2.3258 -2.3181 -2.3181 -2.2681 -2.2681 5.0015 5.0015 5.3246 5.3246 6.6391 6.6391 7.8116 7.8116 8.5574 8.5574 8.6750 8.6750 9.4168 9.4168 10.3736 10.3736 11.6883 11.6883 15.1439 15.1439 18.7031 18.7031 19.8057 19.8057 k = 0.6212-0.0612 0.4021 ( 1722 PWs) bands (ev): -2.8542 -2.8542 -2.8289 -2.8289 -2.8249 -2.8249 -2.7931 -2.7931 -2.4161 -2.4161 -2.3968 -2.3968 -2.3820 -2.3820 -2.3246 -2.3246 -2.3183 -2.3183 -2.2658 -2.2658 5.0559 5.0559 5.3216 5.3216 6.5860 6.5860 7.8274 7.8274 8.5794 8.5794 8.6701 8.6701 9.4018 9.4018 10.3707 10.3707 11.6267 11.6267 15.1226 15.1226 18.5859 18.5859 19.9077 19.9077 k = 0.6250-0.0722 0.4082 ( 1710 PWs) bands (ev): -2.8543 -2.8543 -2.8296 -2.8296 -2.8259 -2.8259 -2.7926 -2.7926 -2.4161 -2.4161 -2.3974 -2.3974 -2.3829 -2.3829 -2.3237 -2.3237 -2.3182 -2.3182 -2.2635 -2.2635 5.0997 5.0997 5.3168 5.3168 6.5423 6.5423 7.8471 7.8471 8.5914 8.5914 8.6753 8.6753 9.3849 9.3849 10.3771 10.3771 11.5690 11.5690 15.1003 15.1003 18.4715 18.4715 20.0005 20.0005 k = 0.6250-0.0722 0.4082 ( 1710 PWs) bands (ev): -2.8543 -2.8543 -2.8296 -2.8296 -2.8259 -2.8259 -2.7926 -2.7926 -2.4161 -2.4161 -2.3974 -2.3974 -2.3829 -2.3829 -2.3237 -2.3237 -2.3182 -2.3182 -2.2635 -2.2635 5.0997 5.0997 5.3168 5.3168 6.5423 6.5423 7.8471 7.8471 8.5914 8.5914 8.6753 8.6753 9.3849 9.3849 10.3771 10.3771 11.5690 11.5690 15.1003 15.1003 18.4715 18.4715 20.0005 20.0005 k = 0.6184-0.0684 0.4190 ( 1720 PWs) bands (ev): -2.8544 -2.8544 -2.8297 -2.8297 -2.8259 -2.8259 -2.7927 -2.7927 -2.4162 -2.4162 -2.3973 -2.3973 -2.3829 -2.3829 -2.3242 -2.3242 -2.3178 -2.3178 -2.2636 -2.2636 5.1011 5.1011 5.3169 5.3169 6.5434 6.5434 7.8441 7.8441 8.5870 8.5870 8.6806 8.6806 9.3855 9.3855 10.3733 10.3733 11.5669 11.5669 15.1100 15.1100 18.4739 18.4739 19.9112 19.9112 k = 0.6118-0.0646 0.4297 ( 1720 PWs) bands (ev): -2.8544 -2.8544 -2.8299 -2.8299 -2.8255 -2.8255 -2.7928 -2.7928 -2.4164 -2.4164 -2.3971 -2.3971 -2.3827 -2.3827 -2.3252 -2.3252 -2.3168 -2.3168 -2.2638 -2.2638 5.1052 5.1052 5.3171 5.3171 6.5466 6.5466 7.8353 7.8353 8.5768 8.5768 8.6939 8.6939 9.3874 9.3874 10.3620 10.3620 11.5608 11.5608 15.1391 15.1391 18.4813 18.4813 19.7642 19.7642 k = 0.6053-0.0608 0.4405 ( 1718 PWs) bands (ev): -2.8544 -2.8544 -2.8301 -2.8301 -2.8250 -2.8250 -2.7929 -2.7929 -2.4166 -2.4166 -2.3968 -2.3968 -2.3825 -2.3825 -2.3266 -2.3266 -2.3155 -2.3155 -2.2641 -2.2641 5.1119 5.1119 5.3176 5.3176 6.5520 6.5520 7.8206 7.8206 8.5650 8.5650 8.7107 8.7107 9.3906 9.3906 10.3434 10.3434 11.5511 11.5511 15.1867 15.1867 18.4937 18.4937 19.6087 19.6087 k = 0.5987-0.0570 0.4512 ( 1718 PWs) bands (ev): -2.8545 -2.8545 -2.8304 -2.8304 -2.8244 -2.8244 -2.7931 -2.7931 -2.4169 -2.4169 -2.3964 -2.3964 -2.3821 -2.3821 -2.3281 -2.3281 -2.3141 -2.3141 -2.2647 -2.2647 5.1212 5.1212 5.3182 5.3182 6.5596 6.5596 7.7998 7.7998 8.5542 8.5542 8.7286 8.7286 9.3952 9.3952 10.3180 10.3180 11.5385 11.5385 15.2517 15.2517 18.5112 18.5112 19.4510 19.4510 k = 0.5921-0.0532 0.4620 ( 1716 PWs) bands (ev): -2.8546 -2.8546 -2.8306 -2.8306 -2.8238 -2.8238 -2.7934 -2.7934 -2.4173 -2.4173 -2.3960 -2.3960 -2.3816 -2.3816 -2.3296 -2.3296 -2.3126 -2.3126 -2.2653 -2.2653 5.1330 5.1330 5.3191 5.3191 6.5693 6.5693 7.7730 7.7730 8.5457 8.5457 8.7460 8.7460 9.4014 9.4014 10.2863 10.2863 11.5237 11.5237 15.3328 15.3328 18.5339 18.5339 19.2928 19.2928 k = 0.5855-0.0494 0.4727 ( 1715 PWs) bands (ev): -2.8546 -2.8546 -2.8308 -2.8308 -2.8230 -2.8230 -2.7937 -2.7937 -2.4177 -2.4177 -2.3955 -2.3955 -2.3811 -2.3811 -2.3312 -2.3312 -2.3110 -2.3110 -2.2661 -2.2661 5.1470 5.1470 5.3202 5.3202 6.5812 6.5812 7.7403 7.7403 8.5402 8.5402 8.7620 8.7620 9.4091 9.4091 10.2491 10.2491 11.5075 11.5075 15.4284 15.4284 18.5620 18.5620 19.1351 19.1351 k = 0.5789-0.0456 0.4835 ( 1715 PWs) bands (ev): -2.8547 -2.8547 -2.8309 -2.8309 -2.8222 -2.8222 -2.7941 -2.7941 -2.4182 -2.4182 -2.3950 -2.3950 -2.3803 -2.3803 -2.3329 -2.3329 -2.3095 -2.3095 -2.2671 -2.2671 5.1632 5.1632 5.3216 5.3216 6.5953 6.5953 7.7019 7.7019 8.5379 8.5379 8.7760 8.7760 9.4185 9.4185 10.2074 10.2074 11.4907 11.4907 15.5367 15.5367 18.5954 18.5954 18.9785 18.9785 k = 0.5724-0.0418 0.4942 ( 1715 PWs) bands (ev): -2.8549 -2.8549 -2.8311 -2.8311 -2.8214 -2.8214 -2.7946 -2.7946 -2.4186 -2.4186 -2.3945 -2.3945 -2.3795 -2.3795 -2.3345 -2.3345 -2.3079 -2.3079 -2.2682 -2.2682 5.1811 5.1811 5.3233 5.3233 6.6117 6.6117 7.6581 7.6581 8.5391 8.5391 8.7875 8.7875 9.4296 9.4296 10.1621 10.1621 11.4738 11.4738 15.6560 15.6560 18.6333 18.6333 18.8246 18.8246 k = 0.5658-0.0380 0.5049 ( 1717 PWs) bands (ev): -2.8550 -2.8550 -2.8312 -2.8312 -2.8205 -2.8205 -2.7951 -2.7951 -2.4191 -2.4191 -2.3941 -2.3941 -2.3785 -2.3785 -2.3362 -2.3362 -2.3063 -2.3063 -2.2694 -2.2694 5.2006 5.2006 5.3253 5.3253 6.6302 6.6302 7.6094 7.6094 8.5435 8.5435 8.7963 8.7963 9.4425 9.4425 10.1143 10.1143 11.4574 11.4574 15.7845 15.7845 18.6440 18.6440 18.7057 18.7057 k = 0.5592-0.0342 0.5157 ( 1721 PWs) bands (ev): -2.8552 -2.8552 -2.8312 -2.8312 -2.8197 -2.8197 -2.7956 -2.7956 -2.4195 -2.4195 -2.3937 -2.3937 -2.3775 -2.3775 -2.3379 -2.3379 -2.3047 -2.3047 -2.2708 -2.2708 5.2212 5.2212 5.3278 5.3278 6.6510 6.6510 7.5563 7.5563 8.5509 8.5509 8.8023 8.8023 9.4569 9.4569 10.0650 10.0650 11.4418 11.4418 15.9204 15.9204 18.5082 18.5082 18.7417 18.7417 k = 0.5526-0.0304 0.5264 ( 1721 PWs) bands (ev): -2.8553 -2.8553 -2.8312 -2.8312 -2.8188 -2.8188 -2.7962 -2.7962 -2.4199 -2.4199 -2.3934 -2.3934 -2.3763 -2.3763 -2.3396 -2.3396 -2.3031 -2.3031 -2.2722 -2.2722 5.2422 5.2422 5.3308 5.3308 6.6739 6.6739 7.4996 7.4996 8.5610 8.5610 8.8053 8.8053 9.4729 9.4729 10.0155 10.0155 11.4272 11.4272 16.0621 16.0621 18.3585 18.3585 18.8007 18.8007 k = 0.5461-0.0266 0.5372 ( 1725 PWs) bands (ev): -2.8555 -2.8555 -2.8312 -2.8312 -2.8179 -2.8179 -2.7968 -2.7968 -2.4203 -2.4203 -2.3931 -2.3931 -2.3750 -2.3750 -2.3413 -2.3413 -2.3014 -2.3014 -2.2738 -2.2738 5.2632 5.2632 5.3345 5.3345 6.6991 6.6991 7.4401 7.4401 8.5733 8.5733 8.8055 8.8055 9.4902 9.4902 9.9668 9.9668 11.4139 11.4139 16.2079 16.2079 18.2096 18.2096 18.8688 18.8688 k = 0.5395-0.0228 0.5479 ( 1725 PWs) bands (ev): -2.8556 -2.8556 -2.8312 -2.8312 -2.8171 -2.8171 -2.7973 -2.7973 -2.4206 -2.4206 -2.3929 -2.3929 -2.3737 -2.3737 -2.3429 -2.3429 -2.2997 -2.2997 -2.2754 -2.2754 5.2831 5.2831 5.3392 5.3392 6.7262 6.7262 7.3789 7.3789 8.5873 8.5873 8.8032 8.8032 9.5084 9.5084 9.9198 9.9198 11.4021 11.4021 16.3562 16.3562 18.0626 18.0626 18.9457 18.9457 k = 0.5329-0.0190 0.5587 ( 1728 PWs) bands (ev): -2.8557 -2.8557 -2.8312 -2.8312 -2.8162 -2.8162 -2.7979 -2.7979 -2.4209 -2.4209 -2.3927 -2.3927 -2.3724 -2.3724 -2.3445 -2.3445 -2.2980 -2.2980 -2.2771 -2.2771 5.3007 5.3007 5.3454 5.3454 6.7551 6.7551 7.3173 7.3173 8.6024 8.6024 8.7987 8.7987 9.5270 9.5270 9.8757 9.8757 11.3917 11.3917 16.5054 16.5054 17.9175 17.9175 19.0318 19.0318 k = 0.5263-0.0152 0.5694 ( 1730 PWs) bands (ev): -2.8559 -2.8559 -2.8311 -2.8311 -2.8155 -2.8155 -2.7985 -2.7985 -2.4212 -2.4212 -2.3926 -2.3926 -2.3711 -2.3711 -2.3459 -2.3459 -2.2962 -2.2962 -2.2789 -2.2789 5.3150 5.3150 5.3532 5.3532 6.7854 6.7854 7.2570 7.2570 8.6178 8.6178 8.7925 8.7925 9.5456 9.5456 9.8355 9.8355 11.3830 11.3830 16.6542 16.6542 17.7747 17.7747 19.1275 19.1275 k = 0.5197-0.0114 0.5801 ( 1730 PWs) bands (ev): -2.8560 -2.8560 -2.8311 -2.8311 -2.8149 -2.8149 -2.7990 -2.7990 -2.4214 -2.4214 -2.3925 -2.3925 -2.3700 -2.3700 -2.3472 -2.3472 -2.2945 -2.2945 -2.2806 -2.2806 5.3256 5.3256 5.3621 5.3621 6.8158 6.8158 7.2004 7.2004 8.6325 8.6325 8.7855 8.7855 9.5631 9.5631 9.8007 9.8007 11.3761 11.3761 16.8009 16.8009 17.6345 17.6345 19.2334 19.2334 k = 0.5132-0.0076 0.5909 ( 1721 PWs) bands (ev): -2.8560 -2.8560 -2.8310 -2.8310 -2.8143 -2.8143 -2.7993 -2.7993 -2.4215 -2.4215 -2.3924 -2.3924 -2.3690 -2.3690 -2.3481 -2.3481 -2.2928 -2.2928 -2.2822 -2.2822 5.3332 5.3332 5.3699 5.3699 6.8442 6.8442 7.1514 7.1514 8.6452 8.6452 8.7787 8.7787 9.5780 9.5780 9.7729 9.7729 11.3710 11.3710 16.9440 16.9440 17.4972 17.4972 19.3495 19.3495 k = 0.5066-0.0038 0.6016 ( 1719 PWs) bands (ev): -2.8560 -2.8560 -2.8309 -2.8309 -2.8140 -2.8140 -2.7996 -2.7996 -2.4216 -2.4216 -2.3924 -2.3924 -2.3683 -2.3683 -2.3488 -2.3488 -2.2914 -2.2914 -2.2836 -2.2836 5.3386 5.3386 5.3748 5.3748 6.8659 6.8659 7.1160 7.1160 8.6540 8.6540 8.7737 8.7737 9.5883 9.5883 9.7548 9.7548 11.3678 11.3678 17.0807 17.0807 17.3646 17.3646 19.4735 19.4735 k = 0.5000-0.0000 0.6124 ( 1708 PWs) bands (ev): -2.8560 -2.8560 -2.8309 -2.8309 -2.8138 -2.8138 -2.7996 -2.7996 -2.4216 -2.4216 -2.3923 -2.3923 -2.3680 -2.3680 -2.3490 -2.3490 -2.2908 -2.2908 -2.2842 -2.2842 5.3410 5.3410 5.3761 5.3761 6.8743 6.8743 7.1027 7.1027 8.6571 8.6571 8.7718 8.7718 9.5918 9.5918 9.7485 9.7485 11.3667 11.3667 17.1784 17.1784 17.2684 17.2684 19.5679 19.5679 k = 0.5000-0.0000 0.6124 ( 1708 PWs) bands (ev): -2.8560 -2.8560 -2.8309 -2.8309 -2.8138 -2.8138 -2.7996 -2.7996 -2.4216 -2.4216 -2.3923 -2.3923 -2.3680 -2.3680 -2.3490 -2.3490 -2.2908 -2.2908 -2.2842 -2.2842 5.3410 5.3410 5.3761 5.3761 6.8743 6.8743 7.1027 7.1027 8.6571 8.6571 8.7718 8.7718 9.5918 9.5918 9.7485 9.7485 11.3667 11.3667 17.1784 17.1784 17.2684 17.2684 19.5679 19.5679 k = 0.5000 0.0076 0.6016 ( 1714 PWs) bands (ev): -2.8560 -2.8560 -2.8308 -2.8308 -2.8139 -2.8139 -2.7996 -2.7996 -2.4216 -2.4216 -2.3923 -2.3923 -2.3681 -2.3681 -2.3490 -2.3490 -2.2909 -2.2909 -2.2843 -2.2843 5.3364 5.3364 5.3726 5.3726 6.8824 6.8824 7.1031 7.1031 8.6524 8.6524 8.7743 8.7743 9.5876 9.5876 9.7564 9.7564 11.3706 11.3706 17.1743 17.1743 17.2653 17.2653 19.5705 19.5705 k = 0.5000 0.0152 0.5909 ( 1724 PWs) bands (ev): -2.8559 -2.8559 -2.8308 -2.8308 -2.8139 -2.8139 -2.7997 -2.7997 -2.4215 -2.4215 -2.3923 -2.3923 -2.3681 -2.3681 -2.3491 -2.3491 -2.2911 -2.2911 -2.2845 -2.2845 5.3194 5.3194 5.3658 5.3658 6.9062 6.9062 7.1042 7.1042 8.6392 8.6392 8.7808 8.7808 9.5768 9.5768 9.7783 9.7783 11.3822 11.3822 17.1608 17.1608 17.2577 17.2577 19.5782 19.5782 k = 0.5000 0.0228 0.5801 ( 1726 PWs) bands (ev): -2.8558 -2.8558 -2.8306 -2.8306 -2.8138 -2.8138 -2.7997 -2.7997 -2.4213 -2.4213 -2.3921 -2.3921 -2.3681 -2.3681 -2.3492 -2.3492 -2.2914 -2.2914 -2.2848 -2.2848 5.2871 5.2871 5.3601 5.3601 6.9440 6.9440 7.1060 7.1060 8.6200 8.6200 8.7893 8.7893 9.5627 9.5627 9.8107 9.8107 11.4015 11.4015 17.1349 17.1349 17.2495 17.2495 19.5912 19.5912 k = 0.5000 0.0304 0.5694 ( 1726 PWs) bands (ev): -2.8555 -2.8555 -2.8303 -2.8303 -2.8137 -2.8137 -2.7997 -2.7997 -2.4211 -2.4211 -2.3919 -2.3919 -2.3681 -2.3681 -2.3492 -2.3492 -2.2919 -2.2919 -2.2852 -2.2852 5.2416 5.2416 5.3554 5.3554 6.9935 6.9935 7.1086 7.1086 8.5965 8.5965 8.7984 8.7984 9.5473 9.5473 9.8514 9.8514 11.4280 11.4280 17.0952 17.0952 17.2434 17.2434 19.6094 19.6094 k = 0.5000 0.0380 0.5587 ( 1720 PWs) bands (ev): -2.8552 -2.8552 -2.8299 -2.8299 -2.8135 -2.8135 -2.7997 -2.7997 -2.4208 -2.4208 -2.3916 -2.3916 -2.3681 -2.3681 -2.3493 -2.3493 -2.2924 -2.2924 -2.2856 -2.2856 5.1862 5.1862 5.3507 5.3507 7.0520 7.0520 7.1125 7.1125 8.5702 8.5702 8.8074 8.8074 9.5318 9.5318 9.8991 9.8991 11.4617 11.4617 17.0430 17.0430 17.2396 17.2396 19.6326 19.6326 k = 0.5000 0.0456 0.5479 ( 1718 PWs) bands (ev): -2.8549 -2.8549 -2.8295 -2.8295 -2.8133 -2.8133 -2.7997 -2.7997 -2.4204 -2.4204 -2.3913 -2.3913 -2.3681 -2.3681 -2.3494 -2.3494 -2.2931 -2.2931 -2.2863 -2.2863 5.1234 5.1234 5.3457 5.3457 7.1065 7.1065 7.1282 7.1282 8.5418 8.5418 8.8161 8.8161 9.5166 9.5166 9.9532 9.9532 11.5021 11.5021 16.9806 16.9806 17.2374 17.2374 19.6606 19.6606 k = 0.5000 0.0532 0.5372 ( 1718 PWs) bands (ev): -2.8544 -2.8544 -2.8289 -2.8289 -2.8131 -2.8131 -2.7997 -2.7997 -2.4200 -2.4200 -2.3909 -2.3909 -2.3681 -2.3681 -2.3494 -2.3494 -2.2939 -2.2939 -2.2870 -2.2870 5.0553 5.0553 5.3401 5.3401 7.1169 7.1169 7.1935 7.1935 8.5121 8.5121 8.8246 8.8246 9.5020 9.5020 10.0133 10.0133 11.5489 11.5489 16.9104 16.9104 17.2361 17.2361 19.6934 19.6934 k = 0.5000 0.0608 0.5264 ( 1716 PWs) bands (ev): -2.8540 -2.8540 -2.8284 -2.8284 -2.8129 -2.8129 -2.7997 -2.7997 -2.4195 -2.4195 -2.3904 -2.3904 -2.3682 -2.3682 -2.3495 -2.3495 -2.2948 -2.2948 -2.2878 -2.2878 4.9835 4.9835 5.3338 5.3338 7.1222 7.1222 7.2676 7.2676 8.4816 8.4816 8.8331 8.8331 9.4879 9.4879 10.0792 10.0792 11.6015 11.6015 16.8341 16.8341 17.2354 17.2354 19.7306 19.7306 k = 0.5000 0.0684 0.5157 ( 1716 PWs) bands (ev): -2.8534 -2.8534 -2.8277 -2.8277 -2.8127 -2.8127 -2.7997 -2.7997 -2.4189 -2.4189 -2.3899 -2.3899 -2.3682 -2.3682 -2.3495 -2.3495 -2.2958 -2.2958 -2.2888 -2.2888 4.9093 4.9093 5.3269 5.3269 7.1274 7.1274 7.3438 7.3438 8.4506 8.4506 8.8418 8.8418 9.4745 9.4745 10.1508 10.1508 11.6597 11.6597 16.7533 16.7533 17.2349 17.2349 19.7717 19.7717 k = 0.5000 0.0760 0.5049 ( 1712 PWs) bands (ev): -2.8528 -2.8528 -2.8271 -2.8271 -2.8124 -2.8124 -2.7997 -2.7997 -2.4182 -2.4182 -2.3894 -2.3894 -2.3683 -2.3683 -2.3495 -2.3495 -2.2969 -2.2969 -2.2898 -2.2898 4.8337 4.8337 5.3195 5.3195 7.1329 7.1329 7.4202 7.4202 8.4197 8.4197 8.8510 8.8510 9.4617 9.4617 10.2279 10.2279 11.7230 11.7230 16.6692 16.6692 17.2346 17.2346 19.8163 19.8163 k = 0.5000 0.0836 0.4942 ( 1716 PWs) bands (ev): -2.8522 -2.8522 -2.8264 -2.8264 -2.8121 -2.8121 -2.7997 -2.7997 -2.4175 -2.4175 -2.3888 -2.3888 -2.3685 -2.3685 -2.3496 -2.3496 -2.2982 -2.2982 -2.2910 -2.2910 4.7575 4.7575 5.3115 5.3115 7.1385 7.1385 7.4957 7.4957 8.3891 8.3891 8.8611 8.8611 9.4498 9.4498 10.3106 10.3106 11.7909 11.7909 16.5830 16.5830 17.2342 17.2342 19.8635 19.8635 k = 0.5000 0.0912 0.4835 ( 1716 PWs) bands (ev): -2.8515 -2.8515 -2.8257 -2.8257 -2.8118 -2.8118 -2.7997 -2.7997 -2.4167 -2.4167 -2.3882 -2.3882 -2.3686 -2.3686 -2.3495 -2.3495 -2.2995 -2.2995 -2.2923 -2.2923 4.6815 4.6815 5.3029 5.3029 7.1443 7.1443 7.5692 7.5692 8.3592 8.3592 8.8724 8.8724 9.4386 9.4386 10.3987 10.3987 11.8631 11.8631 16.4956 16.4956 17.2337 17.2337 19.9120 19.9120 k = 0.5000 0.0988 0.4727 ( 1718 PWs) bands (ev): -2.8508 -2.8508 -2.8249 -2.8249 -2.8114 -2.8114 -2.7997 -2.7997 -2.4159 -2.4159 -2.3875 -2.3875 -2.3689 -2.3689 -2.3494 -2.3494 -2.3009 -2.3009 -2.2937 -2.2937 4.6060 4.6060 5.2939 5.2939 7.1501 7.1501 7.6397 7.6397 8.3302 8.3302 8.8851 8.8851 9.4282 9.4282 10.4922 10.4922 11.9391 11.9391 16.4078 16.4078 17.2330 17.2330 19.9596 19.9596 k = 0.5000 0.1064 0.4620 ( 1718 PWs) bands (ev): -2.8501 -2.8501 -2.8242 -2.8242 -2.8110 -2.8110 -2.7996 -2.7996 -2.4149 -2.4149 -2.3868 -2.3868 -2.3691 -2.3691 -2.3493 -2.3493 -2.3024 -2.3024 -2.2952 -2.2952 4.5317 4.5317 5.2845 5.2845 7.1558 7.1558 7.7063 7.7063 8.3024 8.3024 8.8994 8.8994 9.4186 9.4186 10.5911 10.5911 12.0185 12.0185 16.3203 16.3203 17.2318 17.2318 20.0028 20.0028 k = 0.5000 0.1140 0.4512 ( 1718 PWs) bands (ev): -2.8493 -2.8493 -2.8235 -2.8235 -2.8106 -2.8106 -2.7995 -2.7995 -2.4139 -2.4139 -2.3861 -2.3861 -2.3695 -2.3695 -2.3491 -2.3491 -2.3040 -2.3040 -2.2967 -2.2967 4.4588 4.4588 5.2748 5.2748 7.1615 7.1615 7.7686 7.7686 8.2761 8.2761 8.9156 8.9156 9.4099 9.4099 10.6953 10.6953 12.1010 12.1010 16.2338 16.2338 17.2302 17.2302 20.0351 20.0351 k = 0.5000 0.1215 0.4405 ( 1718 PWs) bands (ev): -2.8485 -2.8485 -2.8228 -2.8228 -2.8101 -2.8101 -2.7994 -2.7994 -2.4128 -2.4128 -2.3853 -2.3853 -2.3698 -2.3698 -2.3488 -2.3488 -2.3057 -2.3057 -2.2984 -2.2984 4.3877 4.3877 5.2648 5.2648 7.1669 7.1669 7.8258 7.8258 8.2515 8.2515 8.9337 8.9337 9.4019 9.4019 10.8048 10.8048 12.1861 12.1861 16.1487 16.1487 17.2280 17.2280 20.0393 20.0393 k = 0.5000 0.1291 0.4297 ( 1718 PWs) bands (ev): -2.8476 -2.8476 -2.8222 -2.8222 -2.8096 -2.8096 -2.7992 -2.7992 -2.4117 -2.4117 -2.3846 -2.3846 -2.3701 -2.3701 -2.3485 -2.3485 -2.3074 -2.3074 -2.3001 -2.3001 4.3186 4.3186 5.2546 5.2546 7.1720 7.1720 7.8776 7.8776 8.2288 8.2288 8.9536 8.9536 9.3948 9.3948 10.9193 10.9193 12.2733 12.2733 16.0656 16.0656 17.2251 17.2251 19.9661 19.9661 k = 0.5000 0.1367 0.4190 ( 1718 PWs) bands (ev): -2.8468 -2.8468 -2.8216 -2.8216 -2.8090 -2.8090 -2.7991 -2.7991 -2.4105 -2.4105 -2.3838 -2.3838 -2.3705 -2.3705 -2.3482 -2.3482 -2.3092 -2.3092 -2.3019 -2.3019 4.2517 4.2517 5.2443 5.2443 7.1766 7.1766 7.9235 7.9235 8.2086 8.2086 8.9754 8.9754 9.3884 9.3884 11.0388 11.0388 12.3625 12.3625 15.9851 15.9851 17.2211 17.2211 19.8297 19.8297 k = 0.5000 0.1443 0.4082 ( 1730 PWs) bands (ev): -2.8460 -2.8460 -2.8211 -2.8211 -2.8085 -2.8085 -2.7989 -2.7989 -2.4092 -2.4092 -2.3831 -2.3831 -2.3709 -2.3709 -2.3478 -2.3478 -2.3111 -2.3111 -2.3038 -2.3038 4.1872 4.1872 5.2339 5.2339 7.1808 7.1808 7.9632 7.9632 8.1912 8.1912 8.9988 8.9988 9.3828 9.3828 11.1628 11.1628 12.4530 12.4530 15.9075 15.9075 17.2160 17.2160 19.6799 19.6799 k = 0.5000 0.1519 0.3975 ( 1722 PWs) bands (ev): -2.8450 -2.8450 -2.8206 -2.8206 -2.8079 -2.8079 -2.7986 -2.7986 -2.4078 -2.4078 -2.3823 -2.3823 -2.3711 -2.3711 -2.3474 -2.3474 -2.3129 -2.3129 -2.3057 -2.3057 4.1253 4.1253 5.2235 5.2235 7.1845 7.1845 7.9962 7.9962 8.1775 8.1775 9.0235 9.0235 9.3778 9.3778 11.2912 11.2912 12.5445 12.5445 15.8335 15.8335 17.2095 17.2095 19.5265 19.5265 k = 0.5000 0.1595 0.3868 ( 1722 PWs) bands (ev): -2.8442 -2.8442 -2.8202 -2.8202 -2.8072 -2.8072 -2.7983 -2.7983 -2.4064 -2.4064 -2.3816 -2.3816 -2.3714 -2.3714 -2.3470 -2.3470 -2.3148 -2.3148 -2.3076 -2.3076 4.0661 4.0661 5.2132 5.2132 7.1875 7.1875 8.0214 8.0214 8.1687 8.1687 9.0492 9.0492 9.3736 9.3736 11.4235 11.4235 12.6365 12.6365 15.7633 15.7633 17.2012 17.2012 19.3711 19.3711 k = 0.5000 0.1671 0.3760 ( 1722 PWs) bands (ev): -2.8433 -2.8433 -2.8198 -2.8198 -2.8066 -2.8066 -2.7980 -2.7980 -2.4050 -2.4050 -2.3810 -2.3810 -2.3715 -2.3715 -2.3466 -2.3466 -2.3168 -2.3168 -2.3096 -2.3096 4.0097 4.0097 5.2031 5.2031 7.1900 7.1900 8.0381 8.0381 8.1660 8.1660 9.0754 9.0754 9.3699 9.3699 11.5592 11.5592 12.7286 12.7286 15.6974 15.6974 17.1907 17.1907 19.2141 19.2141 k = 0.5000 0.1747 0.3653 ( 1718 PWs) bands (ev): -2.8425 -2.8425 -2.8195 -2.8195 -2.8060 -2.8060 -2.7976 -2.7976 -2.4035 -2.4035 -2.3804 -2.3804 -2.3714 -2.3714 -2.3462 -2.3462 -2.3188 -2.3188 -2.3116 -2.3116 3.9563 3.9563 5.1931 5.1931 7.1918 7.1918 8.0462 8.0462 8.1698 8.1698 9.1018 9.1018 9.3668 9.3668 11.6977 11.6977 12.8204 12.8204 15.6363 15.6363 17.1774 17.1774 19.0550 19.0550 k = 0.5000 0.1823 0.3545 ( 1722 PWs) bands (ev): -2.8416 -2.8416 -2.8193 -2.8193 -2.8054 -2.8054 -2.7972 -2.7972 -2.4020 -2.4020 -2.3799 -2.3799 -2.3712 -2.3712 -2.3458 -2.3458 -2.3208 -2.3208 -2.3136 -2.3136 3.9060 3.9060 5.1835 5.1835 7.1930 7.1930 8.0477 8.0477 8.1785 8.1785 9.1280 9.1280 9.3643 9.3643 11.8384 11.8384 12.9113 12.9113 15.5804 15.5804 17.1606 17.1606 18.8930 18.8930 k = 0.5000 0.1899 0.3438 ( 1722 PWs) bands (ev): -2.8408 -2.8408 -2.8191 -2.8191 -2.8049 -2.8049 -2.7968 -2.7968 -2.4006 -2.4006 -2.3795 -2.3795 -2.3709 -2.3709 -2.3455 -2.3455 -2.3228 -2.3228 -2.3155 -2.3155 3.8588 3.8588 5.1742 5.1742 7.1936 7.1936 8.0453 8.0453 8.1897 8.1897 9.1536 9.1536 9.3623 9.3623 11.9802 11.9802 13.0010 13.0010 15.5301 15.5301 17.1393 17.1393 18.7284 18.7284 k = 0.5000 0.1975 0.3330 ( 1722 PWs) bands (ev): -2.8401 -2.8401 -2.8189 -2.8189 -2.8044 -2.8044 -2.7963 -2.7963 -2.3991 -2.3991 -2.3791 -2.3791 -2.3703 -2.3703 -2.3453 -2.3453 -2.3248 -2.3248 -2.3175 -2.3175 3.8148 3.8148 5.1654 5.1654 7.1937 7.1937 8.0411 8.0411 8.2016 8.2016 9.1782 9.1782 9.3606 9.3606 12.1222 12.1222 13.0889 13.0889 15.4856 15.4856 17.1124 17.1124 18.5628 18.5628 k = 0.5000 0.2051 0.3223 ( 1722 PWs) bands (ev): -2.8393 -2.8393 -2.8188 -2.8188 -2.8039 -2.8039 -2.7958 -2.7958 -2.3978 -2.3978 -2.3787 -2.3787 -2.3697 -2.3697 -2.3453 -2.3453 -2.3267 -2.3267 -2.3194 -2.3194 3.7741 3.7741 5.1570 5.1570 7.1933 7.1933 8.0364 8.0364 8.2131 8.2131 9.2016 9.2016 9.3594 9.3594 12.2632 12.2632 13.1749 13.1749 15.4474 15.4474 17.0784 17.0784 18.3997 18.3997 k = 0.5000 0.2127 0.3116 ( 1724 PWs) bands (ev): -2.8386 -2.8386 -2.8186 -2.8186 -2.8035 -2.8035 -2.7953 -2.7953 -2.3966 -2.3966 -2.3781 -2.3781 -2.3689 -2.3689 -2.3454 -2.3454 -2.3285 -2.3285 -2.3212 -2.3212 3.7367 3.7367 5.1491 5.1491 7.1926 7.1926 8.0318 8.0318 8.2237 8.2237 9.2236 9.2236 9.3586 9.3586 12.4016 12.4016 13.2586 13.2586 15.4155 15.4155 17.0357 17.0357 18.2435 18.2435 k = 0.5000 0.2203 0.3008 ( 1724 PWs) bands (ev): -2.8380 -2.8380 -2.8186 -2.8186 -2.8032 -2.8032 -2.7948 -2.7948 -2.3955 -2.3955 -2.3774 -2.3774 -2.3680 -2.3680 -2.3458 -2.3458 -2.3302 -2.3302 -2.3229 -2.3229 3.7028 3.7028 5.1419 5.1419 7.1915 7.1915 8.0275 8.0275 8.2334 8.2334 9.2438 9.2438 9.3580 9.3580 12.5355 12.5355 13.3398 13.3398 15.3899 15.3899 16.9828 16.9828 18.0984 18.0984 k = 0.5000 0.2279 0.2901 ( 1724 PWs) bands (ev): -2.8374 -2.8374 -2.8185 -2.8185 -2.8028 -2.8028 -2.7944 -2.7944 -2.3946 -2.3946 -2.3765 -2.3765 -2.3671 -2.3671 -2.3465 -2.3465 -2.3317 -2.3317 -2.3245 -2.3245 3.6723 3.6723 5.1352 5.1352 7.1903 7.1903 8.0237 8.0237 8.2420 8.2420 9.2621 9.2621 9.3578 9.3578 12.6628 12.6628 13.4186 13.4186 15.3706 15.3706 16.9187 16.9187 17.9680 17.9680 k = 0.5000 0.2355 0.2793 ( 1724 PWs) bands (ev): -2.8369 -2.8369 -2.8184 -2.8184 -2.8026 -2.8026 -2.7939 -2.7939 -2.3939 -2.3939 -2.3753 -2.3753 -2.3662 -2.3662 -2.3475 -2.3475 -2.3329 -2.3329 -2.3259 -2.3259 3.6453 3.6453 5.1293 5.1293 7.1889 7.1889 8.0206 8.0206 8.2495 8.2495 9.2785 9.2785 9.3578 9.3578 12.7810 12.7810 13.4950 13.4950 15.3572 15.3572 16.8439 16.8439 17.8546 17.8546 k = 0.5000 0.2431 0.2686 ( 1718 PWs) bands (ev): -2.8364 -2.8364 -2.8184 -2.8184 -2.8023 -2.8023 -2.7934 -2.7934 -2.3933 -2.3933 -2.3738 -2.3738 -2.3653 -2.3653 -2.3489 -2.3489 -2.3339 -2.3339 -2.3271 -2.3271 3.6218 3.6218 5.1240 5.1240 7.1876 7.1876 8.0179 8.0179 8.2559 8.2559 9.2926 9.2926 9.3581 9.3581 12.8875 12.8875 13.5688 13.5688 15.3489 15.3489 16.7609 16.7609 17.7588 17.7588 k = 0.5000 0.2507 0.2578 ( 1718 PWs) bands (ev): -2.8360 -2.8360 -2.8184 -2.8184 -2.8021 -2.8021 -2.7931 -2.7931 -2.3930 -2.3930 -2.3722 -2.3722 -2.3645 -2.3645 -2.3505 -2.3505 -2.3347 -2.3347 -2.3282 -2.3282 3.6019 3.6019 5.1195 5.1195 7.1863 7.1863 8.0158 8.0158 8.2613 8.2613 9.3045 9.3045 9.3585 9.3585 12.9799 12.9799 13.6393 13.6393 15.3449 15.3449 16.6743 16.6743 17.6800 17.6800 k = 0.5000 0.2583 0.2471 ( 1708 PWs) bands (ev): -2.8357 -2.8357 -2.8183 -2.8183 -2.8019 -2.8019 -2.7927 -2.7927 -2.3927 -2.3927 -2.3703 -2.3703 -2.3637 -2.3637 -2.3523 -2.3523 -2.3354 -2.3354 -2.3289 -2.3289 3.5855 3.5855 5.1158 5.1158 7.1851 7.1851 8.0141 8.0141 8.2657 8.2657 9.3141 9.3141 9.3592 9.3592 13.0563 13.0563 13.7046 13.7046 15.3441 15.3441 16.5900 16.5900 17.6168 17.6168 k = 0.5000 0.2659 0.2364 ( 1708 PWs) bands (ev): -2.8354 -2.8354 -2.8183 -2.8183 -2.8018 -2.8018 -2.7925 -2.7925 -2.3925 -2.3925 -2.3684 -2.3684 -2.3631 -2.3631 -2.3543 -2.3543 -2.3360 -2.3360 -2.3295 -2.3295 3.5728 3.5728 5.1129 5.1129 7.1841 7.1841 8.0129 8.0129 8.2691 8.2691 9.3213 9.3213 9.3601 9.3601 13.1156 13.1156 13.7619 13.7619 15.3452 15.3452 16.5148 16.5148 17.5681 17.5681 k = 0.5000 0.2735 0.2256 ( 1710 PWs) bands (ev): -2.8352 -2.8352 -2.8183 -2.8183 -2.8017 -2.8017 -2.7923 -2.7923 -2.3924 -2.3924 -2.3665 -2.3665 -2.3626 -2.3626 -2.3564 -2.3564 -2.3364 -2.3364 -2.3299 -2.3299 3.5637 3.5637 5.1108 5.1108 7.1834 7.1834 8.0120 8.0120 8.2715 8.2715 9.3263 9.3263 9.3609 9.3609 13.1576 13.1576 13.8072 13.8072 15.3471 15.3471 16.4552 16.4552 17.5333 17.5333 k = 0.5000 0.2811 0.2149 ( 1710 PWs) bands (ev): -2.8351 -2.8351 -2.8183 -2.8183 -2.8017 -2.8017 -2.7922 -2.7922 -2.3924 -2.3924 -2.3647 -2.3647 -2.3623 -2.3623 -2.3582 -2.3582 -2.3367 -2.3367 -2.3302 -2.3302 3.5582 3.5582 5.1096 5.1096 7.1829 7.1829 8.0115 8.0115 8.2730 8.2730 9.3292 9.3292 9.3615 9.3615 13.1826 13.1826 13.8364 13.8364 15.3487 15.3487 16.4169 16.4169 17.5123 17.5123 k = 0.5000 0.2887 0.2041 ( 1718 PWs) bands (ev): -2.8351 -2.8351 -2.8183 -2.8183 -2.8017 -2.8017 -2.7921 -2.7921 -2.3924 -2.3924 -2.3638 -2.3638 -2.3622 -2.3622 -2.3592 -2.3592 -2.3368 -2.3368 -2.3303 -2.3303 3.5564 3.5564 5.1091 5.1091 7.1827 7.1827 8.0113 8.0113 8.2735 8.2735 9.3301 9.3301 9.3617 9.3617 13.1908 13.1908 13.8466 13.8466 15.3493 15.3493 16.4037 16.4037 17.5053 17.5053 k = 0.5000 0.2887 0.2041 ( 1718 PWs) bands (ev): -2.8351 -2.8351 -2.8183 -2.8183 -2.8017 -2.8017 -2.7921 -2.7921 -2.3924 -2.3924 -2.3638 -2.3638 -2.3622 -2.3622 -2.3592 -2.3592 -2.3368 -2.3368 -2.3303 -2.3303 3.5564 3.5564 5.1091 5.1091 7.1827 7.1827 8.0113 8.0113 8.2735 8.2735 9.3301 9.3301 9.3617 9.3617 13.1908 13.1908 13.8466 13.8466 15.3493 15.3493 16.4037 16.4037 17.5053 17.5053 k = 0.4962 0.2865 0.2165 ( 1714 PWs) bands (ev): -2.8351 -2.8351 -2.8183 -2.8183 -2.8017 -2.8017 -2.7922 -2.7922 -2.3924 -2.3924 -2.3647 -2.3647 -2.3623 -2.3623 -2.3582 -2.3582 -2.3367 -2.3367 -2.3302 -2.3302 3.5582 3.5582 5.1096 5.1096 7.1829 7.1829 8.0115 8.0115 8.2730 8.2730 9.3292 9.3292 9.3615 9.3615 13.1826 13.1826 13.8365 13.8365 15.3487 15.3487 16.4168 16.4168 17.5123 17.5123 k = 0.4924 0.2843 0.2289 ( 1710 PWs) bands (ev): -2.8352 -2.8352 -2.8183 -2.8183 -2.8017 -2.8017 -2.7923 -2.7923 -2.3924 -2.3924 -2.3664 -2.3664 -2.3626 -2.3626 -2.3564 -2.3564 -2.3364 -2.3364 -2.3299 -2.3299 3.5637 3.5637 5.1108 5.1108 7.1833 7.1833 8.0120 8.0120 8.2715 8.2715 9.3263 9.3263 9.3609 9.3609 13.1578 13.1578 13.8074 13.8074 15.3471 15.3471 16.4550 16.4550 17.5331 17.5331 k = 0.4886 0.2821 0.2412 ( 1706 PWs) bands (ev): -2.8354 -2.8354 -2.8183 -2.8183 -2.8018 -2.8018 -2.7924 -2.7924 -2.3925 -2.3925 -2.3684 -2.3684 -2.3631 -2.3631 -2.3543 -2.3543 -2.3360 -2.3360 -2.3295 -2.3295 3.5727 3.5727 5.1129 5.1129 7.1841 7.1841 8.0128 8.0128 8.2691 8.2691 9.3214 9.3214 9.3601 9.3601 13.1160 13.1160 13.7624 13.7624 15.3450 15.3450 16.5145 16.5145 17.5674 17.5674 k = 0.4848 0.2799 0.2536 ( 1709 PWs) bands (ev): -2.8357 -2.8357 -2.8183 -2.8183 -2.8019 -2.8019 -2.7927 -2.7927 -2.3927 -2.3927 -2.3703 -2.3703 -2.3637 -2.3637 -2.3523 -2.3523 -2.3354 -2.3354 -2.3289 -2.3289 3.5854 3.5854 5.1158 5.1158 7.1851 7.1851 8.0141 8.0141 8.2657 8.2657 9.3141 9.3141 9.3593 9.3593 13.0569 13.0569 13.7058 13.7058 15.3430 15.3430 16.5907 16.5907 17.6145 17.6145 k = 0.4811 0.2777 0.2660 ( 1715 PWs) bands (ev): -2.8360 -2.8360 -2.8183 -2.8183 -2.8021 -2.8021 -2.7931 -2.7931 -2.3930 -2.3930 -2.3722 -2.3722 -2.3645 -2.3645 -2.3505 -2.3505 -2.3348 -2.3348 -2.3281 -2.3281 3.6016 3.6016 5.1195 5.1195 7.1862 7.1862 8.0157 8.0157 8.2614 8.2614 9.3046 9.3046 9.3586 9.3586 12.9805 12.9805 13.6418 13.6418 15.3415 15.3415 16.6786 16.6786 17.6728 17.6728 k = 0.4773 0.2756 0.2784 ( 1719 PWs) bands (ev): -2.8364 -2.8364 -2.8184 -2.8184 -2.8023 -2.8023 -2.7934 -2.7934 -2.3933 -2.3933 -2.3738 -2.3738 -2.3654 -2.3654 -2.3488 -2.3488 -2.3341 -2.3341 -2.3270 -2.3270 3.6214 3.6214 5.1240 5.1240 7.1875 7.1875 8.0178 8.0178 8.2560 8.2560 9.2926 9.2926 9.3582 9.3582 12.8878 12.8878 13.5738 13.5738 15.3406 15.3406 16.7739 16.7739 17.7405 17.7405 k = 0.4735 0.2734 0.2907 ( 1723 PWs) bands (ev): -2.8369 -2.8369 -2.8184 -2.8184 -2.8026 -2.8026 -2.7939 -2.7939 -2.3939 -2.3939 -2.3753 -2.3753 -2.3663 -2.3663 -2.3473 -2.3473 -2.3333 -2.3333 -2.3257 -2.3257 3.6448 3.6448 5.1292 5.1292 7.1889 7.1889 8.0204 8.0204 8.2497 8.2497 9.2783 9.2783 9.3582 9.3582 12.7806 12.7806 13.5039 13.5039 15.3403 15.3403 16.8734 16.8734 17.8148 17.8148 k = 0.4697 0.2712 0.3031 ( 1722 PWs) bands (ev): -2.8374 -2.8374 -2.8185 -2.8185 -2.8028 -2.8028 -2.7943 -2.7943 -2.3945 -2.3945 -2.3765 -2.3765 -2.3672 -2.3672 -2.3460 -2.3460 -2.3324 -2.3324 -2.3241 -2.3241 3.6716 3.6716 5.1351 5.1351 7.1902 7.1902 8.0235 8.0235 8.2424 8.2424 9.2617 9.2617 9.3585 9.3585 12.6613 12.6613 13.4332 13.4332 15.3406 15.3406 16.9750 16.9750 17.8933 17.8933 k = 0.4659 0.2690 0.3155 ( 1726 PWs) bands (ev): -2.8380 -2.8380 -2.8186 -2.8186 -2.8032 -2.8032 -2.7948 -2.7948 -2.3954 -2.3954 -2.3775 -2.3775 -2.3682 -2.3682 -2.3451 -2.3451 -2.3314 -2.3314 -2.3224 -2.3224 3.7019 3.7019 5.1417 5.1417 7.1913 7.1913 8.0270 8.0270 8.2342 8.2342 9.2429 9.2429 9.3592 9.3592 12.5325 12.5325 13.3619 13.3619 15.3410 15.3410 17.0777 17.0777 17.9742 17.9742 k = 0.4621 0.2668 0.3278 ( 1726 PWs) bands (ev): -2.8386 -2.8386 -2.8186 -2.8186 -2.8036 -2.8036 -2.7953 -2.7953 -2.3965 -2.3965 -2.3783 -2.3783 -2.3691 -2.3691 -2.3443 -2.3443 -2.3302 -2.3302 -2.3204 -2.3204 3.7357 3.7357 5.1489 5.1489 7.1922 7.1922 8.0309 8.0309 8.2252 8.2252 9.2219 9.2219 9.3603 9.3603 12.3971 12.3971 13.2898 13.2898 15.3415 15.3415 17.1815 17.1815 18.0567 18.0567 k = 0.4583 0.2646 0.3402 ( 1721 PWs) bands (ev): -2.8393 -2.8393 -2.8187 -2.8187 -2.8040 -2.8040 -2.7958 -2.7958 -2.3976 -2.3976 -2.3790 -2.3790 -2.3699 -2.3699 -2.3437 -2.3437 -2.3290 -2.3290 -2.3182 -2.3182 3.7728 3.7728 5.1568 5.1568 7.1927 7.1927 8.0350 8.0350 8.2157 8.2157 9.1989 9.1989 9.3620 9.3620 12.2573 12.2573 13.2167 13.2167 15.3418 15.3418 17.2865 17.2865 18.1406 18.1406 k = 0.4545 0.2624 0.3526 ( 1719 PWs) bands (ev): -2.8401 -2.8401 -2.8188 -2.8188 -2.8045 -2.8045 -2.7962 -2.7962 -2.3989 -2.3989 -2.3795 -2.3795 -2.3707 -2.3707 -2.3433 -2.3433 -2.3279 -2.3279 -2.3159 -2.3159 3.8133 3.8133 5.1651 5.1651 7.1926 7.1926 8.0387 8.0387 8.2059 8.2059 9.1741 9.1741 9.3643 9.3643 12.1154 12.1154 13.1425 13.1425 15.3417 15.3417 17.3933 17.3933 18.2263 18.2263 k = 0.4508 0.2602 0.3649 ( 1719 PWs) bands (ev): -2.8408 -2.8408 -2.8190 -2.8190 -2.8051 -2.8051 -2.7966 -2.7966 -2.4002 -2.4002 -2.3801 -2.3801 -2.3714 -2.3714 -2.3429 -2.3429 -2.3267 -2.3267 -2.3135 -2.3135 3.8570 3.8570 5.1740 5.1740 7.1917 7.1917 8.0413 8.0413 8.1968 8.1968 9.1474 9.1474 9.3672 9.3672 11.9729 11.9729 13.0671 13.0671 15.3409 15.3409 17.5025 17.5025 18.3138 18.3138 k = 0.4470 0.2581 0.3773 ( 1720 PWs) bands (ev): -2.8416 -2.8416 -2.8191 -2.8191 -2.8058 -2.8058 -2.7969 -2.7969 -2.4016 -2.4016 -2.3807 -2.3807 -2.3719 -2.3719 -2.3426 -2.3426 -2.3255 -2.3255 -2.3110 -2.3110 3.9038 3.9038 5.1832 5.1832 7.1899 7.1899 8.0417 8.0417 8.1895 8.1895 9.1192 9.1192 9.3708 9.3708 11.8314 11.8314 12.9905 12.9905 15.3394 15.3394 17.6145 17.6145 18.4033 18.4033 k = 0.4432 0.2559 0.3897 ( 1721 PWs) bands (ev): -2.8425 -2.8425 -2.8194 -2.8194 -2.8065 -2.8065 -2.7972 -2.7972 -2.4030 -2.4030 -2.3814 -2.3814 -2.3724 -2.3724 -2.3423 -2.3423 -2.3244 -2.3244 -2.3085 -2.3085 3.9538 3.9538 5.1929 5.1929 7.1869 7.1869 8.0383 8.0383 8.1855 8.1855 9.0897 9.0897 9.3751 9.3751 11.6922 11.6922 12.9127 12.9127 15.3370 15.3370 17.7297 17.7297 18.4947 18.4947 k = 0.4394 0.2537 0.4021 ( 1719 PWs) bands (ev): -2.8433 -2.8433 -2.8196 -2.8196 -2.8074 -2.8074 -2.7974 -2.7974 -2.4043 -2.4043 -2.3821 -2.3821 -2.3727 -2.3727 -2.3419 -2.3419 -2.3233 -2.3233 -2.3059 -2.3059 4.0067 4.0067 5.2028 5.2028 7.1824 7.1824 8.0296 8.0296 8.1863 8.1863 9.0592 9.0592 9.3801 9.3801 11.5564 11.5564 12.8340 12.8340 15.3335 15.3335 17.8484 17.8484 18.5880 18.5880 k = 0.4356 0.2515 0.4144 ( 1719 PWs) bands (ev): -2.8442 -2.8442 -2.8199 -2.8199 -2.8083 -2.8083 -2.7976 -2.7976 -2.4056 -2.4056 -2.3829 -2.3829 -2.3730 -2.3730 -2.3414 -2.3414 -2.3223 -2.3223 -2.3033 -2.3033 4.0625 4.0625 5.2130 5.2130 7.1760 7.1760 8.0152 8.0152 8.1925 8.1925 9.0278 9.0278 9.3859 9.3859 11.4248 11.4248 12.7545 12.7545 15.3290 15.3290 17.9705 17.9705 18.6828 18.6828 k = 0.4318 0.2493 0.4268 ( 1719 PWs) bands (ev): -2.8450 -2.8450 -2.8202 -2.8202 -2.8092 -2.8092 -2.7976 -2.7976 -2.4069 -2.4069 -2.3838 -2.3838 -2.3733 -2.3733 -2.3409 -2.3409 -2.3214 -2.3214 -2.3007 -2.3007 4.1211 4.1211 5.2234 5.2234 7.1674 7.1674 7.9957 7.9957 8.2038 8.2038 8.9961 8.9961 9.3923 9.3923 11.2983 11.2983 12.6743 12.6743 15.3233 15.3233 18.0961 18.0961 18.7790 18.7790 k = 0.4280 0.2471 0.4392 ( 1717 PWs) bands (ev): -2.8459 -2.8459 -2.8205 -2.8205 -2.8102 -2.8102 -2.7976 -2.7976 -2.4081 -2.4081 -2.3848 -2.3848 -2.3736 -2.3736 -2.3403 -2.3403 -2.3206 -2.3206 -2.2980 -2.2980 4.1822 4.1822 5.2339 5.2339 7.1558 7.1558 7.9721 7.9721 8.2193 8.2193 8.9642 8.9642 9.3993 9.3993 11.1777 11.1777 12.5938 12.5938 15.3164 15.3164 18.2251 18.2251 18.8763 18.8763 k = 0.4242 0.2449 0.4515 ( 1714 PWs) bands (ev): -2.8468 -2.8468 -2.8209 -2.8209 -2.8113 -2.8113 -2.7976 -2.7976 -2.4092 -2.4092 -2.3857 -2.3857 -2.3739 -2.3739 -2.3395 -2.3395 -2.3199 -2.3199 -2.2954 -2.2954 4.2457 4.2457 5.2444 5.2444 7.1408 7.1408 7.9458 7.9458 8.2384 8.2384 8.9326 8.9326 9.4067 9.4067 11.0634 11.0634 12.5131 12.5131 15.3083 15.3083 18.3570 18.3570 18.9743 18.9743 k = 0.4205 0.2427 0.4639 ( 1716 PWs) bands (ev): -2.8476 -2.8476 -2.8214 -2.8214 -2.8124 -2.8124 -2.7974 -2.7974 -2.4102 -2.4102 -2.3868 -2.3868 -2.3743 -2.3743 -2.3386 -2.3386 -2.3192 -2.3192 -2.2928 -2.2928 4.3115 4.3115 5.2549 5.2549 7.1215 7.1215 7.9181 7.9181 8.2605 8.2605 8.9016 8.9016 9.4144 9.4144 10.9562 10.9562 12.4325 12.4325 15.2990 15.2990 18.4916 18.4916 19.0726 19.0726 k = 0.4167 0.2406 0.4763 ( 1720 PWs) bands (ev): -2.8485 -2.8485 -2.8219 -2.8219 -2.8135 -2.8135 -2.7972 -2.7972 -2.4112 -2.4112 -2.3878 -2.3878 -2.3747 -2.3747 -2.3377 -2.3377 -2.3187 -2.3187 -2.2902 -2.2902 4.3792 4.3792 5.2653 5.2653 7.0972 7.0972 7.8903 7.8903 8.2850 8.2850 8.8715 8.8715 9.4220 9.4220 10.8566 10.8566 12.3522 12.3522 15.2885 15.2885 18.6284 18.6284 19.1709 19.1709 k = 0.4129 0.2384 0.4887 ( 1716 PWs) bands (ev): -2.8493 -2.8493 -2.8225 -2.8225 -2.8146 -2.8146 -2.7969 -2.7969 -2.4121 -2.4121 -2.3888 -2.3888 -2.3752 -2.3752 -2.3366 -2.3366 -2.3182 -2.3182 -2.2876 -2.2876 4.4485 4.4485 5.2754 5.2754 7.0670 7.0670 7.8639 7.8639 8.3117 8.3117 8.8425 8.8425 9.4293 9.4293 10.7649 10.7649 12.2725 12.2725 15.2768 15.2768 18.7666 18.7666 19.2687 19.2687 k = 0.4091 0.2362 0.5010 ( 1718 PWs) bands (ev): -2.8500 -2.8500 -2.8231 -2.8231 -2.8157 -2.8157 -2.7966 -2.7966 -2.4129 -2.4129 -2.3898 -2.3898 -2.3757 -2.3757 -2.3354 -2.3354 -2.3179 -2.3179 -2.2851 -2.2851 4.5192 4.5192 5.2852 5.2852 7.0304 7.0304 7.8403 7.8403 8.3403 8.3403 8.8148 8.8148 9.4358 9.4358 10.6818 10.6818 12.1936 12.1936 15.2640 15.2640 18.9054 18.9054 19.3648 19.3648 k = 0.4053 0.2340 0.5134 ( 1721 PWs) bands (ev): -2.8507 -2.8507 -2.8238 -2.8238 -2.8169 -2.8169 -2.7963 -2.7963 -2.4136 -2.4136 -2.3908 -2.3908 -2.3764 -2.3764 -2.3342 -2.3342 -2.3176 -2.3176 -2.2826 -2.2826 4.5907 4.5907 5.2946 5.2946 6.9871 6.9871 7.8206 7.8206 8.3704 8.3704 8.7887 8.7887 9.4410 9.4410 10.6076 10.6076 12.1158 12.1158 15.2500 15.2500 19.0439 19.0439 19.4300 19.4300 k = 0.4015 0.2318 0.5258 ( 1719 PWs) bands (ev): -2.8514 -2.8514 -2.8244 -2.8244 -2.8181 -2.8181 -2.7959 -2.7959 -2.4142 -2.4142 -2.3917 -2.3917 -2.3770 -2.3770 -2.3328 -2.3328 -2.3175 -2.3175 -2.2801 -2.2801 4.6627 4.6627 5.3032 5.3032 6.9374 6.9374 7.8058 7.8058 8.4016 8.4016 8.7642 8.7642 9.4444 9.4444 10.5429 10.5429 12.0394 12.0394 15.2350 15.2350 19.1798 19.1798 19.3230 19.3230 k = 0.3977 0.2296 0.5381 ( 1720 PWs) bands (ev): -2.8520 -2.8520 -2.8251 -2.8251 -2.8192 -2.8192 -2.7955 -2.7955 -2.4147 -2.4147 -2.3927 -2.3927 -2.3778 -2.3778 -2.3315 -2.3315 -2.3175 -2.3175 -2.2776 -2.2776 4.7345 4.7345 5.3110 5.3110 6.8819 6.8819 7.7962 7.7962 8.4338 8.4338 8.7415 8.7415 9.4453 9.4453 10.4881 10.4881 11.9646 11.9646 15.2189 15.2189 19.1915 19.1915 19.3208 19.3208 k = 0.3939 0.2274 0.5505 ( 1716 PWs) bands (ev): -2.8526 -2.8526 -2.8258 -2.8258 -2.8204 -2.8204 -2.7950 -2.7950 -2.4151 -2.4151 -2.3936 -2.3936 -2.3785 -2.3785 -2.3300 -2.3300 -2.3175 -2.3175 -2.2751 -2.2751 4.8053 4.8053 5.3174 5.3174 6.8222 6.8222 7.7922 7.7922 8.4662 8.4662 8.7208 8.7208 9.4433 9.4433 10.4436 10.4436 11.8918 11.8918 15.2017 15.2017 19.0682 19.0682 19.4501 19.4501 k = 0.3902 0.2253 0.5629 ( 1716 PWs) bands (ev): -2.8531 -2.8531 -2.8266 -2.8266 -2.8215 -2.8215 -2.7945 -2.7945 -2.4155 -2.4155 -2.3944 -2.3944 -2.3793 -2.3793 -2.3286 -2.3286 -2.3177 -2.3177 -2.2728 -2.2728 4.8743 4.8743 5.3222 5.3222 6.7602 6.7602 7.7936 7.7936 8.4984 8.4984 8.7023 8.7023 9.4379 9.4379 10.4097 10.4097 11.8212 11.8212 15.1835 15.1835 18.9446 18.9446 19.5757 19.5757 k = 0.3864 0.2231 0.5753 ( 1720 PWs) bands (ev): -2.8535 -2.8535 -2.8274 -2.8274 -2.8227 -2.8227 -2.7941 -2.7941 -2.4158 -2.4158 -2.3953 -2.3953 -2.3802 -2.3802 -2.3272 -2.3272 -2.3179 -2.3179 -2.2704 -2.2704 4.9402 4.9402 5.3248 5.3248 6.6982 6.6982 7.8002 7.8002 8.5294 8.5294 8.6867 8.6867 9.4290 9.4290 10.3864 10.3864 11.7533 11.7533 15.1642 15.1642 18.8227 18.8227 19.6947 19.6947 k = 0.3826 0.2209 0.5876 ( 1722 PWs) bands (ev): -2.8539 -2.8539 -2.8281 -2.8281 -2.8238 -2.8238 -2.7936 -2.7936 -2.4160 -2.4160 -2.3961 -2.3961 -2.3811 -2.3811 -2.3258 -2.3258 -2.3181 -2.3181 -2.2681 -2.2681 5.0015 5.0015 5.3246 5.3246 6.6391 6.6391 7.8116 7.8116 8.5574 8.5574 8.6750 8.6750 9.4168 9.4168 10.3736 10.3736 11.6883 11.6883 15.1439 15.1439 18.7031 18.7031 19.8057 19.8057 k = 0.3788 0.2187 0.6000 ( 1722 PWs) bands (ev): -2.8542 -2.8542 -2.8289 -2.8289 -2.8249 -2.8249 -2.7931 -2.7931 -2.4161 -2.4161 -2.3968 -2.3968 -2.3820 -2.3820 -2.3246 -2.3246 -2.3183 -2.3183 -2.2658 -2.2658 5.0559 5.0559 5.3216 5.3216 6.5860 6.5860 7.8274 7.8274 8.5794 8.5794 8.6701 8.6701 9.4018 9.4018 10.3707 10.3707 11.6267 11.6267 15.1226 15.1226 18.5859 18.5859 19.9077 19.9077 k = 0.3750 0.2165 0.6124 ( 1710 PWs) bands (ev): -2.8543 -2.8543 -2.8296 -2.8296 -2.8259 -2.8259 -2.7926 -2.7926 -2.4161 -2.4161 -2.3974 -2.3974 -2.3829 -2.3829 -2.3237 -2.3237 -2.3182 -2.3182 -2.2635 -2.2635 5.0997 5.0997 5.3168 5.3168 6.5423 6.5423 7.8471 7.8471 8.5914 8.5914 8.6753 8.6753 9.3849 9.3849 10.3771 10.3771 11.5690 11.5690 15.1003 15.1003 18.4715 18.4715 20.0005 20.0005 k = 0.6250-0.0722 0.4082 ( 1710 PWs) bands (ev): -2.8543 -2.8543 -2.8296 -2.8296 -2.8259 -2.8259 -2.7926 -2.7926 -2.4161 -2.4161 -2.3974 -2.3974 -2.3829 -2.3829 -2.3237 -2.3237 -2.3182 -2.3182 -2.2635 -2.2635 5.0997 5.0997 5.3168 5.3168 6.5423 6.5423 7.8471 7.8471 8.5914 8.5914 8.6753 8.6753 9.3849 9.3849 10.3771 10.3771 11.5690 11.5690 15.1003 15.1003 18.4715 18.4715 20.0005 20.0005 k = 0.6184-0.0836 0.4082 ( 1722 PWs) bands (ev): -2.8547 -2.8547 -2.8310 -2.8310 -2.8278 -2.8278 -2.7919 -2.7919 -2.4162 -2.4162 -2.3985 -2.3985 -2.3845 -2.3845 -2.3235 -2.3235 -2.3170 -2.3170 -2.2596 -2.2596 5.1603 5.1603 5.3094 5.3094 6.4769 6.4769 7.8865 7.8865 8.6001 8.6001 8.6970 8.6970 9.3568 9.3568 10.3953 10.3953 11.4734 11.4734 15.0597 15.0597 18.2780 18.2780 20.1519 20.1519 k = 0.6118-0.0950 0.4082 ( 1722 PWs) bands (ev): -2.8549 -2.8549 -2.8324 -2.8324 -2.8296 -2.8296 -2.7912 -2.7912 -2.4163 -2.4163 -2.3995 -2.3995 -2.3859 -2.3859 -2.3241 -2.3241 -2.3148 -2.3148 -2.2559 -2.2559 5.2143 5.2143 5.3040 5.3040 6.4132 6.4132 7.9291 7.9291 8.6046 8.6046 8.7252 8.7252 9.3338 9.3338 10.4123 10.4123 11.3804 11.3804 15.0171 15.0171 18.0915 18.0915 20.3004 20.3004 k = 0.6053-0.1064 0.4082 ( 1716 PWs) bands (ev): -2.8552 -2.8552 -2.8338 -2.8338 -2.8313 -2.8313 -2.7905 -2.7905 -2.4163 -2.4163 -2.4005 -2.4005 -2.3872 -2.3872 -2.3250 -2.3250 -2.3124 -2.3124 -2.2522 -2.2522 5.2580 5.2580 5.3045 5.3045 6.3518 6.3518 7.9732 7.9732 8.6065 8.6065 8.7591 8.7591 9.3159 9.3159 10.4278 10.4278 11.2900 11.2900 14.9722 14.9722 17.9131 17.9131 20.4469 20.4469 k = 0.5987-0.1177 0.4082 ( 1716 PWs) bands (ev): -2.8554 -2.8554 -2.8354 -2.8354 -2.8329 -2.8329 -2.7899 -2.7899 -2.4163 -2.4163 -2.4014 -2.4014 -2.3884 -2.3884 -2.3259 -2.3259 -2.3099 -2.3099 -2.2487 -2.2487 5.2761 5.2761 5.3261 5.3261 6.2931 6.2931 8.0172 8.0172 8.6070 8.6070 8.7982 8.7982 9.3031 9.3031 10.4412 10.4412 11.2026 11.2026 14.9248 14.9248 17.7435 17.7435 20.5930 20.5930 k = 0.5921-0.1291 0.4082 ( 1712 PWs) bands (ev): -2.8555 -2.8555 -2.8370 -2.8370 -2.8344 -2.8344 -2.7893 -2.7893 -2.4163 -2.4163 -2.4023 -2.4023 -2.3895 -2.3895 -2.3268 -2.3268 -2.3075 -2.3075 -2.2453 -2.2453 5.2760 5.2760 5.3614 5.3614 6.2374 6.2374 8.0595 8.0595 8.6070 8.6070 8.8425 8.8425 9.2953 9.2953 10.4524 10.4524 11.1183 11.1183 14.8749 14.8749 17.5838 17.5838 20.7397 20.7397 k = 0.5855-0.1405 0.4082 ( 1718 PWs) bands (ev): -2.8556 -2.8556 -2.8388 -2.8388 -2.8359 -2.8359 -2.7887 -2.7887 -2.4164 -2.4164 -2.4032 -2.4032 -2.3906 -2.3906 -2.3276 -2.3276 -2.3051 -2.3051 -2.2422 -2.2422 5.2730 5.2730 5.3955 5.3955 6.1851 6.1851 8.0983 8.0983 8.6071 8.6071 8.8920 8.8920 9.2923 9.2923 10.4607 10.4607 11.0376 11.0376 14.8224 14.8224 17.4346 17.4346 20.8877 20.8877 k = 0.5789-0.1519 0.4082 ( 1710 PWs) bands (ev): -2.8556 -2.8556 -2.8404 -2.8404 -2.8372 -2.8372 -2.7881 -2.7881 -2.4164 -2.4164 -2.4040 -2.4040 -2.3915 -2.3915 -2.3283 -2.3283 -2.3029 -2.3029 -2.2391 -2.2391 5.2696 5.2696 5.4260 5.4260 6.1364 6.1364 8.1325 8.1325 8.6081 8.6081 8.9466 8.9466 9.2939 9.2939 10.4658 10.4658 10.9610 10.9610 14.7676 14.7676 17.2969 17.2969 21.0375 21.0375 k = 0.5724-0.1633 0.4082 ( 1714 PWs) bands (ev): -2.8556 -2.8556 -2.8420 -2.8420 -2.8385 -2.8385 -2.7876 -2.7876 -2.4166 -2.4166 -2.4046 -2.4046 -2.3923 -2.3923 -2.3290 -2.3290 -2.3008 -2.3008 -2.2363 -2.2363 5.2664 5.2664 5.4524 5.4524 6.0916 6.0916 8.1612 8.1612 8.6102 8.6102 9.0060 9.0060 9.2995 9.2995 10.4669 10.4669 10.8892 10.8892 14.7107 14.7107 17.1709 17.1709 21.1894 21.1894 k = 0.5658-0.1747 0.4082 ( 1714 PWs) bands (ev): -2.8556 -2.8556 -2.8435 -2.8435 -2.8398 -2.8398 -2.7872 -2.7872 -2.4168 -2.4168 -2.4052 -2.4052 -2.3930 -2.3930 -2.3297 -2.3297 -2.2989 -2.2989 -2.2337 -2.2337 5.2635 5.2635 5.4751 5.4751 6.0507 6.0507 8.1840 8.1840 8.6136 8.6136 9.0692 9.0692 9.3090 9.3090 10.4632 10.4632 10.8232 10.8232 14.6525 14.6525 17.0571 17.0571 21.3433 21.3433 k = 0.5592-0.1861 0.4082 ( 1714 PWs) bands (ev): -2.8554 -2.8554 -2.8449 -2.8449 -2.8411 -2.8411 -2.7868 -2.7868 -2.4170 -2.4170 -2.4056 -2.4056 -2.3937 -2.3937 -2.3303 -2.3303 -2.2972 -2.2972 -2.2312 -2.2312 5.2609 5.2609 5.4941 5.4941 6.0140 6.0140 8.2012 8.2012 8.6182 8.6182 9.1349 9.1349 9.3220 9.3220 10.4538 10.4538 10.7641 10.7641 14.5938 14.5938 16.9556 16.9556 21.4990 21.4990 k = 0.5526-0.1975 0.4082 ( 1710 PWs) bands (ev): -2.8553 -2.8553 -2.8461 -2.8461 -2.8423 -2.8423 -2.7864 -2.7864 -2.4172 -2.4172 -2.4058 -2.4058 -2.3942 -2.3942 -2.3308 -2.3308 -2.2956 -2.2956 -2.2290 -2.2290 5.2587 5.2587 5.5098 5.5098 5.9815 5.9815 8.2134 8.2134 8.6238 8.6238 9.2009 9.2009 9.3389 9.3389 10.4376 10.4376 10.7135 10.7135 14.5356 14.5356 16.8663 16.8663 21.6561 21.6561 k = 0.5461-0.2089 0.4082 ( 1710 PWs) bands (ev): -2.8550 -2.8550 -2.8472 -2.8472 -2.8434 -2.8434 -2.7861 -2.7861 -2.4175 -2.4175 -2.4061 -2.4061 -2.3947 -2.3947 -2.3312 -2.3312 -2.2942 -2.2942 -2.2271 -2.2271 5.2569 5.2569 5.5223 5.5223 5.9533 5.9533 8.2214 8.2214 8.6298 8.6298 9.2630 9.2630 9.3613 9.3613 10.4142 10.4142 10.6720 10.6720 14.4793 14.4793 16.7889 16.7889 21.8139 21.8139 k = 0.5395-0.2203 0.4082 ( 1710 PWs) bands (ev): -2.8548 -2.8548 -2.8483 -2.8483 -2.8445 -2.8445 -2.7859 -2.7859 -2.4178 -2.4178 -2.4062 -2.4062 -2.3952 -2.3952 -2.3316 -2.3316 -2.2929 -2.2929 -2.2254 -2.2254 5.2553 5.2553 5.5322 5.5322 5.9293 5.9293 8.2263 8.2263 8.6359 8.6359 9.3138 9.3138 9.3939 9.3939 10.3847 10.3847 10.6397 10.6397 14.4263 14.4263 16.7231 16.7231 21.9711 21.9711 k = 0.5329-0.2317 0.4082 ( 1706 PWs) bands (ev): -2.8544 -2.8544 -2.8491 -2.8491 -2.8454 -2.8454 -2.7856 -2.7856 -2.4181 -2.4181 -2.4063 -2.4063 -2.3955 -2.3955 -2.3319 -2.3319 -2.2918 -2.2918 -2.2239 -2.2239 5.2540 5.2540 5.5396 5.5396 5.9094 5.9094 8.2290 8.2290 8.6416 8.6416 9.3477 9.3477 9.4397 9.4397 10.3515 10.3515 10.6151 10.6151 14.3782 14.3782 16.6685 16.6685 22.1258 22.1258 k = 0.5263-0.2431 0.4082 ( 1716 PWs) bands (ev): -2.8541 -2.8541 -2.8499 -2.8499 -2.8464 -2.8464 -2.7855 -2.7855 -2.4184 -2.4184 -2.4063 -2.4063 -2.3958 -2.3958 -2.3322 -2.3322 -2.2910 -2.2910 -2.2228 -2.2228 5.2530 5.2530 5.5450 5.5450 5.8935 5.8935 8.2302 8.2302 8.6467 8.6467 9.3699 9.3699 9.4902 9.4902 10.3178 10.3178 10.5965 10.5965 14.3363 14.3363 16.6246 16.6246 22.2742 22.2742 k = 0.5197-0.2545 0.4082 ( 1724 PWs) bands (ev): -2.8537 -2.8537 -2.8506 -2.8506 -2.8472 -2.8472 -2.7854 -2.7854 -2.4187 -2.4187 -2.4064 -2.4064 -2.3961 -2.3961 -2.3324 -2.3324 -2.2903 -2.2903 -2.2219 -2.2219 5.2522 5.2522 5.5487 5.5487 5.8815 5.8815 8.2305 8.2305 8.6509 8.6509 9.3858 9.3858 9.5366 9.5366 10.2868 10.2868 10.5826 10.5826 14.3021 14.3021 16.5909 16.5909 22.4104 22.4104 k = 0.5132-0.2659 0.4082 ( 1724 PWs) bands (ev): -2.8533 -2.8533 -2.8510 -2.8510 -2.8478 -2.8478 -2.7853 -2.7853 -2.4188 -2.4188 -2.4064 -2.4064 -2.3962 -2.3962 -2.3325 -2.3325 -2.2899 -2.2899 -2.2213 -2.2213 5.2516 5.2516 5.5511 5.5511 5.8730 5.8730 8.2304 8.2304 8.6540 8.6540 9.3971 9.3971 9.5735 9.5735 10.2618 10.2618 10.5728 10.5728 14.2768 14.2768 16.5672 16.5672 22.5253 22.5253 k = 0.5066-0.2773 0.4082 ( 1724 PWs) bands (ev): -2.8530 -2.8530 -2.8514 -2.8514 -2.8483 -2.8483 -2.7852 -2.7852 -2.4189 -2.4189 -2.4064 -2.4064 -2.3963 -2.3963 -2.3326 -2.3326 -2.2896 -2.2896 -2.2209 -2.2209 5.2513 5.2513 5.5524 5.5524 5.8681 5.8681 8.2302 8.2302 8.6559 8.6559 9.4040 9.4040 9.5973 9.5973 10.2453 10.2453 10.5669 10.5669 14.2612 14.2612 16.5531 16.5531 22.6052 22.6052 k = 0.5000-0.2887 0.4082 ( 1724 PWs) bands (ev): -2.8529 -2.8529 -2.8515 -2.8515 -2.8484 -2.8484 -2.7852 -2.7852 -2.4190 -2.4190 -2.4064 -2.4064 -2.3964 -2.3964 -2.3326 -2.3326 -2.2895 -2.2895 -2.2207 -2.2207 5.2512 5.2512 5.5528 5.5528 5.8664 5.8664 8.2302 8.2302 8.6566 8.6566 9.4063 9.4063 9.6056 9.6056 10.2395 10.2395 10.5649 10.5649 14.2560 14.2560 16.5484 16.5484 22.6347 22.6347 Writing output data file Ga2Pt.save init_run : 0.21s CPU 0.33s WALL ( 1 calls) electrons : 81.36s CPU 83.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 81.36s CPU 83.22s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 356 calls) cegterg : 75.05s CPU 76.46s WALL ( 460 calls) Called by sum_band: Called by *egterg: h_psi : 34.38s CPU 35.39s WALL ( 7643 calls) s_psi : 2.54s CPU 2.51s WALL ( 7643 calls) g_psi : 0.10s CPU 0.09s WALL ( 6827 calls) cdiaghg : 36.49s CPU 37.23s WALL ( 7183 calls) cegterg:over : 2.42s CPU 2.53s WALL ( 6827 calls) cegterg:upda : 1.59s CPU 1.56s WALL ( 6827 calls) cegterg:last : 1.09s CPU 1.01s WALL ( 1172 calls) cdiaghg:chol : 1.86s CPU 1.90s WALL ( 7183 calls) cdiaghg:inve : 1.09s CPU 1.14s WALL ( 7183 calls) cdiaghg:para : 2.20s CPU 2.15s WALL ( 14366 calls) Called by h_psi: h_psi:vloc : 29.19s CPU 30.05s WALL ( 7643 calls) h_psi:vnl : 5.13s CPU 5.28s WALL ( 7643 calls) add_vuspsi : 2.84s CPU 2.98s WALL ( 7643 calls) General routines calbec : 2.27s CPU 2.27s WALL ( 7643 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 26.53s CPU 27.34s WALL ( 657644 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.18s WALL ( 712 calls) Parallel routines fft_scatter : 13.08s CPU 13.26s WALL ( 657667 calls) PWSCF : 1m32.23s CPU 1m43.29s WALL This run was terminated on: 18:30:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=