Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 9:55 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaZrN2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 27 8 2643 1299 206 Max 44 28 9 2656 1312 213 Sum 1581 981 293 95455 46947 7523 bravais-lattice index = 14 lattice parameter (alat) = 7.8669 a.u. unit-cell volume = 982.7583 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.866873 celldm(2)= 1.000000 celldm(3)= 2.018554 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 2.018554 ) 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 0.495404 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Zr 4.00 91.22400 Zr( 1.00) N 5.00 14.00670 N( 1.00) 4 Sym. Ops., with inversion, found (note: 12 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 [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,1,0] -C2 -2 180 deg rotation - cart. axis [1,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,1,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,1,0] E Cartesian axes number of k points= 326 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0030675 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0030675 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0030675 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0030675 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0030675 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0030675 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0030675 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0030675 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0030675 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0030675 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0030675 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0030675 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0030675 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0030675 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0030675 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0030675 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0030675 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0030675 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0030675 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0030675 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0030675 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0030675 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0030675 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0030675 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0030675 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0030675 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0030675 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0030675 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0030675 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0030675 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0030675 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0030675 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0030675 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0030675 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0030675 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0030675 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0030675 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030675 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030675 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0030675 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0030675 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0030675 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0030675 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0030675 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0030675 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0030675 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0030675 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0030675 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0030675 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0030675 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0030675 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0030675 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0030675 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0030675 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0030675 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0030675 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0030675 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0030675 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0030675 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0030675 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0030675 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0030675 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0030675 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0030675 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0030675 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0030675 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0030675 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0030675 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0030675 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0030675 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0030675 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0030675 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0030675 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0030675 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0030675 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0030675 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030675 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030675 k( 80) = ( 0.4907407 0.4907407 -0.0000000), wk = 0.0030675 k( 81) = ( 0.4814815 0.4814815 -0.0000000), wk = 0.0030675 k( 82) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0030675 k( 83) = ( 0.4629630 0.4629630 -0.0000000), wk = 0.0030675 k( 84) = ( 0.4537037 0.4537037 -0.0000000), wk = 0.0030675 k( 85) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0030675 k( 86) = ( 0.4351852 0.4351852 -0.0000000), wk = 0.0030675 k( 87) = ( 0.4259259 0.4259259 -0.0000000), wk = 0.0030675 k( 88) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0030675 k( 89) = ( 0.4074074 0.4074074 -0.0000000), wk = 0.0030675 k( 90) = ( 0.3981481 0.3981481 -0.0000000), wk = 0.0030675 k( 91) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0030675 k( 92) = ( 0.3796296 0.3796296 -0.0000000), wk = 0.0030675 k( 93) = ( 0.3703704 0.3703704 -0.0000000), wk = 0.0030675 k( 94) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0030675 k( 95) = ( 0.3518519 0.3518518 -0.0000000), wk = 0.0030675 k( 96) = ( 0.3425926 0.3425926 -0.0000000), wk = 0.0030675 k( 97) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030675 k( 98) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0030675 k( 99) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0030675 k( 100) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0030675 k( 101) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0030675 k( 102) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0030675 k( 103) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0030675 k( 104) = ( 0.2685185 0.2685185 -0.0000000), wk = 0.0030675 k( 105) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0030675 k( 106) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0030675 k( 107) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0030675 k( 108) = ( 0.2314815 0.2314815 -0.0000000), wk = 0.0030675 k( 109) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0030675 k( 110) = ( 0.2129630 0.2129630 -0.0000000), wk = 0.0030675 k( 111) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0030675 k( 112) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0030675 k( 113) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0030675 k( 114) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0030675 k( 115) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030675 k( 116) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0030675 k( 117) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0030675 k( 118) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0030675 k( 119) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0030675 k( 120) = ( 0.1203704 0.1203704 -0.0000000), wk = 0.0030675 k( 121) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0030675 k( 122) = ( 0.1018518 0.1018518 -0.0000000), wk = 0.0030675 k( 123) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0030675 k( 124) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0030675 k( 125) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0030675 k( 126) = ( 0.0648148 0.0648148 -0.0000000), wk = 0.0030675 k( 127) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0030675 k( 128) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0030675 k( 129) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0030675 k( 130) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0030675 k( 131) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0030675 k( 132) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0030675 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 135) = ( 0.0000000 0.0000000 0.0130370), wk = 0.0030675 k( 136) = ( 0.0000000 0.0000000 0.0260739), wk = 0.0030675 k( 137) = ( 0.0000000 0.0000000 0.0391109), wk = 0.0030675 k( 138) = ( 0.0000000 0.0000000 0.0521478), wk = 0.0030675 k( 139) = ( 0.0000000 0.0000000 0.0651848), wk = 0.0030675 k( 140) = ( 0.0000000 0.0000000 0.0782217), wk = 0.0030675 k( 141) = ( 0.0000000 0.0000000 0.0912587), wk = 0.0030675 k( 142) = ( 0.0000000 0.0000000 0.1042956), wk = 0.0030675 k( 143) = ( 0.0000000 0.0000000 0.1173326), wk = 0.0030675 k( 144) = ( 0.0000000 0.0000000 0.1303695), wk = 0.0030675 k( 145) = ( 0.0000000 0.0000000 0.1434065), wk = 0.0030675 k( 146) = ( 0.0000000 0.0000000 0.1564434), wk = 0.0030675 k( 147) = ( 0.0000000 0.0000000 0.1694804), wk = 0.0030675 k( 148) = ( 0.0000000 0.0000000 0.1825173), wk = 0.0030675 k( 149) = ( 0.0000000 0.0000000 0.1955543), wk = 0.0030675 k( 150) = ( 0.0000000 0.0000000 0.2085912), wk = 0.0030675 k( 151) = ( 0.0000000 0.0000000 0.2216282), wk = 0.0030675 k( 152) = ( 0.0000000 0.0000000 0.2346651), wk = 0.0030675 k( 153) = ( 0.0000000 0.0000000 0.2477021), wk = 0.0030675 k( 154) = ( 0.0000000 0.0000000 0.2477021), wk = 0.0030675 k( 155) = ( 0.0000000 0.0131579 0.2477021), wk = 0.0030675 k( 156) = ( 0.0000000 0.0263158 0.2477021), wk = 0.0030675 k( 157) = ( 0.0000000 0.0394737 0.2477021), wk = 0.0030675 k( 158) = ( 0.0000000 0.0526316 0.2477021), wk = 0.0030675 k( 159) = ( 0.0000000 0.0657895 0.2477021), wk = 0.0030675 k( 160) = ( 0.0000000 0.0789474 0.2477021), wk = 0.0030675 k( 161) = ( 0.0000000 0.0921053 0.2477021), wk = 0.0030675 k( 162) = ( 0.0000000 0.1052632 0.2477021), wk = 0.0030675 k( 163) = ( 0.0000000 0.1184210 0.2477021), wk = 0.0030675 k( 164) = ( 0.0000000 0.1315790 0.2477021), wk = 0.0030675 k( 165) = ( 0.0000000 0.1447368 0.2477021), wk = 0.0030675 k( 166) = ( 0.0000000 0.1578947 0.2477021), wk = 0.0030675 k( 167) = ( 0.0000000 0.1710526 0.2477021), wk = 0.0030675 k( 168) = ( 0.0000000 0.1842105 0.2477021), wk = 0.0030675 k( 169) = ( 0.0000000 0.1973684 0.2477021), wk = 0.0030675 k( 170) = ( 0.0000000 0.2105263 0.2477021), wk = 0.0030675 k( 171) = ( 0.0000000 0.2236842 0.2477021), wk = 0.0030675 k( 172) = ( 0.0000000 0.2368421 0.2477021), wk = 0.0030675 k( 173) = ( 0.0000000 0.2500000 0.2477021), wk = 0.0030675 k( 174) = ( 0.0000000 0.2631579 0.2477021), wk = 0.0030675 k( 175) = ( 0.0000000 0.2763158 0.2477021), wk = 0.0030675 k( 176) = ( 0.0000000 0.2894737 0.2477021), wk = 0.0030675 k( 177) = ( 0.0000000 0.3026316 0.2477021), wk = 0.0030675 k( 178) = ( 0.0000000 0.3157895 0.2477021), wk = 0.0030675 k( 179) = ( 0.0000000 0.3289474 0.2477021), wk = 0.0030675 k( 180) = ( 0.0000000 0.3421053 0.2477021), wk = 0.0030675 k( 181) = ( 0.0000000 0.3552632 0.2477021), wk = 0.0030675 k( 182) = ( 0.0000000 0.3684211 0.2477021), wk = 0.0030675 k( 183) = ( 0.0000000 0.3815789 0.2477021), wk = 0.0030675 k( 184) = ( 0.0000000 0.3947368 0.2477021), wk = 0.0030675 k( 185) = ( 0.0000000 0.4078947 0.2477021), wk = 0.0030675 k( 186) = ( 0.0000000 0.4210526 0.2477021), wk = 0.0030675 k( 187) = ( 0.0000000 0.4342105 0.2477021), wk = 0.0030675 k( 188) = ( 0.0000000 0.4473684 0.2477021), wk = 0.0030675 k( 189) = ( 0.0000000 0.4605263 0.2477021), wk = 0.0030675 k( 190) = ( 0.0000000 0.4736842 0.2477021), wk = 0.0030675 k( 191) = ( 0.0000000 0.4868421 0.2477021), wk = 0.0030675 k( 192) = ( 0.0000000 0.5000000 0.2477021), wk = 0.0030675 k( 193) = ( 0.0000000 0.5000000 0.2477021), wk = 0.0030675 k( 194) = ( 0.0131579 0.5000000 0.2477021), wk = 0.0030675 k( 195) = ( 0.0263158 0.5000000 0.2477021), wk = 0.0030675 k( 196) = ( 0.0394737 0.5000000 0.2477021), wk = 0.0030675 k( 197) = ( 0.0526316 0.5000000 0.2477021), wk = 0.0030675 k( 198) = ( 0.0657895 0.5000000 0.2477021), wk = 0.0030675 k( 199) = ( 0.0789474 0.5000000 0.2477021), wk = 0.0030675 k( 200) = ( 0.0921053 0.5000000 0.2477021), wk = 0.0030675 k( 201) = ( 0.1052632 0.5000000 0.2477021), wk = 0.0030675 k( 202) = ( 0.1184210 0.5000000 0.2477021), wk = 0.0030675 k( 203) = ( 0.1315790 0.5000000 0.2477021), wk = 0.0030675 k( 204) = ( 0.1447368 0.5000000 0.2477021), wk = 0.0030675 k( 205) = ( 0.1578947 0.5000000 0.2477021), wk = 0.0030675 k( 206) = ( 0.1710526 0.5000000 0.2477021), wk = 0.0030675 k( 207) = ( 0.1842105 0.5000000 0.2477021), wk = 0.0030675 k( 208) = ( 0.1973684 0.5000000 0.2477021), wk = 0.0030675 k( 209) = ( 0.2105263 0.5000000 0.2477021), wk = 0.0030675 k( 210) = ( 0.2236842 0.5000000 0.2477021), wk = 0.0030675 k( 211) = ( 0.2368421 0.5000000 0.2477021), wk = 0.0030675 k( 212) = ( 0.2500000 0.5000000 0.2477021), wk = 0.0030675 k( 213) = ( 0.2631579 0.5000000 0.2477021), wk = 0.0030675 k( 214) = ( 0.2763158 0.5000000 0.2477021), wk = 0.0030675 k( 215) = ( 0.2894737 0.5000000 0.2477021), wk = 0.0030675 k( 216) = ( 0.3026316 0.5000000 0.2477021), wk = 0.0030675 k( 217) = ( 0.3157895 0.5000000 0.2477021), wk = 0.0030675 k( 218) = ( 0.3289474 0.5000000 0.2477021), wk = 0.0030675 k( 219) = ( 0.3421053 0.5000000 0.2477021), wk = 0.0030675 k( 220) = ( 0.3552632 0.5000000 0.2477021), wk = 0.0030675 k( 221) = ( 0.3684211 0.5000000 0.2477021), wk = 0.0030675 k( 222) = ( 0.3815789 0.5000000 0.2477021), wk = 0.0030675 k( 223) = ( 0.3947368 0.5000000 0.2477021), wk = 0.0030675 k( 224) = ( 0.4078947 0.5000000 0.2477021), wk = 0.0030675 k( 225) = ( 0.4210526 0.5000000 0.2477021), wk = 0.0030675 k( 226) = ( 0.4342105 0.5000000 0.2477021), wk = 0.0030675 k( 227) = ( 0.4473684 0.5000000 0.2477021), wk = 0.0030675 k( 228) = ( 0.4605263 0.5000000 0.2477021), wk = 0.0030675 k( 229) = ( 0.4736842 0.5000000 0.2477021), wk = 0.0030675 k( 230) = ( 0.4868421 0.5000000 0.2477021), wk = 0.0030675 k( 231) = ( 0.5000000 0.5000000 0.2477021), wk = 0.0030675 k( 232) = ( 0.5000000 0.5000000 0.2477021), wk = 0.0030675 k( 233) = ( 0.4907407 0.4907407 0.2477021), wk = 0.0030675 k( 234) = ( 0.4814815 0.4814815 0.2477021), wk = 0.0030675 k( 235) = ( 0.4722222 0.4722222 0.2477021), wk = 0.0030675 k( 236) = ( 0.4629630 0.4629630 0.2477021), wk = 0.0030675 k( 237) = ( 0.4537037 0.4537037 0.2477021), wk = 0.0030675 k( 238) = ( 0.4444444 0.4444444 0.2477021), wk = 0.0030675 k( 239) = ( 0.4351852 0.4351852 0.2477021), wk = 0.0030675 k( 240) = ( 0.4259259 0.4259259 0.2477021), wk = 0.0030675 k( 241) = ( 0.4166667 0.4166667 0.2477021), wk = 0.0030675 k( 242) = ( 0.4074074 0.4074074 0.2477021), wk = 0.0030675 k( 243) = ( 0.3981481 0.3981481 0.2477021), wk = 0.0030675 k( 244) = ( 0.3888889 0.3888889 0.2477021), wk = 0.0030675 k( 245) = ( 0.3796296 0.3796296 0.2477021), wk = 0.0030675 k( 246) = ( 0.3703704 0.3703704 0.2477021), wk = 0.0030675 k( 247) = ( 0.3611111 0.3611111 0.2477021), wk = 0.0030675 k( 248) = ( 0.3518519 0.3518518 0.2477021), wk = 0.0030675 k( 249) = ( 0.3425926 0.3425926 0.2477021), wk = 0.0030675 k( 250) = ( 0.3333333 0.3333333 0.2477021), wk = 0.0030675 k( 251) = ( 0.3240741 0.3240741 0.2477021), wk = 0.0030675 k( 252) = ( 0.3148148 0.3148148 0.2477021), wk = 0.0030675 k( 253) = ( 0.3055556 0.3055556 0.2477021), wk = 0.0030675 k( 254) = ( 0.2962963 0.2962963 0.2477021), wk = 0.0030675 k( 255) = ( 0.2870370 0.2870370 0.2477021), wk = 0.0030675 k( 256) = ( 0.2777778 0.2777778 0.2477021), wk = 0.0030675 k( 257) = ( 0.2685185 0.2685185 0.2477021), wk = 0.0030675 k( 258) = ( 0.2592593 0.2592593 0.2477021), wk = 0.0030675 k( 259) = ( 0.2500000 0.2500000 0.2477021), wk = 0.0030675 k( 260) = ( 0.2407407 0.2407407 0.2477021), wk = 0.0030675 k( 261) = ( 0.2314815 0.2314815 0.2477021), wk = 0.0030675 k( 262) = ( 0.2222222 0.2222222 0.2477021), wk = 0.0030675 k( 263) = ( 0.2129630 0.2129630 0.2477021), wk = 0.0030675 k( 264) = ( 0.2037037 0.2037037 0.2477021), wk = 0.0030675 k( 265) = ( 0.1944444 0.1944444 0.2477021), wk = 0.0030675 k( 266) = ( 0.1851852 0.1851852 0.2477021), wk = 0.0030675 k( 267) = ( 0.1759259 0.1759259 0.2477021), wk = 0.0030675 k( 268) = ( 0.1666667 0.1666667 0.2477021), wk = 0.0030675 k( 269) = ( 0.1574074 0.1574074 0.2477021), wk = 0.0030675 k( 270) = ( 0.1481482 0.1481481 0.2477021), wk = 0.0030675 k( 271) = ( 0.1388889 0.1388889 0.2477021), wk = 0.0030675 k( 272) = ( 0.1296296 0.1296296 0.2477021), wk = 0.0030675 k( 273) = ( 0.1203704 0.1203704 0.2477021), wk = 0.0030675 k( 274) = ( 0.1111111 0.1111111 0.2477021), wk = 0.0030675 k( 275) = ( 0.1018518 0.1018518 0.2477021), wk = 0.0030675 k( 276) = ( 0.0925926 0.0925926 0.2477021), wk = 0.0030675 k( 277) = ( 0.0833333 0.0833333 0.2477021), wk = 0.0030675 k( 278) = ( 0.0740741 0.0740741 0.2477021), wk = 0.0030675 k( 279) = ( 0.0648148 0.0648148 0.2477021), wk = 0.0030675 k( 280) = ( 0.0555556 0.0555556 0.2477021), wk = 0.0030675 k( 281) = ( 0.0462963 0.0462963 0.2477021), wk = 0.0030675 k( 282) = ( 0.0370370 0.0370370 0.2477021), wk = 0.0030675 k( 283) = ( 0.0277778 0.0277778 0.2477021), wk = 0.0030675 k( 284) = ( 0.0185185 0.0185185 0.2477021), wk = 0.0030675 k( 285) = ( 0.0092593 0.0092593 0.2477021), wk = 0.0030675 k( 286) = ( 0.0000000 0.0000000 0.2477021), wk = 0.0030675 k( 287) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030675 k( 288) = ( 0.0000000 0.5000000 0.0130370), wk = 0.0030675 k( 289) = ( 0.0000000 0.5000000 0.0260739), wk = 0.0030675 k( 290) = ( 0.0000000 0.5000000 0.0391109), wk = 0.0030675 k( 291) = ( 0.0000000 0.5000000 0.0521478), wk = 0.0030675 k( 292) = ( 0.0000000 0.5000000 0.0651848), wk = 0.0030675 k( 293) = ( 0.0000000 0.5000000 0.0782217), wk = 0.0030675 k( 294) = ( 0.0000000 0.5000000 0.0912587), wk = 0.0030675 k( 295) = ( 0.0000000 0.5000000 0.1042956), wk = 0.0030675 k( 296) = ( 0.0000000 0.5000000 0.1173326), wk = 0.0030675 k( 297) = ( 0.0000000 0.5000000 0.1303695), wk = 0.0030675 k( 298) = ( 0.0000000 0.5000000 0.1434065), wk = 0.0030675 k( 299) = ( 0.0000000 0.5000000 0.1564434), wk = 0.0030675 k( 300) = ( 0.0000000 0.5000000 0.1694804), wk = 0.0030675 k( 301) = ( 0.0000000 0.5000000 0.1825173), wk = 0.0030675 k( 302) = ( 0.0000000 0.5000000 0.1955543), wk = 0.0030675 k( 303) = ( 0.0000000 0.5000000 0.2085912), wk = 0.0030675 k( 304) = ( 0.0000000 0.5000000 0.2216282), wk = 0.0030675 k( 305) = ( 0.0000000 0.5000000 0.2346651), wk = 0.0030675 k( 306) = ( 0.0000000 0.5000000 0.2477021), wk = 0.0030675 k( 307) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030675 k( 308) = ( 0.5000000 0.5000000 0.0130370), wk = 0.0030675 k( 309) = ( 0.5000000 0.5000000 0.0260739), wk = 0.0030675 k( 310) = ( 0.5000000 0.5000000 0.0391109), wk = 0.0030675 k( 311) = ( 0.5000000 0.5000000 0.0521478), wk = 0.0030675 k( 312) = ( 0.5000000 0.5000000 0.0651848), wk = 0.0030675 k( 313) = ( 0.5000000 0.5000000 0.0782217), wk = 0.0030675 k( 314) = ( 0.5000000 0.5000000 0.0912587), wk = 0.0030675 k( 315) = ( 0.5000000 0.5000000 0.1042956), wk = 0.0030675 k( 316) = ( 0.5000000 0.5000000 0.1173326), wk = 0.0030675 k( 317) = ( 0.5000000 0.5000000 0.1303695), wk = 0.0030675 k( 318) = ( 0.5000000 0.5000000 0.1434065), wk = 0.0030675 k( 319) = ( 0.5000000 0.5000000 0.1564434), wk = 0.0030675 k( 320) = ( 0.5000000 0.5000000 0.1694804), wk = 0.0030675 k( 321) = ( 0.5000000 0.5000000 0.1825173), wk = 0.0030675 k( 322) = ( 0.5000000 0.5000000 0.1955543), wk = 0.0030675 k( 323) = ( 0.5000000 0.5000000 0.2085912), wk = 0.0030675 k( 324) = ( 0.5000000 0.5000000 0.2216282), wk = 0.0030675 k( 325) = ( 0.5000000 0.5000000 0.2346651), wk = 0.0030675 k( 326) = ( 0.5000000 0.5000000 0.2477021), wk = 0.0030675 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0030675 k( 3) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0030675 k( 4) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0030675 k( 5) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0030675 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0030675 k( 7) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0030675 k( 8) = ( 0.0000000 0.0921053 0.0000000), wk = 0.0030675 k( 9) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0030675 k( 10) = ( 0.0000000 0.1184210 0.0000000), wk = 0.0030675 k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0030675 k( 12) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0030675 k( 13) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0030675 k( 14) = ( 0.0000000 0.1710526 0.0000000), wk = 0.0030675 k( 15) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0030675 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0030675 k( 17) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0030675 k( 18) = ( 0.0000000 0.2236842 0.0000000), wk = 0.0030675 k( 19) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0030675 k( 20) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0030675 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0030675 k( 22) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0030675 k( 23) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0030675 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0030675 k( 25) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0030675 k( 26) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0030675 k( 27) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0030675 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0030675 k( 29) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0030675 k( 30) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0030675 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0030675 k( 32) = ( 0.0000000 0.4078947 0.0000000), wk = 0.0030675 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0030675 k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0030675 k( 35) = ( 0.0000000 0.4473684 0.0000000), wk = 0.0030675 k( 36) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0030675 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0030675 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0030675 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030675 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030675 k( 41) = ( 0.0131579 0.5000000 0.0000000), wk = 0.0030675 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0030675 k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0030675 k( 44) = ( 0.0526316 0.5000000 0.0000000), wk = 0.0030675 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0030675 k( 46) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0030675 k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0030675 k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0030675 k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0030675 k( 50) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0030675 k( 51) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0030675 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0030675 k( 53) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0030675 k( 54) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0030675 k( 55) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0030675 k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0030675 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0030675 k( 58) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0030675 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0030675 k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0030675 k( 61) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0030675 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0030675 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0030675 k( 64) = ( 0.3157895 0.5000000 0.0000000), wk = 0.0030675 k( 65) = ( 0.3289474 0.5000000 0.0000000), wk = 0.0030675 k( 66) = ( 0.3421053 0.5000000 0.0000000), wk = 0.0030675 k( 67) = ( 0.3552632 0.5000000 0.0000000), wk = 0.0030675 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0030675 k( 69) = ( 0.3815789 0.5000000 0.0000000), wk = 0.0030675 k( 70) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0030675 k( 71) = ( 0.4078947 0.5000000 0.0000000), wk = 0.0030675 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0030675 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0030675 k( 74) = ( 0.4473684 0.5000000 0.0000000), wk = 0.0030675 k( 75) = ( 0.4605263 0.5000000 0.0000000), wk = 0.0030675 k( 76) = ( 0.4736842 0.5000000 0.0000000), wk = 0.0030675 k( 77) = ( 0.4868421 0.5000000 0.0000000), wk = 0.0030675 k( 78) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030675 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030675 k( 80) = ( 0.4907407 0.4907407 0.0000000), wk = 0.0030675 k( 81) = ( 0.4814815 0.4814815 0.0000000), wk = 0.0030675 k( 82) = ( 0.4722222 0.4722222 0.0000000), wk = 0.0030675 k( 83) = ( 0.4629630 0.4629630 0.0000000), wk = 0.0030675 k( 84) = ( 0.4537037 0.4537037 0.0000000), wk = 0.0030675 k( 85) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0030675 k( 86) = ( 0.4351852 0.4351852 -0.0000000), wk = 0.0030675 k( 87) = ( 0.4259259 0.4259259 0.0000000), wk = 0.0030675 k( 88) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0030675 k( 89) = ( 0.4074074 0.4074074 0.0000000), wk = 0.0030675 k( 90) = ( 0.3981481 0.3981481 -0.0000000), wk = 0.0030675 k( 91) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0030675 k( 92) = ( 0.3796296 0.3796296 -0.0000000), wk = 0.0030675 k( 93) = ( 0.3703704 0.3703704 0.0000000), wk = 0.0030675 k( 94) = ( 0.3611111 0.3611111 0.0000000), wk = 0.0030675 k( 95) = ( 0.3518519 0.3518519 0.0000000), wk = 0.0030675 k( 96) = ( 0.3425926 0.3425926 0.0000000), wk = 0.0030675 k( 97) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030675 k( 98) = ( 0.3240741 0.3240741 0.0000000), wk = 0.0030675 k( 99) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0030675 k( 100) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0030675 k( 101) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0030675 k( 102) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0030675 k( 103) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0030675 k( 104) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0030675 k( 105) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0030675 k( 106) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0030675 k( 107) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0030675 k( 108) = ( 0.2314815 0.2314815 0.0000000), wk = 0.0030675 k( 109) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0030675 k( 110) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0030675 k( 111) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0030675 k( 112) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0030675 k( 113) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0030675 k( 114) = ( 0.1759259 0.1759259 0.0000000), wk = 0.0030675 k( 115) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0030675 k( 116) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0030675 k( 117) = ( 0.1481482 0.1481482 -0.0000000), wk = 0.0030675 k( 118) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0030675 k( 119) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0030675 k( 120) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0030675 k( 121) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0030675 k( 122) = ( 0.1018518 0.1018518 0.0000000), wk = 0.0030675 k( 123) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0030675 k( 124) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0030675 k( 125) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0030675 k( 126) = ( 0.0648148 0.0648148 0.0000000), wk = 0.0030675 k( 127) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0030675 k( 128) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0030675 k( 129) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0030675 k( 130) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0030675 k( 131) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0030675 k( 132) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0030675 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 135) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0030675 k( 136) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0030675 k( 137) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0030675 k( 138) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0030675 k( 139) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0030675 k( 140) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0030675 k( 141) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0030675 k( 142) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0030675 k( 143) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0030675 k( 144) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0030675 k( 145) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0030675 k( 146) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0030675 k( 147) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0030675 k( 148) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0030675 k( 149) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0030675 k( 150) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0030675 k( 151) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0030675 k( 152) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0030675 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 155) = ( 0.0000000 0.0131579 0.5000000), wk = 0.0030675 k( 156) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0030675 k( 157) = ( 0.0000000 0.0394737 0.5000000), wk = 0.0030675 k( 158) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0030675 k( 159) = ( 0.0000000 0.0657895 0.5000000), wk = 0.0030675 k( 160) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0030675 k( 161) = ( 0.0000000 0.0921053 0.5000000), wk = 0.0030675 k( 162) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0030675 k( 163) = ( 0.0000000 0.1184210 0.5000000), wk = 0.0030675 k( 164) = ( 0.0000000 0.1315790 0.5000000), wk = 0.0030675 k( 165) = ( 0.0000000 0.1447368 0.5000000), wk = 0.0030675 k( 166) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0030675 k( 167) = ( 0.0000000 0.1710526 0.5000000), wk = 0.0030675 k( 168) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0030675 k( 169) = ( 0.0000000 0.1973684 0.5000000), wk = 0.0030675 k( 170) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0030675 k( 171) = ( 0.0000000 0.2236842 0.5000000), wk = 0.0030675 k( 172) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0030675 k( 173) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0030675 k( 174) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0030675 k( 175) = ( 0.0000000 0.2763158 0.5000000), wk = 0.0030675 k( 176) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0030675 k( 177) = ( 0.0000000 0.3026316 0.5000000), wk = 0.0030675 k( 178) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0030675 k( 179) = ( 0.0000000 0.3289474 0.5000000), wk = 0.0030675 k( 180) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0030675 k( 181) = ( 0.0000000 0.3552632 0.5000000), wk = 0.0030675 k( 182) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0030675 k( 183) = ( 0.0000000 0.3815789 0.5000000), wk = 0.0030675 k( 184) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0030675 k( 185) = ( 0.0000000 0.4078947 0.5000000), wk = 0.0030675 k( 186) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0030675 k( 187) = ( 0.0000000 0.4342105 0.5000000), wk = 0.0030675 k( 188) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0030675 k( 189) = ( 0.0000000 0.4605263 0.5000000), wk = 0.0030675 k( 190) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0030675 k( 191) = ( 0.0000000 0.4868421 0.5000000), wk = 0.0030675 k( 192) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030675 k( 193) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030675 k( 194) = ( 0.0131579 0.5000000 0.5000000), wk = 0.0030675 k( 195) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0030675 k( 196) = ( 0.0394737 0.5000000 0.5000000), wk = 0.0030675 k( 197) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0030675 k( 198) = ( 0.0657895 0.5000000 0.5000000), wk = 0.0030675 k( 199) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0030675 k( 200) = ( 0.0921053 0.5000000 0.5000000), wk = 0.0030675 k( 201) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0030675 k( 202) = ( 0.1184210 0.5000000 0.5000000), wk = 0.0030675 k( 203) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0030675 k( 204) = ( 0.1447368 0.5000000 0.5000000), wk = 0.0030675 k( 205) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0030675 k( 206) = ( 0.1710526 0.5000000 0.5000000), wk = 0.0030675 k( 207) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0030675 k( 208) = ( 0.1973684 0.5000000 0.5000000), wk = 0.0030675 k( 209) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0030675 k( 210) = ( 0.2236842 0.5000000 0.5000000), wk = 0.0030675 k( 211) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0030675 k( 212) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0030675 k( 213) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0030675 k( 214) = ( 0.2763158 0.5000000 0.5000000), wk = 0.0030675 k( 215) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0030675 k( 216) = ( 0.3026316 0.5000000 0.5000000), wk = 0.0030675 k( 217) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0030675 k( 218) = ( 0.3289474 0.5000000 0.5000000), wk = 0.0030675 k( 219) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0030675 k( 220) = ( 0.3552632 0.5000000 0.5000000), wk = 0.0030675 k( 221) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0030675 k( 222) = ( 0.3815789 0.5000000 0.5000000), wk = 0.0030675 k( 223) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0030675 k( 224) = ( 0.4078947 0.5000000 0.5000000), wk = 0.0030675 k( 225) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0030675 k( 226) = ( 0.4342105 0.5000000 0.5000000), wk = 0.0030675 k( 227) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0030675 k( 228) = ( 0.4605263 0.5000000 0.5000000), wk = 0.0030675 k( 229) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0030675 k( 230) = ( 0.4868421 0.5000000 0.5000000), wk = 0.0030675 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030675 k( 232) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030675 k( 233) = ( 0.4907407 0.4907407 0.5000000), wk = 0.0030675 k( 234) = ( 0.4814815 0.4814815 0.5000000), wk = 0.0030675 k( 235) = ( 0.4722222 0.4722222 0.5000000), wk = 0.0030675 k( 236) = ( 0.4629630 0.4629630 0.5000000), wk = 0.0030675 k( 237) = ( 0.4537037 0.4537037 0.5000000), wk = 0.0030675 k( 238) = ( 0.4444444 0.4444444 0.5000000), wk = 0.0030675 k( 239) = ( 0.4351852 0.4351852 0.5000000), wk = 0.0030675 k( 240) = ( 0.4259259 0.4259259 0.5000000), wk = 0.0030675 k( 241) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0030675 k( 242) = ( 0.4074074 0.4074074 0.5000000), wk = 0.0030675 k( 243) = ( 0.3981481 0.3981481 0.5000000), wk = 0.0030675 k( 244) = ( 0.3888889 0.3888889 0.5000000), wk = 0.0030675 k( 245) = ( 0.3796296 0.3796296 0.5000000), wk = 0.0030675 k( 246) = ( 0.3703704 0.3703704 0.5000000), wk = 0.0030675 k( 247) = ( 0.3611111 0.3611111 0.5000000), wk = 0.0030675 k( 248) = ( 0.3518519 0.3518519 0.5000000), wk = 0.0030675 k( 249) = ( 0.3425926 0.3425926 0.5000000), wk = 0.0030675 k( 250) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030675 k( 251) = ( 0.3240741 0.3240741 0.5000000), wk = 0.0030675 k( 252) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0030675 k( 253) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0030675 k( 254) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0030675 k( 255) = ( 0.2870370 0.2870370 0.5000000), wk = 0.0030675 k( 256) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0030675 k( 257) = ( 0.2685185 0.2685185 0.5000000), wk = 0.0030675 k( 258) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0030675 k( 259) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0030675 k( 260) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0030675 k( 261) = ( 0.2314815 0.2314815 0.5000000), wk = 0.0030675 k( 262) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0030675 k( 263) = ( 0.2129630 0.2129630 0.5000000), wk = 0.0030675 k( 264) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0030675 k( 265) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0030675 k( 266) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0030675 k( 267) = ( 0.1759259 0.1759259 0.5000000), wk = 0.0030675 k( 268) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0030675 k( 269) = ( 0.1574074 0.1574074 0.5000000), wk = 0.0030675 k( 270) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0030675 k( 271) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0030675 k( 272) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0030675 k( 273) = ( 0.1203704 0.1203704 0.5000000), wk = 0.0030675 k( 274) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0030675 k( 275) = ( 0.1018518 0.1018518 0.5000000), wk = 0.0030675 k( 276) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0030675 k( 277) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0030675 k( 278) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0030675 k( 279) = ( 0.0648148 0.0648148 0.5000000), wk = 0.0030675 k( 280) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0030675 k( 281) = ( 0.0462963 0.0462963 0.5000000), wk = 0.0030675 k( 282) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0030675 k( 283) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0030675 k( 284) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0030675 k( 285) = ( 0.0092593 0.0092593 0.5000000), wk = 0.0030675 k( 286) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 287) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030675 k( 288) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0030675 k( 289) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0030675 k( 290) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0030675 k( 291) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0030675 k( 292) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0030675 k( 293) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0030675 k( 294) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0030675 k( 295) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0030675 k( 296) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0030675 k( 297) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0030675 k( 298) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0030675 k( 299) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0030675 k( 300) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0030675 k( 301) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0030675 k( 302) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0030675 k( 303) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0030675 k( 304) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0030675 k( 305) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0030675 k( 306) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030675 k( 307) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030675 k( 308) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0030675 k( 309) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0030675 k( 310) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0030675 k( 311) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0030675 k( 312) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0030675 k( 313) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0030675 k( 314) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0030675 k( 315) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0030675 k( 316) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0030675 k( 317) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0030675 k( 318) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0030675 k( 319) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0030675 k( 320) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0030675 k( 321) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0030675 k( 322) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0030675 k( 323) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0030675 k( 324) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0030675 k( 325) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0030675 k( 326) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030675 Dense grid: 95455 G-vectors FFT dimensions: ( 45, 45, 96) Smooth grid: 46947 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 348, 58) NL pseudopotentials 0.42 Mb ( 174, 158) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2656) G-vector shells 0.01 Mb ( 1281) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.23 Mb ( 348, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.28 Mb ( 158, 2, 58) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./BaZrN2.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 6.4 secs Computing kpt #: 5 total cpu time spent up to now is 7.7 secs Computing kpt #: 6 total cpu time spent up to now is 9.1 secs Computing kpt #: 7 total cpu time spent up to now is 10.4 secs Computing kpt #: 8 total cpu time spent up to now is 11.5 secs Computing kpt #: 9 total cpu time spent up to now is 12.6 secs Computing kpt #: 10 total cpu time spent up to now is 13.6 secs Computing kpt #: 11 total cpu time spent up to now is 14.6 secs Computing kpt #: 12 total cpu time spent up to now is 15.6 secs Computing kpt #: 13 total cpu time spent up to now is 16.6 secs Computing kpt #: 14 total cpu time spent up to now is 17.6 secs Computing kpt #: 15 total cpu time spent up to now is 18.5 secs Computing kpt #: 16 total cpu time spent up to now is 19.2 secs Computing kpt #: 17 total cpu time spent up to now is 20.0 secs Computing kpt #: 18 total cpu time spent up to now is 20.8 secs Computing kpt #: 19 total cpu time spent up to now is 21.5 secs Computing kpt #: 20 total cpu time spent up to now is 22.2 secs Computing kpt #: 21 total cpu time spent up to now is 23.0 secs Computing kpt #: 22 total cpu time spent up to now is 23.8 secs Computing kpt #: 23 total cpu time spent up to now is 24.6 secs Computing kpt #: 24 total cpu time spent up to now is 25.4 secs Computing kpt #: 25 total cpu time spent up to now is 26.3 secs Computing kpt #: 26 total cpu time spent up to now is 27.3 secs Computing kpt #: 27 total cpu time spent up to now is 28.3 secs Computing kpt #: 28 total cpu time spent up to now is 29.4 secs Computing kpt #: 29 total cpu time spent up to now is 30.4 secs Computing kpt #: 30 total cpu time spent up to now is 31.4 secs Computing kpt #: 31 total cpu time spent up to now is 32.5 secs Computing kpt #: 32 total cpu time spent up to now is 33.5 secs Computing kpt #: 33 total cpu time spent up to now is 34.6 secs Computing kpt #: 34 total cpu time spent up to now is 35.7 secs Computing kpt #: 35 total cpu time spent up to now is 36.9 secs Computing kpt #: 36 total cpu time spent up to now is 38.0 secs Computing kpt #: 37 total cpu time spent up to now is 39.1 secs Computing kpt #: 38 total cpu time spent up to now is 40.3 secs Computing kpt #: 39 total cpu time spent up to now is 41.3 secs Computing kpt #: 40 total cpu time spent up to now is 42.3 secs Computing kpt #: 41 total cpu time spent up to now is 43.3 secs Computing kpt #: 42 total cpu time spent up to now is 44.3 secs Computing kpt #: 43 total cpu time spent up to now is 45.4 secs Computing kpt #: 44 total cpu time spent up to now is 46.5 secs Computing kpt #: 45 total cpu time spent up to now is 47.5 secs Computing kpt #: 46 total cpu time spent up to now is 48.6 secs Computing kpt #: 47 total cpu time spent up to now is 49.7 secs Computing kpt #: 48 total cpu time spent up to now is 50.8 secs Computing kpt #: 49 total cpu time spent up to now is 51.9 secs Computing kpt #: 50 total cpu time spent up to now is 53.0 secs Computing kpt #: 51 total cpu time spent up to now is 54.1 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 55.9 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 57.7 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 59.4 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.1 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 62.9 secs Computing kpt #: 57 total cpu time spent up to now is 64.3 secs Computing kpt #: 58 total cpu time spent up to now is 65.8 secs Computing kpt #: 59 total cpu time spent up to now is 67.2 secs Computing kpt #: 60 total cpu time spent up to now is 68.6 secs Computing kpt #: 61 total cpu time spent up to now is 70.0 secs Computing kpt #: 62 total cpu time spent up to now is 71.3 secs Computing kpt #: 63 total cpu time spent up to now is 72.7 secs Computing kpt #: 64 total cpu time spent up to now is 74.1 secs Computing kpt #: 65 total cpu time spent up to now is 75.7 secs Computing kpt #: 66 total cpu time spent up to now is 77.1 secs Computing kpt #: 67 total cpu time spent up to now is 78.6 secs Computing kpt #: 68 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 80.3 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.0 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 83.7 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 85.5 secs Computing kpt #: 72 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.1 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.8 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 90.6 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.3 secs Computing kpt #: 76 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 94.0 secs Computing kpt #: 77 total cpu time spent up to now is 94.6 secs Computing kpt #: 78 total cpu time spent up to now is 95.2 secs Computing kpt #: 79 total cpu time spent up to now is 95.7 secs Computing kpt #: 80 total cpu time spent up to now is 96.8 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 98.6 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.3 secs Computing kpt #: 83 total cpu time spent up to now is 101.2 secs Computing kpt #: 84 total cpu time spent up to now is 102.1 secs Computing kpt #: 85 total cpu time spent up to now is 103.0 secs Computing kpt #: 86 total cpu time spent up to now is 103.8 secs Computing kpt #: 87 total cpu time spent up to now is 104.7 secs Computing kpt #: 88 total cpu time spent up to now is 105.6 secs Computing kpt #: 89 total cpu time spent up to now is 106.5 secs Computing kpt #: 90 total cpu time spent up to now is 107.2 secs Computing kpt #: 91 total cpu time spent up to now is 107.9 secs Computing kpt #: 92 total cpu time spent up to now is 108.6 secs Computing kpt #: 93 total cpu time spent up to now is 109.4 secs Computing kpt #: 94 total cpu time spent up to now is 110.1 secs Computing kpt #: 95 total cpu time spent up to now is 110.8 secs Computing kpt #: 96 total cpu time spent up to now is 111.4 secs Computing kpt #: 97 total cpu time spent up to now is 112.1 secs Computing kpt #: 98 total cpu time spent up to now is 112.8 secs Computing kpt #: 99 total cpu time spent up to now is 113.5 secs Computing kpt #: 100 total cpu time spent up to now is 114.2 secs Computing kpt #: 101 total cpu time spent up to now is 115.0 secs Computing kpt #: 102 total cpu time spent up to now is 115.8 secs Computing kpt #: 103 total cpu time spent up to now is 116.7 secs Computing kpt #: 104 total cpu time spent up to now is 117.7 secs Computing kpt #: 105 total cpu time spent up to now is 118.7 secs Computing kpt #: 106 total cpu time spent up to now is 119.7 secs Computing kpt #: 107 total cpu time spent up to now is 120.7 secs Computing kpt #: 108 total cpu time spent up to now is 121.8 secs Computing kpt #: 109 total cpu time spent up to now is 122.8 secs Computing kpt #: 110 total cpu time spent up to now is 123.8 secs Computing kpt #: 111 total cpu time spent up to now is 124.8 secs Computing kpt #: 112 total cpu time spent up to now is 125.7 secs Computing kpt #: 113 total cpu time spent up to now is 126.6 secs Computing kpt #: 114 total cpu time spent up to now is 127.4 secs Computing kpt #: 115 total cpu time spent up to now is 128.3 secs Computing kpt #: 116 total cpu time spent up to now is 129.2 secs Computing kpt #: 117 total cpu time spent up to now is 130.1 secs Computing kpt #: 118 total cpu time spent up to now is 131.0 secs Computing kpt #: 119 total cpu time spent up to now is 131.9 secs Computing kpt #: 120 total cpu time spent up to now is 132.8 secs Computing kpt #: 121 total cpu time spent up to now is 133.8 secs Computing kpt #: 122 total cpu time spent up to now is 134.7 secs Computing kpt #: 123 total cpu time spent up to now is 135.6 secs Computing kpt #: 124 total cpu time spent up to now is 136.6 secs Computing kpt #: 125 total cpu time spent up to now is 137.6 secs Computing kpt #: 126 total cpu time spent up to now is 138.8 secs Computing kpt #: 127 total cpu time spent up to now is 140.3 secs Computing kpt #: 128 total cpu time spent up to now is 141.5 secs Computing kpt #: 129 total cpu time spent up to now is 142.8 secs Computing kpt #: 130 total cpu time spent up to now is 143.9 secs Computing kpt #: 131 total cpu time spent up to now is 144.9 secs Computing kpt #: 132 total cpu time spent up to now is 146.0 secs Computing kpt #: 133 total cpu time spent up to now is 147.1 secs Computing kpt #: 134 total cpu time spent up to now is 148.0 secs Computing kpt #: 135 total cpu time spent up to now is 149.1 secs Computing kpt #: 136 total cpu time spent up to now is 150.4 secs Computing kpt #: 137 total cpu time spent up to now is 151.5 secs Computing kpt #: 138 total cpu time spent up to now is 152.6 secs Computing kpt #: 139 total cpu time spent up to now is 153.6 secs Computing kpt #: 140 total cpu time spent up to now is 154.7 secs Computing kpt #: 141 total cpu time spent up to now is 155.7 secs Computing kpt #: 142 total cpu time spent up to now is 156.7 secs Computing kpt #: 143 total cpu time spent up to now is 157.8 secs Computing kpt #: 144 total cpu time spent up to now is 158.7 secs Computing kpt #: 145 total cpu time spent up to now is 159.7 secs Computing kpt #: 146 total cpu time spent up to now is 160.6 secs Computing kpt #: 147 total cpu time spent up to now is 161.6 secs Computing kpt #: 148 total cpu time spent up to now is 162.6 secs Computing kpt #: 149 total cpu time spent up to now is 163.9 secs Computing kpt #: 150 total cpu time spent up to now is 165.0 secs Computing kpt #: 151 total cpu time spent up to now is 165.9 secs Computing kpt #: 152 total cpu time spent up to now is 166.9 secs Computing kpt #: 153 total cpu time spent up to now is 167.8 secs Computing kpt #: 154 total cpu time spent up to now is 168.6 secs Computing kpt #: 155 total cpu time spent up to now is 169.6 secs Computing kpt #: 156 total cpu time spent up to now is 170.5 secs Computing kpt #: 157 total cpu time spent up to now is 171.5 secs Computing kpt #: 158 total cpu time spent up to now is 172.4 secs Computing kpt #: 159 total cpu time spent up to now is 173.4 secs Computing kpt #: 160 total cpu time spent up to now is 174.4 secs Computing kpt #: 161 total cpu time spent up to now is 175.4 secs Computing kpt #: 162 total cpu time spent up to now is 176.4 secs Computing kpt #: 163 total cpu time spent up to now is 177.4 secs Computing kpt #: 164 total cpu time spent up to now is 178.3 secs Computing kpt #: 165 total cpu time spent up to now is 179.3 secs Computing kpt #: 166 total cpu time spent up to now is 180.3 secs Computing kpt #: 167 total cpu time spent up to now is 181.4 secs Computing kpt #: 168 total cpu time spent up to now is 182.4 secs Computing kpt #: 169 total cpu time spent up to now is 183.6 secs Computing kpt #: 170 total cpu time spent up to now is 184.8 secs Computing kpt #: 171 total cpu time spent up to now is 186.0 secs Computing kpt #: 172 total cpu time spent up to now is 187.5 secs Computing kpt #: 173 total cpu time spent up to now is 188.8 secs Computing kpt #: 174 total cpu time spent up to now is 190.0 secs Computing kpt #: 175 total cpu time spent up to now is 191.0 secs Computing kpt #: 176 total cpu time spent up to now is 192.0 secs Computing kpt #: 177 total cpu time spent up to now is 192.9 secs Computing kpt #: 178 total cpu time spent up to now is 193.9 secs Computing kpt #: 179 total cpu time spent up to now is 194.9 secs Computing kpt #: 180 total cpu time spent up to now is 195.8 secs Computing kpt #: 181 total cpu time spent up to now is 196.9 secs Computing kpt #: 182 total cpu time spent up to now is 197.9 secs Computing kpt #: 183 total cpu time spent up to now is 198.9 secs Computing kpt #: 184 total cpu time spent up to now is 200.2 secs Computing kpt #: 185 total cpu time spent up to now is 201.5 secs Computing kpt #: 186 total cpu time spent up to now is 202.8 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 204.6 secs Computing kpt #: 188 total cpu time spent up to now is 206.0 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.8 secs Computing kpt #: 190 total cpu time spent up to now is 209.3 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 211.1 secs Computing kpt #: 192 total cpu time spent up to now is 211.9 secs Computing kpt #: 193 total cpu time spent up to now is 212.8 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 214.6 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 216.4 secs Computing kpt #: 196 total cpu time spent up to now is 218.0 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 219.7 secs Computing kpt #: 198 total cpu time spent up to now is 221.3 secs Computing kpt #: 199 total cpu time spent up to now is 222.7 secs Computing kpt #: 200 total cpu time spent up to now is 224.2 secs Computing kpt #: 201 total cpu time spent up to now is 225.9 secs Computing kpt #: 202 total cpu time spent up to now is 227.3 secs Computing kpt #: 203 total cpu time spent up to now is 228.7 secs Computing kpt #: 204 total cpu time spent up to now is 229.9 secs Computing kpt #: 205 total cpu time spent up to now is 231.0 secs Computing kpt #: 206 total cpu time spent up to now is 232.1 secs Computing kpt #: 207 total cpu time spent up to now is 233.2 secs Computing kpt #: 208 total cpu time spent up to now is 234.3 secs Computing kpt #: 209 total cpu time spent up to now is 235.4 secs Computing kpt #: 210 total cpu time spent up to now is 236.5 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 238.3 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 240.1 secs Computing kpt #: 213 total cpu time spent up to now is 241.2 secs Computing kpt #: 214 total cpu time spent up to now is 242.3 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 244.0 secs Computing kpt #: 216 total cpu time spent up to now is 244.7 secs Computing kpt #: 217 total cpu time spent up to now is 245.4 secs Computing kpt #: 218 total cpu time spent up to now is 246.2 secs Computing kpt #: 219 total cpu time spent up to now is 246.9 secs Computing kpt #: 220 total cpu time spent up to now is 247.9 secs Computing kpt #: 221 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 249.6 secs Computing kpt #: 222 total cpu time spent up to now is 250.6 secs Computing kpt #: 223 total cpu time spent up to now is 251.6 secs Computing kpt #: 224 total cpu time spent up to now is 253.1 secs Computing kpt #: 225 total cpu time spent up to now is 253.8 secs Computing kpt #: 226 total cpu time spent up to now is 254.5 secs Computing kpt #: 227 total cpu time spent up to now is 255.2 secs Computing kpt #: 228 total cpu time spent up to now is 255.9 secs Computing kpt #: 229 total cpu time spent up to now is 256.6 secs Computing kpt #: 230 total cpu time spent up to now is 257.3 secs Computing kpt #: 231 total cpu time spent up to now is 258.0 secs Computing kpt #: 232 total cpu time spent up to now is 258.7 secs Computing kpt #: 233 total cpu time spent up to now is 259.3 secs Computing kpt #: 234 total cpu time spent up to now is 260.4 secs Computing kpt #: 235 total cpu time spent up to now is 261.4 secs Computing kpt #: 236 total cpu time spent up to now is 262.6 secs Computing kpt #: 237 total cpu time spent up to now is 263.6 secs Computing kpt #: 238 total cpu time spent up to now is 264.5 secs Computing kpt #: 239 total cpu time spent up to now is 265.5 secs Computing kpt #: 240 total cpu time spent up to now is 266.5 secs Computing kpt #: 241 total cpu time spent up to now is 267.5 secs Computing kpt #: 242 total cpu time spent up to now is 268.5 secs Computing kpt #: 243 total cpu time spent up to now is 269.5 secs Computing kpt #: 244 total cpu time spent up to now is 270.5 secs Computing kpt #: 245 total cpu time spent up to now is 271.5 secs Computing kpt #: 246 total cpu time spent up to now is 272.5 secs Computing kpt #: 247 total cpu time spent up to now is 273.5 secs Computing kpt #: 248 total cpu time spent up to now is 274.5 secs Computing kpt #: 249 total cpu time spent up to now is 275.4 secs Computing kpt #: 250 total cpu time spent up to now is 276.4 secs Computing kpt #: 251 total cpu time spent up to now is 277.4 secs Computing kpt #: 252 total cpu time spent up to now is 278.5 secs Computing kpt #: 253 total cpu time spent up to now is 279.6 secs Computing kpt #: 254 total cpu time spent up to now is 280.7 secs Computing kpt #: 255 total cpu time spent up to now is 281.8 secs Computing kpt #: 256 total cpu time spent up to now is 282.8 secs Computing kpt #: 257 total cpu time spent up to now is 283.7 secs Computing kpt #: 258 total cpu time spent up to now is 284.6 secs Computing kpt #: 259 total cpu time spent up to now is 285.5 secs Computing kpt #: 260 total cpu time spent up to now is 286.5 secs Computing kpt #: 261 total cpu time spent up to now is 287.7 secs Computing kpt #: 262 total cpu time spent up to now is 288.6 secs Computing kpt #: 263 total cpu time spent up to now is 289.5 secs Computing kpt #: 264 total cpu time spent up to now is 290.2 secs Computing kpt #: 265 total cpu time spent up to now is 291.0 secs Computing kpt #: 266 total cpu time spent up to now is 291.8 secs Computing kpt #: 267 total cpu time spent up to now is 292.6 secs Computing kpt #: 268 total cpu time spent up to now is 293.6 secs Computing kpt #: 269 total cpu time spent up to now is 294.6 secs Computing kpt #: 270 total cpu time spent up to now is 295.7 secs Computing kpt #: 271 total cpu time spent up to now is 296.7 secs Computing kpt #: 272 total cpu time spent up to now is 297.5 secs Computing kpt #: 273 total cpu time spent up to now is 298.5 secs Computing kpt #: 274 total cpu time spent up to now is 299.3 secs Computing kpt #: 275 total cpu time spent up to now is 300.1 secs Computing kpt #: 276 total cpu time spent up to now is 300.9 secs Computing kpt #: 277 total cpu time spent up to now is 301.7 secs Computing kpt #: 278 total cpu time spent up to now is 302.5 secs Computing kpt #: 279 total cpu time spent up to now is 303.3 secs Computing kpt #: 280 total cpu time spent up to now is 304.1 secs Computing kpt #: 281 total cpu time spent up to now is 305.0 secs Computing kpt #: 282 total cpu time spent up to now is 305.9 secs Computing kpt #: 283 total cpu time spent up to now is 306.8 secs Computing kpt #: 284 total cpu time spent up to now is 307.8 secs Computing kpt #: 285 total cpu time spent up to now is 308.7 secs Computing kpt #: 286 total cpu time spent up to now is 309.7 secs Computing kpt #: 287 total cpu time spent up to now is 310.6 secs Computing kpt #: 288 total cpu time spent up to now is 311.6 secs Computing kpt #: 289 total cpu time spent up to now is 312.6 secs Computing kpt #: 290 total cpu time spent up to now is 313.6 secs Computing kpt #: 291 total cpu time spent up to now is 314.5 secs Computing kpt #: 292 total cpu time spent up to now is 315.5 secs Computing kpt #: 293 total cpu time spent up to now is 316.5 secs Computing kpt #: 294 total cpu time spent up to now is 317.5 secs Computing kpt #: 295 total cpu time spent up to now is 318.5 secs Computing kpt #: 296 total cpu time spent up to now is 319.4 secs Computing kpt #: 297 total cpu time spent up to now is 320.3 secs Computing kpt #: 298 total cpu time spent up to now is 321.1 secs Computing kpt #: 299 total cpu time spent up to now is 321.9 secs Computing kpt #: 300 total cpu time spent up to now is 322.7 secs Computing kpt #: 301 total cpu time spent up to now is 323.5 secs Computing kpt #: 302 total cpu time spent up to now is 324.2 secs Computing kpt #: 303 total cpu time spent up to now is 325.0 secs Computing kpt #: 304 total cpu time spent up to now is 325.8 secs Computing kpt #: 305 total cpu time spent up to now is 326.6 secs Computing kpt #: 306 total cpu time spent up to now is 327.5 secs Computing kpt #: 307 total cpu time spent up to now is 328.0 secs Computing kpt #: 308 total cpu time spent up to now is 328.6 secs Computing kpt #: 309 total cpu time spent up to now is 329.1 secs Computing kpt #: 310 total cpu time spent up to now is 329.7 secs Computing kpt #: 311 total cpu time spent up to now is 330.2 secs Computing kpt #: 312 total cpu time spent up to now is 330.8 secs Computing kpt #: 313 total cpu time spent up to now is 331.4 secs Computing kpt #: 314 total cpu time spent up to now is 332.0 secs Computing kpt #: 315 total cpu time spent up to now is 332.6 secs Computing kpt #: 316 total cpu time spent up to now is 333.2 secs Computing kpt #: 317 total cpu time spent up to now is 333.9 secs Computing kpt #: 318 total cpu time spent up to now is 334.5 secs Computing kpt #: 319 total cpu time spent up to now is 335.2 secs Computing kpt #: 320 total cpu time spent up to now is 335.9 secs Computing kpt #: 321 total cpu time spent up to now is 336.5 secs Computing kpt #: 322 total cpu time spent up to now is 337.2 secs Computing kpt #: 323 total cpu time spent up to now is 337.9 secs Computing kpt #: 324 total cpu time spent up to now is 338.6 secs Computing kpt #: 325 total cpu time spent up to now is 339.3 secs Computing kpt #: 326 total cpu time spent up to now is 340.0 secs ethr = 2.08E-08, avg # of iterations = 53.5 total cpu time spent up to now is 340.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5851 PWs) bands (ev): -17.8963 -17.8963 -17.7594 -17.7594 -5.2325 -5.2325 -4.5447 -4.5447 -4.3919 -4.3919 -4.2749 -4.2749 -3.0957 -3.0957 -3.0347 -3.0347 -2.4643 -2.4643 -2.2370 -2.2370 -2.1313 -2.1313 -1.8972 -1.8972 4.9802 4.9802 5.2449 5.2449 5.3428 5.3428 6.0437 6.0437 7.2305 7.2305 7.2883 7.2883 7.6811 7.6811 7.8528 7.8528 8.4996 8.4996 8.6323 8.6323 8.7103 8.7103 8.7871 8.7871 9.6666 9.6666 10.3743 10.3743 11.8516 11.8516 12.3174 12.3174 12.3514 12.3514 k = 0.0000 0.0132-0.0000 ( 5855 PWs) bands (ev): -17.8961 -17.8961 -17.7593 -17.7593 -5.2317 -5.2317 -4.5452 -4.5452 -4.3927 -4.3927 -4.2745 -4.2745 -3.0965 -3.0965 -3.0365 -3.0365 -2.4629 -2.4629 -2.2418 -2.2418 -2.1248 -2.1248 -1.8962 -1.8962 4.9779 4.9779 5.2466 5.2466 5.3441 5.3441 6.0414 6.0414 7.2298 7.2298 7.2877 7.2877 7.6810 7.6810 7.8526 7.8526 8.4971 8.4971 8.6295 8.6295 8.7051 8.7051 8.7816 8.7816 9.6763 9.6763 10.3784 10.3784 11.8554 11.8554 12.3202 12.3202 12.3489 12.3489 k = 0.0000 0.0263-0.0000 ( 5853 PWs) bands (ev): -17.8958 -17.8958 -17.7593 -17.7593 -5.2293 -5.2293 -4.5467 -4.5467 -4.3951 -4.3951 -4.2734 -4.2734 -3.0991 -3.0991 -3.0419 -3.0419 -2.4591 -2.4591 -2.2535 -2.2535 -2.1079 -2.1079 -1.8930 -1.8930 4.9711 4.9711 5.2513 5.2513 5.3484 5.3484 6.0343 6.0343 7.2261 7.2261 7.2871 7.2871 7.6807 7.6807 7.8518 7.8518 8.4893 8.4893 8.6211 8.6211 8.6896 8.6896 8.7657 8.7657 9.7045 9.7045 10.3907 10.3907 11.8667 11.8667 12.3280 12.3280 12.3416 12.3416 k = 0.0000 0.0395-0.0000 ( 5845 PWs) bands (ev): -17.8951 -17.8951 -17.7593 -17.7593 -5.2252 -5.2252 -4.5492 -4.5492 -4.3991 -4.3991 -4.2716 -4.2716 -3.1033 -3.1033 -3.0504 -3.0504 -2.4533 -2.4533 -2.2675 -2.2675 -2.0852 -2.0852 -1.8876 -1.8876 4.9609 4.9609 5.2576 5.2576 5.3560 5.3560 6.0229 6.0229 7.2160 7.2160 7.2901 7.2901 7.6803 7.6803 7.8505 7.8505 8.4764 8.4764 8.6075 8.6075 8.6643 8.6643 8.7413 8.7413 9.7489 9.7489 10.4110 10.4110 11.8853 11.8853 12.3300 12.3300 12.3399 12.3399 k = 0.0000 0.0526-0.0000 ( 5849 PWs) bands (ev): -17.8943 -17.8943 -17.7592 -17.7592 -5.2194 -5.2194 -4.5528 -4.5528 -4.4046 -4.4046 -4.2691 -4.2691 -3.1092 -3.1092 -3.0616 -3.0616 -2.4463 -2.4463 -2.2811 -2.2811 -2.0593 -2.0593 -1.8799 -1.8799 4.9482 4.9482 5.2640 5.2640 5.3674 5.3674 6.0073 6.0073 7.1975 7.1975 7.2984 7.2984 7.6796 7.6796 7.8487 7.8487 8.4583 8.4583 8.5891 8.5891 8.6305 8.6305 8.7103 8.7103 9.8067 9.8067 10.4391 10.4391 11.9109 11.9109 12.3155 12.3155 12.3510 12.3510 k = 0.0000 0.0658-0.0000 ( 5847 PWs) bands (ev): -17.8932 -17.8932 -17.7591 -17.7591 -5.2122 -5.2122 -4.5573 -4.5573 -4.4116 -4.4116 -4.2659 -4.2659 -3.1170 -3.1170 -3.0747 -3.0747 -2.4389 -2.4389 -2.2927 -2.2927 -2.0316 -2.0316 -1.8699 -1.8699 4.9341 4.9341 5.2694 5.2694 5.3827 5.3827 5.9882 5.9882 7.1712 7.1712 7.3113 7.3113 7.6788 7.6788 7.8464 7.8464 8.4350 8.4350 8.5665 8.5665 8.5899 8.5899 8.6738 8.6738 9.8750 9.8750 10.4747 10.4747 11.9429 11.9429 12.2985 12.2985 12.3519 12.3519 k = 0.0000 0.0789-0.0000 ( 5845 PWs) bands (ev): -17.8918 -17.8918 -17.7590 -17.7590 -5.2034 -5.2034 -4.5627 -4.5627 -4.4201 -4.4201 -4.2621 -4.2621 -3.1268 -3.1268 -3.0889 -3.0889 -2.4322 -2.4322 -2.3012 -2.3012 -2.0030 -2.0030 -1.8573 -1.8573 4.9194 4.9194 5.2734 5.2734 5.4016 5.4016 5.9660 5.9660 7.1383 7.1383 7.3275 7.3275 7.6778 7.6778 7.8436 7.8436 8.4065 8.4065 8.5398 8.5398 8.5449 8.5449 8.6325 8.6325 9.9518 9.9518 10.5175 10.5175 11.9808 11.9808 12.2802 12.2802 12.3397 12.3397 k = 0.0000 0.0921-0.0000 ( 5835 PWs) bands (ev): -17.8903 -17.8903 -17.7589 -17.7589 -5.1931 -5.1931 -4.5691 -4.5691 -4.4299 -4.4299 -4.2578 -4.2578 -3.1387 -3.1387 -3.1034 -3.1034 -2.4272 -2.4272 -2.3059 -2.3059 -1.9739 -1.9739 -1.8421 -1.8421 4.9050 4.9050 5.2762 5.2762 5.4231 5.4231 5.9412 5.9412 7.0998 7.0998 7.3457 7.3457 7.6766 7.6766 7.8402 7.8402 8.3731 8.3731 8.4953 8.4953 8.5114 8.5114 8.5866 8.5866 10.0349 10.0349 10.5671 10.5671 12.0237 12.0237 12.2609 12.2609 12.3213 12.3213 k = 0.0000 0.1053-0.0000 ( 5837 PWs) bands (ev): -17.8885 -17.8885 -17.7588 -17.7588 -5.1814 -5.1814 -4.5764 -4.5764 -4.4411 -4.4411 -4.2529 -4.2529 -3.1527 -3.1527 -3.1175 -3.1175 -2.4244 -2.4244 -2.3066 -2.3066 -1.9449 -1.9449 -1.8243 -1.8243 4.8912 4.8912 5.2779 5.2779 5.4467 5.4467 5.9145 5.9145 7.0565 7.0565 7.3650 7.3650 7.6753 7.6753 7.8362 7.8362 8.3349 8.3349 8.4447 8.4447 8.4795 8.4795 8.5368 8.5368 10.1231 10.1231 10.6231 10.6231 12.0701 12.0701 12.2412 12.2412 12.3013 12.3013 k = 0.0000 0.1184-0.0000 ( 5841 PWs) bands (ev): -17.8865 -17.8865 -17.7587 -17.7587 -5.1684 -5.1684 -4.5845 -4.5845 -4.4535 -4.4535 -4.2477 -4.2477 -3.1686 -3.1686 -3.1311 -3.1311 -2.4238 -2.4238 -2.3040 -2.3040 -1.9161 -1.9161 -1.8038 -1.8038 4.8786 4.8786 5.2788 5.2788 5.4714 5.4714 5.8862 5.8862 7.0091 7.0091 7.3844 7.3844 7.6737 7.6737 7.8317 7.8317 8.2925 8.2925 8.3930 8.3930 8.4454 8.4454 8.4837 8.4837 10.2152 10.2152 10.6853 10.6853 12.1174 12.1174 12.2213 12.2213 12.2815 12.2815 k = 0.0000 0.1316-0.0000 ( 5845 PWs) bands (ev): -17.8842 -17.8842 -17.7586 -17.7586 -5.1542 -5.1542 -4.5934 -4.5934 -4.4671 -4.4671 -4.2420 -4.2420 -3.1857 -3.1857 -3.1442 -3.1442 -2.4247 -2.4247 -2.2988 -2.2988 -1.8877 -1.8877 -1.7808 -1.7808 4.8676 4.8676 5.2794 5.2794 5.4969 5.4969 5.8570 5.8570 6.9584 6.9584 7.4031 7.4031 7.6720 7.6720 7.8265 7.8265 8.2462 8.2462 8.3409 8.3409 8.4085 8.4085 8.4288 8.4288 10.3103 10.3103 10.7531 10.7531 12.1576 12.1576 12.2044 12.2044 12.2637 12.2637 k = 0.0000 0.1447-0.0000 ( 5849 PWs) bands (ev): -17.8818 -17.8818 -17.7585 -17.7585 -5.1389 -5.1389 -4.6031 -4.6031 -4.4815 -4.4815 -4.2361 -4.2361 -3.2033 -3.2033 -3.1570 -3.1570 -2.4262 -2.4262 -2.2921 -2.2921 -1.8596 -1.8596 -1.7558 -1.7558 4.8584 4.8584 5.2797 5.2797 5.5226 5.5226 5.8271 5.8271 6.9048 6.9048 7.4203 7.4203 7.6701 7.6701 7.8207 7.8207 8.1968 8.1968 8.2887 8.2887 8.3631 8.3631 8.3788 8.3788 10.4076 10.4076 10.8261 10.8261 12.1620 12.1620 12.2069 12.2069 12.2498 12.2498 k = 0.0000 0.1579-0.0000 ( 5844 PWs) bands (ev): -17.8792 -17.8792 -17.7585 -17.7585 -5.1226 -5.1226 -4.6134 -4.6134 -4.4968 -4.4968 -4.2300 -4.2300 -3.2210 -3.2210 -3.1697 -3.1697 -2.4279 -2.4279 -2.2849 -2.2849 -1.8317 -1.8317 -1.7290 -1.7290 4.8513 4.8513 5.2798 5.2798 5.5481 5.5481 5.7971 5.7971 6.8490 6.8490 7.4351 7.4351 7.6681 7.6681 7.8141 7.8141 8.1447 8.1447 8.2367 8.2367 8.3060 8.3060 8.3379 8.3379 10.5065 10.5065 10.9039 10.9039 12.1389 12.1389 12.2005 12.2005 12.2409 12.2409 k = 0.0000 0.1711-0.0000 ( 5850 PWs) bands (ev): -17.8764 -17.8764 -17.7584 -17.7584 -5.1056 -5.1056 -4.6244 -4.6244 -4.5127 -4.5127 -4.2238 -4.2238 -3.2383 -3.2383 -3.1823 -3.1823 -2.4292 -2.4292 -2.2778 -2.2778 -1.8038 -1.8038 -1.7010 -1.7010 4.8465 4.8465 5.2801 5.2801 5.5732 5.5732 5.7674 5.7674 6.7914 6.7914 7.4466 7.4466 7.6659 7.6659 7.8065 7.8065 8.0906 8.0906 8.1851 8.1851 8.2464 8.2464 8.2980 8.2980 10.6063 10.6063 10.9859 10.9859 12.1049 12.1049 12.1697 12.1697 12.2315 12.2315 k = 0.0000 0.1842-0.0000 ( 5854 PWs) bands (ev): -17.8735 -17.8735 -17.7584 -17.7584 -5.0879 -5.0879 -4.6358 -4.6358 -4.5290 -4.5290 -4.2176 -4.2176 -3.2550 -3.2550 -3.1947 -3.1947 -2.4300 -2.4300 -2.2710 -2.2710 -1.7759 -1.7759 -1.6723 -1.6723 4.8443 4.8443 5.2804 5.2804 5.5975 5.5975 5.7382 5.7382 6.7326 6.7326 7.4538 7.4538 7.6636 7.6636 7.7978 7.7978 8.0351 8.0351 8.1342 8.1342 8.1871 8.1871 8.2577 8.2577 10.7065 10.7065 11.0715 11.0715 12.0543 12.0543 12.1361 12.1361 12.2236 12.2236 k = 0.0000 0.1974-0.0000 ( 5856 PWs) bands (ev): -17.8704 -17.8704 -17.7585 -17.7585 -5.0699 -5.0699 -4.6477 -4.6477 -4.5452 -4.5452 -4.2116 -4.2116 -3.2709 -3.2709 -3.2069 -3.2069 -2.4300 -2.4300 -2.2649 -2.2649 -1.7479 -1.7479 -1.6433 -1.6433 4.8449 4.8449 5.2810 5.2810 5.6208 5.6208 5.7098 5.7098 6.6729 6.6729 7.4558 7.4558 7.6610 7.6610 7.7874 7.7874 7.9787 7.9787 8.0842 8.0842 8.1295 8.1295 8.2170 8.2170 10.8068 10.8068 11.1598 11.1598 11.9887 11.9887 12.1113 12.1113 12.2186 12.2186 k = 0.0000 0.2105-0.0000 ( 5854 PWs) bands (ev): -17.8671 -17.8671 -17.7586 -17.7586 -5.0518 -5.0518 -4.6601 -4.6601 -4.5611 -4.5611 -4.2057 -4.2057 -3.2859 -3.2859 -3.2190 -3.2190 -2.4292 -2.4292 -2.2596 -2.2596 -1.7198 -1.7198 -1.6142 -1.6142 4.8484 4.8484 5.2820 5.2820 5.6425 5.6425 5.6830 5.6830 6.6127 6.6127 7.4514 7.4514 7.6584 7.6584 7.7748 7.7748 7.9221 7.9221 8.0358 8.0358 8.0748 8.0748 8.1760 8.1760 10.9065 10.9065 11.2495 11.2495 11.9171 11.9171 12.0941 12.0941 12.2161 12.2161 k = 0.0000 0.2237-0.0000 ( 5862 PWs) bands (ev): -17.8638 -17.8638 -17.7587 -17.7587 -5.0339 -5.0339 -4.6729 -4.6729 -4.5762 -4.5762 -4.2002 -4.2002 -3.2998 -3.2998 -3.2307 -3.2307 -2.4277 -2.4277 -2.2551 -2.2551 -1.6916 -1.6916 -1.5855 -1.5855 4.8550 4.8550 5.2834 5.2834 5.6525 5.6525 5.6677 5.6677 6.5524 6.5524 7.4395 7.4395 7.6554 7.6554 7.7588 7.7588 7.8663 7.8663 7.9899 7.9899 8.0236 8.0236 8.1350 8.1350 11.0052 11.0052 11.3390 11.3390 11.8454 11.8454 12.0839 12.0839 12.2159 12.2159 k = 0.0000 0.2368-0.0000 ( 5858 PWs) bands (ev): -17.8603 -17.8603 -17.7589 -17.7589 -5.0167 -5.0167 -4.6863 -4.6863 -4.5898 -4.5898 -4.1951 -4.1951 -3.3127 -3.3127 -3.2422 -3.2422 -2.4254 -2.4254 -2.2514 -2.2514 -1.6635 -1.6635 -1.5573 -1.5573 4.8649 4.8649 5.2853 5.2853 5.6306 5.6306 5.6843 5.6843 6.4922 6.4922 7.4189 7.4189 7.6519 7.6519 7.7382 7.7382 7.8131 7.8131 7.9474 7.9474 7.9768 7.9768 8.0942 8.0942 11.1026 11.1026 11.4258 11.4258 11.7767 11.7767 12.0821 12.0821 12.2177 12.2177 k = 0.0000 0.2500-0.0000 ( 5858 PWs) bands (ev): -17.8567 -17.8567 -17.7592 -17.7592 -5.0005 -5.0005 -4.7003 -4.7003 -4.6012 -4.6012 -4.1906 -4.1906 -3.3244 -3.3244 -3.2532 -3.2532 -2.4225 -2.4225 -2.2486 -2.2486 -1.6356 -1.6356 -1.5298 -1.5298 4.8781 4.8781 5.2879 5.2879 5.6080 5.6080 5.7014 5.7014 6.4324 6.4324 7.3886 7.3886 7.6470 7.6470 7.7114 7.7114 7.7653 7.7653 7.9082 7.9082 7.9354 7.9354 8.0541 8.0541 11.1982 11.1982 11.5064 11.5064 11.7129 11.7129 12.0917 12.0917 12.2214 12.2214 k = 0.0000 0.2632-0.0000 ( 5862 PWs) bands (ev): -17.8530 -17.8530 -17.7596 -17.7596 -4.9858 -4.9858 -4.7151 -4.7151 -4.6096 -4.6096 -4.1867 -4.1867 -3.3350 -3.3350 -3.2639 -3.2639 -2.4188 -2.4188 -2.2465 -2.2465 -1.6079 -1.6079 -1.5033 -1.5033 4.8949 4.8949 5.2911 5.2911 5.5871 5.5871 5.7166 5.7166 6.3733 6.3733 7.3482 7.3482 7.6365 7.6365 7.6807 7.6807 7.7263 7.7263 7.8701 7.8701 7.9011 7.9011 8.0151 8.0151 11.2914 11.2914 11.5760 11.5760 11.6560 11.6560 12.1160 12.1160 12.2268 12.2268 k = 0.0000 0.2763-0.0000 ( 5862 PWs) bands (ev): -17.8493 -17.8493 -17.7601 -17.7601 -4.9732 -4.9732 -4.7307 -4.7307 -4.6145 -4.6145 -4.1836 -4.1836 -3.3445 -3.3445 -3.2741 -3.2741 -2.4146 -2.4146 -2.2452 -2.2452 -1.5807 -1.5807 -1.4778 -1.4778 4.9152 4.9152 5.2951 5.2951 5.5681 5.5681 5.7298 5.7298 6.3150 6.3150 7.2980 7.2980 7.6091 7.6091 7.6608 7.6608 7.6943 7.6943 7.8321 7.8321 7.8734 7.8734 7.9776 7.9776 11.3816 11.3816 11.6008 11.6008 11.6371 11.6371 12.1581 12.1581 12.2339 12.2339 k = 0.0000 0.2895-0.0000 ( 5854 PWs) bands (ev): -17.8455 -17.8455 -17.7607 -17.7607 -4.9629 -4.9629 -4.7470 -4.7470 -4.6153 -4.6153 -4.1814 -4.1814 -3.3530 -3.3530 -3.2839 -3.2839 -2.4099 -2.4099 -2.2446 -2.2446 -1.5540 -1.5540 -1.4534 -1.4534 4.9393 4.9393 5.3000 5.3000 5.5512 5.5512 5.7406 5.7406 6.2578 6.2578 7.2387 7.2387 7.5686 7.5686 7.6513 7.6513 7.6675 7.6675 7.7950 7.7950 7.8496 7.8496 7.9424 7.9424 11.4667 11.4667 11.5625 11.5625 11.6759 11.6759 12.2157 12.2157 12.2449 12.2449 k = 0.0000 0.3026-0.0000 ( 5854 PWs) bands (ev): -17.8416 -17.8416 -17.7614 -17.7614 -4.9552 -4.9552 -4.7639 -4.7639 -4.6119 -4.6119 -4.1802 -4.1802 -3.3603 -3.3603 -3.2932 -3.2932 -2.4046 -2.4046 -2.2446 -2.2446 -1.5279 -1.5279 -1.4304 -1.4304 4.9671 4.9671 5.3058 5.3058 5.5365 5.5365 5.7491 5.7491 6.2017 6.2017 7.1717 7.1717 7.5262 7.5262 7.6333 7.6333 7.6541 7.6541 7.7597 7.7597 7.8267 7.8267 7.9104 7.9104 11.5117 11.5117 11.5665 11.5665 11.7036 11.7036 12.2467 12.2467 12.2980 12.2980 k = 0.0000 0.3158-0.0000 ( 5856 PWs) bands (ev): -17.8377 -17.8377 -17.7622 -17.7622 -4.9501 -4.9501 -4.7811 -4.7811 -4.6043 -4.6043 -4.1800 -4.1800 -3.3667 -3.3667 -3.3021 -3.3021 -2.3990 -2.3990 -2.2453 -2.2453 -1.5027 -1.5027 -1.4088 -1.4088 4.9986 4.9986 5.3127 5.3127 5.5240 5.5240 5.7550 5.7550 6.1469 6.1469 7.0985 7.0985 7.4854 7.4854 7.6078 7.6078 7.6501 7.6501 7.7267 7.7267 7.8027 7.8027 7.8825 7.8825 11.4913 11.4913 11.6388 11.6388 11.7232 11.7232 12.2578 12.2578 12.3790 12.3790 k = 0.0000 0.3289-0.0000 ( 5856 PWs) bands (ev): -17.8338 -17.8338 -17.7631 -17.7631 -4.9474 -4.9474 -4.7984 -4.7984 -4.5930 -4.5930 -4.1810 -4.1810 -3.3721 -3.3721 -3.3105 -3.3105 -2.3930 -2.3930 -2.2466 -2.2466 -1.4784 -1.4784 -1.3886 -1.3886 5.0340 5.0340 5.3206 5.3206 5.5138 5.5138 5.7584 5.7584 6.0936 6.0936 7.0203 7.0203 7.4475 7.4475 7.5817 7.5817 7.6469 7.6469 7.6969 7.6969 7.7768 7.7768 7.8589 7.8589 11.4732 11.4732 11.7045 11.7045 11.7459 11.7459 12.2683 12.2683 12.4582 12.4582 k = 0.0000 0.3421-0.0000 ( 5854 PWs) bands (ev): -17.8299 -17.8299 -17.7641 -17.7641 -4.9467 -4.9467 -4.8154 -4.8154 -4.5783 -4.5783 -4.1833 -4.1833 -3.3766 -3.3766 -3.3185 -3.3185 -2.3867 -2.3867 -2.2484 -2.2484 -1.4551 -1.4551 -1.3700 -1.3700 5.0732 5.0732 5.3297 5.3297 5.5060 5.5060 5.7592 5.7592 6.0418 6.0418 6.9383 6.9383 7.4130 7.4130 7.5556 7.5556 7.6414 7.6414 7.6726 7.6726 7.7493 7.7493 7.8391 7.8391 11.4623 11.4623 11.7317 11.7317 11.8006 11.8006 12.2788 12.2788 12.5198 12.5198 k = 0.0000 0.3553-0.0000 ( 5860 PWs) bands (ev): -17.8261 -17.8261 -17.7653 -17.7653 -4.9475 -4.9475 -4.8321 -4.8321 -4.5609 -4.5609 -4.1869 -4.1869 -3.3803 -3.3803 -3.3259 -3.3259 -2.3801 -2.3801 -2.2508 -2.2508 -1.4329 -1.4329 -1.3530 -1.3530 5.1161 5.1161 5.3401 5.3401 5.5006 5.5006 5.7576 5.7576 5.9917 5.9917 6.8532 6.8532 7.3821 7.3821 7.5296 7.5296 7.6276 7.6276 7.6597 7.6597 7.7211 7.7211 7.8219 7.8219 11.4590 11.4590 11.7421 11.7421 11.8667 11.8667 12.2892 12.2892 12.5458 12.5458 k = 0.0000 0.3684-0.0000 ( 5860 PWs) bands (ev): -17.8222 -17.8222 -17.7666 -17.7666 -4.9494 -4.9494 -4.8482 -4.8482 -4.5415 -4.5415 -4.1919 -4.1919 -3.3832 -3.3832 -3.3330 -3.3330 -2.3734 -2.3734 -2.2537 -2.2537 -1.4119 -1.4119 -1.3377 -1.3377 5.1626 5.1626 5.3518 5.3518 5.4975 5.4975 5.7537 5.7537 5.9433 5.9433 6.7659 6.7659 7.3552 7.3552 7.5038 7.5038 7.6074 7.6074 7.6563 7.6563 7.6933 7.6933 7.8064 7.8064 11.4630 11.4630 11.7503 11.7503 11.9304 11.9304 12.2993 12.2993 12.5308 12.5308 k = 0.0000 0.3816-0.0000 ( 5856 PWs) bands (ev): -17.8184 -17.8184 -17.7681 -17.7681 -4.9519 -4.9519 -4.8635 -4.8635 -4.5204 -4.5204 -4.1983 -4.1983 -3.3854 -3.3854 -3.3395 -3.3395 -2.3665 -2.3665 -2.2570 -2.2570 -1.3922 -1.3922 -1.3241 -1.3241 5.2125 5.2125 5.3649 5.3649 5.4966 5.4966 5.7478 5.7478 5.8966 5.8966 6.6769 6.6769 7.3324 7.3324 7.4783 7.4783 7.5873 7.5873 7.6561 7.6561 7.6666 7.6666 7.7922 7.7922 11.4740 11.4740 11.7586 11.7586 11.9899 11.9899 12.3085 12.3085 12.4873 12.4873 k = 0.0000 0.3947-0.0000 ( 5856 PWs) bands (ev): -17.8147 -17.8147 -17.7697 -17.7697 -4.9545 -4.9545 -4.8780 -4.8780 -4.4983 -4.4983 -4.2062 -4.2062 -3.3869 -3.3869 -3.3456 -3.3456 -2.3594 -2.3594 -2.2608 -2.2608 -1.3738 -1.3738 -1.3123 -1.3123 5.2655 5.2655 5.3795 5.3795 5.4981 5.4981 5.7403 5.7403 5.8519 5.8519 6.5869 6.5869 7.3136 7.3136 7.4533 7.4533 7.5690 7.5690 7.6413 7.6413 7.6574 7.6574 7.7789 7.7789 11.4915 11.4915 11.7675 11.7675 12.0447 12.0447 12.3163 12.3163 12.4321 12.4321 k = 0.0000 0.4079-0.0000 ( 5848 PWs) bands (ev): -17.8110 -17.8110 -17.7714 -17.7714 -4.9570 -4.9570 -4.8915 -4.8915 -4.4755 -4.4755 -4.2155 -4.2155 -3.3878 -3.3878 -3.3513 -3.3513 -2.3523 -2.3523 -2.2650 -2.2650 -1.3570 -1.3570 -1.3023 -1.3023 5.3208 5.3208 5.3959 5.3959 5.5016 5.5016 5.7318 5.7318 5.8091 5.8091 6.4964 6.4964 7.2989 7.2989 7.4289 7.4289 7.5532 7.5532 7.6178 7.6178 7.6595 7.6595 7.7663 7.7663 11.5149 11.5149 11.7773 11.7773 12.0944 12.0944 12.3210 12.3210 12.3766 12.3766 k = 0.0000 0.4211-0.0000 ( 5846 PWs) bands (ev): -17.8074 -17.8074 -17.7733 -17.7733 -4.9591 -4.9591 -4.9039 -4.9039 -4.4524 -4.4524 -4.2264 -4.2264 -3.3881 -3.3881 -3.3566 -3.3566 -2.3452 -2.3452 -2.2696 -2.2696 -1.3417 -1.3417 -1.2942 -1.2942 5.3768 5.3768 5.4148 5.4148 5.5072 5.5072 5.7233 5.7233 5.7686 5.7686 6.4058 6.4058 7.2882 7.2882 7.4056 7.4056 7.5401 7.5401 7.5964 7.5964 7.6626 7.6626 7.7544 7.7544 11.5436 11.5436 11.7877 11.7877 12.1387 12.1387 12.3057 12.3057 12.3406 12.3406 k = 0.0000 0.4342-0.0000 ( 5858 PWs) bands (ev): -17.8039 -17.8039 -17.7754 -17.7754 -4.9606 -4.9606 -4.9152 -4.9152 -4.4293 -4.4293 -4.2387 -4.2387 -3.3878 -3.3878 -3.3615 -3.3615 -2.3381 -2.3381 -2.2745 -2.2745 -1.3279 -1.3279 -1.2880 -1.2880 5.4232 5.4232 5.4446 5.4446 5.5147 5.5147 5.7147 5.7147 5.7325 5.7325 6.3157 6.3157 7.2814 7.2814 7.3834 7.3834 7.5296 7.5296 7.5773 7.5773 7.6663 7.6663 7.7431 7.7431 11.5768 11.5768 11.7978 11.7978 12.1759 12.1759 12.2601 12.2601 12.2963 12.2963 k = 0.0000 0.4474-0.0000 ( 5860 PWs) bands (ev): -17.8004 -17.8004 -17.7776 -17.7776 -4.9612 -4.9612 -4.9253 -4.9253 -4.4063 -4.4063 -4.2525 -4.2525 -3.3871 -3.3871 -3.3659 -3.3659 -2.3310 -2.3310 -2.2798 -2.2798 -1.3158 -1.3158 -1.2836 -1.2836 5.4486 5.4486 5.4921 5.4921 5.5245 5.5245 5.6895 5.6895 5.7213 5.7213 6.2266 6.2266 7.2783 7.2783 7.3627 7.3627 7.5219 7.5219 7.5605 7.5605 7.6708 7.6708 7.7324 7.7324 11.6136 11.6136 11.8063 11.8063 12.1896 12.1896 12.2326 12.2326 12.2465 12.2465 k = 0.0000 0.4605-0.0000 ( 5860 PWs) bands (ev): -17.7971 -17.7971 -17.7800 -17.7800 -4.9609 -4.9609 -4.9342 -4.9342 -4.3839 -4.3839 -4.2676 -4.2676 -3.3859 -3.3859 -3.3700 -3.3700 -2.3240 -2.3240 -2.2854 -2.2854 -1.3054 -1.3054 -1.2811 -1.2811 5.4713 5.4713 5.5255 5.5255 5.5425 5.5425 5.6562 5.6562 5.7344 5.7344 6.1392 6.1392 7.2787 7.2787 7.3436 7.3436 7.5171 7.5171 7.5463 7.5463 7.6761 7.6761 7.7224 7.7224 11.6530 11.6530 11.8104 11.8104 12.1588 12.1588 12.2023 12.2023 12.2517 12.2517 k = 0.0000 0.4737-0.0000 ( 5868 PWs) bands (ev): -17.7939 -17.7939 -17.7825 -17.7825 -4.9594 -4.9594 -4.9418 -4.9418 -4.3620 -4.3620 -4.2842 -4.2842 -3.3843 -3.3843 -3.3736 -3.3736 -2.3171 -2.3171 -2.2913 -2.2913 -1.2968 -1.2968 -1.2805 -1.2805 5.4944 5.4944 5.5379 5.5379 5.5634 5.5634 5.6251 5.6251 5.7697 5.7697 6.0540 6.0540 7.2825 7.2825 7.3265 7.3265 7.5150 7.5150 7.5346 7.5346 7.6821 7.6821 7.7130 7.7130 11.6932 11.6932 11.8068 11.8068 12.1306 12.1306 12.1652 12.1652 12.2752 12.2752 k = 0.0000 0.4868-0.0000 ( 5868 PWs) bands (ev): -17.7909 -17.7909 -17.7851 -17.7851 -4.9569 -4.9569 -4.9481 -4.9481 -4.3410 -4.3410 -4.3020 -4.3020 -3.3822 -3.3822 -3.3769 -3.3769 -2.3104 -2.3104 -2.2974 -2.2974 -1.2900 -1.2900 -1.2818 -1.2818 5.5173 5.5173 5.5434 5.5434 5.5725 5.5725 5.5988 5.5988 5.8258 5.8258 5.9722 5.9722 7.2894 7.2894 7.3117 7.3117 7.5157 7.5157 7.5256 7.5256 7.6887 7.6887 7.7042 7.7042 11.7320 11.7320 11.7922 11.7922 12.1168 12.1168 12.1367 12.1367 12.2952 12.2952 k = 0.0000 0.5000-0.0000 ( 5858 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -4.9531 -4.9531 -4.9531 -4.9531 -4.3210 -4.3210 -4.3210 -4.3210 -3.3797 -3.3797 -3.3797 -3.3797 -2.3038 -2.3038 -2.3038 -2.3038 -1.2849 -1.2849 -1.2849 -1.2849 5.5363 5.5363 5.5363 5.5363 5.5810 5.5810 5.5810 5.5810 5.8951 5.8951 5.8951 5.8951 7.2992 7.2992 7.2992 7.2992 7.5193 7.5193 7.5193 7.5193 7.6961 7.6961 7.6961 7.6961 11.7663 11.7663 11.7663 11.7663 12.1195 12.1195 12.1195 12.1195 12.3112 12.3112 k = 0.0000 0.5000-0.0000 ( 5858 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -4.9531 -4.9531 -4.9531 -4.9531 -4.3210 -4.3210 -4.3210 -4.3210 -3.3797 -3.3797 -3.3797 -3.3797 -2.3038 -2.3038 -2.3038 -2.3038 -1.2849 -1.2849 -1.2849 -1.2849 5.5363 5.5363 5.5363 5.5363 5.5810 5.5810 5.5810 5.5810 5.8951 5.8951 5.8951 5.8951 7.2992 7.2992 7.2992 7.2992 7.5193 7.5193 7.5193 7.5193 7.6961 7.6961 7.6961 7.6961 11.7663 11.7663 11.7663 11.7663 12.1195 12.1195 12.1195 12.1195 12.3112 12.3112 k = 0.0132 0.5000-0.0000 ( 5860 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -4.9531 -4.9531 -4.9522 -4.9522 -4.3206 -4.3206 -4.3200 -4.3200 -3.3823 -3.3823 -3.3773 -3.3773 -2.3081 -2.3081 -2.3009 -2.3009 -1.2874 -1.2874 -1.2853 -1.2853 5.5188 5.5188 5.5397 5.5397 5.5724 5.5724 5.5899 5.5899 5.9020 5.9020 5.9026 5.9026 7.3004 7.3004 7.3018 7.3018 7.5187 7.5187 7.5221 7.5221 7.6964 7.6964 7.6974 7.6974 11.7656 11.7656 11.7677 11.7677 12.0917 12.0917 12.0987 12.0987 12.3351 12.3352 k = 0.0263 0.5000-0.0000 ( 5860 PWs) bands (ev): -17.7877 -17.7877 -17.7877 -17.7877 -4.9523 -4.9523 -4.9504 -4.9504 -4.3187 -4.3187 -4.3176 -4.3176 -3.3850 -3.3850 -3.3749 -3.3749 -2.3137 -2.3137 -2.2993 -2.2993 -1.2927 -1.2927 -1.2886 -1.2886 5.4928 5.4928 5.5202 5.5202 5.5743 5.5743 5.5950 5.5950 5.9216 5.9216 5.9228 5.9228 7.3055 7.3055 7.3082 7.3082 7.5204 7.5204 7.5271 7.5271 7.6982 7.6982 7.7001 7.7001 11.7649 11.7649 11.7699 11.7699 12.0353 12.0353 12.0489 12.0489 12.3866 12.3866 k = 0.0395 0.5000-0.0000 ( 5856 PWs) bands (ev): -17.7874 -17.7874 -17.7874 -17.7874 -4.9506 -4.9506 -4.9477 -4.9477 -4.3156 -4.3156 -4.3138 -4.3138 -3.3878 -3.3878 -3.3726 -3.3726 -2.3207 -2.3207 -2.2991 -2.2991 -1.3007 -1.3007 -1.2946 -1.2946 5.4598 5.4598 5.4872 5.4872 5.5804 5.5804 5.5978 5.5978 5.9507 5.9507 5.9526 5.9526 7.3141 7.3141 7.3184 7.3184 7.5242 7.5242 7.5343 7.5343 7.7015 7.7015 7.7043 7.7043 11.7621 11.7621 11.7724 11.7724 11.9697 11.9697 11.9917 11.9917 12.4473 12.4473 k = 0.0526 0.5000-0.0000 ( 5860 PWs) bands (ev): -17.7870 -17.7870 -17.7870 -17.7870 -4.9480 -4.9480 -4.9442 -4.9442 -4.3110 -4.3110 -4.3087 -4.3087 -3.3907 -3.3907 -3.3704 -3.3704 -2.3289 -2.3289 -2.3001 -2.3001 -1.3116 -1.3116 -1.3033 -1.3033 5.4215 5.4215 5.4478 5.4478 5.5869 5.5869 5.6000 5.6000 5.9862 5.9862 5.9889 5.9889 7.3262 7.3262 7.3320 7.3320 7.5303 7.5303 7.5437 7.5437 7.7064 7.7064 7.7100 7.7100 11.7531 11.7531 11.7728 11.7728 11.9035 11.9035 11.9383 11.9383 12.5104 12.5104 k = 0.0658 0.5000-0.0000 ( 5854 PWs) bands (ev): -17.7864 -17.7864 -17.7864 -17.7864 -4.9446 -4.9446 -4.9399 -4.9399 -4.3051 -4.3051 -4.3023 -4.3023 -3.3936 -3.3936 -3.3683 -3.3683 -2.3385 -2.3385 -2.3024 -2.3024 -1.3252 -1.3252 -1.3147 -1.3147 5.3794 5.3794 5.4045 5.4045 5.5935 5.5935 5.6026 5.6026 6.0257 6.0257 6.0295 6.0295 7.3413 7.3413 7.3488 7.3488 7.5385 7.5385 7.5551 7.5551 7.7130 7.7130 7.7173 7.7173 11.7298 11.7298 11.7607 11.7607 11.8492 11.8492 11.8987 11.8987 12.5739 12.5739 k = 0.0789 0.5000-0.0000 ( 5854 PWs) bands (ev): -17.7858 -17.7858 -17.7858 -17.7858 -4.9404 -4.9404 -4.9347 -4.9347 -4.2978 -4.2978 -4.2945 -4.2945 -3.3966 -3.3966 -3.3662 -3.3662 -2.3492 -2.3492 -2.3058 -2.3058 -1.3414 -1.3414 -1.3287 -1.3287 5.3347 5.3347 5.3587 5.3587 5.6004 5.6004 5.6060 5.6060 6.0677 6.0677 6.0730 6.0730 7.3592 7.3592 7.3684 7.3684 7.5490 7.5490 7.5685 7.5685 7.7214 7.7214 7.7263 7.7263 11.6867 11.6867 11.7157 11.7157 11.8282 11.8282 11.8794 11.8794 12.6365 12.6365 k = 0.0921 0.5000-0.0000 ( 5862 PWs) bands (ev): -17.7850 -17.7850 -17.7850 -17.7850 -4.9355 -4.9355 -4.9289 -4.9289 -4.2893 -4.2893 -4.2855 -4.2855 -3.3996 -3.3996 -3.3641 -3.3641 -2.3611 -2.3611 -2.3103 -2.3103 -1.3602 -1.3602 -1.3452 -1.3452 5.2882 5.2882 5.3114 5.3114 5.6078 5.6078 5.6102 5.6102 6.1114 6.1114 6.1183 6.1183 7.3792 7.3792 7.3901 7.3901 7.5618 7.5618 7.5839 7.5839 7.7317 7.7317 7.7368 7.7368 11.6287 11.6287 11.6493 11.6493 11.8292 11.8292 11.8758 11.8758 12.6977 12.6977 k = 0.1053 0.5000-0.0000 ( 5866 PWs) bands (ev): -17.7842 -17.7842 -17.7841 -17.7841 -4.9298 -4.9298 -4.9223 -4.9223 -4.2795 -4.2795 -4.2753 -4.2753 -3.4026 -3.4026 -3.3619 -3.3619 -2.3741 -2.3741 -2.3159 -2.3159 -1.3815 -1.3815 -1.3641 -1.3641 5.2406 5.2406 5.2630 5.2630 5.6154 5.6154 5.6156 5.6156 6.1560 6.1560 6.1649 6.1649 7.4009 7.4009 7.4133 7.4133 7.5771 7.5771 7.6010 7.6010 7.7441 7.7441 7.7491 7.7491 11.5633 11.5633 11.5772 11.5772 11.8365 11.8365 11.8805 11.8805 12.7569 12.7569 k = 0.1184 0.5000-0.0000 ( 5870 PWs) bands (ev): -17.7832 -17.7832 -17.7832 -17.7832 -4.9235 -4.9235 -4.9150 -4.9150 -4.2685 -4.2685 -4.2639 -4.2639 -3.4055 -3.4055 -3.3597 -3.3597 -2.3881 -2.3881 -2.3223 -2.3223 -1.4051 -1.4051 -1.3853 -1.3853 5.1923 5.1923 5.2141 5.2141 5.6216 5.6216 5.6241 5.6241 6.2011 6.2011 6.2122 6.2122 7.4237 7.4237 7.4372 7.4372 7.5951 7.5951 7.6199 7.6199 7.7588 7.7588 7.7632 7.7632 11.4945 11.4945 11.5037 11.5037 11.8457 11.8457 11.8891 11.8891 12.8135 12.8135 k = 0.1316 0.5000-0.0000 ( 5862 PWs) bands (ev): -17.7822 -17.7822 -17.7821 -17.7821 -4.9166 -4.9166 -4.9072 -4.9072 -4.2563 -4.2563 -4.2514 -4.2514 -3.4083 -3.4083 -3.3574 -3.3574 -2.4030 -2.4030 -2.3297 -2.3297 -1.4310 -1.4310 -1.4086 -1.4086 5.1438 5.1438 5.1650 5.1650 5.6289 5.6289 5.6333 5.6333 6.2464 6.2464 6.2599 6.2599 7.4469 7.4469 7.4609 7.4609 7.6162 7.6162 7.6403 7.6403 7.7760 7.7760 7.7793 7.7793 11.4246 11.4246 11.4302 11.4302 11.8551 11.8551 11.8992 11.8992 12.8668 12.8668 k = 0.1447 0.5000-0.0000 ( 5868 PWs) bands (ev): -17.7810 -17.7810 -17.7810 -17.7810 -4.9091 -4.9091 -4.8988 -4.8988 -4.2431 -4.2431 -4.2379 -4.2379 -3.4110 -3.4110 -3.3548 -3.3548 -2.4188 -2.4188 -2.3377 -2.3377 -1.4590 -1.4590 -1.4339 -1.4339 5.0953 5.0953 5.1160 5.1160 5.6372 5.6372 5.6433 5.6433 6.2915 6.2915 6.3075 6.3075 7.4701 7.4701 7.4836 7.4836 7.6403 7.6403 7.6621 7.6621 7.7961 7.7961 7.7974 7.7974 11.3546 11.3546 11.3574 11.3574 11.8635 11.8635 11.9093 11.9093 12.9157 12.9158 k = 0.1579 0.5000-0.0000 ( 5868 PWs) bands (ev): -17.7798 -17.7798 -17.7798 -17.7798 -4.9012 -4.9012 -4.8899 -4.8899 -4.2288 -4.2288 -4.2234 -4.2234 -3.4134 -3.4134 -3.3520 -3.3520 -2.4353 -2.4353 -2.3465 -2.3465 -1.4890 -1.4890 -1.4610 -1.4610 5.0471 5.0471 5.0673 5.0673 5.6466 5.6466 5.6541 5.6541 6.3362 6.3362 6.3547 6.3547 7.4926 7.4926 7.5048 7.5048 7.6673 7.6673 7.6849 7.6849 7.8179 7.8179 7.8193 7.8193 11.2851 11.2851 11.2857 11.2857 11.8699 11.8699 11.9180 11.9180 12.9587 12.9599 k = 0.1711 0.5000-0.0000 ( 5862 PWs) bands (ev): -17.7785 -17.7785 -17.7785 -17.7785 -4.8928 -4.8928 -4.8807 -4.8807 -4.2137 -4.2137 -4.2080 -4.2080 -3.4155 -3.4155 -3.3489 -3.3489 -2.4525 -2.4525 -2.3558 -2.3558 -1.5207 -1.5207 -1.4898 -1.4898 4.9994 4.9994 5.0191 5.0191 5.6572 5.6572 5.6659 5.6659 6.3800 6.3800 6.4012 6.4012 7.5141 7.5141 7.5243 7.5243 7.6964 7.6964 7.7084 7.7084 7.8411 7.8411 7.8459 7.8459 11.2153 11.2153 11.2167 11.2167 11.8733 11.8733 11.9239 11.9239 12.9875 12.9875 k = 0.1842 0.5000-0.0000 ( 5866 PWs) bands (ev): -17.7772 -17.7772 -17.7772 -17.7772 -4.8841 -4.8841 -4.8712 -4.8712 -4.1976 -4.1976 -4.1918 -4.1918 -3.4172 -3.4172 -3.3453 -3.3453 -2.4704 -2.4704 -2.3656 -2.3656 -1.5541 -1.5541 -1.5200 -1.5200 4.9524 4.9524 4.9716 4.9716 5.6689 5.6689 5.6786 5.6786 6.4226 6.4226 6.4464 6.4464 7.5345 7.5345 7.5421 7.5421 7.7268 7.7268 7.7322 7.7322 7.8676 7.8676 7.8761 7.8761 11.1467 11.1467 11.1497 11.1497 11.8725 11.8725 11.9257 11.9257 13.0004 13.0006 k = 0.1974 0.5000-0.0000 ( 5866 PWs) bands (ev): -17.7758 -17.7758 -17.7758 -17.7758 -4.8751 -4.8751 -4.8614 -4.8614 -4.1808 -4.1808 -4.1748 -4.1748 -3.4184 -3.4184 -3.3413 -3.3413 -2.4887 -2.4887 -2.3758 -2.3758 -1.5889 -1.5889 -1.5516 -1.5516 4.9062 4.9062 4.9250 4.9250 5.6819 5.6819 5.6924 5.6924 6.4637 6.4637 6.4899 6.4899 7.5536 7.5536 7.5584 7.5584 7.7560 7.7560 7.7572 7.7572 7.8977 7.8977 7.9098 7.9098 11.0800 11.0800 11.0844 11.0844 11.8663 11.8663 11.9219 11.9219 12.9986 12.9987 k = 0.2105 0.5000-0.0000 ( 5874 PWs) bands (ev): -17.7744 -17.7744 -17.7744 -17.7744 -4.8660 -4.8660 -4.8515 -4.8515 -4.1634 -4.1634 -4.1572 -4.1572 -3.4191 -3.4191 -3.3367 -3.3367 -2.5076 -2.5076 -2.3864 -2.3864 -1.6250 -1.6250 -1.5843 -1.5843 4.8611 4.8611 4.8794 4.8794 5.6962 5.6962 5.7073 5.7073 6.5028 6.5028 6.5314 6.5314 7.5714 7.5714 7.5735 7.5735 7.7794 7.7794 7.7867 7.7867 7.9317 7.9317 7.9468 7.9468 11.0155 11.0155 11.0211 11.0211 11.8536 11.8536 11.9112 11.9112 12.9851 12.9851 k = 0.2237 0.5000-0.0000 ( 5882 PWs) bands (ev): -17.7729 -17.7729 -17.7729 -17.7729 -4.8567 -4.8567 -4.8416 -4.8416 -4.1454 -4.1454 -4.1391 -4.1391 -3.4191 -3.4191 -3.3315 -3.3315 -2.5268 -2.5268 -2.3973 -2.3973 -1.6622 -1.6622 -1.6178 -1.6178 4.8172 4.8172 4.8349 4.8349 5.7118 5.7118 5.7233 5.7233 6.5395 6.5395 6.5703 6.5703 7.5878 7.5878 7.5882 7.5882 7.8026 7.8026 7.8147 7.8147 7.9697 7.9697 7.9866 7.9866 10.9535 10.9535 10.9600 10.9600 11.8337 11.8337 11.8925 11.8925 12.9659 12.9659 k = 0.2368 0.5000-0.0000 ( 5882 PWs) bands (ev): -17.7715 -17.7715 -17.7714 -17.7714 -4.8473 -4.8473 -4.8317 -4.8317 -4.1270 -4.1270 -4.1205 -4.1205 -3.4184 -3.4184 -3.3256 -3.3256 -2.5464 -2.5464 -2.4085 -2.4085 -1.7001 -1.7001 -1.6521 -1.6521 4.7746 4.7746 4.7918 4.7918 5.7288 5.7288 5.7406 5.7406 6.5734 6.5734 6.6060 6.6060 7.6012 7.6012 7.6039 7.6039 7.8254 7.8254 7.8411 7.8411 8.0110 8.0110 8.0289 8.0289 10.8941 10.8941 10.9015 10.9015 11.8059 11.8059 11.8650 11.8650 12.9465 12.9465 k = 0.2500 0.5000-0.0000 ( 5882 PWs) bands (ev): -17.7700 -17.7700 -17.7699 -17.7699 -4.8381 -4.8381 -4.8219 -4.8219 -4.1082 -4.1082 -4.1016 -4.1016 -3.4168 -3.4168 -3.3188 -3.3188 -2.5663 -2.5663 -2.4200 -2.4200 -1.7387 -1.7387 -1.6869 -1.6869 4.7335 4.7335 4.7501 4.7501 5.7472 5.7472 5.7593 5.7593 6.6041 6.6041 6.6382 6.6382 7.6141 7.6141 7.6189 7.6189 7.8480 7.8480 7.8661 7.8661 8.0550 8.0550 8.0729 8.0729 10.8375 10.8375 10.8457 10.8457 11.7705 11.7705 11.8287 11.8287 12.9309 12.9309 k = 0.2632 0.5000-0.0000 ( 5882 PWs) bands (ev): -17.7685 -17.7685 -17.7685 -17.7685 -4.8289 -4.8289 -4.8124 -4.8124 -4.0893 -4.0893 -4.0826 -4.0826 -3.4143 -3.4143 -3.3112 -3.3112 -2.5864 -2.5864 -2.4317 -2.4317 -1.7776 -1.7776 -1.7220 -1.7220 4.6939 4.6939 4.7099 4.7099 5.7671 5.7671 5.7792 5.7792 6.6310 6.6310 6.6663 6.6663 7.6266 7.6266 7.6330 7.6330 7.8705 7.8705 7.8900 7.8900 8.1009 8.1009 8.1183 8.1183 10.7840 10.7840 10.7927 10.7927 11.7278 11.7278 11.7843 11.7843 12.9210 12.9210 k = 0.2763 0.5000-0.0000 ( 5872 PWs) bands (ev): -17.7670 -17.7670 -17.7670 -17.7670 -4.8199 -4.8199 -4.8031 -4.8031 -4.0703 -4.0703 -4.0634 -4.0634 -3.4109 -3.4109 -3.3026 -3.3026 -2.6068 -2.6068 -2.4438 -2.4438 -1.8166 -1.8166 -1.7572 -1.7572 4.6559 4.6559 4.6714 4.6714 5.7885 5.7885 5.8005 5.8005 6.6539 6.6539 6.6900 6.6900 7.6386 7.6386 7.6466 7.6466 7.8928 7.8928 7.9130 7.9130 8.1479 8.1479 8.1645 8.1645 10.7338 10.7338 10.7429 10.7429 11.6788 11.6788 11.7328 11.7328 12.9173 12.9173 k = 0.2895 0.5000-0.0000 ( 5876 PWs) bands (ev): -17.7655 -17.7655 -17.7655 -17.7655 -4.8111 -4.8111 -4.7943 -4.7943 -4.0514 -4.0514 -4.0443 -4.0443 -3.4063 -3.4063 -3.2931 -3.2931 -2.6273 -2.6273 -2.4562 -2.4562 -1.8553 -1.8553 -1.7922 -1.7922 4.6198 4.6198 4.6345 4.6345 5.8114 5.8114 5.8233 5.8233 6.6724 6.6724 6.7088 6.7088 7.6504 7.6504 7.6595 7.6595 7.9150 7.9150 7.9353 7.9353 8.1956 8.1956 8.2110 8.2110 10.6870 10.6870 10.6963 10.6963 11.6247 11.6247 11.6759 11.6759 12.9194 12.9194 k = 0.3026 0.5000-0.0000 ( 5874 PWs) bands (ev): -17.7641 -17.7641 -17.7641 -17.7641 -4.8026 -4.8026 -4.7859 -4.7859 -4.0327 -4.0327 -4.0255 -4.0255 -3.4005 -3.4005 -3.2825 -3.2825 -2.6479 -2.6479 -2.4690 -2.4690 -1.8935 -1.8935 -1.8268 -1.8268 4.5854 4.5854 4.5995 4.5995 5.8360 5.8360 5.8475 5.8475 6.6862 6.6862 6.7225 6.7225 7.6618 7.6618 7.6719 7.6719 7.9372 7.9372 7.9570 7.9570 8.2432 8.2432 8.2574 8.2574 10.6438 10.6438 10.6532 10.6532 11.5670 11.5670 11.6150 11.6150 12.9263 12.9263 k = 0.3158 0.5000-0.0000 ( 5870 PWs) bands (ev): -17.7627 -17.7627 -17.7627 -17.7627 -4.7945 -4.7945 -4.7779 -4.7779 -4.0143 -4.0143 -4.0069 -4.0069 -3.3936 -3.3936 -3.2710 -3.2710 -2.6685 -2.6685 -2.4824 -2.4824 -1.9308 -1.9308 -1.8609 -1.8609 4.5530 4.5530 4.5664 4.5664 5.8621 5.8621 5.8732 5.8732 6.6951 6.6951 6.7309 6.7309 7.6730 7.6730 7.6837 7.6837 7.9592 7.9592 7.9782 7.9782 8.2904 8.2904 8.3033 8.3033 10.6043 10.6043 10.6137 10.6137 11.5068 11.5068 11.5516 11.5516 12.9370 12.9370 k = 0.3289 0.5000-0.0000 ( 5874 PWs) bands (ev): -17.7614 -17.7614 -17.7613 -17.7613 -4.7868 -4.7868 -4.7706 -4.7706 -3.9964 -3.9964 -3.9888 -3.9888 -3.3854 -3.3854 -3.2587 -3.2587 -2.6889 -2.6889 -2.4964 -2.4964 -1.9669 -1.9669 -1.8942 -1.8942 4.5226 4.5226 4.5352 4.5352 5.8897 5.8897 5.9003 5.9003 6.6992 6.6992 6.7340 6.7340 7.6839 7.6839 7.6950 7.6950 7.9809 7.9809 7.9988 7.9988 8.3366 8.3366 8.3482 8.3482 10.5687 10.5687 10.5779 10.5779 11.4456 11.4456 11.4872 11.4872 12.9504 12.9504 k = 0.3421 0.5000-0.0000 ( 5874 PWs) bands (ev): -17.7601 -17.7601 -17.7601 -17.7601 -4.7795 -4.7795 -4.7638 -4.7638 -3.9791 -3.9791 -3.9714 -3.9714 -3.3758 -3.3758 -3.2455 -3.2455 -2.7091 -2.7091 -2.5113 -2.5113 -2.0013 -2.0013 -1.9265 -1.9265 4.4943 4.4943 4.5061 4.5061 5.9189 5.9189 5.9288 5.9288 6.6983 6.6983 6.7319 6.7319 7.6944 7.6944 7.7057 7.7057 8.0022 8.0022 8.0188 8.0188 8.3815 8.3815 8.3919 8.3919 10.5370 10.5370 10.5458 10.5458 11.3843 11.3843 11.4227 11.4227 12.9656 12.9656 k = 0.3553 0.5000-0.0000 ( 5886 PWs) bands (ev): -17.7589 -17.7589 -17.7588 -17.7588 -4.7727 -4.7727 -4.7576 -4.7576 -3.9625 -3.9625 -3.9547 -3.9547 -3.3650 -3.3650 -3.2318 -3.2318 -2.7288 -2.7288 -2.5272 -2.5272 -2.0335 -2.0335 -1.9576 -1.9576 4.4680 4.4680 4.4790 4.4790 5.9496 5.9496 5.9587 5.9587 6.6925 6.6925 6.7246 6.7246 7.7046 7.7046 7.7158 7.7158 8.0229 8.0229 8.0380 8.0380 8.4246 8.4246 8.4338 8.4338 10.5094 10.5094 10.5177 10.5177 11.3240 11.3240 11.3593 11.3593 12.9816 12.9816 k = 0.3684 0.5000-0.0000 ( 5874 PWs) bands (ev): -17.7577 -17.7577 -17.7577 -17.7577 -4.7664 -4.7664 -4.7521 -4.7521 -3.9468 -3.9468 -3.9390 -3.9390 -3.3529 -3.3529 -3.2177 -3.2177 -2.7476 -2.7476 -2.5443 -2.5443 -2.0633 -2.0633 -1.9873 -1.9873 4.4440 4.4440 4.4541 4.4541 5.9816 5.9816 5.9899 5.9899 6.6822 6.6822 6.7124 6.7124 7.7143 7.7143 7.7253 7.7253 8.0428 8.0428 8.0563 8.0563 8.4656 8.4656 8.4737 8.4737 10.4857 10.4857 10.4934 10.4934 11.2654 11.2654 11.2977 11.2977 12.9979 12.9979 k = 0.3816 0.5000-0.0000 ( 5876 PWs) bands (ev): -17.7566 -17.7566 -17.7566 -17.7566 -4.7606 -4.7606 -4.7473 -4.7473 -3.9320 -3.9320 -3.9244 -3.9244 -3.3395 -3.3395 -3.2038 -3.2038 -2.7653 -2.7653 -2.5628 -2.5628 -2.0902 -2.0902 -2.0154 -2.0154 4.4222 4.4222 4.4313 4.4313 6.0150 6.0150 6.0223 6.0223 6.6677 6.6677 6.6957 6.6957 7.7235 7.7235 7.7340 7.7340 8.0616 8.0616 8.0735 8.0735 8.5041 8.5041 8.5111 8.5111 10.4659 10.4659 10.4729 10.4729 11.2093 11.2093 11.2388 11.2388 13.0139 13.0140 k = 0.3947 0.5000-0.0000 ( 5880 PWs) bands (ev): -17.7557 -17.7557 -17.7557 -17.7557 -4.7553 -4.7553 -4.7431 -4.7431 -3.9184 -3.9184 -3.9110 -3.9110 -3.3249 -3.3249 -3.1906 -3.1906 -2.7812 -2.7812 -2.5827 -2.5827 -2.1138 -2.1138 -2.0418 -2.0418 4.4026 4.4026 4.4108 4.4108 6.0496 6.0496 6.0558 6.0558 6.6492 6.6492 6.6750 6.6750 7.7321 7.7321 7.7419 7.7419 8.0792 8.0792 8.0894 8.0894 8.5397 8.5397 8.5458 8.5458 10.4500 10.4500 10.4562 10.4562 11.1565 11.1565 11.1830 11.1830 13.0292 13.0293 k = 0.4079 0.5000-0.0000 ( 5884 PWs) bands (ev): -17.7548 -17.7548 -17.7548 -17.7548 -4.7505 -4.7505 -4.7396 -4.7396 -3.9060 -3.9060 -3.8989 -3.8989 -3.3093 -3.3093 -3.1788 -3.1788 -2.7947 -2.7947 -2.6040 -2.6040 -2.1340 -2.1340 -2.0663 -2.0663 4.3853 4.3853 4.3926 4.3926 6.0851 6.0851 6.0901 6.0901 6.6273 6.6273 6.6507 6.6507 7.7401 7.7401 7.7489 7.7489 8.0952 8.0952 8.1039 8.1039 8.5721 8.5721 8.5773 8.5773 10.4376 10.4376 10.4429 10.4429 11.1076 11.1076 11.1311 11.1311 13.0433 13.0434 k = 0.4211 0.5000-0.0000 ( 5888 PWs) bands (ev): -17.7540 -17.7540 -17.7540 -17.7540 -4.7463 -4.7463 -4.7367 -4.7367 -3.8948 -3.8948 -3.8884 -3.8884 -3.2927 -3.2927 -3.1691 -3.1691 -2.8048 -2.8048 -2.6266 -2.6266 -2.1504 -2.1504 -2.0888 -2.0888 4.3703 4.3703 4.3766 4.3766 6.1212 6.1212 6.1249 6.1249 6.6025 6.6025 6.6235 6.6235 7.7472 7.7472 7.7551 7.7551 8.1095 8.1095 8.1167 8.1167 8.6010 8.6010 8.6053 8.6053 10.4286 10.4286 10.4330 10.4330 11.0632 11.0632 11.0838 11.0838 13.0561 13.0562 k = 0.4342 0.5000-0.0000 ( 5896 PWs) bands (ev): -17.7534 -17.7534 -17.7534 -17.7534 -4.7426 -4.7426 -4.7344 -4.7344 -3.8851 -3.8851 -3.8794 -3.8794 -3.2754 -3.2754 -3.1626 -3.1626 -2.8108 -2.8108 -2.6502 -2.6502 -2.1631 -2.1631 -2.1091 -2.1091 4.3577 4.3577 4.3630 4.3630 6.1576 6.1576 6.1600 6.1600 6.5756 6.5756 6.5940 6.5940 7.7536 7.7536 7.7603 7.7603 8.1219 8.1219 8.1277 8.1277 8.6260 8.6260 8.6295 8.6295 10.4224 10.4224 10.4259 10.4259 11.0241 11.0241 11.0416 11.0416 13.0673 13.0679 k = 0.4474 0.5000-0.0000 ( 5896 PWs) bands (ev): -17.7528 -17.7528 -17.7528 -17.7528 -4.7394 -4.7394 -4.7327 -4.7327 -3.8769 -3.8769 -3.8720 -3.8720 -3.2577 -3.2577 -3.1600 -3.1600 -2.8120 -2.8120 -2.6745 -2.6745 -2.1721 -2.1721 -2.1271 -2.1271 4.3475 4.3475 4.3517 4.3517 6.1935 6.1935 6.1945 6.1945 6.5474 6.5474 6.5631 6.5631 7.7590 7.7590 7.7645 7.7645 8.1323 8.1323 8.1368 8.1368 8.6470 8.6470 8.6497 8.6497 10.4186 10.4186 10.4213 10.4213 10.9910 10.9910 11.0052 11.0052 13.0767 13.0783 k = 0.4605 0.5000-0.0000 ( 5900 PWs) bands (ev): -17.7524 -17.7524 -17.7524 -17.7524 -4.7367 -4.7367 -4.7316 -4.7316 -3.8702 -3.8702 -3.8665 -3.8665 -3.2398 -3.2398 -3.1617 -3.1617 -2.8078 -2.8078 -2.6989 -2.6989 -2.1775 -2.1775 -2.1427 -2.1427 4.3396 4.3396 4.3428 4.3428 6.2275 6.2275 6.2277 6.2277 6.5195 6.5195 6.5323 6.5323 7.7634 7.7634 7.7676 7.7676 8.1406 8.1406 8.1439 8.1439 8.6636 8.6636 8.6656 8.6656 10.4167 10.4167 10.4185 10.4185 10.9646 10.9646 10.9755 10.9755 13.0844 13.0853 k = 0.4737 0.5000-0.0000 ( 5908 PWs) bands (ev): -17.7521 -17.7521 -17.7521 -17.7521 -4.7345 -4.7345 -4.7311 -4.7311 -3.8652 -3.8652 -3.8626 -3.8626 -3.2223 -3.2223 -3.1677 -3.1677 -2.7984 -2.7984 -2.7229 -2.7229 -2.1794 -2.1794 -2.1557 -2.1557 4.3342 4.3342 4.3363 4.3363 6.2571 6.2571 6.2581 6.2581 6.4941 6.4941 6.5035 6.5035 7.7669 7.7669 7.7697 7.7697 8.1467 8.1467 8.1489 8.1489 8.6757 8.6757 8.6771 8.6771 10.4159 10.4159 10.4170 10.4170 10.9457 10.9457 10.9530 10.9530 13.0902 13.0907 k = 0.4868 0.5000-0.0000 ( 5890 PWs) bands (ev): -17.7519 -17.7519 -17.7519 -17.7519 -4.7329 -4.7329 -4.7312 -4.7312 -3.8619 -3.8619 -3.8606 -3.8606 -3.2056 -3.2056 -3.1775 -3.1775 -2.7844 -2.7844 -2.7457 -2.7457 -2.1780 -2.1780 -2.1660 -2.1660 4.3311 4.3311 4.3322 4.3322 6.2794 6.2794 6.2804 6.2804 6.4755 6.4755 6.4808 6.4808 7.7692 7.7692 7.7706 7.7706 8.1506 8.1506 8.1517 8.1517 8.6832 8.6832 8.6838 8.6838 10.4158 10.4158 10.4163 10.4163 10.9348 10.9348 10.9385 10.9385 13.0946 13.0954 k = 0.5000 0.5000-0.0000 ( 5896 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7318 -4.7318 -4.7318 -4.7318 -3.8604 -3.8604 -3.8604 -3.8604 -3.1904 -3.1904 -3.1904 -3.1904 -2.7665 -2.7665 -2.7665 -2.7665 -2.1735 -2.1735 -2.1735 -2.1735 4.3304 4.3304 4.3304 4.3304 6.2885 6.2885 6.2885 6.2885 6.4700 6.4700 6.4700 6.4700 7.7705 7.7705 7.7705 7.7705 8.1523 8.1523 8.1523 8.1523 8.6859 8.6859 8.6859 8.6859 10.4159 10.4159 10.4159 10.4159 10.9324 10.9324 10.9324 10.9324 13.0959 13.0959 k = 0.5000 0.5000-0.0000 ( 5896 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7318 -4.7318 -4.7318 -4.7318 -3.8604 -3.8604 -3.8604 -3.8604 -3.1904 -3.1904 -3.1904 -3.1904 -2.7665 -2.7665 -2.7665 -2.7665 -2.1735 -2.1735 -2.1735 -2.1735 4.3304 4.3304 4.3304 4.3304 6.2885 6.2885 6.2885 6.2885 6.4700 6.4700 6.4700 6.4700 7.7705 7.7705 7.7705 7.7705 8.1523 8.1523 8.1523 8.1523 8.6859 8.6859 8.6859 8.6859 10.4159 10.4159 10.4159 10.4159 10.9324 10.9324 10.9324 10.9324 13.0959 13.0959 k = 0.4907 0.4907-0.0000 ( 5890 PWs) bands (ev): -17.7520 -17.7520 -17.7518 -17.7518 -4.7329 -4.7329 -4.7312 -4.7312 -3.8621 -3.8621 -3.8605 -3.8605 -3.2055 -3.2055 -3.1776 -3.1776 -2.7843 -2.7843 -2.7458 -2.7458 -2.1780 -2.1780 -2.1660 -2.1660 4.3306 4.3306 4.3326 4.3326 6.2732 6.2732 6.2874 6.2874 6.4681 6.4681 6.4873 6.4873 7.7692 7.7692 7.7707 7.7707 8.1496 8.1496 8.1527 8.1527 8.6816 8.6816 8.6855 8.6855 10.4151 10.4151 10.4170 10.4170 10.9347 10.9347 10.9385 10.9385 13.0935 13.0936 k = 0.4815 0.4815-0.0000 ( 5904 PWs) bands (ev): -17.7523 -17.7523 -17.7518 -17.7518 -4.7345 -4.7345 -4.7311 -4.7311 -3.8661 -3.8661 -3.8616 -3.8616 -3.2221 -3.2221 -3.1678 -3.1678 -2.7983 -2.7983 -2.7231 -2.7231 -2.1796 -2.1796 -2.1556 -2.1556 4.3315 4.3315 4.3388 4.3388 6.2377 6.2377 6.2838 6.2838 6.4637 6.4637 6.5277 6.5277 7.7667 7.7667 7.7699 7.7699 8.1420 8.1420 8.1537 8.1537 8.6688 8.6688 8.6842 8.6842 10.4129 10.4129 10.4200 10.4200 10.9454 10.9454 10.9529 10.9529 13.0874 13.0876 k = 0.4722 0.4722-0.0000 ( 5904 PWs) bands (ev): -17.7529 -17.7529 -17.7519 -17.7519 -4.7366 -4.7366 -4.7316 -4.7316 -3.8728 -3.8728 -3.8637 -3.8637 -3.2395 -3.2395 -3.1619 -3.1619 -2.8078 -2.8078 -2.6993 -2.6993 -2.1781 -2.1781 -2.1423 -2.1423 4.3331 4.3331 4.3491 4.3491 6.1946 6.1946 6.2779 6.2779 6.4563 6.4563 6.5788 6.5788 7.7628 7.7628 7.7683 7.7683 8.1293 8.1293 8.1553 8.1553 8.6480 8.6480 8.6821 8.6821 10.4100 10.4100 10.4251 10.4251 10.9638 10.9638 10.9754 10.9754 13.0769 13.0771 k = 0.4630 0.4630-0.0000 ( 5908 PWs) bands (ev): -17.7538 -17.7538 -17.7519 -17.7519 -4.7391 -4.7391 -4.7326 -4.7326 -3.8821 -3.8821 -3.8667 -3.8667 -3.2571 -3.2571 -3.1602 -3.1602 -2.8123 -2.8123 -2.6749 -2.6749 -2.1736 -2.1736 -2.1262 -2.1262 4.3353 4.3353 4.3634 4.3634 6.1494 6.1494 6.2698 6.2698 6.4461 6.4461 6.6352 6.6352 7.7574 7.7574 7.7660 7.7660 8.1117 8.1117 8.1575 8.1575 8.6198 8.6198 8.6792 8.6792 10.4075 10.4075 10.4322 10.4322 10.9888 10.9888 11.0056 11.0056 13.0626 13.0626 k = 0.4537 0.4537-0.0000 ( 5892 PWs) bands (ev): -17.7548 -17.7548 -17.7519 -17.7519 -4.7421 -4.7421 -4.7341 -4.7341 -3.8938 -3.8938 -3.8704 -3.8704 -3.2746 -3.2746 -3.1627 -3.1627 -2.8118 -2.8118 -2.6507 -2.6507 -2.1660 -2.1660 -2.1073 -2.1073 4.3381 4.3381 4.3817 4.3817 6.1042 6.1042 6.2594 6.2594 6.4333 6.4333 6.6948 6.6948 7.7506 7.7506 7.7630 7.7630 8.0893 8.0893 8.1602 8.1602 8.5849 8.5849 8.6755 8.6755 10.4064 10.4064 10.4414 10.4414 11.0194 11.0194 11.0432 11.0432 13.0445 13.0445 k = 0.4444 0.4444-0.0000 ( 5892 PWs) bands (ev): -17.7561 -17.7561 -17.7519 -17.7519 -4.7454 -4.7454 -4.7361 -4.7361 -3.9080 -3.9080 -3.8749 -3.8749 -3.2916 -3.2916 -3.1691 -3.1691 -2.8070 -2.8070 -2.6271 -2.6271 -2.1552 -2.1552 -2.0856 -2.0856 4.3415 4.3415 4.4040 4.4040 6.0599 6.0599 6.2469 6.2469 6.4180 6.4180 6.7565 6.7565 7.7422 7.7422 7.7594 7.7594 8.0623 8.0623 8.1634 8.1634 8.5444 8.5444 8.6710 8.6710 10.4077 10.4077 10.4525 10.4525 11.0546 11.0546 11.0876 11.0876 13.0228 13.0228 k = 0.4352 0.4352-0.0000 ( 5892 PWs) bands (ev): -17.7577 -17.7577 -17.7519 -17.7519 -4.7491 -4.7491 -4.7384 -4.7384 -3.9244 -3.9244 -3.8801 -3.8801 -3.3079 -3.3079 -3.1785 -3.1785 -2.7985 -2.7985 -2.6044 -2.6044 -2.1413 -2.1413 -2.0615 -2.0615 4.3455 4.3455 4.4302 4.4302 6.0170 6.0170 6.2323 6.2323 6.4005 6.4005 6.8199 6.8199 7.7321 7.7321 7.7553 7.7553 8.0312 8.0312 8.1670 8.1670 8.4992 8.4992 8.6658 8.6658 10.4123 10.4123 10.4658 10.4658 11.0935 11.0935 11.1385 11.1385 12.9977 12.9977 k = 0.4259 0.4259-0.0000 ( 5884 PWs) bands (ev): -17.7594 -17.7594 -17.7520 -17.7520 -4.7530 -4.7530 -4.7411 -4.7411 -3.9431 -3.9431 -3.8860 -3.8860 -3.3233 -3.3233 -3.1899 -3.1899 -2.7875 -2.7875 -2.5830 -2.5830 -2.1242 -2.1242 -2.0351 -2.0351 4.3500 4.3500 4.4601 4.4601 5.9756 5.9756 6.2158 6.2158 6.3811 6.3811 6.8845 6.8845 7.7203 7.7203 7.7505 7.7505 7.9963 7.9963 8.1708 8.1708 8.4504 8.4504 8.6598 8.6598 10.4206 10.4206 10.4810 10.4810 11.1355 11.1355 11.1951 11.1951 12.9695 12.9695 k = 0.4167 0.4167-0.0000 ( 5874 PWs) bands (ev): -17.7614 -17.7614 -17.7520 -17.7520 -4.7573 -4.7573 -4.7441 -4.7441 -3.9638 -3.9638 -3.8926 -3.8926 -3.3376 -3.3376 -3.2026 -3.2026 -2.7748 -2.7748 -2.5629 -2.5629 -2.1042 -2.1042 -2.0067 -2.0067 4.3550 4.3550 4.4937 4.4937 5.9361 5.9361 6.1976 6.1976 6.3600 6.3600 6.9502 6.9502 7.7065 7.7065 7.7451 7.7451 7.9584 7.9584 8.1745 8.1745 8.3994 8.3994 8.6530 8.6530 10.4332 10.4332 10.4983 10.4983 11.1802 11.1802 11.2568 11.2568 12.9385 12.9385 k = 0.4074 0.4074-0.0000 ( 5888 PWs) bands (ev): -17.7636 -17.7636 -17.7521 -17.7521 -4.7617 -4.7617 -4.7472 -4.7472 -3.9865 -3.9865 -3.8997 -3.8997 -3.3509 -3.3509 -3.2158 -3.2158 -2.7612 -2.7612 -2.5442 -2.5442 -2.0813 -2.0813 -1.9766 -1.9766 4.3605 4.3605 4.5308 4.5308 5.8985 5.8985 6.1776 6.1776 6.3374 6.3374 7.0165 7.0165 7.6907 7.6907 7.7387 7.7387 7.9185 7.9185 8.1778 8.1778 8.3476 8.3476 8.6455 8.6455 10.4502 10.4502 10.5176 10.5176 11.2275 11.2275 11.3229 11.3229 12.9050 12.9050 k = 0.3981 0.3981-0.0000 ( 5896 PWs) bands (ev): -17.7660 -17.7660 -17.7521 -17.7521 -4.7664 -4.7664 -4.7504 -4.7504 -4.0109 -4.0109 -3.9075 -3.9075 -3.3629 -3.3629 -3.2291 -3.2291 -2.7473 -2.7473 -2.5269 -2.5269 -2.0559 -2.0559 -1.9452 -1.9452 4.3665 4.3665 4.5714 4.5714 5.8629 5.8629 6.1562 6.1562 6.3137 6.3137 7.0835 7.0835 7.6727 7.6727 7.7307 7.7307 7.8781 7.8781 8.1793 8.1793 8.2972 8.2972 8.6372 8.6372 10.4716 10.4716 10.5390 10.5390 11.2772 11.2772 11.3929 11.3929 12.8695 12.8695 k = 0.3889 0.3889-0.0000 ( 5888 PWs) bands (ev): -17.7686 -17.7686 -17.7522 -17.7522 -4.7713 -4.7713 -4.7535 -4.7535 -4.0370 -4.0370 -3.9157 -3.9157 -3.3738 -3.3738 -3.2418 -3.2418 -2.7334 -2.7334 -2.5109 -2.5109 -2.0282 -2.0282 -1.9128 -1.9128 4.3729 4.3729 4.6153 4.6153 5.8294 5.8294 6.1333 6.1333 6.2891 6.2891 7.1507 7.1507 7.6520 7.6520 7.7197 7.7197 7.8394 7.8394 8.1751 8.1751 8.2531 8.2531 8.6282 8.6282 10.4974 10.4974 10.5623 10.5623 11.3292 11.3292 11.4661 11.4661 12.8323 12.8323 k = 0.3796 0.3796-0.0000 ( 5888 PWs) bands (ev): -17.7714 -17.7714 -17.7523 -17.7523 -4.7764 -4.7764 -4.7563 -4.7563 -4.0644 -4.0644 -3.9244 -3.9244 -3.3834 -3.3834 -3.2539 -3.2539 -2.7199 -2.7199 -2.4960 -2.4960 -1.9986 -1.9986 -1.8800 -1.8800 4.3796 4.3796 4.6623 4.6623 5.7979 5.7979 6.1092 6.1092 6.2639 6.2639 7.2180 7.2180 7.6283 7.6283 7.7031 7.7031 7.8063 7.8063 8.1542 8.1542 8.2272 8.2272 8.6184 8.6184 10.5273 10.5273 10.5877 10.5877 11.3837 11.3837 11.5417 11.5417 12.7940 12.7940 k = 0.3704 0.3704-0.0000 ( 5880 PWs) bands (ev): -17.7743 -17.7743 -17.7524 -17.7524 -4.7816 -4.7816 -4.7589 -4.7589 -4.0932 -4.0932 -3.9335 -3.9335 -3.3918 -3.3918 -3.2650 -3.2650 -2.7070 -2.7070 -2.4821 -2.4821 -1.9675 -1.9675 -1.8470 -1.8470 4.3867 4.3867 4.7124 4.7124 5.7686 5.7686 6.0840 6.0840 6.2384 6.2384 7.2850 7.2850 7.6013 7.6013 7.6785 7.6785 7.7822 7.7822 8.1159 8.1159 8.2211 8.2211 8.6078 8.6078 10.5610 10.5610 10.6149 10.6149 11.4407 11.4407 11.6193 11.6193 12.7550 12.7550 k = 0.3611 0.3611-0.0000 ( 5884 PWs) bands (ev): -17.7774 -17.7774 -17.7525 -17.7525 -4.7870 -4.7870 -4.7610 -4.7610 -4.1230 -4.1230 -3.9430 -3.9430 -3.3989 -3.3989 -3.2751 -3.2751 -2.6946 -2.6946 -2.4690 -2.4690 -1.9353 -1.9353 -1.8143 -1.8143 4.3941 4.3941 4.7653 4.7653 5.7415 5.7415 6.0579 6.0579 6.2127 6.2127 7.3514 7.3514 7.5708 7.5708 7.6472 7.6472 7.7673 7.7673 8.0730 8.0730 8.2225 8.2225 8.5963 8.5963 10.5981 10.5981 10.6442 10.6442 11.5004 11.5004 11.6980 11.6980 12.7158 12.7158 k = 0.3519 0.3519-0.0000 ( 5874 PWs) bands (ev): -17.7807 -17.7807 -17.7526 -17.7526 -4.7926 -4.7926 -4.7625 -4.7625 -4.1537 -4.1537 -3.9528 -3.9528 -3.4049 -3.4049 -3.2840 -3.2840 -2.6830 -2.6830 -2.4566 -2.4566 -1.9025 -1.9025 -1.7823 -1.7823 4.4019 4.4019 4.8209 4.8209 5.7166 5.7166 6.0309 6.0309 6.1870 6.1870 7.4159 7.4159 7.5380 7.5380 7.6131 7.6131 7.7585 7.7585 8.0311 8.0311 8.2264 8.2264 8.5840 8.5840 10.6381 10.6381 10.6753 10.6753 11.5628 11.5628 11.7774 11.7774 12.6770 12.6770 k = 0.3426 0.3426-0.0000 ( 5874 PWs) bands (ev): -17.7841 -17.7841 -17.7527 -17.7527 -4.7982 -4.7982 -4.7634 -4.7634 -4.1851 -4.1851 -3.9629 -3.9629 -3.4096 -3.4096 -3.2916 -3.2916 -2.6720 -2.6720 -2.4447 -2.4447 -1.8695 -1.8695 -1.7514 -1.7514 4.4099 4.4099 4.8791 4.8791 5.6939 5.6939 6.0032 6.0032 6.1615 6.1615 7.4663 7.4663 7.5153 7.5153 7.5792 7.5792 7.7533 7.7533 7.9920 7.9920 8.2312 8.2312 8.5707 8.5707 10.6805 10.6805 10.7084 10.7084 11.6282 11.6282 11.8566 11.8566 12.6391 12.6391 k = 0.3333 0.3333-0.0000 ( 5878 PWs) bands (ev): -17.7877 -17.7877 -17.7528 -17.7528 -4.8040 -4.8040 -4.7636 -4.7636 -4.2170 -4.2170 -3.9733 -3.9733 -3.4132 -3.4132 -3.2981 -3.2981 -2.6617 -2.6617 -2.4334 -2.4334 -1.8367 -1.8367 -1.7219 -1.7219 4.4182 4.4182 4.9397 4.9397 5.6735 5.6735 5.9750 5.9750 6.1363 6.1363 7.4495 7.4495 7.5450 7.5450 7.5591 7.5591 7.7502 7.7502 7.9564 7.9564 8.2365 8.2365 8.5563 8.5563 10.7247 10.7247 10.7436 10.7436 11.6966 11.6966 11.9350 11.9350 12.6027 12.6027 k = 0.3241 0.3241-0.0000 ( 5878 PWs) bands (ev): -17.7914 -17.7914 -17.7529 -17.7529 -4.8098 -4.8098 -4.7631 -4.7631 -4.2492 -4.2492 -3.9840 -3.9840 -3.4156 -3.4156 -3.3033 -3.3033 -2.6520 -2.6520 -2.4224 -2.4224 -1.8046 -1.8046 -1.6941 -1.6941 4.4267 4.4267 5.0024 5.0024 5.6553 5.6553 5.9464 5.9464 6.1115 6.1115 7.4130 7.4130 7.5149 7.5149 7.6192 7.6192 7.7487 7.7487 7.9243 7.9243 8.2421 8.2421 8.5408 8.5408 10.7694 10.7694 10.7814 10.7814 11.7681 11.7681 12.0117 12.0117 12.5683 12.5683 k = 0.3148 0.3148-0.0000 ( 5882 PWs) bands (ev): -17.7952 -17.7952 -17.7531 -17.7531 -4.8156 -4.8156 -4.7617 -4.7617 -4.2815 -4.2815 -3.9948 -3.9948 -3.4169 -3.4169 -3.3072 -3.3072 -2.6428 -2.6428 -2.4117 -2.4117 -1.7736 -1.7736 -1.6684 -1.6684 4.4356 4.4356 5.0672 5.0672 5.6394 5.6394 5.9174 5.9174 6.0871 6.0871 7.3762 7.3762 7.4859 7.4859 7.6807 7.6807 7.7486 7.7486 7.8956 7.8956 8.2479 8.2479 8.5241 8.5241 10.8123 10.8123 10.8235 10.8235 11.8426 11.8426 12.0860 12.0860 12.5366 12.5366 k = 0.3056 0.3056-0.0000 ( 5884 PWs) bands (ev): -17.7991 -17.7991 -17.7532 -17.7532 -4.8215 -4.8215 -4.7596 -4.7596 -4.3135 -4.3135 -4.0058 -4.0058 -3.4171 -3.4171 -3.3101 -3.3101 -2.6341 -2.6341 -2.4013 -2.4013 -1.7441 -1.7441 -1.6450 -1.6450 4.4447 4.4447 5.1338 5.1338 5.6257 5.6257 5.8882 5.8882 6.0631 6.0631 7.3416 7.3416 7.4595 7.4595 7.7389 7.7389 7.7519 7.7519 7.8700 7.8700 8.2538 8.2538 8.5060 8.5060 10.8533 10.8533 10.8694 10.8694 11.9200 11.9200 12.1571 12.1571 12.5081 12.5081 k = 0.2963 0.2963-0.0000 ( 5876 PWs) bands (ev): -17.8030 -17.8030 -17.7534 -17.7534 -4.8276 -4.8276 -4.7565 -4.7565 -4.3451 -4.3451 -4.0170 -4.0170 -3.4162 -3.4162 -3.3117 -3.3117 -2.6259 -2.6259 -2.3911 -2.3911 -1.7164 -1.7164 -1.6240 -1.6240 4.4542 4.4542 5.2021 5.2021 5.6143 5.6143 5.8590 5.8590 6.0393 6.0393 7.3105 7.3105 7.4363 7.4363 7.7500 7.7500 7.8016 7.8016 7.8474 7.8474 8.2598 8.2598 8.4864 8.4864 10.8945 10.8945 10.9161 10.9161 11.9998 11.9998 12.2239 12.2239 12.4833 12.4833 k = 0.2870 0.2870-0.0000 ( 5882 PWs) bands (ev): -17.8071 -17.8071 -17.7536 -17.7536 -4.8338 -4.8338 -4.7526 -4.7526 -4.3760 -4.3760 -4.0283 -4.0283 -3.4142 -3.4142 -3.3123 -3.3123 -2.6179 -2.6179 -2.3812 -2.3812 -1.6910 -1.6910 -1.6057 -1.6057 4.4641 4.4641 5.2719 5.2719 5.6051 5.6051 5.8298 5.8298 6.0158 6.0158 7.2838 7.2838 7.4171 7.4171 7.7529 7.7529 7.8266 7.8266 7.8592 7.8592 8.2660 8.2660 8.4653 8.4653 10.9367 10.9367 10.9621 10.9621 12.0812 12.0812 12.2856 12.2856 12.4631 12.4631 k = 0.2778 0.2778-0.0000 ( 5878 PWs) bands (ev): -17.8112 -17.8112 -17.7538 -17.7538 -4.8404 -4.8404 -4.7478 -4.7478 -4.4058 -4.4058 -4.0397 -4.0397 -3.4113 -3.4113 -3.3118 -3.3118 -2.6102 -2.6102 -2.3716 -2.3716 -1.6683 -1.6683 -1.5901 -1.5901 4.4745 4.4745 5.3429 5.3429 5.5982 5.5982 5.8007 5.8007 5.9923 5.9923 7.2619 7.2619 7.4026 7.4026 7.7564 7.7564 7.8088 7.8088 7.9142 7.9142 8.2724 8.2724 8.4425 8.4425 10.9797 10.9797 11.0064 11.0064 12.1617 12.1617 12.3408 12.3408 12.4480 12.4480 k = 0.2685 0.2685-0.0000 ( 5866 PWs) bands (ev): -17.8153 -17.8153 -17.7539 -17.7539 -4.8475 -4.8475 -4.7422 -4.7422 -4.4342 -4.4342 -4.0512 -4.0512 -3.4073 -3.4073 -3.3103 -3.3103 -2.6028 -2.6028 -2.3621 -2.3621 -1.6485 -1.6485 -1.5773 -1.5773 4.4854 4.4854 5.4149 5.4149 5.5936 5.5936 5.7718 5.7718 5.9688 5.9688 7.2455 7.2455 7.3931 7.3931 7.7605 7.7605 7.7929 7.7929 7.9672 7.9672 8.2790 8.2790 8.4180 8.4180 11.0234 11.0234 11.0479 11.0479 12.2356 12.2356 12.3871 12.3871 12.4402 12.4402 k = 0.2593 0.2593-0.0000 ( 5861 PWs) bands (ev): -17.8195 -17.8195 -17.7542 -17.7542 -4.8553 -4.8553 -4.7357 -4.7357 -4.4608 -4.4608 -4.0627 -4.0627 -3.4024 -3.4024 -3.3078 -3.3078 -2.5954 -2.5954 -2.3530 -2.3530 -1.6322 -1.6322 -1.5672 -1.5672 4.4968 4.4968 5.4877 5.4877 5.5913 5.5913 5.7434 5.7434 5.9452 5.9452 7.2351 7.2351 7.3893 7.3893 7.7647 7.7647 7.7795 7.7795 8.0178 8.0178 8.2858 8.2858 8.3918 8.3918 11.0676 11.0676 11.0854 11.0854 12.2864 12.2864 12.4144 12.4144 12.4484 12.4484 k = 0.2500 0.2500-0.0000 ( 5867 PWs) bands (ev): -17.8237 -17.8237 -17.7544 -17.7544 -4.8640 -4.8640 -4.7285 -4.7285 -4.4852 -4.4852 -4.0742 -4.0742 -3.3965 -3.3965 -3.3045 -3.3045 -2.5882 -2.5882 -2.3441 -2.3441 -1.6197 -1.6197 -1.5597 -1.5597 4.5089 4.5089 5.5598 5.5598 5.5922 5.5922 5.7156 5.7156 5.9213 5.9213 7.2308 7.2308 7.3914 7.3914 7.7625 7.7625 7.7748 7.7748 8.0653 8.0653 8.2929 8.2929 8.3641 8.3641 11.1111 11.1111 11.1181 11.1181 12.2912 12.2912 12.4229 12.4229 12.4716 12.4716 k = 0.2407 0.2407-0.0000 ( 5859 PWs) bands (ev): -17.8279 -17.8279 -17.7546 -17.7546 -4.8739 -4.8739 -4.7207 -4.7207 -4.5069 -4.5069 -4.0857 -4.0857 -3.3897 -3.3897 -3.3003 -3.3003 -2.5810 -2.5810 -2.3356 -2.3356 -1.6113 -1.6113 -1.5545 -1.5545 4.5218 4.5218 5.5909 5.5909 5.6349 5.6349 5.6902 5.6902 5.8972 5.8972 7.2331 7.2331 7.3996 7.3996 7.7524 7.7524 7.7802 7.7802 8.1092 8.1092 8.3003 8.3003 8.3358 8.3358 11.1404 11.1404 11.1572 11.1572 12.2615 12.2615 12.4316 12.4316 12.4930 12.4930 k = 0.2315 0.2315-0.0000 ( 5849 PWs) bands (ev): -17.8321 -17.8321 -17.7548 -17.7548 -4.8851 -4.8851 -4.7122 -4.7122 -4.5256 -4.5256 -4.0972 -4.0972 -3.3819 -3.3819 -3.2953 -3.2953 -2.5739 -2.5739 -2.3274 -2.3274 -1.6074 -1.6074 -1.5516 -1.5516 4.5354 4.5354 5.5956 5.5956 5.6554 5.6554 5.7160 5.7160 5.8732 5.8732 7.2420 7.2420 7.4140 7.4140 7.7427 7.7427 7.7875 7.7875 8.1471 8.1471 8.3067 8.3067 8.3102 8.3102 11.1554 11.1554 11.2000 11.2000 12.2239 12.2239 12.4448 12.4448 12.5074 12.5074 k = 0.2222 0.2222-0.0000 ( 5857 PWs) bands (ev): -17.8363 -17.8363 -17.7551 -17.7551 -4.8979 -4.8979 -4.7034 -4.7034 -4.5409 -4.5409 -4.1085 -4.1085 -3.3733 -3.3733 -3.2895 -3.2895 -2.5666 -2.5666 -2.3197 -2.3197 -1.6080 -1.6080 -1.5508 -1.5508 4.5498 4.5498 5.6018 5.6018 5.6308 5.6308 5.7853 5.7853 5.8519 5.8519 7.2575 7.2575 7.4344 7.4344 7.7340 7.7340 7.7959 7.7959 8.1725 8.1725 8.2896 8.2896 8.3165 8.3165 11.1589 11.1589 11.2412 11.2412 12.1908 12.1908 12.4170 12.4170 12.4636 12.4636 k = 0.2130 0.2130-0.0000 ( 5857 PWs) bands (ev): -17.8404 -17.8404 -17.7553 -17.7553 -4.9123 -4.9123 -4.6943 -4.6943 -4.5525 -4.5525 -4.1198 -4.1198 -3.3638 -3.3638 -3.2830 -3.2830 -2.5593 -2.5593 -2.3125 -2.3125 -1.6129 -1.6129 -1.5523 -1.5523 4.5651 4.5651 5.6051 5.6051 5.6100 5.6100 5.8117 5.8117 5.8752 5.8752 7.2797 7.2797 7.4605 7.4605 7.7266 7.7266 7.8052 7.8052 8.1721 8.1721 8.2920 8.2920 8.3252 8.3252 11.1494 11.1494 11.2790 11.2790 12.1670 12.1670 12.3027 12.3027 12.4869 12.4869 k = 0.2037 0.2037-0.0000 ( 5855 PWs) bands (ev): -17.8445 -17.8445 -17.7556 -17.7556 -4.9284 -4.9284 -4.6851 -4.6851 -4.5602 -4.5602 -4.1308 -4.1308 -3.3534 -3.3534 -3.2759 -3.2759 -2.5519 -2.5519 -2.3058 -2.3058 -1.6217 -1.6217 -1.5562 -1.5562 4.5813 4.5813 5.5799 5.5799 5.6199 5.6199 5.7900 5.7900 5.9468 5.9468 7.3084 7.3084 7.4920 7.4920 7.7205 7.7205 7.8155 7.8155 8.1469 8.1469 8.3147 8.3147 8.3344 8.3344 11.1264 11.1264 11.3113 11.3113 12.1509 12.1509 12.2012 12.2012 12.5025 12.5025 k = 0.1944 0.1944-0.0000 ( 5863 PWs) bands (ev): -17.8485 -17.8485 -17.7558 -17.7558 -4.9459 -4.9459 -4.6760 -4.6760 -4.5642 -4.5642 -4.1417 -4.1417 -3.3421 -3.3421 -3.2681 -3.2681 -2.5443 -2.5443 -2.2997 -2.2997 -1.6342 -1.6342 -1.5628 -1.5628 4.5983 4.5983 5.5554 5.5554 5.6317 5.6317 5.7646 5.7646 6.0224 6.0224 7.3432 7.3432 7.5281 7.5281 7.7161 7.7161 7.8269 7.8269 8.1100 8.1100 8.3432 8.3432 8.3461 8.3461 11.0903 11.0903 11.3349 11.3349 12.0960 12.0960 12.1624 12.1624 12.4933 12.4933 k = 0.1852 0.1852-0.0000 ( 5861 PWs) bands (ev): -17.8524 -17.8524 -17.7561 -17.7561 -4.9645 -4.9645 -4.6672 -4.6672 -4.5645 -4.5645 -4.1524 -4.1524 -3.3300 -3.3300 -3.2597 -3.2597 -2.5366 -2.5366 -2.2943 -2.2943 -1.6497 -1.6497 -1.5721 -1.5721 4.6162 4.6162 5.5316 5.5316 5.6448 5.6448 5.7387 5.7387 6.0987 6.0987 7.3836 7.3836 7.5675 7.5675 7.7141 7.7141 7.8397 7.8397 8.0676 8.0676 8.3543 8.3543 8.3774 8.3774 11.0424 11.0424 11.3452 11.3452 12.0224 12.0224 12.1692 12.1692 12.4780 12.4780 k = 0.1759 0.1759-0.0000 ( 5865 PWs) bands (ev): -17.8562 -17.8562 -17.7563 -17.7563 -4.9841 -4.9841 -4.6588 -4.6588 -4.5614 -4.5614 -4.1628 -4.1628 -3.3171 -3.3171 -3.2508 -3.2508 -2.5287 -2.5287 -2.2898 -2.2898 -1.6680 -1.6680 -1.5842 -1.5842 4.6349 4.6349 5.5086 5.5086 5.6582 5.6582 5.7140 5.7140 6.1754 6.1754 7.4290 7.4290 7.6076 7.6076 7.7166 7.7166 7.8542 7.8542 8.0218 8.0218 8.3652 8.3652 8.4092 8.4092 10.9846 10.9846 11.3371 11.3371 11.9688 11.9688 12.1854 12.1854 12.4600 12.4600 k = 0.1667 0.1667-0.0000 ( 5863 PWs) bands (ev): -17.8599 -17.8599 -17.7566 -17.7566 -5.0042 -5.0042 -4.6507 -4.6507 -4.5554 -4.5554 -4.1730 -4.1730 -3.3034 -3.3034 -3.2413 -3.2413 -2.5205 -2.5205 -2.2861 -2.2861 -1.6886 -1.6886 -1.5988 -1.5988 4.6544 4.6544 5.4865 5.4865 5.6644 5.6644 5.6981 5.6981 6.2521 6.2521 7.4785 7.4785 7.6419 7.6419 7.7291 7.7291 7.8712 7.8712 7.9736 7.9736 8.3767 8.3767 8.4402 8.4402 10.9188 10.9188 11.3077 11.3077 11.9398 11.9398 12.2065 12.2065 12.4406 12.4406 k = 0.1574 0.1574-0.0000 ( 5851 PWs) bands (ev): -17.8635 -17.8635 -17.7568 -17.7568 -5.0246 -5.0246 -4.6428 -4.6428 -4.5470 -4.5470 -4.1828 -4.1828 -3.2889 -3.2889 -3.2314 -3.2314 -2.5121 -2.5121 -2.2834 -2.2834 -1.7112 -1.7112 -1.6160 -1.6160 4.6746 4.6746 5.4653 5.4653 5.6481 5.6481 5.7063 5.7063 6.3289 6.3289 7.5307 7.5307 7.6618 7.6618 7.7592 7.7592 7.8917 7.8917 7.9236 7.9236 8.3889 8.3889 8.4701 8.4701 10.8467 10.8467 11.2585 11.2585 11.9342 11.9342 12.2291 12.2291 12.4209 12.4209 k = 0.1481 0.1481-0.0000 ( 5847 PWs) bands (ev): -17.8670 -17.8670 -17.7571 -17.7571 -5.0449 -5.0449 -4.6350 -4.6350 -4.5369 -4.5369 -4.1923 -4.1923 -3.2737 -3.2737 -3.2211 -3.2211 -2.5036 -2.5036 -2.2818 -2.2818 -1.7353 -1.7353 -1.6354 -1.6354 4.6954 4.6954 5.4450 5.4450 5.6233 5.6233 5.7246 5.7246 6.4055 6.4055 7.5837 7.5837 7.6698 7.6698 7.8036 7.8036 7.8724 7.8724 7.9174 7.9174 8.4016 8.4016 8.4988 8.4988 10.7698 10.7698 11.1947 11.1947 11.9467 11.9467 12.2494 12.2494 12.4015 12.4015 k = 0.1389 0.1389-0.0000 ( 5857 PWs) bands (ev): -17.8703 -17.8703 -17.7573 -17.7573 -5.0650 -5.0650 -4.6272 -4.6272 -4.5254 -4.5254 -4.2014 -4.2014 -3.2578 -3.2578 -3.2103 -3.2103 -2.4948 -2.4948 -2.2813 -2.2813 -1.7606 -1.7606 -1.6568 -1.6568 4.7167 4.7167 5.4257 5.4257 5.5972 5.5972 5.7459 5.7459 6.4817 6.4817 7.6346 7.6346 7.6732 7.6732 7.8196 7.8196 7.8550 7.8550 7.9502 7.9502 8.4150 8.4150 8.5263 8.5263 10.6893 10.6893 11.1222 11.1222 11.9715 11.9715 12.2633 12.2633 12.3827 12.3827 k = 0.1296 0.1296-0.0000 ( 5849 PWs) bands (ev): -17.8734 -17.8734 -17.7575 -17.7575 -5.0845 -5.0845 -4.6193 -4.6193 -4.5131 -4.5131 -4.2101 -4.2101 -3.2413 -3.2413 -3.1992 -3.1992 -2.4858 -2.4858 -2.2821 -2.2821 -1.7867 -1.7867 -1.6798 -1.6798 4.7385 4.7385 5.4074 5.4074 5.5709 5.5709 5.7689 5.7689 6.5574 6.5574 7.6696 7.6696 7.6862 7.6862 7.7673 7.7673 7.9086 7.9086 7.9917 7.9917 8.4289 8.4289 8.5525 8.5525 10.6063 10.6063 11.0455 11.0455 12.0039 12.0039 12.2665 12.2665 12.3647 12.3647 k = 0.1204 0.1204-0.0000 ( 5853 PWs) bands (ev): -17.8764 -17.8764 -17.7578 -17.7578 -5.1032 -5.1032 -4.6114 -4.6114 -4.5003 -4.5003 -4.2184 -4.2184 -3.2244 -3.2244 -3.1878 -3.1878 -2.4768 -2.4768 -2.2841 -2.2841 -1.8133 -1.8133 -1.7040 -1.7040 4.7606 4.7606 5.3900 5.3900 5.5451 5.5451 5.7930 5.7930 6.6322 6.6322 7.6719 7.6719 7.7140 7.7140 7.7250 7.7250 7.9659 7.9659 8.0412 8.0412 8.4434 8.4434 8.5774 8.5774 10.5215 10.5215 10.9678 10.9678 12.0405 12.0405 12.2555 12.2555 12.3481 12.3481 k = 0.1111 0.1111-0.0000 ( 5849 PWs) bands (ev): -17.8792 -17.8792 -17.7580 -17.7580 -5.1211 -5.1211 -4.6035 -4.6035 -4.4873 -4.4873 -4.2262 -4.2262 -3.2072 -3.2072 -3.1761 -3.1761 -2.4677 -2.4677 -2.2873 -2.2873 -1.8403 -1.8403 -1.7288 -1.7288 4.7829 4.7829 5.3735 5.3735 5.5197 5.5197 5.8182 5.8182 6.7058 6.7058 7.6580 7.6580 7.6770 7.6770 7.7557 7.7557 8.0281 8.0281 8.0963 8.0963 8.4584 8.4584 8.6011 8.6011 10.4357 10.4357 10.8913 10.8913 12.0791 12.0791 12.2299 12.2299 12.3349 12.3349 k = 0.1019 0.1019-0.0000 ( 5837 PWs) bands (ev): -17.8819 -17.8819 -17.7582 -17.7582 -5.1380 -5.1380 -4.5958 -4.5958 -4.4744 -4.4744 -4.2336 -4.2336 -3.1901 -3.1901 -3.1639 -3.1639 -2.4590 -2.4590 -2.2914 -2.2914 -1.8674 -1.8674 -1.7537 -1.7537 4.8052 4.8052 5.3579 5.3579 5.4951 5.4951 5.8439 5.8439 6.7777 6.7777 7.6088 7.6088 7.6752 7.6752 7.7801 7.7801 8.0952 8.0952 8.1542 8.1542 8.4739 8.4739 8.6234 8.6234 10.3495 10.3495 10.8173 10.8173 12.1178 12.1178 12.1936 12.1936 12.3263 12.3263 k = 0.0926 0.0926-0.0000 ( 5843 PWs) bands (ev): -17.8843 -17.8843 -17.7584 -17.7584 -5.1538 -5.1538 -4.5882 -4.5882 -4.4619 -4.4619 -4.2404 -4.2404 -3.1736 -3.1736 -3.1510 -3.1510 -2.4508 -2.4508 -2.2959 -2.2959 -1.8946 -1.8946 -1.7779 -1.7779 4.8275 4.8275 5.3432 5.3432 5.4715 5.4715 5.8699 5.8699 6.8474 6.8474 7.5588 7.5588 7.6755 7.6755 7.7988 7.7988 8.1652 8.1652 8.2135 8.2135 8.4899 8.4899 8.6443 8.6443 10.2637 10.2637 10.7469 10.7469 12.1440 12.1440 12.1626 12.1626 12.3221 12.3221 k = 0.0833 0.0833-0.0000 ( 5851 PWs) bands (ev): -17.8865 -17.8865 -17.7585 -17.7585 -5.1682 -5.1682 -4.5809 -4.5809 -4.4500 -4.4500 -4.2467 -4.2467 -3.1585 -3.1585 -3.1370 -3.1370 -2.4439 -2.4439 -2.3000 -2.3000 -1.9219 -1.9219 -1.8009 -1.8009 4.8494 4.8494 5.3292 5.3292 5.4490 5.4490 5.8959 5.8959 6.9143 6.9143 7.5106 7.5106 7.6761 7.6761 7.8132 7.8132 8.2344 8.2344 8.2743 8.2743 8.5063 8.5063 8.6638 8.6638 10.1788 10.1788 10.6810 10.6810 12.1034 12.1034 12.1940 12.1940 12.3221 12.3221 k = 0.0741 0.0741-0.0000 ( 5855 PWs) bands (ev): -17.8885 -17.8885 -17.7587 -17.7587 -5.1814 -5.1814 -4.5740 -4.5740 -4.4387 -4.4387 -4.2524 -4.2524 -3.1453 -3.1453 -3.1218 -3.1218 -2.4390 -2.4390 -2.3027 -2.3027 -1.9495 -1.9495 -1.8219 -1.8219 4.8709 4.8709 5.3160 5.3160 5.4280 5.4280 5.9213 5.9213 6.9776 6.9776 7.4647 7.4647 7.6768 7.6768 7.8243 7.8243 8.2970 8.2970 8.3393 8.3393 8.5231 8.5231 8.6818 8.6818 10.0958 10.0958 10.6202 10.6202 12.0587 12.0587 12.2267 12.2267 12.3265 12.3265 k = 0.0648 0.0648-0.0000 ( 5849 PWs) bands (ev): -17.8903 -17.8903 -17.7589 -17.7589 -5.1932 -5.1932 -4.5676 -4.5676 -4.4284 -4.4284 -4.2575 -4.2575 -3.1339 -3.1339 -3.1059 -3.1059 -2.4368 -2.4368 -2.3027 -2.3027 -1.9773 -1.9773 -1.8405 -1.8405 4.8917 4.8917 5.3033 5.3033 5.4087 5.4087 5.9458 5.9458 7.0365 7.0365 7.4221 7.4221 7.6776 7.6776 7.8329 7.8329 8.3494 8.3494 8.4088 8.4088 8.5404 8.5404 8.6983 8.6983 10.0153 10.0153 10.5651 10.5651 12.0156 12.0156 12.2554 12.2554 12.3348 12.3348 k = 0.0556 0.0556-0.0000 ( 5853 PWs) bands (ev): -17.8919 -17.8919 -17.7590 -17.7590 -5.2035 -5.2035 -4.5619 -4.5619 -4.4191 -4.4191 -4.2620 -4.2620 -3.1240 -3.1240 -3.0900 -3.0900 -2.4378 -2.4378 -2.2990 -2.2990 -2.0053 -2.0053 -1.8563 -1.8563 4.9115 4.9115 5.2911 5.2911 5.3915 5.3915 5.9689 5.9689 7.0901 7.0901 7.3833 7.3833 7.6783 7.6783 7.8394 7.8394 8.3928 8.3928 8.4787 8.4787 8.5582 8.5582 8.7135 8.7135 9.9386 9.9386 10.5161 10.5161 11.9757 11.9757 12.2796 12.2796 12.3456 12.3456 k = 0.0463 0.0463-0.0000 ( 5857 PWs) bands (ev): -17.8932 -17.8932 -17.7591 -17.7591 -5.2123 -5.2123 -4.5568 -4.5568 -4.4111 -4.4111 -4.2659 -4.2659 -3.1156 -3.1156 -3.0751 -3.0751 -2.4418 -2.4418 -2.2914 -2.2914 -2.0331 -2.0331 -1.8694 -1.8694 4.9298 4.9298 5.2795 5.2795 5.3766 5.3766 5.9899 5.9899 7.1371 7.1371 7.3494 7.3494 7.6791 7.6791 7.8443 7.8443 8.4280 8.4280 8.5450 8.5450 8.5763 8.5763 8.7274 8.7274 9.8670 9.8670 10.4738 10.4738 11.9400 11.9400 12.2996 12.2996 12.3537 12.3537 k = 0.0370 0.0370-0.0000 ( 5857 PWs) bands (ev): -17.8943 -17.8943 -17.7592 -17.7592 -5.2195 -5.2195 -4.5525 -4.5525 -4.4043 -4.4043 -4.2691 -4.2691 -3.1086 -3.1086 -3.0616 -3.0616 -2.4476 -2.4476 -2.2804 -2.2804 -2.0602 -2.0602 -1.8798 -1.8798 4.9463 4.9463 5.2688 5.2688 5.3644 5.3644 6.0082 6.0082 7.1763 7.1763 7.3214 7.3214 7.6797 7.6797 7.8478 7.8478 8.4555 8.4555 8.5929 8.5929 8.6053 8.6053 8.7407 8.7407 9.8024 9.8024 10.4385 10.4385 11.9094 11.9094 12.3166 12.3166 12.3512 12.3512 k = 0.0278 0.0278-0.0000 ( 5853 PWs) bands (ev): -17.8952 -17.8952 -17.7593 -17.7593 -5.2252 -5.2252 -4.5492 -4.5492 -4.3989 -4.3989 -4.2716 -4.2716 -3.1031 -3.1031 -3.0504 -3.0504 -2.4538 -2.4538 -2.2671 -2.2671 -2.0857 -2.0857 -1.8876 -1.8876 4.9603 4.9603 5.2592 5.2592 5.3549 5.3549 6.0232 6.0232 7.2058 7.2058 7.3010 7.3010 7.6803 7.6803 7.8502 7.8502 8.4756 8.4756 8.6089 8.6089 8.6534 8.6534 8.7543 8.7543 9.7470 9.7470 10.4107 10.4107 11.8847 11.8847 12.3307 12.3307 12.3397 12.3397 k = 0.0185 0.0185-0.0000 ( 5857 PWs) bands (ev): -17.8958 -17.8958 -17.7593 -17.7593 -5.2293 -5.2293 -4.5467 -4.5467 -4.3951 -4.3951 -4.2734 -4.2734 -3.0990 -3.0990 -3.0418 -3.0418 -2.4593 -2.4593 -2.2533 -2.2533 -2.1082 -2.1082 -1.8930 -1.8930 4.9710 4.9710 5.2516 5.2516 5.3481 5.3481 6.0344 6.0344 7.2233 7.2233 7.2901 7.2901 7.6807 7.6807 7.8517 7.8517 8.4892 8.4892 8.6215 8.6215 8.6870 8.6870 8.7689 8.7689 9.7039 9.7039 10.3905 10.3905 11.8665 11.8665 12.3279 12.3279 12.3418 12.3418 k = 0.0093 0.0093-0.0000 ( 5855 PWs) bands (ev): -17.8961 -17.8961 -17.7593 -17.7593 -5.2317 -5.2317 -4.5452 -4.5452 -4.3927 -4.3927 -4.2745 -4.2745 -3.0965 -3.0965 -3.0365 -3.0365 -2.4630 -2.4630 -2.2418 -2.2418 -2.1248 -2.1248 -1.8962 -1.8962 4.9779 4.9779 5.2466 5.2466 5.3441 5.3441 6.0414 6.0414 7.2296 7.2296 7.2879 7.2879 7.6810 7.6810 7.8526 7.8526 8.4971 8.4971 8.6295 8.6295 8.7049 8.7049 8.7818 8.7818 9.6762 9.6762 10.3784 10.3784 11.8554 11.8554 12.3201 12.3201 12.3489 12.3489 k = 0.0000 0.0000 0.0000 ( 5851 PWs) bands (ev): -17.8963 -17.8963 -17.7594 -17.7594 -5.2325 -5.2325 -4.5447 -4.5447 -4.3919 -4.3919 -4.2749 -4.2749 -3.0957 -3.0957 -3.0347 -3.0347 -2.4643 -2.4643 -2.2370 -2.2370 -2.1313 -2.1313 -1.8972 -1.8972 4.9802 4.9802 5.2449 5.2449 5.3428 5.3428 6.0437 6.0437 7.2305 7.2305 7.2883 7.2883 7.6811 7.6811 7.8528 7.8528 8.4996 8.4996 8.6323 8.6323 8.7103 8.7103 8.7871 8.7871 9.6666 9.6666 10.3743 10.3743 11.8516 11.8516 12.3174 12.3174 12.3514 12.3514 k = 0.0000 0.0000 0.0000 ( 5851 PWs) bands (ev): -17.8963 -17.8963 -17.7594 -17.7594 -5.2325 -5.2325 -4.5447 -4.5447 -4.3919 -4.3919 -4.2749 -4.2749 -3.0957 -3.0957 -3.0347 -3.0347 -2.4643 -2.4643 -2.2370 -2.2370 -2.1313 -2.1313 -1.8972 -1.8972 4.9802 4.9802 5.2449 5.2449 5.3428 5.3428 6.0437 6.0437 7.2305 7.2305 7.2883 7.2883 7.6811 7.6811 7.8528 7.8528 8.4996 8.4996 8.6323 8.6323 8.7103 8.7103 8.7871 8.7871 9.6666 9.6666 10.3743 10.3743 11.8516 11.8516 12.3174 12.3174 12.3514 12.3514 k = 0.0000 0.0000 0.0130 ( 5859 PWs) bands (ev): -17.8963 -17.8963 -17.7594 -17.7594 -5.2325 -5.2325 -4.5466 -4.5466 -4.3901 -4.3901 -4.2749 -4.2749 -3.0962 -3.0962 -3.0345 -3.0345 -2.4643 -2.4643 -2.2372 -2.2372 -2.1313 -2.1313 -1.8961 -1.8961 4.9787 4.9787 5.2449 5.2449 5.3428 5.3428 6.0437 6.0437 7.2310 7.2310 7.2889 7.2889 7.6778 7.6778 7.8542 7.8542 8.4980 8.4980 8.6300 8.6300 8.7109 8.7109 8.7884 8.7884 9.6667 9.6667 10.3759 10.3759 11.8565 11.8565 12.3140 12.3140 12.3506 12.3506 k = 0.0000 0.0000 0.0261 ( 5859 PWs) bands (ev): -17.8962 -17.8962 -17.7594 -17.7594 -5.2324 -5.2324 -4.5521 -4.5521 -4.3850 -4.3850 -4.2749 -4.2749 -3.0975 -3.0975 -3.0340 -3.0340 -2.4644 -2.4644 -2.2377 -2.2377 -2.1312 -2.1312 -1.8928 -1.8928 4.9741 4.9741 5.2450 5.2450 5.3429 5.3429 6.0435 6.0435 7.2325 7.2325 7.2905 7.2905 7.6681 7.6681 7.8581 7.8581 8.4932 8.4932 8.6233 8.6233 8.7126 8.7126 8.7919 8.7919 9.6668 9.6668 10.3806 10.3806 11.8708 11.8708 12.3038 12.3038 12.3484 12.3484 k = 0.0000 0.0000 0.0391 ( 5871 PWs) bands (ev): -17.8962 -17.8962 -17.7594 -17.7594 -5.2322 -5.2322 -4.5604 -4.5604 -4.3773 -4.3773 -4.2749 -4.2749 -3.0997 -3.0997 -3.0331 -3.0331 -2.4645 -2.4645 -2.2387 -2.2387 -2.1310 -2.1310 -1.8875 -1.8875 4.9667 4.9667 5.2452 5.2452 5.3430 5.3430 6.0431 6.0431 7.2348 7.2348 7.2931 7.2931 7.6529 7.6529 7.8640 7.8640 8.4854 8.4854 8.6130 8.6130 8.7154 8.7154 8.7971 8.7971 9.6669 9.6669 10.3885 10.3885 11.8940 11.8940 12.2870 12.2870 12.3447 12.3447 k = 0.0000 0.0000 0.0521 ( 5867 PWs) bands (ev): -17.8961 -17.8961 -17.7595 -17.7595 -5.2320 -5.2320 -4.5708 -4.5708 -4.3678 -4.3678 -4.2749 -4.2749 -3.1026 -3.1026 -3.0318 -3.0318 -2.4647 -2.4647 -2.2399 -2.2399 -2.1308 -2.1308 -1.8802 -1.8802 4.9566 4.9566 5.2454 5.2454 5.3432 5.3432 6.0427 6.0427 7.2381 7.2381 7.2968 7.2968 7.6331 7.6331 7.8712 7.8712 8.4752 8.4752 8.5997 8.5997 8.7188 8.7188 8.8032 8.8032 9.6672 9.6672 10.3994 10.3994 11.9250 11.9250 12.2638 12.2638 12.3398 12.3398 k = 0.0000 0.0000 0.0652 ( 5860 PWs) bands (ev): -17.8960 -17.8960 -17.7596 -17.7596 -5.2317 -5.2317 -4.5824 -4.5824 -4.3572 -4.3572 -4.2749 -4.2749 -3.1062 -3.1062 -3.0303 -3.0303 -2.4650 -2.4650 -2.2414 -2.2414 -2.1305 -2.1305 -1.8713 -1.8713 4.9441 4.9441 5.2457 5.2457 5.3435 5.3435 6.0421 6.0421 7.2422 7.2422 7.3013 7.3013 7.6097 7.6097 7.8793 7.8793 8.4629 8.4629 8.5844 8.5844 8.7226 8.7226 8.8098 8.8098 9.6675 9.6675 10.4131 10.4131 11.9624 11.9624 12.2348 12.2348 12.3339 12.3339 k = 0.0000 0.0000 0.0782 ( 5856 PWs) bands (ev): -17.8959 -17.8959 -17.7597 -17.7597 -5.2313 -5.2313 -4.5948 -4.5948 -4.3461 -4.3461 -4.2749 -4.2749 -3.1104 -3.1104 -3.0285 -3.0285 -2.4653 -2.4653 -2.2432 -2.2432 -2.1302 -2.1302 -1.8611 -1.8611 4.9296 4.9296 5.2461 5.2461 5.3438 5.3438 6.0414 6.0414 7.2471 7.2471 7.3067 7.3067 7.5837 7.5837 7.8879 7.8879 8.4489 8.4489 8.5675 8.5675 8.7265 8.7265 8.8164 8.8164 9.6678 9.6678 10.4296 10.4296 12.0049 12.0049 12.2007 12.2007 12.3271 12.3271 k = 0.0000 0.0000 0.0913 ( 5848 PWs) bands (ev): -17.8958 -17.8958 -17.7598 -17.7598 -5.2309 -5.2309 -4.6075 -4.6075 -4.3349 -4.3349 -4.2749 -4.2749 -3.1149 -3.1149 -3.0266 -3.0266 -2.4656 -2.4656 -2.2450 -2.2450 -2.1299 -2.1299 -1.8498 -1.8498 4.9135 4.9135 5.2464 5.2464 5.3441 5.3441 6.0407 6.0407 7.2526 7.2526 7.3128 7.3128 7.5558 7.5558 7.8967 7.8967 8.4337 8.4337 8.5497 8.5497 8.7305 8.7305 8.8227 8.8227 9.6682 9.6682 10.4485 10.4485 12.0511 12.0511 12.1623 12.1623 12.3198 12.3198 k = 0.0000 0.0000 0.1043 ( 5852 PWs) bands (ev): -17.8957 -17.8957 -17.7599 -17.7599 -5.2304 -5.2304 -4.6201 -4.6201 -4.3239 -4.3239 -4.2749 -4.2749 -3.1197 -3.1197 -3.0245 -3.0245 -2.4659 -2.4659 -2.2469 -2.2469 -2.1295 -2.1295 -1.8377 -1.8377 4.8963 4.8963 5.2468 5.2468 5.3444 5.3444 6.0399 6.0399 7.2586 7.2586 7.3194 7.3194 7.5270 7.5270 7.9056 7.9056 8.4178 8.4178 8.5314 8.5314 8.7342 8.7342 8.8285 8.8285 9.6686 9.6686 10.4695 10.4695 12.0997 12.0997 12.1205 12.1205 12.3123 12.3123 k = 0.0000 0.0000 0.1173 ( 5844 PWs) bands (ev): -17.8956 -17.8956 -17.7600 -17.7600 -5.2299 -5.2299 -4.6323 -4.6323 -4.3133 -4.3133 -4.2749 -4.2749 -3.1246 -3.1246 -3.0222 -3.0222 -2.4663 -2.4663 -2.2489 -2.2489 -2.1291 -2.1291 -1.8253 -1.8253 4.8784 4.8784 5.2472 5.2472 5.3448 5.3448 6.0391 6.0391 7.2649 7.2649 7.3265 7.3265 7.4980 7.4980 7.9144 7.9144 8.4015 8.4015 8.5130 8.5130 8.7376 8.7376 8.8337 8.8337 9.6691 9.6691 10.4924 10.4924 12.0765 12.0765 12.1500 12.1500 12.3047 12.3047 k = 0.0000 0.0000 0.1304 ( 5876 PWs) bands (ev): -17.8955 -17.8955 -17.7601 -17.7601 -5.2294 -5.2294 -4.6440 -4.6440 -4.3032 -4.3032 -4.2749 -4.2749 -3.1295 -3.1295 -3.0200 -3.0200 -2.4666 -2.4666 -2.2509 -2.2509 -2.1287 -2.1287 -1.8128 -1.8128 4.8603 4.8603 5.2476 5.2476 5.3452 5.3452 6.0383 6.0383 7.2715 7.2715 7.3338 7.3338 7.4694 7.4694 7.9229 7.9229 8.3852 8.3852 8.4949 8.4949 8.7406 8.7406 8.8384 8.8384 9.6695 9.6695 10.5167 10.5167 12.0312 12.0312 12.2012 12.2012 12.2975 12.2975 k = 0.0000 0.0000 0.1434 ( 5876 PWs) bands (ev): -17.8953 -17.8953 -17.7602 -17.7602 -5.2288 -5.2288 -4.6550 -4.6550 -4.2940 -4.2940 -4.2749 -4.2749 -3.1343 -3.1343 -3.0177 -3.0177 -2.4670 -2.4670 -2.2527 -2.2527 -2.1283 -2.1283 -1.8005 -1.8005 4.8426 4.8426 5.2480 5.2480 5.3455 5.3455 6.0374 6.0374 7.2781 7.2781 7.3411 7.3411 7.4421 7.4421 7.9310 7.9310 8.3692 8.3692 8.4775 8.4775 8.7433 8.7433 8.8424 8.8424 9.6700 9.6700 10.5418 10.5418 11.9857 11.9857 12.2521 12.2521 12.2919 12.2919 k = 0.0000 0.0000 0.1564 ( 5880 PWs) bands (ev): -17.8952 -17.8952 -17.7604 -17.7604 -5.2282 -5.2282 -4.6651 -4.6651 -4.2855 -4.2855 -4.2749 -4.2749 -3.1387 -3.1387 -3.0156 -3.0156 -2.4673 -2.4673 -2.2545 -2.2545 -2.1280 -2.1280 -1.7889 -1.7889 4.8257 4.8257 5.2484 5.2484 5.3459 5.3459 6.0366 6.0366 7.2846 7.2846 7.3483 7.3483 7.4165 7.4165 7.9387 7.9387 8.3540 8.3540 8.4611 8.4611 8.7456 8.7456 8.8458 8.8458 9.6704 9.6704 10.5672 10.5672 11.9412 11.9412 12.2791 12.2791 12.3113 12.3113 k = 0.0000 0.0000 0.1695 ( 5880 PWs) bands (ev): -17.8951 -17.8951 -17.7605 -17.7605 -5.2277 -5.2277 -4.6741 -4.6741 -4.2781 -4.2781 -4.2749 -4.2749 -3.1429 -3.1429 -3.0136 -3.0136 -2.4676 -2.4676 -2.2561 -2.2561 -2.1276 -2.1276 -1.7782 -1.7782 4.8100 4.8100 5.2488 5.2488 5.3462 5.3462 6.0359 6.0359 7.2907 7.2907 7.3551 7.3551 7.3932 7.3932 7.9456 7.9456 8.3399 8.3399 8.4460 8.4460 8.7475 8.7475 8.8487 8.8487 9.6708 9.6708 10.5921 10.5921 11.8989 11.8989 12.2753 12.2753 12.3629 12.3629 k = 0.0000 0.0000 0.1825 ( 5880 PWs) bands (ev): -17.8950 -17.8950 -17.7606 -17.7606 -5.2272 -5.2272 -4.6820 -4.6820 -4.2749 -4.2749 -4.2716 -4.2716 -3.1465 -3.1465 -3.0118 -3.0118 -2.4679 -2.4679 -2.2575 -2.2575 -2.1273 -2.1273 -1.7686 -1.7686 4.7960 4.7960 5.2491 5.2491 5.3465 5.3465 6.0353 6.0353 7.2963 7.2963 7.3613 7.3613 7.3727 7.3727 7.9518 7.9518 8.3273 8.3273 8.4326 8.4326 8.7491 8.7491 8.8511 8.8511 9.6711 9.6711 10.6156 10.6156 11.8600 11.8600 12.2704 12.2704 12.3604 12.3604 k = 0.0000 0.0000 0.1956 ( 5872 PWs) bands (ev): -17.8949 -17.8949 -17.7606 -17.7606 -5.2268 -5.2268 -4.6886 -4.6886 -4.2749 -4.2749 -4.2663 -4.2663 -3.1496 -3.1496 -3.0102 -3.0102 -2.4682 -2.4682 -2.2587 -2.2587 -2.1271 -2.1271 -1.7604 -1.7604 4.7840 4.7840 5.2494 5.2494 5.3468 5.3468 6.0347 6.0347 7.3012 7.3012 7.3554 7.3554 7.3667 7.3667 7.9570 7.9570 8.3164 8.3164 8.4212 8.4212 8.7504 8.7504 8.8529 8.8529 9.6714 9.6714 10.6369 10.6369 11.8258 11.8258 12.2661 12.2661 12.3561 12.3561 k = 0.0000 0.0000 0.2086 ( 5860 PWs) bands (ev): -17.8949 -17.8949 -17.7607 -17.7607 -5.2264 -5.2264 -4.6938 -4.6938 -4.2749 -4.2749 -4.2620 -4.2620 -3.1521 -3.1521 -3.0089 -3.0089 -2.4684 -2.4684 -2.2597 -2.2597 -2.1268 -2.1268 -1.7538 -1.7538 4.7743 4.7743 5.2496 5.2496 5.3470 5.3470 6.0343 6.0343 7.3052 7.3052 7.3416 7.3416 7.3711 7.3711 7.9612 7.9612 8.3075 8.3075 8.4121 8.4121 8.7513 8.7513 8.8543 8.8543 9.6717 9.6717 10.6548 10.6548 11.7975 11.7975 12.2627 12.2627 12.3527 12.3527 k = 0.0000 0.0000 0.2216 ( 5852 PWs) bands (ev): -17.8948 -17.8948 -17.7607 -17.7607 -5.2261 -5.2261 -4.6976 -4.6976 -4.2749 -4.2749 -4.2590 -4.2590 -3.1539 -3.1539 -3.0080 -3.0080 -2.4685 -2.4685 -2.2604 -2.2604 -2.1267 -2.1267 -1.7490 -1.7490 4.7672 4.7672 5.2497 5.2497 5.3471 5.3471 6.0339 6.0339 7.3082 7.3082 7.3315 7.3315 7.3744 7.3744 7.9643 7.9643 8.3010 8.3010 8.4053 8.4053 8.7519 8.7519 8.8553 8.8553 9.6719 9.6719 10.6685 10.6685 11.7762 11.7762 12.2602 12.2602 12.3502 12.3502 k = 0.0000 0.0000 0.2347 ( 5844 PWs) bands (ev): -17.8948 -17.8948 -17.7608 -17.7608 -5.2259 -5.2259 -4.6998 -4.6998 -4.2749 -4.2749 -4.2572 -4.2572 -3.1550 -3.1550 -3.0074 -3.0074 -2.4686 -2.4686 -2.2609 -2.2609 -2.1266 -2.1266 -1.7461 -1.7461 4.7629 4.7629 5.2498 5.2498 5.3472 5.3472 6.0337 6.0337 7.3101 7.3101 7.3253 7.3253 7.3765 7.3765 7.9662 7.9662 8.2970 8.2970 8.4012 8.4012 8.7523 8.7523 8.8559 8.8559 9.6720 9.6720 10.6772 10.6772 11.7630 11.7630 12.2587 12.2587 12.3488 12.3488 k = 0.0000 0.0000 0.2477 ( 5860 PWs) bands (ev): -17.8948 -17.8948 -17.7608 -17.7608 -5.2259 -5.2259 -4.7006 -4.7006 -4.2749 -4.2749 -4.2566 -4.2566 -3.1553 -3.1553 -3.0073 -3.0073 -2.4686 -2.4686 -2.2610 -2.2610 -2.1266 -2.1266 -1.7451 -1.7451 4.7614 4.7614 5.2499 5.2499 5.3472 5.3472 6.0336 6.0336 7.3108 7.3108 7.3232 7.3232 7.3772 7.3772 7.9669 7.9669 8.2957 8.2957 8.3999 8.3999 8.7525 8.7525 8.8561 8.8561 9.6720 9.6720 10.6801 10.6801 11.7585 11.7585 12.2582 12.2582 12.3483 12.3483 k = 0.0000 0.0000 0.2477 ( 5860 PWs) bands (ev): -17.8948 -17.8948 -17.7608 -17.7608 -5.2259 -5.2259 -4.7006 -4.7006 -4.2749 -4.2749 -4.2566 -4.2566 -3.1553 -3.1553 -3.0073 -3.0073 -2.4686 -2.4686 -2.2610 -2.2610 -2.1266 -2.1266 -1.7451 -1.7451 4.7614 4.7614 5.2499 5.2499 5.3472 5.3472 6.0336 6.0336 7.3108 7.3108 7.3232 7.3232 7.3772 7.3772 7.9669 7.9669 8.2957 8.2957 8.3999 8.3999 8.7525 8.7525 8.8561 8.8561 9.6720 9.6720 10.6801 10.6801 11.7585 11.7585 12.2582 12.2582 12.3483 12.3483 k = 0.0000 0.0132 0.2477 ( 5844 PWs) bands (ev): -17.8947 -17.8947 -17.7608 -17.7608 -5.2252 -5.2252 -4.7008 -4.7008 -4.2752 -4.2752 -4.2567 -4.2567 -3.1560 -3.1560 -3.0093 -3.0093 -2.4673 -2.4673 -2.2657 -2.2657 -2.1201 -2.1201 -1.7443 -1.7443 4.7613 4.7613 5.2504 5.2504 5.3476 5.3476 6.0315 6.0315 7.3045 7.3045 7.3266 7.3266 7.3787 7.3787 7.9661 7.9661 8.2933 8.2933 8.3971 8.3971 8.7474 8.7474 8.8504 8.8504 9.6818 9.6818 10.6837 10.6837 11.7620 11.7620 12.2548 12.2548 12.3448 12.3448 k = 0.0000 0.0263 0.2477 ( 5840 PWs) bands (ev): -17.8943 -17.8943 -17.7607 -17.7607 -5.2233 -5.2233 -4.7015 -4.7015 -4.2763 -4.2763 -4.2569 -4.2569 -3.1578 -3.1578 -3.0152 -3.0152 -2.4634 -2.4634 -2.2776 -2.2776 -2.1028 -2.1028 -1.7418 -1.7418 4.7608 4.7608 5.2519 5.2519 5.3488 5.3488 6.0251 6.0251 7.2941 7.2941 7.3257 7.3257 7.3858 7.3858 7.9638 7.9638 8.2860 8.2860 8.3891 8.3891 8.7323 8.7323 8.8342 8.8342 9.7104 9.7104 10.6946 10.6946 11.7724 11.7724 12.2428 12.2428 12.3373 12.3373 k = 0.0000 0.0395 0.2477 ( 5858 PWs) bands (ev): -17.8937 -17.8937 -17.7607 -17.7607 -5.2201 -5.2201 -4.7027 -4.7027 -4.2787 -4.2787 -4.2566 -4.2566 -3.1609 -3.1609 -3.0246 -3.0246 -2.4576 -2.4576 -2.2923 -2.2923 -2.0789 -2.0789 -1.7377 -1.7377 4.7600 4.7600 5.2542 5.2542 5.3509 5.3509 6.0147 6.0147 7.2825 7.2825 7.3156 7.3156 7.4004 7.4004 7.9598 7.9598 8.2739 8.2739 8.3760 8.3760 8.7082 8.7082 8.8090 8.8090 9.7553 9.7553 10.7123 10.7123 11.7898 11.7898 12.2190 12.2190 12.3319 12.3319 k = 0.0000 0.0526 0.2477 ( 5862 PWs) bands (ev): -17.8928 -17.8928 -17.7606 -17.7606 -5.2157 -5.2157 -4.7043 -4.7043 -4.2829 -4.2829 -4.2555 -4.2555 -3.1653 -3.1653 -3.0371 -3.0371 -2.4507 -2.4507 -2.3069 -2.3069 -2.0511 -2.0511 -1.7318 -1.7318 4.7591 4.7591 5.2571 5.2571 5.3540 5.3540 6.0006 6.0006 7.2677 7.2677 7.3005 7.3005 7.4204 7.4204 7.9540 7.9540 8.2573 8.2573 8.3582 8.3582 8.6764 8.6764 8.7765 8.7765 9.8137 9.8137 10.7364 10.7364 11.8138 11.8138 12.1833 12.1833 12.3318 12.3318 k = 0.0000 0.0658 0.2477 ( 5878 PWs) bands (ev): -17.8917 -17.8917 -17.7605 -17.7605 -5.2100 -5.2100 -4.7064 -4.7064 -4.2890 -4.2890 -4.2532 -4.2532 -3.1709 -3.1709 -3.0520 -3.0520 -2.4440 -2.4440 -2.3192 -2.3192 -2.0209 -2.0209 -1.7242 -1.7242 4.7583 4.7583 5.2604 5.2604 5.3581 5.3581 5.9832 5.9832 7.2447 7.2447 7.2870 7.2870 7.4439 7.4439 7.9462 7.9462 8.2362 8.2362 8.3364 8.3364 8.6385 8.6385 8.7379 8.7379 9.8829 9.8829 10.7663 10.7663 11.8445 11.8445 12.1395 12.1395 12.3366 12.3366 k = 0.0000 0.0789 0.2477 ( 5870 PWs) bands (ev): -17.8904 -17.8904 -17.7604 -17.7604 -5.2033 -5.2033 -4.7089 -4.7089 -4.2968 -4.2968 -4.2501 -4.2501 -3.1778 -3.1778 -3.0687 -3.0687 -2.4390 -2.4390 -2.3274 -2.3274 -1.9891 -1.9891 -1.7149 -1.7149 4.7577 4.7577 5.2638 5.2638 5.3636 5.3636 5.9630 5.9630 7.2121 7.2121 7.2776 7.2776 7.4695 7.4695 7.9361 7.9361 8.2113 8.2113 8.3111 8.3111 8.5960 8.5960 8.6941 8.6941 9.9606 9.9606 10.8010 10.8010 11.8815 11.8815 12.0915 12.0915 12.3452 12.3452 k = 0.0000 0.0921 0.2477 ( 5878 PWs) bands (ev): -17.8888 -17.8888 -17.7603 -17.7603 -5.1955 -5.1955 -4.7119 -4.7119 -4.3061 -4.3061 -4.2461 -4.2461 -3.1861 -3.1861 -3.0864 -3.0864 -2.4371 -2.4371 -2.3304 -2.3304 -1.9565 -1.9565 -1.7038 -1.7038 4.7576 4.7576 5.2671 5.2671 5.3703 5.3703 5.9405 5.9405 7.1723 7.1723 7.2708 7.2708 7.4964 7.4964 7.9232 7.9232 8.1832 8.1832 8.2828 8.2828 8.5504 8.5504 8.6459 8.6459 10.0450 10.0450 10.8395 10.8395 11.9243 11.9243 12.0426 12.0426 12.3569 12.3569 k = 0.0000 0.1053 0.2477 ( 5874 PWs) bands (ev): -17.8871 -17.8871 -17.7601 -17.7601 -5.1868 -5.1868 -4.7153 -4.7153 -4.3168 -4.3168 -4.2415 -4.2415 -3.1956 -3.1956 -3.1047 -3.1047 -2.4384 -2.4384 -2.3283 -2.3283 -1.9232 -1.9232 -1.6910 -1.6910 4.7581 4.7581 5.2701 5.2701 5.3784 5.3784 5.9161 5.9161 7.1270 7.1270 7.2655 7.2655 7.5237 7.5237 7.9070 7.9070 8.1527 8.1527 8.2521 8.2521 8.5026 8.5026 8.5939 8.5939 10.1346 10.1346 10.8805 10.8805 11.9678 11.9678 12.0007 12.0007 12.3714 12.3714 k = 0.0000 0.1184 0.2477 ( 5874 PWs) bands (ev): -17.8851 -17.8851 -17.7600 -17.7600 -5.1773 -5.1773 -4.7191 -4.7191 -4.3285 -4.3285 -4.2363 -4.2363 -3.2066 -3.2066 -3.1228 -3.1228 -2.4422 -2.4422 -2.3221 -2.3221 -1.8898 -1.8898 -1.6764 -1.6764 4.7595 4.7595 5.2727 5.2727 5.3878 5.3878 5.8904 5.8904 7.0774 7.0774 7.2610 7.2610 7.5507 7.5507 7.8867 7.8867 8.1211 8.1211 8.2194 8.2194 8.4532 8.4532 8.5387 8.5387 10.2283 10.2283 10.9222 10.9222 11.9464 11.9464 12.0336 12.0336 12.3885 12.3885 k = 0.0000 0.1316 0.2477 ( 5886 PWs) bands (ev): -17.8829 -17.8829 -17.7599 -17.7599 -5.1670 -5.1670 -4.7232 -4.7232 -4.3413 -4.3413 -4.2307 -4.2307 -3.2189 -3.2189 -3.1405 -3.1405 -2.4472 -2.4472 -2.3134 -2.3134 -1.8563 -1.8563 -1.6600 -1.6600 4.7620 4.7620 5.2750 5.2750 5.3983 5.3983 5.8637 5.8637 7.0242 7.0242 7.2571 7.2571 7.5763 7.5763 7.8616 7.8616 8.0896 8.0896 8.1851 8.1851 8.4025 8.4025 8.4811 8.4811 10.3251 10.3251 10.9626 10.9626 11.9109 11.9109 12.0934 12.0934 12.4082 12.4082 k = 0.0000 0.1447 0.2477 ( 5886 PWs) bands (ev): -17.8805 -17.8805 -17.7598 -17.7598 -5.1563 -5.1563 -4.7278 -4.7278 -4.3548 -4.3548 -4.2247 -4.2247 -3.2325 -3.2325 -3.1572 -3.1572 -2.4523 -2.4523 -2.3037 -2.3037 -1.8230 -1.8230 -1.6421 -1.6421 4.7660 4.7660 5.2770 5.2770 5.4097 5.4097 5.8365 5.8365 6.9683 6.9683 7.2537 7.2537 7.5998 7.5998 7.8314 7.8314 8.0591 8.0591 8.1494 8.1494 8.3506 8.3506 8.4221 8.4221 10.4243 10.4243 10.9992 10.9992 11.8849 11.8849 12.1593 12.1593 12.4305 12.4305 k = 0.0000 0.1579 0.2477 ( 5884 PWs) bands (ev): -17.8779 -17.8779 -17.7597 -17.7597 -5.1451 -5.1451 -4.7327 -4.7327 -4.3687 -4.3687 -4.2183 -4.2183 -3.2471 -3.2471 -3.1729 -3.1729 -2.4568 -2.4568 -2.2937 -2.2937 -1.7900 -1.7900 -1.6226 -1.6226 4.7715 4.7715 5.2789 5.2789 5.4218 5.4218 5.8090 5.8090 6.9103 6.9103 7.2506 7.2506 7.6201 7.6201 7.7959 7.7959 8.0303 8.0303 8.1127 8.1127 8.2975 8.2975 8.3627 8.3627 10.5253 10.5253 11.0295 11.0295 11.8724 11.8724 12.2303 12.2303 12.4554 12.4554 k = 0.0000 0.1711 0.2477 ( 5882 PWs) bands (ev): -17.8752 -17.8752 -17.7596 -17.7596 -5.1338 -5.1338 -4.7379 -4.7379 -4.3829 -4.3829 -4.2118 -4.2118 -3.2626 -3.2626 -3.1876 -3.1876 -2.4604 -2.4604 -2.2840 -2.2840 -1.7574 -1.7574 -1.6018 -1.6018 4.7788 4.7788 5.2806 5.2806 5.4344 5.4344 5.7817 5.7817 6.8506 6.8506 7.2479 7.2479 7.6360 7.6360 7.7560 7.7560 8.0029 8.0029 8.0753 8.0753 8.2428 8.2428 8.3041 8.3041 10.6273 10.6273 11.0514 11.0514 11.8766 11.8766 12.3058 12.3058 12.4831 12.4831 k = 0.0000 0.1842 0.2477 ( 5878 PWs) bands (ev): -17.8723 -17.8723 -17.7596 -17.7596 -5.1225 -5.1225 -4.7436 -4.7436 -4.3970 -4.3970 -4.2052 -4.2052 -3.2784 -3.2784 -3.2013 -3.2013 -2.4629 -2.4629 -2.2751 -2.2751 -1.7254 -1.7254 -1.5799 -1.5799 4.7881 4.7881 5.2824 5.2824 5.4473 5.4473 5.7548 5.7548 6.7897 6.7897 7.2454 7.2454 7.6459 7.6459 7.7129 7.7129 7.9765 7.9765 8.0376 8.0376 8.1864 8.1864 8.2474 8.2474 10.7299 10.7299 11.0640 11.0640 11.8990 11.8990 12.3851 12.3851 12.5137 12.5137 k = 0.0000 0.1974 0.2477 ( 5870 PWs) bands (ev): -17.8692 -17.8692 -17.7596 -17.7596 -5.1114 -5.1114 -4.7496 -4.7496 -4.4107 -4.4107 -4.1985 -4.1985 -3.2942 -3.2942 -3.2142 -3.2142 -2.4642 -2.4642 -2.2670 -2.2670 -1.6939 -1.6939 -1.5570 -1.5570 4.7995 4.7995 5.2843 5.2843 5.4602 5.4602 5.7286 5.7286 6.7282 6.7282 7.2432 7.2432 7.6443 7.6443 7.6722 7.6722 7.9500 7.9500 8.0002 8.0002 8.1290 8.1290 8.1932 8.1932 10.8324 10.8324 11.0684 11.0684 11.9395 11.9395 12.4674 12.4674 12.5476 12.5476 k = 0.0000 0.2105 0.2477 ( 5874 PWs) bands (ev): -17.8660 -17.8660 -17.7596 -17.7596 -5.1007 -5.1007 -4.7560 -4.7560 -4.4235 -4.4235 -4.1920 -4.1920 -3.3096 -3.3096 -3.2265 -3.2265 -2.4644 -2.4644 -2.2600 -2.2600 -1.6630 -1.6630 -1.5335 -1.5335 4.8134 4.8134 5.2866 5.2866 5.4730 5.4730 5.7032 5.7032 6.6663 6.6663 7.2412 7.2412 7.6104 7.6104 7.6544 7.6544 7.9222 7.9222 7.9635 7.9635 8.0719 8.0719 8.1415 8.1415 10.9343 10.9343 11.0669 11.0669 11.9964 11.9964 12.5500 12.5500 12.5864 12.5864 k = 0.0000 0.2237 0.2477 ( 5882 PWs) bands (ev): -17.8626 -17.8626 -17.7597 -17.7597 -5.0907 -5.0907 -4.7630 -4.7630 -4.4351 -4.4351 -4.1856 -4.1856 -3.3245 -3.3245 -3.2383 -3.2383 -2.4634 -2.4634 -2.2541 -2.2541 -1.6327 -1.6327 -1.5096 -1.5096 4.8298 4.8298 5.2892 5.2892 5.4855 5.4855 5.6787 5.6787 6.6044 6.6044 7.2394 7.2394 7.5630 7.5630 7.6405 7.6405 7.8920 7.8920 7.9277 7.9277 8.0171 8.0171 8.0923 8.0923 11.0327 11.0327 11.0650 11.0650 12.0674 12.0674 12.6149 12.6149 12.6472 12.6472 k = 0.0000 0.2368 0.2477 ( 5884 PWs) bands (ev): -17.8592 -17.8592 -17.7599 -17.7599 -5.0815 -5.0815 -4.7705 -4.7705 -4.4451 -4.4451 -4.1795 -4.1795 -3.3385 -3.3385 -3.2495 -3.2495 -2.4614 -2.4614 -2.2492 -2.2492 -1.6032 -1.6032 -1.4856 -1.4856 4.8489 4.8489 5.2923 5.2923 5.4975 5.4975 5.6555 5.6555 6.5428 6.5428 7.2377 7.2377 7.5143 7.5143 7.6179 7.6179 7.8591 7.8591 7.8920 7.8920 7.9670 7.9670 8.0452 8.0452 11.0555 11.0555 11.1375 11.1375 12.1497 12.1497 12.6598 12.6598 12.7302 12.7302 k = 0.0000 0.2500 0.2477 ( 5882 PWs) bands (ev): -17.8557 -17.8557 -17.7602 -17.7602 -5.0733 -5.0733 -4.7789 -4.7789 -4.4530 -4.4530 -4.1737 -4.1737 -3.3516 -3.3516 -3.2604 -3.2604 -2.4584 -2.4584 -2.2453 -2.2453 -1.5743 -1.5743 -1.4616 -1.4616 4.8708 4.8708 5.2961 5.2961 5.5090 5.5090 5.6335 5.6335 6.4817 6.4817 7.2359 7.2359 7.4660 7.4660 7.5852 7.5852 7.8244 7.8244 7.8548 7.8548 7.9230 7.9230 8.0005 8.0005 11.0541 11.0541 11.2349 11.2349 12.2411 12.2411 12.7041 12.7041 12.7714 12.7714 k = 0.0000 0.2632 0.2477 ( 5878 PWs) bands (ev): -17.8520 -17.8520 -17.7605 -17.7605 -5.0663 -5.0663 -4.7881 -4.7881 -4.4585 -4.4585 -4.1685 -4.1685 -3.3636 -3.3636 -3.2709 -3.2709 -2.4545 -2.4545 -2.2425 -2.2425 -1.5461 -1.5461 -1.4381 -1.4381 4.8957 4.8957 5.3005 5.3005 5.5198 5.5198 5.6129 5.6129 6.4213 6.4213 7.2338 7.2338 7.4189 7.4189 7.5425 7.5425 7.7887 7.7887 7.8156 7.8156 7.8847 7.8847 7.9584 7.9584 11.0566 11.0566 11.3305 11.3305 12.3396 12.3396 12.7439 12.7439 12.7793 12.7793 k = 0.0000 0.2763 0.2477 ( 5870 PWs) bands (ev): -17.8483 -17.8483 -17.7609 -17.7609 -5.0603 -5.0603 -4.7983 -4.7983 -4.4613 -4.4613 -4.1638 -4.1638 -3.3746 -3.3746 -3.2811 -3.2811 -2.4498 -2.4498 -2.2407 -2.2407 -1.5188 -1.5188 -1.4151 -1.4151 4.9236 4.9236 5.3057 5.3057 5.5298 5.5298 5.5937 5.5937 6.3619 6.3619 7.2308 7.2308 7.3736 7.3736 7.4915 7.4915 7.7527 7.7527 7.7753 7.7753 7.8496 7.8496 7.9191 7.9191 11.0648 11.0648 11.4236 11.4236 12.4435 12.4435 12.7574 12.7574 12.8155 12.8155 k = 0.0000 0.2895 0.2477 ( 5874 PWs) bands (ev): -17.8446 -17.8446 -17.7615 -17.7615 -5.0555 -5.0555 -4.8096 -4.8096 -4.4612 -4.4612 -4.1598 -4.1598 -3.3843 -3.3843 -3.2910 -3.2910 -2.4443 -2.4443 -2.2398 -2.2398 -1.4922 -1.4922 -1.3929 -1.3929 4.9546 4.9546 5.3117 5.3117 5.5390 5.5390 5.5760 5.5760 6.3036 6.3036 7.2252 7.2252 7.3306 7.3306 7.4351 7.4351 7.7163 7.7163 7.7354 7.7354 7.8154 7.8154 7.8829 7.8829 11.0796 11.0796 11.5138 11.5138 12.5509 12.5509 12.7572 12.7572 12.8672 12.8672 k = 0.0000 0.3026 0.2477 ( 5870 PWs) bands (ev): -17.8408 -17.8408 -17.7621 -17.7621 -5.0518 -5.0518 -4.8218 -4.8218 -4.4582 -4.4582 -4.1565 -4.1565 -3.3929 -3.3929 -3.3005 -3.3005 -2.4382 -2.4382 -2.2397 -2.2397 -1.4665 -1.4665 -1.3716 -1.3716 4.9887 4.9887 5.3188 5.3188 5.5474 5.5474 5.5599 5.5599 6.2466 6.2466 7.2136 7.2136 7.2904 7.2904 7.3785 7.3785 7.6782 7.6782 7.6977 7.6977 7.7813 7.7813 7.8496 7.8496 11.1014 11.1014 11.6008 11.6008 12.6594 12.6594 12.7544 12.7544 12.9196 12.9196 k = 0.0000 0.3158 0.2477 ( 5878 PWs) bands (ev): -17.8369 -17.8369 -17.7628 -17.7628 -5.0490 -5.0490 -4.8349 -4.8349 -4.4523 -4.4523 -4.1541 -4.1541 -3.4004 -3.4004 -3.3098 -3.3098 -2.4315 -2.4315 -2.2405 -2.2405 -1.4418 -1.4418 -1.3514 -1.3514 5.0260 5.0260 5.3269 5.3269 5.5452 5.5452 5.5551 5.5551 6.1909 6.1909 7.1879 7.1879 7.2529 7.2529 7.3315 7.3315 7.6376 7.6376 7.6634 7.6634 7.7471 7.7471 7.8186 7.8186 11.1303 11.1303 11.6843 11.6843 12.7435 12.7435 12.7712 12.7712 12.9165 12.9165 k = 0.0000 0.3289 0.2477 ( 5882 PWs) bands (ev): -17.8331 -17.8331 -17.7637 -17.7637 -5.0471 -5.0471 -4.8488 -4.8488 -4.4440 -4.4440 -4.1527 -4.1527 -3.4068 -3.4068 -3.3187 -3.3187 -2.4243 -2.4243 -2.2421 -2.2421 -1.4180 -1.4180 -1.3325 -1.3325 5.0664 5.0664 5.3361 5.3361 5.5322 5.5322 5.5620 5.5620 6.1366 6.1366 7.1396 7.1396 7.2181 7.2181 7.3036 7.3036 7.5954 7.5954 7.6322 7.6322 7.7133 7.7133 7.7892 7.7892 11.1661 11.1661 11.7641 11.7641 12.7408 12.7408 12.8378 12.8378 12.9151 12.9151 k = 0.0000 0.3421 0.2477 ( 5878 PWs) bands (ev): -17.8292 -17.8292 -17.7647 -17.7647 -5.0457 -5.0457 -4.8632 -4.8632 -4.4333 -4.4333 -4.1522 -4.1522 -3.4120 -3.4120 -3.3274 -3.3274 -2.4167 -2.4167 -2.2444 -2.2444 -1.3954 -1.3954 -1.3148 -1.3148 5.1096 5.1096 5.3465 5.3465 5.5207 5.5207 5.5683 5.5683 6.0839 6.0839 7.0722 7.0722 7.1867 7.1867 7.2915 7.2915 7.5531 7.5531 7.6036 7.6036 7.6804 7.6804 7.7608 7.7608 11.2086 11.2086 11.8402 11.8402 12.7332 12.7332 12.8144 12.8144 12.9943 12.9943 k = 0.0000 0.3553 0.2477 ( 5870 PWs) bands (ev): -17.8254 -17.8254 -17.7658 -17.7658 -5.0447 -5.0447 -4.8780 -4.8780 -4.4206 -4.4206 -4.1529 -4.1529 -3.4162 -3.4162 -3.3357 -3.3357 -2.4087 -2.4087 -2.2473 -2.2473 -1.3739 -1.3739 -1.2987 -1.2987 5.1555 5.1555 5.3583 5.3583 5.5108 5.5108 5.5745 5.5745 6.0329 6.0329 6.9940 6.9940 7.1591 7.1591 7.2869 7.2869 7.5118 7.5118 7.5773 7.5773 7.6489 7.6489 7.7332 7.7332 11.2573 11.2573 11.9125 11.9125 12.7237 12.7237 12.7707 12.7707 13.0731 13.0731 k = 0.0000 0.3684 0.2477 ( 5866 PWs) bands (ev): -17.8216 -17.8216 -17.7671 -17.7671 -5.0439 -5.0439 -4.8928 -4.8928 -4.4064 -4.4064 -4.1547 -4.1547 -3.4194 -3.4194 -3.3438 -3.3438 -2.4005 -2.4005 -2.2510 -2.2510 -1.3536 -1.3536 -1.2840 -1.2840 5.2035 5.2035 5.3715 5.3715 5.5024 5.5024 5.5811 5.5811 5.9835 5.9835 6.9098 6.9098 7.1354 7.1354 7.2850 7.2850 7.4729 7.4729 7.5533 7.5533 7.6190 7.6190 7.7060 7.7060 11.3117 11.3117 11.9810 11.9810 12.7119 12.7119 12.7227 12.7227 13.1229 13.1229 k = 0.0000 0.3816 0.2477 ( 5866 PWs) bands (ev): -17.8179 -17.8179 -17.7685 -17.7685 -5.0431 -5.0431 -4.9075 -4.9075 -4.3909 -4.3909 -4.1577 -4.1577 -3.4217 -3.4217 -3.3516 -3.3516 -2.3920 -2.3920 -2.2552 -2.2552 -1.3346 -1.3346 -1.2710 -1.2710 5.2526 5.2526 5.3862 5.3862 5.4954 5.4954 5.5888 5.5888 5.9359 5.9359 6.8219 6.8219 7.1157 7.1157 7.2826 7.2826 7.4385 7.4385 7.5318 7.5318 7.5910 7.5910 7.6793 7.6793 11.3711 11.3711 12.0455 12.0455 12.6690 12.6690 12.7004 12.7004 13.1416 13.1416 k = 0.0000 0.3947 0.2477 ( 5862 PWs) bands (ev): -17.8142 -17.8142 -17.7701 -17.7701 -5.0421 -5.0421 -4.9219 -4.9219 -4.3745 -4.3745 -4.1620 -4.1620 -3.4230 -3.4230 -3.3591 -3.3591 -2.3833 -2.3833 -2.2600 -2.2600 -1.3170 -1.3170 -1.2596 -1.2596 5.3013 5.3013 5.4027 5.4027 5.4899 5.4899 5.5991 5.5991 5.8901 5.8901 6.7317 6.7317 7.0998 7.0998 7.2767 7.2767 7.4111 7.4111 7.5128 7.5128 7.5651 7.5651 7.6530 7.6530 11.4350 11.4350 12.1063 12.1063 12.6135 12.6135 12.6855 12.6855 13.1425 13.1425 k = 0.0000 0.4079 0.2477 ( 5866 PWs) bands (ev): -17.8105 -17.8105 -17.7718 -17.7718 -5.0408 -5.0408 -4.9359 -4.9359 -4.3574 -4.3574 -4.1675 -4.1675 -3.4235 -3.4235 -3.3663 -3.3663 -2.3745 -2.3745 -2.2653 -2.2653 -1.3008 -1.3008 -1.2499 -1.2499 5.3470 5.3470 5.4213 5.4213 5.4858 5.4858 5.6146 5.6146 5.8461 5.8461 6.6399 6.6399 7.0880 7.0880 7.2644 7.2644 7.3939 7.3939 7.4964 7.4964 7.5414 7.5414 7.6272 7.6272 11.5029 11.5029 12.1630 12.1630 12.5547 12.5547 12.6688 12.6688 13.1359 13.1359 k = 0.0000 0.4211 0.2477 ( 5862 PWs) bands (ev): -17.8070 -17.8070 -17.7736 -17.7736 -5.0390 -5.0390 -4.9493 -4.9493 -4.3401 -4.3401 -4.1744 -4.1744 -3.4232 -3.4232 -3.3732 -3.3732 -2.3657 -2.3657 -2.2710 -2.2710 -1.2861 -1.2861 -1.2420 -1.2420 5.3862 5.3862 5.4417 5.4417 5.4834 5.4834 5.6384 5.6384 5.8040 5.8040 6.5473 6.5473 7.0801 7.0801 7.2451 7.2451 7.3874 7.3874 7.4827 7.4827 7.5201 7.5201 7.6019 7.6019 11.5740 11.5740 12.2154 12.2154 12.4932 12.4932 12.6501 12.6501 13.1272 13.1272 k = 0.0000 0.4342 0.2477 ( 5870 PWs) bands (ev): -17.8035 -17.8035 -17.7756 -17.7756 -5.0365 -5.0365 -4.9619 -4.9619 -4.3226 -4.3226 -4.1825 -4.1825 -3.4221 -3.4221 -3.3798 -3.3798 -2.3569 -2.3569 -2.2773 -2.2773 -1.2730 -1.2730 -1.2358 -1.2358 5.4163 5.4163 5.4612 5.4612 5.4845 5.4845 5.6742 5.6742 5.7637 5.7637 6.4546 6.4546 7.0761 7.0761 7.2215 7.2215 7.3892 7.3892 7.4718 7.4718 7.5012 7.5012 7.5774 7.5774 11.6479 11.6479 12.2613 12.2613 12.4313 12.4313 12.6291 12.6291 13.1185 13.1185 k = 0.0000 0.4474 0.2477 ( 5870 PWs) bands (ev): -17.8001 -17.8001 -17.7778 -17.7778 -5.0333 -5.0333 -4.9737 -4.9737 -4.3053 -4.3053 -4.1918 -4.1918 -3.4203 -3.4203 -3.3860 -3.3860 -2.3481 -2.3481 -2.2839 -2.2839 -1.2615 -1.2615 -1.2315 -1.2315 5.4380 5.4380 5.4711 5.4711 5.4957 5.4957 5.7227 5.7227 5.7259 5.7259 6.3623 6.3623 7.0760 7.0760 7.1965 7.1965 7.3963 7.3963 7.4640 7.4640 7.4848 7.4848 7.5538 7.5538 11.7239 11.7239 12.2885 12.2885 12.3817 12.3817 12.6059 12.6059 13.1112 13.1112 k = 0.0000 0.4605 0.2477 ( 5862 PWs) bands (ev): -17.7969 -17.7969 -17.7801 -17.7801 -5.0292 -5.0292 -4.9846 -4.9846 -4.2883 -4.2883 -4.2025 -4.2025 -3.4178 -3.4178 -3.3919 -3.3919 -2.3393 -2.3393 -2.2910 -2.2910 -1.2516 -1.2516 -1.2290 -1.2290 5.4530 5.4530 5.4728 5.4728 5.5155 5.5155 5.6890 5.6890 5.7837 5.7837 6.2711 6.2711 7.0796 7.0796 7.1720 7.1720 7.4065 7.4065 7.4594 7.4594 7.4709 7.4709 7.5313 7.5313 11.8015 11.8015 12.2564 12.2564 12.3854 12.3854 12.5804 12.5804 13.1060 13.1061 k = 0.0000 0.4737 0.2477 ( 5862 PWs) bands (ev): -17.7938 -17.7938 -17.7825 -17.7825 -5.0243 -5.0243 -4.9946 -4.9946 -4.2719 -4.2719 -4.2143 -4.2143 -3.4148 -3.4148 -3.3974 -3.3974 -2.3307 -2.3307 -2.2984 -2.2984 -1.2434 -1.2434 -1.2282 -1.2282 5.4626 5.4626 5.4728 5.4728 5.5384 5.5384 5.6546 5.6546 5.8530 5.8530 6.1815 6.1815 7.0869 7.0869 7.1494 7.1494 7.4180 7.4180 7.4565 7.4565 7.4616 7.4616 7.5103 7.5103 11.8801 11.8801 12.1895 12.1895 12.4185 12.4185 12.5524 12.5524 13.1029 13.1029 k = 0.0000 0.4868 0.2477 ( 5862 PWs) bands (ev): -17.7907 -17.7907 -17.7851 -17.7851 -5.0183 -5.0183 -5.0035 -5.0035 -4.2561 -4.2561 -4.2272 -4.2272 -3.4112 -3.4112 -3.4024 -3.4024 -2.3223 -2.3223 -2.3061 -2.3061 -1.2369 -1.2369 -1.2293 -1.2293 5.4680 5.4680 5.4723 5.4723 5.5640 5.5640 5.6223 5.6223 5.9289 5.9289 6.0941 6.0941 7.0977 7.0977 7.1292 7.1292 7.4293 7.4293 7.4480 7.4480 7.4649 7.4649 7.4914 7.4914 11.9590 11.9590 12.1150 12.1150 12.4545 12.4545 12.5221 12.5221 13.1029 13.1034 k = 0.0000 0.5000 0.2477 ( 5864 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -5.0114 -5.0114 -5.0114 -5.0114 -4.2412 -4.2412 -4.2412 -4.2412 -3.4070 -3.4070 -3.4070 -3.4070 -2.3141 -2.3141 -2.3141 -2.3141 -1.2322 -1.2322 -1.2322 -1.2322 5.4709 5.4709 5.4709 5.4709 5.5920 5.5920 5.5920 5.5920 6.0096 6.0096 6.0096 6.0096 7.1119 7.1119 7.1119 7.1119 7.4390 7.4390 7.4390 7.4390 7.4756 7.4756 7.4756 7.4756 12.0376 12.0376 12.0376 12.0376 12.4893 12.4893 12.4893 12.4893 13.1059 13.1059 k = 0.0000 0.5000 0.2477 ( 5864 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -5.0114 -5.0114 -5.0114 -5.0114 -4.2412 -4.2412 -4.2412 -4.2412 -3.4070 -3.4070 -3.4070 -3.4070 -2.3141 -2.3141 -2.3141 -2.3141 -1.2322 -1.2322 -1.2322 -1.2322 5.4709 5.4709 5.4709 5.4709 5.5920 5.5920 5.5920 5.5920 6.0096 6.0096 6.0096 6.0096 7.1119 7.1119 7.1119 7.1119 7.4390 7.4390 7.4390 7.4390 7.4756 7.4756 7.4756 7.4756 12.0376 12.0376 12.0376 12.0376 12.4893 12.4893 12.4893 12.4893 13.1059 13.1059 k = 0.0132 0.5000 0.2477 ( 5856 PWs) bands (ev): -17.7878 -17.7878 -17.7878 -17.7878 -5.0112 -5.0112 -5.0106 -5.0106 -4.2418 -4.2418 -4.2395 -4.2395 -3.4111 -3.4111 -3.4030 -3.4030 -2.3197 -2.3197 -2.3097 -2.3097 -1.2352 -1.2352 -1.2319 -1.2319 5.4615 5.4615 5.4712 5.4712 5.5878 5.5878 5.5940 5.5940 6.0143 6.0143 6.0148 6.0148 7.1145 7.1145 7.1150 7.1150 7.4347 7.4347 7.4449 7.4449 7.4729 7.4729 7.4806 7.4806 12.0344 12.0344 12.0369 12.0369 12.4846 12.4846 12.4905 12.4905 13.1049 13.1053 k = 0.0263 0.5000 0.2477 ( 5856 PWs) bands (ev): -17.7876 -17.7876 -17.7876 -17.7876 -5.0099 -5.0099 -5.0087 -5.0087 -4.2413 -4.2413 -4.2367 -4.2367 -3.4152 -3.4152 -3.3990 -3.3990 -2.3268 -2.3268 -2.3068 -2.3068 -1.2410 -1.2410 -1.2343 -1.2343 5.4435 5.4435 5.4611 5.4611 5.5831 5.5831 5.5940 5.5940 6.0284 6.0284 6.0293 6.0293 7.1229 7.1229 7.1239 7.1239 7.4320 7.4320 7.4520 7.4520 7.4727 7.4727 7.4878 7.4878 12.0272 12.0272 12.0323 12.0323 12.4763 12.4763 12.4882 12.4882 13.1034 13.1045 k = 0.0395 0.5000 0.2477 ( 5856 PWs) bands (ev): -17.7873 -17.7873 -17.7873 -17.7873 -5.0076 -5.0076 -5.0058 -5.0058 -4.2398 -4.2398 -4.2328 -4.2328 -3.4193 -3.4193 -3.3950 -3.3950 -2.3351 -2.3351 -2.3051 -2.3051 -1.2494 -1.2494 -1.2394 -1.2394 5.4174 5.4174 5.4401 5.4401 5.5804 5.5804 5.5934 5.5934 6.0501 6.0501 6.0511 6.0511 7.1369 7.1369 7.1383 7.1383 7.4311 7.4311 7.4593 7.4593 7.4761 7.4761 7.4971 7.4971 12.0162 12.0162 12.0237 12.0237 12.4645 12.4645 12.4823 12.4823 13.1005 13.1005 k = 0.0526 0.5000 0.2477 ( 5860 PWs) bands (ev): -17.7869 -17.7869 -17.7869 -17.7869 -5.0043 -5.0043 -5.0019 -5.0019 -4.2372 -4.2372 -4.2279 -4.2279 -3.4234 -3.4234 -3.3910 -3.3910 -2.3448 -2.3448 -2.3047 -2.3047 -1.2604 -1.2604 -1.2471 -1.2471 5.3841 5.3841 5.4094 5.4094 5.5807 5.5807 5.5935 5.5935 6.0774 6.0774 6.0784 6.0784 7.1560 7.1560 7.1577 7.1577 7.4317 7.4317 7.4654 7.4654 7.4845 7.4845 7.5086 7.5086 12.0011 12.0011 12.0111 12.0111 12.4495 12.4495 12.4733 12.4733 13.0976 13.0987 k = 0.0658 0.5000 0.2477 ( 5864 PWs) bands (ev): -17.7864 -17.7864 -17.7864 -17.7864 -5.0000 -5.0000 -4.9970 -4.9970 -4.2335 -4.2335 -4.2220 -4.2220 -3.4276 -3.4276 -3.3870 -3.3870 -2.3557 -2.3557 -2.3056 -2.3056 -1.2740 -1.2740 -1.2573 -1.2573 5.3450 5.3450 5.3712 5.3712 5.5837 5.5837 5.5949 5.5949 6.1087 6.1087 6.1094 6.1094 7.1798 7.1798 7.1818 7.1818 7.4339 7.4339 7.4707 7.4707 7.4972 7.4972 7.5223 7.5223 11.9822 11.9822 11.9944 11.9944 12.4314 12.4314 12.4611 12.4611 13.0943 13.0943 k = 0.0789 0.5000 0.2477 ( 5852 PWs) bands (ev): -17.7857 -17.7857 -17.7857 -17.7857 -4.9947 -4.9947 -4.9911 -4.9911 -4.2287 -4.2287 -4.2150 -4.2150 -3.4317 -3.4317 -3.3829 -3.3829 -2.3678 -2.3678 -2.3076 -2.3076 -1.2902 -1.2902 -1.2701 -1.2701 5.3014 5.3014 5.3277 5.3277 5.5886 5.5886 5.5978 5.5978 6.1426 6.1426 6.1428 6.1428 7.2077 7.2077 7.2098 7.2098 7.4376 7.4376 7.4764 7.4764 7.5132 7.5132 7.5384 7.5384 11.9594 11.9594 11.9736 11.9736 12.4105 12.4105 12.4461 12.4461 13.0905 13.0905 k = 0.0921 0.5000 0.2477 ( 5860 PWs) bands (ev): -17.7850 -17.7850 -17.7849 -17.7849 -4.9886 -4.9886 -4.9844 -4.9844 -4.2230 -4.2230 -4.2071 -4.2071 -3.4357 -3.4357 -3.3788 -3.3788 -2.3811 -2.3811 -2.3107 -2.3107 -1.3087 -1.3087 -1.2852 -1.2852 5.2546 5.2546 5.2807 5.2807 5.5952 5.5952 5.6022 5.6022 6.1777 6.1777 6.1782 6.1782 7.2391 7.2391 7.2409 7.2409 7.4427 7.4427 7.4830 7.4830 7.5319 7.5319 7.5570 7.5570 11.9328 11.9328 11.9489 11.9489 12.3872 12.3872 12.4284 12.4284 13.0862 13.0863 k = 0.1053 0.5000 0.2477 ( 5852 PWs) bands (ev): -17.7841 -17.7841 -17.7841 -17.7841 -4.9816 -4.9816 -4.9767 -4.9767 -4.2162 -4.2162 -4.1983 -4.1983 -3.4397 -3.4397 -3.3746 -3.3746 -2.3954 -2.3954 -2.3149 -2.3149 -1.3296 -1.3296 -1.3026 -1.3026 5.2056 5.2056 5.2313 5.2313 5.6030 5.6030 5.6081 5.6081 6.2136 6.2136 6.2148 6.2148 7.2731 7.2731 7.2742 7.2742 7.4493 7.4493 7.4906 7.4906 7.5533 7.5533 7.5782 7.5782 11.9027 11.9027 11.9203 11.9203 12.3619 12.3619 12.4084 12.4084 13.0816 13.0816 k = 0.1184 0.5000 0.2477 ( 5860 PWs) bands (ev): -17.7831 -17.7831 -17.7831 -17.7831 -4.9738 -4.9738 -4.9682 -4.9682 -4.2086 -4.2086 -4.1886 -4.1886 -3.4436 -3.4436 -3.3702 -3.3702 -2.4108 -2.4108 -2.3200 -2.3200 -1.3527 -1.3527 -1.3221 -1.3221 5.1551 5.1551 5.1804 5.1804 5.6119 5.6119 5.6152 5.6152 6.2500 6.2500 6.2521 6.2521 7.3086 7.3086 7.3089 7.3089 7.4575 7.4575 7.4991 7.4991 7.5773 7.5773 7.6022 7.6022 11.8693 11.8693 11.8881 11.8881 12.3348 12.3348 12.3863 12.3863 13.0766 13.0766 k = 0.1316 0.5000 0.2477 ( 5848 PWs) bands (ev): -17.7821 -17.7821 -17.7821 -17.7821 -4.9653 -4.9653 -4.9590 -4.9590 -4.2000 -4.2000 -4.1780 -4.1780 -3.4473 -3.4473 -3.3657 -3.3657 -2.4270 -2.4270 -2.3260 -2.3260 -1.3779 -1.3779 -1.3437 -1.3437 5.1039 5.1039 5.1287 5.1287 5.6218 5.6218 5.6236 5.6236 6.2867 6.2867 6.2896 6.2896 7.3427 7.3427 7.3455 7.3455 7.4673 7.4673 7.5084 7.5084 7.6044 7.6044 7.6294 7.6294 11.8329 11.8329 11.8525 11.8525 12.3064 12.3064 12.3623 12.3623 13.0709 13.0709 k = 0.1447 0.5000 0.2477 ( 5844 PWs) bands (ev): -17.7810 -17.7810 -17.7809 -17.7809 -4.9561 -4.9561 -4.9492 -4.9492 -4.1905 -4.1905 -4.1667 -4.1667 -3.4508 -3.4508 -3.3610 -3.3610 -2.4441 -2.4441 -2.3327 -2.3327 -1.4051 -1.4051 -1.3672 -1.3672 5.0523 5.0523 5.0767 5.0767 5.6327 5.6327 5.6331 5.6331 6.3234 6.3234 6.3272 6.3272 7.3751 7.3751 7.3819 7.3819 7.4792 7.4792 7.5183 7.5183 7.6347 7.6347 7.6600 7.6600 11.7940 11.7940 11.8141 11.8141 12.2768 12.2768 12.3367 12.3367 13.0644 13.0644 k = 0.1579 0.5000 0.2477 ( 5832 PWs) bands (ev): -17.7797 -17.7797 -17.7797 -17.7797 -4.9463 -4.9463 -4.9387 -4.9387 -4.1803 -4.1803 -4.1546 -4.1546 -3.4541 -3.4541 -3.3561 -3.3561 -2.4619 -2.4619 -2.3402 -2.3402 -1.4340 -1.4340 -1.3923 -1.3923 5.0008 5.0008 5.0248 5.0248 5.6438 5.6438 5.6445 5.6445 6.3601 6.3601 6.3646 6.3646 7.4040 7.4040 7.4173 7.4173 7.4937 7.4937 7.5286 7.5286 7.6685 7.6685 7.6943 7.6943 11.7531 11.7531 11.7734 11.7734 12.2464 12.2464 12.3097 12.3097 13.0566 13.0566 k = 0.1711 0.5000 0.2477 ( 5840 PWs) bands (ev): -17.7785 -17.7785 -17.7784 -17.7784 -4.9360 -4.9360 -4.9277 -4.9277 -4.1692 -4.1692 -4.1419 -4.1419 -3.4570 -3.4570 -3.3508 -3.3508 -2.4803 -2.4803 -2.3483 -2.3483 -1.4645 -1.4645 -1.4190 -1.4190 4.9498 4.9498 4.9733 4.9733 5.6556 5.6556 5.6573 5.6573 6.3963 6.3963 6.4015 6.4015 7.4281 7.4281 7.4507 7.4507 7.5114 7.5114 7.5392 7.5392 7.7061 7.7061 7.7324 7.7324 11.7108 11.7108 11.7310 11.7310 12.2153 12.2153 12.2814 12.2814 13.0470 13.0470 k = 0.1842 0.5000 0.2477 ( 5848 PWs) bands (ev): -17.7771 -17.7771 -17.7771 -17.7771 -4.9253 -4.9253 -4.9164 -4.9164 -4.1575 -4.1575 -4.1286 -4.1286 -3.4596 -3.4596 -3.3453 -3.3453 -2.4993 -2.4993 -2.3570 -2.3570 -1.4964 -1.4964 -1.4471 -1.4471 4.8995 4.8995 4.9226 4.9226 5.6686 5.6686 5.6711 5.6711 6.4320 6.4320 6.4378 6.4378 7.4470 7.4470 7.4813 7.4813 7.5319 7.5319 7.5501 7.5501 7.7472 7.7472 7.7740 7.7740 11.6676 11.6676 11.6875 11.6875 12.1836 12.1836 12.2520 12.2520 13.0352 13.0352 k = 0.1974 0.5000 0.2477 ( 5860 PWs) bands (ev): -17.7758 -17.7758 -17.7757 -17.7757 -4.9143 -4.9143 -4.9047 -4.9047 -4.1451 -4.1451 -4.1147 -4.1147 -3.4617 -3.4617 -3.3394 -3.3394 -2.5188 -2.5188 -2.3661 -2.3661 -1.5296 -1.5296 -1.4764 -1.4764 4.8502 4.8502 4.8728 4.8728 5.6827 5.6827 5.6858 5.6858 6.4669 6.4669 6.4732 6.4732 7.4614 7.4614 7.5080 7.5080 7.5541 7.5541 7.5621 7.5621 7.7917 7.7917 7.8190 7.8190 11.6241 11.6241 11.6436 11.6436 12.1515 12.1515 12.2218 12.2218 13.0207 13.0207 k = 0.2105 0.5000 0.2477 ( 5860 PWs) bands (ev): -17.7743 -17.7743 -17.7743 -17.7743 -4.9030 -4.9030 -4.8928 -4.8928 -4.1321 -4.1321 -4.1004 -4.1004 -3.4633 -3.4633 -3.3331 -3.3331 -2.5387 -2.5387 -2.3758 -2.3758 -1.5637 -1.5637 -1.5066 -1.5066 4.8020 4.8020 4.8241 4.8241 5.6980 5.6980 5.7017 5.7017 6.5007 6.5007 6.5074 6.5074 7.4723 7.4723 7.5291 7.5291 7.5764 7.5764 7.5769 7.5769 7.8389 7.8389 7.8666 7.8666 11.5808 11.5808 11.5999 11.5999 12.1191 12.1191 12.1907 12.1907 13.0033 13.0033 k = 0.2237 0.5000 0.2477 ( 5864 PWs) bands (ev): -17.7729 -17.7729 -17.7728 -17.7728 -4.8916 -4.8916 -4.8808 -4.8808 -4.1186 -4.1186 -4.0856 -4.0856 -3.4643 -3.4643 -3.3263 -3.3263 -2.5589 -2.5589 -2.3859 -2.3859 -1.5987 -1.5987 -1.5377 -1.5377 4.7553 4.7553 4.7768 4.7768 5.7145 5.7145 5.7186 5.7186 6.5332 6.5332 6.5401 6.5401 7.4805 7.4805 7.5433 7.5433 7.5947 7.5947 7.5996 7.5996 7.8884 7.8884 7.9164 7.9164 11.5384 11.5384 11.5571 11.5571 12.0865 12.0865 12.1590 12.1590 12.9828 12.9828 k = 0.2368 0.5000 0.2477 ( 5860 PWs) bands (ev): -17.7714 -17.7714 -17.7714 -17.7714 -4.8802 -4.8802 -4.8687 -4.8687 -4.1046 -4.1046 -4.0705 -4.0705 -3.4646 -3.4646 -3.3191 -3.3191 -2.5794 -2.5794 -2.3964 -2.3964 -1.6342 -1.6342 -1.5693 -1.5693 4.7100 4.7100 4.7310 4.7310 5.7322 5.7322 5.7367 5.7367 6.5640 6.5640 6.5711 6.5711 7.4863 7.4863 7.5512 7.5512 7.6159 7.6159 7.6217 7.6217 7.9395 7.9395 7.9676 7.9676 11.4972 11.4972 11.5155 11.5155 12.0538 12.0538 12.1268 12.1268 12.9596 12.9676 k = 0.2500 0.5000 0.2477 ( 5872 PWs) bands (ev): -17.7699 -17.7699 -17.7699 -17.7699 -4.8688 -4.8688 -4.8568 -4.8568 -4.0902 -4.0902 -4.0552 -4.0552 -3.4642 -3.4642 -3.3114 -3.3114 -2.6000 -2.6000 -2.4073 -2.4073 -1.6700 -1.6700 -1.6013 -1.6013 4.6665 4.6665 4.6868 4.6868 5.7513 5.7513 5.7560 5.7560 6.5928 6.5928 6.5999 6.5999 7.4900 7.4900 7.5547 7.5547 7.6384 7.6384 7.6431 7.6431 7.9916 7.9916 8.0197 8.0197 11.4577 11.4577 11.4758 11.4758 12.0211 12.0211 12.0943 12.0943 12.9340 12.9415 k = 0.2632 0.5000 0.2477 ( 5872 PWs) bands (ev): -17.7684 -17.7684 -17.7684 -17.7684 -4.8575 -4.8575 -4.8451 -4.8451 -4.0754 -4.0754 -4.0397 -4.0397 -3.4630 -3.4630 -3.3033 -3.3033 -2.6207 -2.6207 -2.4187 -2.4187 -1.7058 -1.7058 -1.6335 -1.6335 4.6247 4.6247 4.6443 4.6443 5.7717 5.7717 5.7765 5.7765 6.6192 6.6192 6.6263 6.6263 7.4917 7.4917 7.5549 7.5549 7.6612 7.6612 7.6640 7.6640 8.0441 8.0441 8.0721 8.0721 11.4203 11.4203 11.4382 11.4382 11.9885 11.9885 12.0615 12.0615 12.9060 12.9060 k = 0.2763 0.5000 0.2477 ( 5872 PWs) bands (ev): -17.7669 -17.7669 -17.7669 -17.7669 -4.8465 -4.8465 -4.8338 -4.8338 -4.0604 -4.0604 -4.0241 -4.0241 -3.4609 -3.4609 -3.2947 -3.2947 -2.6414 -2.6414 -2.4306 -2.4306 -1.7413 -1.7413 -1.6657 -1.6657 4.5848 4.5848 4.6037 4.6037 5.7935 5.7935 5.7984 5.7984 6.6428 6.6428 6.6499 6.6499 7.4914 7.4914 7.5525 7.5525 7.6836 7.6836 7.6844 7.6844 8.0966 8.0966 8.1243 8.1243 11.3853 11.3853 11.4030 11.4030 11.9561 11.9561 12.0286 12.0286 12.8770 12.8771 k = 0.2895 0.5000 0.2477 ( 5884 PWs) bands (ev): -17.7655 -17.7655 -17.7654 -17.7654 -4.8358 -4.8358 -4.8228 -4.8228 -4.0451 -4.0451 -4.0085 -4.0085 -3.4579 -3.4579 -3.2857 -3.2857 -2.6619 -2.6619 -2.4430 -2.4430 -1.7763 -1.7763 -1.6977 -1.6977 4.5469 4.5469 4.5650 4.5650 5.8167 5.8167 5.8216 5.8216 6.6633 6.6633 6.6703 6.6703 7.4895 7.4895 7.5478 7.5478 7.7042 7.7042 7.7057 7.7057 8.1487 8.1487 8.1758 8.1758 11.3528 11.3528 11.3706 11.3706 11.9242 11.9242 11.9958 11.9958 12.8491 12.8497 k = 0.3026 0.5000 0.2477 ( 5876 PWs) bands (ev): -17.7640 -17.7640 -17.7640 -17.7640 -4.8255 -4.8255 -4.8123 -4.8123 -4.0298 -4.0298 -3.9929 -3.9929 -3.4540 -3.4540 -3.2764 -3.2764 -2.6822 -2.6822 -2.4562 -2.4562 -1.8104 -1.8104 -1.7292 -1.7292 4.5110 4.5110 4.5283 4.5283 5.8414 5.8414 5.8461 5.8461 6.6801 6.6801 6.6871 6.6871 7.4861 7.4861 7.5413 7.5413 7.7235 7.7235 7.7270 7.7270 8.1999 8.1999 8.2263 8.2263 11.3231 11.3231 11.3410 11.3410 11.8928 11.8928 11.9632 11.9632 12.8187 12.8188 k = 0.3158 0.5000 0.2477 ( 5868 PWs) bands (ev): -17.7626 -17.7626 -17.7626 -17.7626 -4.8156 -4.8156 -4.8024 -4.8024 -4.0144 -4.0144 -3.9776 -3.9776 -3.4490 -3.4490 -3.2669 -3.2669 -2.7021 -2.7021 -2.4701 -2.4701 -1.8432 -1.8432 -1.7601 -1.7601 4.4773 4.4773 4.4937 4.4937 5.8676 5.8676 5.8721 5.8721 6.6930 6.6930 6.7000 6.7000 7.4817 7.4817 7.5334 7.5334 7.7422 7.7422 7.7476 7.7476 8.2498 8.2498 8.2754 8.2754 11.2962 11.2962 11.3142 11.3142 11.8622 11.8622 11.9310 11.9310 12.7889 12.7889 k = 0.3289 0.5000 0.2477 ( 5872 PWs) bands (ev): -17.7613 -17.7613 -17.7613 -17.7613 -4.8062 -4.8062 -4.7932 -4.7932 -3.9991 -3.9991 -3.9625 -3.9625 -3.4430 -3.4430 -3.2574 -3.2574 -2.7213 -2.7213 -2.4849 -2.4849 -1.8745 -1.8745 -1.7902 -1.7902 4.4457 4.4457 4.4613 4.4613 5.8952 5.8952 5.8995 5.8995 6.7014 6.7014 6.7085 6.7085 7.4766 7.4766 7.5245 7.5245 7.7603 7.7603 7.7673 7.7673 8.2981 8.2981 8.3227 8.3227 11.2722 11.2722 11.2904 11.2904 11.8325 11.8325 11.8994 11.8994 12.7603 12.7604 k = 0.3421 0.5000 0.2477 ( 5884 PWs) bands (ev): -17.7600 -17.7600 -17.7600 -17.7600 -4.7975 -4.7975 -4.7846 -4.7846 -3.9839 -3.9839 -3.9479 -3.9479 -3.4358 -3.4358 -3.2480 -3.2480 -2.7396 -2.7396 -2.5007 -2.5007 -1.9039 -1.9039 -1.8192 -1.8192 4.4164 4.4164 4.4310 4.4310 5.9244 5.9244 5.9283 5.9283 6.7052 6.7052 6.7125 6.7125 7.4712 7.4712 7.5151 7.5151 7.7777 7.7777 7.7860 7.7860 8.3444 8.3444 8.3678 8.3678 11.2510 11.2510 11.2693 11.2693 11.8041 11.8041 11.8686 11.8686 12.7336 12.7337 k = 0.3553 0.5000 0.2477 ( 5888 PWs) bands (ev): -17.7588 -17.7588 -17.7588 -17.7588 -4.7893 -4.7893 -4.7768 -4.7768 -3.9690 -3.9690 -3.9338 -3.9338 -3.4276 -3.4276 -3.2392 -3.2392 -2.7567 -2.7567 -2.5175 -2.5175 -1.9311 -1.9311 -1.8472 -1.8472 4.3894 4.3894 4.4030 4.4030 5.9550 5.9550 5.9585 5.9585 6.7041 6.7041 6.7116 6.7116 7.4660 7.4660 7.5058 7.5058 7.7943 7.7943 7.8035 7.8035 8.3884 8.3884 8.4105 8.4105 11.2326 11.2326 11.2509 11.2509 11.7770 11.7770 11.8388 11.8388 12.7089 12.7092 k = 0.3684 0.5000 0.2477 ( 5888 PWs) bands (ev): -17.7576 -17.7576 -17.7576 -17.7576 -4.7817 -4.7817 -4.7698 -4.7698 -3.9545 -3.9545 -3.9205 -3.9205 -3.4182 -3.4182 -3.2312 -3.2312 -2.7722 -2.7722 -2.5355 -2.5355 -1.9557 -1.9557 -1.8738 -1.8738 4.3647 4.3647 4.3772 4.3772 5.9869 5.9869 5.9900 5.9900 6.6980 6.6980 6.7057 6.7057 7.4613 7.4613 7.4969 7.4969 7.8099 7.8099 7.8197 7.8197 8.4299 8.4299 8.4505 8.4505 11.2168 11.2168 11.2350 11.2350 11.7516 11.7516 11.8102 11.8102 12.6864 12.6868 k = 0.3816 0.5000 0.2477 ( 5884 PWs) bands (ev): -17.7566 -17.7566 -17.7566 -17.7566 -4.7747 -4.7747 -4.7636 -4.7636 -3.9405 -3.9405 -3.9081 -3.9081 -3.4077 -3.4077 -3.2245 -3.2245 -2.7855 -2.7855 -2.5547 -2.5547 -1.9777 -1.9777 -1.8989 -1.8989 4.3424 4.3424 4.3538 4.3538 6.0202 6.0202 6.0227 6.0227 6.6870 6.6870 6.6949 6.6949 7.4574 7.4574 7.4888 7.4888 7.8246 7.8246 7.8346 7.8346 8.4685 8.4685 8.4875 8.4875 11.2035 11.2035 11.2214 11.2214 11.7281 11.7281 11.7829 11.7829 12.6662 12.6665 k = 0.3947 0.5000 0.2477 ( 5888 PWs) bands (ev): -17.7556 -17.7556 -17.7556 -17.7556 -4.7685 -4.7685 -4.7581 -4.7581 -3.9271 -3.9271 -3.8967 -3.8967 -3.3960 -3.3960 -3.2196 -3.2196 -2.7962 -2.7962 -2.5750 -2.5750 -1.9967 -1.9967 -1.9224 -1.9224 4.3224 4.3224 4.3327 4.3327 6.0546 6.0546 6.0565 6.0565 6.6713 6.6713 6.6794 6.6794 7.4544 7.4544 7.4816 7.4816 7.8381 7.8381 7.8481 7.8481 8.5039 8.5039 8.5212 8.5212 11.1926 11.1926 11.2098 11.2098 11.7067 11.7067 11.7573 11.7573 12.6484 12.6486 k = 0.4079 0.5000 0.2477 ( 5888 PWs) bands (ev): -17.7547 -17.7547 -17.7547 -17.7547 -4.7629 -4.7629 -4.7535 -4.7535 -3.9146 -3.9146 -3.8866 -3.8866 -3.3832 -3.3832 -3.2170 -3.2170 -2.8036 -2.8036 -2.5963 -2.5963 -2.0127 -2.0127 -1.9442 -1.9442 4.3049 4.3049 4.3139 4.3139 6.0899 6.0899 6.0912 6.0912 6.6515 6.6515 6.6596 6.6596 7.4524 7.4524 7.4755 7.4755 7.8504 7.8504 7.8599 7.8599 8.5359 8.5359 8.5513 8.5513 11.1838 11.1838 11.2001 11.2001 11.6876 11.6876 11.7335 11.7335 12.6329 12.6330 k = 0.4211 0.5000 0.2477 ( 5896 PWs) bands (ev): -17.7540 -17.7540 -17.7539 -17.7539 -4.7579 -4.7579 -4.7496 -4.7496 -3.9030 -3.9030 -3.8779 -3.8779 -3.3694 -3.3694 -3.2171 -3.2171 -2.8074 -2.8074 -2.6185 -2.6185 -2.0255 -2.0255 -1.9642 -1.9642 4.2897 4.2897 4.2975 4.2975 6.1258 6.1258 6.1264 6.1264 6.6281 6.6281 6.6360 6.6360 7.4512 7.4512 7.4705 7.4705 7.8614 7.8614 7.8702 7.8702 8.5644 8.5644 8.5778 8.5778 11.1771 11.1771 11.1920 11.1920 11.6711 11.6711 11.7118 11.7118 12.6197 12.6220 k = 0.4342 0.5000 0.2477 ( 5896 PWs) bands (ev): -17.7533 -17.7533 -17.7533 -17.7533 -4.7536 -4.7536 -4.7465 -4.7465 -3.8924 -3.8924 -3.8706 -3.8706 -3.3547 -3.3547 -3.2202 -3.2202 -2.8072 -2.8072 -2.6412 -2.6412 -2.0353 -2.0353 -1.9823 -1.9823 4.2770 4.2770 4.2835 4.2835 6.1618 6.1618 6.1619 6.1619 6.6019 6.6019 6.6095 6.6095 7.4508 7.4508 7.4665 7.4665 7.8711 7.8711 7.8788 7.8788 8.5890 8.5890 8.6003 8.6003 11.1720 11.1720 11.1853 11.1853 11.6574 11.6574 11.6923 11.6923 12.6092 12.6104 k = 0.4474 0.5000 0.2477 ( 5900 PWs) bands (ev): -17.7528 -17.7528 -17.7527 -17.7527 -4.7500 -4.7500 -4.7442 -4.7442 -3.8831 -3.8831 -3.8651 -3.8651 -3.3392 -3.3392 -3.2263 -3.2263 -2.8030 -2.8030 -2.6641 -2.6641 -2.0420 -2.0420 -1.9983 -1.9983 4.2667 4.2667 4.2719 4.2719 6.1966 6.1966 6.1973 6.1973 6.5742 6.5742 6.5811 6.5811 7.4510 7.4510 7.4633 7.4633 7.8792 7.8792 7.8857 7.8857 8.6096 8.6096 8.6187 8.6187 11.1686 11.1686 11.1798 11.1798 11.6467 11.6467 11.6753 11.6753 12.6001 12.6007 k = 0.4605 0.5000 0.2477 ( 5896 PWs) bands (ev): -17.7523 -17.7523 -17.7523 -17.7523 -4.7470 -4.7470 -4.7425 -4.7425 -3.8751 -3.8751 -3.8612 -3.8612 -3.3232 -3.3232 -3.2352 -3.2352 -2.7947 -2.7947 -2.6870 -2.6870 -2.0458 -2.0458 -2.0122 -2.0122 4.2588 4.2588 4.2628 4.2628 6.2295 6.2295 6.2307 6.2307 6.5465 6.5465 6.5525 6.5525 7.4517 7.4517 7.4607 7.4607 7.8858 7.8858 7.8909 7.8909 8.6260 8.6260 8.6329 8.6329 11.1665 11.1665 11.1753 11.1753 11.6391 11.6391 11.6610 11.6610 12.5935 12.5940 k = 0.4737 0.5000 0.2477 ( 5896 PWs) bands (ev): -17.7520 -17.7520 -17.7520 -17.7520 -4.7446 -4.7446 -4.7416 -4.7416 -3.8686 -3.8686 -3.8591 -3.8591 -3.3069 -3.3069 -3.2466 -3.2466 -2.7828 -2.7828 -2.7092 -2.7092 -2.0467 -2.0467 -2.0239 -2.0239 4.2534 4.2534 4.2560 4.2560 6.2586 6.2586 6.2599 6.2599 6.5214 6.5214 6.5260 6.5260 7.4527 7.4527 7.4586 7.4586 7.8909 7.8909 7.8943 7.8943 8.6382 8.6382 8.6428 8.6428 11.1656 11.1656 11.1716 11.1716 11.6347 11.6347 11.6495 11.6495 12.5888 12.5891 k = 0.4868 0.5000 0.2477 ( 5900 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7429 -4.7429 -4.7414 -4.7414 -3.8636 -3.8636 -3.8589 -3.8589 -3.2906 -3.2906 -3.2600 -3.2600 -2.7678 -2.7678 -2.7304 -2.7304 -2.0448 -2.0448 -2.0333 -2.0333 4.2504 4.2504 4.2517 4.2517 6.2800 6.2800 6.2810 6.2810 6.5031 6.5031 6.5057 6.5057 7.4539 7.4539 7.4569 7.4569 7.8943 7.8943 7.8960 7.8960 8.6460 8.6460 8.6483 8.6483 11.1658 11.1658 11.1689 11.1689 11.6335 11.6335 11.6410 11.6410 12.5860 12.5863 k = 0.5000 0.5000 0.2477 ( 5896 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7418 -4.7418 -4.7418 -4.7418 -3.8604 -3.8604 -3.8604 -3.8604 -3.2748 -3.2748 -3.2748 -3.2748 -2.7502 -2.7502 -2.7502 -2.7502 -2.0403 -2.0403 -2.0403 -2.0403 4.2498 4.2498 4.2498 4.2498 6.2885 6.2885 6.2885 6.2885 6.4970 6.4970 6.4970 6.4970 7.4553 7.4553 7.4553 7.4553 7.8960 7.8960 7.8960 7.8960 8.6494 8.6494 8.6494 8.6494 11.1669 11.1669 11.1669 11.1669 11.6357 11.6357 11.6357 11.6357 12.5852 12.5852 k = 0.5000 0.5000 0.2477 ( 5896 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7418 -4.7418 -4.7418 -4.7418 -3.8604 -3.8604 -3.8604 -3.8604 -3.2748 -3.2748 -3.2748 -3.2748 -2.7502 -2.7502 -2.7502 -2.7502 -2.0403 -2.0403 -2.0403 -2.0403 4.2498 4.2498 4.2498 4.2498 6.2885 6.2885 6.2885 6.2885 6.4970 6.4970 6.4970 6.4970 7.4553 7.4553 7.4553 7.4553 7.8960 7.8960 7.8960 7.8960 8.6494 8.6494 8.6494 8.6494 11.1669 11.1669 11.1669 11.1669 11.6357 11.6357 11.6357 11.6357 12.5852 12.5852 k = 0.4907 0.4907 0.2477 ( 5898 PWs) bands (ev): -17.7519 -17.7519 -17.7518 -17.7518 -4.7429 -4.7429 -4.7414 -4.7414 -3.8637 -3.8637 -3.8588 -3.8588 -3.2905 -3.2905 -3.2601 -3.2601 -2.7677 -2.7677 -2.7305 -2.7305 -2.0448 -2.0448 -2.0334 -2.0334 4.2499 4.2499 4.2521 4.2521 6.2743 6.2743 6.2874 6.2874 6.4951 6.4951 6.5131 6.5131 7.4538 7.4538 7.4570 7.4570 7.8936 7.8936 7.8967 7.8967 8.6451 8.6451 8.6493 8.6493 11.1655 11.1655 11.1691 11.1691 11.6329 11.6329 11.6416 11.6416 12.5860 12.5864 k = 0.4815 0.4815 0.2477 ( 5902 PWs) bands (ev): -17.7522 -17.7522 -17.7518 -17.7518 -4.7445 -4.7445 -4.7416 -4.7416 -3.8689 -3.8689 -3.8587 -3.8587 -3.3067 -3.3067 -3.2468 -3.2468 -2.7827 -2.7827 -2.7094 -2.7094 -2.0468 -2.0468 -2.0239 -2.0239 4.2509 4.2509 4.2583 4.2583 6.2402 6.2402 6.2837 6.2837 6.4896 6.4896 6.5527 6.5527 7.4517 7.4517 7.4595 7.4595 7.8873 7.8873 7.8980 7.8980 8.6332 8.6332 8.6481 8.6481 11.1638 11.1638 11.1734 11.1734 11.6304 11.6304 11.6536 11.6536 12.5879 12.5879 k = 0.4722 0.4722 0.2477 ( 5908 PWs) bands (ev): -17.7528 -17.7528 -17.7518 -17.7518 -4.7468 -4.7468 -4.7426 -4.7426 -3.8763 -3.8763 -3.8599 -3.8599 -3.3228 -3.3228 -3.2356 -3.2356 -2.7946 -2.7946 -2.6873 -2.6873 -2.0462 -2.0462 -2.0120 -2.0120 4.2527 4.2527 4.2687 4.2687 6.1978 6.1978 6.2777 6.2777 6.4805 6.4805 6.6041 6.6041 7.4486 7.4486 7.4633 7.4633 7.8770 7.8770 7.9001 7.9001 8.6138 8.6138 8.6460 8.6460 11.1612 11.1612 11.1804 11.1804 11.6272 11.6272 11.6725 11.6725 12.5913 12.5913 k = 0.4630 0.4630 0.2477 ( 5912 PWs) bands (ev): -17.7537 -17.7537 -17.7518 -17.7518 -4.7496 -4.7496 -4.7442 -4.7442 -3.8859 -3.8859 -3.8621 -3.8621 -3.3385 -3.3385 -3.2268 -3.2268 -2.8031 -2.8031 -2.6645 -2.6645 -2.0432 -2.0432 -1.9977 -1.9977 4.2551 4.2551 4.2831 4.2831 6.1528 6.1528 6.2694 6.2694 6.4680 6.4680 6.6617 6.6617 7.4444 7.4444 7.4683 7.4683 7.8629 7.8629 7.9029 7.9029 8.5871 8.5871 8.6430 8.6430 11.1576 11.1576 11.1906 11.1906 11.6229 11.6229 11.6982 11.6982 12.5963 12.5964 k = 0.4537 0.4537 0.2477 ( 5900 PWs) bands (ev): -17.7547 -17.7547 -17.7518 -17.7518 -4.7529 -4.7529 -4.7464 -4.7464 -3.8976 -3.8976 -3.8653 -3.8653 -3.3536 -3.3536 -3.2210 -3.2210 -2.8079 -2.8079 -2.6417 -2.6417 -2.0375 -2.0375 -1.9810 -1.9810 4.2583 4.2583 4.3015 4.3015 6.1075 6.1075 6.2588 6.2588 6.4520 6.4520 6.7230 6.7230 7.4389 7.4389 7.4744 7.4744 7.8454 7.8454 7.9065 7.9065 8.5538 8.5538 8.6393 8.6393 11.1529 11.1529 11.2041 11.2041 11.6178 11.6178 11.7303 11.7303 12.6030 12.6030 k = 0.4444 0.4444 0.2477 ( 5900 PWs) bands (ev): -17.7560 -17.7560 -17.7519 -17.7519 -4.7566 -4.7566 -4.7494 -4.7494 -3.9115 -3.9115 -3.8693 -3.8693 -3.3678 -3.3678 -3.2182 -3.2182 -2.8090 -2.8090 -2.6190 -2.6190 -2.0293 -2.0293 -1.9620 -1.9620 4.2623 4.2623 4.3239 4.3239 6.0630 6.0630 6.2461 6.2461 6.4329 6.4329 6.7870 6.7870 7.4321 7.4321 7.4815 7.4815 7.8249 7.8249 7.9108 7.9108 8.5144 8.5144 8.6349 8.6349 11.1471 11.1471 11.2214 11.2214 11.6119 11.6119 11.7682 11.7682 12.6116 12.6116 k = 0.4352 0.4352 0.2477 ( 5900 PWs) bands (ev): -17.7576 -17.7576 -17.7519 -17.7519 -4.7607 -4.7607 -4.7529 -4.7529 -3.9273 -3.9273 -3.8741 -3.8741 -3.3809 -3.3809 -3.2184 -3.2184 -2.8066 -2.8066 -2.5968 -2.5968 -2.0184 -2.0184 -1.9408 -1.9408 4.2670 4.2670 4.3501 4.3501 6.0199 6.0199 6.2313 6.2313 6.4107 6.4107 6.8530 6.8530 7.4238 7.4238 7.4895 7.4895 7.8018 7.8018 7.9156 7.9156 8.4697 8.4697 8.6297 8.6297 11.1400 11.1400 11.2426 11.2426 11.6053 11.6053 11.8114 11.8114 12.6223 12.6223 k = 0.4259 0.4259 0.2477 ( 5892 PWs) bands (ev): -17.7593 -17.7593 -17.7520 -17.7520 -4.7652 -4.7652 -4.7569 -4.7569 -3.9449 -3.9449 -3.8796 -3.8796 -3.3930 -3.3930 -3.2211 -3.2211 -2.8013 -2.8013 -2.5754 -2.5754 -2.0050 -2.0050 -1.9176 -1.9176 4.2726 4.2726 4.3802 4.3802 5.9785 5.9785 6.2146 6.2146 6.3857 6.3857 6.9205 6.9205 7.4140 7.4140 7.4982 7.4982 7.7770 7.7770 7.9209 7.9209 8.4207 8.4207 8.6238 8.6238 11.1317 11.1317 11.2681 11.2681 11.5983 11.5983 11.8593 11.8593 12.6353 12.6353 k = 0.4167 0.4167 0.2477 ( 5888 PWs) bands (ev): -17.7613 -17.7613 -17.7521 -17.7521 -4.7702 -4.7702 -4.7612 -4.7612 -3.9641 -3.9641 -3.8858 -3.8858 -3.4038 -3.4038 -3.2260 -3.2260 -2.7935 -2.7935 -2.5549 -2.5549 -1.9891 -1.9891 -1.8926 -1.8926 4.2791 4.2791 4.4140 4.4140 5.9389 5.9389 6.1961 6.1961 6.3580 6.3580 6.9893 6.9893 7.4024 7.4024 7.5071 7.5071 7.7509 7.7509 7.9267 7.9267 8.3681 8.3681 8.6174 8.6174 11.1222 11.1222 11.2980 11.2980 11.5908 11.5908 11.9111 11.9111 12.6509 12.6509 k = 0.4074 0.4074 0.2477 ( 5888 PWs) bands (ev): -17.7634 -17.7634 -17.7521 -17.7521 -4.7756 -4.7756 -4.7657 -4.7657 -3.9848 -3.9848 -3.8926 -3.8926 -3.4135 -3.4135 -3.2326 -3.2326 -2.7840 -2.7840 -2.5354 -2.5354 -1.9707 -1.9707 -1.8660 -1.8660 4.2864 4.2864 4.4514 4.4514 5.9013 5.9013 6.1759 6.1759 6.3279 6.3279 7.0590 7.0590 7.3892 7.3892 7.5162 7.5162 7.7242 7.7242 7.9326 7.9326 8.3131 8.3131 8.6103 8.6103 11.1114 11.1114 11.3325 11.3325 11.5831 11.5831 11.9664 11.9664 12.6691 12.6691 k = 0.3981 0.3981 0.2477 ( 5894 PWs) bands (ev): -17.7658 -17.7658 -17.7522 -17.7522 -4.7816 -4.7816 -4.7703 -4.7703 -4.0067 -4.0067 -3.9000 -3.9000 -3.4218 -3.4218 -3.2402 -3.2402 -2.7733 -2.7733 -2.5170 -2.5170 -1.9500 -1.9500 -1.8381 -1.8381 4.2946 4.2946 4.4922 4.4922 5.8657 5.8657 6.1541 6.1541 6.2957 6.2957 7.1294 7.1294 7.3741 7.3741 7.5249 7.5249 7.6979 7.6979 7.9386 7.9386 8.2566 8.2566 8.6026 8.6026 11.0994 11.0994 11.3714 11.3714 11.5753 11.5753 12.0245 12.0245 12.6902 12.6902 k = 0.3889 0.3889 0.2477 ( 5890 PWs) bands (ev): -17.7684 -17.7684 -17.7523 -17.7523 -4.7882 -4.7882 -4.7746 -4.7746 -4.0296 -4.0296 -3.9079 -3.9079 -3.4290 -3.4290 -3.2486 -3.2486 -2.7621 -2.7621 -2.4997 -2.4997 -1.9273 -1.9273 -1.8092 -1.8092 4.3038 4.3038 4.5364 4.5364 5.8323 5.8323 6.1309 6.1309 6.2617 6.2617 7.2001 7.2001 7.3572 7.3572 7.5328 7.5328 7.6725 7.6725 7.9444 7.9444 8.2001 8.2001 8.5944 8.5944 11.0862 11.0862 11.4145 11.4145 11.5677 11.5677 12.0847 12.0847 12.7143 12.7143 k = 0.3796 0.3796 0.2477 ( 5878 PWs) bands (ev): -17.7711 -17.7711 -17.7524 -17.7524 -4.7953 -4.7953 -4.7787 -4.7787 -4.0534 -4.0534 -3.9164 -3.9164 -3.4350 -3.4350 -3.2572 -3.2572 -2.7505 -2.7505 -2.4834 -2.4834 -1.9028 -1.9028 -1.7797 -1.7797 4.3139 4.3139 4.5839 4.5839 5.8011 5.8011 6.1064 6.1064 6.2260 6.2260 7.2705 7.2705 7.3388 7.3388 7.5394 7.5394 7.6487 7.6487 7.9493 7.9493 8.1453 8.1453 8.5857 8.5857 11.0720 11.0720 11.4608 11.4608 11.5615 11.5615 12.1465 12.1465 12.7414 12.7414 k = 0.3704 0.3704 0.2477 ( 5886 PWs) bands (ev): -17.7740 -17.7740 -17.7525 -17.7525 -4.8030 -4.8030 -4.7823 -4.7823 -4.0778 -4.0778 -3.9253 -3.9253 -3.4398 -3.4398 -3.2658 -3.2658 -2.7391 -2.7391 -2.4681 -2.4681 -1.8767 -1.8767 -1.7499 -1.7499 4.3249 4.3249 4.6344 4.6344 5.7721 5.7721 6.0807 6.0807 6.1890 6.1890 7.3169 7.3169 7.3423 7.3423 7.5442 7.5442 7.6271 7.6271 7.9522 7.9522 8.0945 8.0945 8.5765 8.5765 11.0568 11.0568 11.5041 11.5041 11.5626 11.5626 12.2092 12.2092 12.7715 12.7715 k = 0.3611 0.3611 0.2477 ( 5886 PWs) bands (ev): -17.7771 -17.7771 -17.7526 -17.7526 -4.8111 -4.8111 -4.7855 -4.7855 -4.1027 -4.1027 -3.9346 -3.9346 -3.4434 -3.4434 -3.2741 -3.2741 -2.7280 -2.7280 -2.4537 -2.4537 -1.8495 -1.8495 -1.7202 -1.7202 4.3368 4.3368 4.6879 4.6879 5.7453 5.7453 6.0540 6.0540 6.1510 6.1510 7.2970 7.2970 7.4093 7.4093 7.5470 7.5470 7.6081 7.6081 7.9500 7.9500 8.0524 8.0524 8.5668 8.5668 11.0408 11.0408 11.5216 11.5216 11.5938 11.5938 12.2722 12.2722 12.8046 12.8046 k = 0.3519 0.3519 0.2477 ( 5902 PWs) bands (ev): -17.7804 -17.7804 -17.7528 -17.7528 -4.8197 -4.8197 -4.7882 -4.7882 -4.1280 -4.1280 -3.9444 -3.9444 -3.4460 -3.4460 -3.2819 -3.2819 -2.7174 -2.7174 -2.4401 -2.4401 -1.8214 -1.8214 -1.6909 -1.6909 4.3497 4.3497 4.7442 4.7442 5.7208 5.7208 6.0263 6.0263 6.1122 6.1122 7.2757 7.2757 7.4703 7.4703 7.5515 7.5515 7.5920 7.5920 7.9370 7.9370 8.0262 8.0262 8.5565 8.5565 11.0243 11.0243 11.5179 11.5179 11.6503 11.6503 12.3350 12.3350 12.8405 12.8405 k = 0.3426 0.3426 0.2477 ( 5894 PWs) bands (ev): -17.7838 -17.7838 -17.7529 -17.7529 -4.8286 -4.8286 -4.7904 -4.7904 -4.1534 -4.1534 -3.9545 -3.9545 -3.4474 -3.4474 -3.2890 -3.2890 -2.7073 -2.7073 -2.4271 -2.4271 -1.7930 -1.7930 -1.6625 -1.6625 4.3634 4.3634 4.8031 4.8031 5.6985 5.6985 5.9976 5.9976 6.0731 6.0731 7.2547 7.2547 7.5030 7.5030 7.5720 7.5720 7.5840 7.5840 7.9136 7.9136 8.0173 8.0173 8.5456 8.5456 11.0074 11.0074 11.5093 11.5093 11.7154 11.7154 12.3968 12.3968 12.8788 12.8788 k = 0.3333 0.3333 0.2477 ( 5888 PWs) bands (ev): -17.7873 -17.7873 -17.7531 -17.7531 -4.8377 -4.8377 -4.7921 -4.7921 -4.1788 -4.1788 -3.9649 -3.9649 -3.4478 -3.4478 -3.2955 -3.2955 -2.6978 -2.6978 -2.4147 -2.4147 -1.7646 -1.7646 -1.6351 -1.6351 4.3779 4.3779 4.8646 4.8646 5.6785 5.6785 5.9681 5.9681 6.0340 6.0340 7.2348 7.2348 7.5017 7.5017 7.5609 7.5609 7.6356 7.6356 7.8893 7.8893 8.0181 8.0181 8.5342 8.5342 10.9906 10.9906 11.4990 11.4990 11.7855 11.7855 12.4571 12.4571 12.9191 12.9191 k = 0.3241 0.3241 0.2477 ( 5880 PWs) bands (ev): -17.7909 -17.7909 -17.7532 -17.7532 -4.8472 -4.8472 -4.7931 -4.7931 -4.2040 -4.2040 -3.9756 -3.9756 -3.4471 -3.4471 -3.3011 -3.3011 -2.6889 -2.6889 -2.4027 -2.4027 -1.7365 -1.7365 -1.6092 -1.6092 4.3932 4.3932 4.9285 4.9285 5.6608 5.6608 5.9376 5.9376 5.9953 5.9953 7.2167 7.2167 7.4893 7.4893 7.5445 7.5445 7.6960 7.6960 7.8716 7.8716 8.0229 8.0229 8.5220 8.5220 10.9742 10.9742 11.4877 11.4877 11.8596 11.8596 12.5153 12.5153 12.9605 12.9605 k = 0.3148 0.3148 0.2477 ( 5890 PWs) bands (ev): -17.7947 -17.7947 -17.7534 -17.7534 -4.8568 -4.8568 -4.7936 -4.7936 -4.2287 -4.2287 -3.9865 -3.9865 -3.4455 -3.4455 -3.3058 -3.3058 -2.6805 -2.6805 -2.3913 -2.3913 -1.7093 -1.7093 -1.5851 -1.5851 4.4091 4.4091 4.9945 4.9945 5.6454 5.6454 5.9061 5.9061 5.9574 5.9574 7.2012 7.2012 7.4720 7.4720 7.5269 7.5269 7.7520 7.7520 7.8654 7.8654 8.0294 8.0294 8.5090 8.5090 10.9587 10.9587 11.4755 11.4755 11.9368 11.9368 12.5711 12.5711 13.0015 13.0015 k = 0.3056 0.3056 0.2477 ( 5890 PWs) bands (ev): -17.7985 -17.7985 -17.7536 -17.7536 -4.8667 -4.8667 -4.7934 -4.7934 -4.2529 -4.2529 -3.9977 -3.9977 -3.4429 -3.4429 -3.3097 -3.3097 -2.6726 -2.6726 -2.3802 -2.3802 -1.6834 -1.6834 -1.5629 -1.5629 4.4256 4.4256 5.0627 5.0627 5.6322 5.6322 5.8735 5.8735 5.9208 5.9208 7.1890 7.1890 7.4509 7.4509 7.5100 7.5100 7.7924 7.7924 7.8798 7.8798 8.0369 8.0369 8.4951 8.4951 10.9445 10.9445 11.4624 11.4624 12.0166 12.0166 12.6240 12.6240 13.0396 13.0396 k = 0.2963 0.2963 0.2477 ( 5896 PWs) bands (ev): -17.8025 -17.8025 -17.7538 -17.7538 -4.8767 -4.8767 -4.7927 -4.7927 -4.2763 -4.2763 -4.0090 -4.0090 -3.4393 -3.4393 -3.3126 -3.3126 -2.6651 -2.6651 -2.3695 -2.3695 -1.6590 -1.6590 -1.5428 -1.5428 4.4426 4.4426 5.1328 5.1328 5.6213 5.6213 5.8399 5.8399 5.8857 5.8857 7.1806 7.1806 7.4273 7.4273 7.4947 7.4947 7.8103 7.8103 7.9198 7.9198 8.0449 8.0449 8.4802 8.4802 10.9321 10.9321 11.4483 11.4483 12.0978 12.0978 12.6740 12.6740 13.0695 13.0695 k = 0.2870 0.2870 0.2477 ( 5892 PWs) bands (ev): -17.8065 -17.8065 -17.7540 -17.7540 -4.8869 -4.8869 -4.7914 -4.7914 -4.2987 -4.2987 -4.0205 -4.0205 -3.4348 -3.4348 -3.3146 -3.3146 -2.6580 -2.6580 -2.3591 -2.3591 -1.6367 -1.6367 -1.5252 -1.5252 4.4600 4.4600 5.2047 5.2047 5.6127 5.6127 5.8054 5.8054 5.8522 5.8522 7.1765 7.1765 7.4028 7.4028 7.4814 7.4814 7.8183 7.8183 7.9711 7.9711 8.0534 8.0534 8.4639 8.4639 10.9221 10.9221 11.4329 11.4329 12.1796 12.1796 12.7212 12.7212 13.0811 13.0811 k = 0.2778 0.2778 0.2477 ( 5884 PWs) bands (ev): -17.8106 -17.8106 -17.7543 -17.7543 -4.8974 -4.8974 -4.7896 -4.7896 -4.3199 -4.3199 -4.0321 -4.0321 -3.4295 -3.4295 -3.3158 -3.3158 -2.6511 -2.6511 -2.3491 -2.3491 -1.6168 -1.6168 -1.5099 -1.5099 4.4777 4.4777 5.2782 5.2782 5.6062 5.6062 5.7706 5.7706 5.8202 5.8202 7.1771 7.1771 7.3794 7.3794 7.4695 7.4695 7.8245 7.8245 8.0239 8.0239 8.0625 8.0625 8.4463 8.4463 10.9150 10.9150 11.4162 11.4162 12.2604 12.2604 12.7660 12.7660 13.0626 13.0626 k = 0.2685 0.2685 0.2477 ( 5882 PWs) bands (ev): -17.8147 -17.8147 -17.7545 -17.7545 -4.9081 -4.9081 -4.7874 -4.7874 -4.3395 -4.3395 -4.0438 -4.0438 -3.4232 -3.4232 -3.3160 -3.3160 -2.6443 -2.6443 -2.3394 -2.3394 -1.5997 -1.5997 -1.4972 -1.4972 4.4955 4.4955 5.3532 5.3532 5.6020 5.6020 5.7360 5.7360 5.7894 5.7894 7.1829 7.1829 7.3587 7.3587 7.4589 7.4589 7.8310 7.8310 8.0684 8.0684 8.0789 8.0789 8.4269 8.4269 10.9113 10.9113 11.3978 11.3978 12.3385 12.3385 12.8091 12.8091 13.0157 13.0157 k = 0.2593 0.2593 0.2477 ( 5882 PWs) bands (ev): -17.8188 -17.8188 -17.7547 -17.7547 -4.9192 -4.9192 -4.7848 -4.7848 -4.3575 -4.3575 -4.0555 -4.0555 -3.4161 -3.4161 -3.3154 -3.3154 -2.6377 -2.6377 -2.3302 -2.3302 -1.5857 -1.5857 -1.4871 -1.4871 4.5133 4.5133 5.4295 5.4295 5.5999 5.5999 5.7020 5.7020 5.7597 5.7597 7.1940 7.1940 7.3417 7.3417 7.4492 7.4492 7.8380 7.8380 8.0799 8.0799 8.1263 8.1263 8.4056 8.4056 10.9114 10.9114 11.3774 11.3774 12.4116 12.4116 12.8493 12.8493 12.9547 12.9547 k = 0.2500 0.2500 0.2477 ( 5880 PWs) bands (ev): -17.8230 -17.8230 -17.7550 -17.7550 -4.9306 -4.9306 -4.7818 -4.7818 -4.3735 -4.3735 -4.0672 -4.0672 -3.4081 -3.4081 -3.3139 -3.3139 -2.6310 -2.6310 -2.3213 -2.3213 -1.5750 -1.5750 -1.4794 -1.4794 4.5310 4.5310 5.5065 5.5065 5.6000 5.6000 5.6694 5.6694 5.7309 5.7309 7.2107 7.2107 7.3293 7.3293 7.4405 7.4405 7.8456 7.8456 8.0897 8.0897 8.1728 8.1728 8.3821 8.3821 10.9155 10.9155 11.3546 11.3546 12.4775 12.4775 12.8547 12.8547 12.9223 12.9223 k = 0.2407 0.2407 0.2477 ( 5876 PWs) bands (ev): -17.8271 -17.8271 -17.7553 -17.7553 -4.9424 -4.9424 -4.7786 -4.7786 -4.3874 -4.3874 -4.0789 -4.0789 -3.3993 -3.3993 -3.3116 -3.3116 -2.6244 -2.6244 -2.3130 -2.3130 -1.5681 -1.5681 -1.4742 -1.4742 4.5484 4.5484 5.5804 5.5804 5.6029 5.6029 5.6413 5.6413 5.7029 5.7029 7.2330 7.2330 7.3219 7.3219 7.4325 7.4325 7.8536 7.8536 8.0996 8.0996 8.2164 8.2164 8.3565 8.3565 10.9240 10.9240 11.3289 11.3289 12.5337 12.5337 12.7897 12.7897 12.9603 12.9603 k = 0.2315 0.2315 0.2477 ( 5870 PWs) bands (ev): -17.8313 -17.8313 -17.7555 -17.7555 -4.9547 -4.9547 -4.7752 -4.7752 -4.3990 -4.3990 -4.0905 -4.0905 -3.3897 -3.3897 -3.3086 -3.3086 -2.6175 -2.6175 -2.3051 -2.3051 -1.5649 -1.5649 -1.4714 -1.4714 4.5656 4.5656 5.5949 5.5949 5.6097 5.6097 5.6729 5.6729 5.6762 5.6762 7.2608 7.2608 7.3201 7.3201 7.4255 7.4255 7.8619 7.8619 8.1098 8.1098 8.2565 8.2565 8.3288 8.3288 10.9367 10.9367 11.2998 11.2998 12.5785 12.5785 12.7155 12.7155 12.9149 12.9149 k = 0.2222 0.2222 0.2477 ( 5866 PWs) bands (ev): -17.8354 -17.8354 -17.7558 -17.7558 -4.9675 -4.9675 -4.7718 -4.7718 -4.4082 -4.4082 -4.1020 -4.1020 -3.3792 -3.3792 -3.3048 -3.3048 -2.6105 -2.6105 -2.2979 -2.2979 -1.5655 -1.5655 -1.4710 -1.4710 4.5823 4.5823 5.5702 5.5702 5.6134 5.6134 5.6499 5.6499 5.7514 5.7514 7.2939 7.2939 7.3241 7.3241 7.4195 7.4195 7.8705 7.8705 8.1203 8.1203 8.2843 8.2843 8.3081 8.3081 10.9535 10.9535 11.2668 11.2668 12.6047 12.6047 12.6497 12.6497 12.7985 12.7985 k = 0.2130 0.2130 0.2477 ( 5850 PWs) bands (ev): -17.8395 -17.8395 -17.7561 -17.7561 -4.9808 -4.9808 -4.7683 -4.7683 -4.4148 -4.4148 -4.1133 -4.1133 -3.3680 -3.3680 -3.3003 -3.3003 -2.6033 -2.6033 -2.2913 -2.2913 -1.5700 -1.5700 -1.4729 -1.4729 4.5985 4.5985 5.5427 5.5427 5.6177 5.6177 5.6282 5.6282 5.8326 5.8326 7.3311 7.3311 7.3340 7.3340 7.4156 7.4156 7.8793 7.8793 8.1311 8.1311 8.2594 8.2594 8.3346 8.3346 10.9739 10.9739 11.2292 11.2292 12.5588 12.5588 12.6495 12.6495 12.6859 12.6859 k = 0.2037 0.2037 0.2477 ( 5860 PWs) bands (ev): -17.8435 -17.8435 -17.7564 -17.7564 -4.9945 -4.9945 -4.7647 -4.7647 -4.4189 -4.4189 -4.1245 -4.1245 -3.3560 -3.3560 -3.2950 -3.2950 -2.5958 -2.5958 -2.2855 -2.2855 -1.5781 -1.5781 -1.4772 -1.4772 4.6141 4.6141 5.5159 5.5159 5.5983 5.5983 5.6332 5.6332 5.9150 5.9150 7.3488 7.3488 7.3690 7.3690 7.4180 7.4180 7.8883 7.8883 8.1421 8.1421 8.2234 8.2234 8.3672 8.3672 10.9972 10.9972 11.1866 11.1866 12.4921 12.4921 12.5781 12.5781 12.6667 12.6667 k = 0.1944 0.1944 0.2477 ( 5850 PWs) bands (ev): -17.8475 -17.8475 -17.7567 -17.7567 -5.0087 -5.0087 -4.7612 -4.7612 -4.4205 -4.4205 -4.1354 -4.1354 -3.3432 -3.3432 -3.2892 -3.2892 -2.5879 -2.5879 -2.2806 -2.2806 -1.5897 -1.5897 -1.4838 -1.4838 4.6291 4.6291 5.4905 5.4905 5.5752 5.5752 5.6450 5.6450 5.9981 5.9981 7.3678 7.3678 7.3905 7.3905 7.4443 7.4443 7.8975 7.8975 8.1533 8.1533 8.1842 8.1842 8.3984 8.3984 11.0222 11.0222 11.1387 11.1387 12.4287 12.4287 12.4762 12.4762 12.6800 12.6800 k = 0.1852 0.1852 0.2477 ( 5846 PWs) bands (ev): -17.8514 -17.8514 -17.7570 -17.7570 -5.0233 -5.0233 -4.7576 -4.7576 -4.4197 -4.4197 -4.1461 -4.1461 -3.3297 -3.3297 -3.2826 -3.2826 -2.5797 -2.5797 -2.2766 -2.2766 -1.6044 -1.6044 -1.4928 -1.4928 4.6433 4.6433 5.4664 5.4664 5.5527 5.5527 5.6588 5.6588 6.0816 6.0816 7.3805 7.3805 7.4064 7.4064 7.4935 7.4935 7.9070 7.9070 8.1414 8.1414 8.1657 8.1657 8.4280 8.4280 11.0456 11.0456 11.0871 11.0871 12.3690 12.3690 12.3832 12.3832 12.6895 12.6895 k = 0.1759 0.1759 0.2477 ( 5850 PWs) bands (ev): -17.8551 -17.8551 -17.7573 -17.7573 -5.0382 -5.0382 -4.7541 -4.7541 -4.4168 -4.4168 -4.1565 -4.1565 -3.3155 -3.3155 -3.2754 -3.2754 -2.5711 -2.5711 -2.2736 -2.2736 -1.6221 -1.6221 -1.5039 -1.5039 4.6567 4.6567 5.4437 5.4437 5.5313 5.5313 5.6744 5.6744 6.1655 6.1655 7.3812 7.3812 7.4360 7.4360 7.5513 7.5513 7.9165 7.9165 8.0974 8.0974 8.1773 8.1773 8.4562 8.4562 11.0195 11.0195 11.0779 11.0779 12.2914 12.2914 12.3227 12.3227 12.6960 12.6960 k = 0.1667 0.1667 0.2477 ( 5848 PWs) bands (ev): -17.8588 -17.8588 -17.7576 -17.7576 -5.0532 -5.0532 -4.7505 -4.7505 -4.4119 -4.4119 -4.1666 -4.1666 -3.3007 -3.3007 -3.2675 -3.2675 -2.5620 -2.5620 -2.2719 -2.2719 -1.6422 -1.6422 -1.5171 -1.5171 4.6693 4.6693 5.4224 5.4224 5.5109 5.5109 5.6918 5.6918 6.2494 6.2494 7.3791 7.3791 7.4728 7.4728 7.6140 7.6140 7.9260 7.9260 8.0518 8.0518 8.1895 8.1895 8.4833 8.4833 10.9549 10.9549 11.0983 11.0983 12.2144 12.2144 12.2784 12.2784 12.7000 12.7000 k = 0.1574 0.1574 0.2477 ( 5852 PWs) bands (ev): -17.8624 -17.8624 -17.7579 -17.7579 -5.0683 -5.0683 -4.7469 -4.7469 -4.4053 -4.4053 -4.1763 -4.1763 -3.2857 -3.2857 -3.2587 -3.2587 -2.5525 -2.5525 -2.2714 -2.2714 -1.6647 -1.6647 -1.5321 -1.5321 4.6811 4.6811 5.4026 5.4026 5.4917 5.4917 5.7106 5.7106 6.3332 6.3332 7.3766 7.3766 7.5146 7.5146 7.6805 7.6805 7.9339 7.9339 8.0067 8.0067 8.2018 8.2018 8.5095 8.5095 10.8834 10.8834 11.1146 11.1146 12.1486 12.1486 12.2417 12.2417 12.6432 12.6432 k = 0.1481 0.1481 0.2477 ( 5848 PWs) bands (ev): -17.8658 -17.8658 -17.7581 -17.7581 -5.0834 -5.0834 -4.7432 -4.7432 -4.3972 -4.3972 -4.1856 -4.1856 -3.2709 -3.2709 -3.2484 -3.2484 -2.5425 -2.5425 -2.2723 -2.2723 -1.6891 -1.6891 -1.5487 -1.5487 4.6920 4.6920 5.3841 5.3841 5.4736 5.4736 5.7309 5.7309 6.4165 6.4165 7.3742 7.3742 7.5601 7.5601 7.7495 7.7495 7.9288 7.9288 7.9751 7.9751 8.2144 8.2144 8.5350 8.5350 10.8067 10.8067 11.1233 11.1233 12.0963 12.0963 12.2121 12.2121 12.5535 12.5535 k = 0.1389 0.1389 0.2477 ( 5854 PWs) bands (ev): -17.8691 -17.8691 -17.7584 -17.7584 -5.0982 -5.0982 -4.7395 -4.7395 -4.3880 -4.3880 -4.1946 -4.1946 -3.2572 -3.2572 -3.2360 -3.2360 -2.5321 -2.5321 -2.2747 -2.2747 -1.7152 -1.7152 -1.5665 -1.5665 4.7021 4.7021 5.3670 5.3670 5.4568 5.4568 5.7524 5.7524 6.4992 6.4992 7.3719 7.3719 7.6086 7.6086 7.8180 7.8180 7.8926 7.8926 7.9778 7.9778 8.2271 8.2271 8.5599 8.5599 10.7256 10.7256 11.1221 11.1221 12.0590 12.0590 12.1893 12.1893 12.4667 12.4667 k = 0.1296 0.1296 0.2477 ( 5858 PWs) bands (ev): -17.8722 -17.8722 -17.7587 -17.7587 -5.1127 -5.1127 -4.7357 -4.7357 -4.3778 -4.3778 -4.2030 -4.2030 -3.2453 -3.2453 -3.2210 -3.2210 -2.5212 -2.5212 -2.2785 -2.2785 -1.7427 -1.7427 -1.5851 -1.5851 4.7112 4.7112 5.3512 5.3512 5.4412 5.4412 5.7750 5.7750 6.5808 6.5808 7.3700 7.3700 7.6587 7.6587 7.8360 7.8360 7.8935 7.8935 7.9970 7.9970 8.2399 8.2399 8.5843 8.5843 10.6412 10.6412 11.1099 11.1099 12.0374 12.0374 12.1728 12.1728 12.3835 12.3835 k = 0.1204 0.1204 0.2477 ( 5858 PWs) bands (ev): -17.8752 -17.8752 -17.7589 -17.7589 -5.1267 -5.1267 -4.7319 -4.7319 -4.3670 -4.3670 -4.2110 -4.2110 -3.2348 -3.2348 -3.2038 -3.2038 -2.5099 -2.5099 -2.2839 -2.2839 -1.7715 -1.7715 -1.6041 -1.6041 4.7195 4.7195 5.3368 5.3368 5.4269 5.4269 5.7985 5.7985 6.6609 6.6609 7.3683 7.3683 7.7083 7.7083 7.7891 7.7891 7.9463 7.9463 8.0337 8.0337 8.2526 8.2526 8.6083 8.6083 10.5542 10.5542 11.0870 11.0870 12.0304 12.0304 12.1622 12.1622 12.3047 12.3047 k = 0.1111 0.1111 0.2477 ( 5864 PWs) bands (ev): -17.8779 -17.8779 -17.7592 -17.7592 -5.1402 -5.1402 -4.7282 -4.7282 -4.3559 -4.3559 -4.2185 -4.2185 -3.2250 -3.2250 -3.1853 -3.1853 -2.4982 -2.4982 -2.2906 -2.2906 -1.8013 -1.8013 -1.6231 -1.6231 4.7268 4.7268 5.3235 5.3235 5.4139 5.4139 5.8227 5.8227 6.7393 6.7393 7.3669 7.3669 7.7300 7.7300 7.7660 7.7660 7.9829 7.9829 8.0934 8.0934 8.2654 8.2654 8.6319 8.6319 10.4656 10.4656 11.0550 11.0550 12.0360 12.0360 12.1560 12.1560 12.2316 12.2316 k = 0.1019 0.1019 0.2477 ( 5874 PWs) bands (ev): -17.8805 -17.8805 -17.7594 -17.7594 -5.1529 -5.1529 -4.7245 -4.7245 -4.3446 -4.3446 -4.2254 -4.2254 -3.2158 -3.2158 -3.1659 -3.1659 -2.4864 -2.4864 -2.2984 -2.2984 -1.8319 -1.8319 -1.6415 -1.6415 4.7333 4.7333 5.3115 5.3115 5.4021 5.4021 5.8473 5.8473 6.8153 6.8153 7.3657 7.3657 7.6840 7.6840 7.8074 7.8074 8.0118 8.0118 8.1659 8.1659 8.2780 8.2780 8.6551 8.6551 10.3762 10.3762 11.0162 11.0162 12.0507 12.0507 12.1416 12.1416 12.1773 12.1773 k = 0.0926 0.0926 0.2477 ( 5870 PWs) bands (ev): -17.8829 -17.8829 -17.7597 -17.7597 -5.1649 -5.1649 -4.7209 -4.7209 -4.3335 -4.3335 -4.2318 -4.2318 -3.2069 -3.2069 -3.1461 -3.1461 -2.4748 -2.4748 -2.3067 -2.3067 -1.8632 -1.8632 -1.6591 -1.6591 4.7390 4.7390 5.3006 5.3006 5.3917 5.3917 5.8721 5.8721 6.8883 6.8883 7.3647 7.3647 7.6354 7.6354 7.8467 7.8467 8.0419 8.0419 8.2425 8.2425 8.2905 8.2905 8.6777 8.6777 10.2869 10.2869 10.9732 10.9732 12.0682 12.0682 12.0910 12.0910 12.1733 12.1733 k = 0.0833 0.0833 0.2477 ( 5858 PWs) bands (ev): -17.8851 -17.8851 -17.7599 -17.7599 -5.1760 -5.1760 -4.7175 -4.7175 -4.3227 -4.3227 -4.2376 -4.2376 -3.1984 -3.1984 -3.1261 -3.1261 -2.4638 -2.4638 -2.3149 -2.3149 -1.8950 -1.8950 -1.6754 -1.6754 4.7439 4.7439 5.2909 5.2909 5.3825 5.3825 5.8967 5.8967 6.9579 6.9579 7.3638 7.3638 7.5883 7.5883 7.8788 7.8788 8.0761 8.0761 8.3027 8.3027 8.3200 8.3200 8.6997 8.6997 10.1987 10.1987 10.9284 10.9284 12.0262 12.0262 12.0987 12.0987 12.1845 12.1845 k = 0.0741 0.0741 0.2477 ( 5862 PWs) bands (ev): -17.8871 -17.8871 -17.7600 -17.7600 -5.1861 -5.1861 -4.7142 -4.7142 -4.3125 -4.3125 -4.2427 -4.2427 -3.1903 -3.1903 -3.1064 -3.1064 -2.4545 -2.4545 -2.3217 -2.3217 -1.9271 -1.9271 -1.6902 -1.6902 4.7481 4.7481 5.2822 5.2822 5.3745 5.3745 5.9206 5.9206 7.0233 7.0233 7.3628 7.3628 7.5437 7.5437 7.9035 7.9035 8.1140 8.1140 8.3150 8.3150 8.3961 8.3961 8.7210 8.7210 10.1124 10.1124 10.8838 10.8838 11.9724 11.9724 12.1233 12.1233 12.2021 12.2021 k = 0.0648 0.0648 0.2477 ( 5856 PWs) bands (ev): -17.8889 -17.8889 -17.7602 -17.7602 -5.1952 -5.1952 -4.7112 -4.7112 -4.3032 -4.3032 -4.2472 -4.2472 -3.1828 -3.1828 -3.0871 -3.0871 -2.4480 -2.4480 -2.3252 -2.3252 -1.9592 -1.9592 -1.7034 -1.7034 4.7515 4.7515 5.2746 5.2746 5.3677 5.3677 5.9435 5.9435 7.0838 7.0838 7.3616 7.3616 7.5024 7.5024 7.9220 7.9220 8.1532 8.1532 8.3273 8.3273 8.4697 8.4697 8.7414 8.7414 10.0291 10.0291 10.8411 10.8411 11.9236 11.9236 12.1476 12.1476 12.2241 12.2241 k = 0.0556 0.0556 0.2477 ( 5866 PWs) bands (ev): -17.8904 -17.8904 -17.7604 -17.7604 -5.2032 -5.2032 -4.7086 -4.7086 -4.2949 -4.2949 -4.2509 -4.2509 -3.1760 -3.1760 -3.0688 -3.0688 -2.4455 -2.4455 -2.3240 -2.3240 -1.9910 -1.9910 -1.7147 -1.7147 4.7544 4.7544 5.2680 5.2680 5.3620 5.3620 5.9650 5.9650 7.1386 7.1386 7.3600 7.3600 7.4653 7.4653 7.9358 7.9358 8.1909 8.1909 8.3397 8.3397 8.5392 8.5392 8.7610 8.7610 9.9499 9.9499 10.8015 10.8015 11.8806 11.8806 12.1709 12.1709 12.2487 12.2487 k = 0.0463 0.0463 0.2477 ( 5862 PWs) bands (ev): -17.8918 -17.8918 -17.7605 -17.7605 -5.2100 -5.2100 -4.7062 -4.7062 -4.2879 -4.2879 -4.2538 -4.2538 -3.1700 -3.1700 -3.0519 -3.0519 -2.4473 -2.4473 -2.3173 -2.3173 -2.0221 -2.0221 -1.7242 -1.7242 4.7567 4.7567 5.2625 5.2625 5.3573 5.3573 5.9844 5.9844 7.1870 7.1870 7.3575 7.3575 7.4335 7.4335 7.9463 7.9463 8.2244 8.2244 8.3526 8.3526 8.6026 8.6026 8.7800 8.7800 9.8763 9.8763 10.7663 10.7663 11.8438 11.8438 12.1931 12.1931 12.2736 12.2736 k = 0.0370 0.0370 0.2477 ( 5864 PWs) bands (ev): -17.8928 -17.8928 -17.7606 -17.7606 -5.2157 -5.2157 -4.7042 -4.7042 -4.2824 -4.2824 -4.2558 -4.2558 -3.1649 -3.1649 -3.0370 -3.0370 -2.4521 -2.4521 -2.3060 -2.3060 -2.0519 -2.0519 -1.7318 -1.7318 4.7585 4.7585 5.2579 5.2579 5.3536 5.3536 6.0012 6.0012 7.2282 7.2282 7.3530 7.3530 7.4085 7.4085 7.9541 7.9541 8.2518 8.2518 8.3658 8.3658 8.6576 8.6576 8.7988 8.7988 9.8101 9.8101 10.7362 10.7362 11.8133 11.8133 12.2137 12.2137 12.2971 12.2971 k = 0.0278 0.0278 0.2477 ( 5860 PWs) bands (ev): -17.8937 -17.8937 -17.7607 -17.7607 -5.2201 -5.2201 -4.7027 -4.7027 -4.2785 -4.2785 -4.2568 -4.2568 -3.1608 -3.1608 -3.0245 -3.0245 -2.4581 -2.4581 -2.2919 -2.2919 -2.0794 -2.0794 -1.7377 -1.7377 4.7598 4.7598 5.2544 5.2544 5.3508 5.3508 6.0150 6.0150 7.2616 7.2616 7.3456 7.3456 7.3918 7.3918 7.9598 7.9598 8.2721 8.2721 8.3786 8.3786 8.7011 8.7011 8.8178 8.8178 9.7536 9.7536 10.7121 10.7121 11.7895 11.7895 12.2317 12.2317 12.3177 12.3177 k = 0.0185 0.0185 0.2477 ( 5848 PWs) bands (ev): -17.8943 -17.8943 -17.7607 -17.7607 -5.2233 -5.2233 -4.7015 -4.7015 -4.2762 -4.2762 -4.2569 -4.2569 -3.1578 -3.1578 -3.0151 -3.0151 -2.4635 -2.4635 -2.2774 -2.2774 -2.1031 -2.1031 -1.7418 -1.7418 4.7607 4.7607 5.2519 5.2519 5.3488 5.3488 6.0252 6.0252 7.2868 7.2868 7.3363 7.3363 7.3827 7.3827 7.9638 7.9638 8.2856 8.2856 8.3897 8.3897 8.7308 8.7308 8.8363 8.8363 9.7098 9.7098 10.6945 10.6945 11.7723 11.7723 12.2459 12.2459 12.3340 12.3340 k = 0.0093 0.0093 0.2477 ( 5844 PWs) bands (ev): -17.8947 -17.8947 -17.7608 -17.7608 -5.2252 -5.2252 -4.7008 -4.7008 -4.2752 -4.2752 -4.2567 -4.2567 -3.1560 -3.1560 -3.0092 -3.0092 -2.4673 -2.4673 -2.2657 -2.2657 -2.1201 -2.1201 -1.7443 -1.7443 4.7613 4.7613 5.2504 5.2504 5.3476 5.3476 6.0315 6.0315 7.3036 7.3036 7.3278 7.3278 7.3784 7.3784 7.9661 7.9661 8.2932 8.2932 8.3972 8.3972 8.7473 8.7473 8.8506 8.8506 9.6817 9.6817 10.6837 10.6837 11.7620 11.7620 12.2550 12.2550 12.3446 12.3446 k = 0.0000 0.0000 0.2477 ( 5860 PWs) bands (ev): -17.8948 -17.8948 -17.7608 -17.7608 -5.2259 -5.2259 -4.7006 -4.7006 -4.2749 -4.2749 -4.2566 -4.2566 -3.1553 -3.1553 -3.0073 -3.0073 -2.4686 -2.4686 -2.2610 -2.2610 -2.1266 -2.1266 -1.7451 -1.7451 4.7614 4.7614 5.2499 5.2499 5.3472 5.3472 6.0336 6.0336 7.3108 7.3108 7.3232 7.3232 7.3772 7.3772 7.9669 7.9669 8.2957 8.2957 8.3999 8.3999 8.7525 8.7525 8.8561 8.8561 9.6720 9.6720 10.6801 10.6801 11.7585 11.7585 12.2582 12.2582 12.3483 12.3483 k = 0.0000 0.5000-0.0000 ( 5858 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -4.9531 -4.9531 -4.9531 -4.9531 -4.3210 -4.3210 -4.3210 -4.3210 -3.3797 -3.3797 -3.3797 -3.3797 -2.3038 -2.3038 -2.3038 -2.3038 -1.2849 -1.2849 -1.2849 -1.2849 5.5363 5.5363 5.5363 5.5363 5.5810 5.5810 5.5810 5.5810 5.8951 5.8951 5.8951 5.8951 7.2992 7.2992 7.2992 7.2992 7.5193 7.5193 7.5193 7.5193 7.6961 7.6961 7.6961 7.6961 11.7663 11.7663 11.7663 11.7663 12.1195 12.1195 12.1195 12.1195 12.3112 12.3112 k = 0.0000 0.5000 0.0130 ( 5858 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -4.9535 -4.9535 -4.9535 -4.9535 -4.3204 -4.3204 -4.3204 -4.3204 -3.3799 -3.3799 -3.3799 -3.3799 -2.3039 -2.3039 -2.3039 -2.3039 -1.2846 -1.2846 -1.2846 -1.2846 5.5362 5.5362 5.5362 5.5362 5.5808 5.5808 5.5808 5.5808 5.8959 5.8959 5.8959 5.8959 7.2979 7.2979 7.2979 7.2979 7.5188 7.5188 7.5188 7.5188 7.6944 7.6944 7.6944 7.6944 11.7688 11.7688 11.7688 11.7688 12.1243 12.1243 12.1243 12.1243 12.3123 12.3123 k = 0.0000 0.5000 0.0261 ( 5850 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -4.9548 -4.9548 -4.9548 -4.9548 -4.3187 -4.3187 -4.3187 -4.3187 -3.3804 -3.3804 -3.3804 -3.3804 -2.3041 -2.3041 -2.3041 -2.3041 -1.2835 -1.2835 -1.2835 -1.2835 5.5357 5.5357 5.5357 5.5357 5.5802 5.5802 5.5802 5.5802 5.8980 5.8980 5.8980 5.8980 7.2940 7.2940 7.2940 7.2940 7.5174 7.5174 7.5174 7.5174 7.6894 7.6894 7.6894 7.6894 11.7759 11.7759 11.7759 11.7759 12.1384 12.1384 12.1384 12.1384 12.3157 12.3157 k = 0.0000 0.5000 0.0391 ( 5858 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -4.9570 -4.9570 -4.9570 -4.9570 -4.3159 -4.3159 -4.3159 -4.3159 -3.3813 -3.3813 -3.3813 -3.3813 -2.3045 -2.3045 -2.3045 -2.3045 -1.2818 -1.2818 -1.2818 -1.2818 5.5347 5.5347 5.5347 5.5347 5.5794 5.5794 5.5794 5.5794 5.9016 5.9016 5.9016 5.9016 7.2876 7.2876 7.2876 7.2876 7.5151 7.5151 7.5151 7.5151 7.6812 7.6812 7.6812 7.6812 11.7873 11.7873 11.7873 11.7873 12.1620 12.1620 12.1620 12.1620 12.3214 12.3214 k = 0.0000 0.5000 0.0521 ( 5854 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -4.9598 -4.9598 -4.9598 -4.9598 -4.3121 -4.3121 -4.3121 -4.3121 -3.3825 -3.3825 -3.3825 -3.3825 -2.3049 -2.3049 -2.3049 -2.3049 -1.2794 -1.2794 -1.2794 -1.2794 5.5332 5.5332 5.5332 5.5332 5.5785 5.5785 5.5785 5.5785 5.9064 5.9064 5.9064 5.9064 7.2789 7.2789 7.2789 7.2789 7.5119 7.5119 7.5119 7.5119 7.6702 7.6702 7.6702 7.6702 11.8023 11.8023 11.8023 11.8023 12.1948 12.1948 12.1948 12.1948 12.3292 12.3292 k = 0.0000 0.5000 0.0652 ( 5850 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -4.9634 -4.9634 -4.9634 -4.9634 -4.3074 -4.3074 -4.3074 -4.3074 -3.3840 -3.3840 -3.3840 -3.3840 -2.3055 -2.3055 -2.3055 -2.3055 -1.2764 -1.2764 -1.2764 -1.2764 5.5309 5.5309 5.5309 5.5309 5.5778 5.5778 5.5778 5.5778 5.9125 5.9125 5.9125 5.9125 7.2682 7.2682 7.2682 7.2682 7.5080 7.5080 7.5080 7.5080 7.6566 7.6566 7.6566 7.6566 11.8202 11.8202 11.8202 11.8202 12.2366 12.2366 12.2366 12.2366 12.3391 12.3391 k = 0.0000 0.5000 0.0782 ( 5848 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -4.9674 -4.9674 -4.9674 -4.9674 -4.3020 -4.3020 -4.3020 -4.3020 -3.3857 -3.3857 -3.3857 -3.3857 -2.3062 -2.3062 -2.3062 -2.3062 -1.2730 -1.2730 -1.2730 -1.2730 5.5277 5.5277 5.5277 5.5277 5.5774 5.5774 5.5774 5.5774 5.9195 5.9195 5.9195 5.9195 7.2557 7.2557 7.2557 7.2557 7.5033 7.5033 7.5033 7.5033 7.6410 7.6410 7.6410 7.6410 11.8400 11.8400 11.8400 11.8400 12.2862 12.2862 12.2862 12.2862 12.3517 12.3517 k = 0.0000 0.5000 0.0913 ( 5848 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -4.9718 -4.9718 -4.9718 -4.9718 -4.2961 -4.2961 -4.2961 -4.2961 -3.3877 -3.3877 -3.3877 -3.3877 -2.3070 -2.3070 -2.3070 -2.3070 -1.2692 -1.2692 -1.2692 -1.2692 5.5236 5.5236 5.5236 5.5236 5.5776 5.5776 5.5776 5.5776 5.9275 5.9275 5.9275 5.9275 7.2420 7.2420 7.2420 7.2420 7.4982 7.4982 7.4982 7.4982 7.6238 7.6238 7.6238 7.6238 11.8611 11.8611 11.8611 11.8611 12.3381 12.3381 12.3381 12.3381 12.3715 12.3715 k = 0.0000 0.5000 0.1043 ( 5848 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -4.9765 -4.9765 -4.9765 -4.9765 -4.2897 -4.2897 -4.2897 -4.2897 -3.3898 -3.3898 -3.3898 -3.3898 -2.3078 -2.3078 -2.3078 -2.3078 -1.2651 -1.2651 -1.2651 -1.2651 5.5187 5.5187 5.5187 5.5187 5.5783 5.5783 5.5783 5.5783 5.9361 5.9361 5.9361 5.9361 7.2272 7.2272 7.2272 7.2272 7.4925 7.4925 7.4925 7.4925 7.6057 7.6057 7.6057 7.6057 11.8829 11.8829 11.8829 11.8829 12.3683 12.3683 12.3683 12.3683 12.4212 12.4212 k = 0.0000 0.5000 0.1173 ( 5856 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -4.9813 -4.9813 -4.9813 -4.9813 -4.2832 -4.2832 -4.2832 -4.2832 -3.3920 -3.3920 -3.3920 -3.3920 -2.3086 -2.3086 -2.3086 -2.3086 -1.2608 -1.2608 -1.2608 -1.2608 5.5132 5.5132 5.5132 5.5132 5.5794 5.5794 5.5794 5.5794 5.9452 5.9452 5.9452 5.9452 7.2119 7.2119 7.2119 7.2119 7.4866 7.4866 7.4866 7.4866 7.5870 7.5870 7.5870 7.5870 11.9048 11.9048 11.9048 11.9048 12.3854 12.3854 12.3854 12.3854 12.4906 12.4906 k = 0.0000 0.5000 0.1304 ( 5852 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -4.9861 -4.9861 -4.9861 -4.9861 -4.2766 -4.2766 -4.2766 -4.2766 -3.3942 -3.3942 -3.3942 -3.3942 -2.3095 -2.3095 -2.3095 -2.3095 -1.2564 -1.2564 -1.2564 -1.2564 5.5072 5.5072 5.5072 5.5072 5.5809 5.5809 5.5809 5.5809 5.9546 5.9546 5.9546 5.9546 7.1965 7.1965 7.1965 7.1965 7.4805 7.4805 7.4805 7.4805 7.5684 7.5684 7.5684 7.5684 11.9263 11.9263 11.9263 11.9263 12.4011 12.4011 12.4011 12.4011 12.5664 12.5664 k = 0.0000 0.5000 0.1434 ( 5864 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -4.9908 -4.9908 -4.9908 -4.9908 -4.2702 -4.2702 -4.2702 -4.2702 -3.3965 -3.3965 -3.3965 -3.3965 -2.3103 -2.3103 -2.3103 -2.3103 -1.2521 -1.2521 -1.2521 -1.2521 5.5011 5.5011 5.5012 5.5012 5.5825 5.5825 5.5825 5.5825 5.9640 5.9640 5.9640 5.9640 7.1814 7.1814 7.1814 7.1814 7.4743 7.4743 7.4743 7.4743 7.5504 7.5504 7.5504 7.5504 11.9469 11.9469 11.9469 11.9469 12.4164 12.4164 12.4164 12.4164 12.6455 12.6455 k = 0.0000 0.5000 0.1564 ( 5860 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -4.9952 -4.9952 -4.9952 -4.9952 -4.2641 -4.2641 -4.2641 -4.2641 -3.3986 -3.3986 -3.3986 -3.3986 -2.3111 -2.3111 -2.3111 -2.3111 -1.2480 -1.2480 -1.2480 -1.2480 5.4951 5.4951 5.4951 5.4951 5.5843 5.5843 5.5843 5.5843 5.9731 5.9731 5.9731 5.9731 7.1669 7.1669 7.1669 7.1669 7.4681 7.4681 7.4681 7.4681 7.5335 7.5335 7.5335 7.5335 11.9663 11.9663 11.9663 11.9663 12.4310 12.4310 12.4310 12.4310 12.7260 12.7260 k = 0.0000 0.5000 0.1695 ( 5864 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -4.9992 -4.9992 -4.9992 -4.9992 -4.2585 -4.2585 -4.2585 -4.2585 -3.4006 -3.4006 -3.4006 -3.4006 -2.3118 -2.3118 -2.3118 -2.3118 -1.2442 -1.2442 -1.2442 -1.2442 5.4894 5.4894 5.4894 5.4894 5.5860 5.5860 5.5860 5.5860 5.9818 5.9818 5.9818 5.9818 7.1535 7.1535 7.1535 7.1535 7.4621 7.4621 7.4621 7.4621 7.5182 7.5182 7.5182 7.5182 11.9840 11.9840 11.9840 11.9840 12.4449 12.4449 12.4449 12.4449 12.8056 12.8056 k = 0.0000 0.5000 0.1825 ( 5864 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -5.0028 -5.0028 -5.0028 -5.0028 -4.2535 -4.2535 -4.2535 -4.2535 -3.4025 -3.4025 -3.4025 -3.4025 -2.3125 -2.3125 -2.3125 -2.3125 -1.2407 -1.2407 -1.2407 -1.2407 5.4842 5.4842 5.4842 5.4842 5.5877 5.5877 5.5877 5.5877 5.9896 5.9896 5.9896 5.9896 7.1415 7.1415 7.1415 7.1415 7.4563 7.4563 7.4563 7.4563 7.5050 7.5050 7.5050 7.5050 11.9996 11.9996 11.9996 11.9996 12.4574 12.4574 12.4574 12.4574 12.8821 12.8821 k = 0.0000 0.5000 0.1956 ( 5868 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -5.0058 -5.0058 -5.0058 -5.0058 -4.2492 -4.2492 -4.2492 -4.2492 -3.4040 -3.4040 -3.4040 -3.4040 -2.3130 -2.3130 -2.3130 -2.3130 -1.2378 -1.2378 -1.2378 -1.2378 5.4796 5.4796 5.4796 5.4796 5.5892 5.5892 5.5892 5.5892 5.9965 5.9965 5.9965 5.9965 7.1312 7.1312 7.1312 7.1312 7.4509 7.4509 7.4509 7.4509 7.4942 7.4942 7.4942 7.4942 12.0129 12.0129 12.0129 12.0129 12.4684 12.4684 12.4684 12.4684 12.9528 12.9528 k = 0.0000 0.5000 0.2086 ( 5870 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -5.0082 -5.0082 -5.0082 -5.0082 -4.2458 -4.2458 -4.2458 -4.2458 -3.4053 -3.4053 -3.4053 -3.4053 -2.3135 -2.3135 -2.3135 -2.3135 -1.2354 -1.2354 -1.2354 -1.2354 5.4759 5.4759 5.4759 5.4759 5.5904 5.5904 5.5904 5.5904 6.0020 6.0020 6.0020 6.0020 7.1229 7.1229 7.1230 7.1230 7.4461 7.4461 7.4461 7.4461 7.4859 7.4859 7.4859 7.4859 12.0235 12.0235 12.0235 12.0235 12.4773 12.4773 12.4773 12.4773 13.0144 13.0144 k = 0.0000 0.5000 0.2216 ( 5862 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -5.0100 -5.0100 -5.0100 -5.0100 -4.2433 -4.2433 -4.2433 -4.2433 -3.4063 -3.4063 -3.4063 -3.4063 -2.3138 -2.3138 -2.3138 -2.3138 -1.2337 -1.2337 -1.2337 -1.2337 5.4732 5.4732 5.4732 5.4732 5.5913 5.5913 5.5913 5.5913 6.0062 6.0062 6.0062 6.0062 7.1169 7.1169 7.1169 7.1169 7.4423 7.4423 7.4423 7.4423 7.4801 7.4801 7.4801 7.4801 12.0313 12.0313 12.0313 12.0313 12.4839 12.4839 12.4839 12.4839 13.0631 13.0631 k = 0.0000 0.5000 0.2347 ( 5866 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -5.0111 -5.0111 -5.0111 -5.0111 -4.2417 -4.2417 -4.2417 -4.2417 -3.4068 -3.4068 -3.4068 -3.4068 -2.3140 -2.3140 -2.3140 -2.3140 -1.2326 -1.2326 -1.2326 -1.2326 5.4715 5.4715 5.4715 5.4715 5.5918 5.5918 5.5918 5.5918 6.0087 6.0087 6.0087 6.0087 7.1131 7.1131 7.1131 7.1131 7.4399 7.4399 7.4399 7.4399 7.4767 7.4767 7.4767 7.4767 12.0360 12.0360 12.0360 12.0360 12.4880 12.4880 12.4880 12.4880 13.0948 13.0948 k = 0.0000 0.5000 0.2477 ( 5864 PWs) bands (ev): -17.7879 -17.7879 -17.7879 -17.7879 -5.0114 -5.0114 -5.0114 -5.0114 -4.2412 -4.2412 -4.2412 -4.2412 -3.4070 -3.4070 -3.4070 -3.4070 -2.3141 -2.3141 -2.3141 -2.3141 -1.2322 -1.2322 -1.2322 -1.2322 5.4709 5.4709 5.4709 5.4709 5.5920 5.5920 5.5920 5.5920 6.0096 6.0096 6.0096 6.0096 7.1119 7.1119 7.1119 7.1119 7.4390 7.4390 7.4390 7.4390 7.4756 7.4756 7.4756 7.4756 12.0376 12.0376 12.0376 12.0376 12.4893 12.4893 12.4893 12.4893 13.1059 13.1059 k = 0.5000 0.5000-0.0000 ( 5896 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7318 -4.7318 -4.7318 -4.7318 -3.8604 -3.8604 -3.8604 -3.8604 -3.1904 -3.1904 -3.1904 -3.1904 -2.7665 -2.7665 -2.7665 -2.7665 -2.1735 -2.1735 -2.1735 -2.1735 4.3304 4.3304 4.3304 4.3304 6.2885 6.2885 6.2885 6.2885 6.4700 6.4700 6.4700 6.4700 7.7705 7.7705 7.7705 7.7705 8.1523 8.1523 8.1523 8.1523 8.6859 8.6859 8.6859 8.6859 10.4159 10.4159 10.4159 10.4159 10.9324 10.9324 10.9324 10.9324 13.0959 13.0959 k = 0.5000 0.5000 0.0130 ( 5896 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7318 -4.7318 -4.7318 -4.7318 -3.8604 -3.8604 -3.8604 -3.8604 -3.1911 -3.1911 -3.1911 -3.1911 -2.7664 -2.7664 -2.7664 -2.7664 -2.1725 -2.1725 -2.1725 -2.1725 4.3299 4.3299 4.3299 4.3299 6.2885 6.2885 6.2885 6.2885 6.4702 6.4702 6.4702 6.4702 7.7679 7.7679 7.7679 7.7679 8.1503 8.1503 8.1503 8.1503 8.6854 8.6854 8.6854 8.6854 10.4206 10.4206 10.4206 10.4206 10.9375 10.9375 10.9375 10.9375 13.0929 13.0929 k = 0.5000 0.5000 0.0261 ( 5880 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7320 -4.7320 -4.7320 -4.7320 -3.8604 -3.8604 -3.8604 -3.8604 -3.1929 -3.1929 -3.1929 -3.1929 -2.7661 -2.7661 -2.7661 -2.7661 -2.1697 -2.1697 -2.1697 -2.1697 4.3283 4.3283 4.3283 4.3283 6.2885 6.2885 6.2885 6.2885 6.4707 6.4707 6.4707 6.4707 7.7604 7.7604 7.7604 7.7604 8.1446 8.1446 8.1446 8.1446 8.6840 8.6840 8.6840 8.6840 10.4345 10.4345 10.4345 10.4345 10.9529 10.9529 10.9529 10.9529 13.0840 13.0840 k = 0.5000 0.5000 0.0391 ( 5872 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7324 -4.7324 -4.7324 -4.7324 -3.8604 -3.8604 -3.8604 -3.8604 -3.1960 -3.1960 -3.1960 -3.1960 -2.7655 -2.7655 -2.7655 -2.7655 -2.1650 -2.1650 -2.1650 -2.1650 4.3257 4.3257 4.3257 4.3257 6.2885 6.2885 6.2885 6.2885 6.4715 6.4715 6.4715 6.4715 7.7482 7.7482 7.7482 7.7482 8.1353 8.1353 8.1353 8.1353 8.6818 8.6818 8.6818 8.6818 10.4572 10.4572 10.4572 10.4572 10.9779 10.9779 10.9779 10.9779 13.0695 13.0695 k = 0.5000 0.5000 0.0521 ( 5864 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7328 -4.7328 -4.7328 -4.7328 -3.8605 -3.8605 -3.8605 -3.8605 -3.2001 -3.2001 -3.2001 -3.2001 -2.7648 -2.7648 -2.7648 -2.7648 -2.1587 -2.1587 -2.1587 -2.1587 4.3222 4.3222 4.3222 4.3222 6.2885 6.2885 6.2885 6.2885 6.4727 6.4727 6.4727 6.4727 7.7318 7.7318 7.7318 7.7318 8.1228 8.1228 8.1228 8.1228 8.6789 8.6789 8.6789 8.6789 10.4881 10.4881 10.4881 10.4881 11.0116 11.0116 11.0116 11.0116 13.0497 13.0497 k = 0.5000 0.5000 0.0652 ( 5864 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7334 -4.7334 -4.7334 -4.7334 -3.8605 -3.8605 -3.8605 -3.8605 -3.2052 -3.2052 -3.2052 -3.2052 -2.7638 -2.7638 -2.7638 -2.7638 -2.1509 -2.1509 -2.1509 -2.1509 4.3178 4.3178 4.3178 4.3178 6.2885 6.2885 6.2885 6.2885 6.4741 6.4741 6.4741 6.4741 7.7119 7.7119 7.7119 7.7119 8.1074 8.1074 8.1074 8.1074 8.6757 8.6757 8.6757 8.6757 10.5265 10.5265 10.5265 10.5265 11.0531 11.0531 11.0531 11.0531 13.0251 13.0251 k = 0.5000 0.5000 0.0782 ( 5864 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7340 -4.7340 -4.7340 -4.7340 -3.8606 -3.8606 -3.8606 -3.8606 -3.2110 -3.2110 -3.2110 -3.2110 -2.7628 -2.7628 -2.7628 -2.7628 -2.1419 -2.1419 -2.1419 -2.1419 4.3127 4.3127 4.3127 4.3127 6.2885 6.2885 6.2885 6.2885 6.4758 6.4758 6.4758 6.4758 7.6893 7.6893 7.6893 7.6893 8.0897 8.0897 8.0897 8.0897 8.6723 8.6723 8.6723 8.6723 10.5715 10.5715 10.5715 10.5715 11.1009 11.1009 11.1009 11.1009 12.9962 12.9962 k = 0.5000 0.5000 0.0913 ( 5868 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7347 -4.7347 -4.7347 -4.7347 -3.8606 -3.8606 -3.8606 -3.8606 -3.2174 -3.2174 -3.2174 -3.2174 -2.7616 -2.7616 -2.7616 -2.7616 -2.1320 -2.1320 -2.1320 -2.1320 4.3069 4.3069 4.3069 4.3069 6.2885 6.2885 6.2885 6.2885 6.4777 6.4777 6.4777 6.4777 7.6647 7.6647 7.6647 7.6647 8.0703 8.0703 8.0703 8.0703 8.6688 8.6688 8.6688 8.6688 10.6219 10.6219 10.6219 10.6219 11.1535 11.1535 11.1535 11.1535 12.9637 12.9637 k = 0.5000 0.5000 0.1043 ( 5872 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7355 -4.7355 -4.7355 -4.7355 -3.8606 -3.8606 -3.8606 -3.8606 -3.2241 -3.2241 -3.2241 -3.2241 -2.7603 -2.7603 -2.7603 -2.7603 -2.1214 -2.1214 -2.1214 -2.1214 4.3007 4.3007 4.3007 4.3007 6.2885 6.2885 6.2885 6.2885 6.4797 6.4797 6.4797 6.4797 7.6389 7.6389 7.6389 7.6389 8.0497 8.0497 8.0497 8.0497 8.6656 8.6656 8.6656 8.6656 10.6768 10.6768 10.6768 10.6768 11.2095 11.2095 11.2095 11.2095 12.9280 12.9280 k = 0.5000 0.5000 0.1173 ( 5880 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7363 -4.7363 -4.7363 -4.7363 -3.8607 -3.8607 -3.8607 -3.8607 -3.2311 -3.2311 -3.2311 -3.2311 -2.7589 -2.7589 -2.7589 -2.7589 -2.1105 -2.1105 -2.1105 -2.1105 4.2942 4.2942 4.2942 4.2942 6.2885 6.2885 6.2885 6.2885 6.4819 6.4819 6.4819 6.4819 7.6127 7.6127 7.6127 7.6127 8.0286 8.0286 8.0286 8.0286 8.6625 8.6625 8.6625 8.6625 10.7348 10.7348 10.7348 10.7348 11.2672 11.2672 11.2672 11.2672 12.8898 12.8898 k = 0.5000 0.5000 0.1304 ( 5888 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7372 -4.7372 -4.7372 -4.7372 -3.8607 -3.8607 -3.8607 -3.8607 -3.2380 -3.2380 -3.2380 -3.2380 -2.7576 -2.7576 -2.7576 -2.7576 -2.0995 -2.0995 -2.0995 -2.0995 4.2875 4.2875 4.2875 4.2875 6.2885 6.2885 6.2885 6.2885 6.4841 6.4841 6.4841 6.4841 7.5869 7.5869 7.5869 7.5869 8.0076 8.0076 8.0076 8.0076 8.6598 8.6598 8.6598 8.6598 10.7948 10.7948 10.7948 10.7948 11.3251 11.3251 11.3251 11.3251 12.8498 12.8498 k = 0.5000 0.5000 0.1434 ( 5888 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7380 -4.7380 -4.7380 -4.7380 -3.8606 -3.8606 -3.8606 -3.8606 -3.2448 -3.2448 -3.2448 -3.2448 -2.7563 -2.7563 -2.7563 -2.7563 -2.0888 -2.0888 -2.0888 -2.0888 4.2809 4.2809 4.2809 4.2809 6.2885 6.2885 6.2885 6.2885 6.4863 6.4863 6.4863 6.4863 7.5621 7.5621 7.5621 7.5621 7.9871 7.9871 7.9871 7.9871 8.6574 8.6574 8.6574 8.6574 10.8554 10.8554 10.8554 10.8554 11.3815 11.3815 11.3815 11.3815 12.8088 12.8088 k = 0.5000 0.5000 0.1564 ( 5888 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7388 -4.7388 -4.7388 -4.7388 -3.8606 -3.8606 -3.8606 -3.8606 -3.2511 -3.2511 -3.2511 -3.2511 -2.7550 -2.7550 -2.7550 -2.7550 -2.0786 -2.0786 -2.0786 -2.0786 4.2745 4.2745 4.2745 4.2745 6.2885 6.2885 6.2885 6.2885 6.4885 6.4885 6.4885 6.4885 7.5390 7.5390 7.5390 7.5390 7.9678 7.9678 7.9678 7.9678 8.6554 8.6554 8.6554 8.6554 10.9151 10.9151 10.9151 10.9151 11.4350 11.4350 11.4350 11.4350 12.7677 12.7677 k = 0.5000 0.5000 0.1695 ( 5912 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7395 -4.7395 -4.7395 -4.7395 -3.8606 -3.8606 -3.8606 -3.8606 -3.2570 -3.2570 -3.2570 -3.2570 -2.7538 -2.7538 -2.7538 -2.7538 -2.0692 -2.0692 -2.0692 -2.0692 4.2686 4.2686 4.2686 4.2686 6.2885 6.2885 6.2885 6.2885 6.4905 6.4905 6.4905 6.4905 7.5180 7.5180 7.5180 7.5180 7.9500 7.9500 7.9500 7.9500 8.6537 8.6537 8.6537 8.6537 10.9725 10.9725 10.9725 10.9725 11.4844 11.4844 11.4844 11.4844 12.7276 12.7276 k = 0.5000 0.5000 0.1825 ( 5892 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7402 -4.7402 -4.7402 -4.7402 -3.8605 -3.8605 -3.8605 -3.8605 -3.2622 -3.2622 -3.2622 -3.2622 -2.7528 -2.7528 -2.7528 -2.7528 -2.0609 -2.0609 -2.0609 -2.0609 4.2632 4.2632 4.2632 4.2632 6.2885 6.2885 6.2885 6.2885 6.4924 6.4924 6.4924 6.4924 7.4995 7.4995 7.4995 7.4995 7.9343 7.9343 7.9343 7.9343 8.6523 8.6523 8.6523 8.6523 11.0256 11.0256 11.0256 11.0256 11.5283 11.5283 11.5283 11.5283 12.6896 12.6896 k = 0.5000 0.5000 0.1956 ( 5888 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7407 -4.7407 -4.7407 -4.7407 -3.8605 -3.8605 -3.8605 -3.8605 -3.2666 -3.2666 -3.2666 -3.2666 -2.7519 -2.7519 -2.7519 -2.7519 -2.0537 -2.0537 -2.0537 -2.0537 4.2586 4.2586 4.2586 4.2586 6.2885 6.2885 6.2885 6.2885 6.4939 6.4939 6.4939 6.4939 7.4839 7.4839 7.4839 7.4839 7.9209 7.9209 7.9209 7.9209 8.6512 8.6512 8.6512 8.6512 11.0729 11.0729 11.0729 11.0729 11.5657 11.5657 11.5657 11.5657 12.6553 12.6553 k = 0.5000 0.5000 0.2086 ( 5896 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7412 -4.7412 -4.7412 -4.7412 -3.8604 -3.8604 -3.8604 -3.8604 -3.2702 -3.2702 -3.2702 -3.2702 -2.7511 -2.7511 -2.7511 -2.7511 -2.0480 -2.0480 -2.0480 -2.0480 4.2548 4.2548 4.2548 4.2548 6.2885 6.2885 6.2885 6.2885 6.4952 6.4952 6.4952 6.4952 7.4716 7.4716 7.4716 7.4716 7.9102 7.9102 7.9102 7.9102 8.6504 8.6504 8.6504 8.6504 11.1123 11.1123 11.1123 11.1123 11.5957 11.5957 11.5957 11.5957 12.6263 12.6263 k = 0.5000 0.5000 0.2216 ( 5884 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7415 -4.7415 -4.7415 -4.7415 -3.8604 -3.8604 -3.8604 -3.8604 -3.2727 -3.2727 -3.2727 -3.2727 -2.7506 -2.7506 -2.7506 -2.7506 -2.0437 -2.0437 -2.0437 -2.0437 4.2521 4.2521 4.2521 4.2521 6.2885 6.2885 6.2885 6.2885 6.4962 6.4962 6.4962 6.4962 7.4626 7.4626 7.4626 7.4626 7.9024 7.9024 7.9024 7.9024 8.6498 8.6498 8.6498 8.6498 11.1420 11.1420 11.1420 11.1420 11.6177 11.6177 11.6177 11.6177 12.6040 12.6040 k = 0.5000 0.5000 0.2347 ( 5896 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7417 -4.7417 -4.7417 -4.7417 -3.8604 -3.8604 -3.8604 -3.8604 -3.2743 -3.2743 -3.2743 -3.2743 -2.7503 -2.7503 -2.7503 -2.7503 -2.0412 -2.0412 -2.0412 -2.0412 4.2504 4.2504 4.2504 4.2504 6.2885 6.2885 6.2885 6.2885 6.4968 6.4968 6.4968 6.4968 7.4571 7.4571 7.4571 7.4571 7.8976 7.8976 7.8976 7.8976 8.6495 8.6495 8.6495 8.6495 11.1606 11.1606 11.1606 11.1606 11.6312 11.6312 11.6312 11.6312 12.5900 12.5900 k = 0.5000 0.5000 0.2477 ( 5896 PWs) bands (ev): -17.7518 -17.7518 -17.7518 -17.7518 -4.7418 -4.7418 -4.7418 -4.7418 -3.8604 -3.8604 -3.8604 -3.8604 -3.2748 -3.2748 -3.2748 -3.2748 -2.7502 -2.7502 -2.7502 -2.7502 -2.0403 -2.0403 -2.0403 -2.0403 4.2498 4.2498 4.2498 4.2498 6.2885 6.2885 6.2885 6.2885 6.4970 6.4970 6.4970 6.4970 7.4553 7.4553 7.4553 7.4553 7.8960 7.8960 7.8960 7.8960 8.6494 8.6494 8.6494 8.6494 11.1669 11.1669 11.1669 11.1669 11.6357 11.6357 11.6357 11.6357 12.5852 12.5852 Writing output data file BaZrN2.save init_run : 0.25s CPU 0.37s WALL ( 1 calls) electrons : 333.32s CPU 338.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 333.31s CPU 338.32s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.09s WALL ( 326 calls) cegterg : 317.00s CPU 321.28s WALL ( 1017 calls) Called by sum_band: Called by *egterg: h_psi : 135.88s CPU 138.58s WALL ( 18770 calls) s_psi : 10.16s CPU 9.98s WALL ( 18770 calls) g_psi : 0.61s CPU 0.60s WALL ( 17427 calls) cdiaghg : 138.13s CPU 140.20s WALL ( 17753 calls) cegterg:over : 15.34s CPU 15.51s WALL ( 17427 calls) cegterg:upda : 16.33s CPU 16.25s WALL ( 17427 calls) cegterg:last : 6.68s CPU 6.61s WALL ( 2005 calls) cdiaghg:chol : 7.86s CPU 7.95s WALL ( 17753 calls) cdiaghg:inve : 5.35s CPU 5.40s WALL ( 17753 calls) cdiaghg:para : 8.19s CPU 8.45s WALL ( 35506 calls) Called by h_psi: h_psi:vloc : 110.50s CPU 112.93s WALL ( 18770 calls) h_psi:vnl : 24.72s CPU 25.04s WALL ( 18770 calls) add_vuspsi : 12.24s CPU 12.49s WALL ( 18770 calls) General routines calbec : 12.41s CPU 12.50s WALL ( 18770 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 102.74s CPU 104.84s WALL ( 1411132 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.30s WALL ( 652 calls) Parallel routines fft_scatter : 43.67s CPU 44.46s WALL ( 1411155 calls) PWSCF : 5m54.30s CPU 6m10.70s WALL This run was terminated on: 14:16: 5 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=