Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:43:56 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./CO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 24 7 1549 672 109 Max 43 25 8 1556 697 113 Sum 1505 869 261 55831 24431 4019 bravais-lattice index = 14 lattice parameter (alat) = 7.6213 a.u. unit-cell volume = 559.4581 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.621265 celldm(2)= 1.000000 celldm(3)= 1.263823 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.263823 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.791250 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) C 4.00 12.01070 C( 1.00) 4 Sym. Ops. (no inversion) found ( 2 have fractional translation) (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6319117 ) isym = 3 180 deg rotation - cart. axis [1,1,0] cryst. s( 3) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( -0.0000000 -1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6319117 ) double point group D_2 (222) there are 5 classes and 1 irreducible representations the character table: E -E C2 C2' C2'' -C2 -C2' -C2'' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [1,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,-1,0] Cartesian axes number of k points= 370 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0027027 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0027027 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0027027 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0027027 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0027027 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0027027 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0027027 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0027027 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0027027 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0027027 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0027027 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0027027 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027027 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0027027 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0027027 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0027027 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0027027 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0027027 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0027027 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0027027 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0027027 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0027027 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0027027 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0027027 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0027027 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0027027 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0027027 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0027027 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0027027 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0027027 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0027027 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0027027 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0027027 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0027027 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0027027 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0027027 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0027027 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0027027 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0027027 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0027027 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0027027 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0027027 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0027027 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0027027 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0027027 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0027027 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0027027 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0027027 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0027027 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0027027 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0027027 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0027027 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0027027 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0027027 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0027027 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0027027 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0027027 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0027027 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0027027 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0027027 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0027027 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0027027 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0027027 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027027 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0027027 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0027027 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0027027 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0027027 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0027027 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0027027 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0027027 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0027027 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0027027 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0027027 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0027027 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0027027 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 82) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0027027 k( 83) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0027027 k( 84) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0027027 k( 85) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0027027 k( 86) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0027027 k( 87) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0027027 k( 88) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0027027 k( 89) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0027027 k( 90) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0027027 k( 91) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0027027 k( 92) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0027027 k( 93) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0027027 k( 94) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0027027 k( 95) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0027027 k( 96) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0027027 k( 97) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0027027 k( 98) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0027027 k( 99) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0027027 k( 100) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0027027 k( 101) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0027027 k( 102) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0027027 k( 103) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0027027 k( 104) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0027027 k( 105) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0027027 k( 106) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0027027 k( 107) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0027027 k( 108) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0027027 k( 109) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027027 k( 110) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0027027 k( 111) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0027027 k( 112) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0027027 k( 113) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0027027 k( 114) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0027027 k( 115) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0027027 k( 116) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0027027 k( 117) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0027027 k( 118) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0027027 k( 119) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0027027 k( 120) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0027027 k( 121) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0027027 k( 122) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0027027 k( 123) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0027027 k( 124) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0027027 k( 125) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0027027 k( 126) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0027027 k( 127) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0027027 k( 128) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0027027 k( 129) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0027027 k( 130) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0027027 k( 131) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0027027 k( 132) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0027027 k( 133) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0027027 k( 134) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0027027 k( 135) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0027027 k( 136) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0027027 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 139) = ( 0.0000000 0.0000000 0.0127621), wk = 0.0027027 k( 140) = ( 0.0000000 0.0000000 0.0255242), wk = 0.0027027 k( 141) = ( 0.0000000 0.0000000 0.0382863), wk = 0.0027027 k( 142) = ( 0.0000000 0.0000000 0.0510484), wk = 0.0027027 k( 143) = ( 0.0000000 0.0000000 0.0638105), wk = 0.0027027 k( 144) = ( 0.0000000 0.0000000 0.0765726), wk = 0.0027027 k( 145) = ( 0.0000000 0.0000000 0.0893347), wk = 0.0027027 k( 146) = ( 0.0000000 0.0000000 0.1020967), wk = 0.0027027 k( 147) = ( 0.0000000 0.0000000 0.1148588), wk = 0.0027027 k( 148) = ( 0.0000000 0.0000000 0.1276209), wk = 0.0027027 k( 149) = ( 0.0000000 0.0000000 0.1403830), wk = 0.0027027 k( 150) = ( 0.0000000 0.0000000 0.1531451), wk = 0.0027027 k( 151) = ( 0.0000000 0.0000000 0.1659072), wk = 0.0027027 k( 152) = ( 0.0000000 0.0000000 0.1786693), wk = 0.0027027 k( 153) = ( 0.0000000 0.0000000 0.1914314), wk = 0.0027027 k( 154) = ( 0.0000000 0.0000000 0.2041935), wk = 0.0027027 k( 155) = ( 0.0000000 0.0000000 0.2169556), wk = 0.0027027 k( 156) = ( 0.0000000 0.0000000 0.2297177), wk = 0.0027027 k( 157) = ( 0.0000000 0.0000000 0.2424798), wk = 0.0027027 k( 158) = ( 0.0000000 0.0000000 0.2552419), wk = 0.0027027 k( 159) = ( 0.0000000 0.0000000 0.2680040), wk = 0.0027027 k( 160) = ( 0.0000000 0.0000000 0.2807660), wk = 0.0027027 k( 161) = ( 0.0000000 0.0000000 0.2935281), wk = 0.0027027 k( 162) = ( 0.0000000 0.0000000 0.3062902), wk = 0.0027027 k( 163) = ( 0.0000000 0.0000000 0.3190523), wk = 0.0027027 k( 164) = ( 0.0000000 0.0000000 0.3318144), wk = 0.0027027 k( 165) = ( 0.0000000 0.0000000 0.3445765), wk = 0.0027027 k( 166) = ( 0.0000000 0.0000000 0.3573386), wk = 0.0027027 k( 167) = ( 0.0000000 0.0000000 0.3701007), wk = 0.0027027 k( 168) = ( 0.0000000 0.0000000 0.3828628), wk = 0.0027027 k( 169) = ( 0.0000000 0.0000000 0.3956249), wk = 0.0027027 k( 170) = ( 0.0000000 0.0000000 0.3956249), wk = 0.0027027 k( 171) = ( 0.0000000 0.0128205 0.3956249), wk = 0.0027027 k( 172) = ( 0.0000000 0.0256410 0.3956249), wk = 0.0027027 k( 173) = ( 0.0000000 0.0384615 0.3956249), wk = 0.0027027 k( 174) = ( 0.0000000 0.0512821 0.3956249), wk = 0.0027027 k( 175) = ( 0.0000000 0.0641026 0.3956249), wk = 0.0027027 k( 176) = ( 0.0000000 0.0769231 0.3956249), wk = 0.0027027 k( 177) = ( 0.0000000 0.0897436 0.3956249), wk = 0.0027027 k( 178) = ( 0.0000000 0.1025641 0.3956249), wk = 0.0027027 k( 179) = ( 0.0000000 0.1153846 0.3956249), wk = 0.0027027 k( 180) = ( 0.0000000 0.1282051 0.3956249), wk = 0.0027027 k( 181) = ( 0.0000000 0.1410256 0.3956249), wk = 0.0027027 k( 182) = ( 0.0000000 0.1538461 0.3956249), wk = 0.0027027 k( 183) = ( 0.0000000 0.1666667 0.3956249), wk = 0.0027027 k( 184) = ( 0.0000000 0.1794872 0.3956249), wk = 0.0027027 k( 185) = ( 0.0000000 0.1923077 0.3956249), wk = 0.0027027 k( 186) = ( 0.0000000 0.2051282 0.3956249), wk = 0.0027027 k( 187) = ( 0.0000000 0.2179487 0.3956249), wk = 0.0027027 k( 188) = ( 0.0000000 0.2307692 0.3956249), wk = 0.0027027 k( 189) = ( 0.0000000 0.2435897 0.3956249), wk = 0.0027027 k( 190) = ( 0.0000000 0.2564103 0.3956249), wk = 0.0027027 k( 191) = ( 0.0000000 0.2692308 0.3956249), wk = 0.0027027 k( 192) = ( 0.0000000 0.2820513 0.3956249), wk = 0.0027027 k( 193) = ( 0.0000000 0.2948718 0.3956249), wk = 0.0027027 k( 194) = ( 0.0000000 0.3076923 0.3956249), wk = 0.0027027 k( 195) = ( 0.0000000 0.3205128 0.3956249), wk = 0.0027027 k( 196) = ( 0.0000000 0.3333333 0.3956249), wk = 0.0027027 k( 197) = ( 0.0000000 0.3461538 0.3956249), wk = 0.0027027 k( 198) = ( 0.0000000 0.3589744 0.3956249), wk = 0.0027027 k( 199) = ( 0.0000000 0.3717949 0.3956249), wk = 0.0027027 k( 200) = ( 0.0000000 0.3846154 0.3956249), wk = 0.0027027 k( 201) = ( 0.0000000 0.3974359 0.3956249), wk = 0.0027027 k( 202) = ( 0.0000000 0.4102564 0.3956249), wk = 0.0027027 k( 203) = ( 0.0000000 0.4230769 0.3956249), wk = 0.0027027 k( 204) = ( 0.0000000 0.4358974 0.3956249), wk = 0.0027027 k( 205) = ( 0.0000000 0.4487179 0.3956249), wk = 0.0027027 k( 206) = ( 0.0000000 0.4615385 0.3956249), wk = 0.0027027 k( 207) = ( 0.0000000 0.4743590 0.3956249), wk = 0.0027027 k( 208) = ( 0.0000000 0.4871795 0.3956249), wk = 0.0027027 k( 209) = ( 0.0000000 0.5000000 0.3956249), wk = 0.0027027 k( 210) = ( 0.0000000 0.5000000 0.3956249), wk = 0.0027027 k( 211) = ( 0.0128205 0.5000000 0.3956249), wk = 0.0027027 k( 212) = ( 0.0256410 0.5000000 0.3956249), wk = 0.0027027 k( 213) = ( 0.0384615 0.5000000 0.3956249), wk = 0.0027027 k( 214) = ( 0.0512821 0.5000000 0.3956249), wk = 0.0027027 k( 215) = ( 0.0641026 0.5000000 0.3956249), wk = 0.0027027 k( 216) = ( 0.0769231 0.5000000 0.3956249), wk = 0.0027027 k( 217) = ( 0.0897436 0.5000000 0.3956249), wk = 0.0027027 k( 218) = ( 0.1025641 0.5000000 0.3956249), wk = 0.0027027 k( 219) = ( 0.1153846 0.5000000 0.3956249), wk = 0.0027027 k( 220) = ( 0.1282051 0.5000000 0.3956249), wk = 0.0027027 k( 221) = ( 0.1410256 0.5000000 0.3956249), wk = 0.0027027 k( 222) = ( 0.1538461 0.5000000 0.3956249), wk = 0.0027027 k( 223) = ( 0.1666667 0.5000000 0.3956249), wk = 0.0027027 k( 224) = ( 0.1794872 0.5000000 0.3956249), wk = 0.0027027 k( 225) = ( 0.1923077 0.5000000 0.3956249), wk = 0.0027027 k( 226) = ( 0.2051282 0.5000000 0.3956249), wk = 0.0027027 k( 227) = ( 0.2179487 0.5000000 0.3956249), wk = 0.0027027 k( 228) = ( 0.2307692 0.5000000 0.3956249), wk = 0.0027027 k( 229) = ( 0.2435897 0.5000000 0.3956249), wk = 0.0027027 k( 230) = ( 0.2564103 0.5000000 0.3956249), wk = 0.0027027 k( 231) = ( 0.2692308 0.5000000 0.3956249), wk = 0.0027027 k( 232) = ( 0.2820513 0.5000000 0.3956249), wk = 0.0027027 k( 233) = ( 0.2948718 0.5000000 0.3956249), wk = 0.0027027 k( 234) = ( 0.3076923 0.5000000 0.3956249), wk = 0.0027027 k( 235) = ( 0.3205128 0.5000000 0.3956249), wk = 0.0027027 k( 236) = ( 0.3333333 0.5000000 0.3956249), wk = 0.0027027 k( 237) = ( 0.3461538 0.5000000 0.3956249), wk = 0.0027027 k( 238) = ( 0.3589744 0.5000000 0.3956249), wk = 0.0027027 k( 239) = ( 0.3717949 0.5000000 0.3956249), wk = 0.0027027 k( 240) = ( 0.3846154 0.5000000 0.3956249), wk = 0.0027027 k( 241) = ( 0.3974359 0.5000000 0.3956249), wk = 0.0027027 k( 242) = ( 0.4102564 0.5000000 0.3956249), wk = 0.0027027 k( 243) = ( 0.4230769 0.5000000 0.3956249), wk = 0.0027027 k( 244) = ( 0.4358974 0.5000000 0.3956249), wk = 0.0027027 k( 245) = ( 0.4487179 0.5000000 0.3956249), wk = 0.0027027 k( 246) = ( 0.4615385 0.5000000 0.3956249), wk = 0.0027027 k( 247) = ( 0.4743590 0.5000000 0.3956249), wk = 0.0027027 k( 248) = ( 0.4871795 0.5000000 0.3956249), wk = 0.0027027 k( 249) = ( 0.5000000 0.5000000 0.3956249), wk = 0.0027027 k( 250) = ( 0.5000000 0.5000000 0.3956249), wk = 0.0027027 k( 251) = ( 0.4910714 0.4910714 0.3956249), wk = 0.0027027 k( 252) = ( 0.4821429 0.4821429 0.3956249), wk = 0.0027027 k( 253) = ( 0.4732143 0.4732143 0.3956249), wk = 0.0027027 k( 254) = ( 0.4642857 0.4642857 0.3956249), wk = 0.0027027 k( 255) = ( 0.4553571 0.4553571 0.3956249), wk = 0.0027027 k( 256) = ( 0.4464286 0.4464286 0.3956249), wk = 0.0027027 k( 257) = ( 0.4375000 0.4375000 0.3956249), wk = 0.0027027 k( 258) = ( 0.4285714 0.4285714 0.3956249), wk = 0.0027027 k( 259) = ( 0.4196429 0.4196429 0.3956249), wk = 0.0027027 k( 260) = ( 0.4107143 0.4107143 0.3956249), wk = 0.0027027 k( 261) = ( 0.4017857 0.4017857 0.3956249), wk = 0.0027027 k( 262) = ( 0.3928571 0.3928571 0.3956249), wk = 0.0027027 k( 263) = ( 0.3839286 0.3839286 0.3956249), wk = 0.0027027 k( 264) = ( 0.3750000 0.3750000 0.3956249), wk = 0.0027027 k( 265) = ( 0.3660714 0.3660714 0.3956249), wk = 0.0027027 k( 266) = ( 0.3571429 0.3571429 0.3956249), wk = 0.0027027 k( 267) = ( 0.3482143 0.3482143 0.3956249), wk = 0.0027027 k( 268) = ( 0.3392857 0.3392857 0.3956249), wk = 0.0027027 k( 269) = ( 0.3303571 0.3303571 0.3956249), wk = 0.0027027 k( 270) = ( 0.3214286 0.3214286 0.3956249), wk = 0.0027027 k( 271) = ( 0.3125000 0.3125000 0.3956249), wk = 0.0027027 k( 272) = ( 0.3035714 0.3035714 0.3956249), wk = 0.0027027 k( 273) = ( 0.2946429 0.2946429 0.3956249), wk = 0.0027027 k( 274) = ( 0.2857143 0.2857143 0.3956249), wk = 0.0027027 k( 275) = ( 0.2767857 0.2767857 0.3956249), wk = 0.0027027 k( 276) = ( 0.2678571 0.2678571 0.3956249), wk = 0.0027027 k( 277) = ( 0.2589286 0.2589286 0.3956249), wk = 0.0027027 k( 278) = ( 0.2500000 0.2500000 0.3956249), wk = 0.0027027 k( 279) = ( 0.2410714 0.2410714 0.3956249), wk = 0.0027027 k( 280) = ( 0.2321429 0.2321429 0.3956249), wk = 0.0027027 k( 281) = ( 0.2232143 0.2232143 0.3956249), wk = 0.0027027 k( 282) = ( 0.2142857 0.2142857 0.3956249), wk = 0.0027027 k( 283) = ( 0.2053571 0.2053571 0.3956249), wk = 0.0027027 k( 284) = ( 0.1964286 0.1964286 0.3956249), wk = 0.0027027 k( 285) = ( 0.1875000 0.1875000 0.3956249), wk = 0.0027027 k( 286) = ( 0.1785714 0.1785714 0.3956249), wk = 0.0027027 k( 287) = ( 0.1696429 0.1696429 0.3956249), wk = 0.0027027 k( 288) = ( 0.1607143 0.1607143 0.3956249), wk = 0.0027027 k( 289) = ( 0.1517857 0.1517857 0.3956249), wk = 0.0027027 k( 290) = ( 0.1428571 0.1428571 0.3956249), wk = 0.0027027 k( 291) = ( 0.1339286 0.1339286 0.3956249), wk = 0.0027027 k( 292) = ( 0.1250000 0.1250000 0.3956249), wk = 0.0027027 k( 293) = ( 0.1160714 0.1160714 0.3956249), wk = 0.0027027 k( 294) = ( 0.1071429 0.1071429 0.3956249), wk = 0.0027027 k( 295) = ( 0.0982143 0.0982143 0.3956249), wk = 0.0027027 k( 296) = ( 0.0892857 0.0892857 0.3956249), wk = 0.0027027 k( 297) = ( 0.0803571 0.0803571 0.3956249), wk = 0.0027027 k( 298) = ( 0.0714286 0.0714286 0.3956249), wk = 0.0027027 k( 299) = ( 0.0625000 0.0625000 0.3956249), wk = 0.0027027 k( 300) = ( 0.0535714 0.0535714 0.3956249), wk = 0.0027027 k( 301) = ( 0.0446429 0.0446429 0.3956249), wk = 0.0027027 k( 302) = ( 0.0357143 0.0357143 0.3956249), wk = 0.0027027 k( 303) = ( 0.0267857 0.0267857 0.3956249), wk = 0.0027027 k( 304) = ( 0.0178571 0.0178571 0.3956249), wk = 0.0027027 k( 305) = ( 0.0089286 0.0089286 0.3956249), wk = 0.0027027 k( 306) = ( 0.0000000 0.0000000 0.3956249), wk = 0.0027027 k( 307) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 308) = ( 0.0000000 0.5000000 0.0127621), wk = 0.0027027 k( 309) = ( 0.0000000 0.5000000 0.0255242), wk = 0.0027027 k( 310) = ( 0.0000000 0.5000000 0.0382863), wk = 0.0027027 k( 311) = ( 0.0000000 0.5000000 0.0510484), wk = 0.0027027 k( 312) = ( 0.0000000 0.5000000 0.0638105), wk = 0.0027027 k( 313) = ( 0.0000000 0.5000000 0.0765726), wk = 0.0027027 k( 314) = ( 0.0000000 0.5000000 0.0893347), wk = 0.0027027 k( 315) = ( 0.0000000 0.5000000 0.1020967), wk = 0.0027027 k( 316) = ( 0.0000000 0.5000000 0.1148588), wk = 0.0027027 k( 317) = ( 0.0000000 0.5000000 0.1276209), wk = 0.0027027 k( 318) = ( 0.0000000 0.5000000 0.1403830), wk = 0.0027027 k( 319) = ( 0.0000000 0.5000000 0.1531451), wk = 0.0027027 k( 320) = ( 0.0000000 0.5000000 0.1659072), wk = 0.0027027 k( 321) = ( 0.0000000 0.5000000 0.1786693), wk = 0.0027027 k( 322) = ( 0.0000000 0.5000000 0.1914314), wk = 0.0027027 k( 323) = ( 0.0000000 0.5000000 0.2041935), wk = 0.0027027 k( 324) = ( 0.0000000 0.5000000 0.2169556), wk = 0.0027027 k( 325) = ( 0.0000000 0.5000000 0.2297177), wk = 0.0027027 k( 326) = ( 0.0000000 0.5000000 0.2424798), wk = 0.0027027 k( 327) = ( 0.0000000 0.5000000 0.2552419), wk = 0.0027027 k( 328) = ( 0.0000000 0.5000000 0.2680040), wk = 0.0027027 k( 329) = ( 0.0000000 0.5000000 0.2807660), wk = 0.0027027 k( 330) = ( 0.0000000 0.5000000 0.2935281), wk = 0.0027027 k( 331) = ( 0.0000000 0.5000000 0.3062902), wk = 0.0027027 k( 332) = ( 0.0000000 0.5000000 0.3190523), wk = 0.0027027 k( 333) = ( 0.0000000 0.5000000 0.3318144), wk = 0.0027027 k( 334) = ( 0.0000000 0.5000000 0.3445765), wk = 0.0027027 k( 335) = ( 0.0000000 0.5000000 0.3573386), wk = 0.0027027 k( 336) = ( 0.0000000 0.5000000 0.3701007), wk = 0.0027027 k( 337) = ( 0.0000000 0.5000000 0.3828628), wk = 0.0027027 k( 338) = ( 0.0000000 0.5000000 0.3956249), wk = 0.0027027 k( 339) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 340) = ( 0.5000000 0.5000000 0.0127621), wk = 0.0027027 k( 341) = ( 0.5000000 0.5000000 0.0255242), wk = 0.0027027 k( 342) = ( 0.5000000 0.5000000 0.0382863), wk = 0.0027027 k( 343) = ( 0.5000000 0.5000000 0.0510484), wk = 0.0027027 k( 344) = ( 0.5000000 0.5000000 0.0638105), wk = 0.0027027 k( 345) = ( 0.5000000 0.5000000 0.0765726), wk = 0.0027027 k( 346) = ( 0.5000000 0.5000000 0.0893347), wk = 0.0027027 k( 347) = ( 0.5000000 0.5000000 0.1020967), wk = 0.0027027 k( 348) = ( 0.5000000 0.5000000 0.1148588), wk = 0.0027027 k( 349) = ( 0.5000000 0.5000000 0.1276209), wk = 0.0027027 k( 350) = ( 0.5000000 0.5000000 0.1403830), wk = 0.0027027 k( 351) = ( 0.5000000 0.5000000 0.1531451), wk = 0.0027027 k( 352) = ( 0.5000000 0.5000000 0.1659072), wk = 0.0027027 k( 353) = ( 0.5000000 0.5000000 0.1786693), wk = 0.0027027 k( 354) = ( 0.5000000 0.5000000 0.1914314), wk = 0.0027027 k( 355) = ( 0.5000000 0.5000000 0.2041935), wk = 0.0027027 k( 356) = ( 0.5000000 0.5000000 0.2169556), wk = 0.0027027 k( 357) = ( 0.5000000 0.5000000 0.2297177), wk = 0.0027027 k( 358) = ( 0.5000000 0.5000000 0.2424798), wk = 0.0027027 k( 359) = ( 0.5000000 0.5000000 0.2552419), wk = 0.0027027 k( 360) = ( 0.5000000 0.5000000 0.2680040), wk = 0.0027027 k( 361) = ( 0.5000000 0.5000000 0.2807660), wk = 0.0027027 k( 362) = ( 0.5000000 0.5000000 0.2935281), wk = 0.0027027 k( 363) = ( 0.5000000 0.5000000 0.3062902), wk = 0.0027027 k( 364) = ( 0.5000000 0.5000000 0.3190523), wk = 0.0027027 k( 365) = ( 0.5000000 0.5000000 0.3318144), wk = 0.0027027 k( 366) = ( 0.5000000 0.5000000 0.3445765), wk = 0.0027027 k( 367) = ( 0.5000000 0.5000000 0.3573386), wk = 0.0027027 k( 368) = ( 0.5000000 0.5000000 0.3701007), wk = 0.0027027 k( 369) = ( 0.5000000 0.5000000 0.3828628), wk = 0.0027027 k( 370) = ( 0.5000000 0.5000000 0.3956249), wk = 0.0027027 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0027027 k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0027027 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0027027 k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0027027 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0027027 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0027027 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0027027 k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0027027 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0027027 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0027027 k( 12) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0027027 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0027027 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027027 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0027027 k( 16) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0027027 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0027027 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0027027 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0027027 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0027027 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0027027 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0027027 k( 23) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0027027 k( 24) = ( 0.0000000 0.2948718 0.0000000), wk = 0.0027027 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0027027 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0027027 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0027027 k( 28) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0027027 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0027027 k( 30) = ( 0.0000000 0.3717949 0.0000000), wk = 0.0027027 k( 31) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0027027 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0027027 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0027027 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0027027 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0027027 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0027027 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0027027 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0027027 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0027027 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0027027 k( 43) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0027027 k( 44) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0027027 k( 45) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0027027 k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0027027 k( 47) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0027027 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0027027 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0027027 k( 50) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0027027 k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0027027 k( 52) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0027027 k( 53) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0027027 k( 54) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0027027 k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0027027 k( 56) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0027027 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0027027 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0027027 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0027027 k( 60) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0027027 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0027027 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0027027 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0027027 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0027027 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0027027 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0027027 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027027 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0027027 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0027027 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0027027 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0027027 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0027027 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0027027 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0027027 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0027027 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0027027 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0027027 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0027027 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0027027 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 82) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0027027 k( 83) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0027027 k( 84) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0027027 k( 85) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0027027 k( 86) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0027027 k( 87) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0027027 k( 88) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0027027 k( 89) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0027027 k( 90) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0027027 k( 91) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0027027 k( 92) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0027027 k( 93) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0027027 k( 94) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0027027 k( 95) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0027027 k( 96) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0027027 k( 97) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0027027 k( 98) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0027027 k( 99) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0027027 k( 100) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0027027 k( 101) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0027027 k( 102) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0027027 k( 103) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0027027 k( 104) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0027027 k( 105) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0027027 k( 106) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0027027 k( 107) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0027027 k( 108) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0027027 k( 109) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027027 k( 110) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0027027 k( 111) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0027027 k( 112) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0027027 k( 113) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0027027 k( 114) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0027027 k( 115) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0027027 k( 116) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0027027 k( 117) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0027027 k( 118) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0027027 k( 119) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0027027 k( 120) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0027027 k( 121) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0027027 k( 122) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0027027 k( 123) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0027027 k( 124) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0027027 k( 125) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0027027 k( 126) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0027027 k( 127) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0027027 k( 128) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0027027 k( 129) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0027027 k( 130) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0027027 k( 131) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0027027 k( 132) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0027027 k( 133) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0027027 k( 134) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0027027 k( 135) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0027027 k( 136) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0027027 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 139) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0027027 k( 140) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0027027 k( 141) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0027027 k( 142) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0027027 k( 143) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0027027 k( 144) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0027027 k( 145) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0027027 k( 146) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0027027 k( 147) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0027027 k( 148) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0027027 k( 149) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0027027 k( 150) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0027027 k( 151) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0027027 k( 152) = ( 0.0000000 0.0000000 0.2258065), wk = 0.0027027 k( 153) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0027027 k( 154) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0027027 k( 155) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0027027 k( 156) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0027027 k( 157) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0027027 k( 158) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0027027 k( 159) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0027027 k( 160) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0027027 k( 161) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0027027 k( 162) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0027027 k( 163) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0027027 k( 164) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0027027 k( 165) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0027027 k( 166) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0027027 k( 167) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0027027 k( 168) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0027027 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 171) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0027027 k( 172) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0027027 k( 173) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0027027 k( 174) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0027027 k( 175) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0027027 k( 176) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0027027 k( 177) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0027027 k( 178) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0027027 k( 179) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0027027 k( 180) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0027027 k( 181) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0027027 k( 182) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0027027 k( 183) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0027027 k( 184) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0027027 k( 185) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0027027 k( 186) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0027027 k( 187) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0027027 k( 188) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0027027 k( 189) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0027027 k( 190) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0027027 k( 191) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0027027 k( 192) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0027027 k( 193) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0027027 k( 194) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0027027 k( 195) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0027027 k( 196) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0027027 k( 197) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0027027 k( 198) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0027027 k( 199) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0027027 k( 200) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0027027 k( 201) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0027027 k( 202) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0027027 k( 203) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0027027 k( 204) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0027027 k( 205) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0027027 k( 206) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0027027 k( 207) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0027027 k( 208) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0027027 k( 209) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027027 k( 210) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027027 k( 211) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0027027 k( 212) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0027027 k( 213) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0027027 k( 214) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0027027 k( 215) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0027027 k( 216) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0027027 k( 217) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0027027 k( 218) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0027027 k( 219) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0027027 k( 220) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0027027 k( 221) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0027027 k( 222) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0027027 k( 223) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0027027 k( 224) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0027027 k( 225) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0027027 k( 226) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0027027 k( 227) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0027027 k( 228) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0027027 k( 229) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0027027 k( 230) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0027027 k( 231) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0027027 k( 232) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0027027 k( 233) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0027027 k( 234) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0027027 k( 235) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0027027 k( 236) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0027027 k( 237) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0027027 k( 238) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0027027 k( 239) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0027027 k( 240) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0027027 k( 241) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0027027 k( 242) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0027027 k( 243) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0027027 k( 244) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0027027 k( 245) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0027027 k( 246) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0027027 k( 247) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0027027 k( 248) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0027027 k( 249) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 250) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 251) = ( 0.4910714 0.4910714 0.5000000), wk = 0.0027027 k( 252) = ( 0.4821429 0.4821429 0.5000000), wk = 0.0027027 k( 253) = ( 0.4732143 0.4732143 0.5000000), wk = 0.0027027 k( 254) = ( 0.4642857 0.4642857 0.5000000), wk = 0.0027027 k( 255) = ( 0.4553571 0.4553571 0.5000000), wk = 0.0027027 k( 256) = ( 0.4464286 0.4464286 0.5000000), wk = 0.0027027 k( 257) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0027027 k( 258) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0027027 k( 259) = ( 0.4196429 0.4196429 0.5000000), wk = 0.0027027 k( 260) = ( 0.4107143 0.4107143 0.5000000), wk = 0.0027027 k( 261) = ( 0.4017857 0.4017857 0.5000000), wk = 0.0027027 k( 262) = ( 0.3928571 0.3928571 0.5000000), wk = 0.0027027 k( 263) = ( 0.3839286 0.3839286 0.5000000), wk = 0.0027027 k( 264) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0027027 k( 265) = ( 0.3660714 0.3660714 0.5000000), wk = 0.0027027 k( 266) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0027027 k( 267) = ( 0.3482143 0.3482143 0.5000000), wk = 0.0027027 k( 268) = ( 0.3392857 0.3392857 0.5000000), wk = 0.0027027 k( 269) = ( 0.3303571 0.3303571 0.5000000), wk = 0.0027027 k( 270) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0027027 k( 271) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0027027 k( 272) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0027027 k( 273) = ( 0.2946429 0.2946429 0.5000000), wk = 0.0027027 k( 274) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0027027 k( 275) = ( 0.2767857 0.2767857 0.5000000), wk = 0.0027027 k( 276) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0027027 k( 277) = ( 0.2589286 0.2589286 0.5000000), wk = 0.0027027 k( 278) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0027027 k( 279) = ( 0.2410714 0.2410714 0.5000000), wk = 0.0027027 k( 280) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0027027 k( 281) = ( 0.2232143 0.2232143 0.5000000), wk = 0.0027027 k( 282) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0027027 k( 283) = ( 0.2053571 0.2053571 0.5000000), wk = 0.0027027 k( 284) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0027027 k( 285) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0027027 k( 286) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0027027 k( 287) = ( 0.1696429 0.1696429 0.5000000), wk = 0.0027027 k( 288) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0027027 k( 289) = ( 0.1517857 0.1517857 0.5000000), wk = 0.0027027 k( 290) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0027027 k( 291) = ( 0.1339286 0.1339286 0.5000000), wk = 0.0027027 k( 292) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0027027 k( 293) = ( 0.1160714 0.1160714 0.5000000), wk = 0.0027027 k( 294) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0027027 k( 295) = ( 0.0982143 0.0982143 0.5000000), wk = 0.0027027 k( 296) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0027027 k( 297) = ( 0.0803571 0.0803571 0.5000000), wk = 0.0027027 k( 298) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0027027 k( 299) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0027027 k( 300) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0027027 k( 301) = ( 0.0446429 0.0446429 0.5000000), wk = 0.0027027 k( 302) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0027027 k( 303) = ( 0.0267857 0.0267857 0.5000000), wk = 0.0027027 k( 304) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0027027 k( 305) = ( 0.0089286 0.0089286 0.5000000), wk = 0.0027027 k( 306) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 307) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 308) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0027027 k( 309) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0027027 k( 310) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0027027 k( 311) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0027027 k( 312) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0027027 k( 313) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0027027 k( 314) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0027027 k( 315) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0027027 k( 316) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0027027 k( 317) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0027027 k( 318) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0027027 k( 319) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0027027 k( 320) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0027027 k( 321) = ( 0.0000000 0.5000000 0.2258065), wk = 0.0027027 k( 322) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0027027 k( 323) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0027027 k( 324) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0027027 k( 325) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0027027 k( 326) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0027027 k( 327) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0027027 k( 328) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0027027 k( 329) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0027027 k( 330) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0027027 k( 331) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0027027 k( 332) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0027027 k( 333) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0027027 k( 334) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0027027 k( 335) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0027027 k( 336) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0027027 k( 337) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0027027 k( 338) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027027 k( 339) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 340) = ( 0.5000000 0.5000000 0.0161290), wk = 0.0027027 k( 341) = ( 0.5000000 0.5000000 0.0322581), wk = 0.0027027 k( 342) = ( 0.5000000 0.5000000 0.0483871), wk = 0.0027027 k( 343) = ( 0.5000000 0.5000000 0.0645161), wk = 0.0027027 k( 344) = ( 0.5000000 0.5000000 0.0806452), wk = 0.0027027 k( 345) = ( 0.5000000 0.5000000 0.0967742), wk = 0.0027027 k( 346) = ( 0.5000000 0.5000000 0.1129032), wk = 0.0027027 k( 347) = ( 0.5000000 0.5000000 0.1290323), wk = 0.0027027 k( 348) = ( 0.5000000 0.5000000 0.1451613), wk = 0.0027027 k( 349) = ( 0.5000000 0.5000000 0.1612903), wk = 0.0027027 k( 350) = ( 0.5000000 0.5000000 0.1774194), wk = 0.0027027 k( 351) = ( 0.5000000 0.5000000 0.1935484), wk = 0.0027027 k( 352) = ( 0.5000000 0.5000000 0.2096774), wk = 0.0027027 k( 353) = ( 0.5000000 0.5000000 0.2258064), wk = 0.0027027 k( 354) = ( 0.5000000 0.5000000 0.2419355), wk = 0.0027027 k( 355) = ( 0.5000000 0.5000000 0.2580645), wk = 0.0027027 k( 356) = ( 0.5000000 0.5000000 0.2741936), wk = 0.0027027 k( 357) = ( 0.5000000 0.5000000 0.2903226), wk = 0.0027027 k( 358) = ( 0.5000000 0.5000000 0.3064516), wk = 0.0027027 k( 359) = ( 0.5000000 0.5000000 0.3225807), wk = 0.0027027 k( 360) = ( 0.5000000 0.5000000 0.3387097), wk = 0.0027027 k( 361) = ( 0.5000000 0.5000000 0.3548387), wk = 0.0027027 k( 362) = ( 0.5000000 0.5000000 0.3709677), wk = 0.0027027 k( 363) = ( 0.5000000 0.5000000 0.3870968), wk = 0.0027027 k( 364) = ( 0.5000000 0.5000000 0.4032258), wk = 0.0027027 k( 365) = ( 0.5000000 0.5000000 0.4193548), wk = 0.0027027 k( 366) = ( 0.5000000 0.5000000 0.4354839), wk = 0.0027027 k( 367) = ( 0.5000000 0.5000000 0.4516129), wk = 0.0027027 k( 368) = ( 0.5000000 0.5000000 0.4677419), wk = 0.0027027 k( 369) = ( 0.5000000 0.5000000 0.4838710), wk = 0.0027027 k( 370) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027027 Dense grid: 55831 G-vectors FFT dimensions: ( 45, 45, 60) Smooth grid: 24431 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 172, 76) NL pseudopotentials 0.22 Mb ( 86, 168) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1550) G-vector shells 0.01 Mb ( 759) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.80 Mb ( 172, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.39 Mb ( 168, 2, 76) Check: negative/imaginary core charge= -0.000011 0.000000 The potential is recalculated from file : ./CO2.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3.4 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5.9 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 8.3 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 11.1 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 13.5 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 16.0 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 18.4 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 20.8 secs Computing kpt #: 9 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 23.3 secs Computing kpt #: 10 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 25.8 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 28.2 secs Computing kpt #: 12 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 30.8 secs Computing kpt #: 13 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 33.2 secs Computing kpt #: 14 total cpu time spent up to now is 35.5 secs Computing kpt #: 15 total cpu time spent up to now is 37.5 secs Computing kpt #: 16 total cpu time spent up to now is 39.4 secs Computing kpt #: 17 total cpu time spent up to now is 41.3 secs Computing kpt #: 18 total cpu time spent up to now is 42.8 secs Computing kpt #: 19 total cpu time spent up to now is 44.0 secs Computing kpt #: 20 total cpu time spent up to now is 45.4 secs Computing kpt #: 21 total cpu time spent up to now is 46.6 secs Computing kpt #: 22 total cpu time spent up to now is 47.8 secs Computing kpt #: 23 total cpu time spent up to now is 48.9 secs Computing kpt #: 24 total cpu time spent up to now is 50.0 secs Computing kpt #: 25 total cpu time spent up to now is 50.9 secs Computing kpt #: 26 total cpu time spent up to now is 52.1 secs Computing kpt #: 27 total cpu time spent up to now is 53.2 secs Computing kpt #: 28 total cpu time spent up to now is 54.4 secs Computing kpt #: 29 total cpu time spent up to now is 55.3 secs Computing kpt #: 30 total cpu time spent up to now is 56.5 secs Computing kpt #: 31 total cpu time spent up to now is 57.7 secs Computing kpt #: 32 total cpu time spent up to now is 58.9 secs Computing kpt #: 33 total cpu time spent up to now is 60.1 secs Computing kpt #: 34 total cpu time spent up to now is 61.5 secs Computing kpt #: 35 total cpu time spent up to now is 62.8 secs Computing kpt #: 36 total cpu time spent up to now is 64.1 secs Computing kpt #: 37 total cpu time spent up to now is 65.4 secs Computing kpt #: 38 total cpu time spent up to now is 66.7 secs Computing kpt #: 39 total cpu time spent up to now is 68.0 secs Computing kpt #: 40 total cpu time spent up to now is 69.3 secs Computing kpt #: 41 total cpu time spent up to now is 70.6 secs Computing kpt #: 42 total cpu time spent up to now is 71.9 secs Computing kpt #: 43 total cpu time spent up to now is 73.2 secs Computing kpt #: 44 total cpu time spent up to now is 74.6 secs Computing kpt #: 45 total cpu time spent up to now is 75.8 secs Computing kpt #: 46 total cpu time spent up to now is 77.2 secs Computing kpt #: 47 total cpu time spent up to now is 78.5 secs Computing kpt #: 48 total cpu time spent up to now is 79.8 secs Computing kpt #: 49 total cpu time spent up to now is 81.2 secs Computing kpt #: 50 total cpu time spent up to now is 82.4 secs Computing kpt #: 51 total cpu time spent up to now is 83.7 secs Computing kpt #: 52 total cpu time spent up to now is 84.9 secs Computing kpt #: 53 total cpu time spent up to now is 86.3 secs Computing kpt #: 54 total cpu time spent up to now is 87.5 secs Computing kpt #: 55 total cpu time spent up to now is 88.7 secs Computing kpt #: 56 total cpu time spent up to now is 90.0 secs Computing kpt #: 57 total cpu time spent up to now is 91.2 secs Computing kpt #: 58 total cpu time spent up to now is 92.4 secs Computing kpt #: 59 total cpu time spent up to now is 93.7 secs Computing kpt #: 60 total cpu time spent up to now is 94.9 secs Computing kpt #: 61 total cpu time spent up to now is 96.1 secs Computing kpt #: 62 total cpu time spent up to now is 97.3 secs Computing kpt #: 63 total cpu time spent up to now is 98.5 secs Computing kpt #: 64 total cpu time spent up to now is 99.7 secs Computing kpt #: 65 total cpu time spent up to now is 100.9 secs Computing kpt #: 66 total cpu time spent up to now is 102.0 secs Computing kpt #: 67 total cpu time spent up to now is 103.0 secs Computing kpt #: 68 total cpu time spent up to now is 104.1 secs Computing kpt #: 69 total cpu time spent up to now is 105.3 secs Computing kpt #: 70 total cpu time spent up to now is 106.4 secs Computing kpt #: 71 total cpu time spent up to now is 107.6 secs Computing kpt #: 72 total cpu time spent up to now is 108.7 secs Computing kpt #: 73 total cpu time spent up to now is 109.9 secs Computing kpt #: 74 total cpu time spent up to now is 111.0 secs Computing kpt #: 75 total cpu time spent up to now is 112.2 secs Computing kpt #: 76 total cpu time spent up to now is 113.3 secs Computing kpt #: 77 total cpu time spent up to now is 114.5 secs Computing kpt #: 78 total cpu time spent up to now is 115.6 secs Computing kpt #: 79 total cpu time spent up to now is 116.7 secs Computing kpt #: 80 total cpu time spent up to now is 117.7 secs Computing kpt #: 81 total cpu time spent up to now is 118.8 secs Computing kpt #: 82 total cpu time spent up to now is 119.9 secs Computing kpt #: 83 total cpu time spent up to now is 121.0 secs Computing kpt #: 84 total cpu time spent up to now is 122.1 secs Computing kpt #: 85 total cpu time spent up to now is 123.3 secs Computing kpt #: 86 total cpu time spent up to now is 124.5 secs Computing kpt #: 87 total cpu time spent up to now is 125.7 secs Computing kpt #: 88 total cpu time spent up to now is 126.9 secs Computing kpt #: 89 total cpu time spent up to now is 128.2 secs Computing kpt #: 90 total cpu time spent up to now is 129.4 secs Computing kpt #: 91 total cpu time spent up to now is 130.7 secs Computing kpt #: 92 total cpu time spent up to now is 132.0 secs Computing kpt #: 93 total cpu time spent up to now is 133.3 secs Computing kpt #: 94 total cpu time spent up to now is 134.7 secs Computing kpt #: 95 total cpu time spent up to now is 136.1 secs Computing kpt #: 96 total cpu time spent up to now is 137.5 secs Computing kpt #: 97 total cpu time spent up to now is 139.0 secs Computing kpt #: 98 total cpu time spent up to now is 140.4 secs Computing kpt #: 99 total cpu time spent up to now is 141.8 secs Computing kpt #: 100 total cpu time spent up to now is 143.3 secs Computing kpt #: 101 total cpu time spent up to now is 144.6 secs Computing kpt #: 102 total cpu time spent up to now is 146.0 secs Computing kpt #: 103 total cpu time spent up to now is 147.4 secs Computing kpt #: 104 total cpu time spent up to now is 148.7 secs Computing kpt #: 105 total cpu time spent up to now is 150.1 secs Computing kpt #: 106 total cpu time spent up to now is 151.5 secs Computing kpt #: 107 total cpu time spent up to now is 153.0 secs Computing kpt #: 108 total cpu time spent up to now is 154.4 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 156.8 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.1 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 161.6 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 164.0 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 166.4 secs Computing kpt #: 114 total cpu time spent up to now is 168.1 secs Computing kpt #: 115 total cpu time spent up to now is 169.7 secs Computing kpt #: 116 total cpu time spent up to now is 171.6 secs Computing kpt #: 117 total cpu time spent up to now is 173.2 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.6 secs Computing kpt #: 119 total cpu time spent up to now is 177.2 secs Computing kpt #: 120 total cpu time spent up to now is 178.8 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.2 secs Computing kpt #: 122 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 183.6 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 186.0 secs Computing kpt #: 124 total cpu time spent up to now is 187.6 secs Computing kpt #: 125 total cpu time spent up to now is 189.1 secs Computing kpt #: 126 total cpu time spent up to now is 190.7 secs Computing kpt #: 127 total cpu time spent up to now is 192.9 secs Computing kpt #: 128 total cpu time spent up to now is 193.8 secs Computing kpt #: 129 total cpu time spent up to now is 195.3 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 197.6 secs Computing kpt #: 131 total cpu time spent up to now is 199.8 secs Computing kpt #: 132 total cpu time spent up to now is 202.0 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 204.4 secs Computing kpt #: 134 total cpu time spent up to now is 205.5 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.9 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 210.2 secs Computing kpt #: 137 total cpu time spent up to now is 211.6 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 213.8 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.1 secs Computing kpt #: 140 total cpu time spent up to now is 218.4 secs Computing kpt #: 141 total cpu time spent up to now is 220.5 secs Computing kpt #: 142 total cpu time spent up to now is 222.1 secs Computing kpt #: 143 total cpu time spent up to now is 223.1 secs Computing kpt #: 144 total cpu time spent up to now is 224.0 secs Computing kpt #: 145 total cpu time spent up to now is 224.9 secs Computing kpt #: 146 total cpu time spent up to now is 225.9 secs Computing kpt #: 147 total cpu time spent up to now is 226.9 secs Computing kpt #: 148 total cpu time spent up to now is 228.2 secs Computing kpt #: 149 total cpu time spent up to now is 229.2 secs Computing kpt #: 150 total cpu time spent up to now is 230.1 secs Computing kpt #: 151 total cpu time spent up to now is 231.1 secs Computing kpt #: 152 total cpu time spent up to now is 232.0 secs Computing kpt #: 153 total cpu time spent up to now is 232.9 secs Computing kpt #: 154 total cpu time spent up to now is 234.1 secs Computing kpt #: 155 total cpu time spent up to now is 235.1 secs Computing kpt #: 156 total cpu time spent up to now is 236.2 secs Computing kpt #: 157 total cpu time spent up to now is 237.2 secs Computing kpt #: 158 total cpu time spent up to now is 238.1 secs Computing kpt #: 159 total cpu time spent up to now is 239.1 secs Computing kpt #: 160 total cpu time spent up to now is 240.3 secs Computing kpt #: 161 total cpu time spent up to now is 241.6 secs Computing kpt #: 162 total cpu time spent up to now is 243.9 secs Computing kpt #: 163 total cpu time spent up to now is 245.9 secs Computing kpt #: 164 total cpu time spent up to now is 247.4 secs Computing kpt #: 165 total cpu time spent up to now is 248.8 secs Computing kpt #: 166 total cpu time spent up to now is 250.2 secs Computing kpt #: 167 total cpu time spent up to now is 251.5 secs Computing kpt #: 168 total cpu time spent up to now is 252.7 secs Computing kpt #: 169 total cpu time spent up to now is 254.1 secs Computing kpt #: 170 total cpu time spent up to now is 255.4 secs Computing kpt #: 171 total cpu time spent up to now is 256.7 secs Computing kpt #: 172 total cpu time spent up to now is 258.0 secs Computing kpt #: 173 total cpu time spent up to now is 259.3 secs Computing kpt #: 174 total cpu time spent up to now is 260.6 secs Computing kpt #: 175 total cpu time spent up to now is 261.8 secs Computing kpt #: 176 total cpu time spent up to now is 263.1 secs Computing kpt #: 177 total cpu time spent up to now is 264.3 secs Computing kpt #: 178 total cpu time spent up to now is 265.5 secs Computing kpt #: 179 total cpu time spent up to now is 266.6 secs Computing kpt #: 180 total cpu time spent up to now is 267.8 secs Computing kpt #: 181 total cpu time spent up to now is 269.0 secs Computing kpt #: 182 total cpu time spent up to now is 270.2 secs Computing kpt #: 183 total cpu time spent up to now is 271.4 secs Computing kpt #: 184 total cpu time spent up to now is 272.6 secs Computing kpt #: 185 total cpu time spent up to now is 273.8 secs Computing kpt #: 186 total cpu time spent up to now is 275.0 secs Computing kpt #: 187 total cpu time spent up to now is 276.2 secs Computing kpt #: 188 total cpu time spent up to now is 277.4 secs Computing kpt #: 189 total cpu time spent up to now is 278.6 secs Computing kpt #: 190 total cpu time spent up to now is 279.7 secs Computing kpt #: 191 total cpu time spent up to now is 280.8 secs Computing kpt #: 192 total cpu time spent up to now is 281.9 secs Computing kpt #: 193 total cpu time spent up to now is 283.0 secs Computing kpt #: 194 total cpu time spent up to now is 284.1 secs Computing kpt #: 195 total cpu time spent up to now is 285.2 secs Computing kpt #: 196 total cpu time spent up to now is 286.3 secs Computing kpt #: 197 total cpu time spent up to now is 287.4 secs Computing kpt #: 198 total cpu time spent up to now is 288.4 secs Computing kpt #: 199 total cpu time spent up to now is 289.5 secs Computing kpt #: 200 total cpu time spent up to now is 290.4 secs Computing kpt #: 201 total cpu time spent up to now is 291.4 secs Computing kpt #: 202 total cpu time spent up to now is 292.4 secs Computing kpt #: 203 total cpu time spent up to now is 293.3 secs Computing kpt #: 204 total cpu time spent up to now is 294.2 secs Computing kpt #: 205 total cpu time spent up to now is 295.2 secs Computing kpt #: 206 total cpu time spent up to now is 296.0 secs Computing kpt #: 207 total cpu time spent up to now is 296.9 secs Computing kpt #: 208 total cpu time spent up to now is 297.8 secs Computing kpt #: 209 total cpu time spent up to now is 298.6 secs Computing kpt #: 210 total cpu time spent up to now is 299.6 secs Computing kpt #: 211 total cpu time spent up to now is 300.5 secs Computing kpt #: 212 total cpu time spent up to now is 301.4 secs Computing kpt #: 213 total cpu time spent up to now is 302.3 secs Computing kpt #: 214 total cpu time spent up to now is 303.2 secs Computing kpt #: 215 total cpu time spent up to now is 304.1 secs Computing kpt #: 216 total cpu time spent up to now is 305.1 secs Computing kpt #: 217 total cpu time spent up to now is 306.1 secs Computing kpt #: 218 total cpu time spent up to now is 307.0 secs Computing kpt #: 219 total cpu time spent up to now is 307.9 secs Computing kpt #: 220 total cpu time spent up to now is 308.8 secs Computing kpt #: 221 total cpu time spent up to now is 310.0 secs Computing kpt #: 222 total cpu time spent up to now is 311.1 secs Computing kpt #: 223 total cpu time spent up to now is 312.1 secs Computing kpt #: 224 total cpu time spent up to now is 313.5 secs Computing kpt #: 225 total cpu time spent up to now is 314.5 secs Computing kpt #: 226 total cpu time spent up to now is 315.4 secs Computing kpt #: 227 total cpu time spent up to now is 316.4 secs Computing kpt #: 228 total cpu time spent up to now is 317.5 secs Computing kpt #: 229 total cpu time spent up to now is 318.5 secs Computing kpt #: 230 total cpu time spent up to now is 319.5 secs Computing kpt #: 231 total cpu time spent up to now is 320.5 secs Computing kpt #: 232 total cpu time spent up to now is 321.5 secs Computing kpt #: 233 total cpu time spent up to now is 322.5 secs Computing kpt #: 234 total cpu time spent up to now is 323.6 secs Computing kpt #: 235 total cpu time spent up to now is 324.6 secs Computing kpt #: 236 total cpu time spent up to now is 325.7 secs Computing kpt #: 237 total cpu time spent up to now is 326.8 secs Computing kpt #: 238 total cpu time spent up to now is 327.9 secs Computing kpt #: 239 total cpu time spent up to now is 329.0 secs Computing kpt #: 240 total cpu time spent up to now is 330.2 secs Computing kpt #: 241 total cpu time spent up to now is 331.4 secs Computing kpt #: 242 total cpu time spent up to now is 332.6 secs Computing kpt #: 243 total cpu time spent up to now is 333.8 secs Computing kpt #: 244 total cpu time spent up to now is 335.1 secs Computing kpt #: 245 total cpu time spent up to now is 336.4 secs Computing kpt #: 246 total cpu time spent up to now is 337.9 secs Computing kpt #: 247 total cpu time spent up to now is 339.9 secs Computing kpt #: 248 total cpu time spent up to now is 342.2 secs Computing kpt #: 249 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 344.6 secs Computing kpt #: 250 total cpu time spent up to now is 345.9 secs Computing kpt #: 251 total cpu time spent up to now is 348.3 secs Computing kpt #: 252 total cpu time spent up to now is 350.3 secs Computing kpt #: 253 total cpu time spent up to now is 351.7 secs Computing kpt #: 254 total cpu time spent up to now is 353.2 secs Computing kpt #: 255 total cpu time spent up to now is 354.4 secs Computing kpt #: 256 total cpu time spent up to now is 355.6 secs Computing kpt #: 257 total cpu time spent up to now is 356.8 secs Computing kpt #: 258 total cpu time spent up to now is 358.0 secs Computing kpt #: 259 total cpu time spent up to now is 359.2 secs Computing kpt #: 260 total cpu time spent up to now is 360.4 secs Computing kpt #: 261 total cpu time spent up to now is 361.6 secs Computing kpt #: 262 total cpu time spent up to now is 362.7 secs Computing kpt #: 263 total cpu time spent up to now is 363.9 secs Computing kpt #: 264 total cpu time spent up to now is 365.0 secs Computing kpt #: 265 total cpu time spent up to now is 366.2 secs Computing kpt #: 266 total cpu time spent up to now is 367.4 secs Computing kpt #: 267 total cpu time spent up to now is 368.5 secs Computing kpt #: 268 total cpu time spent up to now is 369.5 secs Computing kpt #: 269 total cpu time spent up to now is 370.7 secs Computing kpt #: 270 total cpu time spent up to now is 371.8 secs Computing kpt #: 271 total cpu time spent up to now is 373.0 secs Computing kpt #: 272 total cpu time spent up to now is 374.1 secs Computing kpt #: 273 total cpu time spent up to now is 375.2 secs Computing kpt #: 274 total cpu time spent up to now is 376.4 secs Computing kpt #: 275 total cpu time spent up to now is 377.6 secs Computing kpt #: 276 total cpu time spent up to now is 379.6 secs Computing kpt #: 277 total cpu time spent up to now is 380.8 secs Computing kpt #: 278 total cpu time spent up to now is 381.9 secs Computing kpt #: 279 total cpu time spent up to now is 383.0 secs Computing kpt #: 280 total cpu time spent up to now is 384.2 secs Computing kpt #: 281 total cpu time spent up to now is 385.3 secs Computing kpt #: 282 total cpu time spent up to now is 386.4 secs Computing kpt #: 283 total cpu time spent up to now is 387.5 secs Computing kpt #: 284 total cpu time spent up to now is 388.7 secs Computing kpt #: 285 total cpu time spent up to now is 389.8 secs Computing kpt #: 286 total cpu time spent up to now is 390.9 secs Computing kpt #: 287 total cpu time spent up to now is 392.0 secs Computing kpt #: 288 total cpu time spent up to now is 393.2 secs Computing kpt #: 289 total cpu time spent up to now is 394.4 secs Computing kpt #: 290 total cpu time spent up to now is 395.6 secs Computing kpt #: 291 total cpu time spent up to now is 396.8 secs Computing kpt #: 292 total cpu time spent up to now is 398.0 secs Computing kpt #: 293 total cpu time spent up to now is 399.2 secs Computing kpt #: 294 total cpu time spent up to now is 400.4 secs Computing kpt #: 295 total cpu time spent up to now is 401.6 secs Computing kpt #: 296 total cpu time spent up to now is 402.8 secs Computing kpt #: 297 total cpu time spent up to now is 404.0 secs Computing kpt #: 298 total cpu time spent up to now is 405.2 secs Computing kpt #: 299 total cpu time spent up to now is 406.4 secs Computing kpt #: 300 total cpu time spent up to now is 407.7 secs Computing kpt #: 301 total cpu time spent up to now is 409.0 secs Computing kpt #: 302 total cpu time spent up to now is 410.3 secs Computing kpt #: 303 total cpu time spent up to now is 411.6 secs Computing kpt #: 304 total cpu time spent up to now is 412.9 secs Computing kpt #: 305 total cpu time spent up to now is 414.2 secs Computing kpt #: 306 total cpu time spent up to now is 415.5 secs Computing kpt #: 307 total cpu time spent up to now is 416.9 secs Computing kpt #: 308 total cpu time spent up to now is 418.2 secs Computing kpt #: 309 total cpu time spent up to now is 419.5 secs Computing kpt #: 310 total cpu time spent up to now is 420.8 secs Computing kpt #: 311 total cpu time spent up to now is 422.1 secs Computing kpt #: 312 total cpu time spent up to now is 423.4 secs Computing kpt #: 313 total cpu time spent up to now is 424.7 secs Computing kpt #: 314 total cpu time spent up to now is 426.0 secs Computing kpt #: 315 total cpu time spent up to now is 427.3 secs Computing kpt #: 316 total cpu time spent up to now is 428.6 secs Computing kpt #: 317 total cpu time spent up to now is 429.9 secs Computing kpt #: 318 total cpu time spent up to now is 431.1 secs Computing kpt #: 319 total cpu time spent up to now is 432.4 secs Computing kpt #: 320 total cpu time spent up to now is 433.6 secs Computing kpt #: 321 total cpu time spent up to now is 434.8 secs Computing kpt #: 322 total cpu time spent up to now is 436.1 secs Computing kpt #: 323 total cpu time spent up to now is 437.2 secs Computing kpt #: 324 total cpu time spent up to now is 438.3 secs Computing kpt #: 325 total cpu time spent up to now is 439.5 secs Computing kpt #: 326 total cpu time spent up to now is 440.6 secs Computing kpt #: 327 total cpu time spent up to now is 441.8 secs Computing kpt #: 328 total cpu time spent up to now is 443.0 secs Computing kpt #: 329 total cpu time spent up to now is 444.0 secs Computing kpt #: 330 total cpu time spent up to now is 445.1 secs Computing kpt #: 331 total cpu time spent up to now is 446.1 secs Computing kpt #: 332 total cpu time spent up to now is 447.2 secs Computing kpt #: 333 total cpu time spent up to now is 448.1 secs Computing kpt #: 334 total cpu time spent up to now is 449.2 secs Computing kpt #: 335 total cpu time spent up to now is 450.1 secs Computing kpt #: 336 total cpu time spent up to now is 450.9 secs Computing kpt #: 337 total cpu time spent up to now is 451.8 secs Computing kpt #: 338 total cpu time spent up to now is 452.7 secs Computing kpt #: 339 total cpu time spent up to now is 453.7 secs Computing kpt #: 340 total cpu time spent up to now is 454.7 secs Computing kpt #: 341 total cpu time spent up to now is 455.7 secs Computing kpt #: 342 total cpu time spent up to now is 456.8 secs Computing kpt #: 343 total cpu time spent up to now is 457.8 secs Computing kpt #: 344 total cpu time spent up to now is 458.9 secs Computing kpt #: 345 total cpu time spent up to now is 459.9 secs Computing kpt #: 346 total cpu time spent up to now is 461.1 secs Computing kpt #: 347 total cpu time spent up to now is 462.2 secs Computing kpt #: 348 total cpu time spent up to now is 463.3 secs Computing kpt #: 349 total cpu time spent up to now is 464.5 secs Computing kpt #: 350 total cpu time spent up to now is 465.6 secs Computing kpt #: 351 total cpu time spent up to now is 466.8 secs Computing kpt #: 352 total cpu time spent up to now is 468.1 secs Computing kpt #: 353 total cpu time spent up to now is 469.3 secs Computing kpt #: 354 total cpu time spent up to now is 470.5 secs Computing kpt #: 355 total cpu time spent up to now is 471.6 secs Computing kpt #: 356 total cpu time spent up to now is 472.9 secs Computing kpt #: 357 total cpu time spent up to now is 474.3 secs Computing kpt #: 358 total cpu time spent up to now is 475.7 secs Computing kpt #: 359 total cpu time spent up to now is 477.1 secs Computing kpt #: 360 total cpu time spent up to now is 478.6 secs Computing kpt #: 361 total cpu time spent up to now is 480.1 secs Computing kpt #: 362 total cpu time spent up to now is 481.7 secs Computing kpt #: 363 total cpu time spent up to now is 483.4 secs Computing kpt #: 364 total cpu time spent up to now is 485.5 secs Computing kpt #: 365 total cpu time spent up to now is 487.7 secs Computing kpt #: 366 total cpu time spent up to now is 489.9 secs Computing kpt #: 367 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 492.6 secs Computing kpt #: 368 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 495.3 secs Computing kpt #: 369 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 498.1 secs Computing kpt #: 370 total cpu time spent up to now is 499.3 secs ethr = 1.56E-08, avg # of iterations = 47.1 total cpu time spent up to now is 499.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3089 PWs) bands (ev): -18.0122 -18.0122 -15.7526 -15.7526 -15.7523 -15.7523 -12.5257 -12.5257 -12.4679 -12.4679 -12.4671 -12.4671 -12.3543 -12.3543 -12.2282 -12.2282 -8.8463 -8.8463 -5.0363 -5.0363 -5.0360 -5.0360 -3.5138 -3.5138 -3.1109 -3.1109 -3.1072 -3.1072 -2.1061 -2.1061 -1.9384 -1.9384 2.0069 2.0069 2.2569 2.2569 2.2613 2.2613 3.1433 3.1433 3.2921 3.2921 4.6810 4.6810 5.0934 5.0934 5.1152 5.1152 5.1168 5.1168 5.4985 5.4985 6.1910 6.1910 6.1944 6.1944 6.2641 6.2641 6.2908 6.2908 6.4275 6.4275 7.6432 7.6432 13.9636 13.9636 13.9650 13.9650 15.9769 15.9769 16.1018 16.1018 16.6516 16.6516 17.6144 17.6154 k = 0.0000 0.0128-0.0000 ( 3085 PWs) bands (ev): -18.0114 -18.0114 -15.7534 -15.7534 -15.7516 -15.7516 -12.5297 -12.5296 -12.4676 -12.4676 -12.4665 -12.4665 -12.3544 -12.3544 -12.2286 -12.2285 -8.8435 -8.8435 -5.0374 -5.0374 -5.0339 -5.0339 -3.5129 -3.5128 -3.1110 -3.1109 -3.1071 -3.1070 -2.1066 -2.1063 -1.9384 -1.9382 2.0039 2.0056 2.2556 2.2572 2.2609 2.2614 3.1453 3.1463 3.2925 3.2926 4.6797 4.6800 5.0921 5.0936 5.1170 5.1171 5.1179 5.1197 5.4976 5.4978 6.1903 6.1903 6.1944 6.1948 6.2612 6.2627 6.2887 6.2889 6.4278 6.4286 7.6420 7.6421 13.9652 13.9654 13.9668 13.9669 15.9772 15.9774 16.1016 16.1017 16.6513 16.6513 17.6140 17.6154 k = 0.0000 0.0256-0.0000 ( 3081 PWs) bands (ev): -18.0091 -18.0091 -15.7561 -15.7561 -15.7490 -15.7490 -12.5409 -12.5408 -12.4674 -12.4674 -12.4648 -12.4647 -12.3549 -12.3548 -12.2296 -12.2295 -8.8354 -8.8354 -5.0412 -5.0412 -5.0271 -5.0271 -3.5103 -3.5101 -3.1121 -3.1121 -3.1058 -3.1055 -2.1080 -2.1075 -1.9383 -1.9378 1.9968 2.0001 2.2521 2.2563 2.2616 2.2617 3.1520 3.1541 3.2939 3.2940 4.6759 4.6765 5.0905 5.0931 5.1216 5.1219 5.1237 5.1262 5.4952 5.4956 6.1858 6.1868 6.1969 6.1970 6.2536 6.2559 6.2838 6.2847 6.4293 6.4308 7.6384 7.6387 13.9699 13.9702 13.9726 13.9727 15.9783 15.9786 16.1011 16.1014 16.6502 16.6504 17.6121 17.6161 k = 0.0000 0.0385-0.0000 ( 3075 PWs) bands (ev): -18.0052 -18.0052 -15.7607 -15.7607 -15.7446 -15.7446 -12.5578 -12.5577 -12.4673 -12.4672 -12.4631 -12.4630 -12.3558 -12.3557 -12.2312 -12.2311 -8.8218 -8.8218 -5.0474 -5.0474 -5.0157 -5.0157 -3.5060 -3.5057 -3.1148 -3.1148 -3.1026 -3.1022 -2.1102 -2.1095 -1.9380 -1.9372 1.9858 1.9904 2.2465 2.2529 2.2631 2.2638 3.1631 3.1661 3.2961 3.2963 4.6700 4.6709 5.0897 5.0928 5.1286 5.1295 5.1329 5.1354 5.4912 5.4919 6.1782 6.1799 6.2013 6.2018 6.2391 6.2415 6.2781 6.2802 6.4320 6.4341 7.6327 7.6331 13.9774 13.9778 13.9825 13.9827 15.9800 15.9805 16.1006 16.1010 16.6485 16.6487 17.6094 17.6138 k = 0.0000 0.0513-0.0000 ( 3075 PWs) bands (ev): -17.9997 -17.9997 -15.7672 -15.7672 -15.7386 -15.7385 -12.5797 -12.5796 -12.4671 -12.4670 -12.4622 -12.4621 -12.3572 -12.3571 -12.2335 -12.2334 -8.8030 -8.8030 -5.0561 -5.0561 -5.0000 -4.9999 -3.5001 -3.4997 -3.1189 -3.1189 -3.0977 -3.0972 -2.1135 -2.1125 -1.9375 -1.9364 1.9711 1.9767 2.2396 2.2477 2.2658 2.2669 3.1781 3.1819 3.2992 3.2995 4.6622 4.6634 5.0899 5.0933 5.1378 5.1394 5.1446 5.1471 5.4858 5.4868 6.1680 6.1701 6.2062 6.2072 6.2181 6.2202 6.2730 6.2764 6.4356 6.4382 7.6246 7.6252 13.9877 13.9882 13.9966 13.9967 15.9822 15.9828 16.1000 16.1005 16.6461 16.6464 17.6024 17.6090 k = 0.0000 0.0641-0.0000 ( 3075 PWs) bands (ev): -17.9926 -17.9926 -15.7755 -15.7755 -15.7307 -15.7307 -12.6057 -12.6056 -12.4669 -12.4668 -12.4625 -12.4624 -12.3591 -12.3590 -12.2364 -12.2363 -8.7791 -8.7791 -5.0673 -5.0672 -4.9799 -4.9799 -3.4925 -3.4920 -3.1241 -3.1241 -3.0912 -3.0906 -2.1177 -2.1165 -1.9367 -1.9354 1.9530 1.9595 2.2319 2.2411 2.2695 2.2709 3.1963 3.2008 3.3031 3.3035 4.6531 4.6546 5.0913 5.0949 5.1487 5.1509 5.1586 5.1609 5.4793 5.4806 6.1551 6.1577 6.1853 6.1875 6.2172 6.2185 6.2685 6.2726 6.4398 6.4429 7.6143 7.6151 14.0008 14.0015 14.0145 14.0147 15.9846 15.9853 16.0997 16.1003 16.6430 16.6433 17.5993 17.6032 k = 0.0000 0.0769-0.0000 ( 3069 PWs) bands (ev): -17.9840 -17.9840 -15.7856 -15.7856 -15.7212 -15.7212 -12.6356 -12.6355 -12.4666 -12.4665 -12.4640 -12.4640 -12.3617 -12.3615 -12.2399 -12.2398 -8.7503 -8.7503 -5.0809 -5.0808 -4.9556 -4.9556 -3.4833 -3.4827 -3.1305 -3.1304 -3.0832 -3.0825 -2.1231 -2.1216 -1.9355 -1.9339 1.9321 1.9390 2.2238 2.2338 2.2738 2.2756 3.2168 3.2219 3.3078 3.3083 4.6431 4.6448 5.0939 5.0977 5.1607 5.1636 5.1747 5.1769 5.4716 5.4733 6.1384 6.1424 6.1494 6.1531 6.2266 6.2282 6.2642 6.2688 6.4446 6.4480 7.6019 7.6029 14.0166 14.0174 14.0363 14.0365 15.9869 15.9877 16.1001 16.1007 16.6391 16.6394 17.5871 17.5921 k = 0.0000 0.0897-0.0000 ( 3069 PWs) bands (ev): -17.9739 -17.9739 -15.7976 -15.7976 -15.7099 -15.7099 -12.6690 -12.6690 -12.4671 -12.4670 -12.4662 -12.4661 -12.3646 -12.3645 -12.2441 -12.2440 -8.7169 -8.7169 -5.0969 -5.0968 -4.9274 -4.9274 -3.4728 -3.4720 -3.1378 -3.1377 -3.0736 -3.0727 -2.1296 -2.1279 -1.9340 -1.9321 1.9088 1.9160 2.2156 2.2259 2.2789 2.2809 3.2389 3.2445 3.3132 3.3137 4.6325 4.6345 5.0977 5.1016 5.1728 5.1765 5.1929 5.1948 5.4632 5.4654 6.1047 6.1053 6.1271 6.1276 6.2376 6.2396 6.2601 6.2647 6.4496 6.4532 7.5874 7.5885 14.0350 14.0359 14.0618 14.0620 15.9888 15.9896 16.1015 16.1020 16.6343 16.6347 17.5773 17.5828 k = 0.0000 0.1026-0.0000 ( 3069 PWs) bands (ev): -17.9622 -17.9622 -15.8115 -15.8115 -15.6969 -15.6969 -12.7057 -12.7057 -12.4713 -12.4713 -12.4659 -12.4658 -12.3679 -12.3677 -12.2488 -12.2487 -8.6791 -8.6791 -5.1154 -5.1153 -4.8953 -4.8953 -3.4609 -3.4600 -3.1460 -3.1459 -3.0623 -3.0613 -2.1375 -2.1355 -1.9320 -1.9299 1.8839 1.8910 2.2074 2.2178 2.2845 2.2868 3.2620 3.2680 3.3191 3.3198 4.6217 4.6240 5.1026 5.1066 5.1845 5.1890 5.2130 5.2147 5.4542 5.4569 6.0571 6.0575 6.1086 6.1089 6.2483 6.2513 6.2573 6.2613 6.4547 6.4585 7.5708 7.5721 14.0559 14.0569 14.0908 14.0911 15.9900 15.9907 16.1044 16.1048 16.6287 16.6291 17.5661 17.5710 k = 0.0000 0.1154-0.0000 ( 3073 PWs) bands (ev): -17.9490 -17.9490 -15.8272 -15.8272 -15.6823 -15.6822 -12.7456 -12.7455 -12.4770 -12.4770 -12.4656 -12.4654 -12.3712 -12.3711 -12.2542 -12.2540 -8.6372 -8.6372 -5.1362 -5.1360 -4.8597 -4.8597 -3.4478 -3.4468 -3.1550 -3.1549 -3.0494 -3.0482 -2.1466 -2.1445 -1.9296 -1.9274 1.8578 1.8648 2.1994 2.2096 2.2906 2.2931 3.2851 3.2915 3.3256 3.3264 4.6110 4.6136 5.1086 5.1127 5.1947 5.2001 5.2350 5.2365 5.4449 5.4483 6.0043 6.0049 6.0892 6.0894 6.2486 6.2533 6.2659 6.2684 6.4599 6.4639 7.5523 7.5538 14.0792 14.0803 14.1234 14.1237 15.9900 15.9906 16.1092 16.1095 16.6221 16.6225 17.5537 17.5591 k = 0.0000 0.1282-0.0000 ( 3053 PWs) bands (ev): -17.9342 -17.9342 -15.8447 -15.8447 -15.6658 -15.6658 -12.7882 -12.7882 -12.4841 -12.4840 -12.4652 -12.4651 -12.3745 -12.3743 -12.2600 -12.2598 -8.5915 -8.5915 -5.1593 -5.1591 -4.8207 -4.8207 -3.4337 -3.4326 -3.1647 -3.1646 -3.0346 -3.0333 -2.1571 -2.1547 -1.9269 -1.9244 1.8312 1.8380 2.1917 2.2016 2.2970 2.2998 3.3077 3.3144 3.3328 3.3337 4.6008 4.6036 5.1157 5.1198 5.2024 5.2087 5.2587 5.2600 5.4355 5.4397 5.9481 5.9489 6.0688 6.0688 6.2439 6.2485 6.2801 6.2829 6.4651 6.4692 7.5321 7.5337 14.1047 14.1060 14.1593 14.1596 15.9888 15.9892 16.1164 16.1165 16.6145 16.6150 17.5403 17.5462 k = 0.0000 0.1410-0.0000 ( 3053 PWs) bands (ev): -17.9180 -17.9180 -15.8641 -15.8641 -15.6477 -15.6477 -12.8335 -12.8335 -12.4925 -12.4924 -12.4649 -12.4648 -12.3774 -12.3772 -12.2664 -12.2662 -8.5423 -8.5422 -5.1847 -5.1846 -4.7787 -4.7786 -3.4187 -3.4174 -3.1750 -3.1750 -3.0181 -3.0166 -2.1689 -2.1664 -1.9237 -1.9211 1.8047 1.8112 2.1843 2.1937 2.3036 2.3066 3.3282 3.3343 3.3423 3.3425 4.5911 4.5942 5.1237 5.1278 5.2065 5.2136 5.2839 5.2851 5.4263 5.4311 5.8900 5.8908 6.0472 6.0475 6.2384 6.2429 6.2956 6.2987 6.4703 6.4745 7.5101 7.5119 14.1323 14.1336 14.1983 14.1986 15.9863 15.9865 16.1257 16.1261 16.6058 16.6063 17.5260 17.5319 k = 0.0000 0.1538-0.0000 ( 3053 PWs) bands (ev): -17.9002 -17.9002 -15.8853 -15.8853 -15.6280 -15.6279 -12.8812 -12.8812 -12.5021 -12.5020 -12.4647 -12.4645 -12.3801 -12.3799 -12.2732 -12.2730 -8.4898 -8.4898 -5.2124 -5.2122 -4.7338 -4.7338 -3.4029 -3.4015 -3.1859 -3.1858 -2.9996 -2.9980 -2.1820 -2.1794 -1.9203 -1.9176 1.7788 1.7850 2.1772 2.1862 2.3103 2.3136 3.3425 3.3447 3.3563 3.3601 4.5822 4.5856 5.1324 5.1366 5.2057 5.2134 5.3106 5.3116 5.4168 5.4221 5.8320 5.8329 6.0250 6.0255 6.2324 6.2367 6.3118 6.3152 6.4756 6.4798 7.4865 7.4886 14.1619 14.1633 14.2402 14.2406 15.9826 15.9826 16.1376 16.1382 16.5960 16.5964 17.5109 17.5169 k = 0.0000 0.1667-0.0000 ( 3055 PWs) bands (ev): -17.8810 -17.8810 -15.9083 -15.9083 -15.6065 -15.6064 -12.9312 -12.9312 -12.5127 -12.5125 -12.4645 -12.4642 -12.3824 -12.3821 -12.2805 -12.2802 -8.4344 -8.4344 -5.2422 -5.2421 -4.6865 -4.6864 -3.3865 -3.3850 -3.1972 -3.1971 -2.9792 -2.9775 -2.1965 -2.1937 -1.9168 -1.9138 1.7541 1.7600 2.1705 2.1791 2.3170 2.3205 3.3512 3.3521 3.3742 3.3794 4.5741 4.5778 5.1419 5.1459 5.1986 5.2065 5.3385 5.3393 5.4064 5.4118 5.7769 5.7779 6.0023 6.0031 6.2260 6.2301 6.3284 6.3322 6.4810 6.4853 7.4615 7.4638 14.1932 14.1947 14.2850 14.2853 15.9777 15.9779 16.1521 16.1531 16.5848 16.5853 17.4950 17.5012 k = 0.0000 0.1795-0.0000 ( 3053 PWs) bands (ev): -17.8603 -17.8603 -15.9332 -15.9331 -15.5833 -15.5833 -12.9832 -12.9832 -12.5240 -12.5238 -12.4643 -12.4641 -12.3842 -12.3840 -12.2881 -12.2879 -8.3763 -8.3763 -5.2743 -5.2741 -4.6369 -4.6368 -3.3696 -3.3680 -3.2088 -3.2087 -2.9569 -2.9550 -2.2122 -2.2094 -1.9131 -1.9100 1.7310 1.7366 2.1644 2.1724 2.3235 2.3272 3.3585 3.3589 3.3916 3.3972 4.5670 4.5709 5.1517 5.1553 5.1840 5.1912 5.3673 5.3681 5.3939 5.3989 5.7282 5.7294 5.9792 5.9804 6.2192 6.2232 6.3455 6.3496 6.4865 6.4909 7.4353 7.4377 14.2263 14.2279 14.3323 14.3327 15.9720 15.9724 16.1694 16.1706 16.5722 16.5727 17.4784 17.4847 k = 0.0000 0.1923-0.0000 ( 3053 PWs) bands (ev): -17.8382 -17.8382 -15.9597 -15.9597 -15.5585 -15.5585 -13.0371 -13.0370 -12.5358 -12.5356 -12.4644 -12.4641 -12.3858 -12.3855 -12.2961 -12.2958 -8.3158 -8.3158 -5.3085 -5.3083 -4.5854 -4.5853 -3.3524 -3.3507 -3.2206 -3.2205 -2.9326 -2.9305 -2.2292 -2.2262 -1.9094 -1.9062 1.7100 1.7153 2.1588 2.1664 2.3297 2.3337 3.3649 3.3653 3.4074 3.4132 4.5608 4.5649 5.1551 5.1608 5.1663 5.1693 5.3780 5.3817 5.3972 5.3977 5.6897 5.6910 5.9561 5.9576 6.2121 6.2160 6.3626 6.3671 6.4924 6.4968 7.4079 7.4106 14.2610 14.2627 14.3820 14.3824 15.9657 15.9663 16.1895 16.1909 16.5581 16.5585 17.4614 17.4677 k = 0.0000 0.2051-0.0000 ( 3051 PWs) bands (ev): -17.8146 -17.8146 -15.9880 -15.9880 -15.5321 -15.5320 -13.0927 -13.0926 -12.5479 -12.5477 -12.4646 -12.4643 -12.3870 -12.3868 -12.3044 -12.3040 -8.2532 -8.2532 -5.3447 -5.3446 -4.5323 -4.5323 -3.3350 -3.3331 -3.2327 -3.2325 -2.9063 -2.9041 -2.2473 -2.2443 -1.9058 -1.9026 1.6915 1.6965 2.1539 2.1610 2.3355 2.3397 3.3706 3.3709 3.4214 3.4272 4.5553 4.5597 5.1205 5.1271 5.1721 5.1772 5.3592 5.3615 5.4271 5.4277 5.6635 5.6651 5.9333 5.9351 6.2048 6.2085 6.3797 6.3846 6.4987 6.5032 7.3795 7.3825 14.2971 14.2989 14.4338 14.4342 15.9589 15.9596 16.2124 16.2141 16.5424 16.5428 17.4439 17.4502 k = 0.0000 0.2179-0.0000 ( 3043 PWs) bands (ev): -17.7897 -17.7897 -16.0180 -16.0180 -15.5040 -15.5039 -13.1497 -13.1496 -12.5600 -12.5598 -12.4650 -12.4647 -12.3880 -12.3878 -12.3128 -12.3124 -8.1887 -8.1887 -5.3830 -5.3829 -4.4780 -4.4779 -3.3174 -3.3155 -3.2447 -3.2446 -2.8781 -2.8758 -2.2666 -2.2635 -1.9025 -1.8991 1.6758 1.6806 2.1497 2.1564 2.3407 2.3451 3.3754 3.3757 3.4336 3.4394 4.5504 4.5549 5.0713 5.0761 5.1817 5.1866 5.3394 5.3399 5.4571 5.4578 5.6493 5.6512 5.9110 5.9132 6.1971 6.2007 6.3966 6.4019 6.5055 6.5101 7.3505 7.3537 14.3348 14.3366 14.4875 14.4879 15.9517 15.9525 16.2384 16.2403 16.5249 16.5252 17.4263 17.4325 k = 0.0000 0.2308-0.0000 ( 3043 PWs) bands (ev): -17.7633 -17.7633 -16.0497 -16.0496 -15.4743 -15.4742 -13.2081 -13.2080 -12.5719 -12.5717 -12.4657 -12.4654 -12.3888 -12.3885 -12.3213 -12.3209 -8.1226 -8.1225 -5.4232 -5.4231 -4.4227 -4.4227 -3.2998 -3.2977 -3.2568 -3.2566 -2.8481 -2.8456 -2.2869 -2.2838 -1.8995 -1.8961 1.6633 1.6679 2.1464 2.1526 2.3453 2.3498 3.3791 3.3794 3.4438 3.4495 4.5454 4.5501 5.0104 5.0137 5.1907 5.1955 5.3194 5.3204 5.4867 5.4874 5.6449 5.6469 5.8899 5.8925 6.1893 6.1928 6.4132 6.4188 6.5129 6.5176 7.3208 7.3244 14.3738 14.3757 14.5428 14.5433 15.9442 15.9451 16.2674 16.2695 16.5055 16.5056 17.4086 17.4147 k = 0.0000 0.2436-0.0000 ( 3045 PWs) bands (ev): -17.7356 -17.7356 -16.0829 -16.0828 -15.4430 -15.4429 -13.2677 -13.2676 -12.5834 -12.5831 -12.4668 -12.4664 -12.3894 -12.3892 -12.3299 -12.3294 -8.0550 -8.0549 -5.4654 -5.4653 -4.3668 -4.3668 -3.2822 -3.2801 -3.2688 -3.2685 -2.8164 -2.8137 -2.3083 -2.3051 -1.8970 -1.8935 1.6543 1.6587 2.1439 2.1498 2.3491 2.3537 3.3814 3.3818 3.4522 3.4579 4.5393 4.5440 4.9411 4.9431 5.1987 5.2035 5.3014 5.3035 5.5150 5.5158 5.6473 5.6493 5.8704 5.8735 6.1812 6.1847 6.4291 6.4352 6.5211 6.5259 7.2906 7.2946 14.4142 14.4162 14.5996 14.6000 15.9364 15.9374 16.2995 16.3018 16.4840 16.4840 17.3910 17.3969 k = 0.0000 0.2564-0.0000 ( 3037 PWs) bands (ev): -17.7066 -17.7066 -16.1176 -16.1176 -15.4101 -15.4100 -13.3283 -13.3282 -12.5943 -12.5941 -12.4684 -12.4680 -12.3899 -12.3896 -12.3383 -12.3378 -7.9861 -7.9861 -5.5094 -5.5093 -4.3106 -4.3106 -3.2808 -3.2808 -3.2645 -3.2620 -2.7830 -2.7803 -2.3306 -2.3274 -1.8950 -1.8914 1.6490 1.6533 2.1425 2.1481 2.3520 2.3568 3.3821 3.3826 3.4589 3.4646 4.5299 4.5345 4.8685 4.8693 5.2054 5.2101 5.2860 5.2889 5.5410 5.5421 5.6544 5.6563 5.8537 5.8573 6.1732 6.1766 6.4443 6.4509 6.5301 6.5350 7.2603 7.2646 14.4560 14.4580 14.6574 14.6579 15.9284 15.9294 16.3349 16.3373 16.4602 16.4603 17.3739 17.3795 k = 0.0000 0.2692-0.0000 ( 3037 PWs) bands (ev): -17.6762 -17.6762 -16.1538 -16.1538 -15.3756 -15.3756 -13.3899 -13.3897 -12.6045 -12.6043 -12.4706 -12.4701 -12.3903 -12.3900 -12.3464 -12.3458 -7.9162 -7.9162 -5.5552 -5.5551 -4.2544 -4.2544 -3.2926 -3.2925 -3.2468 -3.2443 -2.7482 -2.7454 -2.3539 -2.3506 -1.8938 -1.8901 1.6477 1.6519 2.1421 2.1474 2.3539 2.3588 3.3810 3.3815 3.4641 3.4697 4.5131 4.5171 4.7989 4.7995 5.2105 5.2151 5.2731 5.2765 5.5634 5.5647 5.6644 5.6662 5.8410 5.8451 6.1651 6.1685 6.4586 6.4657 6.5399 6.5449 7.2299 7.2345 14.4991 14.5012 14.7161 14.7167 15.9200 15.9211 16.3733 16.3758 16.4340 16.4343 17.3572 17.3626 k = 0.0000 0.2821-0.0000 ( 3033 PWs) bands (ev): -17.6446 -17.6446 -16.1914 -16.1913 -15.3396 -15.3396 -13.4521 -13.4520 -12.6139 -12.6136 -12.4734 -12.4729 -12.3905 -12.3903 -12.3541 -12.3535 -7.8454 -7.8454 -5.6028 -5.6027 -4.1986 -4.1985 -3.3042 -3.3041 -3.2291 -3.2265 -2.7122 -2.7092 -2.3780 -2.3746 -1.8933 -1.8896 1.6505 1.6547 2.1430 2.1480 2.3547 2.3598 3.3776 3.3782 3.4680 3.4734 4.4819 4.4848 4.7409 4.7430 5.2136 5.2182 5.2625 5.2661 5.5805 5.5821 5.6763 5.6780 5.8340 5.8385 6.1572 6.1607 6.4718 6.4793 6.5508 6.5558 7.1995 7.2046 14.5437 14.5458 14.7754 14.7760 15.9113 15.9124 16.4053 16.4057 16.4149 16.4175 17.3414 17.3465 k = 0.0000 0.2949-0.0000 ( 3037 PWs) bands (ev): -17.6117 -17.6117 -16.2302 -16.2302 -15.3021 -15.3020 -13.5150 -13.5149 -12.6223 -12.6221 -12.4770 -12.4764 -12.3908 -12.3905 -12.3612 -12.3606 -7.7739 -7.7739 -5.6521 -5.6520 -4.1434 -4.1433 -3.3156 -3.3156 -3.2113 -3.2086 -2.6750 -2.6719 -2.4028 -2.3995 -1.8937 -1.8900 1.6577 1.6619 2.1451 2.1500 2.3545 2.3596 3.3716 3.3723 3.4707 3.4761 4.4298 4.4315 4.7030 4.7069 5.2145 5.2191 5.2540 5.2577 5.5906 5.5924 5.6893 5.6909 5.8341 5.8389 6.1497 6.1533 6.4837 6.4917 6.5625 6.5677 7.1695 7.1750 14.5896 14.5918 14.8350 14.8355 15.9022 15.9034 16.3739 16.3746 16.4593 16.4621 17.3267 17.3314 k = 0.0000 0.3077-0.0000 ( 3037 PWs) bands (ev): -17.5776 -17.5776 -16.2703 -16.2703 -15.2631 -15.2630 -13.5784 -13.5783 -12.6297 -12.6295 -12.4815 -12.4809 -12.3910 -12.3907 -12.3677 -12.3671 -7.7018 -7.7018 -5.7030 -5.7029 -4.0891 -4.0890 -3.3269 -3.3268 -3.1933 -3.1907 -2.6369 -2.6338 -2.4285 -2.4251 -1.8952 -1.8914 1.6694 1.6735 2.1486 2.1533 2.3531 2.3583 3.3625 3.3632 3.4724 3.4778 4.3588 4.3596 4.6849 4.6900 5.2131 5.2176 5.2475 5.2512 5.5932 5.5949 5.7030 5.7044 5.8418 5.8466 6.1428 6.1466 6.4940 6.5027 6.5752 6.5806 7.1398 7.1459 14.6371 14.6392 14.8945 14.8951 15.8927 15.8939 16.3398 16.3408 16.5066 16.5096 17.3132 17.3176 k = 0.0000 0.3205-0.0000 ( 3036 PWs) bands (ev): -17.5424 -17.5424 -16.3116 -16.3115 -15.2225 -15.2225 -13.6421 -13.6420 -12.6361 -12.6358 -12.4869 -12.4863 -12.3911 -12.3908 -12.3734 -12.3727 -7.6292 -7.6292 -5.7555 -5.7554 -4.0360 -4.0360 -3.3380 -3.3379 -3.1752 -3.1725 -2.5982 -2.5950 -2.4548 -2.4514 -1.8978 -1.8939 1.6856 1.6898 2.1536 2.1582 2.3504 2.3557 3.3498 3.3505 3.4735 3.4787 4.2766 4.2769 4.6803 4.6861 5.2092 5.2137 5.2429 5.2465 5.5889 5.5905 5.7170 5.7183 5.8559 5.8605 6.1369 6.1410 6.5027 6.5119 6.5888 6.5943 7.1108 7.1173 14.6860 14.6882 14.9538 14.9544 15.8827 15.8839 16.3029 16.3041 16.5566 16.5597 17.3013 17.3052 k = 0.0000 0.3333-0.0000 ( 3044 PWs) bands (ev): -17.5060 -17.5060 -16.3538 -16.3538 -15.1806 -15.1805 -13.7061 -13.7060 -12.6413 -12.6411 -12.4933 -12.4927 -12.3912 -12.3910 -12.3782 -12.3775 -7.5564 -7.5564 -5.8094 -5.8093 -3.9845 -3.9844 -3.3490 -3.3489 -3.1568 -3.1540 -2.5590 -2.5557 -2.4817 -2.4783 -1.9016 -1.8977 1.7063 1.7106 2.1602 2.1647 2.3465 2.3518 3.3329 3.3335 3.4740 3.4792 4.1896 4.1896 4.6838 4.6900 5.2027 5.2072 5.2402 5.2437 5.5793 5.5807 5.7312 5.7324 5.8742 5.8784 6.1326 6.1370 6.5095 6.5193 6.6031 6.6088 7.0824 7.0895 14.7365 14.7386 15.0124 15.0131 15.8721 15.8733 16.2631 16.2645 16.6089 16.6121 17.2911 17.2945 k = 0.0000 0.3462-0.0000 ( 3040 PWs) bands (ev): -17.4685 -17.4685 -16.3970 -16.3970 -15.1372 -15.1371 -13.7703 -13.7701 -12.6454 -12.6451 -12.5006 -12.5000 -12.3914 -12.3911 -12.3822 -12.3815 -7.4833 -7.4833 -5.8649 -5.8648 -3.9346 -3.9345 -3.3599 -3.3598 -3.1381 -3.1352 -2.5197 -2.5163 -2.5091 -2.5056 -1.9067 -1.9028 1.7314 1.7359 2.1686 2.1731 2.3413 2.3467 3.3108 3.3113 3.4744 3.4795 4.1020 4.1023 4.6924 4.6989 5.1937 5.1982 5.2394 5.2427 5.5662 5.5674 5.7454 5.7464 5.8941 5.8978 6.1305 6.1355 6.5143 6.5246 6.6182 6.6241 7.0550 7.0626 14.7885 14.7907 15.0702 15.0709 15.8609 15.8621 16.2204 16.2222 16.6634 16.6668 17.2827 17.2857 k = 0.0000 0.3590-0.0000 ( 3042 PWs) bands (ev): -17.4300 -17.4300 -16.4410 -16.4410 -15.0923 -15.0923 -13.8344 -13.8343 -12.6483 -12.6481 -12.5087 -12.5081 -12.3915 -12.3912 -12.3854 -12.3848 -7.4101 -7.4101 -5.9217 -5.9216 -3.8867 -3.8866 -3.3707 -3.3706 -3.1188 -3.1159 -2.5372 -2.5338 -2.4801 -2.4766 -1.9133 -1.9094 1.7609 1.7656 2.1789 2.1834 2.3348 2.3402 3.2828 3.2831 3.4747 3.4798 4.0171 4.0178 4.7046 4.7113 5.1821 5.1868 5.2404 5.2436 5.5508 5.5518 5.7595 5.7603 5.9132 5.9162 6.1317 6.1374 6.5167 6.5276 6.6339 6.6399 7.0286 7.0367 14.8421 14.8442 15.1267 15.1275 15.8489 15.8502 16.1749 16.1770 16.7196 16.7231 17.2763 17.2788 k = 0.0000 0.3718-0.0000 ( 3042 PWs) bands (ev): -17.3905 -17.3905 -16.4858 -16.4858 -15.0462 -15.0461 -13.8985 -13.8984 -12.6501 -12.6498 -12.5174 -12.5168 -12.3916 -12.3913 -12.3879 -12.3873 -7.3370 -7.3370 -5.9798 -5.9798 -3.8410 -3.8409 -3.3816 -3.3815 -3.0991 -3.0961 -2.5657 -2.5622 -2.4408 -2.4373 -1.9214 -1.9174 1.7943 1.7993 2.1914 2.1961 2.3269 2.3324 3.2479 3.2479 3.4752 3.4802 3.9372 3.9382 4.7195 4.7263 5.1682 5.1729 5.2433 5.2463 5.5340 5.5349 5.7734 5.7741 5.9294 5.9317 6.1373 6.1438 6.5168 6.5281 6.6500 6.6563 7.0033 7.0119 14.8972 14.8993 15.1818 15.1826 15.8361 15.8374 16.1267 16.1290 16.7770 16.7807 17.2719 17.2738 k = 0.0000 0.3846-0.0000 ( 3050 PWs) bands (ev): -17.3500 -17.3500 -16.5312 -16.5312 -14.9986 -14.9985 -13.9625 -13.9623 -12.6508 -12.6505 -12.5267 -12.5261 -12.3918 -12.3915 -12.3898 -12.3893 -7.2639 -7.2639 -6.0393 -6.0392 -3.7976 -3.7975 -3.3927 -3.3926 -3.0787 -3.0756 -2.5945 -2.5910 -2.4019 -2.3983 -1.9311 -1.9271 1.8314 1.8367 2.2064 2.2113 2.3178 2.3233 3.2047 3.2052 3.4761 3.4811 3.8642 3.8655 4.7366 4.7434 5.1520 5.1569 5.2480 5.2508 5.5163 5.5171 5.7870 5.7877 5.9411 5.9427 6.1482 6.1555 6.5142 6.5259 6.6665 6.6729 6.9793 6.9883 14.9538 14.9559 15.2350 15.2359 15.8223 15.8237 16.0759 16.0785 16.8353 16.8391 17.2694 17.2708 k = 0.0000 0.3974-0.0000 ( 3048 PWs) bands (ev): -17.3086 -17.3086 -16.5771 -16.5771 -14.9498 -14.9497 -14.0261 -14.0260 -12.6503 -12.6500 -12.5363 -12.5358 -12.3919 -12.3916 -12.3913 -12.3907 -7.1910 -7.1910 -6.0999 -6.0998 -3.7567 -3.7566 -3.4039 -3.4039 -3.0575 -3.0544 -2.6236 -2.6201 -2.3636 -2.3600 -1.9424 -1.9384 1.8715 1.8772 2.2244 2.2295 2.3073 2.3128 3.1533 3.1542 3.4776 3.4825 3.7993 3.8011 4.7555 4.7623 5.1338 5.1388 5.2544 5.2571 5.4981 5.4989 5.8005 5.8010 5.9478 5.9488 6.1644 6.1725 6.5089 6.5210 6.6831 6.6898 6.9565 6.9659 15.0119 15.0138 15.2862 15.2871 15.8074 15.8089 16.0227 16.0256 16.8937 16.8977 17.2688 17.2696 k = 0.0000 0.4103-0.0000 ( 3060 PWs) bands (ev): -17.2664 -17.2664 -16.6235 -16.6235 -14.8997 -14.8996 -14.0895 -14.0893 -12.6488 -12.6485 -12.5462 -12.5457 -12.3923 -12.3921 -12.3918 -12.3917 -7.1183 -7.1183 -6.1617 -6.1617 -3.7183 -3.7183 -3.4156 -3.4155 -3.0355 -3.0324 -2.6529 -2.6495 -2.3261 -2.3224 -1.9555 -1.9515 1.9136 1.9199 2.2461 2.2515 2.2955 2.3011 3.0938 3.0952 3.4799 3.4848 3.7431 3.7454 4.7759 4.7827 5.1139 5.1190 5.2624 5.2649 5.4797 5.4805 5.8136 5.8141 5.9497 5.9503 6.1852 6.1939 6.5008 6.5132 6.6998 6.7068 6.9351 6.9448 15.0712 15.0731 15.3349 15.3360 15.7914 15.7930 15.9673 15.9706 16.9515 16.9556 17.2696 17.2699 k = 0.0000 0.4231-0.0000 ( 3056 PWs) bands (ev): -17.2233 -17.2233 -16.6702 -16.6702 -14.8483 -14.8482 -14.1524 -14.1522 -12.6462 -12.6459 -12.5562 -12.5557 -12.3930 -12.3925 -12.3923 -12.3920 -7.0460 -7.0460 -6.2246 -6.2246 -3.6827 -3.6826 -3.4278 -3.4277 -3.0127 -3.0095 -2.6825 -2.6790 -2.2896 -2.2858 -1.9704 -1.9664 1.9568 1.9636 2.2724 2.2771 2.2833 2.2880 3.0272 3.0291 3.4833 3.4881 3.6955 3.6982 4.7976 4.8044 5.0924 5.0977 5.2719 5.2743 5.4612 5.4621 5.8266 5.8270 5.9478 5.9481 6.2095 6.2187 6.4899 6.5025 6.7165 6.7237 6.9149 6.9248 15.1317 15.1335 15.3810 15.3823 15.7742 15.7759 15.9103 15.9139 17.0077 17.0120 17.2712 17.2714 k = 0.0000 0.4359-0.0000 ( 3056 PWs) bands (ev): -17.1796 -17.1795 -16.7171 -16.7171 -14.7957 -14.7956 -14.2148 -14.2146 -12.6426 -12.6423 -12.5661 -12.5657 -12.3934 -12.3930 -12.3925 -12.3921 -6.9740 -6.9740 -6.2886 -6.2885 -3.6496 -3.6496 -3.4406 -3.4406 -2.9889 -2.9857 -2.7120 -2.7086 -2.2541 -2.2504 -1.9871 -1.9831 1.9996 2.0069 2.2675 2.2735 2.3045 2.3108 2.9550 2.9575 3.4878 3.4926 3.6556 3.6587 4.8204 4.8272 5.0696 5.0751 5.2829 5.2851 5.4428 5.4437 5.8393 5.8396 5.9431 5.9433 6.2360 6.2456 6.4763 6.4889 6.7330 6.7405 6.8960 6.9060 15.1932 15.1947 15.4239 15.4255 15.7556 15.7574 15.8519 15.8561 17.0614 17.0658 17.2728 17.2737 k = 0.0000 0.4487-0.0000 ( 3062 PWs) bands (ev): -17.1351 -17.1351 -16.7642 -16.7642 -14.7420 -14.7419 -14.2766 -14.2764 -12.6380 -12.6377 -12.5759 -12.5755 -12.3937 -12.3932 -12.3927 -12.3924 -6.9025 -6.9025 -6.3535 -6.3535 -3.6192 -3.6192 -3.4544 -3.4543 -2.9643 -2.9610 -2.7416 -2.7381 -2.2200 -2.2162 -2.0057 -2.0016 2.0406 2.0482 2.2515 2.2576 2.3434 2.3498 2.8792 2.8821 3.4937 3.4984 3.6223 3.6258 4.8442 4.8508 5.0458 5.0514 5.2951 5.2971 5.4245 5.4254 5.8517 5.8519 5.9364 5.9365 6.2637 6.2737 6.4601 6.4726 6.7493 6.7571 6.8780 6.8880 15.2553 15.2566 15.4630 15.4650 15.7356 15.7376 15.7932 15.7980 17.1111 17.1156 17.2738 17.2753 k = 0.0000 0.4615-0.0000 ( 3058 PWs) bands (ev): -17.0901 -17.0901 -16.8113 -16.8113 -14.6872 -14.6871 -14.3377 -14.3376 -12.6326 -12.6323 -12.5855 -12.5851 -12.3938 -12.3933 -12.3929 -12.3926 -6.8315 -6.8315 -6.4194 -6.4194 -3.5914 -3.5913 -3.4691 -3.4691 -2.9387 -2.9354 -2.7710 -2.7675 -2.1873 -2.1834 -2.0261 -2.0221 2.0784 2.0862 2.2339 2.2402 2.3901 2.3964 2.8016 2.8050 3.5013 3.5058 3.5946 3.5983 4.8686 4.8752 5.0212 5.0270 5.3085 5.3104 5.4064 5.4074 5.8638 5.8640 5.9282 5.9282 6.2917 6.3021 6.4414 6.4538 6.7654 6.7736 6.8610 6.8708 15.3177 15.3186 15.4966 15.4994 15.7143 15.7167 15.7357 15.7414 17.1556 17.1600 17.2732 17.2752 k = 0.0000 0.4744-0.0000 ( 3070 PWs) bands (ev): -17.0445 -17.0445 -16.8584 -16.8584 -14.6313 -14.6312 -14.3981 -14.3980 -12.6264 -12.6261 -12.5947 -12.5943 -12.3938 -12.3934 -12.3931 -12.3928 -6.7611 -6.7611 -6.4862 -6.4862 -3.5660 -3.5659 -3.4851 -3.4851 -2.9123 -2.9090 -2.8002 -2.7967 -2.1561 -2.1522 -2.0484 -2.0445 2.1125 2.1201 2.2146 2.2211 2.4448 2.4508 2.7239 2.7278 3.5105 3.5151 3.5713 3.5753 4.8937 4.9002 4.9960 5.0020 5.3230 5.3247 5.3886 5.3898 5.8756 5.8758 5.9189 5.9190 6.3195 6.3303 6.4204 6.4326 6.7813 6.7898 6.8445 6.8541 15.3795 15.3799 15.5202 15.5242 15.6841 15.6910 15.6921 15.6950 17.1933 17.1977 17.2693 17.2719 k = 0.0000 0.4872-0.0000 ( 3066 PWs) bands (ev): -16.9985 -16.9985 -16.9053 -16.9053 -14.5744 -14.5743 -14.4578 -14.4576 -12.6194 -12.6191 -12.6035 -12.6031 -12.3937 -12.3933 -12.3933 -12.3930 -6.6913 -6.6913 -6.5538 -6.5538 -3.5429 -3.5428 -3.5026 -3.5026 -2.8852 -2.8818 -2.8290 -2.8256 -2.1265 -2.1226 -2.0726 -2.0687 2.1427 2.1501 2.1932 2.2000 2.5068 2.5123 2.6478 2.6523 3.5219 3.5263 3.5519 3.5560 4.9191 4.9255 4.9705 4.9766 5.3383 5.3399 5.3713 5.3726 5.8871 5.8872 5.9089 5.9089 6.3467 6.3579 6.3975 6.4093 6.7971 6.8059 6.8285 6.8379 15.4387 15.4393 15.5218 15.5261 15.6520 15.6595 15.6701 15.6740 17.2235 17.2276 17.2607 17.2639 k = 0.0000 0.5000-0.0000 ( 3064 PWs) bands (ev): -16.9521 -16.9521 -16.9521 -16.9521 -14.5165 -14.5165 -14.5164 -14.5164 -12.6118 -12.6118 -12.6114 -12.6114 -12.3935 -12.3935 -12.3931 -12.3931 -6.6222 -6.6222 -6.6222 -6.6222 -3.5218 -3.5218 -3.5217 -3.5217 -2.8574 -2.8574 -2.8540 -2.8540 -2.0987 -2.0987 -2.0947 -2.0947 2.1694 2.1694 2.1765 2.1765 2.5749 2.5749 2.5800 2.5800 3.5355 3.5355 3.5398 3.5398 4.9448 4.9448 4.9510 4.9510 5.3545 5.3545 5.3559 5.3559 5.8982 5.8982 5.8983 5.8983 6.3728 6.3728 6.3843 6.3843 6.8128 6.8128 6.8219 6.8219 15.4903 15.4903 15.4927 15.4927 15.6524 15.6524 15.6580 15.6580 17.2458 17.2458 17.2495 17.2495 k = 0.0000 0.5000-0.0000 ( 3064 PWs) bands (ev): -16.9521 -16.9521 -16.9521 -16.9521 -14.5165 -14.5165 -14.5164 -14.5164 -12.6118 -12.6118 -12.6114 -12.6114 -12.3935 -12.3935 -12.3931 -12.3931 -6.6222 -6.6222 -6.6222 -6.6222 -3.5218 -3.5218 -3.5217 -3.5217 -2.8574 -2.8574 -2.8540 -2.8540 -2.0987 -2.0987 -2.0947 -2.0947 2.1694 2.1694 2.1765 2.1765 2.5749 2.5749 2.5800 2.5800 3.5355 3.5355 3.5398 3.5398 4.9448 4.9448 4.9510 4.9510 5.3545 5.3545 5.3559 5.3559 5.8982 5.8982 5.8983 5.8983 6.3728 6.3728 6.3843 6.3843 6.8128 6.8128 6.8219 6.8219 15.4903 15.4903 15.4927 15.4927 15.6524 15.6524 15.6580 15.6580 17.2458 17.2458 17.2495 17.2495 k = 0.0128 0.5000-0.0000 ( 3066 PWs) bands (ev): -16.9513 -16.9513 -16.9512 -16.9512 -14.5175 -14.5175 -14.5174 -14.5174 -12.6120 -12.6120 -12.6116 -12.6116 -12.3941 -12.3941 -12.3937 -12.3937 -6.6203 -6.6203 -6.6203 -6.6203 -3.5262 -3.5262 -3.5261 -3.5261 -2.8535 -2.8535 -2.8501 -2.8501 -2.0976 -2.0976 -2.0936 -2.0936 2.1679 2.1679 2.1750 2.1750 2.5747 2.5747 2.5797 2.5797 3.5362 3.5362 3.5405 3.5405 4.9456 4.9456 4.9519 4.9519 5.3544 5.3544 5.3558 5.3558 5.8956 5.8956 5.8961 5.8962 6.3738 6.3738 6.3853 6.3853 6.8127 6.8127 6.8218 6.8218 15.4756 15.4756 15.4791 15.4792 15.6678 15.6678 15.6737 15.6737 17.2454 17.2454 17.2491 17.2491 k = 0.0256 0.5000-0.0000 ( 3054 PWs) bands (ev): -16.9488 -16.9488 -16.9488 -16.9488 -14.5206 -14.5206 -14.5204 -14.5204 -12.6127 -12.6127 -12.6123 -12.6123 -12.3958 -12.3958 -12.3954 -12.3954 -6.6147 -6.6147 -6.6146 -6.6146 -3.5390 -3.5390 -3.5389 -3.5388 -2.8421 -2.8421 -2.8387 -2.8387 -2.0943 -2.0942 -2.0903 -2.0903 2.1634 2.1634 2.1704 2.1704 2.5739 2.5739 2.5789 2.5789 3.5381 3.5381 3.5424 3.5424 4.9482 4.9482 4.9544 4.9544 5.3542 5.3542 5.3556 5.3556 5.8883 5.8883 5.8894 5.8894 6.3766 6.3766 6.3880 6.3880 6.8125 6.8125 6.8215 6.8215 15.4425 15.4425 15.4471 15.4471 15.7046 15.7046 15.7107 15.7107 17.2442 17.2442 17.2479 17.2479 k = 0.0385 0.5000-0.0000 ( 3054 PWs) bands (ev): -16.9448 -16.9448 -16.9448 -16.9448 -14.5256 -14.5256 -14.5255 -14.5255 -12.6139 -12.6139 -12.6135 -12.6135 -12.3986 -12.3985 -12.3981 -12.3981 -6.6054 -6.6053 -6.6053 -6.6053 -3.5594 -3.5593 -3.5592 -3.5591 -2.8240 -2.8240 -2.8207 -2.8207 -2.0887 -2.0887 -2.0847 -2.0847 2.1559 2.1559 2.1628 2.1628 2.5726 2.5727 2.5777 2.5777 3.5412 3.5412 3.5455 3.5455 4.9523 4.9523 4.9586 4.9586 5.3536 5.3536 5.3551 5.3551 5.8768 5.8768 5.8783 5.8784 6.3812 6.3812 6.3923 6.3923 6.8120 6.8120 6.8210 6.8210 15.4028 15.4029 15.4078 15.4079 15.7511 15.7511 15.7573 15.7573 17.2422 17.2423 17.2459 17.2460 k = 0.0513 0.5000-0.0000 ( 3054 PWs) bands (ev): -16.9392 -16.9392 -16.9392 -16.9392 -14.5327 -14.5326 -14.5325 -14.5325 -12.6155 -12.6155 -12.6151 -12.6151 -12.4023 -12.4023 -12.4019 -12.4019 -6.5924 -6.5923 -6.5923 -6.5923 -3.5862 -3.5861 -3.5859 -3.5858 -2.8005 -2.8005 -2.7972 -2.7972 -2.0810 -2.0810 -2.0770 -2.0770 2.1455 2.1455 2.1524 2.1524 2.5711 2.5711 2.5761 2.5761 3.5452 3.5452 3.5496 3.5496 4.9582 4.9582 4.9644 4.9644 5.3523 5.3523 5.3538 5.3538 5.8615 5.8616 5.8636 5.8636 6.3872 6.3872 6.3981 6.3981 6.8115 6.8115 6.8203 6.8203 15.3613 15.3613 15.3665 15.3666 15.8024 15.8024 15.8086 15.8086 17.2397 17.2397 17.2434 17.2435 k = 0.0641 0.5000-0.0000 ( 3062 PWs) bands (ev): -16.9320 -16.9320 -16.9320 -16.9320 -14.5417 -14.5417 -14.5416 -14.5416 -12.6177 -12.6177 -12.6173 -12.6173 -12.4070 -12.4070 -12.4066 -12.4066 -6.5759 -6.5758 -6.5758 -6.5758 -3.6181 -3.6181 -3.6178 -3.6177 -2.7727 -2.7727 -2.7694 -2.7694 -2.0710 -2.0710 -2.0670 -2.0670 2.1324 2.1325 2.1392 2.1393 2.5692 2.5692 2.5742 2.5742 3.5499 3.5499 3.5544 3.5544 4.9656 4.9656 4.9719 4.9719 5.3499 5.3499 5.3515 5.3515 5.8435 5.8436 5.8460 5.8461 6.3943 6.3943 6.4049 6.4049 6.8107 6.8107 6.8194 6.8194 15.3198 15.3198 15.3251 15.3251 15.8564 15.8564 15.8626 15.8626 17.2367 17.2367 17.2404 17.2405 k = 0.0769 0.5000-0.0000 ( 3060 PWs) bands (ev): -16.9232 -16.9232 -16.9232 -16.9232 -14.5529 -14.5529 -14.5527 -14.5527 -12.6204 -12.6204 -12.6200 -12.6200 -12.4124 -12.4124 -12.4120 -12.4120 -6.5559 -6.5559 -6.5559 -6.5558 -3.6542 -3.6541 -3.6538 -3.6537 -2.7417 -2.7417 -2.7384 -2.7384 -2.0589 -2.0589 -2.0549 -2.0549 2.1169 2.1169 2.1236 2.1236 2.5673 2.5673 2.5722 2.5723 3.5550 3.5550 3.5595 3.5595 4.9747 4.9747 4.9810 4.9810 5.3457 5.3457 5.3474 5.3474 5.8237 5.8238 5.8266 5.8267 6.4022 6.4022 6.4125 6.4125 6.8098 6.8098 6.8184 6.8184 15.2790 15.2791 15.2844 15.2844 15.9122 15.9122 15.9184 15.9184 17.2334 17.2335 17.2372 17.2373 k = 0.0897 0.5000-0.0000 ( 3056 PWs) bands (ev): -16.9128 -16.9128 -16.9128 -16.9128 -14.5660 -14.5660 -14.5659 -14.5659 -12.6236 -12.6236 -12.6232 -12.6232 -12.4185 -12.4185 -12.4181 -12.4181 -6.5328 -6.5327 -6.5327 -6.5326 -3.6934 -3.6933 -3.6930 -3.6929 -2.7084 -2.7084 -2.7051 -2.7051 -2.0447 -2.0446 -2.0406 -2.0406 2.0990 2.0991 2.1056 2.1056 2.5653 2.5653 2.5702 2.5702 3.5602 3.5602 3.5648 3.5648 4.9853 4.9853 4.9917 4.9917 5.3390 5.3390 5.3408 5.3409 5.8033 5.8033 5.8066 5.8066 6.4107 6.4107 6.4207 6.4207 6.8088 6.8088 6.8172 6.8172 15.2394 15.2395 15.2448 15.2448 15.9694 15.9694 15.9755 15.9756 17.2302 17.2303 17.2339 17.2341 k = 0.1026 0.5000-0.0000 ( 3056 PWs) bands (ev): -16.9008 -16.9008 -16.9008 -16.9008 -14.5812 -14.5812 -14.5811 -14.5811 -12.6274 -12.6274 -12.6270 -12.6270 -12.4251 -12.4251 -12.4247 -12.4247 -6.5065 -6.5065 -6.5064 -6.5064 -3.7350 -3.7350 -3.7346 -3.7345 -2.6736 -2.6735 -2.6702 -2.6702 -2.0283 -2.0283 -2.0242 -2.0242 2.0792 2.0792 2.0857 2.0857 2.5633 2.5633 2.5683 2.5683 3.5652 3.5652 3.5699 3.5699 4.9973 4.9973 5.0039 5.0039 5.3289 5.3289 5.3308 5.3309 5.7835 5.7836 5.7872 5.7872 6.4195 6.4196 6.4293 6.4293 6.8076 6.8076 6.8158 6.8158 15.2012 15.2012 15.2065 15.2065 16.0275 16.0276 16.0336 16.0337 17.2271 17.2273 17.2309 17.2310 k = 0.1154 0.5000-0.0000 ( 3052 PWs) bands (ev): -16.8873 -16.8873 -16.8873 -16.8873 -14.5985 -14.5985 -14.5984 -14.5984 -12.6318 -12.6318 -12.6313 -12.6313 -12.4320 -12.4320 -12.4316 -12.4316 -6.4774 -6.4773 -6.4773 -6.4772 -3.7785 -3.7784 -3.7780 -3.7779 -2.6377 -2.6377 -2.6344 -2.6344 -2.0099 -2.0099 -2.0058 -2.0058 2.0577 2.0577 2.0640 2.0640 2.5614 2.5615 2.5664 2.5664 3.5697 3.5697 3.5744 3.5745 5.0106 5.0106 5.0173 5.0173 5.3144 5.3144 5.3165 5.3165 5.7657 5.7657 5.7696 5.7697 6.4285 6.4285 6.4380 6.4381 6.8064 6.8064 6.8143 6.8143 15.1644 15.1644 15.1696 15.1697 16.0864 16.0864 16.0924 16.0925 17.2245 17.2246 17.2282 17.2284 k = 0.1282 0.5000-0.0000 ( 3048 PWs) bands (ev): -16.8722 -16.8722 -16.8722 -16.8722 -14.6178 -14.6178 -14.6177 -14.6177 -12.6367 -12.6367 -12.6363 -12.6363 -12.4391 -12.4391 -12.4387 -12.4387 -6.4456 -6.4455 -6.4455 -6.4454 -3.8232 -3.8232 -3.8228 -3.8227 -2.6013 -2.6013 -2.5980 -2.5980 -1.9896 -1.9895 -1.9854 -1.9854 2.0348 2.0348 2.0409 2.0410 2.5597 2.5597 2.5647 2.5647 3.5734 3.5734 3.5783 3.5783 5.0247 5.0247 5.0318 5.0319 5.2950 5.2950 5.2970 5.2970 5.7510 5.7511 5.7553 5.7553 6.4375 6.4375 6.4469 6.4469 6.8050 6.8050 6.8127 6.8127 15.1291 15.1292 15.1343 15.1343 16.1457 16.1457 16.1517 16.1517 17.2225 17.2226 17.2262 17.2264 k = 0.1410 0.5000-0.0000 ( 3048 PWs) bands (ev): -16.8555 -16.8555 -16.8555 -16.8555 -14.6392 -14.6392 -14.6391 -14.6391 -12.6423 -12.6422 -12.6418 -12.6418 -12.4462 -12.4462 -12.4458 -12.4458 -6.4113 -6.4113 -6.4112 -6.4111 -3.8690 -3.8689 -3.8685 -3.8684 -2.5647 -2.5647 -2.5613 -2.5613 -1.9673 -1.9673 -1.9632 -1.9632 2.0108 2.0108 2.0168 2.0168 2.5581 2.5581 2.5631 2.5631 3.5762 3.5762 3.5811 3.5811 5.0391 5.0391 5.0468 5.0468 5.2705 5.2705 5.2722 5.2722 5.7404 5.7404 5.7448 5.7449 6.4464 6.4464 6.4556 6.4556 6.8037 6.8037 6.8110 6.8110 15.0954 15.0954 15.1005 15.1005 16.2052 16.2053 16.2111 16.2112 17.2212 17.2214 17.2249 17.2251 k = 0.1538 0.5000-0.0000 ( 3048 PWs) bands (ev): -16.8373 -16.8373 -16.8373 -16.8373 -14.6626 -14.6626 -14.6625 -14.6625 -12.6483 -12.6483 -12.6479 -12.6479 -12.4532 -12.4532 -12.4528 -12.4528 -6.3748 -6.3748 -6.3747 -6.3746 -3.9154 -3.9153 -3.9149 -3.9148 -2.5281 -2.5280 -2.5247 -2.5247 -1.9434 -1.9434 -1.9393 -1.9392 1.9860 1.9860 1.9919 1.9920 2.5566 2.5566 2.5616 2.5616 3.5778 3.5779 3.5828 3.5828 5.0525 5.0525 5.0612 5.0612 5.2418 5.2418 5.2429 5.2429 5.7342 5.7342 5.7388 5.7388 6.4551 6.4551 6.4642 6.4643 6.8023 6.8023 6.8093 6.8093 15.0633 15.0633 15.0682 15.0683 16.2648 16.2648 16.2706 16.2706 17.2208 17.2210 17.2245 17.2247 k = 0.1667 0.5000-0.0000 ( 3040 PWs) bands (ev): -16.8176 -16.8176 -16.8176 -16.8176 -14.6880 -14.6880 -14.6879 -14.6879 -12.6550 -12.6549 -12.6545 -12.6545 -12.4600 -12.4600 -12.4596 -12.4596 -6.3363 -6.3363 -6.3362 -6.3361 -3.9621 -3.9621 -3.9616 -3.9616 -2.4915 -2.4915 -2.4882 -2.4882 -1.9179 -1.9178 -1.9137 -1.9137 1.9608 1.9609 1.9667 1.9667 2.5552 2.5552 2.5603 2.5603 3.5782 3.5783 3.5833 3.5833 5.0618 5.0618 5.0722 5.0722 5.2114 5.2114 5.2127 5.2127 5.7324 5.7324 5.7371 5.7371 6.4636 6.4636 6.4727 6.4727 6.8010 6.8010 6.8077 6.8077 15.0327 15.0327 15.0376 15.0376 16.3241 16.3241 16.3298 16.3299 17.2215 17.2217 17.2252 17.2254 k = 0.1795 0.5000-0.0000 ( 3046 PWs) bands (ev): -16.7964 -16.7964 -16.7964 -16.7964 -14.7155 -14.7155 -14.7154 -14.7153 -12.6620 -12.6620 -12.6616 -12.6616 -12.4665 -12.4665 -12.4661 -12.4661 -6.2961 -6.2961 -6.2959 -6.2959 -4.0091 -4.0091 -4.0086 -4.0086 -2.4553 -2.4553 -2.4520 -2.4520 -1.8909 -1.8909 -1.8868 -1.8868 1.9355 1.9356 1.9412 1.9413 2.5538 2.5539 2.5589 2.5590 3.5773 3.5773 3.5824 3.5824 5.0598 5.0598 5.0724 5.0724 5.1865 5.1865 5.1898 5.1898 5.7345 5.7345 5.7393 5.7393 6.4718 6.4718 6.4809 6.4809 6.7998 6.7998 6.8062 6.8062 15.0037 15.0037 15.0084 15.0085 16.3830 16.3830 16.3886 16.3887 17.2232 17.2234 17.2268 17.2270 k = 0.1923 0.5000-0.0000 ( 3040 PWs) bands (ev): -16.7737 -16.7737 -16.7737 -16.7737 -14.7449 -14.7449 -14.7447 -14.7447 -12.6695 -12.6695 -12.6691 -12.6691 -12.4727 -12.4727 -12.4722 -12.4722 -6.2543 -6.2543 -6.2542 -6.2541 -4.0562 -4.0561 -4.0557 -4.0556 -2.4194 -2.4194 -2.4161 -2.4161 -1.8627 -1.8627 -1.8586 -1.8586 1.9104 1.9104 1.9159 1.9160 2.5525 2.5525 2.5576 2.5576 3.5750 3.5750 3.5801 3.5801 5.0378 5.0378 5.0508 5.0509 5.1792 5.1792 5.1831 5.1831 5.7400 5.7400 5.7448 5.7448 6.4797 6.4798 6.4889 6.4889 6.7988 6.7988 6.8048 6.8048 14.9763 14.9763 14.9809 14.9809 16.4413 16.4414 16.4469 16.4469 17.2260 17.2263 17.2296 17.2298 k = 0.2051 0.5000-0.0000 ( 3040 PWs) bands (ev): -16.7496 -16.7496 -16.7495 -16.7495 -14.7762 -14.7761 -14.7760 -14.7760 -12.6772 -12.6772 -12.6768 -12.6768 -12.4784 -12.4784 -12.4780 -12.4780 -6.2113 -6.2113 -6.2111 -6.2111 -4.1031 -4.1030 -4.1026 -4.1026 -2.3838 -2.3838 -2.3806 -2.3806 -1.8334 -1.8334 -1.8294 -1.8294 1.8856 1.8856 1.8911 1.8911 2.5510 2.5511 2.5563 2.5563 3.5713 3.5713 3.5765 3.5765 4.9972 4.9972 5.0091 5.0091 5.1886 5.1886 5.1917 5.1917 5.7482 5.7482 5.7530 5.7530 6.4874 6.4874 6.4966 6.4966 6.7980 6.7980 6.8037 6.8037 14.9504 14.9504 14.9548 14.9548 16.4989 16.4990 16.5044 16.5044 17.2299 17.2301 17.2334 17.2336 k = 0.2179 0.5000-0.0000 ( 3040 PWs) bands (ev): -16.7240 -16.7240 -16.7239 -16.7239 -14.8093 -14.8093 -14.8092 -14.8092 -12.6852 -12.6852 -12.6848 -12.6848 -12.4837 -12.4837 -12.4833 -12.4833 -6.1673 -6.1672 -6.1671 -6.1670 -4.1499 -4.1498 -4.1494 -4.1493 -2.3487 -2.3487 -2.3455 -2.3455 -1.8033 -1.8033 -1.7993 -1.7993 1.8615 1.8615 1.8669 1.8669 2.5495 2.5495 2.5548 2.5548 3.5663 3.5663 3.5715 3.5715 4.9457 4.9457 4.9566 4.9566 5.2060 5.2060 5.2086 5.2086 5.7585 5.7585 5.7632 5.7632 6.4948 6.4948 6.5040 6.5041 6.7975 6.7975 6.8028 6.8028 14.9260 14.9260 14.9303 14.9303 16.5556 16.5557 16.5610 16.5610 17.2347 17.2350 17.2381 17.2383 k = 0.2308 0.5000-0.0000 ( 3044 PWs) bands (ev): -16.6969 -16.6969 -16.6969 -16.6969 -14.8443 -14.8442 -14.8441 -14.8441 -12.6932 -12.6932 -12.6928 -12.6928 -12.4886 -12.4886 -12.4882 -12.4882 -6.1224 -6.1223 -6.1222 -6.1221 -4.1963 -4.1962 -4.1958 -4.1957 -2.3140 -2.3140 -2.3108 -2.3108 -1.7726 -1.7725 -1.7687 -1.7686 1.8383 1.8383 1.8436 1.8436 2.5478 2.5478 2.5531 2.5531 3.5600 3.5600 3.5652 3.5652 4.8880 4.8880 4.8982 4.8983 5.2270 5.2270 5.2294 5.2294 5.7702 5.7702 5.7749 5.7749 6.5019 6.5020 6.5113 6.5113 6.7972 6.7973 6.8022 6.8022 14.9030 14.9030 14.9072 14.9072 16.6114 16.6114 16.6165 16.6166 17.2404 17.2407 17.2437 17.2439 k = 0.2436 0.5000-0.0000 ( 3046 PWs) bands (ev): -16.6685 -16.6685 -16.6685 -16.6685 -14.8809 -14.8809 -14.8808 -14.8808 -12.7012 -12.7012 -12.7009 -12.7009 -12.4931 -12.4931 -12.4927 -12.4927 -6.0769 -6.0769 -6.0767 -6.0766 -4.2423 -4.2422 -4.2418 -4.2418 -2.2797 -2.2797 -2.2766 -2.2766 -1.7414 -1.7413 -1.7376 -1.7375 1.8161 1.8162 1.8214 1.8214 2.5458 2.5458 2.5512 2.5512 3.5525 3.5526 3.5578 3.5578 4.8267 4.8267 4.8365 4.8365 5.2498 5.2498 5.2522 5.2522 5.7829 5.7829 5.7874 5.7874 6.5090 6.5090 6.5184 6.5184 6.7973 6.7973 6.8019 6.8019 14.8816 14.8816 14.8856 14.8856 16.6660 16.6660 16.6710 16.6711 17.2469 17.2471 17.2500 17.2502 k = 0.2564 0.5000-0.0000 ( 3046 PWs) bands (ev): -16.6387 -16.6387 -16.6387 -16.6387 -14.9192 -14.9192 -14.9191 -14.9191 -12.7092 -12.7092 -12.7088 -12.7088 -12.4973 -12.4973 -12.4969 -12.4969 -6.0310 -6.0310 -6.0308 -6.0308 -4.2879 -4.2878 -4.2874 -4.2873 -2.2460 -2.2460 -2.2430 -2.2430 -1.7100 -1.7099 -1.7063 -1.7062 1.7953 1.7953 1.8005 1.8005 2.5435 2.5435 2.5490 2.5490 3.5440 3.5440 3.5492 3.5492 4.7631 4.7631 4.7725 4.7725 5.2738 5.2738 5.2762 5.2762 5.7959 5.7959 5.8003 5.8003 6.5160 6.5160 6.5254 6.5255 6.7976 6.7976 6.8019 6.8019 14.8615 14.8615 14.8653 14.8654 16.7194 16.7195 16.7243 16.7244 17.2539 17.2541 17.2568 17.2571 k = 0.2692 0.5000-0.0000 ( 3034 PWs) bands (ev): -16.6076 -16.6076 -16.6076 -16.6076 -14.9590 -14.9590 -14.9589 -14.9589 -12.7169 -12.7169 -12.7166 -12.7166 -12.5010 -12.5010 -12.5007 -12.5007 -5.9850 -5.9849 -5.9847 -5.9847 -4.3329 -4.3328 -4.3324 -4.3323 -2.2128 -2.2128 -2.2099 -2.2099 -1.6786 -1.6785 -1.6749 -1.6749 1.7759 1.7759 1.7810 1.7810 2.5408 2.5408 2.5464 2.5464 3.5345 3.5345 3.5397 3.5397 4.6982 4.6982 4.7073 4.7073 5.2984 5.2984 5.3008 5.3008 5.8089 5.8089 5.8132 5.8133 6.5231 6.5231 6.5326 6.5326 6.7981 6.7981 6.8021 6.8021 14.8428 14.8429 14.8465 14.8465 16.7717 16.7718 16.7765 16.7766 17.2613 17.2616 17.2641 17.2643 k = 0.2821 0.5000-0.0000 ( 3030 PWs) bands (ev): -16.5752 -16.5752 -16.5751 -16.5751 -15.0003 -15.0003 -15.0002 -15.0002 -12.7244 -12.7243 -12.7240 -12.7240 -12.5045 -12.5045 -12.5041 -12.5041 -5.9389 -5.9389 -5.9387 -5.9386 -4.3773 -4.3772 -4.3769 -4.3768 -2.1803 -2.1803 -2.1774 -2.1774 -1.6474 -1.6473 -1.6439 -1.6438 1.7581 1.7581 1.7631 1.7632 2.5377 2.5377 2.5433 2.5434 3.5242 3.5242 3.5293 3.5293 4.6326 4.6327 4.6415 4.6416 5.3234 5.3234 5.3258 5.3258 5.8215 5.8215 5.8257 5.8257 6.5303 6.5304 6.5398 6.5398 6.7988 6.7988 6.8026 6.8026 14.8255 14.8255 14.8290 14.8291 16.8228 16.8228 16.8274 16.8274 17.2690 17.2693 17.2716 17.2719 k = 0.2949 0.5000-0.0000 ( 3030 PWs) bands (ev): -16.5415 -16.5415 -16.5414 -16.5414 -15.0428 -15.0428 -15.0427 -15.0427 -12.7315 -12.7315 -12.7312 -12.7312 -12.5076 -12.5076 -12.5073 -12.5073 -5.8930 -5.8930 -5.8928 -5.8927 -4.4211 -4.4210 -4.4207 -4.4206 -2.1484 -2.1484 -2.1457 -2.1457 -1.6166 -1.6166 -1.6132 -1.6132 1.7420 1.7420 1.7469 1.7470 2.5341 2.5341 2.5398 2.5398 3.5131 3.5132 3.5183 3.5183 4.5672 4.5672 4.5759 4.5759 5.3485 5.3485 5.3509 5.3509 5.8332 5.8332 5.8372 5.8372 6.5380 6.5380 6.5474 6.5474 6.7996 6.7996 6.8031 6.8031 14.8095 14.8096 14.8129 14.8129 16.8724 16.8725 16.8769 16.8769 17.2769 17.2772 17.2793 17.2796 k = 0.3077 0.5000-0.0000 ( 3032 PWs) bands (ev): -16.5066 -16.5066 -16.5065 -16.5065 -15.0866 -15.0866 -15.0865 -15.0865 -12.7382 -12.7382 -12.7380 -12.7380 -12.5105 -12.5105 -12.5102 -12.5102 -5.8475 -5.8475 -5.8472 -5.8472 -4.4642 -4.4641 -4.4637 -4.4637 -2.1174 -2.1174 -2.1148 -2.1148 -1.5864 -1.5864 -1.5831 -1.5831 1.7277 1.7277 1.7326 1.7326 2.5299 2.5299 2.5356 2.5356 3.5016 3.5016 3.5066 3.5067 4.5025 4.5025 4.5109 4.5109 5.3737 5.3737 5.3760 5.3760 5.8438 5.8438 5.8477 5.8477 6.5461 6.5461 6.5554 6.5554 6.8003 6.8003 6.8037 6.8037 14.7948 14.7948 14.7980 14.7980 16.9207 16.9207 16.9249 16.9250 17.2851 17.2854 17.2872 17.2875 k = 0.3205 0.5000-0.0000 ( 3032 PWs) bands (ev): -16.4705 -16.4705 -16.4705 -16.4705 -15.1315 -15.1314 -15.1314 -15.1313 -12.7446 -12.7446 -12.7443 -12.7443 -12.5132 -12.5132 -12.5129 -12.5129 -5.8024 -5.8024 -5.8022 -5.8021 -4.5065 -4.5064 -4.5061 -4.5060 -2.0873 -2.0873 -2.0848 -2.0848 -1.5570 -1.5570 -1.5539 -1.5539 1.7153 1.7153 1.7200 1.7201 2.5251 2.5251 2.5308 2.5308 3.4897 3.4897 3.4946 3.4946 4.4390 4.4390 4.4472 4.4473 5.3986 5.3986 5.4009 5.4009 5.8530 5.8530 5.8567 5.8567 6.5548 6.5548 6.5640 6.5640 6.8009 6.8009 6.8042 6.8042 14.7813 14.7814 14.7843 14.7843 16.9672 16.9672 16.9713 16.9713 17.2937 17.2940 17.2955 17.2958 k = 0.3333 0.5000-0.0000 ( 3040 PWs) bands (ev): -16.4333 -16.4333 -16.4333 -16.4333 -15.1772 -15.1772 -15.1771 -15.1771 -12.7505 -12.7504 -12.7502 -12.7502 -12.5156 -12.5156 -12.5153 -12.5153 -5.7581 -5.7580 -5.7578 -5.7578 -4.5480 -4.5479 -4.5476 -4.5475 -2.0583 -2.0583 -2.0559 -2.0559 -1.5286 -1.5286 -1.5256 -1.5256 1.7048 1.7048 1.7094 1.7094 2.5196 2.5197 2.5254 2.5254 3.4776 3.4776 3.4824 3.4824 4.3774 4.3774 4.3854 4.3854 5.4234 5.4234 5.4256 5.4256 5.8606 5.8606 5.8640 5.8640 6.5642 6.5642 6.5732 6.5732 6.8012 6.8013 6.8044 6.8044 14.7691 14.7691 14.7718 14.7718 17.0116 17.0117 17.0156 17.0156 17.3030 17.3033 17.3045 17.3048 k = 0.3462 0.5000-0.0000 ( 3044 PWs) bands (ev): -16.3951 -16.3951 -16.3950 -16.3950 -15.2238 -15.2238 -15.2237 -15.2237 -12.7559 -12.7559 -12.7557 -12.7556 -12.5178 -12.5178 -12.5175 -12.5175 -5.7145 -5.7145 -5.7142 -5.7142 -4.5887 -4.5886 -4.5883 -4.5882 -2.0305 -2.0305 -2.0283 -2.0283 -1.5014 -1.5013 -1.4986 -1.4985 1.6961 1.6962 1.7007 1.7007 2.5136 2.5136 2.5192 2.5192 3.4654 3.4654 3.4701 3.4701 4.3181 4.3182 4.3258 4.3259 5.4477 5.4477 5.4499 5.4499 5.8664 5.8664 5.8695 5.8695 6.5744 6.5744 6.5832 6.5832 6.8012 6.8012 6.8043 6.8043 14.7580 14.7580 14.7605 14.7605 17.0534 17.0535 17.0572 17.0572 17.3136 17.3139 17.3148 17.3150 k = 0.3590 0.5000-0.0000 ( 3036 PWs) bands (ev): -16.3558 -16.3558 -16.3558 -16.3558 -15.2710 -15.2710 -15.2709 -15.2709 -12.7608 -12.7608 -12.7606 -12.7606 -12.5198 -12.5198 -12.5195 -12.5195 -5.6719 -5.6718 -5.6716 -5.6715 -4.6284 -4.6283 -4.6280 -4.6279 -2.0042 -2.0041 -2.0020 -2.0020 -1.4755 -1.4754 -1.4729 -1.4728 1.6894 1.6895 1.6938 1.6938 2.5069 2.5069 2.5124 2.5125 3.4534 3.4534 3.4578 3.4579 4.2618 4.2618 4.2692 4.2692 5.4716 5.4716 5.4737 5.4737 5.8703 5.8704 5.8732 5.8732 6.5854 6.5854 6.5939 6.5939 6.8006 6.8006 6.8038 6.8038 14.7480 14.7480 14.7504 14.7504 17.0917 17.0918 17.0953 17.0953 17.3263 17.3265 17.3271 17.3273 k = 0.3718 0.5000-0.0000 ( 3032 PWs) bands (ev): -16.3157 -16.3157 -16.3157 -16.3157 -15.3187 -15.3187 -15.3186 -15.3186 -12.7653 -12.7653 -12.7651 -12.7651 -12.5216 -12.5216 -12.5214 -12.5214 -5.6304 -5.6303 -5.6301 -5.6301 -4.6670 -4.6669 -4.6666 -4.6665 -1.9793 -1.9793 -1.9773 -1.9773 -1.4511 -1.4511 -1.4487 -1.4486 1.6845 1.6845 1.6886 1.6887 2.4996 2.4996 2.5050 2.5050 3.4417 3.4417 3.4459 3.4459 4.2088 4.2088 4.2158 4.2158 5.4949 5.4949 5.4969 5.4969 5.8724 5.8724 5.8750 5.8750 6.5971 6.5971 6.6053 6.6053 6.7994 6.7994 6.8026 6.8026 14.7391 14.7391 14.7413 14.7413 17.1254 17.1256 17.1287 17.1288 17.3420 17.3422 17.3425 17.3427 k = 0.3846 0.5000-0.0000 ( 3024 PWs) bands (ev): -16.2748 -16.2748 -16.2748 -16.2748 -15.3666 -15.3666 -15.3666 -15.3665 -12.7693 -12.7692 -12.7691 -12.7691 -12.5232 -12.5232 -12.5230 -12.5230 -5.5902 -5.5902 -5.5899 -5.5899 -4.7044 -4.7043 -4.7040 -4.7039 -1.9562 -1.9562 -1.9544 -1.9544 -1.4284 -1.4284 -1.4262 -1.4262 1.6812 1.6812 1.6852 1.6852 2.4919 2.4919 2.4971 2.4971 3.4305 3.4305 3.4344 3.4344 4.1596 4.1596 4.1662 4.1662 5.5175 5.5175 5.5194 5.5194 5.8726 5.8726 5.8749 5.8749 6.6095 6.6095 6.6173 6.6174 6.7975 6.7975 6.8007 6.8008 14.7313 14.7313 14.7332 14.7332 17.1535 17.1537 17.1565 17.1566 17.3616 17.3617 17.3621 17.3622 k = 0.3974 0.5000-0.0000 ( 3028 PWs) bands (ev): -16.2333 -16.2333 -16.2332 -16.2332 -15.4147 -15.4147 -15.4146 -15.4146 -12.7728 -12.7728 -12.7726 -12.7726 -12.5246 -12.5246 -12.5245 -12.5245 -5.5516 -5.5516 -5.5513 -5.5513 -4.7405 -4.7404 -4.7401 -4.7400 -1.9350 -1.9350 -1.9333 -1.9333 -1.4076 -1.4076 -1.4056 -1.4056 1.6794 1.6795 1.6831 1.6832 2.4838 2.4838 2.4888 2.4888 3.4199 3.4199 3.4235 3.4235 4.1147 4.1147 4.1207 4.1208 5.5392 5.5392 5.5410 5.5410 5.8711 5.8711 5.8731 5.8731 6.6224 6.6225 6.6299 6.6299 6.7947 6.7947 6.7981 6.7981 14.7244 14.7244 14.7261 14.7261 17.1754 17.1756 17.1780 17.1782 17.3852 17.3853 17.3858 17.3859 k = 0.4103 0.5000-0.0000 ( 3030 PWs) bands (ev): -16.1913 -16.1913 -16.1913 -16.1912 -15.4626 -15.4625 -15.4625 -15.4625 -12.7758 -12.7758 -12.7757 -12.7757 -12.5259 -12.5259 -12.5258 -12.5258 -5.5148 -5.5148 -5.5146 -5.5145 -4.7749 -4.7748 -4.7746 -4.7745 -1.9158 -1.9158 -1.9144 -1.9143 -1.3888 -1.3888 -1.3870 -1.3870 1.6789 1.6790 1.6823 1.6824 2.4757 2.4757 2.4803 2.4803 3.4101 3.4101 3.4133 3.4134 4.0743 4.0743 4.0798 4.0798 5.5599 5.5599 5.5615 5.5615 5.8681 5.8681 5.8698 5.8698 6.6358 6.6358 6.6429 6.6429 6.7911 6.7911 6.7946 6.7946 14.7185 14.7185 14.7200 14.7200 17.1915 17.1917 17.1937 17.1940 17.4122 17.4123 17.4130 17.4131 k = 0.4231 0.5000-0.0000 ( 3030 PWs) bands (ev): -16.1492 -16.1492 -16.1491 -16.1491 -15.5099 -15.5099 -15.5099 -15.5098 -12.7784 -12.7784 -12.7783 -12.7783 -12.5270 -12.5270 -12.5269 -12.5269 -5.4803 -5.4803 -5.4801 -5.4800 -4.8074 -4.8073 -4.8070 -4.8069 -1.8988 -1.8988 -1.8976 -1.8976 -1.3722 -1.3721 -1.3706 -1.3706 1.6795 1.6795 1.6825 1.6826 2.4677 2.4677 2.4719 2.4719 3.4013 3.4013 3.4041 3.4042 4.0388 4.0389 4.0437 4.0437 5.5793 5.5793 5.5807 5.5808 5.8639 5.8639 5.8654 5.8654 6.6493 6.6493 6.6560 6.6560 6.7866 6.7866 6.7902 6.7902 14.7134 14.7134 14.7148 14.7148 17.2028 17.2031 17.2047 17.2050 17.4411 17.4412 17.4420 17.4421 k = 0.4359 0.5000-0.0000 ( 3034 PWs) bands (ev): -16.1074 -16.1074 -16.1073 -16.1073 -15.5563 -15.5563 -15.5562 -15.5562 -12.7806 -12.7806 -12.7805 -12.7805 -12.5280 -12.5279 -12.5278 -12.5278 -5.4486 -5.4486 -5.4483 -5.4483 -4.8373 -4.8372 -4.8370 -4.8369 -1.8842 -1.8842 -1.8832 -1.8831 -1.3578 -1.3578 -1.3565 -1.3564 1.6807 1.6808 1.6834 1.6834 2.4602 2.4602 2.4638 2.4639 3.3936 3.3936 3.3960 3.3960 4.0085 4.0085 4.0127 4.0127 5.5971 5.5971 5.5983 5.5984 5.8588 5.8588 5.8600 5.8600 6.6627 6.6627 6.6690 6.6690 6.7812 6.7812 6.7849 6.7849 14.7093 14.7093 14.7104 14.7104 17.2105 17.2108 17.2120 17.2124 17.4701 17.4702 17.4710 17.4711 k = 0.4487 0.5000-0.0000 ( 3034 PWs) bands (ev): -16.0665 -16.0665 -16.0665 -16.0664 -15.6009 -15.6008 -15.6008 -15.6008 -12.7824 -12.7824 -12.7823 -12.7823 -12.5287 -12.5287 -12.5286 -12.5286 -5.4203 -5.4203 -5.4201 -5.4201 -4.8641 -4.8639 -4.8638 -4.8637 -1.8720 -1.8720 -1.8712 -1.8712 -1.3459 -1.3458 -1.3448 -1.3448 1.6824 1.6824 1.6846 1.6846 2.4535 2.4535 2.4565 2.4565 3.3871 3.3872 3.3891 3.3892 3.9836 3.9836 3.9870 3.9870 5.6129 5.6129 5.6139 5.6140 5.8533 5.8533 5.8543 5.8543 6.6759 6.6759 6.6817 6.6817 6.7750 6.7750 6.7788 6.7788 14.7059 14.7060 14.7068 14.7069 17.2157 17.2160 17.2169 17.2172 17.4972 17.4973 17.4980 17.4981 k = 0.4615 0.5000-0.0000 ( 3044 PWs) bands (ev): -16.0280 -16.0280 -16.0279 -16.0279 -15.6424 -15.6424 -15.6423 -15.6423 -12.7838 -12.7837 -12.7837 -12.7837 -12.5293 -12.5293 -12.5292 -12.5292 -5.3965 -5.3964 -5.3963 -5.3963 -4.8867 -4.8866 -4.8865 -4.8864 -1.8625 -1.8624 -1.8618 -1.8618 -1.3364 -1.3364 -1.3356 -1.3356 1.6842 1.6842 1.6859 1.6859 2.4479 2.4479 2.4503 2.4503 3.3821 3.3821 3.3836 3.3836 3.9641 3.9641 3.9667 3.9668 5.6262 5.6262 5.6270 5.6271 5.8480 5.8480 5.8487 5.8487 6.6883 6.6883 6.6936 6.6936 6.7683 6.7683 6.7720 6.7720 14.7034 14.7034 14.7041 14.7041 17.2190 17.2194 17.2199 17.2203 17.5206 17.5207 17.5213 17.5214 k = 0.4744 0.5000-0.0000 ( 3044 PWs) bands (ev): -15.9941 -15.9941 -15.9941 -15.9940 -15.6784 -15.6784 -15.6783 -15.6783 -12.7847 -12.7847 -12.7847 -12.7847 -12.5297 -12.5297 -12.5297 -12.5297 -5.3781 -5.3781 -5.3780 -5.3780 -4.9041 -4.9040 -4.9040 -4.9039 -1.8555 -1.8555 -1.8551 -1.8551 -1.3296 -1.3296 -1.3291 -1.3290 1.6857 1.6858 1.6869 1.6870 2.4438 2.4438 2.4454 2.4454 3.3785 3.3785 3.3795 3.3795 3.9503 3.9503 3.9521 3.9521 5.6364 5.6364 5.6370 5.6370 5.8435 5.8435 5.8440 5.8440 6.6996 6.6996 6.7039 6.7040 6.7617 6.7617 6.7650 6.7650 14.7017 14.7017 14.7021 14.7021 17.2211 17.2215 17.2217 17.2221 17.5388 17.5389 17.5393 17.5394 k = 0.4872 0.5000-0.0000 ( 3044 PWs) bands (ev): -15.9694 -15.9693 -15.9693 -15.9692 -15.7045 -15.7045 -15.7044 -15.7044 -12.7853 -12.7853 -12.7853 -12.7853 -12.5300 -12.5300 -12.5299 -12.5299 -5.3665 -5.3664 -5.3664 -5.3664 -4.9152 -4.9152 -4.9151 -4.9150 -1.8513 -1.8513 -1.8511 -1.8510 -1.3254 -1.3254 -1.3251 -1.3251 1.6869 1.6870 1.6875 1.6876 2.4414 2.4414 2.4422 2.4422 3.3764 3.3764 3.3769 3.3769 3.9422 3.9422 3.9431 3.9431 5.6430 5.6430 5.6433 5.6433 5.8405 5.8405 5.8408 5.8408 6.7086 6.7086 6.7113 6.7113 6.7565 6.7565 6.7587 6.7587 14.7007 14.7007 14.7009 14.7009 17.2223 17.2226 17.2228 17.2230 17.5503 17.5504 17.5506 17.5507 k = 0.5000 0.5000-0.0000 ( 3048 PWs) bands (ev): -15.9599 -15.9599 -15.9598 -15.9598 -15.7144 -15.7144 -15.7143 -15.7143 -12.7855 -12.7855 -12.7855 -12.7855 -12.5301 -12.5301 -12.5300 -12.5300 -5.3624 -5.3624 -5.3624 -5.3624 -4.9190 -4.9190 -4.9189 -4.9189 -1.8498 -1.8498 -1.8498 -1.8498 -1.3239 -1.3239 -1.3239 -1.3239 1.6875 1.6875 1.6876 1.6876 2.4409 2.4409 2.4409 2.4409 3.3758 3.3758 3.3759 3.3759 3.9397 3.9397 3.9398 3.9398 5.6453 5.6453 5.6454 5.6454 5.8395 5.8395 5.8395 5.8395 6.7132 6.7132 6.7132 6.7132 6.7552 6.7552 6.7552 6.7552 14.7004 14.7004 14.7004 14.7004 17.2228 17.2228 17.2232 17.2232 17.5543 17.5543 17.5545 17.5545 k = 0.5000 0.5000-0.0000 ( 3048 PWs) bands (ev): -15.9599 -15.9599 -15.9598 -15.9598 -15.7144 -15.7144 -15.7143 -15.7143 -12.7855 -12.7855 -12.7855 -12.7855 -12.5301 -12.5301 -12.5300 -12.5300 -5.3624 -5.3624 -5.3624 -5.3624 -4.9190 -4.9190 -4.9189 -4.9189 -1.8498 -1.8498 -1.8498 -1.8498 -1.3239 -1.3239 -1.3239 -1.3239 1.6875 1.6875 1.6876 1.6876 2.4409 2.4409 2.4409 2.4409 3.3758 3.3758 3.3759 3.3759 3.9397 3.9397 3.9398 3.9398 5.6453 5.6453 5.6454 5.6454 5.8395 5.8395 5.8395 5.8395 6.7132 6.7132 6.7132 6.7132 6.7552 6.7552 6.7552 6.7552 14.7004 14.7004 14.7004 14.7004 17.2228 17.2228 17.2232 17.2232 17.5543 17.5543 17.5545 17.5545 k = 0.4911 0.4911-0.0000 ( 3040 PWs) bands (ev): -15.9778 -15.9778 -15.9596 -15.9596 -15.7144 -15.7143 -15.6957 -15.6957 -12.7854 -12.7854 -12.7852 -12.7852 -12.5301 -12.5300 -12.5298 -12.5298 -5.3710 -5.3709 -5.3616 -5.3616 -4.9187 -4.9187 -4.9119 -4.9118 -1.8518 -1.8516 -1.8506 -1.8504 -1.3256 -1.3254 -1.3251 -1.3247 1.6869 1.6870 1.6872 1.6880 2.4386 2.4397 2.4444 2.4446 3.3758 3.3763 3.3771 3.3772 3.9416 3.9416 3.9432 3.9437 5.6415 5.6415 5.6447 5.6452 5.8386 5.8387 5.8425 5.8426 6.7064 6.7092 6.7125 6.7126 6.7547 6.7548 6.7589 6.7614 14.6992 14.6992 14.7023 14.7024 17.2206 17.2207 17.2247 17.2247 17.5466 17.5469 17.5544 17.5546 k = 0.4821 0.4821-0.0000 ( 3036 PWs) bands (ev): -16.0211 -16.0210 -15.9590 -15.9590 -15.7143 -15.7143 -15.6506 -15.6506 -12.7851 -12.7851 -12.7844 -12.7843 -12.5302 -12.5302 -12.5292 -12.5292 -5.3953 -5.3951 -5.3590 -5.3590 -4.9180 -4.9179 -4.8921 -4.8919 -1.8576 -1.8573 -1.8530 -1.8525 -1.3305 -1.3302 -1.3282 -1.3276 1.6850 1.6852 1.6868 1.6885 2.4329 2.4350 2.4550 2.4554 3.3764 3.3774 3.3808 3.3811 3.9473 3.9474 3.9537 3.9548 5.6306 5.6307 5.6433 5.6442 5.8360 5.8361 5.8507 5.8511 6.6938 6.6980 6.7100 6.7101 6.7535 6.7538 6.7692 6.7726 14.6955 14.6956 14.7081 14.7083 17.2130 17.2133 17.2303 17.2303 17.5242 17.5247 17.5545 17.5549 k = 0.4732 0.4732-0.0000 ( 3036 PWs) bands (ev): -16.0758 -16.0757 -15.9580 -15.9580 -15.7143 -15.7143 -15.5928 -15.5928 -12.7846 -12.7846 -12.7830 -12.7829 -12.5304 -12.5304 -12.5282 -12.5282 -5.4319 -5.4317 -5.3546 -5.3546 -4.9168 -4.9166 -4.8627 -4.8624 -1.8673 -1.8668 -1.8568 -1.8561 -1.3386 -1.3381 -1.3334 -1.3324 1.6821 1.6824 1.6866 1.6890 2.4239 2.4270 2.4724 2.4730 3.3778 3.3792 3.3871 3.3876 3.9568 3.9569 3.9710 3.9726 5.6141 5.6143 5.6411 5.6424 5.8316 5.8318 5.8629 5.8633 6.6790 6.6838 6.7058 6.7059 6.7516 6.7520 6.7816 6.7852 14.6894 14.6895 14.7178 14.7181 17.2006 17.2011 17.2394 17.2395 17.4891 17.4898 17.5548 17.5554 k = 0.4643 0.4643-0.0000 ( 3034 PWs) bands (ev): -16.1352 -16.1351 -15.9566 -15.9566 -15.7142 -15.7142 -15.5290 -15.5290 -12.7840 -12.7839 -12.7810 -12.7810 -12.5307 -12.5306 -12.5268 -12.5267 -5.4778 -5.4775 -5.3486 -5.3486 -4.9151 -4.9149 -4.8269 -4.8267 -1.8807 -1.8800 -1.8621 -1.8611 -1.3499 -1.3493 -1.3405 -1.3392 1.6785 1.6789 1.6864 1.6896 2.4118 2.4159 2.4961 2.4969 3.3801 3.3820 3.3961 3.3966 3.9699 3.9701 3.9946 3.9966 5.5936 5.5938 5.6382 5.6399 5.8255 5.8258 5.8775 5.8780 6.6631 6.6683 6.7000 6.7001 6.7490 6.7495 6.7946 6.7982 14.6810 14.6812 14.7313 14.7317 17.1837 17.1843 17.2519 17.2520 17.4436 17.4446 17.5551 17.5558 k = 0.4554 0.4554-0.0000 ( 3034 PWs) bands (ev): -16.1965 -16.1965 -15.9548 -15.9548 -15.7142 -15.7141 -15.4621 -15.4620 -12.7831 -12.7830 -12.7786 -12.7785 -12.5310 -12.5309 -12.5249 -12.5249 -5.5303 -5.5300 -5.3409 -5.3409 -4.9129 -4.9127 -4.7873 -4.7871 -1.8977 -1.8969 -1.8688 -1.8676 -1.3643 -1.3634 -1.3494 -1.3478 1.6746 1.6752 1.6864 1.6903 2.3969 2.4019 2.5256 2.5266 3.3837 3.3861 3.4076 3.4083 3.9868 3.9870 4.0239 4.0262 5.5702 5.5704 5.6345 5.6366 5.8178 5.8181 5.8934 5.8941 6.6466 6.6521 6.6926 6.6926 6.7457 6.7463 6.8075 6.8111 14.6705 14.6708 14.7486 14.7490 17.1623 17.1631 17.2674 17.2676 17.3902 17.3913 17.5552 17.5562 k = 0.4464 0.4464-0.0000 ( 3026 PWs) bands (ev): -16.2586 -16.2585 -15.9526 -15.9526 -15.7141 -15.7141 -15.3932 -15.3931 -12.7820 -12.7819 -12.7756 -12.7755 -12.5313 -12.5312 -12.5227 -12.5226 -5.5877 -5.5875 -5.3317 -5.3316 -4.9104 -4.9101 -4.7454 -4.7451 -1.9183 -1.9173 -1.8768 -1.8754 -1.3816 -1.3807 -1.3601 -1.3582 1.6708 1.6714 1.6864 1.6910 2.3796 2.3854 2.5603 2.5614 3.3887 3.3915 3.4218 3.4226 4.0071 4.0074 4.0581 4.0607 5.5446 5.5447 5.6301 5.6326 5.8084 5.8088 5.9098 5.9106 6.6297 6.6356 6.6835 6.6835 6.7417 6.7425 6.8203 6.8237 14.6582 14.6584 14.7696 14.7701 17.1370 17.1379 17.2856 17.2858 17.3310 17.3322 17.5551 17.5563 k = 0.4375 0.4375-0.0000 ( 3026 PWs) bands (ev): -16.3207 -16.3207 -15.9501 -15.9500 -15.7140 -15.7140 -15.3230 -15.3229 -12.7807 -12.7806 -12.7721 -12.7719 -12.5317 -12.5316 -12.5200 -12.5200 -5.6491 -5.6489 -5.3208 -5.3208 -4.9075 -4.9072 -4.7022 -4.7019 -1.9422 -1.9411 -1.8862 -1.8845 -1.4019 -1.4008 -1.3725 -1.3703 1.6674 1.6681 1.6867 1.6918 2.3601 2.3668 2.5994 2.6007 3.3952 3.3985 3.4388 3.4397 4.0309 4.0311 4.0966 4.0994 5.5173 5.5175 5.6251 5.6279 5.7975 5.7979 5.9264 5.9273 6.6125 6.6187 6.6727 6.6728 6.7371 6.7379 6.8327 6.8360 14.6441 14.6444 14.7941 14.7947 17.1081 17.1090 17.2666 17.2682 17.3070 17.3070 17.5544 17.5558 k = 0.4286 0.4286-0.0000 ( 3028 PWs) bands (ev): -16.3826 -16.3825 -15.9471 -15.9471 -15.7140 -15.7139 -15.2519 -15.2518 -12.7791 -12.7790 -12.7680 -12.7679 -12.5320 -12.5319 -12.5170 -12.5169 -5.7137 -5.7135 -5.3086 -5.3086 -4.9043 -4.9039 -4.6583 -4.6580 -1.9693 -1.9681 -1.8967 -1.8949 -1.4250 -1.4238 -1.3864 -1.3839 1.6648 1.6655 1.6871 1.6928 2.3389 2.3463 2.6422 2.6437 3.4033 3.4071 3.4587 3.4596 4.0579 4.0581 4.1387 4.1417 5.4887 5.4889 5.6194 5.6225 5.7851 5.7855 5.9427 5.9437 6.5952 6.6017 6.6604 6.6604 6.7318 6.7328 6.8448 6.8480 14.6285 14.6289 14.8222 14.8229 17.0759 17.0769 17.1999 17.2016 17.3294 17.3295 17.5529 17.5546 k = 0.4196 0.4196-0.0000 ( 3026 PWs) bands (ev): -16.4440 -16.4439 -15.9439 -15.9439 -15.7139 -15.7138 -15.1801 -15.1800 -12.7773 -12.7772 -12.7636 -12.7634 -12.5323 -12.5322 -12.5136 -12.5135 -5.7811 -5.7808 -5.2950 -5.2949 -4.9008 -4.9004 -4.6141 -4.6138 -1.9994 -1.9981 -1.9085 -1.9064 -1.4508 -1.4494 -1.4018 -1.3990 1.6631 1.6637 1.6878 1.6940 2.3164 2.3244 2.6881 2.6898 3.4131 3.4172 3.4816 3.4824 4.0880 4.0882 4.1839 4.1869 5.4591 5.4593 5.6131 5.6166 5.7712 5.7717 5.9585 5.9596 6.5778 6.5846 6.6464 6.6464 6.7259 6.7270 6.8565 6.8597 14.6117 14.6121 14.8536 14.8543 17.0409 17.0419 17.1308 17.1326 17.3534 17.3536 17.5502 17.5521 k = 0.4107 0.4107-0.0000 ( 3030 PWs) bands (ev): -16.5047 -16.5047 -15.9403 -15.9403 -15.7138 -15.7138 -15.1077 -15.1076 -12.7752 -12.7750 -12.7586 -12.7585 -12.5325 -12.5324 -12.5098 -12.5097 -5.8507 -5.8505 -5.2801 -5.2801 -4.8971 -4.8966 -4.5699 -4.5696 -2.0323 -2.0309 -1.9213 -1.9190 -1.4791 -1.4776 -1.4184 -1.4154 1.6625 1.6629 1.6891 1.6954 2.2928 2.3014 2.7362 2.7381 3.4244 3.4289 3.5076 3.5084 4.1209 4.1211 4.2315 4.2346 5.4287 5.4289 5.6063 5.6101 5.7561 5.7565 5.9737 5.9750 6.5604 6.5676 6.6308 6.6309 6.7194 6.7207 6.8679 6.8711 14.5938 14.5943 14.8881 14.8890 17.0034 17.0045 17.0600 17.0619 17.3785 17.3788 17.5459 17.5480 k = 0.4018 0.4018-0.0000 ( 3030 PWs) bands (ev): -16.5648 -16.5648 -15.9364 -15.9364 -15.7138 -15.7137 -15.0348 -15.0347 -12.7728 -12.7726 -12.7532 -12.7531 -12.5326 -12.5325 -12.5057 -12.5056 -5.9225 -5.9222 -5.2640 -5.2640 -4.8932 -4.8927 -4.5258 -4.5255 -2.0679 -2.0664 -1.9351 -1.9326 -1.5098 -1.5083 -1.4362 -1.4329 1.6630 1.6630 1.6910 1.6973 2.2687 2.2778 2.7859 2.7880 3.4371 3.4419 3.5371 3.5378 4.1566 4.1567 4.2811 4.2841 5.3976 5.3978 5.5991 5.6031 5.7396 5.7401 5.9881 5.9896 6.5431 6.5507 6.6137 6.6139 6.7124 6.7138 6.8791 6.8822 14.5752 14.5757 14.9257 14.9266 16.9639 16.9650 16.9881 16.9902 17.4041 17.4045 17.5392 17.5417 k = 0.3929 0.3929-0.0000 ( 3030 PWs) bands (ev): -16.6240 -16.6240 -15.9322 -15.9322 -15.7138 -15.7137 -14.9617 -14.9616 -12.7701 -12.7699 -12.7474 -12.7472 -12.5326 -12.5324 -12.5012 -12.5011 -5.9961 -5.9959 -5.2469 -5.2469 -4.8893 -4.8888 -4.4818 -4.4815 -2.1059 -2.1042 -1.9498 -1.9471 -1.5428 -1.5412 -1.4549 -1.4514 1.6638 1.6645 1.6939 1.7000 2.2441 2.2537 2.8364 2.8388 3.4510 3.4561 3.5702 3.5708 4.1948 4.1948 4.3323 4.3352 5.3659 5.3662 5.5914 5.5957 5.7220 5.7225 6.0018 6.0033 6.5260 6.5339 6.5952 6.5954 6.7048 6.7064 6.8900 6.8930 14.5560 14.5565 14.9661 14.9671 16.9151 16.9175 16.9230 16.9238 17.4298 17.4304 17.5295 17.5323 k = 0.3839 0.3839-0.0000 ( 3032 PWs) bands (ev): -16.6824 -16.6824 -15.9277 -15.9277 -15.7138 -15.7137 -14.8883 -14.8882 -12.7671 -12.7668 -12.7413 -12.7411 -12.5324 -12.5322 -12.4964 -12.4963 -6.0715 -6.0712 -5.2289 -5.2289 -4.8853 -4.8848 -4.4380 -4.4377 -2.1460 -2.1443 -1.9654 -1.9625 -1.5779 -1.5761 -1.4746 -1.4708 1.6650 1.6667 1.6982 1.7036 2.2195 2.2295 2.8870 2.8895 3.4659 3.4713 3.6071 3.6076 4.2351 4.2352 4.3847 4.3874 5.3338 5.3341 5.5833 5.5878 5.7034 5.7037 6.0145 6.0162 6.5092 6.5174 6.5752 6.5755 6.6969 6.6986 6.9007 6.9038 14.5364 14.5369 15.0092 15.0102 16.8419 16.8444 16.8803 16.8812 17.4552 17.4559 17.5158 17.5190 k = 0.3750 0.3750-0.0000 ( 3032 PWs) bands (ev): -16.7398 -16.7398 -15.9230 -15.9229 -15.7139 -15.7138 -14.8147 -14.8146 -12.7637 -12.7634 -12.7348 -12.7345 -12.5319 -12.5317 -12.4913 -12.4911 -6.1484 -6.1481 -5.2102 -5.2101 -4.8814 -4.8808 -4.3944 -4.3941 -2.1881 -2.1862 -1.9816 -1.9785 -1.6149 -1.6130 -1.4949 -1.4910 1.6664 1.6693 1.7044 1.7088 2.1952 2.2054 2.9369 2.9396 3.4816 3.4872 3.6482 3.6485 4.2775 4.2776 4.4379 4.4404 5.3015 5.3018 5.5750 5.5796 5.6838 5.6840 6.0263 6.0281 6.4927 6.5013 6.5538 6.5543 6.6885 6.6904 6.9114 6.9144 14.5166 14.5171 15.0547 15.0558 16.7680 16.7707 16.8368 16.8377 17.4798 17.4807 17.4970 17.5005 k = 0.3661 0.3661-0.0000 ( 3028 PWs) bands (ev): -16.7963 -16.7963 -15.9180 -15.9180 -15.7139 -15.7138 -14.7409 -14.7408 -12.7599 -12.7596 -12.7279 -12.7277 -12.5312 -12.5310 -12.4858 -12.4857 -6.2267 -6.2264 -5.1908 -5.1907 -4.8776 -4.8770 -4.3510 -4.3508 -2.2318 -2.2300 -1.9985 -1.9952 -1.6535 -1.6516 -1.5157 -1.5116 1.6676 1.6719 1.7126 1.7159 2.1712 2.1818 2.9854 2.9884 3.4978 3.5037 3.6936 3.6938 4.3215 4.3218 4.4916 4.4939 5.2689 5.2692 5.5663 5.5711 5.6633 5.6635 6.0370 6.0389 6.4766 6.4857 6.5312 6.5319 6.6797 6.6818 6.9220 6.9251 14.4968 14.4974 15.1023 15.1035 16.6937 16.6965 16.7926 16.7935 17.4715 17.4751 17.5037 17.5046 k = 0.3571 0.3571-0.0000 ( 3028 PWs) bands (ev): -16.8518 -16.8517 -15.9128 -15.9128 -15.7141 -15.7140 -14.6672 -14.6671 -12.7558 -12.7555 -12.7208 -12.7206 -12.5302 -12.5300 -12.4801 -12.4800 -6.3062 -6.3060 -5.1709 -5.1708 -4.8740 -4.8734 -4.3079 -4.3077 -2.2771 -2.2751 -2.0160 -2.0125 -1.6937 -1.6917 -1.5370 -1.5327 1.6686 1.6742 1.7231 1.7253 2.1478 2.1587 3.0320 3.0351 3.5144 3.5205 3.7436 3.7436 4.3670 4.3675 4.5456 4.5475 5.2362 5.2366 5.5575 5.5624 5.6421 5.6422 6.0465 6.0486 6.4610 6.4705 6.5075 6.5083 6.6707 6.6729 6.9327 6.9358 14.4771 14.4777 15.1519 15.1532 16.6189 16.6219 16.7481 16.7489 17.4382 17.4422 17.5260 17.5271 k = 0.3482 0.3482-0.0000 ( 3028 PWs) bands (ev): -16.9062 -16.9062 -15.9074 -15.9074 -15.7143 -15.7142 -14.5934 -14.5933 -12.7512 -12.7509 -12.7135 -12.7132 -12.5288 -12.5286 -12.4741 -12.4739 -6.3869 -6.3867 -5.1507 -5.1506 -4.8707 -4.8700 -4.2649 -4.2647 -2.3235 -2.3216 -2.0339 -2.0303 -1.7350 -1.7330 -1.5585 -1.5541 1.6694 1.6761 1.7357 1.7370 2.1253 2.1364 3.0761 3.0794 3.5310 3.5373 3.7980 3.7982 4.4138 4.4143 4.5996 4.6012 5.2036 5.2040 5.5485 5.5534 5.6202 5.6202 6.0548 6.0571 6.4458 6.4559 6.4827 6.4839 6.6615 6.6638 6.9435 6.9466 14.4576 14.4582 15.2031 15.2044 16.5435 16.5467 16.7036 16.7043 17.3964 17.4006 17.5468 17.5481 k = 0.3393 0.3393-0.0000 ( 3032 PWs) bands (ev): -16.9596 -16.9595 -15.9019 -15.9018 -15.7146 -15.7144 -14.5198 -14.5196 -12.7462 -12.7459 -12.7060 -12.7057 -12.5270 -12.5268 -12.4678 -12.4677 -6.4687 -6.4684 -5.1304 -5.1303 -4.8677 -4.8669 -4.2222 -4.2220 -2.3710 -2.3690 -2.0523 -2.0486 -1.7773 -1.7753 -1.5802 -1.5757 1.6701 1.6777 1.7503 1.7509 2.1037 2.1150 3.1174 3.1207 3.5474 3.5538 3.8569 3.8573 4.4614 4.4621 4.6535 4.6547 5.1711 5.1716 5.5394 5.5443 5.5977 5.5978 6.0617 6.0641 6.4312 6.4418 6.4573 6.4588 6.6520 6.6545 6.9546 6.9578 14.4385 14.4391 15.2557 15.2570 16.4675 16.4709 16.6592 16.6598 17.3461 17.3505 17.5659 17.5675 k = 0.3304 0.3304-0.0000 ( 3032 PWs) bands (ev): -17.0118 -17.0118 -15.8962 -15.8961 -15.7149 -15.7148 -14.4462 -14.4461 -12.7407 -12.7404 -12.6983 -12.6980 -12.5249 -12.5247 -12.4613 -12.4611 -6.5512 -6.5510 -5.1102 -5.1100 -4.8651 -4.8643 -4.1796 -4.1794 -2.4193 -2.4172 -2.0712 -2.0674 -1.8203 -1.8182 -1.6019 -1.5972 1.6708 1.6790 1.7669 1.7670 2.0832 2.0946 3.1556 3.1590 3.5634 3.5700 3.9202 3.9208 4.5096 4.5105 4.7071 4.7078 5.1389 5.1394 5.5302 5.5352 5.5748 5.5751 6.0671 6.0696 6.4167 6.4281 6.4317 6.4337 6.6424 6.6452 6.9661 6.9693 14.4197 14.4204 15.3093 15.3106 16.3908 16.3943 16.6153 16.6159 17.2887 17.2932 17.5833 17.5851 k = 0.3214 0.3214-0.0000 ( 3040 PWs) bands (ev): -17.0630 -17.0629 -15.8904 -15.8903 -15.7153 -15.7152 -14.3729 -14.3727 -12.7348 -12.7345 -12.6905 -12.6902 -12.5222 -12.5220 -12.4546 -12.4544 -6.6346 -6.6344 -5.0901 -5.0900 -4.8629 -4.8621 -4.1372 -4.1370 -2.4681 -2.4660 -2.0907 -2.0868 -1.8635 -1.8614 -1.6234 -1.6186 1.6714 1.6802 1.7849 1.7854 2.0638 2.0754 3.1906 3.1940 3.5787 3.5854 3.9875 3.9882 4.5581 4.5592 4.7604 4.7605 5.1071 5.1077 5.5211 5.5259 5.5516 5.5520 6.0705 6.0732 6.4005 6.4047 6.4108 6.4162 6.6328 6.6357 6.9781 6.9814 14.4015 14.4021 15.3634 15.3648 16.3132 16.3170 16.5721 16.5726 17.2261 17.2306 17.5988 17.6009 k = 0.3125 0.3125-0.0000 ( 3028 PWs) bands (ev): -17.1129 -17.1129 -15.8845 -15.8844 -15.7158 -15.7156 -14.2998 -14.2996 -12.7284 -12.7281 -12.6826 -12.6823 -12.5191 -12.5189 -12.4476 -12.4474 -6.7185 -6.7184 -5.0705 -5.0703 -4.8612 -4.8604 -4.0949 -4.0948 -2.5172 -2.5151 -2.1110 -2.1069 -1.9065 -1.9043 -1.6447 -1.6398 1.6721 1.6814 1.8046 1.8055 2.0458 2.0575 3.2224 3.2258 3.5931 3.5999 4.0585 4.0593 4.6065 4.6079 4.8127 4.8132 5.0758 5.0765 5.5121 5.5165 5.5285 5.5288 6.0719 6.0747 6.3782 6.3788 6.3950 6.4042 6.6233 6.6263 6.9907 6.9940 14.3838 14.3844 15.4179 15.4193 16.2348 16.2387 16.5299 16.5303 17.1604 17.1650 17.6125 17.6149 k = 0.3036 0.3036-0.0000 ( 3034 PWs) bands (ev): -17.1617 -17.1617 -15.8785 -15.8784 -15.7163 -15.7162 -14.2270 -14.2268 -12.7216 -12.7212 -12.6747 -12.6744 -12.5155 -12.5152 -12.4405 -12.4403 -6.8030 -6.8028 -5.0514 -5.0512 -4.8601 -4.8592 -4.0529 -4.0527 -2.5665 -2.5644 -2.1324 -2.1283 -1.9484 -1.9462 -1.6656 -1.6606 1.6731 1.6827 1.8259 1.8272 2.0291 2.0409 3.2511 3.2544 3.6063 3.6132 4.1325 4.1335 4.6546 4.6562 4.8643 4.8654 5.0453 5.0460 5.5029 5.5030 5.5060 5.5096 6.0705 6.0734 6.3536 6.3539 6.3826 6.3930 6.6137 6.6169 7.0040 7.0074 14.3665 14.3672 15.4719 15.4733 16.1555 16.1597 16.4888 16.4890 17.0937 17.0983 17.6243 17.6270 k = 0.2946 0.2946-0.0000 ( 3030 PWs) bands (ev): -17.2094 -17.2093 -15.8724 -15.8724 -15.7169 -15.7168 -14.1546 -14.1544 -12.7142 -12.7138 -12.6668 -12.6665 -12.5113 -12.5111 -12.4332 -12.4330 -6.8878 -6.8876 -5.0331 -5.0328 -4.8595 -4.8587 -4.0110 -4.0108 -2.6157 -2.6136 -2.1556 -2.1515 -1.9885 -1.9862 -1.6860 -1.6810 1.6742 1.6841 1.8486 1.8502 2.0139 2.0257 3.2768 3.2800 3.6181 3.6251 4.2090 4.2101 4.7019 4.7037 4.9152 4.9169 5.0159 5.0166 5.4805 5.4820 5.4953 5.5001 6.0661 6.0690 6.3298 6.3305 6.3714 6.3826 6.6044 6.6077 7.0182 7.0216 14.3499 14.3505 15.5249 15.5263 16.0758 16.0801 16.4491 16.4492 17.0277 17.0322 17.6343 17.6374 k = 0.2857 0.2857-0.0000 ( 3030 PWs) bands (ev): -17.2558 -17.2557 -15.8664 -15.8663 -15.7177 -15.7175 -14.0826 -14.0825 -12.7064 -12.7060 -12.6589 -12.6586 -12.5067 -12.5064 -12.4257 -12.4255 -6.9728 -6.9727 -5.0156 -5.0154 -4.8597 -4.8588 -3.9693 -3.9691 -2.6646 -2.6625 -2.1815 -2.1775 -2.0257 -2.0232 -1.7059 -1.7008 1.6756 1.6858 1.8726 1.8744 2.0002 2.0121 3.2995 3.3027 3.6283 3.6354 4.2874 4.2886 4.7483 4.7503 4.9650 4.9672 4.9879 4.9888 5.4574 5.4590 5.4874 5.4920 6.0579 6.0607 6.3082 6.3090 6.3611 6.3728 6.5952 6.5987 7.0332 7.0367 14.3337 14.3344 15.5756 15.5769 15.9964 16.0008 16.4108 16.4109 16.9635 16.9680 17.6426 17.6460 k = 0.2768 0.2768-0.0000 ( 3040 PWs) bands (ev): -17.3009 -17.3009 -15.8603 -15.8603 -15.7185 -15.7183 -14.0111 -14.0110 -12.6981 -12.6977 -12.6511 -12.6507 -12.5015 -12.5013 -12.4181 -12.4179 -7.0580 -7.0578 -4.9993 -4.9991 -4.8604 -4.8595 -3.9278 -3.9277 -2.7130 -2.7109 -2.2108 -2.2070 -2.0586 -2.0559 -1.7252 -1.7200 1.6774 1.6878 1.8976 1.8997 1.9881 2.0000 3.3195 3.3225 3.6367 3.6439 4.3667 4.3680 4.7935 4.7955 4.9609 4.9614 5.0146 5.0179 5.4344 5.4362 5.4805 5.4847 6.0454 6.0481 6.2893 6.2901 6.3514 6.3636 6.5862 6.5899 7.0493 7.0527 14.3180 14.3187 15.6211 15.6224 15.9197 15.9242 16.3742 16.3742 16.9022 16.9066 17.6491 17.6529 k = 0.2679 0.2679-0.0000 ( 3044 PWs) bands (ev): -17.3448 -17.3448 -15.8543 -15.8542 -15.7193 -15.7192 -13.9402 -13.9401 -12.6893 -12.6889 -12.6433 -12.6430 -12.4959 -12.4956 -12.4104 -12.4101 -7.1431 -7.1429 -4.9842 -4.9840 -4.8619 -4.8610 -3.8866 -3.8865 -2.7608 -2.7587 -2.2442 -2.2406 -2.0866 -2.0836 -1.7437 -1.7385 1.6796 1.6901 1.9235 1.9258 1.9776 1.9896 3.3369 3.3397 3.6432 3.6505 4.4459 4.4475 4.8371 4.8391 4.9370 4.9373 5.0623 5.0662 5.4118 5.4138 5.4749 5.4788 6.0284 6.0308 6.2736 6.2743 6.3423 6.3549 6.5776 6.5814 7.0663 7.0698 14.3028 14.3034 15.6532 15.6545 15.8536 15.8581 16.3394 16.3395 16.8445 16.8489 17.6539 17.6581 k = 0.2589 0.2589-0.0000 ( 3044 PWs) bands (ev): -17.3875 -17.3875 -15.8483 -15.8482 -15.7203 -15.7202 -13.8699 -13.8698 -12.6800 -12.6796 -12.6356 -12.6352 -12.4898 -12.4895 -12.4025 -12.4023 -7.2280 -7.2279 -4.9705 -4.9703 -4.8640 -4.8631 -3.8458 -3.8456 -2.8078 -2.8058 -2.2814 -2.2781 -2.1096 -2.1063 -1.7614 -1.7563 1.6823 1.6928 1.9499 1.9526 1.9689 1.9809 3.3517 3.3544 3.6476 3.6549 4.5233 4.5252 4.8790 4.8807 4.9170 4.9171 5.1081 5.1126 5.3897 5.3919 5.4713 5.4749 6.0070 6.0090 6.2612 6.2616 6.3337 6.3468 6.5694 6.5733 7.0846 7.0880 14.2880 14.2886 15.6483 15.6504 15.8216 15.8253 16.3066 16.3068 16.7911 16.7953 17.6571 17.6618 k = 0.2500 0.2500-0.0000 ( 3052 PWs) bands (ev): -17.4288 -17.4288 -15.8424 -15.8423 -15.7214 -15.7212 -13.8004 -13.8002 -12.6703 -12.6700 -12.6279 -12.6276 -12.4833 -12.4830 -12.3946 -12.3944 -7.3125 -7.3124 -4.9583 -4.9580 -4.8669 -4.8660 -3.8052 -3.8051 -2.8539 -2.8519 -2.3217 -2.3185 -2.1282 -2.1247 -1.7783 -1.7731 1.6854 1.6961 1.9615 1.9723 1.9785 1.9801 3.3642 3.3667 3.6497 3.6571 4.5957 4.5980 4.9022 4.9029 4.9194 4.9221 5.1511 5.1560 5.3682 5.3707 5.4707 5.4739 5.9814 5.9830 6.2516 6.2518 6.3256 6.3391 6.5615 6.5656 7.1039 7.1074 14.2735 14.2741 15.5946 15.5976 15.8351 15.8378 16.2758 16.2762 16.7422 16.7463 17.6585 17.6640 k = 0.2411 0.2411-0.0000 ( 3064 PWs) bands (ev): -17.4689 -17.4688 -15.8366 -15.8365 -15.7225 -15.7224 -13.7316 -13.7314 -12.6602 -12.6599 -12.6203 -12.6200 -12.4764 -12.4762 -12.3866 -12.3864 -7.3967 -7.3966 -4.9477 -4.9474 -4.8704 -4.8695 -3.7651 -3.7650 -2.8989 -2.8969 -2.3639 -2.3610 -2.1431 -2.1395 -1.7942 -1.7892 1.6892 1.6999 1.9562 1.9679 2.0047 2.0076 3.3744 3.3767 3.6495 3.6570 4.6567 4.6596 4.9017 4.9020 4.9576 4.9594 5.1898 5.1950 5.3475 5.3502 5.4743 5.4773 5.9524 5.9536 6.2443 6.2444 6.3178 6.3317 6.5540 6.5582 7.1243 7.1278 14.2593 14.2599 15.5182 15.5217 15.8677 15.8698 16.2474 16.2478 16.6982 16.7021 17.6584 17.6646 k = 0.2321 0.2321-0.0000 ( 3064 PWs) bands (ev): -17.5076 -17.5076 -15.8308 -15.8308 -15.7237 -15.7235 -13.6636 -13.6635 -12.6497 -12.6494 -12.6128 -12.6125 -12.4693 -12.4690 -12.3786 -12.3783 -7.4801 -7.4801 -4.9388 -4.9384 -4.8747 -4.8738 -3.7254 -3.7253 -2.9426 -2.9407 -2.4073 -2.4046 -2.1551 -2.1513 -1.8093 -1.8043 1.6935 1.7043 1.9526 1.9644 2.0320 2.0352 3.3825 3.3846 3.6469 3.6544 4.6966 4.7001 4.9225 4.9234 4.9940 4.9953 5.2227 5.2278 5.3278 5.3308 5.4841 5.4871 5.9207 5.9215 6.2387 6.2390 6.3104 6.3246 6.5469 6.5512 7.1459 7.1493 14.2453 14.2459 15.4346 15.4382 15.9038 15.9055 16.2212 16.2217 16.6596 16.6631 17.6517 17.6636 k = 0.2232 0.2232-0.0000 ( 3056 PWs) bands (ev): -17.5449 -17.5449 -15.8252 -15.8251 -15.7249 -15.7248 -13.5966 -13.5965 -12.6389 -12.6385 -12.6053 -12.6050 -12.4620 -12.4617 -12.3705 -12.3702 -7.5628 -7.5628 -4.9315 -4.9312 -4.8796 -4.8787 -3.6863 -3.6862 -2.9851 -2.9832 -2.4513 -2.4487 -2.1645 -2.1607 -1.8234 -1.8184 1.6986 1.7094 1.9508 1.9625 2.0591 2.0626 3.3885 3.3904 3.6419 3.6494 4.7116 4.7152 4.9691 4.9701 5.0285 5.0291 5.2479 5.2525 5.3093 5.3126 5.5015 5.5047 5.8869 5.8874 6.2343 6.2349 6.3032 6.3178 6.5403 6.5446 7.1684 7.1718 14.2315 14.2321 15.3482 15.3519 15.9387 15.9400 16.1974 16.1980 16.6264 16.6296 17.6419 17.6518 k = 0.2143 0.2143-0.0000 ( 3056 PWs) bands (ev): -17.5809 -17.5809 -15.8198 -15.8197 -15.7263 -15.7261 -13.5306 -13.5304 -12.6277 -12.6274 -12.5978 -12.5975 -12.4545 -12.4542 -12.3623 -12.3620 -7.6446 -7.6446 -4.9261 -4.9257 -4.8851 -4.8842 -3.6477 -3.6476 -3.0262 -3.0243 -2.4953 -2.4928 -2.1718 -2.1679 -1.8365 -1.8316 1.7044 1.7151 1.9507 1.9625 2.0859 2.0895 3.3926 3.3943 3.6343 3.6419 4.7099 4.7134 5.0320 5.0328 5.0611 5.0614 5.2652 5.2688 5.2927 5.2962 5.5269 5.5307 5.8515 5.8517 6.2308 6.2316 6.2962 6.3111 6.5340 6.5384 7.1920 7.1953 14.2178 14.2183 15.2609 15.2645 15.9702 15.9712 16.1760 16.1767 16.5989 16.6018 17.6501 17.6583 k = 0.2054 0.2054-0.0000 ( 3054 PWs) bands (ev): -17.6156 -17.6156 -15.8145 -15.8144 -15.7276 -15.7275 -13.4656 -13.4655 -12.6163 -12.6160 -12.5904 -12.5901 -12.4469 -12.4466 -12.3542 -12.3539 -7.7253 -7.7253 -4.9223 -4.9220 -4.8913 -4.8904 -3.6098 -3.6098 -3.0657 -3.0639 -2.5390 -2.5366 -2.1772 -2.1732 -1.8486 -1.8438 1.7110 1.7217 1.9525 1.9642 2.1120 2.1159 3.3949 3.3965 3.6243 3.6320 4.7006 4.7039 5.0872 5.0886 5.1042 5.1048 5.2746 5.2768 5.2807 5.2842 5.5595 5.5639 5.8151 5.8151 6.2280 6.2290 6.2895 6.3047 6.5281 6.5325 7.2163 7.2196 14.2040 14.2046 15.1736 15.1771 15.9973 15.9979 16.1571 16.1579 16.5774 16.5798 17.6258 17.6264 k = 0.1964 0.1964-0.0000 ( 3054 PWs) bands (ev): -17.6488 -17.6488 -15.8093 -15.8092 -15.7291 -15.7289 -13.4018 -13.4017 -12.6047 -12.6043 -12.5830 -12.5827 -12.4393 -12.4390 -12.3461 -12.3458 -7.8048 -7.8048 -4.9203 -4.9200 -4.8979 -4.8971 -3.5727 -3.5726 -3.1037 -3.1019 -2.5820 -2.5797 -2.1808 -2.1769 -1.8598 -1.8551 1.7183 1.7290 1.9561 1.9676 2.1372 2.1413 3.3956 3.3969 3.6119 3.6196 4.6882 4.6914 5.1148 5.1180 5.1663 5.1677 5.2746 5.2759 5.2835 5.2847 5.5972 5.6023 5.7779 5.7781 6.2256 6.2267 6.2829 6.2984 6.5225 6.5269 7.2414 7.2446 14.1904 14.1909 15.0869 15.0903 16.0193 16.0196 16.1406 16.1415 16.5617 16.5637 17.6193 17.6199 k = 0.1875 0.1875-0.0000 ( 3056 PWs) bands (ev): -17.6807 -17.6807 -15.8044 -15.8043 -15.7305 -15.7304 -13.3393 -13.3392 -12.5929 -12.5926 -12.5756 -12.5753 -12.4319 -12.4316 -12.3379 -12.3376 -7.8829 -7.8828 -4.9200 -4.9196 -4.9051 -4.9043 -3.5364 -3.5363 -3.1401 -3.1384 -2.6243 -2.6221 -2.1828 -2.1789 -1.8701 -1.8655 1.7266 1.7372 1.9615 1.9729 2.1613 2.1656 3.3947 3.3959 3.5972 3.6048 4.6751 4.6783 5.1379 5.1431 5.2005 5.2036 5.2831 5.2857 5.3036 5.3041 5.6381 5.6439 5.7406 5.7410 6.2235 6.2246 6.2765 6.2923 6.5172 6.5216 7.2671 7.2701 14.1766 14.1771 15.0012 15.0045 16.0359 16.0360 16.1265 16.1274 16.5518 16.5533 17.6136 17.6143 k = 0.1786 0.1786-0.0000 ( 3056 PWs) bands (ev): -17.7111 -17.7111 -15.7996 -15.7995 -15.7320 -15.7319 -13.2782 -13.2780 -12.5811 -12.5808 -12.5682 -12.5679 -12.4245 -12.4243 -12.3299 -12.3296 -7.9593 -7.9593 -4.9212 -4.9209 -4.9127 -4.9119 -3.5010 -3.5009 -3.1749 -3.1732 -2.6655 -2.6633 -2.1834 -2.1796 -1.8794 -1.8749 1.7357 1.7463 1.9686 1.9799 2.1841 2.1886 3.3925 3.3935 3.5801 3.5878 4.6624 4.6655 5.1568 5.1644 5.2018 5.2056 5.2851 5.2903 5.3625 5.3628 5.6809 5.6873 5.7039 5.7044 6.2215 6.2227 6.2704 6.2863 6.5121 6.5164 7.2931 7.2961 14.1628 14.1633 14.9170 14.9202 16.0470 16.0475 16.1146 16.1157 16.5472 16.5483 17.6090 17.6095 k = 0.1696 0.1696-0.0000 ( 3050 PWs) bands (ev): -17.7402 -17.7402 -15.7951 -15.7950 -15.7335 -15.7334 -13.2184 -13.2183 -12.5692 -12.5689 -12.5609 -12.5606 -12.4174 -12.4171 -12.3219 -12.3216 -8.0340 -8.0340 -4.9239 -4.9236 -4.9207 -4.9199 -3.4665 -3.4665 -3.2079 -3.2063 -2.7055 -2.7034 -2.1827 -2.1790 -1.8878 -1.8834 1.7458 1.7563 1.9774 1.9886 2.2053 2.2100 3.3891 3.3900 3.5610 3.5687 4.6507 4.6537 5.1706 5.1801 5.1938 5.1974 5.2887 5.2963 5.4296 5.4303 5.6691 5.6697 5.7245 5.7313 6.2196 6.2209 6.2646 6.2807 6.5072 6.5114 7.3194 7.3223 14.1489 14.1494 14.8347 14.8378 16.0533 16.0541 16.1050 16.1061 16.5472 16.5478 17.6054 17.6110 k = 0.1607 0.1607-0.0000 ( 3054 PWs) bands (ev): -17.7678 -17.7678 -15.7907 -15.7906 -15.7350 -15.7349 -13.1603 -13.1602 -12.5575 -12.5572 -12.5536 -12.5533 -12.4106 -12.4103 -12.3140 -12.3137 -8.1068 -8.1068 -4.9290 -4.9283 -4.9279 -4.9275 -3.4332 -3.4332 -3.2393 -3.2378 -2.7441 -2.7422 -2.1808 -2.1772 -1.8953 -1.8911 1.7567 1.7671 1.9879 1.9990 2.2246 2.2296 3.3847 3.3854 3.5398 3.5475 4.6403 4.6432 5.1779 5.1807 5.1880 5.1925 5.2961 5.3053 5.4916 5.4927 5.6412 5.6416 5.7680 5.7752 6.2177 6.2190 6.2591 6.2752 6.5024 6.5065 7.3458 7.3485 14.1349 14.1354 14.7546 14.7575 16.0555 16.0566 16.0975 16.0987 16.5508 16.5510 17.6024 17.6026 k = 0.1518 0.1518-0.0000 ( 3058 PWs) bands (ev): -17.7940 -17.7940 -15.7866 -15.7865 -15.7366 -15.7365 -13.1038 -13.1037 -12.5463 -12.5461 -12.5459 -12.5456 -12.4041 -12.4038 -12.3062 -12.3059 -8.1774 -8.1774 -4.9375 -4.9367 -4.9331 -4.9328 -3.4011 -3.4011 -3.2690 -3.2675 -2.7813 -2.7795 -2.1780 -2.1744 -1.9020 -1.8980 1.7686 1.7789 2.0001 2.0109 2.2421 2.2473 3.3794 3.3799 3.5169 3.5245 4.6314 4.6343 5.1704 5.1737 5.1848 5.1957 5.3079 5.3175 5.5272 5.5289 5.6389 5.6390 5.8110 5.8185 6.2159 6.2172 6.2540 6.2701 6.4978 6.5016 7.3721 7.3746 14.1210 14.1214 14.6769 14.6797 16.0545 16.0558 16.0919 16.0931 16.5570 16.5570 17.5994 17.6008 k = 0.1429 0.1429-0.0000 ( 3060 PWs) bands (ev): -17.8187 -17.8187 -15.7827 -15.7826 -15.7381 -15.7380 -13.0491 -13.0490 -12.5392 -12.5389 -12.5346 -12.5343 -12.3979 -12.3976 -12.2986 -12.2983 -8.2457 -8.2457 -4.9461 -4.9454 -4.9393 -4.9390 -3.3702 -3.3702 -3.2970 -3.2956 -2.8169 -2.8152 -2.1742 -2.1708 -1.9080 -1.9041 1.7814 1.7916 2.0137 2.0243 2.2574 2.2628 3.3733 3.3738 3.4923 3.4999 4.6242 4.6271 5.1601 5.1640 5.1835 5.1945 5.3229 5.3321 5.5172 5.5191 5.6808 5.6808 5.8530 5.8608 6.2141 6.2153 6.2492 6.2653 6.4932 6.4968 7.3980 7.4004 14.1070 14.1074 14.6020 14.6047 16.0510 16.0526 16.0880 16.0893 16.5648 16.5650 17.5967 17.6048 k = 0.1339 0.1339-0.0000 ( 3064 PWs) bands (ev): -17.8420 -17.8420 -15.7790 -15.7789 -15.7396 -15.7395 -12.9962 -12.9962 -12.5321 -12.5319 -12.5236 -12.5234 -12.3921 -12.3919 -12.2912 -12.2909 -8.3114 -8.3114 -4.9547 -4.9541 -4.9463 -4.9460 -3.3407 -3.3406 -3.3233 -3.3218 -2.8508 -2.8492 -2.1697 -2.1664 -1.9132 -1.9095 1.7951 1.8051 2.0288 2.0392 2.2704 2.2760 3.3667 3.3671 3.4663 3.4738 4.6189 4.6217 5.1502 5.1543 5.1800 5.1904 5.3397 5.3481 5.4881 5.4900 5.7398 5.7401 5.8937 5.9016 6.2122 6.2134 6.2450 6.2609 6.4886 6.4919 7.4235 7.4258 14.0932 14.0935 14.5302 14.5327 16.0459 16.0475 16.0856 16.0869 16.5736 16.5740 17.5901 17.5976 k = 0.1250 0.1250-0.0000 ( 3060 PWs) bands (ev): -17.8638 -17.8638 -15.7756 -15.7755 -15.7410 -15.7409 -12.9454 -12.9454 -12.5252 -12.5250 -12.5131 -12.5129 -12.3867 -12.3865 -12.2840 -12.2838 -8.3744 -8.3744 -4.9634 -4.9627 -4.9540 -4.9537 -3.3478 -3.3466 -3.3125 -3.3124 -2.8829 -2.8814 -2.1646 -2.1615 -1.9177 -1.9143 1.8097 1.8195 2.0452 2.0553 2.2811 2.2868 3.3597 3.3600 3.4392 3.4466 4.6154 4.6181 5.1411 5.1452 5.1751 5.1846 5.3571 5.3646 5.4545 5.4565 5.8011 5.8016 5.9329 5.9408 6.2104 6.2116 6.2414 6.2569 6.4840 6.4869 7.4483 7.4504 14.0795 14.0799 14.4618 14.4641 16.0397 16.0414 16.0846 16.0858 16.5829 16.5834 17.5842 17.5911 k = 0.1161 0.1161-0.0000 ( 3059 PWs) bands (ev): -17.8842 -17.8842 -15.7724 -15.7723 -15.7424 -15.7423 -12.8967 -12.8967 -12.5185 -12.5183 -12.5032 -12.5030 -12.3818 -12.3816 -12.2771 -12.2769 -8.4344 -8.4344 -4.9719 -4.9713 -4.9622 -4.9619 -3.3707 -3.3695 -3.2858 -3.2858 -2.9131 -2.9117 -2.1592 -2.1562 -1.9216 -1.9184 1.8250 1.8347 2.0627 2.0725 2.2894 2.2952 3.3524 3.3527 3.4113 3.4184 4.6139 4.6165 5.1328 5.1368 5.1692 5.1778 5.3742 5.3810 5.4199 5.4222 5.8608 5.8616 5.9703 5.9781 6.2086 6.2097 6.2384 6.2535 6.4794 6.4818 7.4723 7.4743 14.0661 14.0664 14.3969 14.3991 16.0329 16.0346 16.0846 16.0858 16.5921 16.5927 17.5791 17.5857 k = 0.1071 0.1071-0.0000 ( 3059 PWs) bands (ev): -17.9030 -17.9030 -15.7694 -15.7693 -15.7438 -15.7437 -12.8503 -12.8503 -12.5120 -12.5118 -12.4939 -12.4938 -12.3773 -12.3771 -12.2705 -12.2703 -8.4912 -8.4912 -4.9801 -4.9796 -4.9706 -4.9703 -3.3918 -3.3908 -3.2608 -3.2608 -2.9414 -2.9401 -2.1534 -2.1506 -1.9250 -1.9220 1.8411 1.8505 2.0812 2.0907 2.2952 2.3012 3.3448 3.3453 3.3830 3.3897 4.6142 4.6167 5.1251 5.1292 5.1628 5.1706 5.3839 5.3854 5.3948 5.3970 5.9178 5.9188 6.0058 6.0132 6.2069 6.2079 6.2362 6.2505 6.4747 6.4767 7.4953 7.4971 14.0531 14.0534 14.3358 14.3378 16.0259 16.0275 16.0854 16.0867 16.6010 16.6016 17.5753 17.5816 k = 0.0982 0.0982-0.0000 ( 3063 PWs) bands (ev): -17.9204 -17.9204 -15.7667 -15.7666 -15.7450 -15.7450 -12.8063 -12.8063 -12.5057 -12.5055 -12.4855 -12.4854 -12.3733 -12.3731 -12.2642 -12.2640 -8.5446 -8.5446 -4.9881 -4.9876 -4.9790 -4.9788 -3.4113 -3.4103 -3.2375 -3.2374 -2.9677 -2.9664 -2.1475 -2.1449 -1.9279 -1.9251 1.8577 1.8669 2.1004 2.1095 2.2987 2.3048 3.3364 3.3377 3.3552 3.3610 4.6163 4.6187 5.1183 5.1223 5.1563 5.1633 5.3516 5.3529 5.4081 5.4122 5.9713 5.9727 6.0392 6.0459 6.2052 6.2062 6.2349 6.2482 6.4700 6.4714 7.5171 7.5187 14.0405 14.0408 14.2787 14.2806 16.0189 16.0205 16.0868 16.0880 16.6093 16.6099 17.5731 17.5790 k = 0.0893 0.0893-0.0000 ( 3065 PWs) bands (ev): -17.9363 -17.9363 -15.7642 -15.7641 -15.7463 -15.7462 -12.7648 -12.7648 -12.4997 -12.4996 -12.4780 -12.4779 -12.3696 -12.3695 -12.2583 -12.2582 -8.5944 -8.5944 -4.9957 -4.9953 -4.9874 -4.9872 -3.4291 -3.4282 -3.2159 -3.2158 -2.9918 -2.9907 -2.1416 -2.1392 -1.9303 -1.9277 1.8749 1.8838 2.1202 2.1288 2.2999 2.3060 3.3209 3.3270 3.3349 3.3354 4.6200 4.6223 5.1122 5.1161 5.1499 5.1562 5.3187 5.3203 5.4228 5.4264 6.0207 6.0228 6.0703 6.0758 6.2036 6.2046 6.2346 6.2466 6.4653 6.4661 7.5375 7.5391 14.0285 14.0288 14.2258 14.2275 16.0121 16.0136 16.0886 16.0898 16.6169 16.6174 17.5724 17.5781 k = 0.0804 0.0804-0.0000 ( 3061 PWs) bands (ev): -17.9507 -17.9507 -15.7619 -15.7619 -15.7474 -15.7473 -12.7259 -12.7259 -12.4941 -12.4940 -12.4716 -12.4715 -12.3665 -12.3663 -12.2529 -12.2527 -8.6403 -8.6403 -5.0029 -5.0024 -4.9956 -4.9954 -3.4452 -3.4444 -3.1961 -3.1961 -3.0138 -3.0128 -2.1358 -2.1337 -1.9323 -1.9299 1.8923 1.9009 2.1401 2.1482 2.2990 2.3051 3.2947 3.3016 3.3254 3.3261 4.6253 4.6274 5.1069 5.1106 5.1439 5.1494 5.2872 5.2888 5.4366 5.4397 6.0655 6.0688 6.0993 6.1026 6.2022 6.2031 6.2355 6.2459 6.4605 6.4607 7.5566 7.5580 14.0173 14.0175 14.1774 14.1789 16.0057 16.0071 16.0906 16.0918 16.6237 16.6242 17.5736 17.5789 k = 0.0714 0.0714-0.0000 ( 3069 PWs) bands (ev): -17.9636 -17.9636 -15.7599 -15.7599 -15.7484 -15.7484 -12.6899 -12.6898 -12.4890 -12.4888 -12.4664 -12.4663 -12.3637 -12.3636 -12.2479 -12.2478 -8.6821 -8.6821 -5.0095 -5.0091 -5.0033 -5.0031 -3.4596 -3.4588 -3.1782 -3.1782 -3.0337 -3.0327 -2.1303 -2.1284 -1.9339 -1.9318 1.9098 1.9181 2.1598 2.1674 2.2963 2.3022 3.2677 3.2742 3.3187 3.3192 4.6318 4.6338 5.1023 5.1059 5.1382 5.1430 5.2571 5.2588 5.4492 5.4517 6.1042 6.1102 6.1260 6.1268 6.2011 6.2018 6.2381 6.2462 6.4553 6.4556 7.5740 7.5752 14.0068 14.0070 14.1335 14.1349 15.9999 16.0011 16.0926 16.0937 16.6298 16.6302 17.5765 17.5814 k = 0.0625 0.0625-0.0000 ( 3061 PWs) bands (ev): -17.9750 -17.9750 -15.7582 -15.7581 -15.7493 -15.7493 -12.6567 -12.6567 -12.4842 -12.4841 -12.4624 -12.4624 -12.3613 -12.3612 -12.2434 -12.2433 -8.7196 -8.7195 -5.0155 -5.0151 -5.0105 -5.0103 -3.4723 -3.4716 -3.1622 -3.1622 -3.0512 -3.0504 -2.1251 -2.1234 -1.9352 -1.9334 1.9272 1.9350 2.1790 2.1859 2.2919 2.2976 3.2419 3.2478 3.3127 3.3132 4.6393 4.6411 5.0984 5.1018 5.1330 5.1372 5.2288 5.2306 5.4605 5.4625 6.1345 6.1454 6.1467 6.1542 6.2006 6.2011 6.2425 6.2480 6.4499 6.4509 7.5896 7.5907 13.9973 13.9975 14.0945 14.0957 15.9946 15.9957 16.0947 16.0956 16.6351 16.6355 17.5809 17.5855 k = 0.0536 0.0536-0.0000 ( 3067 PWs) bands (ev): -17.9848 -17.9848 -15.7566 -15.7566 -15.7502 -15.7501 -12.6266 -12.6265 -12.4800 -12.4799 -12.4599 -12.4598 -12.3594 -12.3593 -12.2395 -12.2394 -8.7525 -8.7525 -5.0208 -5.0205 -5.0170 -5.0168 -3.4833 -3.4828 -3.1483 -3.1483 -3.0665 -3.0658 -2.1205 -2.1190 -1.9363 -1.9347 1.9441 1.9513 2.1973 2.2033 2.2863 2.2917 3.2179 3.2232 3.3074 3.3079 4.6474 4.6490 5.0952 5.0985 5.1284 5.1319 5.2027 5.2045 5.4704 5.4720 6.1558 6.1607 6.1762 6.1797 6.2021 6.2024 6.2489 6.2517 6.4448 6.4462 7.6035 7.6044 13.9888 13.9890 14.0603 14.0613 15.9899 15.9909 16.0965 16.0973 16.6395 16.6399 17.5866 17.5907 k = 0.0446 0.0446-0.0000 ( 3071 PWs) bands (ev): -17.9932 -17.9932 -15.7553 -15.7553 -15.7509 -15.7508 -12.5996 -12.5995 -12.4763 -12.4762 -12.4588 -12.4587 -12.3577 -12.3577 -12.2361 -12.2360 -8.7808 -8.7808 -5.0254 -5.0252 -5.0226 -5.0225 -3.4926 -3.4922 -3.1364 -3.1364 -3.0795 -3.0789 -2.1163 -2.1151 -1.9371 -1.9358 1.9601 1.9666 2.2140 2.2192 2.2801 2.2850 3.1963 3.2010 3.3029 3.3032 4.6557 4.6570 5.0929 5.0960 5.1244 5.1273 5.1791 5.1810 5.4788 5.4801 6.1708 6.1720 6.1907 6.1924 6.2135 6.2136 6.2570 6.2577 6.4399 6.4417 7.6154 7.6162 13.9815 13.9816 14.0312 14.0320 15.9860 15.9868 16.0980 16.0987 16.6433 16.6436 17.5931 17.5967 k = 0.0357 0.0357-0.0000 ( 3077 PWs) bands (ev): -18.0000 -18.0000 -15.7543 -15.7543 -15.7514 -15.7514 -12.5760 -12.5759 -12.4732 -12.4731 -12.4592 -12.4591 -12.3565 -12.3564 -12.2333 -12.2332 -8.8042 -8.8041 -5.0293 -5.0291 -5.0274 -5.0273 -3.5003 -3.4999 -3.1267 -3.1267 -3.0901 -3.0896 -2.1128 -2.1118 -1.9377 -1.9366 1.9747 1.9803 2.2288 2.2330 2.2737 2.2779 3.1778 3.1816 3.2990 3.2993 4.6635 4.6647 5.0913 5.0943 5.1212 5.1235 5.1584 5.1603 5.4858 5.4867 6.1799 6.1808 6.1930 6.1941 6.2309 6.2322 6.2659 6.2662 6.4356 6.4375 7.6252 7.6258 13.9754 13.9755 14.0072 14.0079 15.9827 15.9833 16.0993 16.0999 16.6463 16.6465 17.5999 17.6029 k = 0.0268 0.0268-0.0000 ( 3077 PWs) bands (ev): -18.0054 -18.0054 -15.7535 -15.7535 -15.7519 -15.7519 -12.5560 -12.5559 -12.4707 -12.4707 -12.4609 -12.4609 -12.3555 -12.3554 -12.2311 -12.2311 -8.8225 -8.8225 -5.0323 -5.0322 -5.0312 -5.0311 -3.5062 -3.5059 -3.1191 -3.1191 -3.0984 -3.0980 -2.1100 -2.1092 -1.9381 -1.9373 1.9873 1.9918 2.2411 2.2441 2.2679 2.2711 3.1627 3.1657 3.2960 3.2962 4.6705 4.6714 5.0906 5.0934 5.1187 5.1203 5.1410 5.1430 5.4913 5.4919 6.1853 6.1868 6.1933 6.1942 6.2450 6.2473 6.2751 6.2754 6.4320 6.4337 7.6330 7.6335 13.9705 13.9706 13.9885 13.9890 15.9801 15.9806 16.1004 16.1008 16.6486 16.6488 17.6058 17.6084 k = 0.0179 0.0179-0.0000 ( 3081 PWs) bands (ev): -18.0092 -18.0092 -15.7529 -15.7529 -15.7522 -15.7522 -12.5402 -12.5401 -12.4690 -12.4689 -12.4636 -12.4636 -12.3548 -12.3548 -12.2295 -12.2295 -8.8357 -8.8357 -5.0345 -5.0344 -5.0339 -5.0339 -3.5104 -3.5102 -3.1138 -3.1138 -3.1041 -3.1038 -2.1079 -2.1074 -1.9384 -1.9378 1.9973 2.0005 2.2505 2.2520 2.2635 2.2653 3.1518 3.1538 3.2938 3.2940 4.6761 4.6767 5.0910 5.0933 5.1170 5.1180 5.1275 5.1294 5.4952 5.4956 6.1887 6.1899 6.1934 6.1944 6.2550 6.2574 6.2834 6.2834 6.4293 6.4307 7.6386 7.6389 13.9670 13.9671 13.9751 13.9754 15.9783 15.9786 16.1011 16.1014 16.6503 16.6504 17.6113 17.6146 k = 0.0089 0.0089-0.0000 ( 3085 PWs) bands (ev): -18.0115 -18.0115 -15.7526 -15.7526 -15.7524 -15.7523 -12.5295 -12.5295 -12.4679 -12.4679 -12.4662 -12.4662 -12.3544 -12.3544 -12.2286 -12.2285 -8.8436 -8.8436 -5.0359 -5.0358 -5.0355 -5.0355 -3.5130 -3.5129 -3.1112 -3.1112 -3.1069 -3.1068 -2.1066 -2.1063 -1.9384 -1.9382 2.0040 2.0057 2.2559 2.2560 2.2616 2.2616 3.1452 3.1462 3.2925 3.2926 4.6797 4.6800 5.0922 5.0936 5.1160 5.1163 5.1188 5.1203 5.4976 5.4978 6.1905 6.1909 6.1938 6.1946 6.2614 6.2629 6.2888 6.2889 6.4278 6.4285 7.6420 7.6421 13.9647 13.9648 13.9672 13.9674 15.9772 15.9774 16.1016 16.1017 16.6513 16.6513 17.6138 17.6170 k = 0.0000 0.0000 0.0000 ( 3089 PWs) bands (ev): -18.0122 -18.0122 -15.7526 -15.7526 -15.7523 -15.7523 -12.5257 -12.5257 -12.4679 -12.4679 -12.4671 -12.4671 -12.3543 -12.3543 -12.2282 -12.2282 -8.8463 -8.8463 -5.0363 -5.0363 -5.0360 -5.0360 -3.5138 -3.5138 -3.1109 -3.1109 -3.1072 -3.1072 -2.1061 -2.1061 -1.9384 -1.9384 2.0069 2.0069 2.2569 2.2569 2.2613 2.2613 3.1433 3.1433 3.2921 3.2921 4.6810 4.6810 5.0934 5.0934 5.1152 5.1152 5.1168 5.1168 5.4985 5.4985 6.1910 6.1910 6.1944 6.1944 6.2641 6.2641 6.2908 6.2908 6.4275 6.4275 7.6432 7.6432 13.9636 13.9636 13.9650 13.9650 15.9769 15.9769 16.1018 16.1018 16.6516 16.6516 17.6143 17.6146 k = 0.0000 0.0000 0.0000 ( 3089 PWs) bands (ev): -18.0122 -18.0122 -15.7526 -15.7526 -15.7523 -15.7523 -12.5257 -12.5257 -12.4679 -12.4679 -12.4671 -12.4671 -12.3543 -12.3543 -12.2282 -12.2282 -8.8463 -8.8463 -5.0363 -5.0363 -5.0360 -5.0360 -3.5138 -3.5138 -3.1109 -3.1109 -3.1072 -3.1072 -2.1061 -2.1061 -1.9384 -1.9384 2.0069 2.0069 2.2569 2.2569 2.2613 2.2613 3.1433 3.1433 3.2921 3.2921 4.6810 4.6810 5.0934 5.0934 5.1152 5.1152 5.1168 5.1168 5.4985 5.4985 6.1910 6.1910 6.1944 6.1944 6.2641 6.2641 6.2908 6.2908 6.4275 6.4275 7.6432 7.6432 13.9636 13.9636 13.9650 13.9650 15.9769 15.9769 16.1018 16.1018 16.6516 16.6516 17.6145 17.6150 k = 0.0000 0.0000 0.0128 ( 3081 PWs) bands (ev): -18.0115 -18.0115 -15.8144 -15.8142 -15.6903 -15.6900 -12.5255 -12.5255 -12.4711 -12.4704 -12.4645 -12.4638 -12.3544 -12.3544 -12.2306 -12.2306 -8.8437 -8.8436 -5.0958 -5.0955 -4.9778 -4.9775 -3.5141 -3.5141 -3.1250 -3.1214 -3.0961 -3.0924 -2.1076 -2.1074 -1.9389 -1.9388 2.0082 2.0084 2.2430 2.2475 2.2732 2.2775 3.1395 3.1427 3.2947 3.2977 4.6815 4.6819 5.0711 5.0720 5.0916 5.0933 5.1603 5.1618 5.4988 5.5004 6.1853 6.1890 6.1899 6.1901 6.2577 6.2736 6.2858 6.2978 6.4253 6.4254 7.6422 7.6423 13.9016 13.9031 14.0293 14.0308 15.9774 15.9774 16.0902 16.0913 16.6599 16.6613 17.5951 17.6012 k = 0.0000 0.0000 0.0255 ( 3081 PWs) bands (ev): -18.0095 -18.0095 -15.8758 -15.8756 -15.6276 -15.6274 -12.5251 -12.5251 -12.4743 -12.4735 -12.4612 -12.4604 -12.3549 -12.3549 -12.2378 -12.2378 -8.8358 -8.8358 -5.1560 -5.1558 -4.9202 -4.9198 -3.5151 -3.5150 -3.1383 -3.1348 -3.0807 -3.0770 -2.1119 -2.1115 -1.9403 -1.9401 2.0125 2.0128 2.2316 2.2362 2.2920 2.2962 3.1323 3.1379 3.3050 3.3104 4.6832 4.6841 5.0282 5.0292 5.0870 5.0898 5.2065 5.2080 5.5012 5.5044 6.1720 6.1766 6.1787 6.1802 6.2548 6.2828 6.2841 6.3061 6.4186 6.4190 7.6392 7.6394 13.8436 13.8451 14.0988 14.1002 15.9787 15.9789 16.0584 16.0605 16.6841 16.6867 17.5747 17.5807 k = 0.0000 0.0000 0.0383 ( 3077 PWs) bands (ev): -18.0060 -18.0060 -15.9368 -15.9366 -15.5646 -15.5643 -12.5244 -12.5243 -12.4774 -12.4766 -12.4578 -12.4570 -12.3558 -12.3557 -12.2498 -12.2497 -8.8228 -8.8228 -5.2172 -5.2169 -4.8634 -4.8631 -3.5168 -3.5167 -3.1508 -3.1473 -3.0648 -3.0610 -2.1190 -2.1185 -1.9426 -1.9423 2.0195 2.0199 2.2226 2.2273 2.3133 2.3173 3.1232 3.1305 3.3215 3.3286 4.6862 4.6876 4.9864 4.9874 5.0798 5.0838 5.2535 5.2551 5.5057 5.5105 6.1523 6.1560 6.1628 6.1658 6.2533 6.2805 6.2939 6.3145 6.4077 6.4083 7.6342 7.6345 13.7897 13.7911 14.1717 14.1732 15.9811 15.9813 16.0112 16.0138 16.7200 16.7235 17.5532 17.5591 k = 0.0000 0.0000 0.0510 ( 3077 PWs) bands (ev): -18.0012 -18.0012 -15.9973 -15.9971 -15.5012 -15.5009 -12.5234 -12.5233 -12.4803 -12.4795 -12.4544 -12.4536 -12.3569 -12.3568 -12.2663 -12.2662 -8.8048 -8.8047 -5.2791 -5.2789 -4.8077 -4.8073 -3.5191 -3.5189 -3.1624 -3.1590 -3.0483 -3.0445 -2.1289 -2.1282 -1.9458 -1.9454 2.0293 2.0299 2.2160 2.2207 2.3370 2.3409 3.1138 3.1221 3.3427 3.3508 4.6905 4.6923 4.9459 4.9468 5.0704 5.0754 5.3015 5.3031 5.5122 5.5184 6.1273 6.1301 6.1428 6.1469 6.2513 6.2777 6.3022 6.3222 6.3925 6.3935 7.6273 7.6277 13.7399 13.7413 14.2480 14.2494 15.9528 15.9558 15.9843 15.9847 16.7633 16.7674 17.5304 17.5363 k = 0.0000 0.0000 0.0638 ( 3069 PWs) bands (ev): -17.9951 -17.9950 -16.0573 -16.0571 -15.4374 -15.4371 -12.5221 -12.5220 -12.4831 -12.4823 -12.4510 -12.4503 -12.3584 -12.3583 -12.2872 -12.2871 -8.7819 -8.7818 -5.3419 -5.3417 -4.7528 -4.7525 -3.5220 -3.5218 -3.1731 -3.1696 -3.0314 -3.0275 -2.1414 -2.1406 -1.9500 -1.9495 2.0418 2.0425 2.2116 2.2165 2.3631 2.3669 3.1050 3.1139 3.3674 3.3760 4.6960 4.6983 4.9066 4.9074 5.0589 5.0649 5.3502 5.3519 5.5205 5.5280 6.0979 6.1002 6.1195 6.1242 6.2476 6.2736 6.3083 6.3286 6.3732 6.3751 7.6185 7.6190 13.6944 13.6957 14.3275 14.3289 15.8867 15.8899 15.9886 15.9890 16.8107 16.8152 17.5063 17.5123 k = 0.0000 0.0000 0.0766 ( 3069 PWs) bands (ev): -17.9875 -17.9875 -16.1168 -16.1165 -15.3733 -15.3730 -12.5205 -12.5204 -12.4856 -12.4849 -12.4477 -12.4470 -12.3602 -12.3600 -12.3124 -12.3123 -8.7543 -8.7542 -5.4056 -5.4054 -4.6990 -4.6987 -3.5256 -3.5254 -3.1826 -3.1792 -3.0140 -3.0101 -2.1566 -2.1555 -1.9552 -1.9546 2.0568 2.0575 2.2096 2.2145 2.3916 2.3953 3.0973 3.1066 3.3946 3.4035 4.7027 4.7054 4.8686 4.8693 5.0456 5.0523 5.3995 5.4012 5.5304 5.5391 6.0647 6.0665 6.0932 6.0981 6.2420 6.2678 6.3112 6.3336 6.3501 6.3540 7.6077 7.6083 13.6531 13.6544 14.4100 14.4114 15.8151 15.8184 15.9939 15.9944 16.8602 16.8651 17.4810 17.4869 k = 0.0000 0.0000 0.0893 ( 3069 PWs) bands (ev): -17.9786 -17.9786 -16.1757 -16.1755 -15.3088 -15.3085 -12.5187 -12.5186 -12.4880 -12.4872 -12.4445 -12.4438 -12.3622 -12.3621 -12.3417 -12.3415 -8.7222 -8.7221 -5.4700 -5.4698 -4.6462 -4.6459 -3.5297 -3.5295 -3.1911 -3.1877 -2.9962 -2.9923 -2.1741 -2.1729 -1.9614 -1.9607 2.0741 2.0750 2.2097 2.2147 2.4224 2.4259 3.0913 3.1008 3.4240 3.4330 4.7106 4.7137 4.8320 4.8326 5.0308 5.0381 5.4492 5.4509 5.5419 5.5516 6.0279 6.0295 6.0641 6.0691 6.2341 6.2601 6.3061 6.3232 6.3355 6.3369 7.5950 7.5957 13.6161 13.6174 14.4953 14.4966 15.7397 15.7430 16.0001 16.0007 16.9105 16.9156 17.4544 17.4603 k = 0.0000 0.0000 0.1021 ( 3057 PWs) bands (ev): -17.9683 -17.9683 -16.2342 -16.2339 -15.2440 -15.2437 -12.5167 -12.5165 -12.4901 -12.4894 -12.4414 -12.4407 -12.3748 -12.3746 -12.3646 -12.3644 -8.6859 -8.6857 -5.5352 -5.5350 -4.5945 -4.5942 -3.5344 -3.5342 -3.1983 -3.1950 -2.9780 -2.9740 -2.1940 -2.1927 -1.9686 -1.9678 2.0936 2.0946 2.2120 2.2170 2.4554 2.4588 3.0870 3.0966 3.4552 3.4641 4.7195 4.7231 4.7968 4.7972 5.0147 5.0226 5.4992 5.5007 5.5546 5.5655 5.9877 5.9892 6.0328 6.0377 6.2237 6.2505 6.2844 6.2932 6.3281 6.3386 7.5804 7.5812 13.5835 13.5847 14.5833 14.5846 15.6615 15.6647 16.0074 16.0081 16.9607 16.9660 17.4265 17.4324 k = 0.0000 0.0000 0.1149 ( 3069 PWs) bands (ev): -17.9567 -17.9567 -16.2920 -16.2918 -15.1790 -15.1787 -12.5144 -12.5142 -12.4921 -12.4913 -12.4385 -12.4377 -12.4114 -12.4112 -12.3673 -12.3671 -8.6456 -8.6455 -5.6012 -5.6011 -4.5439 -4.5436 -3.5397 -3.5394 -3.2043 -3.2010 -2.9595 -2.9554 -2.2161 -2.2146 -1.9769 -1.9760 2.1151 2.1161 2.2162 2.2213 2.4906 2.4938 3.0848 3.0943 3.4878 3.4967 4.7295 4.7335 4.7629 4.7633 4.9976 5.0059 5.5488 5.5496 5.5686 5.5811 5.9444 5.9458 5.9997 6.0043 6.2104 6.2388 6.2527 6.2607 6.3256 6.3386 7.5639 7.5648 13.5552 13.5564 14.6737 14.6749 15.5813 15.5845 16.0158 16.0166 17.0105 17.0160 17.3973 17.4032 k = 0.0000 0.0000 0.1276 ( 3069 PWs) bands (ev): -17.9438 -17.9437 -16.3493 -16.3491 -15.1136 -15.1133 -12.5119 -12.5117 -12.4937 -12.4930 -12.4514 -12.4511 -12.4357 -12.4349 -12.3702 -12.3700 -8.6016 -8.6014 -5.6680 -5.6679 -4.4945 -4.4941 -3.5455 -3.5452 -3.2088 -3.2056 -2.9405 -2.9364 -2.2403 -2.2386 -1.9864 -1.9853 2.1384 2.1394 2.2224 2.2275 2.5277 2.5308 3.0845 3.0940 3.5218 3.5305 4.7306 4.7309 4.7404 4.7447 4.9797 4.9883 5.5836 5.5899 5.5973 5.6052 5.8979 5.8994 5.9658 5.9700 6.1925 6.2165 6.2252 6.2277 6.3230 6.3370 7.5456 7.5465 13.5314 13.5325 14.7662 14.7673 15.4997 15.5028 16.0252 16.0261 17.0595 17.0651 17.3669 17.3728 k = 0.0000 0.0000 0.1404 ( 3069 PWs) bands (ev): -17.9295 -17.9294 -16.4059 -16.4057 -15.0480 -15.0477 -12.5095 -12.5094 -12.4953 -12.4944 -12.4940 -12.4936 -12.4331 -12.4323 -12.3733 -12.3731 -8.5542 -8.5540 -5.7355 -5.7354 -4.4463 -4.4459 -3.5518 -3.5515 -3.2120 -3.2087 -2.9211 -2.9171 -2.2663 -2.2646 -1.9969 -1.9957 2.1631 2.1642 2.2304 2.2355 2.5667 2.5697 3.0864 3.0958 3.5570 3.5655 4.6998 4.7000 4.7519 4.7567 4.9615 4.9702 5.5995 5.6101 5.6430 5.6476 5.8486 5.8500 5.9330 5.9367 6.1658 6.1771 6.1990 6.2098 6.3192 6.3339 7.5254 7.5264 13.5119 13.5129 14.8607 14.8618 15.4172 15.4202 16.0357 16.0366 17.1076 17.1133 17.3354 17.3413 k = 0.0000 0.0000 0.1531 ( 3069 PWs) bands (ev): -17.9138 -17.9138 -16.4620 -16.4618 -14.9821 -14.9818 -12.5406 -12.5403 -12.5058 -12.5055 -12.4963 -12.4955 -12.4306 -12.4299 -12.3767 -12.3765 -8.5036 -8.5033 -5.8038 -5.8037 -4.3993 -4.3989 -3.5586 -3.5582 -3.2136 -3.2104 -2.9014 -2.8973 -2.2941 -2.2922 -2.0087 -2.0074 2.1892 2.1901 2.2402 2.2453 2.6075 2.6103 3.0903 3.0995 3.5934 3.6016 4.6707 4.6707 4.7642 4.7693 4.9430 4.9519 5.6163 5.6280 5.6818 5.6864 5.7965 5.7980 5.9055 5.9084 6.1290 6.1352 6.1762 6.1926 6.3142 6.3293 7.5034 7.5045 13.4967 13.4977 14.9570 14.9580 15.3342 15.3371 16.0473 16.0484 17.1546 17.1604 17.3028 17.3087 k = 0.0000 0.0000 0.1659 ( 3069 PWs) bands (ev): -17.8969 -17.8968 -16.5173 -16.5171 -14.9160 -14.9157 -12.5889 -12.5886 -12.5028 -12.5025 -12.4971 -12.4964 -12.4284 -12.4277 -12.3804 -12.3801 -8.4500 -8.4497 -5.8728 -5.8727 -4.3536 -4.3532 -3.5658 -3.5655 -3.2138 -3.2106 -2.8812 -2.8771 -2.3234 -2.3214 -2.0216 -2.0202 2.2161 2.2170 2.2515 2.2565 2.6497 2.6525 3.0963 3.1053 3.6308 3.6387 4.6431 4.6432 4.7768 4.7822 4.9246 4.9336 5.6339 5.6463 5.7047 5.7097 5.7419 5.7433 5.8923 5.8944 6.0868 6.0912 6.1552 6.1738 6.3079 6.3232 7.4796 7.4808 13.4859 13.4868 15.0549 15.0557 15.2509 15.2538 16.0601 16.0612 17.2003 17.2063 17.2691 17.2752 k = 0.0000 0.0000 0.1787 ( 3049 PWs) bands (ev): -17.8786 -17.8785 -16.5720 -16.5718 -14.8496 -14.8493 -12.6396 -12.6393 -12.4995 -12.4992 -12.4976 -12.4969 -12.4265 -12.4257 -12.3842 -12.3839 -8.3937 -8.3934 -5.9425 -5.9424 -4.3092 -4.3088 -3.5736 -3.5731 -3.2123 -3.2091 -2.8606 -2.8564 -2.3541 -2.3520 -2.0357 -2.0342 2.2438 2.2443 2.2645 2.2692 2.6933 2.6959 3.1041 3.1129 3.6693 3.6769 4.6172 4.6175 4.7896 4.7953 4.9067 4.9157 5.6518 5.6650 5.6853 5.6863 5.7014 5.7067 5.9041 5.9057 6.0421 6.0458 6.1339 6.1534 6.3002 6.3158 7.4540 7.4553 13.4793 13.4801 15.1535 15.1540 15.1677 15.1717 16.0741 16.0753 17.2346 17.2380 17.2476 17.2511 k = 0.0000 0.0000 0.1914 ( 3041 PWs) bands (ev): -17.8590 -17.8589 -16.6260 -16.6258 -14.7830 -14.7826 -12.6925 -12.6922 -12.4979 -12.4972 -12.4960 -12.4957 -12.4247 -12.4240 -12.3883 -12.3880 -8.3349 -8.3346 -6.0129 -6.0128 -4.2662 -4.2659 -3.5817 -3.5813 -3.2091 -3.2060 -2.8394 -2.8353 -2.3860 -2.3838 -2.0511 -2.0494 2.2711 2.2717 2.2796 2.2832 2.7379 2.7404 3.1137 3.1222 3.7087 3.7160 4.5933 4.5937 4.8023 4.8083 4.8894 4.8984 5.6248 5.6270 5.6721 5.6752 5.6775 5.6871 5.9374 5.9392 5.9959 5.9996 6.1116 6.1316 6.2912 6.3070 7.4267 7.4281 13.4769 13.4776 15.0849 15.0873 15.2542 15.2550 16.0892 16.0905 17.1993 17.2050 17.2889 17.2946 k = 0.0000 0.0000 0.2042 ( 3041 PWs) bands (ev): -17.8381 -17.8380 -16.6793 -16.6791 -14.7162 -14.7158 -12.7474 -12.7471 -12.4978 -12.4971 -12.4924 -12.4921 -12.4233 -12.4226 -12.3925 -12.3921 -8.2739 -8.2736 -6.0839 -6.0839 -4.2247 -4.2243 -3.5903 -3.5898 -3.2043 -3.2012 -2.8178 -2.8137 -2.4189 -2.4166 -2.0677 -2.0658 2.2917 2.2983 2.2997 2.3021 2.7832 2.7856 3.1249 3.1332 3.7492 3.7561 4.5713 4.5718 4.8145 4.8206 4.8732 4.8820 5.5639 5.5658 5.6367 5.6405 5.6914 5.7051 5.9493 5.9523 5.9828 5.9841 6.0882 6.1085 6.2811 6.2970 7.3976 7.3991 13.4786 13.4792 15.0025 15.0049 15.3552 15.3558 16.1055 16.1068 17.1634 17.1692 17.3307 17.3366 k = 0.0000 0.0000 0.2170 ( 3041 PWs) bands (ev): -17.8159 -17.8158 -16.7318 -16.7317 -14.6492 -14.6488 -12.8039 -12.8036 -12.4974 -12.4967 -12.4886 -12.4883 -12.4221 -12.4214 -12.3968 -12.3965 -8.2108 -8.2106 -6.1556 -6.1556 -4.1847 -4.1843 -3.5993 -3.5988 -3.1978 -3.1947 -2.7957 -2.7915 -2.4527 -2.4504 -2.0854 -2.0835 2.3085 2.3144 2.3274 2.3290 2.8291 2.8314 3.1376 3.1455 3.7908 3.7972 4.5514 4.5521 4.8258 4.8320 4.8583 4.8670 5.5009 5.5028 5.5922 5.5956 5.7114 5.7254 5.9029 5.9064 6.0324 6.0342 6.0637 6.0842 6.2697 6.2858 7.3669 7.3685 13.4843 13.4849 14.9209 14.9232 15.4568 15.4572 16.1230 16.1243 17.1271 17.1330 17.3711 17.3771 k = 0.0000 0.0000 0.2297 ( 3045 PWs) bands (ev): -17.7924 -17.7924 -16.7836 -16.7834 -14.5820 -14.5816 -12.8621 -12.8618 -12.4968 -12.4961 -12.4848 -12.4845 -12.4212 -12.4205 -12.4013 -12.4010 -8.1459 -8.1457 -6.2279 -6.2279 -4.1462 -4.1458 -3.6088 -3.6083 -3.1895 -3.1864 -2.7730 -2.7688 -2.4872 -2.4848 -2.1044 -2.1023 2.3256 2.3313 2.3545 2.3557 2.8750 2.8772 3.1514 3.1590 3.8334 3.8394 4.5338 4.5346 4.8357 4.8418 4.8452 4.8536 5.4364 5.4383 5.5445 5.5475 5.7320 5.7463 5.8575 5.8615 6.0383 6.0588 6.0848 6.0868 6.2573 6.2734 7.3346 7.3362 13.4940 13.4945 14.8402 14.8424 15.5586 15.5588 16.1416 16.1430 17.0905 17.0965 17.4101 17.4161 k = 0.0000 0.0000 0.2425 ( 3049 PWs) bands (ev): -17.7677 -17.7676 -16.8346 -16.8345 -14.5146 -14.5143 -12.9216 -12.9213 -12.4958 -12.4951 -12.4809 -12.4806 -12.4206 -12.4200 -12.4059 -12.4056 -8.0793 -8.0791 -6.3007 -6.3007 -4.1092 -4.1088 -3.6187 -3.6182 -3.1795 -3.1764 -2.7497 -2.7455 -2.5223 -2.5198 -2.1244 -2.1222 2.3432 2.3487 2.3805 2.3814 2.9206 2.9227 3.1662 3.1734 3.8771 3.8827 4.5187 4.5196 4.8340 4.8422 4.8435 4.8496 5.3707 5.3725 5.4951 5.4977 5.7531 5.7676 5.8142 5.8188 6.0120 6.0325 6.1385 6.1407 6.2439 6.2600 7.3006 7.3023 13.5077 13.5080 14.7606 14.7627 15.6603 15.6604 16.1614 16.1629 17.0541 17.0601 17.4473 17.4535 k = 0.0000 0.0000 0.2552 ( 3049 PWs) bands (ev): -17.7417 -17.7416 -16.8848 -16.8846 -14.4471 -14.4468 -12.9824 -12.9821 -12.4945 -12.4938 -12.4770 -12.4766 -12.4203 -12.4197 -12.4106 -12.4102 -8.0113 -8.0110 -6.3741 -6.3741 -4.0738 -4.0734 -3.6290 -3.6285 -3.1678 -3.1647 -2.7259 -2.7217 -2.5577 -2.5551 -2.1456 -2.1433 2.3612 2.3666 2.4053 2.4059 2.9656 2.9676 3.1815 3.1883 3.9221 3.9272 4.5061 4.5072 4.8252 4.8331 4.8488 4.8545 5.3040 5.3058 5.4447 5.4469 5.7738 5.7745 5.7791 5.7893 5.9849 6.0053 6.1923 6.1954 6.2301 6.2455 7.2650 7.2668 13.5251 13.5254 14.6823 14.6843 15.7614 15.7615 16.1824 16.1838 17.0180 17.0241 17.4829 17.4891 k = 0.0000 0.0000 0.2680 ( 3053 PWs) bands (ev): -17.7145 -17.7144 -16.9342 -16.9340 -14.3795 -14.3792 -13.0443 -13.0440 -12.4929 -12.4922 -12.4730 -12.4726 -12.4204 -12.4197 -12.4154 -12.4150 -7.9419 -7.9417 -6.4480 -6.4479 -4.0400 -4.0396 -3.6399 -3.6394 -3.1542 -3.1512 -2.7014 -2.6973 -2.5933 -2.5907 -2.1679 -2.1654 2.3794 2.3846 2.4283 2.4288 3.0093 3.0112 3.1971 3.2035 3.9683 3.9729 4.4964 4.4976 4.8190 4.8266 4.8507 4.8560 5.2367 5.2384 5.3940 5.3957 5.7374 5.7434 5.7962 5.8113 5.9573 5.9776 6.2124 6.2301 6.2496 6.2504 7.2280 7.2297 13.5463 13.5464 14.6054 14.6073 15.8614 15.8618 16.2044 16.2059 16.9826 16.9889 17.5167 17.5230 k = 0.0000 0.0000 0.2808 ( 3053 PWs) bands (ev): -17.6861 -17.6860 -16.9827 -16.9825 -14.3117 -14.3114 -13.1071 -13.1068 -12.4910 -12.4903 -12.4690 -12.4686 -12.4207 -12.4203 -12.4200 -12.4198 -7.8713 -7.8711 -6.5223 -6.5223 -4.0077 -4.0073 -3.6512 -3.6507 -3.1390 -3.1360 -2.6764 -2.6723 -2.6290 -2.6263 -2.1911 -2.1885 2.3975 2.4026 2.4495 2.4496 3.0513 3.0532 3.2126 3.2187 4.0157 4.0199 4.4896 4.4909 4.8159 4.8231 4.8487 4.8535 5.1690 5.1706 5.3434 5.3446 5.7058 5.7128 5.8182 5.8336 5.9292 5.9493 6.1968 6.2138 6.3039 6.3055 7.1894 7.1912 13.5711 13.5711 14.5300 14.5318 15.9598 15.9605 16.2275 16.2290 16.9487 16.9551 17.5487 17.5550 k = 0.0000 0.0000 0.2935 ( 3041 PWs) bands (ev): -17.6564 -17.6563 -17.0303 -17.0301 -14.2439 -14.2435 -13.1709 -13.1705 -12.4888 -12.4881 -12.4651 -12.4646 -12.4251 -12.4246 -12.4213 -12.4207 -7.7997 -7.7995 -6.5971 -6.5970 -3.9771 -3.9767 -3.6631 -3.6626 -3.1221 -3.1191 -2.6646 -2.6619 -2.6508 -2.6467 -2.2152 -2.2125 2.4154 2.4203 2.4682 2.4684 3.0912 3.0930 3.2277 3.2333 4.0645 4.0682 4.4860 4.4874 4.8160 4.8228 4.8422 4.8464 5.1014 5.1030 5.2933 5.2941 5.6801 5.6881 5.8403 5.8560 5.9008 5.9209 6.1798 6.1967 6.3588 6.3606 7.1494 7.1513 13.5994 13.5995 14.4564 14.4581 16.0557 16.0567 16.2516 16.2530 16.9169 16.9235 17.5789 17.5852 k = 0.0000 0.0000 0.3063 ( 3041 PWs) bands (ev): -17.6255 -17.6254 -17.0770 -17.0769 -14.1760 -14.1756 -13.2353 -13.2350 -12.4863 -12.4856 -12.4611 -12.4607 -12.4299 -12.4294 -12.4223 -12.4216 -7.7272 -7.7270 -6.6722 -6.6721 -3.9480 -3.9476 -3.6756 -3.6751 -3.1034 -3.1004 -2.6999 -2.6972 -2.6246 -2.6206 -2.2402 -2.2374 2.4327 2.4374 2.4844 2.4848 3.1283 3.1301 3.2418 3.2471 4.1146 4.1178 4.4855 4.4870 4.8195 4.8260 4.8312 4.8346 5.0344 5.0358 5.2442 5.2444 5.6607 5.6699 5.8621 5.8724 5.8786 5.8928 6.1620 6.1788 6.4135 6.4155 7.1080 7.1099 13.6311 13.6313 14.3845 14.3861 16.1478 16.1491 16.2765 16.2778 16.8884 16.8953 17.5615 17.5624 k = 0.0000 0.0000 0.3191 ( 3037 PWs) bands (ev): -17.5935 -17.5934 -17.1228 -17.1227 -14.1080 -14.1076 -13.3005 -13.3001 -12.4836 -12.4829 -12.4573 -12.4568 -12.4347 -12.4343 -12.4235 -12.4229 -7.6539 -7.6537 -6.7476 -6.7474 -3.9204 -3.9200 -3.6888 -3.6883 -3.0831 -3.0802 -2.7349 -2.7321 -2.5979 -2.5940 -2.2660 -2.2630 2.4493 2.4538 2.4978 2.4986 3.1623 3.1641 3.2547 3.2595 4.1659 4.1687 4.4880 4.4896 4.8157 4.8184 4.8268 4.8328 4.9684 4.9696 5.1961 5.1963 5.6480 5.6583 5.8440 5.8617 5.8871 5.9013 6.1433 6.1601 6.4680 6.4700 7.0652 7.0671 13.6662 13.6665 14.3146 14.3161 16.2341 16.2358 16.3021 16.3033 16.8653 16.8724 17.4890 17.4903 k = 0.0000 0.0000 0.3318 ( 3037 PWs) bands (ev): -17.5602 -17.5601 -17.1677 -17.1676 -14.0400 -14.0396 -13.3661 -13.3658 -12.4805 -12.4799 -12.4535 -12.4530 -12.4395 -12.4390 -12.4250 -12.4244 -7.5799 -7.5797 -6.8232 -6.8231 -3.8943 -3.8939 -3.7026 -3.7021 -3.0612 -3.0583 -2.7694 -2.7666 -2.5708 -2.5669 -2.2924 -2.2893 2.4648 2.4691 2.5084 2.5095 3.1925 3.1944 3.2658 3.2702 4.2183 4.2206 4.4932 4.4948 4.7963 4.7984 4.8379 4.8433 4.9043 4.9054 5.1493 5.1500 5.6419 5.6534 5.8160 5.8342 5.9087 5.9241 6.1241 6.1408 6.5221 6.5242 7.0211 7.0231 13.7046 13.7049 14.2467 14.2481 16.3115 16.3127 16.3289 16.3291 16.8506 16.8580 17.4139 17.4155 k = 0.0000 0.0000 0.3446 ( 3049 PWs) bands (ev): -17.5259 -17.5258 -17.2116 -17.2115 -13.9720 -13.9716 -13.4323 -13.4320 -12.4773 -12.4767 -12.4498 -12.4493 -12.4443 -12.4437 -12.4268 -12.4262 -7.5054 -7.5052 -6.8991 -6.8990 -3.8697 -3.8693 -3.7172 -3.7167 -3.0378 -3.0349 -2.8032 -2.8004 -2.5433 -2.5395 -2.3194 -2.3162 2.4791 2.4831 2.5160 2.5175 3.2187 3.2206 3.2746 3.2787 4.2714 4.2733 4.4999 4.5015 4.7742 4.7757 4.8426 4.8443 4.8529 4.8585 5.1045 5.1057 5.6421 5.6547 5.7885 5.8065 5.9311 5.9468 6.1042 6.1209 6.5757 6.5777 6.9757 6.9777 13.7460 13.7465 14.1810 14.1822 16.3531 16.3549 16.3754 16.3785 16.8488 16.8563 17.3367 17.3386 k = 0.0000 0.0000 0.3573 ( 3049 PWs) bands (ev): -17.4904 -17.4903 -17.2546 -17.2544 -13.9040 -13.9036 -13.4989 -13.4986 -12.4738 -12.4732 -12.4489 -12.4484 -12.4463 -12.4458 -12.4289 -12.4283 -7.4304 -7.4301 -6.9751 -6.9749 -3.8465 -3.8461 -3.7326 -3.7321 -3.0129 -3.0099 -2.8363 -2.8334 -2.5155 -2.5117 -2.3468 -2.3436 2.4917 2.4955 2.5207 2.5226 3.2405 3.2426 3.2809 3.2845 4.3247 4.3261 4.5058 4.5073 4.7509 4.7520 4.7875 4.7889 4.8718 4.8765 5.0620 5.0637 5.6480 5.6615 5.7620 5.7797 5.9535 5.9694 6.0838 6.1004 6.6287 6.6307 6.9292 6.9312 13.7906 13.7912 14.1175 14.1187 16.3790 16.3802 16.4207 16.4234 16.8654 16.8726 17.2580 17.2604 k = 0.0000 0.0000 0.3701 ( 3049 PWs) bands (ev): -17.4538 -17.4536 -17.2965 -17.2964 -13.8361 -13.8357 -13.5659 -13.5655 -12.4701 -12.4695 -12.4534 -12.4529 -12.4429 -12.4424 -12.4312 -12.4307 -7.3549 -7.3547 -7.0512 -7.0510 -3.8246 -3.8242 -3.7489 -3.7485 -2.9865 -2.9836 -2.8685 -2.8656 -2.4874 -2.4837 -2.3747 -2.3713 2.5025 2.5060 2.5225 2.5247 3.2579 3.2602 3.2840 3.2873 4.3770 4.3781 4.5067 4.5079 4.7284 4.7295 4.7418 4.7435 4.8946 4.8988 5.0222 5.0243 5.6588 5.6732 5.7369 5.7540 5.9759 5.9919 6.0629 6.0794 6.6809 6.6830 6.8815 6.8836 13.8382 13.8389 14.0565 14.0576 16.4034 16.4041 16.4448 16.4467 16.9028 16.9092 17.1790 17.1819 k = 0.0000 0.0000 0.3829 ( 3053 PWs) bands (ev): -17.4160 -17.4159 -17.3374 -17.3373 -13.7683 -13.7679 -13.6331 -13.6328 -12.4662 -12.4656 -12.4578 -12.4573 -12.4397 -12.4392 -12.4338 -12.4333 -7.2792 -7.2790 -7.1273 -7.1271 -3.8040 -3.8035 -3.7662 -3.7658 -2.9588 -2.9559 -2.8997 -2.8968 -2.4592 -2.4556 -2.4027 -2.3993 2.5112 2.5144 2.5214 2.5239 3.2708 3.2733 3.2836 3.2866 4.4262 4.4268 4.4957 4.4963 4.7102 4.7116 4.7124 4.7148 4.9213 4.9249 4.9852 4.9879 5.6738 5.6890 5.7134 5.7300 5.9980 6.0142 6.0416 6.0581 6.7324 6.7345 6.8328 6.8349 13.8887 13.8895 13.9979 13.9989 16.4251 16.4254 16.4500 16.4511 16.9584 16.9638 17.1009 17.1045 k = 0.0000 0.0000 0.3956 ( 3046 PWs) bands (ev): -17.3772 -17.3772 -17.3771 -17.3771 -13.7006 -13.7006 -13.7003 -13.7003 -12.4621 -12.4621 -12.4615 -12.4615 -12.4366 -12.4366 -12.4361 -12.4361 -7.2033 -7.2033 -7.2031 -7.2031 -3.7845 -3.7845 -3.7841 -3.7841 -2.9299 -2.9299 -2.9270 -2.9270 -2.4309 -2.4309 -2.4274 -2.4274 2.5176 2.5176 2.5205 2.5205 3.2793 3.2793 3.2820 3.2820 4.4681 4.4681 4.4681 4.4681 4.7036 4.7036 4.7042 4.7042 4.9515 4.9515 4.9547 4.9547 5.6922 5.6922 5.7082 5.7082 6.0200 6.0200 6.0363 6.0363 6.7831 6.7831 6.7852 6.7852 13.9420 13.9420 13.9428 13.9428 16.4419 16.4419 16.4422 16.4422 17.0262 17.0262 17.0306 17.0306 k = 0.0000 0.0000 0.3956 ( 3046 PWs) bands (ev): -17.3772 -17.3772 -17.3771 -17.3771 -13.7006 -13.7006 -13.7003 -13.7003 -12.4621 -12.4621 -12.4615 -12.4615 -12.4366 -12.4366 -12.4361 -12.4361 -7.2033 -7.2033 -7.2031 -7.2031 -3.7845 -3.7845 -3.7841 -3.7841 -2.9299 -2.9299 -2.9270 -2.9270 -2.4309 -2.4309 -2.4274 -2.4274 2.5176 2.5176 2.5205 2.5205 3.2793 3.2793 3.2820 3.2820 4.4681 4.4681 4.4681 4.4681 4.7036 4.7036 4.7042 4.7042 4.9515 4.9515 4.9547 4.9547 5.6922 5.6922 5.7082 5.7082 6.0200 6.0200 6.0363 6.0363 6.7831 6.7831 6.7852 6.7852 13.9420 13.9420 13.9428 13.9428 16.4419 16.4419 16.4422 16.4422 17.0262 17.0262 17.0306 17.0306 k = 0.0000 0.0128 0.3956 ( 3054 PWs) bands (ev): -17.3766 -17.3766 -17.3765 -17.3765 -13.7023 -13.7023 -13.7019 -13.7019 -12.4647 -12.4647 -12.4641 -12.4641 -12.4339 -12.4339 -12.4334 -12.4334 -7.2023 -7.2023 -7.2021 -7.2021 -3.7841 -3.7841 -3.7836 -3.7836 -2.9297 -2.9297 -2.9268 -2.9268 -2.4305 -2.4305 -2.4269 -2.4269 2.5174 2.5174 2.5203 2.5203 3.2781 3.2781 3.2808 3.2808 4.4670 4.4670 4.4676 4.4676 4.7019 4.7019 4.7025 4.7025 4.9528 4.9528 4.9559 4.9559 5.6933 5.6933 5.7093 5.7093 6.0190 6.0190 6.0353 6.0353 6.7838 6.7838 6.7859 6.7859 13.9436 13.9436 13.9445 13.9445 16.4412 16.4412 16.4416 16.4416 17.0250 17.0250 17.0295 17.0295 k = 0.0000 0.0256 0.3956 ( 3042 PWs) bands (ev): -17.3747 -17.3747 -17.3746 -17.3746 -13.7072 -13.7072 -13.7069 -13.7069 -12.4704 -12.4704 -12.4698 -12.4698 -12.4277 -12.4277 -12.4272 -12.4272 -7.1993 -7.1993 -7.1991 -7.1991 -3.7826 -3.7826 -3.7821 -3.7821 -2.9291 -2.9291 -2.9261 -2.9261 -2.4292 -2.4292 -2.4256 -2.4256 2.5168 2.5168 2.5197 2.5197 3.2745 3.2745 3.2772 3.2772 4.4646 4.4646 4.4657 4.4657 4.6966 4.6966 4.6975 4.6975 4.9566 4.9566 4.9597 4.9597 5.6966 5.6966 5.7125 5.7125 6.0160 6.0160 6.0323 6.0323 6.7860 6.7860 6.7883 6.7883 13.9485 13.9485 13.9494 13.9494 16.4392 16.4392 16.4396 16.4396 17.0216 17.0216 17.0262 17.0262 k = 0.0000 0.0385 0.3956 ( 3038 PWs) bands (ev): -17.3716 -17.3716 -17.3715 -17.3715 -13.7154 -13.7154 -13.7151 -13.7151 -12.4772 -12.4772 -12.4766 -12.4766 -12.4202 -12.4202 -12.4197 -12.4197 -7.1943 -7.1943 -7.1941 -7.1941 -3.7802 -3.7802 -3.7797 -3.7797 -2.9281 -2.9281 -2.9251 -2.9251 -2.4270 -2.4270 -2.4234 -2.4234 2.5158 2.5158 2.5186 2.5186 3.2687 3.2687 3.2713 3.2713 4.4609 4.4609 4.4625 4.4625 4.6877 4.6877 4.6889 4.6889 4.9632 4.9632 4.9663 4.9663 5.7017 5.7017 5.7177 5.7177 6.0111 6.0111 6.0273 6.0273 6.7896 6.7896 6.7922 6.7922 13.9567 13.9567 13.9576 13.9576 16.4358 16.4358 16.4364 16.4364 17.0162 17.0162 17.0209 17.0209 k = 0.0000 0.0513 0.3956 ( 3030 PWs) bands (ev): -17.3672 -17.3672 -17.3671 -17.3671 -13.7269 -13.7269 -13.7265 -13.7265 -12.4841 -12.4841 -12.4835 -12.4835 -12.4123 -12.4123 -12.4118 -12.4118 -7.1874 -7.1874 -7.1872 -7.1872 -3.7768 -3.7768 -3.7763 -3.7763 -2.9266 -2.9266 -2.9236 -2.9236 -2.4239 -2.4239 -2.4203 -2.4203 2.5144 2.5144 2.5172 2.5172 3.2605 3.2605 3.2631 3.2631 4.4561 4.4561 4.4581 4.4581 4.6750 4.6750 4.6767 4.6767 4.9728 4.9728 4.9760 4.9760 5.7085 5.7085 5.7244 5.7244 6.0043 6.0043 6.0204 6.0204 6.7947 6.7947 6.7976 6.7976 13.9682 13.9682 13.9691 13.9691 16.4312 16.4312 16.4318 16.4318 17.0090 17.0090 17.0140 17.0140 k = 0.0000 0.0641 0.3956 ( 3030 PWs) bands (ev): -17.3616 -17.3616 -17.3615 -17.3615 -13.7414 -13.7414 -13.7411 -13.7411 -12.4907 -12.4907 -12.4901 -12.4901 -12.4043 -12.4043 -12.4038 -12.4038 -7.1787 -7.1787 -7.1786 -7.1786 -3.7724 -3.7724 -3.7718 -3.7718 -2.9247 -2.9247 -2.9217 -2.9217 -2.4201 -2.4201 -2.4165 -2.4165 2.5125 2.5125 2.5153 2.5153 3.2502 3.2502 3.2528 3.2528 4.4504 4.4504 4.4527 4.4527 4.6584 4.6584 4.6607 4.6607 4.9853 4.9853 4.9889 4.9889 5.7164 5.7164 5.7323 5.7323 5.9957 5.9957 6.0117 6.0117 6.8013 6.8013 6.8045 6.8045 13.9829 13.9829 13.9838 13.9838 16.4252 16.4252 16.4260 16.4260 17.0006 17.0006 17.0059 17.0059 k = 0.0000 0.0769 0.3956 ( 3034 PWs) bands (ev): -17.3548 -17.3548 -17.3547 -17.3547 -13.7591 -13.7591 -13.7587 -13.7587 -12.4969 -12.4969 -12.4963 -12.4963 -12.3965 -12.3965 -12.3960 -12.3960 -7.1684 -7.1684 -7.1682 -7.1682 -3.7669 -3.7669 -3.7663 -3.7663 -2.9224 -2.9224 -2.9193 -2.9193 -2.4155 -2.4155 -2.4119 -2.4119 2.5101 2.5101 2.5129 2.5129 3.2380 3.2380 3.2405 3.2405 4.4440 4.4440 4.4464 4.4464 4.6383 4.6383 4.6413 4.6413 5.0008 5.0008 5.0049 5.0049 5.7250 5.7250 5.7409 5.7409 5.9853 5.9853 6.0012 6.0012 6.8093 6.8093 6.8128 6.8128 14.0008 14.0008 14.0017 14.0017 16.4180 16.4180 16.4188 16.4188 16.9914 16.9914 16.9969 16.9969 k = 0.0000 0.0897 0.3956 ( 3030 PWs) bands (ev): -17.3468 -17.3468 -17.3467 -17.3467 -13.7797 -13.7797 -13.7793 -13.7793 -12.5025 -12.5025 -12.5020 -12.5020 -12.3889 -12.3889 -12.3884 -12.3884 -7.1565 -7.1565 -7.1563 -7.1563 -3.7604 -3.7604 -3.7597 -3.7597 -2.9195 -2.9195 -2.9163 -2.9163 -2.4103 -2.4103 -2.4067 -2.4067 2.5072 2.5072 2.5100 2.5100 3.2239 3.2239 3.2263 3.2263 4.4369 4.4369 4.4394 4.4394 4.6152 4.6152 4.6188 4.6188 5.0191 5.0191 5.0237 5.0237 5.7339 5.7339 5.7498 5.7498 5.9734 5.9734 5.9892 5.9892 6.8187 6.8187 6.8225 6.8225 14.0219 14.0219 14.0228 14.0228 16.4094 16.4094 16.4104 16.4104 16.9817 16.9817 16.9875 16.9875 k = 0.0000 0.1026 0.3956 ( 3030 PWs) bands (ev): -17.3376 -17.3376 -17.3375 -17.3375 -13.8031 -13.8031 -13.8028 -13.8028 -12.5076 -12.5076 -12.5070 -12.5070 -12.3816 -12.3816 -12.3811 -12.3811 -7.1432 -7.1432 -7.1430 -7.1430 -3.7527 -3.7527 -3.7520 -3.7520 -2.9160 -2.9160 -2.9128 -2.9128 -2.4045 -2.4045 -2.4009 -2.4009 2.5037 2.5037 2.5065 2.5065 3.2081 3.2081 3.2106 3.2106 4.4292 4.4292 4.4316 4.4316 4.5896 4.5896 4.5939 4.5939 5.0398 5.0398 5.0450 5.0450 5.7425 5.7425 5.7584 5.7584 5.9602 5.9602 5.9760 5.9760 6.8295 6.8295 6.8335 6.8335 14.0462 14.0462 14.0472 14.0472 16.3996 16.3996 16.4007 16.4007 16.9721 16.9721 16.9781 16.9781 k = 0.0000 0.1154 0.3956 ( 3032 PWs) bands (ev): -17.3273 -17.3273 -17.3272 -17.3272 -13.8292 -13.8292 -13.8289 -13.8289 -12.5119 -12.5119 -12.5113 -12.5113 -12.3748 -12.3748 -12.3743 -12.3743 -7.1286 -7.1286 -7.1285 -7.1285 -3.7440 -3.7440 -3.7432 -3.7432 -2.9119 -2.9119 -2.9087 -2.9087 -2.3982 -2.3982 -2.3945 -2.3945 2.4995 2.4995 2.5023 2.5023 3.1910 3.1910 3.1936 3.1936 4.4205 4.4205 4.4229 4.4229 4.5623 4.5623 4.5673 4.5673 5.0625 5.0625 5.0683 5.0683 5.7504 5.7504 5.7663 5.7663 5.9460 5.9460 5.9620 5.9620 6.8415 6.8415 6.8457 6.8457 14.0737 14.0737 14.0747 14.0747 16.3886 16.3886 16.3898 16.3898 16.9628 16.9628 16.9691 16.9691 k = 0.0000 0.1282 0.3956 ( 3032 PWs) bands (ev): -17.3158 -17.3158 -17.3157 -17.3157 -13.8579 -13.8579 -13.8575 -13.8575 -12.5155 -12.5155 -12.5149 -12.5149 -12.3683 -12.3683 -12.3678 -12.3678 -7.1131 -7.1131 -7.1129 -7.1129 -3.7341 -3.7341 -3.7333 -3.7333 -2.9072 -2.9072 -2.9039 -2.9039 -2.3914 -2.3914 -2.3878 -2.3878 2.4946 2.4946 2.4974 2.4974 3.1728 3.1728 3.1755 3.1755 4.4105 4.4105 4.4127 4.4127 4.5342 4.5342 4.5399 4.5399 5.0869 5.0869 5.0933 5.0933 5.7568 5.7568 5.7729 5.7729 5.9315 5.9315 5.9476 5.9476 6.8546 6.8546 6.8590 6.8590 14.1042 14.1042 14.1053 14.1053 16.3764 16.3764 16.3777 16.3777 16.9542 16.9542 16.9608 16.9608 k = 0.0000 0.1410 0.3956 ( 3036 PWs) bands (ev): -17.3033 -17.3033 -17.3032 -17.3032 -13.8889 -13.8889 -13.8885 -13.8885 -12.5184 -12.5184 -12.5178 -12.5178 -12.3624 -12.3624 -12.3619 -12.3619 -7.0967 -7.0967 -7.0965 -7.0965 -3.7230 -3.7230 -3.7222 -3.7222 -2.9018 -2.9018 -2.8984 -2.8984 -2.3843 -2.3843 -2.3807 -2.3807 2.4888 2.4888 2.4916 2.4916 3.1538 3.1538 3.1566 3.1566 4.3983 4.3983 4.4003 4.4003 4.5067 4.5067 4.5131 4.5131 5.1126 5.1126 5.1195 5.1195 5.7610 5.7610 5.7773 5.7773 5.9174 5.9174 5.9337 5.9337 6.8686 6.8686 6.8732 6.8732 14.1378 14.1378 14.1389 14.1389 16.3631 16.3631 16.3644 16.3644 16.9466 16.9466 16.9533 16.9533 k = 0.0000 0.1538 0.3956 ( 3040 PWs) bands (ev): -17.2897 -17.2897 -17.2896 -17.2896 -13.9220 -13.9220 -13.9217 -13.9217 -12.5205 -12.5205 -12.5199 -12.5199 -12.3570 -12.3570 -12.3565 -12.3565 -7.0796 -7.0796 -7.0794 -7.0794 -3.7108 -3.7108 -3.7100 -3.7100 -2.8956 -2.8956 -2.8921 -2.8921 -2.3770 -2.3770 -2.3733 -2.3733 2.4821 2.4821 2.4849 2.4849 3.1344 3.1344 3.1374 3.1374 4.3828 4.3828 4.3844 4.3844 4.4812 4.4812 4.4881 4.4881 5.1390 5.1390 5.1466 5.1466 5.7622 5.7622 5.7787 5.7787 5.9050 5.9050 5.9213 5.9213 6.8835 6.8835 6.8882 6.8882 14.1744 14.1744 14.1756 14.1756 16.3487 16.3487 16.3501 16.3501 16.9401 16.9401 16.9470 16.9470 k = 0.0000 0.1667 0.3956 ( 3042 PWs) bands (ev): -17.2752 -17.2752 -17.2751 -17.2751 -13.9571 -13.9571 -13.9568 -13.9568 -12.5219 -12.5219 -12.5213 -12.5213 -12.3520 -12.3520 -12.3516 -12.3516 -7.0621 -7.0621 -7.0619 -7.0619 -3.6975 -3.6975 -3.6966 -3.6966 -2.8886 -2.8886 -2.8850 -2.8850 -2.3695 -2.3695 -2.3659 -2.3659 2.4743 2.4743 2.4771 2.4771 3.1150 3.1150 3.1182 3.1182 4.3626 4.3626 4.3640 4.3640 4.4595 4.4595 4.4666 4.4666 5.1659 5.1659 5.1741 5.1741 5.7596 5.7596 5.7759 5.7759 5.8956 5.8956 5.9116 5.9116 6.8991 6.8991 6.9038 6.9038 14.2139 14.2139 14.2151 14.2151 16.3333 16.3333 16.3348 16.3348 16.9349 16.9349 16.9420 16.9420 k = 0.0000 0.1795 0.3956 ( 3040 PWs) bands (ev): -17.2597 -17.2597 -17.2596 -17.2596 -13.9940 -13.9940 -13.9937 -13.9937 -12.5225 -12.5225 -12.5219 -12.5219 -12.3477 -12.3477 -12.3472 -12.3472 -7.0442 -7.0442 -7.0441 -7.0441 -3.6830 -3.6830 -3.6821 -3.6821 -2.8807 -2.8807 -2.8771 -2.8771 -2.3620 -2.3620 -2.3583 -2.3583 2.4652 2.4652 2.4681 2.4681 3.0958 3.0958 3.0993 3.0993 4.3372 4.3372 4.3385 4.3385 4.4420 4.4420 4.4489 4.4489 5.1927 5.1927 5.2015 5.2015 5.7524 5.7524 5.7681 5.7681 5.8905 5.8905 5.9056 5.9056 6.9150 6.9150 6.9198 6.9198 14.2563 14.2563 14.2576 14.2576 16.3170 16.3170 16.3186 16.3186 16.9311 16.9311 16.9382 16.9382 k = 0.0000 0.1923 0.3956 ( 3044 PWs) bands (ev): -17.2433 -17.2433 -17.2432 -17.2432 -14.0324 -14.0324 -14.0321 -14.0321 -12.5225 -12.5225 -12.5219 -12.5219 -12.3438 -12.3438 -12.3433 -12.3433 -7.0264 -7.0264 -7.0262 -7.0262 -3.6675 -3.6675 -3.6666 -3.6666 -2.8720 -2.8720 -2.8683 -2.8683 -2.3545 -2.3545 -2.3509 -2.3509 2.4549 2.4549 2.4578 2.4578 3.0774 3.0774 3.0812 3.0812 4.3075 4.3075 4.3090 4.3090 4.4281 4.4281 4.4345 4.4345 5.2190 5.2190 5.2284 5.2284 5.7409 5.7409 5.7556 5.7556 5.8899 5.8899 5.9035 5.9035 6.9312 6.9312 6.9359 6.9359 14.3013 14.3013 14.3027 14.3027 16.2998 16.2998 16.3014 16.3014 16.9286 16.9286 16.9359 16.9359 k = 0.0000 0.2051 0.3956 ( 3048 PWs) bands (ev): -17.2261 -17.2261 -17.2259 -17.2259 -14.0721 -14.0721 -14.0718 -14.0718 -12.5217 -12.5217 -12.5211 -12.5211 -12.3405 -12.3405 -12.3401 -12.3401 -7.0085 -7.0085 -7.0084 -7.0084 -3.6510 -3.6510 -3.6501 -3.6501 -2.8623 -2.8623 -2.8586 -2.8586 -2.3472 -2.3472 -2.3435 -2.3435 2.4430 2.4430 2.4460 2.4460 3.0602 3.0602 3.0643 3.0643 4.2747 4.2747 4.2766 4.2766 4.4163 4.4163 4.4222 4.4222 5.2443 5.2443 5.2543 5.2543 5.7259 5.7259 5.7395 5.7395 5.8933 5.8933 5.9051 5.9051 6.9474 6.9474 6.9521 6.9521 14.3489 14.3489 14.3504 14.3504 16.2818 16.2818 16.2835 16.2835 16.9276 16.9276 16.9350 16.9350 k = 0.0000 0.2179 0.3956 ( 3048 PWs) bands (ev): -17.2081 -17.2081 -17.2080 -17.2080 -14.1128 -14.1128 -14.1125 -14.1125 -12.5203 -12.5203 -12.5197 -12.5197 -12.3378 -12.3378 -12.3373 -12.3373 -6.9910 -6.9910 -6.9909 -6.9909 -3.6336 -3.6336 -3.6327 -3.6327 -2.8516 -2.8516 -2.8479 -2.8479 -2.3401 -2.3401 -2.3364 -2.3364 2.4296 2.4296 2.4326 2.4326 3.0445 3.0445 3.0488 3.0488 4.2400 4.2400 4.2423 4.2423 4.4057 4.4057 4.4111 4.4111 5.2681 5.2681 5.2787 5.2787 5.7084 5.7084 5.7210 5.7210 5.8999 5.8999 5.9101 5.9101 6.9634 6.9634 6.9680 6.9680 14.3990 14.3990 14.4006 14.4006 16.2632 16.2632 16.2650 16.2650 16.9280 16.9280 16.9354 16.9354 k = 0.0000 0.2308 0.3956 ( 3050 PWs) bands (ev): -17.1894 -17.1894 -17.1893 -17.1893 -14.1544 -14.1544 -14.1541 -14.1541 -12.5183 -12.5183 -12.5177 -12.5177 -12.3356 -12.3356 -12.3351 -12.3351 -6.9738 -6.9738 -6.9737 -6.9737 -3.6154 -3.6154 -3.6145 -3.6145 -2.8399 -2.8399 -2.8361 -2.8361 -2.3333 -2.3333 -2.3296 -2.3296 2.4145 2.4145 2.4176 2.4176 3.0306 3.0306 3.0353 3.0353 4.2043 4.2043 4.2069 4.2069 4.3955 4.3955 4.4004 4.4004 5.2899 5.2899 5.3010 5.3010 5.6897 5.6897 5.7015 5.7015 5.9093 5.9093 5.9180 5.9180 6.9790 6.9790 6.9835 6.9835 14.4515 14.4515 14.4532 14.4532 16.2439 16.2439 16.2458 16.2458 16.9296 16.9296 16.9371 16.9371 k = 0.0000 0.2436 0.3956 ( 3042 PWs) bands (ev): -17.1701 -17.1701 -17.1700 -17.1700 -14.1966 -14.1966 -14.1963 -14.1963 -12.5156 -12.5156 -12.5151 -12.5151 -12.3339 -12.3339 -12.3335 -12.3335 -6.9571 -6.9571 -6.9570 -6.9570 -3.5966 -3.5966 -3.5956 -3.5956 -2.8272 -2.8272 -2.8233 -2.8233 -2.3269 -2.3269 -2.3233 -2.3233 2.3979 2.3979 2.4010 2.4010 3.0189 3.0189 3.0238 3.0238 4.1679 4.1679 4.1709 4.1709 4.3851 4.3851 4.3896 4.3896 5.3092 5.3092 5.3207 5.3207 5.6706 5.6706 5.6819 5.6819 5.9211 5.9211 5.9285 5.9285 6.9940 6.9940 6.9985 6.9985 14.5061 14.5061 14.5079 14.5079 16.2240 16.2240 16.2260 16.2260 16.9325 16.9325 16.9400 16.9400 k = 0.0000 0.2564 0.3956 ( 3042 PWs) bands (ev): -17.1504 -17.1504 -17.1503 -17.1503 -14.2391 -14.2391 -14.2389 -14.2389 -12.5125 -12.5125 -12.5119 -12.5119 -12.3328 -12.3328 -12.3323 -12.3323 -6.9411 -6.9411 -6.9410 -6.9410 -3.5773 -3.5773 -3.5763 -3.5763 -2.8133 -2.8133 -2.8094 -2.8094 -2.3211 -2.3211 -2.3174 -2.3174 2.3796 2.3796 2.3828 2.3828 3.0095 3.0095 3.0147 3.0147 4.1312 4.1312 4.1345 4.1345 4.3743 4.3743 4.3785 4.3785 5.3256 5.3256 5.3374 5.3374 5.6521 5.6521 5.6627 5.6627 5.9354 5.9354 5.9415 5.9415 7.0083 7.0083 7.0127 7.0127 14.5626 14.5626 14.5645 14.5645 16.2037 16.2037 16.2058 16.2058 16.9365 16.9365 16.9439 16.9439 k = 0.0000 0.2692 0.3956 ( 3050 PWs) bands (ev): -17.1302 -17.1302 -17.1301 -17.1301 -14.2818 -14.2818 -14.2815 -14.2815 -12.5088 -12.5088 -12.5083 -12.5083 -12.3322 -12.3322 -12.3317 -12.3317 -6.9258 -6.9258 -6.9257 -6.9257 -3.5576 -3.5576 -3.5567 -3.5567 -2.7983 -2.7983 -2.7944 -2.7944 -2.3159 -2.3159 -2.3122 -2.3122 2.3600 2.3600 2.3631 2.3631 3.0026 3.0026 3.0081 3.0081 4.0944 4.0944 4.0979 4.0979 4.3629 4.3629 4.3667 4.3667 5.3388 5.3388 5.3507 5.3507 5.6345 5.6345 5.6446 5.6446 5.9521 5.9521 5.9571 5.9571 7.0217 7.0217 7.0259 7.0259 14.6209 14.6209 14.6229 14.6229 16.1829 16.1829 16.1851 16.1851 16.9414 16.9414 16.9488 16.9488 k = 0.0000 0.2821 0.3956 ( 3046 PWs) bands (ev): -17.1097 -17.1097 -17.1096 -17.1096 -14.3243 -14.3243 -14.3240 -14.3240 -12.5047 -12.5047 -12.5042 -12.5042 -12.3320 -12.3320 -12.3316 -12.3316 -6.9113 -6.9113 -6.9112 -6.9112 -3.5379 -3.5379 -3.5369 -3.5369 -2.7821 -2.7821 -2.7783 -2.7783 -2.3114 -2.3114 -2.3077 -2.3077 2.3390 2.3390 2.3422 2.3422 2.9983 2.9983 3.0040 3.0040 4.0577 4.0577 4.0614 4.0614 4.3507 4.3507 4.3542 4.3542 5.3488 5.3488 5.3605 5.3605 5.6184 5.6184 5.6278 5.6278 5.9711 5.9711 5.9751 5.9751 7.0340 7.0340 7.0381 7.0381 14.6807 14.6807 14.6829 14.6829 16.1617 16.1617 16.1641 16.1641 16.9471 16.9471 16.9544 16.9544 k = 0.0000 0.2949 0.3956 ( 3046 PWs) bands (ev): -17.0891 -17.0891 -17.0890 -17.0890 -14.3664 -14.3664 -14.3661 -14.3661 -12.5002 -12.5002 -12.4997 -12.4997 -12.3324 -12.3324 -12.3319 -12.3319 -6.8977 -6.8977 -6.8976 -6.8976 -3.5182 -3.5182 -3.5172 -3.5172 -2.7649 -2.7649 -2.7610 -2.7610 -2.3076 -2.3076 -2.3040 -2.3040 2.3171 2.3171 2.3202 2.3202 2.9966 2.9966 3.0024 3.0024 4.0210 4.0210 4.0250 4.0250 4.3378 4.3378 4.3409 4.3409 5.3556 5.3556 5.3668 5.3668 5.6039 5.6039 5.6126 5.6126 5.9923 5.9923 5.9954 5.9954 7.0453 7.0453 7.0492 7.0492 14.7417 14.7417 14.7441 14.7441 16.1401 16.1401 16.1426 16.1426 16.9535 16.9535 16.9607 16.9607 k = 0.0000 0.3077 0.3956 ( 3044 PWs) bands (ev): -17.0684 -17.0684 -17.0683 -17.0683 -14.4078 -14.4078 -14.4076 -14.4076 -12.4954 -12.4954 -12.4948 -12.4948 -12.3332 -12.3332 -12.3327 -12.3327 -6.8850 -6.8850 -6.8849 -6.8849 -3.4987 -3.4987 -3.4978 -3.4978 -2.7465 -2.7465 -2.7426 -2.7426 -2.3048 -2.3048 -2.3012 -2.3012 2.2944 2.2944 2.2975 2.2975 2.9974 2.9974 3.0034 3.0034 3.9846 3.9846 3.9888 3.9888 4.3240 4.3240 4.3268 4.3268 5.3595 5.3595 5.3701 5.3701 5.5911 5.5911 5.5988 5.5988 6.0154 6.0154 6.0178 6.0178 7.0553 7.0553 7.0591 7.0591 14.8038 14.8038 14.8063 14.8063 16.1182 16.1182 16.1209 16.1209 16.9603 16.9603 16.9674 16.9674 k = 0.0000 0.3205 0.3956 ( 3044 PWs) bands (ev): -17.0479 -17.0479 -17.0478 -17.0478 -14.4483 -14.4483 -14.4481 -14.4481 -12.4901 -12.4901 -12.4896 -12.4896 -12.3345 -12.3345 -12.3340 -12.3340 -6.8732 -6.8732 -6.8731 -6.8731 -3.4797 -3.4797 -3.4789 -3.4789 -2.7270 -2.7270 -2.7231 -2.7231 -2.3029 -2.3029 -2.2993 -2.2993 2.2713 2.2713 2.2743 2.2743 3.0007 3.0007 3.0067 3.0067 3.9486 3.9486 3.9528 3.9528 4.3095 4.3095 4.3120 4.3120 5.3612 5.3612 5.3708 5.3708 5.5796 5.5796 5.5865 5.5865 6.0402 6.0402 6.0421 6.0421 7.0640 7.0640 7.0676 7.0676 14.8666 14.8666 14.8692 14.8692 16.0960 16.0960 16.0987 16.0987 16.9675 16.9675 16.9744 16.9744 k = 0.0000 0.3333 0.3956 ( 3040 PWs) bands (ev): -17.0275 -17.0275 -17.0275 -17.0275 -14.4877 -14.4877 -14.4875 -14.4875 -12.4847 -12.4847 -12.4841 -12.4841 -12.3362 -12.3362 -12.3357 -12.3357 -6.8623 -6.8623 -6.8623 -6.8623 -3.4614 -3.4614 -3.4606 -3.4606 -2.7066 -2.7066 -2.7027 -2.7027 -2.3021 -2.3021 -2.2985 -2.2985 2.2481 2.2481 2.2509 2.2509 3.0063 3.0063 3.0123 3.0123 3.9128 3.9128 3.9173 3.9173 4.2945 4.2945 4.2967 4.2967 5.3611 5.3611 5.3696 5.3696 5.5692 5.5692 5.5753 5.5753 6.0662 6.0662 6.0677 6.0677 7.0714 7.0714 7.0749 7.0749 14.9298 14.9298 14.9325 14.9325 16.0733 16.0733 16.0762 16.0762 16.9748 16.9748 16.9815 16.9815 k = 0.0000 0.3462 0.3956 ( 3040 PWs) bands (ev): -17.0077 -17.0077 -17.0076 -17.0076 -14.5256 -14.5256 -14.5254 -14.5254 -12.4790 -12.4790 -12.4784 -12.4784 -12.3383 -12.3383 -12.3378 -12.3378 -6.8524 -6.8524 -6.8523 -6.8523 -3.4438 -3.4438 -3.4431 -3.4431 -2.6852 -2.6852 -2.6813 -2.6813 -2.3024 -2.3024 -2.2988 -2.2988 2.2251 2.2251 2.2278 2.2278 3.0140 3.0140 3.0201 3.0201 3.8776 3.8776 3.8822 3.8822 4.2790 4.2790 4.2810 4.2810 5.3598 5.3598 5.3673 5.3673 5.5597 5.5597 5.5650 5.5650 6.0930 6.0930 6.0943 6.0943 7.0776 7.0776 7.0809 7.0809 14.9931 14.9931 14.9960 14.9960 16.0502 16.0502 16.0533 16.0533 16.9820 16.9820 16.9885 16.9885 k = 0.0000 0.3590 0.3956 ( 3038 PWs) bands (ev): -16.9884 -16.9884 -16.9883 -16.9883 -14.5618 -14.5618 -14.5616 -14.5616 -12.4731 -12.4731 -12.4725 -12.4725 -12.3408 -12.3408 -12.3403 -12.3403 -6.8434 -6.8434 -6.8434 -6.8434 -3.4273 -3.4273 -3.4266 -3.4266 -2.6630 -2.6630 -2.6592 -2.6592 -2.3039 -2.3039 -2.3003 -2.3003 2.2026 2.2026 2.2051 2.2051 3.0236 3.0236 3.0297 3.0297 3.8429 3.8429 3.8476 3.8476 4.2634 4.2634 4.2652 4.2652 5.3580 5.3580 5.3645 5.3645 5.5506 5.5506 5.5553 5.5553 6.1201 6.1201 6.1214 6.1214 7.0825 7.0825 7.0855 7.0855 15.0561 15.0561 15.0591 15.0591 16.0267 16.0267 16.0299 16.0299 16.9891 16.9891 16.9954 16.9954 k = 0.0000 0.3718 0.3956 ( 3042 PWs) bands (ev): -16.9699 -16.9699 -16.9698 -16.9698 -14.5960 -14.5960 -14.5959 -14.5959 -12.4670 -12.4670 -12.4665 -12.4665 -12.3436 -12.3436 -12.3432 -12.3432 -6.8354 -6.8354 -6.8353 -6.8353 -3.4119 -3.4119 -3.4112 -3.4112 -2.6402 -2.6402 -2.6364 -2.6364 -2.3068 -2.3068 -2.3032 -2.3032 2.1809 2.1809 2.1833 2.1833 3.0349 3.0349 3.0410 3.0410 3.8089 3.8089 3.8137 3.8137 4.2479 4.2479 4.2495 4.2495 5.3560 5.3560 5.3616 5.3616 5.5419 5.5419 5.5461 5.5461 6.1472 6.1472 6.1483 6.1483 7.0861 7.0861 7.0890 7.0890 15.1185 15.1185 15.1217 15.1217 16.0026 16.0026 16.0059 16.0059 16.9959 16.9959 17.0018 17.0018 k = 0.0000 0.3846 0.3956 ( 3042 PWs) bands (ev): -16.9523 -16.9523 -16.9522 -16.9522 -14.6280 -14.6280 -14.6279 -14.6279 -12.4609 -12.4609 -12.4604 -12.4604 -12.3468 -12.3468 -12.3463 -12.3463 -6.8282 -6.8282 -6.8282 -6.8282 -3.3977 -3.3977 -3.3971 -3.3971 -2.6169 -2.6169 -2.6131 -2.6131 -2.3109 -2.3109 -2.3074 -2.3074 2.1604 2.1604 2.1626 2.1626 3.0477 3.0477 3.0536 3.0536 3.7758 3.7758 3.7806 3.7806 4.2327 4.2327 4.2342 4.2342 5.3543 5.3543 5.3591 5.3591 5.5335 5.5335 5.5373 5.5373 6.1736 6.1736 6.1747 6.1747 7.0887 7.0887 7.0914 7.0914 15.1800 15.1800 15.1832 15.1832 15.9779 15.9779 15.9813 15.9813 17.0023 17.0023 17.0078 17.0078 k = 0.0000 0.3974 0.3956 ( 3046 PWs) bands (ev): -16.9359 -16.9359 -16.9359 -16.9359 -14.6575 -14.6575 -14.6574 -14.6574 -12.4548 -12.4548 -12.4543 -12.4543 -12.3503 -12.3503 -12.3498 -12.3498 -6.8219 -6.8219 -6.8219 -6.8219 -3.3848 -3.3848 -3.3843 -3.3843 -2.5933 -2.5933 -2.5895 -2.5895 -2.3165 -2.3165 -2.3130 -2.3130 2.1413 2.1413 2.1433 2.1433 3.0617 3.0617 3.0674 3.0674 3.7439 3.7439 3.7486 3.7486 4.2183 4.2183 4.2195 4.2195 5.3530 5.3530 5.3571 5.3571 5.5253 5.5253 5.5289 5.5289 6.1989 6.1989 6.2000 6.2000 7.0903 7.0903 7.0927 7.0927 15.2400 15.2400 15.2433 15.2433 15.9525 15.9525 15.9560 15.9560 17.0082 17.0082 17.0133 17.0133 k = 0.0000 0.4103 0.3956 ( 3042 PWs) bands (ev): -16.9209 -16.9209 -16.9208 -16.9208 -14.6843 -14.6843 -14.6842 -14.6842 -12.4487 -12.4487 -12.4482 -12.4482 -12.3540 -12.3540 -12.3535 -12.3535 -6.8164 -6.8164 -6.8164 -6.8164 -3.3733 -3.3733 -3.3729 -3.3729 -2.5696 -2.5696 -2.5658 -2.5658 -2.3236 -2.3236 -2.3201 -2.3201 2.1239 2.1239 2.1257 2.1257 3.0764 3.0764 3.0819 3.0819 3.7135 3.7135 3.7181 3.7181 4.2048 4.2048 4.2058 4.2058 5.3522 5.3522 5.3558 5.3558 5.5175 5.5175 5.5208 5.5208 6.2227 6.2227 6.2238 6.2238 7.0910 7.0910 7.0932 7.0932 15.2983 15.2983 15.3017 15.3017 15.9263 15.9263 15.9299 15.9299 17.0134 17.0134 17.0181 17.0181 k = 0.0000 0.4231 0.3956 ( 3042 PWs) bands (ev): -16.9074 -16.9074 -16.9073 -16.9073 -14.7081 -14.7081 -14.7080 -14.7080 -12.4427 -12.4427 -12.4423 -12.4423 -12.3578 -12.3578 -12.3574 -12.3574 -6.8118 -6.8118 -6.8118 -6.8118 -3.3633 -3.3633 -3.3629 -3.3629 -2.5460 -2.5460 -2.5423 -2.5423 -2.3322 -2.3322 -2.3286 -2.3286 2.1083 2.1083 2.1099 2.1099 3.0915 3.0915 3.0966 3.0966 3.6849 3.6849 3.6894 3.6894 4.1925 4.1925 4.1933 4.1933 5.3520 5.3520 5.3551 5.3551 5.5102 5.5102 5.5132 5.5132 6.2444 6.2444 6.2454 6.2454 7.0911 7.0911 7.0931 7.0931 15.3544 15.3544 15.3579 15.3579 15.8993 15.8993 15.9029 15.9029 17.0181 17.0181 17.0222 17.0222 k = 0.0000 0.4359 0.3956 ( 3042 PWs) bands (ev): -16.8956 -16.8956 -16.8955 -16.8955 -14.7286 -14.7286 -14.7285 -14.7285 -12.4370 -12.4370 -12.4365 -12.4365 -12.3617 -12.3617 -12.3613 -12.3613 -6.8079 -6.8079 -6.8079 -6.8079 -3.3548 -3.3548 -3.3545 -3.3545 -2.5227 -2.5227 -2.5190 -2.5190 -2.3422 -2.3422 -2.3387 -2.3387 2.0948 2.0948 2.0961 2.0961 3.1063 3.1063 3.1109 3.1109 3.6589 3.6589 3.6630 3.6630 4.1816 4.1816 4.1824 4.1824 5.3523 5.3523 5.3549 5.3549 5.5035 5.5035 5.5062 5.5062 6.2637 6.2637 6.2646 6.2646 7.0908 7.0908 7.0924 7.0924 15.4078 15.4078 15.4112 15.4112 15.8715 15.8715 15.8751 15.8751 17.0220 17.0220 17.0256 17.0256 k = 0.0000 0.4487 0.3956 ( 3040 PWs) bands (ev): -16.8857 -16.8857 -16.8857 -16.8857 -14.7457 -14.7457 -14.7456 -14.7456 -12.4316 -12.4316 -12.4312 -12.4312 -12.3656 -12.3656 -12.3652 -12.3652 -6.8048 -6.8048 -6.8047 -6.8047 -3.3478 -3.3478 -3.3475 -3.3475 -2.5000 -2.5000 -2.4964 -2.4964 -2.3538 -2.3538 -2.3503 -2.3503 2.0836 2.0836 2.0846 2.0846 3.1203 3.1203 3.1243 3.1243 3.6359 3.6359 3.6395 3.6395 4.1725 4.1725 4.1731 4.1731 5.3529 5.3529 5.3551 5.3551 5.4977 5.4977 5.5000 5.5000 6.2801 6.2801 6.2809 6.2809 7.0902 7.0902 7.0915 7.0915 15.4577 15.4577 15.4611 15.4611 15.8433 15.8433 15.8468 15.8468 17.0254 17.0254 17.0282 17.0282 k = 0.0000 0.4615 0.3956 ( 3036 PWs) bands (ev): -16.8778 -16.8778 -16.8778 -16.8778 -14.7592 -14.7592 -14.7592 -14.7592 -12.4268 -12.4268 -12.4264 -12.4264 -12.3692 -12.3692 -12.3689 -12.3689 -6.8023 -6.8023 -6.8023 -6.8023 -3.3423 -3.3423 -3.3421 -3.3421 -2.4781 -2.4781 -2.4745 -2.4745 -2.3669 -2.3669 -2.3634 -2.3634 2.0747 2.0747 2.0755 2.0755 3.1326 3.1326 3.1358 3.1358 3.6169 3.6169 3.6198 3.6198 4.1652 4.1652 4.1656 4.1656 5.3538 5.3538 5.3554 5.3554 5.4929 5.4929 5.4948 5.4948 6.2934 6.2934 6.2940 6.2940 7.0895 7.0895 7.0905 7.0905 15.5033 15.5033 15.5064 15.5064 15.8153 15.8153 15.8185 15.8185 17.0280 17.0280 17.0302 17.0302 k = 0.0000 0.4744 0.3956 ( 3034 PWs) bands (ev): -16.8721 -16.8721 -16.8721 -16.8721 -14.7690 -14.7690 -14.7689 -14.7689 -12.4228 -12.4228 -12.4225 -12.4225 -12.3722 -12.3722 -12.3720 -12.3720 -6.8006 -6.8006 -6.8006 -6.8006 -3.3384 -3.3384 -3.3383 -3.3383 -2.4573 -2.4573 -2.4538 -2.4538 -2.3812 -2.3812 -2.3777 -2.3777 2.0684 2.0684 2.0689 2.0689 3.1424 3.1424 3.1447 3.1447 3.6027 3.6027 3.6047 3.6047 4.1599 4.1599 4.1602 4.1602 5.3547 5.3547 5.3558 5.3558 5.4894 5.4894 5.4907 5.4907 6.3031 6.3031 6.3035 6.3035 7.0889 7.0889 7.0896 7.0896 15.5424 15.5424 15.5451 15.5451 15.7892 15.7892 15.7920 15.7920 17.0300 17.0300 17.0315 17.0315 k = 0.0000 0.4872 0.3956 ( 3040 PWs) bands (ev): -16.8686 -16.8686 -16.8686 -16.8686 -14.7749 -14.7749 -14.7748 -14.7748 -12.4201 -12.4201 -12.4200 -12.4200 -12.3743 -12.3743 -12.3742 -12.3742 -6.7996 -6.7996 -6.7996 -6.7996 -3.3360 -3.3360 -3.3360 -3.3360 -2.4383 -2.4383 -2.4352 -2.4352 -2.3960 -2.3960 -2.3929 -2.3929 2.0645 2.0645 2.0648 2.0648 3.1490 3.1490 3.1502 3.1502 3.5939 3.5939 3.5950 3.5950 4.1567 4.1567 4.1569 4.1569 5.3554 5.3554 5.3560 5.3560 5.4874 5.4874 5.4880 5.4880 6.3091 6.3091 6.3093 6.3093 7.0886 7.0886 7.0890 7.0890 15.5712 15.5712 15.5729 15.5729 15.7691 15.7691 15.7708 15.7708 17.0313 17.0313 17.0320 17.0320 k = 0.0000 0.5000 0.3956 ( 3036 PWs) bands (ev): -16.8675 -16.8675 -16.8675 -16.8675 -14.7768 -14.7768 -14.7768 -14.7768 -12.4191 -12.4191 -12.4191 -12.4191 -12.3750 -12.3750 -12.3750 -12.3750 -6.7993 -6.7993 -6.7993 -6.7993 -3.3352 -3.3352 -3.3352 -3.3352 -2.4256 -2.4256 -2.4256 -2.4256 -2.4043 -2.4043 -2.4043 -2.4043 2.0634 2.0634 2.0634 2.0634 3.1517 3.1517 3.1517 3.1517 3.5913 3.5913 3.5913 3.5913 4.1557 4.1557 4.1557 4.1557 5.3558 5.3558 5.3558 5.3558 5.4869 5.4869 5.4869 5.4869 6.3112 6.3112 6.3112 6.3112 7.0886 7.0886 7.0886 7.0886 15.5829 15.5829 15.5829 15.5829 15.7617 15.7617 15.7617 15.7617 17.0320 17.0320 17.0320 17.0320 k = 0.0000 0.5000 0.3956 ( 3036 PWs) bands (ev): -16.8675 -16.8675 -16.8675 -16.8675 -14.7768 -14.7768 -14.7768 -14.7768 -12.4191 -12.4191 -12.4191 -12.4191 -12.3750 -12.3750 -12.3750 -12.3750 -6.7993 -6.7993 -6.7993 -6.7993 -3.3352 -3.3352 -3.3352 -3.3352 -2.4256 -2.4256 -2.4256 -2.4256 -2.4043 -2.4043 -2.4043 -2.4043 2.0634 2.0634 2.0634 2.0634 3.1517 3.1517 3.1517 3.1517 3.5913 3.5913 3.5913 3.5913 4.1557 4.1557 4.1557 4.1557 5.3558 5.3558 5.3558 5.3558 5.4869 5.4869 5.4869 5.4869 6.3112 6.3112 6.3112 6.3112 7.0886 7.0886 7.0886 7.0886 15.5829 15.5829 15.5829 15.5829 15.7617 15.7617 15.7617 15.7617 17.0320 17.0320 17.0320 17.0320 k = 0.0128 0.5000 0.3956 ( 3040 PWs) bands (ev): -16.8667 -16.8667 -16.8667 -16.8667 -14.7774 -14.7774 -14.7774 -14.7774 -12.4202 -12.4202 -12.4202 -12.4202 -12.3754 -12.3754 -12.3754 -12.3754 -6.7970 -6.7970 -6.7970 -6.7970 -3.3377 -3.3377 -3.3377 -3.3377 -2.4236 -2.4236 -2.4236 -2.4236 -2.4034 -2.4034 -2.4034 -2.4034 2.0632 2.0632 2.0633 2.0633 3.1505 3.1505 3.1508 3.1508 3.5906 3.5906 3.5907 3.5907 4.1558 4.1558 4.1558 4.1558 5.3543 5.3543 5.3544 5.3544 5.4875 5.4875 5.4879 5.4879 6.3117 6.3117 6.3120 6.3120 7.0888 7.0888 7.0889 7.0889 15.5825 15.5825 15.5826 15.5826 15.7621 15.7621 15.7622 15.7622 17.0328 17.0328 17.0328 17.0328 k = 0.0256 0.5000 0.3956 ( 3036 PWs) bands (ev): -16.8643 -16.8643 -16.8643 -16.8643 -14.7791 -14.7791 -14.7791 -14.7791 -12.4237 -12.4237 -12.4237 -12.4237 -12.3765 -12.3765 -12.3765 -12.3765 -6.7902 -6.7902 -6.7902 -6.7902 -3.3450 -3.3450 -3.3449 -3.3449 -2.4178 -2.4178 -2.4177 -2.4177 -2.4008 -2.4008 -2.4007 -2.4007 2.0627 2.0627 2.0630 2.0630 3.1473 3.1473 3.1480 3.1480 3.5885 3.5885 3.5886 3.5886 4.1559 4.1559 4.1559 4.1559 5.3496 5.3496 5.3498 5.3498 5.4897 5.4897 5.4905 5.4905 6.3137 6.3137 6.3142 6.3142 7.0895 7.0895 7.0897 7.0897 15.5816 15.5816 15.5818 15.5818 15.7637 15.7637 15.7639 15.7639 17.0353 17.0353 17.0353 17.0353 k = 0.0385 0.5000 0.3956 ( 3032 PWs) bands (ev): -16.8604 -16.8604 -16.8604 -16.8604 -14.7820 -14.7820 -14.7820 -14.7820 -12.4293 -12.4293 -12.4293 -12.4293 -12.3783 -12.3783 -12.3783 -12.3783 -6.7789 -6.7789 -6.7789 -6.7789 -3.3569 -3.3569 -3.3568 -3.3568 -2.4084 -2.4084 -2.4083 -2.4083 -2.3964 -2.3964 -2.3963 -2.3963 2.0620 2.0620 2.0625 2.0625 3.1423 3.1423 3.1433 3.1433 3.5849 3.5849 3.5850 3.5850 4.1561 4.1561 4.1562 4.1562 5.3419 5.3419 5.3422 5.3422 5.4933 5.4933 5.4946 5.4946 6.3171 6.3171 6.3178 6.3178 7.0907 7.0907 7.0910 7.0910 15.5801 15.5801 15.5804 15.5804 15.7664 15.7664 15.7667 15.7667 17.0394 17.0394 17.0394 17.0394 k = 0.0513 0.5000 0.3956 ( 3028 PWs) bands (ev): -16.8548 -16.8548 -16.8548 -16.8548 -14.7860 -14.7860 -14.7860 -14.7860 -12.4371 -12.4371 -12.4371 -12.4371 -12.3809 -12.3809 -12.3809 -12.3809 -6.7631 -6.7631 -6.7631 -6.7631 -3.3732 -3.3732 -3.3731 -3.3731 -2.3960 -2.3960 -2.3959 -2.3959 -2.3900 -2.3900 -2.3898 -2.3898 2.0611 2.0611 2.0616 2.0616 3.1355 3.1355 3.1369 3.1369 3.5797 3.5797 3.5799 3.5799 4.1566 4.1566 4.1567 4.1567 5.3313 5.3313 5.3317 5.3317 5.4983 5.4983 5.4999 5.4999 6.3220 6.3220 6.3229 6.3229 7.0924 7.0924 7.0927 7.0927 15.5781 15.5781 15.5785 15.5785 15.7701 15.7701 15.7705 15.7705 17.0452 17.0452 17.0452 17.0452 k = 0.0641 0.5000 0.3956 ( 3028 PWs) bands (ev): -16.8478 -16.8478 -16.8477 -16.8477 -14.7913 -14.7913 -14.7913 -14.7913 -12.4469 -12.4469 -12.4469 -12.4469 -12.3842 -12.3842 -12.3842 -12.3842 -6.7431 -6.7431 -6.7431 -6.7431 -3.3934 -3.3934 -3.3932 -3.3932 -2.3843 -2.3843 -2.3842 -2.3842 -2.3782 -2.3782 -2.3780 -2.3780 2.0598 2.0598 2.0605 2.0605 3.1271 3.1271 3.1289 3.1289 3.5729 3.5729 3.5731 3.5731 4.1575 4.1575 4.1575 4.1575 5.3177 5.3177 5.3182 5.3182 5.5042 5.5042 5.5063 5.5063 6.3284 6.3284 6.3296 6.3296 7.0945 7.0945 7.0949 7.0949 15.5758 15.5758 15.5762 15.5762 15.7749 15.7749 15.7753 15.7753 17.0526 17.0526 17.0526 17.0526 k = 0.0769 0.5000 0.3956 ( 3028 PWs) bands (ev): -16.8391 -16.8391 -16.8391 -16.8391 -14.7978 -14.7978 -14.7978 -14.7978 -12.4586 -12.4586 -12.4586 -12.4586 -12.3882 -12.3882 -12.3882 -12.3882 -6.7189 -6.7189 -6.7189 -6.7189 -3.4171 -3.4171 -3.4170 -3.4170 -2.3745 -2.3745 -2.3743 -2.3743 -2.3603 -2.3603 -2.3601 -2.3601 2.0583 2.0583 2.0591 2.0591 3.1175 3.1175 3.1196 3.1196 3.5642 3.5642 3.5644 3.5644 4.1588 4.1588 4.1588 4.1588 5.3013 5.3013 5.3019 5.3019 5.5110 5.5110 5.5134 5.5134 6.3365 6.3365 6.3378 6.3378 7.0969 7.0969 7.0974 7.0974 15.5733 15.5733 15.5738 15.5738 15.7806 15.7806 15.7811 15.7811 17.0616 17.0616 17.0616 17.0616 k = 0.0897 0.5000 0.3956 ( 3040 PWs) bands (ev): -16.8289 -16.8289 -16.8289 -16.8289 -14.8055 -14.8055 -14.8055 -14.8055 -12.4720 -12.4720 -12.4720 -12.4720 -12.3929 -12.3929 -12.3929 -12.3929 -6.6907 -6.6907 -6.6907 -6.6907 -3.4440 -3.4440 -3.4439 -3.4439 -2.3635 -2.3635 -2.3633 -2.3633 -2.3398 -2.3398 -2.3396 -2.3396 2.0564 2.0564 2.0574 2.0574 3.1069 3.1069 3.1093 3.1093 3.5535 3.5535 3.5538 3.5538 4.1606 4.1606 4.1607 4.1607 5.2823 5.2823 5.2830 5.2830 5.5181 5.5181 5.5209 5.5209 6.3463 6.3463 6.3478 6.3478 7.0996 7.0996 7.1002 7.1002 15.5707 15.5707 15.5713 15.5713 15.7872 15.7872 15.7879 15.7879 17.0722 17.0722 17.0722 17.0722 k = 0.1026 0.5000 0.3956 ( 3036 PWs) bands (ev): -16.8171 -16.8171 -16.8171 -16.8171 -14.8146 -14.8146 -14.8146 -14.8146 -12.4869 -12.4869 -12.4869 -12.4869 -12.3983 -12.3983 -12.3983 -12.3983 -6.6587 -6.6587 -6.6587 -6.6587 -3.4737 -3.4737 -3.4735 -3.4735 -2.3510 -2.3510 -2.3508 -2.3508 -2.3174 -2.3174 -2.3171 -2.3171 2.0543 2.0543 2.0553 2.0553 3.0956 3.0956 3.0982 3.0982 3.5407 3.5407 3.5410 3.5410 4.1631 4.1631 4.1632 4.1632 5.2608 5.2608 5.2616 5.2616 5.5254 5.5254 5.5285 5.5285 6.3579 6.3579 6.3596 6.3596 7.1026 7.1026 7.1032 7.1032 15.5684 15.5684 15.5691 15.5691 15.7948 15.7948 15.7956 15.7956 17.0844 17.0844 17.0844 17.0844 k = 0.1154 0.5000 0.3956 ( 3040 PWs) bands (ev): -16.8038 -16.8038 -16.8038 -16.8038 -14.8250 -14.8250 -14.8250 -14.8250 -12.5032 -12.5032 -12.5032 -12.5032 -12.4044 -12.4044 -12.4043 -12.4043 -6.6230 -6.6230 -6.6230 -6.6230 -3.5057 -3.5057 -3.5055 -3.5055 -2.3371 -2.3371 -2.3369 -2.3369 -2.2936 -2.2936 -2.2933 -2.2933 2.0517 2.0517 2.0529 2.0529 3.0840 3.0840 3.0868 3.0868 3.5257 3.5257 3.5259 3.5259 4.1663 4.1663 4.1665 4.1665 5.2370 5.2370 5.2379 5.2379 5.5324 5.5324 5.5358 5.5358 6.3714 6.3714 6.3732 6.3732 7.1057 7.1057 7.1064 7.1064 15.5664 15.5664 15.5671 15.5671 15.8032 15.8032 15.8041 15.8041 17.0981 17.0981 17.0982 17.0982 k = 0.1282 0.5000 0.3956 ( 3032 PWs) bands (ev): -16.7890 -16.7890 -16.7890 -16.7890 -14.8369 -14.8369 -14.8368 -14.8368 -12.5205 -12.5205 -12.5205 -12.5205 -12.4111 -12.4111 -12.4111 -12.4111 -6.5840 -6.5840 -6.5840 -6.5840 -3.5398 -3.5398 -3.5396 -3.5396 -2.3217 -2.3217 -2.3215 -2.3215 -2.2687 -2.2687 -2.2684 -2.2684 2.0488 2.0488 2.0501 2.0501 3.0723 3.0723 3.0754 3.0754 3.5083 3.5083 3.5085 3.5085 4.1701 4.1701 4.1704 4.1704 5.2112 5.2112 5.2122 5.2122 5.5389 5.5389 5.5426 5.5426 6.3868 6.3868 6.3887 6.3887 7.1089 7.1089 7.1096 7.1096 15.5649 15.5649 15.5658 15.5658 15.8125 15.8125 15.8134 15.8134 17.1134 17.1134 17.1135 17.1135 k = 0.1410 0.5000 0.3956 ( 3036 PWs) bands (ev): -16.7727 -16.7727 -16.7727 -16.7727 -14.8502 -14.8502 -14.8501 -14.8501 -12.5387 -12.5387 -12.5387 -12.5387 -12.4185 -12.4185 -12.4184 -12.4184 -6.5417 -6.5417 -6.5417 -6.5417 -3.5757 -3.5757 -3.5755 -3.5755 -2.3050 -2.3050 -2.3047 -2.3047 -2.2430 -2.2430 -2.2426 -2.2426 2.0456 2.0456 2.0470 2.0470 3.0609 3.0609 3.0642 3.0642 3.4884 3.4884 3.4887 3.4887 4.1746 4.1746 4.1749 4.1749 5.1835 5.1835 5.1847 5.1847 5.5445 5.5445 5.5484 5.5484 6.4041 6.4041 6.4062 6.4062 7.1121 7.1121 7.1129 7.1129 15.5642 15.5642 15.5651 15.5651 15.8224 15.8224 15.8234 15.8234 17.1303 17.1303 17.1304 17.1304 k = 0.1538 0.5000 0.3956 ( 3036 PWs) bands (ev): -16.7548 -16.7548 -16.7548 -16.7548 -14.8650 -14.8650 -14.8649 -14.8649 -12.5575 -12.5575 -12.5575 -12.5575 -12.4264 -12.4264 -12.4264 -12.4264 -6.4966 -6.4966 -6.4965 -6.4965 -3.6132 -3.6132 -3.6129 -3.6129 -2.2869 -2.2869 -2.2865 -2.2865 -2.2167 -2.2167 -2.2164 -2.2164 2.0421 2.0421 2.0436 2.0436 3.0501 3.0501 3.0536 3.0536 3.4662 3.4662 3.4664 3.4664 4.1795 4.1795 4.1799 4.1799 5.1545 5.1545 5.1557 5.1557 5.5490 5.5490 5.5531 5.5531 6.4234 6.4234 6.4255 6.4255 7.1153 7.1153 7.1161 7.1161 15.5645 15.5645 15.5654 15.5654 15.8329 15.8329 15.8341 15.8341 17.1487 17.1487 17.1488 17.1488 k = 0.1667 0.5000 0.3956 ( 3036 PWs) bands (ev): -16.7355 -16.7355 -16.7355 -16.7355 -14.8813 -14.8813 -14.8813 -14.8813 -12.5767 -12.5767 -12.5767 -12.5767 -12.4350 -12.4350 -12.4350 -12.4350 -6.4487 -6.4487 -6.4486 -6.4486 -3.6520 -3.6520 -3.6517 -3.6517 -2.2675 -2.2675 -2.2672 -2.2672 -2.1902 -2.1902 -2.1898 -2.1898 2.0383 2.0383 2.0398 2.0398 3.0403 3.0403 3.0440 3.0440 3.4415 3.4415 3.4417 3.4417 4.1846 4.1846 4.1850 4.1850 5.1243 5.1243 5.1257 5.1257 5.5523 5.5523 5.5564 5.5564 6.4445 6.4445 6.4465 6.4465 7.1184 7.1184 7.1193 7.1193 15.5658 15.5658 15.5668 15.5668 15.8440 15.8440 15.8452 15.8452 17.1686 17.1686 17.1688 17.1688 k = 0.1795 0.5000 0.3956 ( 3036 PWs) bands (ev): -16.7147 -16.7147 -16.7147 -16.7147 -14.8993 -14.8993 -14.8992 -14.8992 -12.5960 -12.5960 -12.5960 -12.5960 -12.4442 -12.4442 -12.4442 -12.4442 -6.3983 -6.3983 -6.3983 -6.3983 -3.6919 -3.6919 -3.6917 -3.6917 -2.2471 -2.2471 -2.2467 -2.2467 -2.1635 -2.1635 -2.1631 -2.1631 2.0343 2.0343 2.0359 2.0359 3.0316 3.0316 3.0354 3.0354 3.4145 3.4145 3.4147 3.4147 4.1895 4.1895 4.1900 4.1900 5.0936 5.0936 5.0950 5.0950 5.5540 5.5540 5.5582 5.5582 6.4673 6.4673 6.4693 6.4693 7.1214 7.1214 7.1222 7.1222 15.5684 15.5684 15.5694 15.5694 15.8555 15.8555 15.8569 15.8569 17.1901 17.1901 17.1903 17.1903 k = 0.1923 0.5000 0.3956 ( 3036 PWs) bands (ev): -16.6925 -16.6925 -16.6924 -16.6924 -14.9189 -14.9189 -14.9188 -14.9188 -12.6153 -12.6153 -12.6153 -12.6153 -12.4539 -12.4539 -12.4539 -12.4539 -6.3457 -6.3457 -6.3457 -6.3457 -3.7329 -3.7329 -3.7327 -3.7327 -2.2255 -2.2255 -2.2251 -2.2251 -2.1369 -2.1369 -2.1365 -2.1365 2.0302 2.0302 2.0318 2.0318 3.0243 3.0243 3.0283 3.0283 3.3852 3.3852 3.3853 3.3853 4.1938 4.1938 4.1944 4.1944 5.0629 5.0629 5.0643 5.0643 5.5542 5.5542 5.5584 5.5584 6.4916 6.4916 6.4937 6.4937 7.1241 7.1241 7.1250 7.1250 15.5723 15.5723 15.5734 15.5734 15.8674 15.8674 15.8689 15.8689 17.2132 17.2132 17.2134 17.2134 k = 0.2051 0.5000 0.3956 ( 3036 PWs) bands (ev): -16.6688 -16.6688 -16.6688 -16.6688 -14.9401 -14.9401 -14.9401 -14.9401 -12.6342 -12.6342 -12.6342 -12.6342 -12.4641 -12.4641 -12.4641 -12.4641 -6.2912 -6.2912 -6.2911 -6.2911 -3.7749 -3.7749 -3.7747 -3.7747 -2.2030 -2.2030 -2.2026 -2.2026 -2.1105 -2.1105 -2.1101 -2.1101 2.0261 2.0261 2.0277 2.0277 3.0187 3.0187 3.0228 3.0228 3.3536 3.3536 3.3538 3.3538 4.1969 4.1969 4.1976 4.1976 5.0327 5.0327 5.0342 5.0342 5.5527 5.5527 5.5570 5.5570 6.5174 6.5174 6.5194 6.5194 7.1266 7.1266 7.1275 7.1275 15.5776 15.5776 15.5788 15.5788 15.8796 15.8796 15.8811 15.8811 17.2378 17.2378 17.2381 17.2381 k = 0.2179 0.5000 0.3956 ( 3036 PWs) bands (ev): -16.6437 -16.6437 -16.6437 -16.6437 -14.9631 -14.9631 -14.9631 -14.9631 -12.6527 -12.6527 -12.6527 -12.6527 -12.4749 -12.4749 -12.4749 -12.4749 -6.2349 -6.2349 -6.2348 -6.2348 -3.8176 -3.8176 -3.8174 -3.8174 -2.1797 -2.1797 -2.1793 -2.1793 -2.0845 -2.0845 -2.0840 -2.0840 2.0221 2.0221 2.0237 2.0237 3.0150 3.0150 3.0191 3.0191 3.3200 3.3200 3.3201 3.3201 4.1982 4.1982 4.1989 4.1989 5.0038 5.0038 5.0054 5.0054 5.5496 5.5496 5.5539 5.5539 6.5443 6.5443 6.5462 6.5462 7.1288 7.1288 7.1297 7.1297 15.5846 15.5846 15.5858 15.5858 15.8919 15.8919 15.8935 15.8935 17.2640 17.2640 17.2643 17.2643 k = 0.2308 0.5000 0.3956 ( 3032 PWs) bands (ev): -16.6172 -16.6172 -16.6172 -16.6172 -14.9878 -14.9878 -14.9877 -14.9877 -12.6704 -12.6704 -12.6704 -12.6704 -12.4860 -12.4860 -12.4860 -12.4860 -6.1771 -6.1771 -6.1770 -6.1770 -3.8611 -3.8611 -3.8608 -3.8608 -2.1557 -2.1557 -2.1552 -2.1552 -2.0588 -2.0588 -2.0584 -2.0584 2.0184 2.0184 2.0201 2.0201 3.0131 3.0131 3.0173 3.0173 3.2845 3.2845 3.2846 3.2846 4.1970 4.1970 4.1978 4.1978 4.9770 4.9770 4.9786 4.9786 5.5449 5.5449 5.5491 5.5491 6.5721 6.5721 6.5740 6.5740 7.1307 7.1307 7.1317 7.1317 15.5930 15.5930 15.5943 15.5943 15.9042 15.9042 15.9059 15.9059 17.2919 17.2919 17.2922 17.2922 k = 0.2436 0.5000 0.3956 ( 3032 PWs) bands (ev): -16.5894 -16.5894 -16.5894 -16.5894 -15.0141 -15.0141 -15.0141 -15.0141 -12.6873 -12.6873 -12.6873 -12.6873 -12.4976 -12.4976 -12.4976 -12.4976 -6.1179 -6.1179 -6.1179 -6.1179 -3.9052 -3.9052 -3.9050 -3.9050 -2.1312 -2.1312 -2.1307 -2.1307 -2.0338 -2.0338 -2.0333 -2.0333 2.0151 2.0151 2.0168 2.0168 3.0134 3.0134 3.0176 3.0176 3.2471 3.2471 3.2471 3.2471 4.1926 4.1926 4.1933 4.1933 4.9531 4.9531 4.9547 4.9547 5.5385 5.5385 5.5426 5.5426 6.6007 6.6007 6.6024 6.6024 7.1323 7.1323 7.1332 7.1332 15.6031 15.6031 15.6044 15.6044 15.9163 15.9163 15.9182 15.9182 17.3213 17.3213 17.3217 17.3217 k = 0.2564 0.5000 0.3956 ( 3032 PWs) bands (ev): -16.5602 -16.5602 -16.5602 -16.5602 -15.0422 -15.0422 -15.0422 -15.0422 -12.7031 -12.7031 -12.7031 -12.7031 -12.5096 -12.5096 -12.5096 -12.5096 -6.0578 -6.0578 -6.0577 -6.0577 -3.9499 -3.9499 -3.9497 -3.9497 -2.1062 -2.1062 -2.1057 -2.1057 -2.0094 -2.0094 -2.0089 -2.0089 2.0126 2.0126 2.0143 2.0143 3.0158 3.0158 3.0200 3.0200 3.2080 3.2080 3.2080 3.2080 4.1842 4.1842 4.1849 4.1849 4.9329 4.9329 4.9344 4.9344 5.5306 5.5306 5.5347 5.5347 6.6297 6.6297 6.6314 6.6314 7.1335 7.1335 7.1344 7.1344 15.6147 15.6147 15.6161 15.6161 15.9283 15.9283 15.9302 15.9302 17.3525 17.3525 17.3529 17.3529 k = 0.2692 0.5000 0.3956 ( 3032 PWs) bands (ev): -16.5298 -16.5298 -16.5297 -16.5297 -15.0720 -15.0720 -15.0720 -15.0720 -12.7178 -12.7178 -12.7178 -12.7178 -12.5220 -12.5220 -12.5219 -12.5219 -5.9967 -5.9967 -5.9966 -5.9966 -3.9952 -3.9952 -3.9950 -3.9950 -2.0810 -2.0810 -2.0804 -2.0804 -1.9857 -1.9857 -1.9852 -1.9852 2.0110 2.0110 2.0126 2.0126 3.0203 3.0203 3.0245 3.0245 3.1673 3.1673 3.1673 3.1673 4.1712 4.1712 4.1718 4.1718 4.9170 4.9170 4.9184 4.9184 5.5212 5.5212 5.5252 5.5252 6.6590 6.6590 6.6605 6.6605 7.1344 7.1344 7.1353 7.1353 15.6278 15.6278 15.6292 15.6292 15.9399 15.9399 15.9419 15.9419 17.3853 17.3853 17.3858 17.3858 k = 0.2821 0.5000 0.3956 ( 3028 PWs) bands (ev): -16.4980 -16.4980 -16.4980 -16.4980 -15.1035 -15.1035 -15.1034 -15.1034 -12.7313 -12.7313 -12.7313 -12.7313 -12.5346 -12.5346 -12.5346 -12.5346 -5.9349 -5.9349 -5.9349 -5.9349 -4.0411 -4.0411 -4.0408 -4.0408 -2.0557 -2.0557 -2.0551 -2.0551 -1.9629 -1.9629 -1.9623 -1.9623 2.0105 2.0105 2.0120 2.0120 3.0271 3.0271 3.0312 3.0312 3.1252 3.1252 3.1253 3.1253 4.1533 4.1533 4.1538 4.1538 4.9059 4.9059 4.9072 4.9072 5.5105 5.5105 5.5143 5.5143 6.6883 6.6883 6.6897 6.6897 7.1348 7.1348 7.1357 7.1357 15.6424 15.6424 15.6439 15.6439 15.9510 15.9510 15.9531 15.9531 17.4199 17.4199 17.4204 17.4204 k = 0.2949 0.5000 0.3956 ( 3024 PWs) bands (ev): -16.4650 -16.4650 -16.4650 -16.4650 -15.1365 -15.1365 -15.1364 -15.1364 -12.7433 -12.7433 -12.7433 -12.7433 -12.5475 -12.5475 -12.5475 -12.5475 -5.8727 -5.8727 -5.8726 -5.8726 -4.0874 -4.0874 -4.0872 -4.0872 -2.0305 -2.0305 -2.0299 -2.0299 -1.9409 -1.9409 -1.9403 -1.9403 2.0113 2.0113 2.0129 2.0129 3.0359 3.0359 3.0400 3.0400 3.0820 3.0820 3.0820 3.0820 4.1303 4.1303 4.1307 4.1307 4.8999 4.8999 4.9010 4.9010 5.4984 5.4984 5.5022 5.5022 6.7174 6.7174 6.7187 6.7187 7.1348 7.1348 7.1357 7.1357 15.6583 15.6583 15.6598 15.6598 15.9615 15.9615 15.9637 15.9637 17.4563 17.4563 17.4568 17.4568 k = 0.3077 0.5000 0.3956 ( 3032 PWs) bands (ev): -16.4309 -16.4309 -16.4309 -16.4309 -15.1711 -15.1711 -15.1710 -15.1710 -12.7540 -12.7540 -12.7540 -12.7540 -12.5606 -12.5606 -12.5606 -12.5606 -5.8100 -5.8100 -5.8100 -5.8100 -4.1343 -4.1343 -4.1341 -4.1341 -2.0056 -2.0056 -2.0049 -2.0049 -1.9199 -1.9199 -1.9193 -1.9193 2.0138 2.0138 2.0153 2.0153 3.0360 3.0360 3.0362 3.0362 3.0484 3.0484 3.0523 3.0523 4.1025 4.1025 4.1026 4.1026 4.8988 4.8988 4.8997 4.8997 5.4851 5.4851 5.4887 5.4887 6.7461 6.7461 6.7472 6.7472 7.1344 7.1344 7.1353 7.1353 15.6754 15.6754 15.6770 15.6770 15.9711 15.9711 15.9735 15.9735 17.4944 17.4944 17.4950 17.4950 k = 0.3205 0.5000 0.3956 ( 3036 PWs) bands (ev): -16.3956 -16.3956 -16.3955 -16.3955 -15.2071 -15.2071 -15.2071 -15.2071 -12.7632 -12.7632 -12.7632 -12.7632 -12.5739 -12.5739 -12.5739 -12.5739 -5.7472 -5.7472 -5.7471 -5.7471 -4.1817 -4.1817 -4.1814 -4.1814 -1.9811 -1.9811 -1.9804 -1.9804 -1.9000 -1.9000 -1.8994 -1.8994 2.0181 2.0181 2.0195 2.0195 2.9913 2.9913 2.9913 2.9913 3.0609 3.0609 3.0650 3.0650 4.0700 4.0700 4.0701 4.0701 4.9023 4.9023 4.9031 4.9031 5.4706 5.4706 5.4741 5.4741 6.7742 6.7742 6.7752 6.7752 7.1336 7.1336 7.1345 7.1345 15.6935 15.6935 15.6952 15.6952 15.9800 15.9800 15.9823 15.9823 17.5344 17.5344 17.5350 17.5350 k = 0.3333 0.5000 0.3956 ( 3040 PWs) bands (ev): -16.3591 -16.3591 -16.3591 -16.3591 -15.2446 -15.2446 -15.2445 -15.2445 -12.7708 -12.7708 -12.7708 -12.7708 -12.5873 -12.5873 -12.5873 -12.5873 -5.6843 -5.6843 -5.6843 -5.6843 -4.2295 -4.2295 -4.2293 -4.2293 -1.9572 -1.9572 -1.9564 -1.9564 -1.8812 -1.8812 -1.8805 -1.8805 2.0244 2.0244 2.0257 2.0257 2.9448 2.9448 2.9449 2.9449 3.0763 3.0763 3.0803 3.0803 4.0335 4.0335 4.0338 4.0338 4.9101 4.9101 4.9106 4.9106 5.4550 5.4550 5.4584 5.4584 6.8016 6.8016 6.8026 6.8026 7.1323 7.1323 7.1331 7.1331 15.7126 15.7126 15.7144 15.7144 15.9878 15.9878 15.9902 15.9902 17.5763 17.5763 17.5769 17.5769 k = 0.3462 0.5000 0.3956 ( 3048 PWs) bands (ev): -16.3217 -16.3217 -16.3216 -16.3216 -15.2833 -15.2833 -15.2833 -15.2833 -12.7770 -12.7770 -12.7770 -12.7770 -12.6008 -12.6008 -12.6008 -12.6008 -5.6216 -5.6216 -5.6215 -5.6215 -4.2779 -4.2779 -4.2777 -4.2777 -1.9341 -1.9341 -1.9333 -1.9333 -1.8635 -1.8635 -1.8629 -1.8629 2.0329 2.0329 2.0342 2.0342 2.8976 2.8976 2.8977 2.8977 3.0939 3.0939 3.0979 3.0979 3.9937 3.9937 3.9942 3.9942 4.9215 4.9215 4.9218 4.9218 5.4384 5.4384 5.4417 5.4417 6.8282 6.8282 6.8290 6.8290 7.1305 7.1305 7.1313 7.1313 15.7324 15.7324 15.7343 15.7343 15.9944 15.9944 15.9969 15.9969 17.6201 17.6201 17.6207 17.6207 k = 0.3590 0.5000 0.3956 ( 3052 PWs) bands (ev): -16.2831 -16.2831 -16.2831 -16.2831 -15.3233 -15.3233 -15.3232 -15.3232 -12.7817 -12.7817 -12.7817 -12.7817 -12.6143 -12.6143 -12.6143 -12.6143 -5.5589 -5.5589 -5.5588 -5.5588 -4.3268 -4.3268 -4.3266 -4.3266 -1.9119 -1.9119 -1.9111 -1.9111 -1.8471 -1.8471 -1.8465 -1.8465 2.0438 2.0438 2.0450 2.0450 2.8498 2.8498 2.8499 2.8499 3.1136 3.1136 3.1175 3.1175 3.9513 3.9513 3.9520 3.9520 4.9360 4.9360 4.9361 4.9361 5.4209 5.4209 5.4240 5.4240 6.8538 6.8538 6.8545 6.8545 7.1282 7.1282 7.1289 7.1289 15.7528 15.7528 15.7547 15.7547 15.9998 15.9998 16.0024 16.0024 17.6657 17.6657 17.6664 17.6664 k = 0.3718 0.5000 0.3956 ( 3056 PWs) bands (ev): -16.2436 -16.2436 -16.2436 -16.2436 -15.3643 -15.3643 -15.3643 -15.3643 -12.7848 -12.7848 -12.7848 -12.7848 -12.6277 -12.6277 -12.6277 -12.6277 -5.4966 -5.4966 -5.4965 -5.4965 -4.3762 -4.3762 -4.3760 -4.3760 -1.8909 -1.8909 -1.8901 -1.8901 -1.8321 -1.8321 -1.8314 -1.8314 2.0573 2.0573 2.0584 2.0584 2.8015 2.8015 2.8016 2.8016 3.1354 3.1354 3.1391 3.1391 3.9070 3.9070 3.9079 3.9079 4.9529 4.9529 4.9530 4.9530 5.4024 5.4024 5.4054 5.4054 6.8783 6.8783 6.8789 6.8789 7.1253 7.1253 7.1260 7.1260 15.7735 15.7735 15.7755 15.7755 16.0039 16.0039 16.0065 16.0065 17.7133 17.7133 17.7140 17.7140 k = 0.3846 0.5000 0.3956 ( 3056 PWs) bands (ev): -16.2032 -16.2032 -16.2032 -16.2032 -15.4063 -15.4063 -15.4063 -15.4063 -12.7866 -12.7866 -12.7865 -12.7865 -12.6411 -12.6411 -12.6410 -12.6410 -5.4347 -5.4347 -5.4345 -5.4345 -4.4261 -4.4261 -4.4259 -4.4259 -1.8712 -1.8712 -1.8704 -1.8704 -1.8184 -1.8184 -1.8177 -1.8177 2.0734 2.0734 2.0744 2.0744 2.7530 2.7530 2.7531 2.7531 3.1591 3.1591 3.1627 3.1627 3.8613 3.8613 3.8624 3.8624 4.9718 4.9718 4.9721 4.9721 5.3832 5.3832 5.3861 5.3861 6.9017 6.9017 6.9022 6.9022 7.1218 7.1218 7.1225 7.1225 15.7944 15.7944 15.7964 15.7964 16.0065 16.0065 16.0091 16.0091 17.7628 17.7628 17.7635 17.7635 k = 0.3974 0.5000 0.3956 ( 3048 PWs) bands (ev): -16.1620 -16.1620 -16.1619 -16.1619 -15.4492 -15.4492 -15.4492 -15.4492 -12.7869 -12.7869 -12.7869 -12.7869 -12.6542 -12.6542 -12.6542 -12.6542 -5.3732 -5.3732 -5.3730 -5.3730 -4.4766 -4.4766 -4.4764 -4.4764 -1.8529 -1.8529 -1.8520 -1.8520 -1.8062 -1.8062 -1.8055 -1.8055 2.0922 2.0922 2.0932 2.0932 2.7044 2.7044 2.7046 2.7046 3.1848 3.1848 3.1883 3.1883 3.8148 3.8148 3.8161 3.8161 4.9924 4.9924 4.9928 4.9928 5.3632 5.3632 5.3659 5.3659 6.9240 6.9240 6.9243 6.9243 7.1178 7.1178 7.1184 7.1184 15.8152 15.8152 15.8173 15.8173 16.0076 16.0076 16.0103 16.0103 17.8142 17.8142 17.8149 17.8149 k = 0.4103 0.5000 0.3956 ( 3048 PWs) bands (ev): -16.1199 -16.1199 -16.1199 -16.1199 -15.4928 -15.4928 -15.4928 -15.4928 -12.7858 -12.7858 -12.7858 -12.7858 -12.6672 -12.6672 -12.6672 -12.6672 -5.3122 -5.3122 -5.3120 -5.3120 -4.5277 -4.5277 -4.5275 -4.5275 -1.8362 -1.8362 -1.8353 -1.8353 -1.7955 -1.7955 -1.7948 -1.7948 2.1138 2.1138 2.1147 2.1147 2.6560 2.6560 2.6562 2.6562 3.2124 3.2124 3.2158 3.2158 3.7679 3.7679 3.7694 3.7694 5.0142 5.0142 5.0148 5.0148 5.3425 5.3425 5.3451 5.3451 6.9449 6.9449 6.9452 6.9452 7.1130 7.1130 7.1136 7.1136 15.8357 15.8357 15.8379 15.8379 16.0071 16.0071 16.0098 16.0098 17.8674 17.8674 17.8681 17.8681 k = 0.4231 0.5000 0.3956 ( 3044 PWs) bands (ev): -16.0771 -16.0771 -16.0771 -16.0771 -15.5371 -15.5371 -15.5371 -15.5371 -12.7835 -12.7835 -12.7835 -12.7835 -12.6799 -12.6799 -12.6798 -12.6798 -5.2518 -5.2518 -5.2516 -5.2516 -4.5794 -4.5794 -4.5792 -4.5792 -1.8211 -1.8211 -1.8202 -1.8202 -1.7864 -1.7864 -1.7857 -1.7857 2.1382 2.1382 2.1390 2.1390 2.6079 2.6079 2.6081 2.6081 3.2419 3.2419 3.2452 3.2452 3.7211 3.7211 3.7227 3.7227 5.0370 5.0370 5.0378 5.0378 5.3211 5.3211 5.3236 5.3236 6.9646 6.9646 6.9648 6.9648 7.1075 7.1075 7.1081 7.1081 15.8558 15.8558 15.8580 15.8580 16.0049 16.0049 16.0077 16.0077 17.9223 17.9223 17.9230 17.9230 k = 0.4359 0.5000 0.3956 ( 3044 PWs) bands (ev): -16.0337 -16.0337 -16.0337 -16.0337 -15.5819 -15.5819 -15.5818 -15.5818 -12.7799 -12.7799 -12.7799 -12.7799 -12.6922 -12.6922 -12.6922 -12.6922 -5.1920 -5.1920 -5.1918 -5.1918 -4.6317 -4.6317 -4.6315 -4.6315 -1.8078 -1.8078 -1.8069 -1.8069 -1.7790 -1.7790 -1.7783 -1.7783 2.1653 2.1653 2.1661 2.1661 2.5603 2.5603 2.5606 2.5606 3.2732 3.2732 3.2764 3.2764 3.6746 3.6746 3.6764 3.6764 5.0605 5.0605 5.0615 5.0615 5.2991 5.2991 5.3014 5.3014 6.9830 6.9830 6.9831 6.9831 7.1012 7.1012 7.1017 7.1017 15.8752 15.8752 15.8775 15.8775 16.0011 16.0011 16.0038 16.0038 17.9788 17.9788 17.9795 17.9796 k = 0.4487 0.5000 0.3956 ( 3044 PWs) bands (ev): -15.9897 -15.9897 -15.9897 -15.9897 -15.6271 -15.6271 -15.6270 -15.6270 -12.7751 -12.7751 -12.7751 -12.7751 -12.7041 -12.7041 -12.7040 -12.7040 -5.1328 -5.1328 -5.1327 -5.1327 -4.6846 -4.6846 -4.6844 -4.6844 -1.7963 -1.7963 -1.7954 -1.7954 -1.7733 -1.7733 -1.7726 -1.7726 2.1951 2.1951 2.1959 2.1959 2.5136 2.5136 2.5139 2.5139 3.3064 3.3064 3.3095 3.3095 3.6288 3.6288 3.6307 3.6307 5.0845 5.0845 5.0856 5.0856 5.2765 5.2765 5.2788 5.2788 7.0001 7.0001 7.0002 7.0002 7.0941 7.0941 7.0946 7.0946 15.8938 15.8938 15.8961 15.8961 15.9955 15.9956 15.9983 15.9983 18.0367 18.0367 18.0375 18.0375 k = 0.4615 0.5000 0.3956 ( 3040 PWs) bands (ev): -15.9452 -15.9452 -15.9451 -15.9451 -15.6725 -15.6725 -15.6725 -15.6725 -12.7693 -12.7693 -12.7693 -12.7693 -12.7154 -12.7154 -12.7154 -12.7154 -5.0743 -5.0743 -5.0742 -5.0742 -4.7382 -4.7382 -4.7380 -4.7380 -1.7868 -1.7868 -1.7858 -1.7858 -1.7693 -1.7693 -1.7687 -1.7687 2.2275 2.2275 2.2282 2.2282 2.4678 2.4678 2.4682 2.4682 3.3412 3.3412 3.3442 3.3442 3.5838 3.5838 3.5859 3.5859 5.1088 5.1088 5.1101 5.1101 5.2535 5.2535 5.2556 5.2556 7.0160 7.0160 7.0160 7.0160 7.0861 7.0861 7.0865 7.0865 15.9113 15.9113 15.9138 15.9138 15.9883 15.9883 15.9910 15.9910 18.0958 18.0958 18.0966 18.0966 k = 0.4744 0.5000 0.3956 ( 3040 PWs) bands (ev): -15.9002 -15.9002 -15.9002 -15.9002 -15.7181 -15.7181 -15.7181 -15.7181 -12.7624 -12.7624 -12.7624 -12.7624 -12.7263 -12.7263 -12.7263 -12.7263 -5.0165 -5.0165 -5.0164 -5.0164 -4.7925 -4.7925 -4.7923 -4.7923 -1.7793 -1.7793 -1.7782 -1.7782 -1.7672 -1.7672 -1.7666 -1.7666 2.2624 2.2624 2.2630 2.2630 2.4234 2.4234 2.4238 2.4238 3.3778 3.3778 3.3807 3.3807 3.5399 3.5399 3.5421 3.5421 5.1332 5.1332 5.1347 5.1347 5.2300 5.2300 5.2320 5.2320 7.0305 7.0305 7.0306 7.0306 7.0771 7.0771 7.0775 7.0775 15.9277 15.9277 15.9302 15.9302 15.9793 15.9793 15.9820 15.9820 18.1559 18.1559 18.1567 18.1567 k = 0.4872 0.5000 0.3956 ( 3052 PWs) bands (ev): -15.8550 -15.8550 -15.8549 -15.8549 -15.7638 -15.7638 -15.7638 -15.7638 -12.7546 -12.7546 -12.7546 -12.7546 -12.7365 -12.7365 -12.7364 -12.7364 -4.9595 -4.9595 -4.9593 -4.9593 -4.8474 -4.8474 -4.8473 -4.8473 -1.7740 -1.7740 -1.7727 -1.7727 -1.7667 -1.7667 -1.7663 -1.7663 2.2995 2.2995 2.3000 2.3000 2.3805 2.3805 2.3810 2.3810 3.4160 3.4160 3.4188 3.4188 3.4974 3.4974 3.4996 3.4996 5.1576 5.1576 5.1592 5.1592 5.2062 5.2062 5.2080 5.2080 7.0438 7.0438 7.0440 7.0440 7.0671 7.0671 7.0674 7.0674 15.9428 15.9428 15.9453 15.9453 15.9687 15.9687 15.9714 15.9714 18.2164 18.2164 18.2172 18.2172 k = 0.5000 0.5000 0.3956 ( 3048 PWs) bands (ev): -15.8097 -15.8097 -15.8095 -15.8095 -15.8094 -15.8094 -15.8093 -15.8093 -12.7462 -12.7462 -12.7461 -12.7461 -12.7457 -12.7457 -12.7457 -12.7457 -4.9036 -4.9036 -4.9035 -4.9035 -4.9027 -4.9027 -4.9023 -4.9023 -1.7718 -1.7718 -1.7701 -1.7701 -1.7670 -1.7670 -1.7670 -1.7670 2.3354 2.3354 2.3354 2.3354 2.3427 2.3427 2.3437 2.3437 3.4525 3.4525 3.4576 3.4576 3.4594 3.4594 3.4594 3.4594 5.1803 5.1803 5.1837 5.1837 5.1838 5.1838 5.1838 5.1838 7.0554 7.0554 7.0554 7.0554 7.0566 7.0566 7.0571 7.0571 15.9555 15.9555 15.9574 15.9574 15.9576 15.9576 15.9607 15.9607 18.2759 18.2767 18.2772 18.2788 k = 0.5000 0.5000 0.3956 ( 3048 PWs) bands (ev): -15.8097 -15.8097 -15.8095 -15.8095 -15.8094 -15.8094 -15.8093 -15.8093 -12.7462 -12.7462 -12.7461 -12.7461 -12.7457 -12.7457 -12.7457 -12.7457 -4.9036 -4.9036 -4.9035 -4.9035 -4.9027 -4.9027 -4.9023 -4.9023 -1.7718 -1.7718 -1.7701 -1.7701 -1.7670 -1.7670 -1.7670 -1.7670 2.3354 2.3354 2.3354 2.3354 2.3427 2.3427 2.3437 2.3437 3.4525 3.4525 3.4576 3.4576 3.4594 3.4594 3.4594 3.4594 5.1803 5.1803 5.1837 5.1837 5.1838 5.1838 5.1838 5.1838 7.0554 7.0554 7.0554 7.0554 7.0566 7.0566 7.0571 7.0571 15.9555 15.9555 15.9574 15.9574 15.9576 15.9576 15.9607 15.9607 18.2762 18.2777 18.2783 18.2787 k = 0.4911 0.4911 0.3956 ( 3056 PWs) bands (ev): -15.8543 -15.8543 -15.8543 -15.8543 -15.7645 -15.7645 -15.7645 -15.7645 -12.7545 -12.7545 -12.7545 -12.7545 -12.7366 -12.7366 -12.7366 -12.7366 -4.9586 -4.9586 -4.9584 -4.9584 -4.8483 -4.8483 -4.8481 -4.8481 -1.7740 -1.7740 -1.7726 -1.7726 -1.7667 -1.7667 -1.7663 -1.7663 2.3001 2.3001 2.3006 2.3006 2.3798 2.3798 2.3803 2.3803 3.4166 3.4166 3.4194 3.4194 3.4967 3.4967 3.4990 3.4990 5.1580 5.1580 5.1596 5.1596 5.2059 5.2059 5.2076 5.2076 7.0440 7.0440 7.0442 7.0442 7.0669 7.0669 7.0673 7.0673 15.9430 15.9430 15.9455 15.9455 15.9685 15.9685 15.9712 15.9712 18.2172 18.2172 18.2181 18.2181 k = 0.4821 0.4821 0.3956 ( 3046 PWs) bands (ev): -15.8990 -15.8990 -15.8989 -15.8989 -15.7194 -15.7194 -15.7194 -15.7194 -12.7623 -12.7623 -12.7623 -12.7623 -12.7265 -12.7265 -12.7265 -12.7265 -5.0147 -5.0147 -5.0146 -5.0146 -4.7942 -4.7942 -4.7940 -4.7940 -1.7793 -1.7793 -1.7780 -1.7780 -1.7673 -1.7673 -1.7663 -1.7663 2.2635 2.2635 2.2641 2.2641 2.4220 2.4220 2.4224 2.4224 3.3791 3.3791 3.3821 3.3821 3.5384 3.5384 3.5407 3.5407 5.1340 5.1340 5.1355 5.1355 5.2293 5.2293 5.2312 5.2312 7.0308 7.0308 7.0311 7.0311 7.0767 7.0767 7.0773 7.0773 15.9284 15.9284 15.9309 15.9309 15.9788 15.9788 15.9815 15.9815 18.1575 18.1575 18.1585 18.1585 k = 0.4732 0.4732 0.3956 ( 3034 PWs) bands (ev): -15.9435 -15.9435 -15.9434 -15.9434 -15.6742 -15.6742 -15.6742 -15.6742 -12.7692 -12.7692 -12.7692 -12.7692 -12.7157 -12.7157 -12.7157 -12.7157 -5.0714 -5.0714 -5.0713 -5.0713 -4.7410 -4.7410 -4.7408 -4.7408 -1.7870 -1.7870 -1.7855 -1.7855 -1.7693 -1.7693 -1.7680 -1.7680 2.2292 2.2292 2.2299 2.2299 2.4655 2.4655 2.4660 2.4660 3.3435 3.3435 3.3467 3.3467 3.5812 3.5812 3.5835 3.5835 5.1100 5.1100 5.1114 5.1114 5.2523 5.2523 5.2544 5.2544 7.0163 7.0163 7.0168 7.0168 7.0856 7.0856 7.0864 7.0864 15.9129 15.9129 15.9153 15.9153 15.9870 15.9870 15.9897 15.9897 18.0981 18.0981 18.0992 18.0992 k = 0.4643 0.4643 0.3956 ( 3038 PWs) bands (ev): -15.9878 -15.9878 -15.9877 -15.9877 -15.6289 -15.6289 -15.6289 -15.6289 -12.7754 -12.7754 -12.7754 -12.7754 -12.7043 -12.7043 -12.7042 -12.7042 -5.1286 -5.1286 -5.1284 -5.1284 -4.6886 -4.6886 -4.6884 -4.6884 -1.7969 -1.7969 -1.7951 -1.7951 -1.7729 -1.7729 -1.7712 -1.7712 2.1972 2.1972 2.1980 2.1980 2.5100 2.5100 2.5105 2.5105 3.3101 3.3101 3.3135 3.3135 3.6248 3.6248 3.6270 3.6270 5.0862 5.0862 5.0874 5.0874 5.2748 5.2748 5.2771 5.2771 7.0006 7.0006 7.0012 7.0012 7.0936 7.0936 7.0946 7.0946 15.8965 15.8965 15.8988 15.8988 15.9930 15.9930 15.9956 15.9956 18.0394 18.0394 18.0408 18.0408 k = 0.4554 0.4554 0.3956 ( 3038 PWs) bands (ev): -16.0318 -16.0318 -16.0318 -16.0318 -15.5836 -15.5836 -15.5835 -15.5835 -12.7808 -12.7808 -12.7807 -12.7807 -12.6921 -12.6921 -12.6921 -12.6921 -5.1862 -5.1862 -5.1861 -5.1861 -4.6371 -4.6371 -4.6369 -4.6369 -1.8090 -1.8090 -1.8069 -1.8069 -1.7779 -1.7779 -1.7759 -1.7759 2.1679 2.1679 2.1688 2.1688 2.5551 2.5551 2.5556 2.5556 3.2792 3.2792 3.2829 3.2829 3.6690 3.6690 3.6712 3.6712 5.0627 5.0627 5.0639 5.0639 5.2967 5.2967 5.2992 5.2992 6.9835 6.9835 6.9843 6.9843 7.1007 7.1007 7.1020 7.1020 15.8796 15.8796 15.8818 15.8818 15.9964 15.9964 15.9991 15.9991 17.9818 17.9818 17.9835 17.9835 k = 0.4464 0.4464 0.3956 ( 3042 PWs) bands (ev): -16.0757 -16.0757 -16.0756 -16.0756 -15.5381 -15.5381 -15.5381 -15.5381 -12.7853 -12.7853 -12.7852 -12.7852 -12.6794 -12.6794 -12.6794 -12.6794 -5.2442 -5.2442 -5.2440 -5.2440 -4.5866 -4.5866 -4.5864 -4.5864 -1.8232 -1.8232 -1.8209 -1.8209 -1.7843 -1.7843 -1.7821 -1.7821 2.1412 2.1412 2.1423 2.1423 2.6001 2.6001 2.6009 2.6009 3.2513 3.2513 3.2555 3.2555 3.7136 3.7136 3.7158 3.7158 5.0396 5.0396 5.0409 5.0409 5.3180 5.3180 5.3206 5.3206 6.9651 6.9651 6.9659 6.9659 7.1071 7.1071 7.1087 7.1087 15.8623 15.8623 15.8644 15.8644 15.9972 15.9972 15.9998 15.9998 17.9256 17.9256 17.9275 17.9275 k = 0.4375 0.4375 0.3956 ( 3038 PWs) bands (ev): -16.1192 -16.1192 -16.1192 -16.1192 -15.4927 -15.4927 -15.4926 -15.4926 -12.7890 -12.7890 -12.7889 -12.7889 -12.6661 -12.6661 -12.6661 -12.6661 -5.3025 -5.3025 -5.3023 -5.3023 -4.5371 -4.5371 -4.5369 -4.5369 -1.8395 -1.8395 -1.8370 -1.8370 -1.7921 -1.7921 -1.7897 -1.7897 2.1174 2.1174 2.1186 2.1186 2.6444 2.6444 2.6455 2.6455 3.2270 3.2270 3.2316 3.2316 3.7583 3.7583 3.7605 3.7605 5.0173 5.0173 5.0185 5.0185 5.3385 5.3385 5.3412 5.3412 6.9453 6.9453 6.9463 6.9463 7.1128 7.1128 7.1147 7.1147 15.8446 15.8446 15.8465 15.8465 15.9953 15.9953 15.9978 15.9978 17.8710 17.8710 17.8732 17.8732 k = 0.4286 0.4286 0.3956 ( 3038 PWs) bands (ev): -16.1625 -16.1625 -16.1624 -16.1624 -15.4471 -15.4471 -15.4471 -15.4471 -12.7918 -12.7918 -12.7918 -12.7918 -12.6523 -12.6523 -12.6522 -12.6522 -5.3610 -5.3610 -5.3608 -5.3608 -4.4887 -4.4887 -4.4885 -4.4885 -1.8580 -1.8580 -1.8553 -1.8553 -1.8012 -1.8012 -1.7985 -1.7985 2.0964 2.0964 2.0977 2.0977 2.6871 2.6871 2.6887 2.6887 3.2071 3.2071 3.2122 3.2122 3.8030 3.8030 3.8052 3.8052 4.9957 4.9957 4.9970 4.9970 5.3582 5.3582 5.3611 5.3611 6.9241 6.9241 6.9251 6.9251 7.1178 7.1178 7.1200 7.1200 15.8264 15.8264 15.8282 15.8282 15.9908 15.9908 15.9931 15.9931 17.8181 17.8181 17.8206 17.8206 k = 0.4196 0.4196 0.3956 ( 3038 PWs) bands (ev): -16.2054 -16.2054 -16.2054 -16.2054 -15.4016 -15.4016 -15.4015 -15.4015 -12.7939 -12.7939 -12.7938 -12.7938 -12.6380 -12.6380 -12.6379 -12.6379 -5.4197 -5.4197 -5.4195 -5.4195 -4.4415 -4.4415 -4.4412 -4.4412 -1.8785 -1.8785 -1.8757 -1.8757 -1.8115 -1.8115 -1.8086 -1.8086 2.0784 2.0784 2.0799 2.0799 2.7271 2.7271 2.7293 2.7293 3.1925 3.1925 3.1982 3.1982 3.8474 3.8474 3.8496 3.8496 4.9752 4.9752 4.9766 4.9766 5.3771 5.3771 5.3802 5.3802 6.9014 6.9014 6.9026 6.9026 7.1223 7.1223 7.1247 7.1247 15.8077 15.8077 15.8093 15.8093 15.9837 15.9837 15.9859 15.9859 17.7671 17.7671 17.7698 17.7698 k = 0.4107 0.4107 0.3956 ( 3034 PWs) bands (ev): -16.2480 -16.2480 -16.2479 -16.2479 -15.3560 -15.3560 -15.3559 -15.3559 -12.7952 -12.7952 -12.7951 -12.7951 -12.6233 -12.6233 -12.6232 -12.6232 -5.4785 -5.4785 -5.4783 -5.4783 -4.3954 -4.3954 -4.3950 -4.3950 -1.9010 -1.9010 -1.8981 -1.8981 -1.8228 -1.8228 -1.8199 -1.8199 2.0633 2.0633 2.0650 2.0650 2.7631 2.7631 2.7659 2.7659 3.1845 3.1845 3.1910 3.1910 3.8913 3.8913 3.8936 3.8936 4.9559 4.9559 4.9575 4.9575 5.3952 5.3952 5.3984 5.3984 6.8774 6.8774 6.8787 6.8787 7.1261 7.1261 7.1289 7.1289 15.7881 15.7881 15.7895 15.7895 15.9744 15.9744 15.9764 15.9764 17.7179 17.7179 17.7209 17.7209 k = 0.4018 0.4018 0.3956 ( 3030 PWs) bands (ev): -16.2902 -16.2902 -16.2901 -16.2901 -15.3105 -15.3105 -15.3104 -15.3104 -12.7956 -12.7956 -12.7955 -12.7955 -12.6083 -12.6083 -12.6082 -12.6082 -5.5373 -5.5373 -5.5371 -5.5371 -4.3505 -4.3505 -4.3502 -4.3502 -1.9255 -1.9255 -1.9225 -1.9225 -1.8353 -1.8353 -1.8322 -1.8322 2.0512 2.0512 2.0531 2.0531 2.7934 2.7934 2.7969 2.7969 3.1846 3.1846 3.1918 3.1918 3.9345 3.9345 3.9367 3.9367 4.9381 4.9381 4.9399 4.9399 5.4123 5.4123 5.4157 5.4157 6.8521 6.8521 6.8535 6.8535 7.1293 7.1293 7.1324 7.1324 15.7673 15.7673 15.7684 15.7684 15.9635 15.9635 15.9653 15.9653 17.6706 17.6706 17.6739 17.6739 k = 0.3929 0.3929 0.3956 ( 3030 PWs) bands (ev): -16.3320 -16.3320 -16.3319 -16.3319 -15.2649 -15.2649 -15.2648 -15.2648 -12.7953 -12.7953 -12.7952 -12.7952 -12.5929 -12.5929 -12.5929 -12.5929 -5.5961 -5.5961 -5.5959 -5.5959 -4.3069 -4.3069 -4.3065 -4.3065 -1.9518 -1.9518 -1.9487 -1.9487 -1.8488 -1.8488 -1.8456 -1.8456 2.0421 2.0421 2.0441 2.0441 2.8169 2.8169 2.8210 2.8210 3.1940 3.1940 3.2017 3.2017 3.9766 3.9766 3.9789 3.9789 4.9220 4.9220 4.9240 4.9240 5.4286 5.4286 5.4321 5.4321 6.8253 6.8253 6.8269 6.8269 7.1320 7.1320 7.1354 7.1354 15.7447 15.7447 15.7456 15.7456 15.9517 15.9517 15.9532 15.9532 17.6252 17.6252 17.6287 17.6287 k = 0.3839 0.3839 0.3956 ( 3034 PWs) bands (ev): -16.3734 -16.3734 -16.3733 -16.3733 -15.2193 -15.2193 -15.2192 -15.2192 -12.7942 -12.7942 -12.7941 -12.7941 -12.5774 -12.5774 -12.5773 -12.5773 -5.6547 -5.6547 -5.6546 -5.6546 -4.2646 -4.2646 -4.2642 -4.2642 -1.9799 -1.9799 -1.9767 -1.9767 -1.8632 -1.8632 -1.8599 -1.8599 2.0360 2.0360 2.0381 2.0381 2.8331 2.8331 2.8377 2.8377 3.2130 3.2130 3.2209 3.2209 4.0175 4.0175 4.0198 4.0198 4.9078 4.9078 4.9100 4.9100 5.4439 5.4439 5.4475 5.4475 6.7974 6.7974 6.7990 6.7990 7.1341 7.1341 7.1378 7.1378 15.7196 15.7196 15.7204 15.7204 15.9398 15.9398 15.9409 15.9409 17.5814 17.5814 17.5852 17.5852 k = 0.3750 0.3750 0.3956 ( 3028 PWs) bands (ev): -16.4143 -16.4143 -16.4142 -16.4142 -15.1737 -15.1737 -15.1736 -15.1736 -12.7924 -12.7924 -12.7923 -12.7923 -12.5617 -12.5617 -12.5616 -12.5616 -5.7132 -5.7132 -5.7131 -5.7131 -4.2236 -4.2236 -4.2232 -4.2232 -2.0096 -2.0096 -2.0063 -2.0063 -1.8784 -1.8784 -1.8751 -1.8751 2.0327 2.0327 2.0350 2.0350 2.8428 2.8428 2.8477 2.8477 3.2407 3.2407 3.2488 3.2488 4.0568 4.0568 4.0592 4.0592 4.8958 4.8958 4.8983 4.8983 5.4583 5.4583 5.4621 5.4621 6.7682 6.7682 6.7699 6.7699 7.1357 7.1357 7.1397 7.1397 15.6915 15.6915 15.6923 15.6923 15.9285 15.9285 15.9294 15.9294 17.5393 17.5393 17.5433 17.5433 k = 0.3661 0.3661 0.3956 ( 3028 PWs) bands (ev): -16.4547 -16.4547 -16.4546 -16.4546 -15.1281 -15.1281 -15.1280 -15.1280 -12.7899 -12.7899 -12.7898 -12.7898 -12.5459 -12.5459 -12.5458 -12.5458 -5.7715 -5.7715 -5.7713 -5.7713 -4.1840 -4.1840 -4.1836 -4.1836 -2.0408 -2.0408 -2.0375 -2.0375 -1.8944 -1.8944 -1.8910 -1.8910 2.0322 2.0322 2.0348 2.0348 2.8473 2.8473 2.8524 2.8524 3.2756 3.2756 3.2836 3.2836 4.0943 4.0943 4.0967 4.0967 4.8863 4.8863 4.8891 4.8891 5.4718 5.4718 5.4758 5.4758 6.7379 6.7379 6.7398 6.7398 7.1366 7.1366 7.1409 7.1409 15.6597 15.6597 15.6607 15.6607 15.9188 15.9188 15.9194 15.9194 17.4988 17.4988 17.5030 17.5030 k = 0.3571 0.3571 0.3956 ( 3024 PWs) bands (ev): -16.4945 -16.4945 -16.4945 -16.4945 -15.0826 -15.0826 -15.0824 -15.0824 -12.7866 -12.7866 -12.7865 -12.7865 -12.5301 -12.5301 -12.5300 -12.5300 -5.8294 -5.8294 -5.8293 -5.8293 -4.1458 -4.1458 -4.1454 -4.1454 -2.0733 -2.0733 -2.0700 -2.0700 -1.9111 -1.9111 -1.9077 -1.9077 2.0345 2.0345 2.0372 2.0372 2.8483 2.8483 2.8534 2.8534 3.3157 3.3157 3.3236 3.3236 4.1297 4.1297 4.1322 4.1322 4.8795 4.8795 4.8827 4.8827 5.4845 5.4845 5.4886 5.4886 6.7065 6.7065 6.7086 6.7086 7.1370 7.1370 7.1416 7.1416 15.6242 15.6242 15.6254 15.6254 15.9111 15.9111 15.9115 15.9115 17.4597 17.4597 17.4641 17.4641 k = 0.3482 0.3482 0.3956 ( 3032 PWs) bands (ev): -16.5339 -16.5339 -16.5338 -16.5338 -15.0371 -15.0371 -15.0369 -15.0369 -12.7828 -12.7828 -12.7826 -12.7826 -12.5144 -12.5144 -12.5142 -12.5142 -5.8870 -5.8870 -5.8869 -5.8869 -4.1091 -4.1091 -4.1086 -4.1086 -2.1071 -2.1071 -2.1037 -2.1037 -1.9284 -1.9284 -1.9250 -1.9250 2.0394 2.0394 2.0423 2.0423 2.8471 2.8471 2.8523 2.8523 3.3595 3.3595 3.3672 3.3672 4.1627 4.1627 4.1652 4.1652 4.8757 4.8757 4.8792 4.8792 5.4963 5.4963 5.5005 5.5005 6.6742 6.6742 6.6764 6.6764 7.1367 7.1367 7.1416 7.1416 15.5848 15.5848 15.5862 15.5862 15.9058 15.9058 15.9062 15.9062 17.4218 17.4218 17.4265 17.4265 k = 0.3393 0.3393 0.3956 ( 3032 PWs) bands (ev): -16.5726 -16.5726 -16.5725 -16.5725 -14.9916 -14.9916 -14.9914 -14.9914 -12.7782 -12.7782 -12.7781 -12.7781 -12.4988 -12.4988 -12.4986 -12.4986 -5.9441 -5.9441 -5.9440 -5.9440 -4.0739 -4.0739 -4.0733 -4.0733 -2.1419 -2.1419 -2.1386 -2.1386 -1.9462 -1.9462 -1.9428 -1.9428 2.0468 2.0468 2.0498 2.0498 2.8449 2.8449 2.8502 2.8502 3.4056 3.4056 3.4131 3.4131 4.1931 4.1931 4.1957 4.1957 4.8750 4.8750 4.8790 4.8790 5.5072 5.5072 5.5117 5.5117 6.6410 6.6410 6.6434 6.6434 7.1358 7.1358 7.1409 7.1409 15.5417 15.5417 15.5434 15.5434 15.9030 15.9030 15.9036 15.9036 17.3852 17.3852 17.3901 17.3901 k = 0.3304 0.3304 0.3956 ( 3032 PWs) bands (ev): -16.6107 -16.6107 -16.6107 -16.6107 -14.9461 -14.9461 -14.9460 -14.9460 -12.7731 -12.7731 -12.7729 -12.7729 -12.4834 -12.4834 -12.4833 -12.4833 -6.0007 -6.0007 -6.0006 -6.0006 -4.0401 -4.0401 -4.0396 -4.0396 -2.1777 -2.1777 -2.1743 -2.1743 -1.9645 -1.9645 -1.9610 -1.9610 2.0565 2.0565 2.0597 2.0597 2.8424 2.8424 2.8478 2.8478 3.4531 3.4531 3.4604 3.4604 4.2206 4.2206 4.2233 4.2233 4.8777 4.8777 4.8821 4.8821 5.5174 5.5174 5.5221 5.5221 6.6071 6.6071 6.6097 6.6097 7.1342 7.1342 7.1396 7.1396 15.4953 15.4953 15.4971 15.4971 15.9029 15.9029 15.9037 15.9037 17.3498 17.3498 17.3548 17.3548 k = 0.3214 0.3214 0.3956 ( 3036 PWs) bands (ev): -16.6482 -16.6482 -16.6482 -16.6482 -14.9007 -14.9007 -14.9006 -14.9006 -12.7673 -12.7673 -12.7672 -12.7672 -12.4683 -12.4683 -12.4682 -12.4682 -6.0568 -6.0568 -6.0566 -6.0566 -4.0079 -4.0079 -4.0073 -4.0073 -2.2142 -2.2142 -2.2108 -2.2108 -1.9832 -1.9832 -1.9797 -1.9797 2.0685 2.0685 2.0718 2.0718 2.8403 2.8403 2.8457 2.8457 3.5012 3.5012 3.5084 3.5084 4.2453 4.2453 4.2481 4.2481 4.8838 4.8838 4.8886 4.8886 5.5268 5.5268 5.5318 5.5318 6.5725 6.5725 6.5753 6.5753 7.1320 7.1320 7.1375 7.1375 15.4459 15.4459 15.4478 15.4478 15.9054 15.9054 15.9063 15.9063 17.3155 17.3155 17.3207 17.3207 k = 0.3125 0.3125 0.3956 ( 3042 PWs) bands (ev): -16.6851 -16.6851 -16.6850 -16.6850 -14.8554 -14.8554 -14.8553 -14.8553 -12.7611 -12.7611 -12.7609 -12.7609 -12.4536 -12.4536 -12.4535 -12.4535 -6.1121 -6.1121 -6.1120 -6.1120 -3.9773 -3.9773 -3.9767 -3.9767 -2.2513 -2.2513 -2.2478 -2.2478 -2.0021 -2.0021 -1.9986 -1.9986 2.0824 2.0824 2.0859 2.0859 2.8387 2.8387 2.8443 2.8443 3.5495 3.5495 3.5567 3.5567 4.2671 4.2671 4.2701 4.2701 4.8931 4.8931 4.8984 4.8984 5.5356 5.5356 5.5408 5.5408 6.5375 6.5375 6.5405 6.5405 7.1290 7.1290 7.1347 7.1347 15.3939 15.3939 15.3959 15.3959 15.9103 15.9103 15.9113 15.9113 17.2823 17.2823 17.2876 17.2876 k = 0.3036 0.3036 0.3956 ( 3050 PWs) bands (ev): -16.7212 -16.7212 -16.7211 -16.7211 -14.8102 -14.8102 -14.8100 -14.8100 -12.7543 -12.7543 -12.7541 -12.7541 -12.4394 -12.4394 -12.4392 -12.4392 -6.1668 -6.1668 -6.1667 -6.1667 -3.9483 -3.9483 -3.9476 -3.9476 -2.2888 -2.2888 -2.2853 -2.2853 -2.0212 -2.0212 -2.0177 -2.0177 2.0982 2.0982 2.1018 2.1018 2.8380 2.8380 2.8437 2.8437 3.5976 3.5976 3.6047 3.6047 4.2861 4.2861 4.2892 4.2892 4.9056 4.9056 4.9114 4.9114 5.5438 5.5438 5.5493 5.5493 6.5021 6.5021 6.5054 6.5054 7.1252 7.1252 7.1312 7.1312 15.3397 15.3397 15.3418 15.3418 15.9176 15.9176 15.9186 15.9186 17.2502 17.2502 17.2557 17.2557 k = 0.2946 0.2946 0.3956 ( 3054 PWs) bands (ev): -16.7566 -16.7566 -16.7565 -16.7565 -14.7651 -14.7651 -14.7649 -14.7649 -12.7470 -12.7470 -12.7469 -12.7469 -12.4257 -12.4257 -12.4255 -12.4255 -6.2207 -6.2207 -6.2206 -6.2206 -3.9208 -3.9208 -3.9202 -3.9202 -2.3265 -2.3265 -2.3230 -2.3230 -2.0405 -2.0405 -2.0369 -2.0369 2.1156 2.1156 2.1193 2.1193 2.8384 2.8384 2.8442 2.8442 3.6451 3.6451 3.6522 3.6522 4.3025 4.3025 4.3057 4.3057 4.9209 4.9209 4.9271 4.9271 5.5514 5.5514 5.5573 5.5573 6.4666 6.4666 6.4701 6.4701 7.1207 7.1207 7.1268 7.1268 15.2837 15.2837 15.2858 15.2858 15.9271 15.9271 15.9282 15.9282 17.2192 17.2192 17.2248 17.2248 k = 0.2857 0.2857 0.3956 ( 3052 PWs) bands (ev): -16.7913 -16.7913 -16.7912 -16.7912 -14.7200 -14.7200 -14.7199 -14.7199 -12.7393 -12.7393 -12.7392 -12.7392 -12.4126 -12.4126 -12.4124 -12.4124 -6.2737 -6.2737 -6.2736 -6.2736 -3.8951 -3.8951 -3.8943 -3.8943 -2.3643 -2.3643 -2.3607 -2.3607 -2.0598 -2.0598 -2.0562 -2.0562 2.1345 2.1345 2.1382 2.1382 2.8399 2.8399 2.8458 2.8458 3.6920 3.6920 3.6990 3.6990 4.3167 4.3167 4.3200 4.3200 4.9386 4.9386 4.9452 4.9452 5.5586 5.5586 5.5650 5.5650 6.4309 6.4309 6.4347 6.4347 7.1154 7.1154 7.1217 7.1217 15.2262 15.2262 15.2283 15.2283 15.9386 15.9386 15.9398 15.9398 17.1893 17.1893 17.1951 17.1951 k = 0.2768 0.2768 0.3956 ( 3052 PWs) bands (ev): -16.8251 -16.8251 -16.8250 -16.8250 -14.6751 -14.6751 -14.6750 -14.6750 -12.7312 -12.7312 -12.7310 -12.7310 -12.4001 -12.4001 -12.3999 -12.3999 -6.3257 -6.3257 -6.3257 -6.3257 -3.8710 -3.8710 -3.8702 -3.8702 -2.4019 -2.4019 -2.3983 -2.3983 -2.0790 -2.0790 -2.0754 -2.0754 2.1545 2.1545 2.1584 2.1584 2.8427 2.8427 2.8487 2.8487 3.7380 3.7380 3.7450 3.7450 4.3288 4.3288 4.3322 4.3322 4.9582 4.9582 4.9652 4.9652 5.5656 5.5656 5.5724 5.5724 6.3953 6.3953 6.3993 6.3993 7.1094 7.1094 7.1158 7.1158 15.1676 15.1676 15.1697 15.1697 15.9521 15.9521 15.9532 15.9532 17.1607 17.1607 17.1666 17.1666 k = 0.2679 0.2679 0.3956 ( 3056 PWs) bands (ev): -16.8582 -16.8582 -16.8581 -16.8581 -14.6304 -14.6304 -14.6302 -14.6302 -12.7228 -12.7228 -12.7226 -12.7226 -12.3884 -12.3884 -12.3882 -12.3882 -6.3768 -6.3768 -6.3768 -6.3768 -3.8486 -3.8486 -3.8478 -3.8478 -2.4392 -2.4392 -2.4356 -2.4356 -2.0982 -2.0982 -2.0946 -2.0946 2.1755 2.1755 2.1795 2.1795 2.8467 2.8467 2.8528 2.8528 3.7830 3.7830 3.7901 3.7901 4.3393 4.3393 4.3428 4.3428 4.9792 4.9792 4.9866 4.9866 5.5723 5.5723 5.5797 5.5797 6.3598 6.3598 6.3642 6.3642 7.1025 7.1025 7.1090 7.1090 15.1082 15.1082 15.1103 15.1103 15.9673 15.9673 15.9684 15.9684 17.1333 17.1333 17.1393 17.1393 k = 0.2589 0.2589 0.3956 ( 3048 PWs) bands (ev): -16.8904 -16.8904 -16.8903 -16.8903 -14.5859 -14.5859 -14.5857 -14.5857 -12.7140 -12.7140 -12.7138 -12.7138 -12.3775 -12.3775 -12.3773 -12.3773 -6.4269 -6.4269 -6.4268 -6.4268 -3.8279 -3.8279 -3.8271 -3.8271 -2.4760 -2.4760 -2.4724 -2.4724 -2.1172 -2.1172 -2.1135 -2.1135 2.1973 2.1973 2.2013 2.2013 2.8521 2.8521 2.8583 2.8583 3.8270 3.8270 3.8341 3.8341 4.3486 4.3486 4.3521 4.3521 5.0009 5.0009 5.0086 5.0086 5.5791 5.5791 5.5871 5.5871 6.3247 6.3247 6.3295 6.3295 7.0948 7.0948 7.1014 7.1014 15.0483 15.0483 15.0504 15.0504 15.9841 15.9841 15.9852 15.9852 17.1073 17.1073 17.1134 17.1134 k = 0.2500 0.2500 0.3956 ( 3050 PWs) bands (ev): -16.9218 -16.9218 -16.9217 -16.9217 -14.5416 -14.5416 -14.5413 -14.5413 -12.7049 -12.7049 -12.7047 -12.7047 -12.3675 -12.3675 -12.3673 -12.3673 -6.4758 -6.4758 -6.4758 -6.4758 -3.8090 -3.8090 -3.8081 -3.8081 -2.5122 -2.5122 -2.5085 -2.5085 -2.1359 -2.1359 -2.1323 -2.1323 2.2195 2.2195 2.2235 2.2235 2.8589 2.8589 2.8651 2.8651 3.8698 3.8698 3.8770 3.8770 4.3568 4.3568 4.3604 4.3604 5.0228 5.0228 5.0308 5.0308 5.5861 5.5861 5.5947 5.5947 6.2901 6.2901 6.2952 6.2952 7.0863 7.0863 7.0930 7.0930 14.9882 14.9882 14.9902 14.9902 16.0023 16.0023 16.0034 16.0034 17.0827 17.0827 17.0889 17.0889 k = 0.2411 0.2411 0.3956 ( 3046 PWs) bands (ev): -16.9523 -16.9523 -16.9522 -16.9522 -14.4975 -14.4975 -14.4973 -14.4973 -12.6956 -12.6956 -12.6953 -12.6953 -12.3584 -12.3584 -12.3582 -12.3582 -6.5236 -6.5236 -6.5236 -6.5236 -3.7919 -3.7919 -3.7910 -3.7910 -2.5474 -2.5474 -2.5438 -2.5438 -2.1544 -2.1544 -2.1507 -2.1507 2.2420 2.2420 2.2460 2.2460 2.8671 2.8671 2.8732 2.8732 3.9116 3.9116 3.9189 3.9189 4.3644 4.3644 4.3680 4.3680 5.0442 5.0442 5.0525 5.0525 5.5936 5.5936 5.6029 5.6029 6.2561 6.2561 6.2616 6.2616 7.0770 7.0770 7.0838 7.0838 14.9280 14.9280 14.9300 14.9300 16.0219 16.0219 16.0229 16.0229 17.0596 17.0596 17.0659 17.0659 k = 0.2321 0.2321 0.3956 ( 3042 PWs) bands (ev): -16.9819 -16.9819 -16.9818 -16.9818 -14.4537 -14.4537 -14.4535 -14.4535 -12.6860 -12.6860 -12.6858 -12.6858 -12.3502 -12.3502 -12.3500 -12.3500 -6.5701 -6.5701 -6.5701 -6.5701 -3.7765 -3.7765 -3.7756 -3.7756 -2.5817 -2.5817 -2.5780 -2.5780 -2.1725 -2.1725 -2.1688 -2.1688 2.2645 2.2645 2.2685 2.2685 2.8768 2.8768 2.8828 2.8828 3.9522 3.9522 3.9596 3.9596 4.3715 4.3715 4.3750 4.3750 5.0645 5.0645 5.0730 5.0730 5.6017 5.6017 5.6117 5.6117 6.2228 6.2228 6.2287 6.2287 7.0669 7.0669 7.0737 7.0737 14.8682 14.8682 14.8701 14.8701 16.0425 16.0425 16.0436 16.0436 17.0381 17.0381 17.0445 17.0445 k = 0.2232 0.2232 0.3956 ( 3038 PWs) bands (ev): -17.0106 -17.0106 -17.0105 -17.0105 -14.4103 -14.4103 -14.4100 -14.4100 -12.6763 -12.6763 -12.6760 -12.6760 -12.3431 -12.3431 -12.3429 -12.3429 -6.6154 -6.6154 -6.6154 -6.6154 -3.7629 -3.7629 -3.7620 -3.7620 -2.6147 -2.6147 -2.6110 -2.6110 -2.1902 -2.1902 -2.1865 -2.1865 2.2867 2.2867 2.2907 2.2907 2.8879 2.8879 2.8938 2.8938 3.9918 3.9918 3.9992 3.9992 4.3783 4.3783 4.3818 4.3818 5.0831 5.0831 5.0918 5.0918 5.6109 5.6109 5.6216 5.6216 6.1904 6.1904 6.1967 6.1967 7.0561 7.0561 7.0629 7.0629 14.8088 14.8088 14.8106 14.8106 16.0641 16.0641 16.0651 16.0651 17.0182 17.0182 17.0247 17.0247 k = 0.2143 0.2143 0.3956 ( 3046 PWs) bands (ev): -17.0383 -17.0383 -17.0382 -17.0382 -14.3672 -14.3672 -14.3670 -14.3670 -12.6665 -12.6665 -12.6662 -12.6662 -12.3370 -12.3370 -12.3368 -12.3368 -6.6593 -6.6593 -6.6592 -6.6592 -3.7512 -3.7512 -3.7502 -3.7502 -2.6464 -2.6464 -2.6426 -2.6426 -2.2075 -2.2075 -2.2038 -2.2038 2.3084 2.3084 2.3123 2.3123 2.9004 2.9004 2.9062 2.9062 4.0302 4.0302 4.0377 4.0377 4.3850 4.3850 4.3885 4.3885 5.0995 5.0995 5.1083 5.1083 5.6213 5.6213 5.6327 5.6327 6.1590 6.1590 6.1657 6.1657 7.0445 7.0445 7.0514 7.0514 14.7500 14.7500 14.7518 14.7518 16.0865 16.0865 16.0874 16.0874 17.0001 17.0001 17.0067 17.0067 k = 0.2054 0.2054 0.3956 ( 3038 PWs) bands (ev): -17.0651 -17.0651 -17.0650 -17.0650 -14.3246 -14.3246 -14.3243 -14.3243 -12.6565 -12.6565 -12.6562 -12.6562 -12.3320 -12.3320 -12.3318 -12.3318 -6.7018 -6.7018 -6.7017 -6.7017 -3.7413 -3.7413 -3.7403 -3.7403 -2.6765 -2.6765 -2.6727 -2.6727 -2.2243 -2.2243 -2.2206 -2.2206 2.3294 2.3294 2.3333 2.3333 2.9144 2.9144 2.9200 2.9200 4.0675 4.0675 4.0751 4.0751 4.3918 4.3918 4.3953 4.3953 5.1133 5.1133 5.1221 5.1221 5.6332 5.6332 5.6451 5.6451 6.1286 6.1286 6.1357 6.1357 7.0322 7.0322 7.0391 7.0391 14.6922 14.6922 14.6940 14.6940 16.1094 16.1094 16.1103 16.1103 16.9838 16.9838 16.9905 16.9905 k = 0.1964 0.1964 0.3956 ( 3034 PWs) bands (ev): -17.0909 -17.0909 -17.0907 -17.0907 -14.2825 -14.2825 -14.2822 -14.2822 -12.6465 -12.6465 -12.6462 -12.6462 -12.3281 -12.3281 -12.3279 -12.3279 -6.7428 -6.7428 -6.7427 -6.7427 -3.7331 -3.7331 -3.7321 -3.7321 -2.7050 -2.7050 -2.7013 -2.7013 -2.2406 -2.2406 -2.2369 -2.2369 2.3496 2.3496 2.3533 2.3533 2.9298 2.9298 2.9352 2.9352 4.1038 4.1038 4.1114 4.1114 4.3989 4.3989 4.4023 4.4023 5.1241 5.1241 5.1327 5.1327 5.6467 5.6467 5.6591 5.6591 6.0994 6.0994 6.1070 6.1070 7.0194 7.0194 7.0262 7.0262 14.6355 14.6355 14.6372 14.6372 16.1327 16.1327 16.1336 16.1336 16.9694 16.9694 16.9761 16.9761 k = 0.1875 0.1875 0.3956 ( 3046 PWs) bands (ev): -17.1156 -17.1156 -17.1155 -17.1155 -14.2409 -14.2409 -14.2407 -14.2407 -12.6365 -12.6365 -12.6362 -12.6362 -12.3253 -12.3253 -12.3251 -12.3251 -6.7823 -6.7823 -6.7823 -6.7823 -3.7268 -3.7268 -3.7257 -3.7257 -2.7318 -2.7318 -2.7280 -2.7280 -2.2564 -2.2564 -2.2527 -2.2527 2.3686 2.3686 2.3722 2.3722 2.9466 2.9466 2.9517 2.9517 4.1388 4.1388 4.1465 4.1465 4.4063 4.4063 4.4097 4.4097 5.1316 5.1316 5.1400 5.1400 5.6617 5.6617 5.6745 5.6745 6.0715 6.0715 6.0795 6.0795 7.0059 7.0059 7.0128 7.0128 14.5801 14.5801 14.5817 14.5817 16.1562 16.1562 16.1571 16.1571 16.9570 16.9570 16.9637 16.9637 k = 0.1786 0.1786 0.3956 ( 3040 PWs) bands (ev): -17.1393 -17.1393 -17.1392 -17.1392 -14.2000 -14.2000 -14.1998 -14.1998 -12.6265 -12.6265 -12.6262 -12.6262 -12.3237 -12.3237 -12.3234 -12.3234 -6.8203 -6.8203 -6.8202 -6.8202 -3.7221 -3.7221 -3.7211 -3.7211 -2.7567 -2.7567 -2.7529 -2.7529 -2.2716 -2.2716 -2.2679 -2.2679 2.3865 2.3865 2.3899 2.3899 2.9646 2.9646 2.9695 2.9695 4.1727 4.1727 4.1804 4.1804 4.4144 4.4144 4.4177 4.4177 5.1359 5.1359 5.1440 5.1440 5.6783 5.6783 5.6914 5.6914 6.0450 6.0450 6.0533 6.0533 6.9920 6.9920 6.9988 6.9988 14.5261 14.5261 14.5276 14.5276 16.1798 16.1798 16.1806 16.1806 16.9466 16.9466 16.9534 16.9534 k = 0.1696 0.1696 0.3956 ( 3040 PWs) bands (ev): -17.1620 -17.1620 -17.1619 -17.1619 -14.1599 -14.1599 -14.1596 -14.1596 -12.6165 -12.6165 -12.6162 -12.6162 -12.3231 -12.3231 -12.3229 -12.3229 -6.8566 -6.8566 -6.8566 -6.8566 -3.7192 -3.7192 -3.7181 -3.7181 -2.7797 -2.7797 -2.7759 -2.7759 -2.2862 -2.2862 -2.2826 -2.2826 2.4030 2.4030 2.4064 2.4064 2.9838 2.9838 2.9883 2.9883 4.2052 4.2052 4.2129 4.2129 4.4232 4.4232 4.4264 4.4264 5.1368 5.1368 5.1445 5.1445 5.6960 5.6960 5.7093 5.7093 6.0199 6.0199 6.0287 6.0287 6.9777 6.9777 6.9844 6.9844 14.4737 14.4737 14.4751 14.4751 16.2031 16.2031 16.2039 16.2039 16.9383 16.9383 16.9451 16.9451 k = 0.1607 0.1607 0.3956 ( 3040 PWs) bands (ev): -17.1837 -17.1837 -17.1835 -17.1835 -14.1205 -14.1205 -14.1202 -14.1202 -12.6066 -12.6066 -12.6063 -12.6063 -12.3237 -12.3237 -12.3234 -12.3234 -6.8913 -6.8913 -6.8913 -6.8913 -3.7178 -3.7178 -3.7167 -3.7167 -2.8007 -2.8007 -2.7970 -2.7970 -2.3003 -2.3003 -2.2966 -2.2966 2.4182 2.4182 2.4215 2.4215 3.0039 3.0039 3.0082 3.0082 4.2361 4.2361 4.2437 4.2437 4.4330 4.4330 4.4362 4.4362 5.1347 5.1347 5.1420 5.1420 5.7145 5.7145 5.7278 5.7278 5.9965 5.9965 6.0056 6.0056 6.9631 6.9631 6.9697 6.9697 14.4231 14.4231 14.4245 14.4245 16.2260 16.2260 16.2268 16.2268 16.9320 16.9320 16.9389 16.9389 k = 0.1518 0.1518 0.3956 ( 3032 PWs) bands (ev): -17.2042 -17.2042 -17.2041 -17.2041 -14.0821 -14.0821 -14.0818 -14.0818 -12.5969 -12.5969 -12.5965 -12.5965 -12.3253 -12.3253 -12.3250 -12.3250 -6.9244 -6.9244 -6.9243 -6.9243 -3.7179 -3.7179 -3.7168 -3.7168 -2.8198 -2.8198 -2.8161 -2.8161 -2.3137 -2.3137 -2.3100 -2.3100 2.4321 2.4321 2.4352 2.4352 3.0248 3.0248 3.0288 3.0288 4.2653 4.2653 4.2727 4.2727 4.4441 4.4441 4.4472 4.4472 5.1297 5.1297 5.1366 5.1366 5.7331 5.7331 5.7465 5.7465 5.9751 5.9751 5.9845 5.9845 6.9483 6.9483 6.9547 6.9547 14.3744 14.3744 14.3757 14.3757 16.2484 16.2484 16.2492 16.2492 16.9279 16.9279 16.9348 16.9348 k = 0.1429 0.1429 0.3956 ( 3036 PWs) bands (ev): -17.2237 -17.2237 -17.2235 -17.2235 -14.0447 -14.0447 -14.0444 -14.0444 -12.5872 -12.5872 -12.5868 -12.5868 -12.3279 -12.3279 -12.3276 -12.3276 -6.9557 -6.9557 -6.9556 -6.9556 -3.7193 -3.7193 -3.7183 -3.7183 -2.8369 -2.8369 -2.8333 -2.8333 -2.3264 -2.3264 -2.3227 -2.3227 2.4446 2.4446 2.4476 2.4476 3.0463 3.0463 3.0500 3.0500 4.2923 4.2923 4.2995 4.2995 4.4568 4.4568 4.4599 4.4599 5.1222 5.1222 5.1287 5.1287 5.7509 5.7509 5.7644 5.7644 5.9560 5.9560 5.9657 5.9657 6.9334 6.9334 6.9397 6.9397 14.3277 14.3277 14.3290 14.3290 16.2699 16.2699 16.2707 16.2707 16.9258 16.9258 16.9327 16.9327 k = 0.1339 0.1339 0.3956 ( 3032 PWs) bands (ev): -17.2420 -17.2420 -17.2419 -17.2419 -14.0084 -14.0084 -14.0081 -14.0081 -12.5777 -12.5777 -12.5773 -12.5773 -12.3315 -12.3315 -12.3312 -12.3312 -6.9852 -6.9852 -6.9851 -6.9851 -3.7219 -3.7219 -3.7209 -3.7209 -2.8522 -2.8522 -2.8485 -2.8485 -2.3385 -2.3385 -2.3349 -2.3349 2.4558 2.4558 2.4587 2.4587 3.0682 3.0682 3.0715 3.0715 4.3170 4.3170 4.3237 4.3237 4.4713 4.4713 4.4743 4.4743 5.1126 5.1126 5.1187 5.1187 5.7669 5.7669 5.7804 5.7804 5.9399 5.9399 5.9501 5.9501 6.9185 6.9185 6.9247 6.9247 14.2833 14.2833 14.2845 14.2845 16.2906 16.2906 16.2914 16.2914 16.9258 16.9258 16.9327 16.9327 k = 0.1250 0.1250 0.3956 ( 3026 PWs) bands (ev): -17.2592 -17.2592 -17.2591 -17.2591 -13.9734 -13.9734 -13.9731 -13.9731 -12.5684 -12.5684 -12.5679 -12.5679 -12.3360 -12.3360 -12.3357 -12.3357 -7.0130 -7.0130 -7.0129 -7.0129 -3.7256 -3.7256 -3.7246 -3.7246 -2.8656 -2.8656 -2.8620 -2.8620 -2.3500 -2.3500 -2.3463 -2.3463 2.4658 2.4658 2.4686 2.4686 3.0901 3.0901 3.0932 3.0932 4.3391 4.3391 4.3454 4.3454 4.4879 4.4879 4.4909 4.4909 5.1012 5.1012 5.1069 5.1069 5.7794 5.7794 5.7931 5.7931 5.9282 5.9282 5.9391 5.9391 6.9038 6.9038 6.9098 6.9098 14.2411 14.2411 14.2423 14.2423 16.3101 16.3101 16.3110 16.3110 16.9278 16.9278 16.9346 16.9346 k = 0.1161 0.1161 0.3956 ( 3032 PWs) bands (ev): -17.2753 -17.2753 -17.2752 -17.2752 -13.9398 -13.9398 -13.9395 -13.9395 -12.5592 -12.5592 -12.5588 -12.5588 -12.3414 -12.3414 -12.3410 -12.3410 -7.0389 -7.0389 -7.0388 -7.0388 -3.7300 -3.7300 -3.7291 -3.7291 -2.8774 -2.8774 -2.8738 -2.8738 -2.3607 -2.3607 -2.3570 -2.3570 2.4745 2.4745 2.4773 2.4773 3.1118 3.1118 3.1147 3.1147 4.3585 4.3585 4.3642 4.3642 4.5062 4.5062 4.5093 4.5093 5.0885 5.0885 5.0938 5.0938 5.7864 5.7864 5.8006 5.8006 5.9219 5.9219 5.9339 5.9339 6.8894 6.8894 6.8951 6.8951 14.2014 14.2014 14.2025 14.2025 16.3284 16.3284 16.3293 16.3293 16.9316 16.9316 16.9383 16.9383 k = 0.1071 0.1071 0.3956 ( 3028 PWs) bands (ev): -17.2903 -17.2903 -17.2901 -17.2901 -13.9077 -13.9077 -13.9074 -13.9074 -12.5502 -12.5502 -12.5498 -12.5498 -12.3475 -12.3475 -12.3471 -12.3471 -7.0630 -7.0630 -7.0629 -7.0629 -3.7352 -3.7352 -3.7343 -3.7343 -2.8875 -2.8875 -2.8840 -2.8840 -2.3708 -2.3708 -2.3671 -2.3671 2.4822 2.4822 2.4850 2.4850 3.1332 3.1332 3.1358 3.1358 4.3755 4.3755 4.3807 4.3807 4.5262 4.5262 4.5292 4.5292 5.0747 5.0747 5.0797 5.0797 5.7870 5.7870 5.8018 5.8018 5.9223 5.9223 5.9355 5.9355 6.8755 6.8755 6.8809 6.8809 14.1642 14.1642 14.1652 14.1652 16.3455 16.3455 16.3464 16.3464 16.9371 16.9371 16.9437 16.9437 k = 0.0982 0.0982 0.3956 ( 3028 PWs) bands (ev): -17.3041 -17.3041 -17.3039 -17.3039 -13.8774 -13.8774 -13.8770 -13.8770 -12.5414 -12.5414 -12.5410 -12.5410 -12.3543 -12.3543 -12.3539 -12.3539 -7.0853 -7.0853 -7.0851 -7.0851 -3.7407 -3.7407 -3.7399 -3.7399 -2.8961 -2.8961 -2.8927 -2.8927 -2.3801 -2.3801 -2.3764 -2.3764 2.4889 2.4889 2.4916 2.4916 3.1538 3.1538 3.1564 3.1564 4.3902 4.3902 4.3950 4.3950 4.5472 4.5472 4.5503 4.5503 5.0603 5.0603 5.0650 5.0650 5.7819 5.7819 5.7971 5.7971 5.9286 5.9286 5.9428 5.9428 6.8621 6.8621 6.8673 6.8673 14.1296 14.1296 14.1306 14.1306 16.3612 16.3612 16.3621 16.3621 16.9441 16.9441 16.9506 16.9506 k = 0.0893 0.0893 0.3956 ( 3028 PWs) bands (ev): -17.3167 -17.3167 -17.3166 -17.3166 -13.8488 -13.8488 -13.8485 -13.8485 -12.5329 -12.5329 -12.5324 -12.5324 -12.3617 -12.3617 -12.3613 -12.3613 -7.1057 -7.1057 -7.1055 -7.1055 -3.7466 -3.7466 -3.7458 -3.7458 -2.9034 -2.9034 -2.9001 -2.9001 -2.3887 -2.3887 -2.3851 -2.3851 2.4946 2.4946 2.4974 2.4974 3.1736 3.1736 3.1760 3.1760 4.4032 4.4032 4.4076 4.4076 4.5687 4.5687 4.5717 4.5717 5.0457 5.0457 5.0501 5.0501 5.7729 5.7729 5.7884 5.7884 5.9388 5.9388 5.9536 5.9536 6.8494 6.8494 6.8543 6.8543 14.0977 14.0977 14.0987 14.0987 16.3754 16.3754 16.3764 16.3764 16.9524 16.9524 16.9587 16.9587 k = 0.0804 0.0804 0.3956 ( 3036 PWs) bands (ev): -17.3281 -17.3281 -17.3280 -17.3280 -13.8223 -13.8223 -13.8220 -13.8220 -12.5245 -12.5245 -12.5239 -12.5239 -12.3695 -12.3695 -12.3691 -12.3691 -7.1241 -7.1241 -7.1240 -7.1240 -3.7525 -3.7525 -3.7517 -3.7517 -2.9096 -2.9096 -2.9063 -2.9063 -2.3966 -2.3966 -2.3929 -2.3929 2.4996 2.4996 2.5023 2.5023 3.1921 3.1921 3.1945 3.1945 4.4147 4.4147 4.4187 4.4187 4.5901 4.5901 4.5929 4.5929 5.0311 5.0311 5.0352 5.0352 5.7620 5.7620 5.7776 5.7776 5.9508 5.9508 5.9660 5.9660 6.8375 6.8375 6.8421 6.8421 14.0686 14.0686 14.0695 14.0695 16.3883 16.3883 16.3892 16.3892 16.9616 16.9616 16.9677 16.9677 k = 0.0714 0.0714 0.3956 ( 3032 PWs) bands (ev): -17.3384 -17.3384 -17.3383 -17.3383 -13.7980 -13.7980 -13.7977 -13.7977 -12.5162 -12.5162 -12.5157 -12.5157 -12.3777 -12.3777 -12.3773 -12.3773 -7.1407 -7.1407 -7.1405 -7.1405 -3.7583 -3.7583 -3.7576 -3.7576 -2.9146 -2.9146 -2.9114 -2.9114 -2.4036 -2.4036 -2.4000 -2.4000 2.5038 2.5038 2.5065 2.5065 3.2094 3.2094 3.2117 3.2117 4.4251 4.4251 4.4287 4.4287 4.6108 4.6108 4.6134 4.6134 5.0169 5.0169 5.0207 5.0207 5.7502 5.7502 5.7659 5.7659 5.9634 5.9634 5.9789 5.9789 6.8266 6.8266 6.8308 6.8308 14.0424 14.0424 14.0433 14.0433 16.3997 16.3997 16.4006 16.4006 16.9714 16.9714 16.9774 16.9774 k = 0.0625 0.0625 0.3956 ( 3032 PWs) bands (ev): -17.3475 -17.3475 -17.3474 -17.3474 -13.7761 -13.7761 -13.7757 -13.7757 -12.5081 -12.5081 -12.5076 -12.5076 -12.3862 -12.3862 -12.3858 -12.3858 -7.1553 -7.1553 -7.1552 -7.1552 -3.7638 -3.7638 -3.7632 -3.7632 -2.9187 -2.9187 -2.9156 -2.9156 -2.4100 -2.4100 -2.4063 -2.4063 2.5073 2.5073 2.5101 2.5101 3.2250 3.2250 3.2274 3.2274 4.4343 4.4343 4.4376 4.4376 4.6304 4.6304 4.6327 4.6327 5.0033 5.0033 5.0069 5.0069 5.7385 5.7385 5.7543 5.7543 5.9756 5.9756 5.9912 5.9912 6.8167 6.8167 6.8206 6.8206 14.0191 14.0191 14.0200 14.0200 16.4097 16.4097 16.4105 16.4105 16.9815 16.9815 16.9872 16.9872 k = 0.0536 0.0536 0.3956 ( 3032 PWs) bands (ev): -17.3554 -17.3554 -17.3552 -17.3552 -13.7566 -13.7566 -13.7563 -13.7563 -12.5002 -12.5002 -12.4996 -12.4996 -12.3948 -12.3948 -12.3944 -12.3944 -7.1680 -7.1680 -7.1679 -7.1679 -3.7689 -3.7689 -3.7683 -3.7683 -2.9220 -2.9220 -2.9189 -2.9189 -2.4155 -2.4155 -2.4119 -2.4119 2.5102 2.5102 2.5130 2.5130 3.2389 3.2389 3.2414 3.2414 4.4425 4.4425 4.4454 4.4454 4.6484 4.6484 4.6504 4.6504 4.9908 4.9908 4.9941 4.9941 5.7274 5.7274 5.7433 5.7433 5.9867 5.9867 6.0025 6.0025 6.8080 6.8080 6.8115 6.8115 13.9988 13.9988 13.9997 13.9997 16.4183 16.4183 16.4191 16.4191 16.9915 16.9915 16.9969 16.9969 k = 0.0446 0.0446 0.3956 ( 3036 PWs) bands (ev): -17.3620 -17.3620 -17.3619 -17.3619 -13.7399 -13.7399 -13.7395 -13.7395 -12.4924 -12.4924 -12.4918 -12.4918 -12.4035 -12.4035 -12.4030 -12.4030 -7.1788 -7.1788 -7.1786 -7.1786 -3.7735 -3.7735 -3.7729 -3.7729 -2.9246 -2.9246 -2.9216 -2.9216 -2.4202 -2.4202 -2.4166 -2.4166 2.5126 2.5126 2.5154 2.5154 3.2510 3.2510 3.2535 3.2535 4.4497 4.4497 4.4523 4.4523 4.6644 4.6644 4.6660 4.6660 4.9796 4.9796 4.9828 4.9828 5.7174 5.7174 5.7333 5.7333 5.9966 5.9966 6.0125 6.0125 6.8005 6.8005 6.8037 6.8037 13.9815 13.9815 13.9824 13.9824 16.4255 16.4255 16.4262 16.4262 17.0009 17.0009 17.0061 17.0061 k = 0.0357 0.0357 0.3956 ( 3040 PWs) bands (ev): -17.3675 -17.3675 -17.3674 -17.3674 -13.7259 -13.7259 -13.7256 -13.7256 -12.4847 -12.4847 -12.4842 -12.4842 -12.4120 -12.4120 -12.4115 -12.4115 -7.1876 -7.1876 -7.1874 -7.1874 -3.7773 -3.7773 -3.7768 -3.7768 -2.9266 -2.9266 -2.9236 -2.9236 -2.4240 -2.4240 -2.4204 -2.4204 2.5144 2.5144 2.5173 2.5173 3.2610 3.2610 3.2636 3.2636 4.4559 4.4559 4.4580 4.4580 4.6780 4.6780 4.6794 4.6794 4.9699 4.9699 4.9730 4.9730 5.7087 5.7087 5.7246 5.7246 6.0048 6.0048 6.0209 6.0209 6.7943 6.7943 6.7971 6.7971 13.9673 13.9673 13.9682 13.9682 16.4314 16.4314 16.4320 16.4320 17.0093 17.0093 17.0143 17.0143 k = 0.0268 0.0268 0.3956 ( 3036 PWs) bands (ev): -17.3718 -17.3718 -17.3716 -17.3716 -13.7149 -13.7149 -13.7146 -13.7146 -12.4773 -12.4773 -12.4767 -12.4767 -12.4202 -12.4202 -12.4197 -12.4197 -7.1945 -7.1945 -7.1943 -7.1943 -3.7804 -3.7804 -3.7799 -3.7799 -2.9281 -2.9281 -2.9251 -2.9251 -2.4270 -2.4270 -2.4235 -2.4235 2.5158 2.5158 2.5187 2.5187 3.2690 3.2690 3.2716 3.2716 4.4609 4.4609 4.4625 4.4625 4.6890 4.6890 4.6901 4.6901 4.9621 4.9621 4.9651 4.9651 5.7017 5.7017 5.7176 5.7176 6.0114 6.0114 6.0276 6.0276 6.7894 6.7894 6.7919 6.7919 13.9562 13.9562 13.9571 13.9571 16.4360 16.4360 16.4365 16.4365 17.0164 17.0164 17.0211 17.0211 k = 0.0179 0.0179 0.3956 ( 3036 PWs) bands (ev): -17.3748 -17.3748 -17.3747 -17.3747 -13.7070 -13.7070 -13.7066 -13.7066 -12.4703 -12.4703 -12.4698 -12.4698 -12.4278 -12.4278 -12.4273 -12.4273 -7.1994 -7.1994 -7.1992 -7.1992 -3.7827 -3.7827 -3.7822 -3.7822 -2.9291 -2.9291 -2.9262 -2.9262 -2.4292 -2.4292 -2.4256 -2.4256 2.5168 2.5168 2.5197 2.5197 3.2747 3.2747 3.2774 3.2774 4.4646 4.4646 4.4658 4.4658 4.6970 4.6970 4.6979 4.6979 4.9563 4.9563 4.9594 4.9594 5.6965 5.6965 5.7124 5.7124 6.0162 6.0162 6.0324 6.0324 6.7859 6.7859 6.7882 6.7882 13.9483 13.9483 13.9492 13.9492 16.4393 16.4393 16.4397 16.4397 17.0217 17.0217 17.0263 17.0263 k = 0.0089 0.0089 0.3956 ( 3050 PWs) bands (ev): -17.3766 -17.3766 -17.3765 -17.3765 -13.7022 -13.7022 -13.7019 -13.7019 -12.4646 -12.4646 -12.4640 -12.4640 -12.4340 -12.4340 -12.4335 -12.4335 -7.2024 -7.2024 -7.2022 -7.2022 -3.7841 -3.7841 -3.7836 -3.7836 -2.9297 -2.9297 -2.9268 -2.9268 -2.4305 -2.4305 -2.4269 -2.4269 2.5174 2.5174 2.5203 2.5203 3.2781 3.2781 3.2808 3.2808 4.4671 4.4671 4.4676 4.4676 4.7019 4.7019 4.7026 4.7026 4.9527 4.9527 4.9558 4.9558 5.6933 5.6933 5.7093 5.7093 6.0190 6.0190 6.0353 6.0353 6.7838 6.7838 6.7859 6.7859 13.9436 13.9436 13.9444 13.9444 16.4412 16.4412 16.4416 16.4416 17.0251 17.0251 17.0295 17.0295 k = 0.0000 0.0000 0.3956 ( 3046 PWs) bands (ev): -17.3772 -17.3772 -17.3771 -17.3771 -13.7006 -13.7006 -13.7003 -13.7003 -12.4621 -12.4621 -12.4615 -12.4615 -12.4366 -12.4366 -12.4361 -12.4361 -7.2033 -7.2033 -7.2031 -7.2031 -3.7845 -3.7845 -3.7841 -3.7841 -2.9299 -2.9299 -2.9270 -2.9270 -2.4309 -2.4309 -2.4274 -2.4274 2.5176 2.5176 2.5205 2.5205 3.2793 3.2793 3.2820 3.2820 4.4681 4.4681 4.4681 4.4681 4.7036 4.7036 4.7042 4.7042 4.9515 4.9515 4.9547 4.9547 5.6922 5.6922 5.7082 5.7082 6.0200 6.0200 6.0363 6.0363 6.7831 6.7831 6.7852 6.7852 13.9420 13.9420 13.9428 13.9428 16.4419 16.4419 16.4422 16.4422 17.0262 17.0262 17.0306 17.0306 k = 0.0000 0.5000-0.0000 ( 3064 PWs) bands (ev): -16.9521 -16.9521 -16.9521 -16.9521 -14.5165 -14.5165 -14.5164 -14.5164 -12.6118 -12.6118 -12.6114 -12.6114 -12.3935 -12.3935 -12.3931 -12.3931 -6.6222 -6.6222 -6.6222 -6.6222 -3.5218 -3.5218 -3.5217 -3.5217 -2.8574 -2.8574 -2.8540 -2.8540 -2.0987 -2.0987 -2.0947 -2.0947 2.1694 2.1694 2.1765 2.1765 2.5749 2.5749 2.5800 2.5800 3.5355 3.5355 3.5398 3.5398 4.9448 4.9448 4.9510 4.9510 5.3545 5.3545 5.3559 5.3559 5.8982 5.8982 5.8983 5.8983 6.3728 6.3728 6.3843 6.3843 6.8128 6.8128 6.8219 6.8219 15.4903 15.4903 15.4927 15.4927 15.6524 15.6524 15.6580 15.6580 17.2458 17.2458 17.2495 17.2495 k = 0.0000 0.5000 0.0128 ( 3064 PWs) bands (ev): -16.9519 -16.9519 -16.9518 -16.9518 -14.5172 -14.5172 -14.5171 -14.5171 -12.6112 -12.6112 -12.6109 -12.6109 -12.3935 -12.3935 -12.3931 -12.3931 -6.6227 -6.6227 -6.6227 -6.6227 -3.5211 -3.5210 -3.5209 -3.5209 -2.8571 -2.8571 -2.8538 -2.8538 -2.0989 -2.0989 -2.0950 -2.0950 2.1696 2.1696 2.1767 2.1767 2.5752 2.5752 2.5803 2.5803 3.5362 3.5362 3.5404 3.5404 4.9441 4.9441 4.9503 4.9503 5.3518 5.3518 5.3535 5.3535 5.8978 5.8979 5.8986 5.8987 6.3733 6.3733 6.3848 6.3848 6.8132 6.8132 6.8223 6.8223 15.4905 15.4906 15.4930 15.4930 15.6525 15.6525 15.6581 15.6581 17.2454 17.2454 17.2491 17.2491 k = 0.0000 0.5000 0.0255 ( 3054 PWs) bands (ev): -16.9512 -16.9512 -16.9512 -16.9512 -14.5194 -14.5194 -14.5192 -14.5192 -12.6096 -12.6096 -12.6093 -12.6093 -12.3933 -12.3933 -12.3929 -12.3929 -6.6242 -6.6242 -6.6242 -6.6242 -3.5187 -3.5186 -3.5185 -3.5184 -2.8564 -2.8564 -2.8530 -2.8530 -2.0996 -2.0996 -2.0957 -2.0957 2.1701 2.1701 2.1772 2.1772 2.5762 2.5762 2.5813 2.5813 3.5380 3.5380 3.5423 3.5423 4.9419 4.9419 4.9480 4.9480 5.3441 5.3442 5.3464 5.3464 5.8974 5.8974 5.8989 5.8989 6.3746 6.3746 6.3862 6.3862 6.8147 6.8147 6.8238 6.8238 15.4914 15.4914 15.4939 15.4940 15.6528 15.6528 15.6584 15.6584 17.2441 17.2441 17.2479 17.2479 k = 0.0000 0.5000 0.0383 ( 3046 PWs) bands (ev): -16.9502 -16.9502 -16.9502 -16.9502 -14.5229 -14.5229 -14.5227 -14.5227 -12.6070 -12.6070 -12.6067 -12.6067 -12.3929 -12.3929 -12.3925 -12.3925 -6.6267 -6.6267 -6.6266 -6.6266 -3.5148 -3.5147 -3.5145 -3.5144 -2.8552 -2.8552 -2.8518 -2.8518 -2.1008 -2.1008 -2.0969 -2.0969 2.1709 2.1709 2.1780 2.1780 2.5778 2.5778 2.5830 2.5830 3.5411 3.5411 3.5453 3.5453 4.9381 4.9381 4.9440 4.9440 5.3320 5.3320 5.3350 5.3350 5.8966 5.8967 5.8988 5.8988 6.3767 6.3767 6.3884 6.3884 6.8172 6.8172 6.8263 6.8263 15.4928 15.4929 15.4955 15.4955 15.6532 15.6532 15.6589 15.6589 17.2419 17.2419 17.2458 17.2458 k = 0.0000 0.5000 0.0510 ( 3050 PWs) bands (ev): -16.9488 -16.9488 -16.9488 -16.9488 -14.5277 -14.5277 -14.5276 -14.5276 -12.6034 -12.6034 -12.6031 -12.6031 -12.3925 -12.3925 -12.3921 -12.3921 -6.6301 -6.6301 -6.6300 -6.6300 -3.5094 -3.5093 -3.5091 -3.5090 -2.8535 -2.8535 -2.8500 -2.8500 -2.1025 -2.1025 -2.0986 -2.0986 2.1718 2.1718 2.1790 2.1790 2.5802 2.5802 2.5856 2.5856 3.5453 3.5453 3.5495 3.5495 4.9324 4.9324 4.9381 4.9381 5.3162 5.3162 5.3199 5.3199 5.8955 5.8955 5.8982 5.8983 6.3793 6.3793 6.3909 6.3909 6.8207 6.8207 6.8299 6.8299 15.4948 15.4948 15.4976 15.4977 15.6538 15.6538 15.6597 15.6597 17.2388 17.2388 17.2428 17.2428 k = 0.0000 0.5000 0.0638 ( 3050 PWs) bands (ev): -16.9471 -16.9471 -16.9471 -16.9471 -14.5338 -14.5338 -14.5337 -14.5337 -12.5989 -12.5989 -12.5985 -12.5985 -12.3919 -12.3919 -12.3915 -12.3915 -6.6344 -6.6344 -6.6344 -6.6344 -3.5026 -3.5025 -3.5022 -3.5022 -2.8511 -2.8511 -2.8475 -2.8475 -2.1047 -2.1047 -2.1008 -2.1007 2.1728 2.1728 2.1800 2.1800 2.5836 2.5836 2.5891 2.5891 3.5506 3.5506 3.5548 3.5548 4.9243 4.9243 4.9297 4.9297 5.2977 5.2977 5.3022 5.3022 5.8936 5.8937 5.8969 5.8970 6.3820 6.3820 6.3936 6.3936 6.8255 6.8255 6.8346 6.8346 15.4972 15.4973 15.5003 15.5004 15.6546 15.6546 15.6607 15.6607 17.2347 17.2348 17.2389 17.2390 k = 0.0000 0.5000 0.0766 ( 3050 PWs) bands (ev): -16.9449 -16.9449 -16.9449 -16.9449 -14.5411 -14.5411 -14.5410 -14.5410 -12.5935 -12.5935 -12.5931 -12.5931 -12.3912 -12.3912 -12.3908 -12.3907 -6.6396 -6.6396 -6.6395 -6.6395 -3.4947 -3.4946 -3.4942 -3.4941 -2.8480 -2.8480 -2.8444 -2.8444 -2.1074 -2.1074 -2.1035 -2.1035 2.1737 2.1737 2.1808 2.1808 2.5882 2.5882 2.5938 2.5938 3.5569 3.5569 3.5611 3.5611 4.9135 4.9135 4.9185 4.9185 5.2777 5.2777 5.2829 5.2829 5.8909 5.8909 5.8947 5.8947 6.3846 6.3846 6.3961 6.3961 6.8316 6.8316 6.8407 6.8407 15.5001 15.5001 15.5035 15.5035 15.6558 15.6558 15.6620 15.6620 17.2299 17.2299 17.2342 17.2342 k = 0.0000 0.5000 0.0893 ( 3050 PWs) bands (ev): -16.9425 -16.9425 -16.9424 -16.9424 -14.5496 -14.5496 -14.5494 -14.5494 -12.5872 -12.5872 -12.5868 -12.5868 -12.3904 -12.3904 -12.3899 -12.3899 -6.6455 -6.6455 -6.6455 -6.6455 -3.4856 -3.4856 -3.4851 -3.4850 -2.8442 -2.8442 -2.8405 -2.8405 -2.1107 -2.1107 -2.1067 -2.1067 2.1743 2.1743 2.1814 2.1814 2.5941 2.5941 2.5998 2.5998 3.5642 3.5642 3.5683 3.5684 4.8993 4.8993 4.9039 4.9039 5.2574 5.2574 5.2633 5.2633 5.8870 5.8871 5.8912 5.8912 6.3867 6.3867 6.3980 6.3980 6.8392 6.8392 6.8481 6.8481 15.5034 15.5035 15.5071 15.5071 15.6572 15.6572 15.6636 15.6636 17.2241 17.2241 17.2286 17.2286 k = 0.0000 0.5000 0.1021 ( 3052 PWs) bands (ev): -16.9397 -16.9397 -16.9397 -16.9397 -14.5590 -14.5590 -14.5589 -14.5589 -12.5803 -12.5803 -12.5799 -12.5799 -12.3895 -12.3895 -12.3890 -12.3890 -6.6521 -6.6521 -6.6521 -6.6521 -3.4757 -3.4757 -3.4751 -3.4751 -2.8395 -2.8395 -2.8357 -2.8357 -2.1145 -2.1145 -2.1105 -2.1105 2.1745 2.1745 2.1816 2.1816 2.6016 2.6016 2.6074 2.6074 3.5724 3.5724 3.5764 3.5764 4.8812 4.8812 4.8852 4.8852 5.2380 5.2380 5.2445 5.2445 5.8819 5.8819 5.8864 5.8865 6.3880 6.3880 6.3990 6.3990 6.8481 6.8481 6.8568 6.8568 15.5071 15.5071 15.5110 15.5111 15.6591 15.6591 15.6657 15.6657 17.2174 17.2174 17.2221 17.2221 k = 0.0000 0.5000 0.1149 ( 3048 PWs) bands (ev): -16.9366 -16.9366 -16.9365 -16.9365 -14.5694 -14.5693 -14.5692 -14.5692 -12.5727 -12.5727 -12.5722 -12.5722 -12.3885 -12.3885 -12.3880 -12.3880 -6.6594 -6.6594 -6.6593 -6.6593 -3.4652 -3.4651 -3.4645 -3.4644 -2.8338 -2.8338 -2.8299 -2.8299 -2.1189 -2.1189 -2.1149 -2.1149 2.1741 2.1741 2.1811 2.1811 2.6110 2.6110 2.6168 2.6168 3.5813 3.5813 3.5852 3.5852 4.8586 4.8586 4.8622 4.8622 5.2206 5.2206 5.2276 5.2276 5.8754 5.8754 5.8802 5.8803 6.3883 6.3883 6.3990 6.3990 6.8585 6.8585 6.8669 6.8669 15.5111 15.5111 15.5153 15.5153 15.6613 15.6613 15.6682 15.6682 17.2099 17.2100 17.2147 17.2148 k = 0.0000 0.5000 0.1276 ( 3040 PWs) bands (ev): -16.9332 -16.9332 -16.9332 -16.9332 -14.5805 -14.5805 -14.5804 -14.5804 -12.5645 -12.5645 -12.5640 -12.5640 -12.3874 -12.3874 -12.3870 -12.3869 -6.6672 -6.6672 -6.6671 -6.6671 -3.4541 -3.4541 -3.4534 -3.4533 -2.8269 -2.8269 -2.8230 -2.8230 -2.1239 -2.1239 -2.1198 -2.1198 2.1729 2.1729 2.1797 2.1797 2.6224 2.6224 2.6281 2.6281 3.5907 3.5907 3.5946 3.5946 4.8314 4.8314 4.8344 4.8344 5.2058 5.2058 5.2133 5.2133 5.8674 5.8674 5.8725 5.8726 6.3876 6.3876 6.3978 6.3978 6.8701 6.8701 6.8782 6.8782 15.5153 15.5154 15.5198 15.5198 15.6641 15.6641 15.6711 15.6711 17.2017 17.2017 17.2066 17.2066 k = 0.0000 0.5000 0.1404 ( 3038 PWs) bands (ev): -16.9296 -16.9296 -16.9296 -16.9296 -14.5923 -14.5923 -14.5922 -14.5922 -12.5559 -12.5559 -12.5554 -12.5554 -12.3863 -12.3863 -12.3858 -12.3858 -6.6754 -6.6754 -6.6753 -6.6753 -3.4429 -3.4428 -3.4421 -3.4420 -2.8189 -2.8189 -2.8148 -2.8148 -2.1295 -2.1295 -2.1254 -2.1254 2.1709 2.1709 2.1775 2.1775 2.6359 2.6359 2.6415 2.6415 3.6006 3.6006 3.6044 3.6044 4.7996 4.7996 4.8022 4.8022 5.1942 5.1942 5.2021 5.2021 5.8578 5.8578 5.8633 5.8633 6.3858 6.3858 6.3955 6.3955 6.8829 6.8829 6.8906 6.8906 15.5197 15.5198 15.5244 15.5245 15.6673 15.6673 15.6745 15.6745 17.1927 17.1927 17.1977 17.1977 k = 0.0000 0.5000 0.1531 ( 3018 PWs) bands (ev): -16.9257 -16.9257 -16.9257 -16.9257 -14.6046 -14.6046 -14.6045 -14.6045 -12.5469 -12.5469 -12.5464 -12.5464 -12.3852 -12.3852 -12.3847 -12.3847 -6.6839 -6.6839 -6.6838 -6.6838 -3.4316 -3.4315 -3.4308 -3.4307 -2.8095 -2.8095 -2.8053 -2.8053 -2.1358 -2.1358 -2.1317 -2.1317 2.1679 2.1679 2.1743 2.1743 2.6517 2.6517 2.6571 2.6572 3.6108 3.6108 3.6144 3.6144 4.7636 4.7636 4.7660 4.7660 5.1859 5.1859 5.1940 5.1940 5.8467 5.8467 5.8525 5.8525 6.3830 6.3830 6.3921 6.3921 6.8967 6.8967 6.9039 6.9039 15.5243 15.5243 15.5292 15.5292 15.6711 15.6711 15.6785 15.6785 17.1831 17.1832 17.1882 17.1882 k = 0.0000 0.5000 0.1659 ( 3022 PWs) bands (ev): -16.9217 -16.9217 -16.9217 -16.9217 -14.6173 -14.6173 -14.6172 -14.6172 -12.5377 -12.5377 -12.5371 -12.5371 -12.3840 -12.3840 -12.3835 -12.3835 -6.6927 -6.6927 -6.6926 -6.6926 -3.4205 -3.4205 -3.4197 -3.4196 -2.7987 -2.7987 -2.7945 -2.7945 -2.1428 -2.1428 -2.1387 -2.1387 2.1640 2.1640 2.1702 2.1702 2.6698 2.6698 2.6751 2.6751 3.6210 3.6210 3.6245 3.6245 4.7241 4.7241 4.7262 4.7262 5.1806 5.1806 5.1888 5.1888 5.8340 5.8340 5.8400 5.8400 6.3792 6.3792 6.3877 6.3878 6.9111 6.9111 6.9178 6.9178 15.5288 15.5288 15.5339 15.5340 15.6754 15.6754 15.6828 15.6829 17.1730 17.1730 17.1781 17.1781 k = 0.0000 0.5000 0.1787 ( 3038 PWs) bands (ev): -16.9176 -16.9176 -16.9176 -16.9176 -14.6303 -14.6303 -14.6302 -14.6302 -12.5282 -12.5282 -12.5277 -12.5277 -12.3828 -12.3828 -12.3823 -12.3823 -6.7016 -6.7016 -6.7016 -6.7016 -3.4099 -3.4098 -3.4090 -3.4089 -2.7864 -2.7864 -2.7821 -2.7821 -2.1505 -2.1505 -2.1464 -2.1464 2.1592 2.1592 2.1651 2.1651 2.6903 2.6903 2.6953 2.6953 3.6311 3.6311 3.6344 3.6344 4.6817 4.6817 4.6837 4.6837 5.1782 5.1782 5.1864 5.1864 5.8197 5.8197 5.8260 5.8260 6.3747 6.3747 6.3826 6.3826 6.9260 6.9260 6.9322 6.9322 15.5333 15.5334 15.5386 15.5386 15.6802 15.6802 15.6877 15.6877 17.1624 17.1624 17.1674 17.1675 k = 0.0000 0.5000 0.1914 ( 3042 PWs) bands (ev): -16.9134 -16.9134 -16.9134 -16.9134 -14.6435 -14.6435 -14.6434 -14.6434 -12.5187 -12.5187 -12.5182 -12.5182 -12.3817 -12.3817 -12.3811 -12.3811 -6.7106 -6.7106 -6.7105 -6.7105 -3.3997 -3.3997 -3.3988 -3.3987 -2.7725 -2.7725 -2.7682 -2.7682 -2.1590 -2.1590 -2.1549 -2.1549 2.1535 2.1535 2.1591 2.1591 2.7130 2.7130 2.7177 2.7177 3.6408 3.6408 3.6439 3.6439 4.6372 4.6372 4.6392 4.6392 5.1783 5.1783 5.1865 5.1865 5.8039 5.8039 5.8105 5.8105 6.3696 6.3696 6.3769 6.3769 6.9411 6.9411 6.9468 6.9468 15.5378 15.5379 15.5431 15.5432 15.6854 15.6855 15.6929 15.6929 17.1514 17.1515 17.1565 17.1565 k = 0.0000 0.5000 0.2042 ( 3046 PWs) bands (ev): -16.9092 -16.9092 -16.9091 -16.9091 -14.6566 -14.6566 -14.6565 -14.6565 -12.5093 -12.5093 -12.5087 -12.5087 -12.3805 -12.3805 -12.3800 -12.3800 -6.7195 -6.7195 -6.7195 -6.7195 -3.3903 -3.3902 -3.3893 -3.3893 -2.7571 -2.7571 -2.7527 -2.7527 -2.1683 -2.1683 -2.1641 -2.1641 2.1471 2.1471 2.1523 2.1523 2.7379 2.7379 2.7423 2.7423 3.6499 3.6499 3.6528 3.6528 4.5913 4.5913 4.5935 4.5935 5.1806 5.1806 5.1887 5.1887 5.7867 5.7867 5.7935 5.7935 6.3641 6.3641 6.3708 6.3708 6.9563 6.9563 6.9615 6.9615 15.5423 15.5423 15.5475 15.5476 15.6911 15.6911 15.6985 15.6985 17.1403 17.1404 17.1453 17.1453 k = 0.0000 0.5000 0.2170 ( 3042 PWs) bands (ev): -16.9049 -16.9049 -16.9048 -16.9048 -14.6696 -14.6696 -14.6695 -14.6695 -12.4999 -12.4999 -12.4993 -12.4993 -12.3795 -12.3795 -12.3789 -12.3789 -6.7283 -6.7283 -6.7283 -6.7283 -3.3816 -3.3815 -3.3807 -3.3806 -2.7402 -2.7402 -2.7358 -2.7358 -2.1784 -2.1784 -2.1742 -2.1742 2.1401 2.1401 2.1449 2.1449 2.7650 2.7650 2.7690 2.7690 3.6580 3.6580 3.6608 3.6608 4.5448 4.5448 4.5472 4.5472 5.1849 5.1850 5.1929 5.1929 5.7681 5.7681 5.7750 5.7751 6.3583 6.3583 6.3646 6.3646 6.9712 6.9712 6.9759 6.9759 15.5466 15.5466 15.5518 15.5518 15.6972 15.6972 15.7044 15.7044 17.1292 17.1292 17.1340 17.1340 k = 0.0000 0.5000 0.2297 ( 3046 PWs) bands (ev): -16.9006 -16.9006 -16.9006 -16.9006 -14.6823 -14.6823 -14.6822 -14.6822 -12.4907 -12.4907 -12.4901 -12.4901 -12.3785 -12.3785 -12.3778 -12.3778 -6.7369 -6.7369 -6.7369 -6.7369 -3.3737 -3.3737 -3.3728 -3.3728 -2.7218 -2.7218 -2.7174 -2.7173 -2.1894 -2.1894 -2.1852 -2.1852 2.1326 2.1326 2.1371 2.1371 2.7939 2.7939 2.7976 2.7976 3.6649 3.6649 3.6676 3.6676 4.4983 4.4983 4.5009 4.5009 5.1911 5.1911 5.1990 5.1990 5.7482 5.7482 5.7553 5.7553 6.3526 6.3526 6.3583 6.3583 6.9857 6.9857 6.9900 6.9900 15.5508 15.5508 15.5559 15.5559 15.7034 15.7034 15.7104 15.7105 17.1180 17.1180 17.1227 17.1227 k = 0.0000 0.5000 0.2425 ( 3050 PWs) bands (ev): -16.8965 -16.8965 -16.8964 -16.8964 -14.6947 -14.6947 -14.6946 -14.6946 -12.4818 -12.4818 -12.4811 -12.4811 -12.3775 -12.3775 -12.3769 -12.3769 -6.7452 -6.7452 -6.7452 -6.7452 -3.3668 -3.3667 -3.3659 -3.3659 -2.7021 -2.7021 -2.6976 -2.6976 -2.2013 -2.2012 -2.1970 -2.1970 2.1249 2.1249 2.1290 2.1290 2.8245 2.8245 2.8279 2.8279 3.6702 3.6702 3.6728 3.6728 4.4525 4.4525 4.4554 4.4554 5.1990 5.1990 5.2067 5.2067 5.7271 5.7271 5.7344 5.7344 6.3468 6.3468 6.3521 6.3521 6.9996 6.9996 7.0035 7.0035 15.5548 15.5548 15.5597 15.5597 15.7099 15.7099 15.7166 15.7166 17.1071 17.1071 17.1116 17.1116 k = 0.0000 0.5000 0.2552 ( 3050 PWs) bands (ev): -16.8924 -16.8924 -16.8924 -16.8924 -14.7065 -14.7065 -14.7064 -14.7064 -12.4732 -12.4732 -12.4725 -12.4725 -12.3767 -12.3767 -12.3761 -12.3761 -6.7531 -6.7531 -6.7531 -6.7531 -3.3606 -3.3606 -3.3598 -3.3598 -2.6811 -2.6811 -2.6766 -2.6766 -2.2140 -2.2140 -2.2098 -2.2098 2.1170 2.1170 2.1207 2.1207 2.8565 2.8565 2.8596 2.8596 3.6735 3.6735 3.6761 3.6761 4.4080 4.4080 4.4112 4.4112 5.2085 5.2085 5.2159 5.2159 5.7051 5.7051 5.7124 5.7124 6.3413 6.3414 6.3462 6.3462 7.0128 7.0128 7.0163 7.0163 15.5586 15.5586 15.5633 15.5633 15.7163 15.7163 15.7227 15.7227 17.0965 17.0965 17.1007 17.1007 k = 0.0000 0.5000 0.2680 ( 3048 PWs) bands (ev): -16.8885 -16.8885 -16.8885 -16.8885 -14.7177 -14.7177 -14.7177 -14.7177 -12.4650 -12.4649 -12.4643 -12.4643 -12.3760 -12.3760 -12.3754 -12.3754 -6.7606 -6.7606 -6.7606 -6.7606 -3.3554 -3.3553 -3.3546 -3.3546 -2.6590 -2.6590 -2.6545 -2.6545 -2.2277 -2.2277 -2.2235 -2.2235 2.1091 2.1091 2.1125 2.1125 2.8897 2.8897 2.8925 2.8925 3.6745 3.6746 3.6772 3.6772 4.3656 4.3656 4.3691 4.3691 5.2194 5.2194 5.2266 5.2266 5.6822 5.6822 5.6895 5.6895 6.3362 6.3362 6.3405 6.3406 7.0252 7.0252 7.0283 7.0283 15.5623 15.5623 15.5667 15.5667 15.7227 15.7227 15.7287 15.7287 17.0863 17.0863 17.0903 17.0903 k = 0.0000 0.5000 0.2808 ( 3044 PWs) bands (ev): -16.8849 -16.8849 -16.8849 -16.8849 -14.7282 -14.7282 -14.7282 -14.7282 -12.4572 -12.4572 -12.4566 -12.4566 -12.3755 -12.3755 -12.3748 -12.3748 -6.7675 -6.7675 -6.7675 -6.7675 -3.3509 -3.3508 -3.3502 -3.3502 -2.6361 -2.6361 -2.6316 -2.6316 -2.2424 -2.2424 -2.2381 -2.2381 2.1015 2.1015 2.1045 2.1045 2.9238 2.9238 2.9263 2.9263 3.6730 3.6730 3.6758 3.6758 4.3260 4.3260 4.3296 4.3296 5.2317 5.2317 5.2387 5.2387 5.6586 5.6586 5.6659 5.6660 6.3314 6.3314 6.3353 6.3353 7.0367 7.0367 7.0395 7.0395 15.5657 15.5657 15.5698 15.5698 15.7290 15.7290 15.7345 15.7345 17.0767 17.0767 17.0804 17.0804 k = 0.0000 0.5000 0.2935 ( 3044 PWs) bands (ev): -16.8815 -16.8815 -16.8815 -16.8815 -14.7379 -14.7379 -14.7379 -14.7379 -12.4500 -12.4500 -12.4494 -12.4494 -12.3751 -12.3751 -12.3744 -12.3744 -6.7739 -6.7739 -6.7739 -6.7739 -3.3471 -3.3471 -3.3465 -3.3465 -2.6124 -2.6124 -2.6079 -2.6079 -2.2580 -2.2580 -2.2538 -2.2537 2.0942 2.0942 2.0969 2.0969 2.9583 2.9583 2.9605 2.9605 3.6685 3.6685 3.6715 3.6715 4.2896 4.2896 4.2933 4.2933 5.2452 5.2452 5.2520 5.2520 5.6346 5.6346 5.6419 5.6419 6.3270 6.3270 6.3305 6.3305 7.0472 7.0472 7.0496 7.0496 15.5689 15.5689 15.5726 15.5726 15.7349 15.7349 15.7399 15.7399 17.0678 17.0678 17.0711 17.0711 k = 0.0000 0.5000 0.3063 ( 3044 PWs) bands (ev): -16.8784 -16.8784 -16.8784 -16.8784 -14.7467 -14.7467 -14.7466 -14.7466 -12.4434 -12.4434 -12.4428 -12.4428 -12.3748 -12.3748 -12.3742 -12.3742 -6.7797 -6.7797 -6.7796 -6.7796 -3.3440 -3.3440 -3.3435 -3.3434 -2.5881 -2.5881 -2.5837 -2.5837 -2.2746 -2.2746 -2.2703 -2.2703 2.0874 2.0874 2.0897 2.0897 2.9927 2.9927 2.9946 2.9946 3.6612 3.6612 3.6643 3.6643 4.2572 4.2572 4.2609 4.2609 5.2598 5.2598 5.2664 5.2664 5.6104 5.6104 5.6175 5.6176 6.3231 6.3231 6.3262 6.3262 7.0566 7.0566 7.0586 7.0586 15.5718 15.5718 15.5751 15.5752 15.7404 15.7404 15.7450 15.7450 17.0596 17.0596 17.0627 17.0627 k = 0.0000 0.5000 0.3191 ( 3044 PWs) bands (ev): -16.8756 -16.8756 -16.8756 -16.8756 -14.7545 -14.7545 -14.7544 -14.7544 -12.4374 -12.4374 -12.4368 -12.4368 -12.3747 -12.3747 -12.3741 -12.3741 -6.7848 -6.7848 -6.7847 -6.7847 -3.3415 -3.3414 -3.3410 -3.3410 -2.5636 -2.5636 -2.5591 -2.5591 -2.2922 -2.2921 -2.2879 -2.2879 2.0812 2.0812 2.0833 2.0833 3.0263 3.0263 3.0280 3.0280 3.6513 3.6513 3.6543 3.6543 4.2291 4.2291 4.2327 4.2327 5.2754 5.2755 5.2818 5.2818 5.5863 5.5863 5.5932 5.5933 6.3198 6.3198 6.3225 6.3225 7.0649 7.0649 7.0666 7.0666 15.5744 15.5745 15.5774 15.5774 15.7455 15.7455 15.7494 15.7494 17.0524 17.0524 17.0550 17.0550 k = 0.0000 0.5000 0.3318 ( 3040 PWs) bands (ev): -16.8732 -16.8732 -16.8732 -16.8732 -14.7612 -14.7612 -14.7611 -14.7611 -12.4322 -12.4322 -12.4316 -12.4316 -12.3747 -12.3746 -12.3741 -12.3741 -6.7891 -6.7891 -6.7891 -6.7891 -3.3394 -3.3394 -3.3391 -3.3390 -2.5388 -2.5388 -2.5344 -2.5344 -2.3106 -2.3106 -2.3063 -2.3063 2.0759 2.0759 2.0775 2.0775 3.0585 3.0585 3.0599 3.0599 3.6391 3.6391 3.6421 3.6421 4.2056 4.2056 4.2089 4.2089 5.2918 5.2918 5.2978 5.2978 5.5627 5.5627 5.5693 5.5694 6.3170 6.3170 6.3192 6.3192 7.0719 7.0719 7.0734 7.0734 15.5768 15.5768 15.5792 15.5792 15.7500 15.7500 15.7533 15.7533 17.0461 17.0461 17.0484 17.0484 k = 0.0000 0.5000 0.3446 ( 3036 PWs) bands (ev): -16.8711 -16.8711 -16.8711 -16.8711 -14.7667 -14.7667 -14.7667 -14.7667 -12.4277 -12.4277 -12.4272 -12.4272 -12.3747 -12.3747 -12.3742 -12.3742 -6.7927 -6.7927 -6.7927 -6.7927 -3.3379 -3.3379 -3.3376 -3.3376 -2.5141 -2.5141 -2.5097 -2.5097 -2.3300 -2.3300 -2.3257 -2.3257 2.0713 2.0713 2.0727 2.0727 3.0880 3.0880 3.0893 3.0893 3.6258 3.6258 3.6284 3.6284 4.1868 4.1868 4.1897 4.1897 5.3084 5.3084 5.3140 5.3141 5.5401 5.5401 5.5463 5.5464 6.3147 6.3147 6.3165 6.3165 7.0778 7.0778 7.0789 7.0789 15.5787 15.5788 15.5807 15.5808 15.7538 15.7538 15.7565 15.7565 17.0409 17.0409 17.0428 17.0428 k = 0.0000 0.5000 0.3573 ( 3042 PWs) bands (ev): -16.8696 -16.8696 -16.8696 -16.8696 -14.7711 -14.7711 -14.7711 -14.7711 -12.4241 -12.4241 -12.4237 -12.4237 -12.3749 -12.3748 -12.3745 -12.3745 -6.7956 -6.7956 -6.7956 -6.7956 -3.3367 -3.3367 -3.3365 -3.3365 -2.4896 -2.4896 -2.4853 -2.4852 -2.3502 -2.3502 -2.3459 -2.3459 2.0678 2.0678 2.0688 2.0688 3.1137 3.1137 3.1147 3.1147 3.6126 3.6126 3.6148 3.6148 4.1726 4.1726 4.1749 4.1749 5.3246 5.3246 5.3297 5.3297 5.5195 5.5195 5.5250 5.5250 6.3130 6.3130 6.3143 6.3143 7.0824 7.0824 7.0832 7.0832 15.5803 15.5804 15.5819 15.5819 15.7569 15.7569 15.7590 15.7590 17.0369 17.0369 17.0383 17.0383 k = 0.0000 0.5000 0.3701 ( 3046 PWs) bands (ev): -16.8684 -16.8684 -16.8684 -16.8684 -14.7743 -14.7743 -14.7743 -14.7743 -12.4214 -12.4214 -12.4211 -12.4211 -12.3750 -12.3750 -12.3747 -12.3747 -6.7976 -6.7976 -6.7976 -6.7976 -3.3359 -3.3359 -3.3357 -3.3357 -2.4656 -2.4656 -2.4613 -2.4613 -2.3710 -2.3710 -2.3668 -2.3668 2.0652 2.0652 2.0659 2.0659 3.1339 3.1339 3.1346 3.1346 3.6013 3.6013 3.6029 3.6029 4.1629 4.1629 4.1644 4.1644 5.3394 5.3394 5.3434 5.3435 5.5021 5.5021 5.5065 5.5065 6.3118 6.3118 6.3127 6.3127 7.0857 7.0857 7.0863 7.0863 15.5816 15.5816 15.5826 15.5826 15.7593 15.7593 15.7607 15.7607 17.0340 17.0340 17.0349 17.0349 k = 0.0000 0.5000 0.3829 ( 3042 PWs) bands (ev): -16.8677 -16.8677 -16.8677 -16.8677 -14.7762 -14.7762 -14.7762 -14.7762 -12.4197 -12.4197 -12.4196 -12.4196 -12.3750 -12.3750 -12.3749 -12.3749 -6.7989 -6.7989 -6.7989 -6.7989 -3.3354 -3.3354 -3.3353 -3.3353 -2.4426 -2.4426 -2.4386 -2.4386 -2.3919 -2.3919 -2.3879 -2.3879 2.0637 2.0637 2.0641 2.0641 3.1470 3.1470 3.1474 3.1474 3.5938 3.5938 3.5946 3.5946 4.1573 4.1573 4.1581 4.1581 5.3507 5.3507 5.3531 5.3531 5.4904 5.4904 5.4929 5.4929 6.3112 6.3112 6.3117 6.3117 7.0878 7.0878 7.0881 7.0881 15.5825 15.5825 15.5830 15.5830 15.7609 15.7609 15.7616 15.7616 17.0324 17.0324 17.0329 17.0329 k = 0.0000 0.5000 0.3956 ( 3036 PWs) bands (ev): -16.8675 -16.8675 -16.8675 -16.8675 -14.7768 -14.7768 -14.7768 -14.7768 -12.4191 -12.4191 -12.4191 -12.4191 -12.3750 -12.3750 -12.3750 -12.3750 -6.7993 -6.7993 -6.7993 -6.7993 -3.3352 -3.3352 -3.3352 -3.3352 -2.4256 -2.4256 -2.4256 -2.4256 -2.4043 -2.4043 -2.4043 -2.4043 2.0634 2.0634 2.0634 2.0634 3.1517 3.1517 3.1517 3.1517 3.5913 3.5913 3.5913 3.5913 4.1557 4.1557 4.1557 4.1557 5.3558 5.3558 5.3558 5.3558 5.4869 5.4869 5.4869 5.4869 6.3112 6.3112 6.3112 6.3112 7.0886 7.0886 7.0886 7.0886 15.5829 15.5829 15.5829 15.5829 15.7617 15.7617 15.7617 15.7617 17.0320 17.0320 17.0320 17.0320 k = 0.5000 0.5000-0.0000 ( 3048 PWs) bands (ev): -15.9599 -15.9599 -15.9598 -15.9598 -15.7144 -15.7144 -15.7143 -15.7143 -12.7855 -12.7855 -12.7855 -12.7855 -12.5301 -12.5301 -12.5300 -12.5300 -5.3624 -5.3624 -5.3624 -5.3624 -4.9190 -4.9190 -4.9189 -4.9189 -1.8498 -1.8498 -1.8498 -1.8498 -1.3239 -1.3239 -1.3239 -1.3239 1.6875 1.6875 1.6876 1.6876 2.4409 2.4409 2.4409 2.4409 3.3758 3.3758 3.3759 3.3759 3.9397 3.9397 3.9398 3.9398 5.6453 5.6453 5.6454 5.6454 5.8395 5.8395 5.8395 5.8395 6.7132 6.7132 6.7132 6.7132 6.7552 6.7552 6.7552 6.7552 14.7004 14.7004 14.7004 14.7004 17.2228 17.2228 17.2232 17.2232 17.5543 17.5543 17.5545 17.5545 k = 0.5000 0.5000 0.0128 ( 3048 PWs) bands (ev): -15.9597 -15.9597 -15.9596 -15.9596 -15.7145 -15.7144 -15.7143 -15.7143 -12.7856 -12.7855 -12.7855 -12.7855 -12.5304 -12.5304 -12.5304 -12.5304 -5.3617 -5.3616 -5.3616 -5.3616 -4.9187 -4.9186 -4.9185 -4.9185 -1.8501 -1.8501 -1.8499 -1.8498 -1.3247 -1.3247 -1.3246 -1.3245 1.6884 1.6884 1.6886 1.6886 2.4409 2.4410 2.4416 2.4416 3.3754 3.3754 3.3758 3.3758 3.9390 3.9391 3.9391 3.9391 5.6431 5.6432 5.6437 5.6437 5.8375 5.8375 5.8378 5.8378 6.7143 6.7144 6.7148 6.7148 6.7562 6.7562 6.7565 6.7565 14.7020 14.7020 14.7021 14.7021 17.2213 17.2214 17.2217 17.2218 17.5555 17.5556 17.5556 17.5557 k = 0.5000 0.5000 0.0255 ( 3040 PWs) bands (ev): -15.9590 -15.9590 -15.9589 -15.9589 -15.7147 -15.7147 -15.7146 -15.7146 -12.7858 -12.7858 -12.7857 -12.7857 -12.5316 -12.5316 -12.5316 -12.5315 -5.3592 -5.3592 -5.3592 -5.3591 -4.9176 -4.9175 -4.9174 -4.9173 -1.8508 -1.8507 -1.8503 -1.8503 -1.3270 -1.3269 -1.3266 -1.3266 1.6911 1.6912 1.6915 1.6915 2.4417 2.4418 2.4430 2.4430 3.3746 3.3746 3.3754 3.3754 3.9370 3.9370 3.9371 3.9371 5.6372 5.6372 5.6382 5.6382 5.8317 5.8317 5.8323 5.8323 6.7182 6.7182 6.7191 6.7191 6.7596 6.7596 6.7601 6.7601 14.7070 14.7070 14.7070 14.7070 17.2170 17.2172 17.2174 17.2175 17.5592 17.5593 17.5594 17.5594 k = 0.5000 0.5000 0.0383 ( 3040 PWs) bands (ev): -15.9580 -15.9579 -15.9578 -15.9578 -15.7151 -15.7150 -15.7150 -15.7149 -12.7862 -12.7861 -12.7861 -12.7861 -12.5335 -12.5335 -12.5335 -12.5334 -5.3552 -5.3552 -5.3551 -5.3551 -4.9158 -4.9156 -4.9156 -4.9154 -1.8518 -1.8518 -1.8511 -1.8511 -1.3306 -1.3306 -1.3301 -1.3300 1.6957 1.6958 1.6962 1.6963 2.4433 2.4433 2.4451 2.4451 3.3733 3.3734 3.3745 3.3746 3.9335 3.9336 3.9337 3.9337 5.6276 5.6276 5.6291 5.6291 5.8223 5.8223 5.8232 5.8232 6.7246 6.7246 6.7260 6.7260 6.7651 6.7652 6.7659 6.7660 14.7152 14.7152 14.7152 14.7153 17.2097 17.2099 17.2101 17.2103 17.5655 17.5656 17.5656 17.5657 k = 0.5000 0.5000 0.0510 ( 3040 PWs) bands (ev): -15.9564 -15.9564 -15.9563 -15.9563 -15.7156 -15.7156 -15.7155 -15.7155 -12.7866 -12.7866 -12.7865 -12.7865 -12.5362 -12.5361 -12.5361 -12.5361 -5.3496 -5.3496 -5.3495 -5.3495 -4.9132 -4.9131 -4.9130 -4.9129 -1.8531 -1.8531 -1.8523 -1.8523 -1.3357 -1.3356 -1.3349 -1.3349 1.7022 1.7022 1.7029 1.7029 2.4455 2.4455 2.4479 2.4479 3.3717 3.3717 3.3733 3.3733 3.9288 3.9288 3.9289 3.9290 5.6146 5.6147 5.6166 5.6166 5.8095 5.8095 5.8107 5.8107 6.7334 6.7334 6.7352 6.7352 6.7728 6.7728 6.7738 6.7738 14.7266 14.7267 14.7267 14.7267 17.1993 17.1996 17.1997 17.2000 17.5745 17.5746 17.5746 17.5747 k = 0.5000 0.5000 0.0638 ( 3040 PWs) bands (ev): -15.9545 -15.9544 -15.9544 -15.9543 -15.7164 -15.7163 -15.7163 -15.7162 -12.7873 -12.7872 -12.7871 -12.7871 -12.5396 -12.5395 -12.5395 -12.5394 -5.3425 -5.3424 -5.3424 -5.3423 -4.9101 -4.9099 -4.9098 -4.9096 -1.8548 -1.8548 -1.8537 -1.8537 -1.3421 -1.3420 -1.3412 -1.3411 1.7104 1.7105 1.7113 1.7114 2.4483 2.4483 2.4513 2.4513 3.3696 3.3696 3.3716 3.3716 3.9226 3.9227 3.9229 3.9229 5.5986 5.5987 5.6010 5.6010 5.7936 5.7936 5.7950 5.7950 6.7443 6.7443 6.7464 6.7465 6.7822 6.7823 6.7834 6.7835 14.7413 14.7413 14.7414 14.7414 17.1856 17.1860 17.1860 17.1864 17.5864 17.5864 17.5865 17.5865 k = 0.5000 0.5000 0.0766 ( 3040 PWs) bands (ev): -15.9521 -15.9521 -15.9520 -15.9520 -15.7173 -15.7172 -15.7172 -15.7171 -12.7880 -12.7879 -12.7878 -12.7878 -12.5437 -12.5436 -12.5435 -12.5435 -5.3338 -5.3338 -5.3337 -5.3336 -4.9063 -4.9061 -4.9059 -4.9058 -1.8567 -1.8567 -1.8554 -1.8554 -1.3498 -1.3498 -1.3487 -1.3487 1.7205 1.7205 1.7216 1.7216 2.4517 2.4517 2.4554 2.4554 3.3672 3.3672 3.3696 3.3696 3.9152 3.9153 3.9155 3.9155 5.5799 5.5800 5.5827 5.5827 5.7748 5.7748 5.7764 5.7764 6.7571 6.7571 6.7595 6.7595 6.7933 6.7933 6.7947 6.7947 14.7591 14.7592 14.7593 14.7593 17.1686 17.1690 17.1691 17.1695 17.6011 17.6012 17.6012 17.6013 k = 0.5000 0.5000 0.0893 ( 3040 PWs) bands (ev): -15.9494 -15.9493 -15.9493 -15.9492 -15.7183 -15.7182 -15.7182 -15.7181 -12.7887 -12.7887 -12.7885 -12.7885 -12.5484 -12.5484 -12.5483 -12.5482 -5.3238 -5.3237 -5.3236 -5.3235 -4.9020 -4.9018 -4.9016 -4.9014 -1.8588 -1.8588 -1.8574 -1.8573 -1.3589 -1.3589 -1.3576 -1.3576 1.7323 1.7324 1.7336 1.7336 2.4557 2.4557 2.4599 2.4599 3.3644 3.3645 3.3672 3.3673 3.9065 3.9065 3.9068 3.9069 5.5589 5.5590 5.5620 5.5620 5.7535 5.7535 5.7552 5.7552 6.7714 6.7714 6.7741 6.7741 6.8057 6.8057 6.8072 6.8072 14.7801 14.7801 14.7802 14.7803 17.1482 17.1485 17.1488 17.1492 17.6187 17.6188 17.6189 17.6190 k = 0.5000 0.5000 0.1021 ( 3032 PWs) bands (ev): -15.9462 -15.9461 -15.9461 -15.9460 -15.7196 -15.7195 -15.7195 -15.7194 -12.7895 -12.7895 -12.7893 -12.7893 -12.5538 -12.5538 -12.5537 -12.5536 -5.3123 -5.3122 -5.3121 -5.3120 -4.8972 -4.8971 -4.8967 -4.8966 -1.8611 -1.8611 -1.8594 -1.8594 -1.3692 -1.3692 -1.3678 -1.3678 1.7459 1.7459 1.7473 1.7474 2.4601 2.4601 2.4649 2.4649 3.3614 3.3614 3.3646 3.3646 3.8965 3.8966 3.8969 3.8969 5.5360 5.5361 5.5393 5.5394 5.7300 5.7301 5.7319 5.7319 6.7869 6.7869 6.7898 6.7899 6.8191 6.8192 6.8207 6.8207 14.8041 14.8042 14.8043 14.8043 17.1244 17.1247 17.1252 17.1255 17.6391 17.6393 17.6394 17.6396 k = 0.5000 0.5000 0.1149 ( 3040 PWs) bands (ev): -15.9427 -15.9426 -15.9426 -15.9425 -15.7210 -15.7209 -15.7209 -15.7208 -12.7904 -12.7903 -12.7901 -12.7901 -12.5598 -12.5598 -12.5597 -12.5596 -5.2995 -5.2995 -5.2993 -5.2992 -4.8921 -4.8919 -4.8916 -4.8914 -1.8634 -1.8634 -1.8616 -1.8615 -1.3808 -1.3808 -1.3792 -1.3791 1.7611 1.7612 1.7628 1.7628 2.4649 2.4649 2.4702 2.4703 3.3581 3.3581 3.3617 3.3617 3.8853 3.8854 3.8858 3.8858 5.5116 5.5117 5.5151 5.5152 5.7047 5.7047 5.7066 5.7066 6.8033 6.8033 6.8064 6.8065 6.8334 6.8334 6.8350 6.8351 14.8311 14.8312 14.8313 14.8313 17.0972 17.0976 17.0982 17.0985 17.6622 17.6624 17.6627 17.6629 k = 0.5000 0.5000 0.1276 ( 3048 PWs) bands (ev): -15.9388 -15.9387 -15.9387 -15.9386 -15.7227 -15.7225 -15.7225 -15.7224 -12.7912 -12.7912 -12.7909 -12.7909 -12.5664 -12.5664 -12.5662 -12.5662 -5.2855 -5.2854 -5.2852 -5.2852 -4.8867 -4.8865 -4.8861 -4.8860 -1.8657 -1.8657 -1.8637 -1.8637 -1.3935 -1.3935 -1.3917 -1.3917 1.7779 1.7780 1.7798 1.7798 2.4698 2.4699 2.4758 2.4758 3.3546 3.3546 3.3586 3.3586 3.8729 3.8730 3.8734 3.8734 5.4861 5.4862 5.4898 5.4898 5.6778 5.6779 5.6797 5.6797 6.8204 6.8204 6.8236 6.8237 6.8483 6.8483 6.8499 6.8499 14.8610 14.8610 14.8612 14.8612 17.0669 17.0672 17.0680 17.0683 17.6878 17.6880 17.6885 17.6887 k = 0.5000 0.5000 0.1404 ( 3052 PWs) bands (ev): -15.9345 -15.9344 -15.9344 -15.9343 -15.7245 -15.7244 -15.7244 -15.7242 -12.7919 -12.7919 -12.7917 -12.7917 -12.5735 -12.5735 -12.5733 -12.5733 -5.2703 -5.2703 -5.2700 -5.2700 -4.8811 -4.8810 -4.8805 -4.8803 -1.8680 -1.8680 -1.8658 -1.8657 -1.4073 -1.4072 -1.4053 -1.4053 1.7963 1.7964 1.7984 1.7984 2.4749 2.4750 2.4815 2.4815 3.3510 3.3510 3.3554 3.3554 3.8594 3.8594 3.8599 3.8600 5.4599 5.4600 5.4637 5.4638 5.6497 5.6498 5.6516 5.6516 6.8378 6.8379 6.8412 6.8412 6.8635 6.8635 6.8651 6.8651 14.8937 14.8937 14.8939 14.8939 17.0335 17.0338 17.0347 17.0350 17.7158 17.7159 17.7166 17.7168 k = 0.5000 0.5000 0.1531 ( 3060 PWs) bands (ev): -15.9300 -15.9298 -15.9298 -15.9297 -15.7265 -15.7264 -15.7264 -15.7263 -12.7926 -12.7926 -12.7923 -12.7923 -12.5811 -12.5811 -12.5809 -12.5808 -5.2541 -5.2540 -5.2538 -5.2537 -4.8755 -4.8753 -4.8748 -4.8747 -1.8701 -1.8701 -1.8677 -1.8677 -1.4221 -1.4221 -1.4200 -1.4200 1.8162 1.8162 1.8184 1.8185 2.4800 2.4800 2.4870 2.4871 3.3473 3.3473 3.3521 3.3521 3.8448 3.8448 3.8454 3.8454 5.4333 5.4334 5.4372 5.4373 5.6207 5.6207 5.6225 5.6225 6.8554 6.8555 6.8588 6.8589 6.8789 6.8789 6.8804 6.8805 14.9291 14.9292 14.9293 14.9293 16.9972 16.9975 16.9985 16.9988 17.7457 17.7459 17.7468 17.7470 k = 0.5000 0.5000 0.1659 ( 3060 PWs) bands (ev): -15.9250 -15.9249 -15.9249 -15.9248 -15.7288 -15.7287 -15.7286 -15.7285 -12.7932 -12.7932 -12.7929 -12.7928 -12.5891 -12.5891 -12.5889 -12.5888 -5.2369 -5.2369 -5.2366 -5.2365 -4.8699 -4.8698 -4.8692 -4.8690 -1.8719 -1.8719 -1.8693 -1.8693 -1.4378 -1.4378 -1.4356 -1.4356 1.8375 1.8375 1.8399 1.8400 2.4849 2.4849 2.4924 2.4924 3.3438 3.3438 3.3489 3.3489 3.8291 3.8291 3.8297 3.8297 5.4068 5.4068 5.4108 5.4108 5.5910 5.5910 5.5927 5.5927 6.8730 6.8730 6.8764 6.8765 6.8943 6.8943 6.8957 6.8958 14.9672 14.9672 14.9673 14.9674 16.9582 16.9585 16.9596 16.9599 17.7773 17.7775 17.7786 17.7788 k = 0.5000 0.5000 0.1787 ( 3052 PWs) bands (ev): -15.9198 -15.9197 -15.9197 -15.9196 -15.7313 -15.7311 -15.7311 -15.7310 -12.7936 -12.7935 -12.7932 -12.7932 -12.5975 -12.5975 -12.5972 -12.5972 -5.2189 -5.2188 -5.2185 -5.2184 -4.8645 -4.8644 -4.8637 -4.8636 -1.8734 -1.8734 -1.8707 -1.8706 -1.4545 -1.4544 -1.4521 -1.4520 1.8601 1.8602 1.8628 1.8628 2.4893 2.4894 2.4974 2.4974 3.3404 3.3404 3.3459 3.3460 3.8124 3.8124 3.8131 3.8131 5.3805 5.3806 5.3845 5.3846 5.5609 5.5609 5.5625 5.5626 6.8903 6.8903 6.8938 6.8938 6.9095 6.9096 6.9109 6.9109 15.0078 15.0078 15.0079 15.0080 16.9166 16.9169 16.9181 16.9183 17.8103 17.8105 17.8118 17.8120 k = 0.5000 0.5000 0.1914 ( 3056 PWs) bands (ev): -15.9144 -15.9143 -15.9142 -15.9141 -15.7340 -15.7338 -15.7338 -15.7337 -12.7938 -12.7937 -12.7934 -12.7934 -12.6062 -12.6062 -12.6059 -12.6059 -5.2001 -5.2001 -5.1997 -5.1996 -4.8594 -4.8593 -4.8586 -4.8585 -1.8745 -1.8744 -1.8716 -1.8715 -1.4719 -1.4718 -1.4693 -1.4693 1.8840 1.8840 1.8869 1.8869 2.4932 2.4932 2.5017 2.5018 3.3374 3.3374 3.3433 3.3433 3.7947 3.7947 3.7955 3.7956 5.3549 5.3549 5.3589 5.3589 5.5307 5.5307 5.5322 5.5322 6.9072 6.9073 6.9106 6.9107 6.9245 6.9245 6.9257 6.9258 15.0507 15.0508 15.0509 15.0509 16.8726 16.8729 16.8741 16.8743 17.8443 17.8446 17.8460 17.8462 k = 0.5000 0.5000 0.2042 ( 3056 PWs) bands (ev): -15.9087 -15.9085 -15.9085 -15.9084 -15.7369 -15.7368 -15.7367 -15.7366 -12.7937 -12.7937 -12.7934 -12.7933 -12.6152 -12.6152 -12.6149 -12.6149 -5.1808 -5.1807 -5.1803 -5.1802 -4.8548 -4.8546 -4.8539 -4.8538 -1.8750 -1.8749 -1.8719 -1.8719 -1.4899 -1.4899 -1.4873 -1.4872 1.9090 1.9090 1.9121 1.9121 2.4963 2.4964 2.5053 2.5053 3.3349 3.3350 3.3411 3.3411 3.7762 3.7762 3.7771 3.7771 5.3301 5.3302 5.3341 5.3342 5.5005 5.5006 5.5019 5.5019 6.9236 6.9236 6.9270 6.9270 6.9390 6.9391 6.9401 6.9401 15.0960 15.0960 15.0961 15.0962 16.8263 16.8266 16.8278 16.8281 17.8790 17.8793 17.8809 17.8812 k = 0.5000 0.5000 0.2170 ( 3040 PWs) bands (ev): -15.9027 -15.9026 -15.9025 -15.9024 -15.7401 -15.7399 -15.7399 -15.7397 -12.7934 -12.7934 -12.7930 -12.7930 -12.6244 -12.6244 -12.6241 -12.6240 -5.1609 -5.1608 -5.1604 -5.1603 -4.8506 -4.8505 -4.8497 -4.8496 -1.8748 -1.8748 -1.8717 -1.8716 -1.5086 -1.5086 -1.5058 -1.5058 1.9351 1.9351 1.9384 1.9384 2.4985 2.4985 2.5078 2.5078 3.3331 3.3332 3.3395 3.3396 3.7569 3.7569 3.7579 3.7579 5.3065 5.3066 5.3105 5.3105 5.4707 5.4708 5.4719 5.4719 6.9394 6.9394 6.9427 6.9427 6.9530 6.9531 6.9540 6.9540 15.1434 15.1435 15.1435 15.1436 16.7779 16.7781 16.7794 16.7797 17.9141 17.9143 17.9162 17.9164 k = 0.5000 0.5000 0.2297 ( 3036 PWs) bands (ev): -15.8965 -15.8964 -15.8963 -15.8962 -15.7435 -15.7434 -15.7433 -15.7432 -12.7928 -12.7928 -12.7924 -12.7924 -12.6338 -12.6337 -12.6334 -12.6334 -5.1407 -5.1406 -5.1401 -5.1400 -4.8472 -4.8471 -4.8463 -4.8461 -1.8740 -1.8740 -1.8707 -1.8707 -1.5278 -1.5277 -1.5248 -1.5248 1.9621 1.9621 1.9657 1.9657 2.4993 2.4994 2.5089 2.5090 3.3322 3.3322 3.3388 3.3388 3.7368 3.7368 3.7379 3.7379 5.2843 5.2843 5.2881 5.2882 5.4414 5.4415 5.4424 5.4425 6.9544 6.9544 6.9576 6.9576 6.9665 6.9665 6.9672 6.9672 15.1929 15.1930 15.1930 15.1931 16.7275 16.7278 16.7290 16.7293 17.9490 17.9493 17.9513 17.9515 k = 0.5000 0.5000 0.2425 ( 3036 PWs) bands (ev): -15.8902 -15.8901 -15.8900 -15.8899 -15.7471 -15.7470 -15.7469 -15.7468 -12.7918 -12.7918 -12.7914 -12.7914 -12.6432 -12.6432 -12.6429 -12.6428 -5.1202 -5.1201 -5.1196 -5.1195 -4.8445 -4.8444 -4.8436 -4.8434 -1.8724 -1.8723 -1.8689 -1.8689 -1.5473 -1.5473 -1.5442 -1.5442 1.9899 1.9900 1.9937 1.9938 2.4988 2.4988 2.5086 2.5086 3.3323 3.3324 3.3391 3.3391 3.7160 3.7161 3.7173 3.7173 5.2636 5.2636 5.2674 5.2674 5.4129 5.4129 5.4137 5.4137 6.9685 6.9685 6.9716 6.9716 6.9792 6.9792 6.9797 6.9798 15.2442 15.2443 15.2443 15.2444 16.6753 16.6756 16.6768 16.6770 17.9835 17.9837 17.9859 17.9862 k = 0.5000 0.5000 0.2552 ( 3028 PWs) bands (ev): -15.8837 -15.8836 -15.8835 -15.8834 -15.7511 -15.7509 -15.7508 -15.7507 -12.7905 -12.7905 -12.7901 -12.7901 -12.6528 -12.6527 -12.6524 -12.6523 -5.0996 -5.0996 -5.0990 -5.0989 -4.8428 -4.8427 -4.8418 -4.8417 -1.8698 -1.8698 -1.8663 -1.8663 -1.5671 -1.5671 -1.5639 -1.5639 2.0185 2.0185 2.0225 2.0226 2.4965 2.4966 2.5066 2.5066 3.3337 3.3337 3.3406 3.3406 3.6947 3.6948 3.6961 3.6962 5.2446 5.2447 5.2483 5.2484 5.3852 5.3852 5.3858 5.3858 6.9817 6.9818 6.9847 6.9847 6.9911 6.9911 6.9915 6.9915 15.2974 15.2974 15.2974 15.2975 16.6214 16.6217 16.6229 16.6231 18.0172 18.0174 18.0198 18.0200 k = 0.5000 0.5000 0.2680 ( 3028 PWs) bands (ev): -15.8771 -15.8770 -15.8769 -15.8768 -15.7552 -15.7551 -15.7550 -15.7549 -12.7888 -12.7888 -12.7884 -12.7883 -12.6623 -12.6622 -12.6619 -12.6618 -5.0791 -5.0790 -5.0784 -5.0784 -4.8420 -4.8419 -4.8410 -4.8409 -1.8663 -1.8663 -1.8627 -1.8627 -1.5871 -1.5871 -1.5838 -1.5838 2.0476 2.0476 2.0519 2.0520 2.4924 2.4925 2.5026 2.5026 3.3365 3.3365 3.3434 3.3434 3.6730 3.6730 3.6745 3.6745 5.2276 5.2276 5.2312 5.2312 5.3586 5.3586 5.3590 5.3590 6.9940 6.9940 6.9968 6.9969 7.0022 7.0022 7.0024 7.0024 15.3521 15.3521 15.3522 15.3522 16.5660 16.5662 16.5674 16.5676 18.0498 18.0500 18.0525 18.0527 k = 0.5000 0.5000 0.2808 ( 3036 PWs) bands (ev): -15.8704 -15.8702 -15.8701 -15.8700 -15.7597 -15.7595 -15.7594 -15.7593 -12.7867 -12.7866 -12.7862 -12.7862 -12.6717 -12.6717 -12.6713 -12.6712 -5.0587 -5.0587 -5.0580 -5.0580 -4.8424 -4.8423 -4.8413 -4.8412 -1.8619 -1.8618 -1.8581 -1.8581 -1.6071 -1.6071 -1.6037 -1.6037 2.0771 2.0772 2.0818 2.0818 2.4863 2.4863 2.4965 2.4965 3.3408 3.3408 3.3477 3.3477 3.6508 3.6508 3.6525 3.6525 5.2126 5.2126 5.2160 5.2161 5.3332 5.3333 5.3334 5.3335 7.0052 7.0052 7.0079 7.0079 7.0123 7.0124 7.0124 7.0124 15.4084 15.4084 15.4084 15.4085 16.5091 16.5093 16.5104 16.5106 18.0809 18.0811 18.0837 18.0840 k = 0.5000 0.5000 0.2935 ( 3044 PWs) bands (ev): -15.8636 -15.8635 -15.8633 -15.8632 -15.7643 -15.7642 -15.7641 -15.7640 -12.7841 -12.7841 -12.7836 -12.7836 -12.6810 -12.6810 -12.6806 -12.6806 -5.0387 -5.0386 -5.0379 -5.0379 -4.8439 -4.8438 -4.8428 -4.8427 -1.8563 -1.8563 -1.8525 -1.8525 -1.6271 -1.6270 -1.6236 -1.6235 2.1069 2.1070 2.1119 2.1119 2.4781 2.4781 2.4882 2.4882 3.3468 3.3468 3.3536 3.3536 3.6284 3.6284 3.6303 3.6303 5.1997 5.1998 5.2030 5.2031 5.3093 5.3093 5.3093 5.3093 7.0154 7.0154 7.0179 7.0179 7.0214 7.0214 7.0216 7.0216 15.4659 15.4660 15.4660 15.4660 16.4510 16.4512 16.4523 16.4524 18.1103 18.1106 18.1133 18.1135 k = 0.5000 0.5000 0.3063 ( 3044 PWs) bands (ev): -15.8567 -15.8566 -15.8565 -15.8564 -15.7692 -15.7691 -15.7690 -15.7689 -12.7810 -12.7810 -12.7806 -12.7806 -12.6902 -12.6902 -12.6898 -12.6897 -5.0190 -5.0189 -5.0183 -5.0182 -4.8467 -4.8465 -4.8456 -4.8455 -1.8496 -1.8496 -1.8458 -1.8457 -1.6468 -1.6468 -1.6432 -1.6432 2.1369 2.1369 2.1422 2.1422 2.4676 2.4676 2.4776 2.4776 3.3545 3.3546 3.3611 3.3612 3.6058 3.6058 3.6079 3.6080 5.1891 5.1892 5.1923 5.1923 5.2867 5.2867 5.2869 5.2870 7.0244 7.0244 7.0268 7.0268 7.0294 7.0295 7.0299 7.0299 15.5247 15.5247 15.5248 15.5249 16.3918 16.3920 16.3929 16.3931 18.1379 18.1381 18.1409 18.1412 k = 0.5000 0.5000 0.3191 ( 3044 PWs) bands (ev): -15.8499 -15.8497 -15.8496 -15.8495 -15.7744 -15.7743 -15.7741 -15.7740 -12.7775 -12.7775 -12.7771 -12.7770 -12.6991 -12.6991 -12.6987 -12.6987 -4.9999 -4.9999 -4.9991 -4.9991 -4.8507 -4.8506 -4.8497 -4.8496 -1.8418 -1.8418 -1.8379 -1.8379 -1.6663 -1.6663 -1.6626 -1.6626 2.1668 2.1669 2.1724 2.1724 2.4549 2.4549 2.4647 2.4647 3.3640 3.3641 3.3704 3.3704 3.5832 3.5832 3.5856 3.5856 5.1809 5.1809 5.1839 5.1839 5.2658 5.2658 5.2662 5.2663 7.0323 7.0324 7.0346 7.0346 7.0365 7.0365 7.0371 7.0371 15.5845 15.5846 15.5846 15.5847 16.3316 16.3317 16.3327 16.3328 18.1635 18.1637 18.1666 18.1668 k = 0.5000 0.5000 0.3318 ( 3044 PWs) bands (ev): -15.8430 -15.8429 -15.8428 -15.8427 -15.7797 -15.7796 -15.7795 -15.7794 -12.7735 -12.7735 -12.7731 -12.7730 -12.7078 -12.7078 -12.7074 -12.7074 -4.9815 -4.9815 -4.9807 -4.9806 -4.8561 -4.8560 -4.8551 -4.8550 -1.8328 -1.8328 -1.8289 -1.8288 -1.6854 -1.6853 -1.6816 -1.6816 2.1965 2.1966 2.2025 2.2025 2.4400 2.4400 2.4495 2.4495 3.3753 3.3753 3.3814 3.3814 3.5607 3.5607 3.5634 3.5634 5.1750 5.1750 5.1778 5.1779 5.2467 5.2467 5.2474 5.2474 7.0391 7.0392 7.0412 7.0412 7.0424 7.0424 7.0432 7.0433 15.6452 15.6453 15.6454 15.6455 16.2705 16.2707 16.2715 16.2717 18.1870 18.1872 18.1901 18.1903 k = 0.5000 0.5000 0.3446 ( 3044 PWs) bands (ev): -15.8362 -15.8361 -15.8359 -15.8358 -15.7853 -15.7852 -15.7851 -15.7850 -12.7690 -12.7690 -12.7686 -12.7685 -12.7162 -12.7162 -12.7158 -12.7157 -4.9639 -4.9639 -4.9631 -4.9630 -4.8629 -4.8628 -4.8618 -4.8617 -1.8227 -1.8226 -1.8187 -1.8187 -1.7039 -1.7039 -1.7001 -1.7001 2.2259 2.2259 2.2322 2.2322 2.4229 2.4229 2.4321 2.4321 3.3882 3.3883 3.3940 3.3941 3.5385 3.5385 3.5414 3.5414 5.1715 5.1716 5.1742 5.1742 5.2295 5.2295 5.2304 5.2304 7.0447 7.0448 7.0467 7.0467 7.0473 7.0473 7.0483 7.0483 15.7067 15.7068 15.7070 15.7071 16.2087 16.2089 16.2097 16.2098 18.2084 18.2087 18.2116 18.2118 k = 0.5000 0.5000 0.3573 ( 3040 PWs) bands (ev): -15.8294 -15.8293 -15.8292 -15.8290 -15.7911 -15.7910 -15.7909 -15.7908 -12.7640 -12.7640 -12.7636 -12.7635 -12.7243 -12.7243 -12.7238 -12.7238 -4.9472 -4.9472 -4.9463 -4.9462 -4.8711 -4.8709 -4.8700 -4.8699 -1.8114 -1.8114 -1.8074 -1.8074 -1.7218 -1.7218 -1.7180 -1.7180 2.2546 2.2546 2.2613 2.2613 2.4037 2.4037 2.4126 2.4127 3.4028 3.4028 3.4083 3.4083 3.5166 3.5167 3.5199 3.5199 5.1705 5.1705 5.1730 5.1730 5.2144 5.2144 5.2155 5.2155 7.0492 7.0492 7.0510 7.0510 7.0510 7.0511 7.0522 7.0522 15.7689 15.7690 15.7692 15.7693 16.1464 16.1466 16.1473 16.1474 18.2279 18.2281 18.2310 18.2313 k = 0.5000 0.5000 0.3701 ( 3032 PWs) bands (ev): -15.8227 -15.8226 -15.8224 -15.8223 -15.7971 -15.7970 -15.7969 -15.7967 -12.7586 -12.7585 -12.7581 -12.7580 -12.7320 -12.7320 -12.7315 -12.7315 -4.9316 -4.9315 -4.9306 -4.9305 -4.8806 -4.8805 -4.8795 -4.8794 -1.7990 -1.7990 -1.7950 -1.7949 -1.7390 -1.7390 -1.7351 -1.7351 2.2826 2.2826 2.2896 2.2896 2.3826 2.3827 2.3912 2.3912 3.4189 3.4189 3.4240 3.4240 3.4954 3.4954 3.4989 3.4989 5.1719 5.1719 5.1742 5.1742 5.2014 5.2014 5.2027 5.2027 7.0525 7.0525 7.0537 7.0537 7.0541 7.0541 7.0550 7.0550 15.8315 15.8316 15.8319 15.8320 16.0837 16.0838 16.0845 16.0846 18.2455 18.2458 18.2487 18.2488 k = 0.5000 0.5000 0.3829 ( 3044 PWs) bands (ev): -15.8161 -15.8160 -15.8158 -15.8157 -15.8033 -15.8032 -15.8031 -15.8029 -12.7526 -12.7526 -12.7521 -12.7521 -12.7393 -12.7393 -12.7388 -12.7388 -4.9170 -4.9169 -4.9160 -4.9159 -4.8914 -4.8913 -4.8904 -4.8903 -1.7855 -1.7855 -1.7815 -1.7815 -1.7554 -1.7554 -1.7515 -1.7515 2.3096 2.3096 2.3170 2.3170 2.3598 2.3598 2.3680 2.3680 3.4362 3.4362 3.4411 3.4411 3.4749 3.4749 3.4787 3.4787 5.1756 5.1756 5.1778 5.1778 5.1907 5.1907 5.1921 5.1921 7.0545 7.0545 7.0551 7.0551 7.0560 7.0560 7.0566 7.0566 15.8944 15.8945 15.8948 15.8949 16.0206 16.0208 16.0214 16.0215 18.2619 18.2645 18.2655 18.2858 k = 0.5000 0.5000 0.3956 ( 3048 PWs) bands (ev): -15.8097 -15.8097 -15.8095 -15.8095 -15.8094 -15.8094 -15.8093 -15.8093 -12.7462 -12.7462 -12.7461 -12.7461 -12.7457 -12.7457 -12.7457 -12.7457 -4.9036 -4.9036 -4.9035 -4.9035 -4.9027 -4.9027 -4.9023 -4.9023 -1.7718 -1.7718 -1.7701 -1.7701 -1.7670 -1.7670 -1.7670 -1.7670 2.3354 2.3354 2.3354 2.3354 2.3427 2.3427 2.3437 2.3437 3.4525 3.4525 3.4576 3.4576 3.4594 3.4594 3.4594 3.4594 5.1803 5.1803 5.1837 5.1837 5.1838 5.1838 5.1838 5.1838 7.0554 7.0554 7.0554 7.0554 7.0566 7.0566 7.0571 7.0571 15.9555 15.9555 15.9574 15.9574 15.9576 15.9576 15.9607 15.9607 18.2756 18.2767 18.2773 18.2787 Writing output data file CO2.save init_run : 0.48s CPU 0.29s WALL ( 1 calls) electrons : 627.80s CPU 498.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.10s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 627.79s CPU 498.29s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.02s WALL ( 1 calls) newd : 0.03s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.39s CPU 0.53s WALL ( 370 calls) cegterg : 578.42s CPU 468.64s WALL ( 1023 calls) Called by sum_band: Called by *egterg: h_psi : 303.18s CPU 203.81s WALL ( 18829 calls) s_psi : 13.28s CPU 9.94s WALL ( 18829 calls) g_psi : 0.51s CPU 0.40s WALL ( 17436 calls) cdiaghg : 252.24s CPU 233.06s WALL ( 17806 calls) cegterg:over : 20.07s CPU 16.66s WALL ( 17436 calls) cegterg:upda : 16.16s CPU 14.18s WALL ( 17436 calls) cegterg:last : 6.76s CPU 6.41s WALL ( 2133 calls) cdiaghg:chol : 14.14s CPU 13.15s WALL ( 17806 calls) cdiaghg:inve : 10.16s CPU 9.31s WALL ( 17806 calls) cdiaghg:para : 17.02s CPU 16.07s WALL ( 35612 calls) Called by h_psi: h_psi:vloc : 267.97s CPU 176.46s WALL ( 18829 calls) h_psi:vnl : 34.54s CPU 26.88s WALL ( 18829 calls) add_vuspsi : 16.34s CPU 12.26s WALL ( 18829 calls) General routines calbec : 18.13s CPU 14.56s WALL ( 18829 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 255.83s CPU 166.90s WALL ( 1875540 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.52s CPU 1.93s WALL ( 740 calls) Parallel routines fft_scatter : 94.45s CPU 72.36s WALL ( 1875563 calls) PWSCF : 10m48.72s CPU 8m55.57s WALL This run was terminated on: 15:52:51 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=