Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 2:50 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: ./SrClF.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 42 27 8 2112 1053 170 Max 43 28 9 2119 1075 173 Sum 1541 973 293 76159 38207 6173 bravais-lattice index = 14 lattice parameter (alat) = 7.7968 a.u. unit-cell volume = 799.3042 (a.u.)^3 number of atoms/cell = 6 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 = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.796820 celldm(2)= 1.000000 celldm(3)= 1.686396 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.686396 ) 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 0.592981 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 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 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Cl 7.00 35.45300 Cl( 1.00) Sr 10.00 87.62000 Sr( 1.00) F 7.00 18.99840 F( 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= 342 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0029240 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0029240 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0029240 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0029240 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0029240 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0029240 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0029240 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0029240 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0029240 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0029240 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0029240 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0029240 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0029240 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0029240 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0029240 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0029240 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0029240 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0029240 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0029240 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0029240 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0029240 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0029240 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0029240 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0029240 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0029240 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0029240 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0029240 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0029240 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0029240 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0029240 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0029240 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0029240 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0029240 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0029240 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0029240 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0029240 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0029240 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0029240 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029240 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029240 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0029240 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0029240 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0029240 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0029240 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0029240 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0029240 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0029240 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0029240 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0029240 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0029240 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0029240 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0029240 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0029240 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0029240 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0029240 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0029240 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0029240 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0029240 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0029240 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0029240 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0029240 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0029240 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0029240 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0029240 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0029240 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0029240 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0029240 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0029240 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0029240 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0029240 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0029240 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0029240 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0029240 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0029240 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0029240 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0029240 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0029240 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0029240 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029240 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029240 k( 82) = ( 0.4907407 0.4907407 -0.0000000), wk = 0.0029240 k( 83) = ( 0.4814815 0.4814815 -0.0000000), wk = 0.0029240 k( 84) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0029240 k( 85) = ( 0.4629630 0.4629630 -0.0000000), wk = 0.0029240 k( 86) = ( 0.4537037 0.4537037 -0.0000000), wk = 0.0029240 k( 87) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0029240 k( 88) = ( 0.4351852 0.4351852 -0.0000000), wk = 0.0029240 k( 89) = ( 0.4259259 0.4259259 -0.0000000), wk = 0.0029240 k( 90) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0029240 k( 91) = ( 0.4074074 0.4074074 -0.0000000), wk = 0.0029240 k( 92) = ( 0.3981481 0.3981481 -0.0000000), wk = 0.0029240 k( 93) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0029240 k( 94) = ( 0.3796296 0.3796296 -0.0000000), wk = 0.0029240 k( 95) = ( 0.3703704 0.3703704 -0.0000000), wk = 0.0029240 k( 96) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0029240 k( 97) = ( 0.3518519 0.3518518 -0.0000000), wk = 0.0029240 k( 98) = ( 0.3425926 0.3425926 -0.0000000), wk = 0.0029240 k( 99) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029240 k( 100) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0029240 k( 101) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0029240 k( 102) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0029240 k( 103) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0029240 k( 104) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0029240 k( 105) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0029240 k( 106) = ( 0.2685185 0.2685185 -0.0000000), wk = 0.0029240 k( 107) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0029240 k( 108) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0029240 k( 109) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0029240 k( 110) = ( 0.2314815 0.2314815 -0.0000000), wk = 0.0029240 k( 111) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0029240 k( 112) = ( 0.2129630 0.2129630 -0.0000000), wk = 0.0029240 k( 113) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0029240 k( 114) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0029240 k( 115) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0029240 k( 116) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0029240 k( 117) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0029240 k( 118) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0029240 k( 119) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0029240 k( 120) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0029240 k( 121) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0029240 k( 122) = ( 0.1203704 0.1203704 -0.0000000), wk = 0.0029240 k( 123) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0029240 k( 124) = ( 0.1018518 0.1018518 -0.0000000), wk = 0.0029240 k( 125) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0029240 k( 126) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0029240 k( 127) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0029240 k( 128) = ( 0.0648148 0.0648148 -0.0000000), wk = 0.0029240 k( 129) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0029240 k( 130) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0029240 k( 131) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0029240 k( 132) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0029240 k( 133) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0029240 k( 134) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0029240 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 137) = ( 0.0000000 0.0000000 0.0128909), wk = 0.0029240 k( 138) = ( 0.0000000 0.0000000 0.0257818), wk = 0.0029240 k( 139) = ( 0.0000000 0.0000000 0.0386726), wk = 0.0029240 k( 140) = ( 0.0000000 0.0000000 0.0515635), wk = 0.0029240 k( 141) = ( 0.0000000 0.0000000 0.0644544), wk = 0.0029240 k( 142) = ( 0.0000000 0.0000000 0.0773453), wk = 0.0029240 k( 143) = ( 0.0000000 0.0000000 0.0902362), wk = 0.0029240 k( 144) = ( 0.0000000 0.0000000 0.1031271), wk = 0.0029240 k( 145) = ( 0.0000000 0.0000000 0.1160179), wk = 0.0029240 k( 146) = ( 0.0000000 0.0000000 0.1289088), wk = 0.0029240 k( 147) = ( 0.0000000 0.0000000 0.1417997), wk = 0.0029240 k( 148) = ( 0.0000000 0.0000000 0.1546906), wk = 0.0029240 k( 149) = ( 0.0000000 0.0000000 0.1675815), wk = 0.0029240 k( 150) = ( 0.0000000 0.0000000 0.1804724), wk = 0.0029240 k( 151) = ( 0.0000000 0.0000000 0.1933633), wk = 0.0029240 k( 152) = ( 0.0000000 0.0000000 0.2062541), wk = 0.0029240 k( 153) = ( 0.0000000 0.0000000 0.2191450), wk = 0.0029240 k( 154) = ( 0.0000000 0.0000000 0.2320359), wk = 0.0029240 k( 155) = ( 0.0000000 0.0000000 0.2449268), wk = 0.0029240 k( 156) = ( 0.0000000 0.0000000 0.2578177), wk = 0.0029240 k( 157) = ( 0.0000000 0.0000000 0.2707086), wk = 0.0029240 k( 158) = ( 0.0000000 0.0000000 0.2835994), wk = 0.0029240 k( 159) = ( 0.0000000 0.0000000 0.2964903), wk = 0.0029240 k( 160) = ( 0.0000000 0.0000000 0.2964903), wk = 0.0029240 k( 161) = ( 0.0000000 0.0128205 0.2964903), wk = 0.0029240 k( 162) = ( 0.0000000 0.0256410 0.2964903), wk = 0.0029240 k( 163) = ( 0.0000000 0.0384615 0.2964903), wk = 0.0029240 k( 164) = ( 0.0000000 0.0512821 0.2964903), wk = 0.0029240 k( 165) = ( 0.0000000 0.0641026 0.2964903), wk = 0.0029240 k( 166) = ( 0.0000000 0.0769231 0.2964903), wk = 0.0029240 k( 167) = ( 0.0000000 0.0897436 0.2964903), wk = 0.0029240 k( 168) = ( 0.0000000 0.1025641 0.2964903), wk = 0.0029240 k( 169) = ( 0.0000000 0.1153846 0.2964903), wk = 0.0029240 k( 170) = ( 0.0000000 0.1282051 0.2964903), wk = 0.0029240 k( 171) = ( 0.0000000 0.1410256 0.2964903), wk = 0.0029240 k( 172) = ( 0.0000000 0.1538461 0.2964903), wk = 0.0029240 k( 173) = ( 0.0000000 0.1666667 0.2964903), wk = 0.0029240 k( 174) = ( 0.0000000 0.1794872 0.2964903), wk = 0.0029240 k( 175) = ( 0.0000000 0.1923077 0.2964903), wk = 0.0029240 k( 176) = ( 0.0000000 0.2051282 0.2964903), wk = 0.0029240 k( 177) = ( 0.0000000 0.2179487 0.2964903), wk = 0.0029240 k( 178) = ( 0.0000000 0.2307692 0.2964903), wk = 0.0029240 k( 179) = ( 0.0000000 0.2435897 0.2964903), wk = 0.0029240 k( 180) = ( 0.0000000 0.2564103 0.2964903), wk = 0.0029240 k( 181) = ( 0.0000000 0.2692308 0.2964903), wk = 0.0029240 k( 182) = ( 0.0000000 0.2820513 0.2964903), wk = 0.0029240 k( 183) = ( 0.0000000 0.2948718 0.2964903), wk = 0.0029240 k( 184) = ( 0.0000000 0.3076923 0.2964903), wk = 0.0029240 k( 185) = ( 0.0000000 0.3205128 0.2964903), wk = 0.0029240 k( 186) = ( 0.0000000 0.3333333 0.2964903), wk = 0.0029240 k( 187) = ( 0.0000000 0.3461538 0.2964903), wk = 0.0029240 k( 188) = ( 0.0000000 0.3589744 0.2964903), wk = 0.0029240 k( 189) = ( 0.0000000 0.3717949 0.2964903), wk = 0.0029240 k( 190) = ( 0.0000000 0.3846154 0.2964903), wk = 0.0029240 k( 191) = ( 0.0000000 0.3974359 0.2964903), wk = 0.0029240 k( 192) = ( 0.0000000 0.4102564 0.2964903), wk = 0.0029240 k( 193) = ( 0.0000000 0.4230769 0.2964903), wk = 0.0029240 k( 194) = ( 0.0000000 0.4358974 0.2964903), wk = 0.0029240 k( 195) = ( 0.0000000 0.4487179 0.2964903), wk = 0.0029240 k( 196) = ( 0.0000000 0.4615385 0.2964903), wk = 0.0029240 k( 197) = ( 0.0000000 0.4743590 0.2964903), wk = 0.0029240 k( 198) = ( 0.0000000 0.4871795 0.2964903), wk = 0.0029240 k( 199) = ( 0.0000000 0.5000000 0.2964903), wk = 0.0029240 k( 200) = ( 0.0000000 0.5000000 0.2964903), wk = 0.0029240 k( 201) = ( 0.0128205 0.5000000 0.2964903), wk = 0.0029240 k( 202) = ( 0.0256410 0.5000000 0.2964903), wk = 0.0029240 k( 203) = ( 0.0384615 0.5000000 0.2964903), wk = 0.0029240 k( 204) = ( 0.0512821 0.5000000 0.2964903), wk = 0.0029240 k( 205) = ( 0.0641026 0.5000000 0.2964903), wk = 0.0029240 k( 206) = ( 0.0769231 0.5000000 0.2964903), wk = 0.0029240 k( 207) = ( 0.0897436 0.5000000 0.2964903), wk = 0.0029240 k( 208) = ( 0.1025641 0.5000000 0.2964903), wk = 0.0029240 k( 209) = ( 0.1153846 0.5000000 0.2964903), wk = 0.0029240 k( 210) = ( 0.1282051 0.5000000 0.2964903), wk = 0.0029240 k( 211) = ( 0.1410256 0.5000000 0.2964903), wk = 0.0029240 k( 212) = ( 0.1538461 0.5000000 0.2964903), wk = 0.0029240 k( 213) = ( 0.1666667 0.5000000 0.2964903), wk = 0.0029240 k( 214) = ( 0.1794872 0.5000000 0.2964903), wk = 0.0029240 k( 215) = ( 0.1923077 0.5000000 0.2964903), wk = 0.0029240 k( 216) = ( 0.2051282 0.5000000 0.2964903), wk = 0.0029240 k( 217) = ( 0.2179487 0.5000000 0.2964903), wk = 0.0029240 k( 218) = ( 0.2307692 0.5000000 0.2964903), wk = 0.0029240 k( 219) = ( 0.2435897 0.5000000 0.2964903), wk = 0.0029240 k( 220) = ( 0.2564103 0.5000000 0.2964903), wk = 0.0029240 k( 221) = ( 0.2692308 0.5000000 0.2964903), wk = 0.0029240 k( 222) = ( 0.2820513 0.5000000 0.2964903), wk = 0.0029240 k( 223) = ( 0.2948718 0.5000000 0.2964903), wk = 0.0029240 k( 224) = ( 0.3076923 0.5000000 0.2964903), wk = 0.0029240 k( 225) = ( 0.3205128 0.5000000 0.2964903), wk = 0.0029240 k( 226) = ( 0.3333333 0.5000000 0.2964903), wk = 0.0029240 k( 227) = ( 0.3461538 0.5000000 0.2964903), wk = 0.0029240 k( 228) = ( 0.3589744 0.5000000 0.2964903), wk = 0.0029240 k( 229) = ( 0.3717949 0.5000000 0.2964903), wk = 0.0029240 k( 230) = ( 0.3846154 0.5000000 0.2964903), wk = 0.0029240 k( 231) = ( 0.3974359 0.5000000 0.2964903), wk = 0.0029240 k( 232) = ( 0.4102564 0.5000000 0.2964903), wk = 0.0029240 k( 233) = ( 0.4230769 0.5000000 0.2964903), wk = 0.0029240 k( 234) = ( 0.4358974 0.5000000 0.2964903), wk = 0.0029240 k( 235) = ( 0.4487179 0.5000000 0.2964903), wk = 0.0029240 k( 236) = ( 0.4615385 0.5000000 0.2964903), wk = 0.0029240 k( 237) = ( 0.4743590 0.5000000 0.2964903), wk = 0.0029240 k( 238) = ( 0.4871795 0.5000000 0.2964903), wk = 0.0029240 k( 239) = ( 0.5000000 0.5000000 0.2964903), wk = 0.0029240 k( 240) = ( 0.5000000 0.5000000 0.2964903), wk = 0.0029240 k( 241) = ( 0.4907407 0.4907407 0.2964903), wk = 0.0029240 k( 242) = ( 0.4814815 0.4814815 0.2964903), wk = 0.0029240 k( 243) = ( 0.4722222 0.4722222 0.2964903), wk = 0.0029240 k( 244) = ( 0.4629630 0.4629630 0.2964903), wk = 0.0029240 k( 245) = ( 0.4537037 0.4537037 0.2964903), wk = 0.0029240 k( 246) = ( 0.4444444 0.4444444 0.2964903), wk = 0.0029240 k( 247) = ( 0.4351852 0.4351852 0.2964903), wk = 0.0029240 k( 248) = ( 0.4259259 0.4259259 0.2964903), wk = 0.0029240 k( 249) = ( 0.4166667 0.4166667 0.2964903), wk = 0.0029240 k( 250) = ( 0.4074074 0.4074074 0.2964903), wk = 0.0029240 k( 251) = ( 0.3981481 0.3981481 0.2964903), wk = 0.0029240 k( 252) = ( 0.3888889 0.3888889 0.2964903), wk = 0.0029240 k( 253) = ( 0.3796296 0.3796296 0.2964903), wk = 0.0029240 k( 254) = ( 0.3703704 0.3703704 0.2964903), wk = 0.0029240 k( 255) = ( 0.3611111 0.3611111 0.2964903), wk = 0.0029240 k( 256) = ( 0.3518519 0.3518518 0.2964903), wk = 0.0029240 k( 257) = ( 0.3425926 0.3425926 0.2964903), wk = 0.0029240 k( 258) = ( 0.3333333 0.3333333 0.2964903), wk = 0.0029240 k( 259) = ( 0.3240741 0.3240741 0.2964903), wk = 0.0029240 k( 260) = ( 0.3148148 0.3148148 0.2964903), wk = 0.0029240 k( 261) = ( 0.3055556 0.3055556 0.2964903), wk = 0.0029240 k( 262) = ( 0.2962963 0.2962963 0.2964903), wk = 0.0029240 k( 263) = ( 0.2870370 0.2870370 0.2964903), wk = 0.0029240 k( 264) = ( 0.2777778 0.2777778 0.2964903), wk = 0.0029240 k( 265) = ( 0.2685185 0.2685185 0.2964903), wk = 0.0029240 k( 266) = ( 0.2592593 0.2592593 0.2964903), wk = 0.0029240 k( 267) = ( 0.2500000 0.2500000 0.2964903), wk = 0.0029240 k( 268) = ( 0.2407407 0.2407407 0.2964903), wk = 0.0029240 k( 269) = ( 0.2314815 0.2314815 0.2964903), wk = 0.0029240 k( 270) = ( 0.2222222 0.2222222 0.2964903), wk = 0.0029240 k( 271) = ( 0.2129630 0.2129630 0.2964903), wk = 0.0029240 k( 272) = ( 0.2037037 0.2037037 0.2964903), wk = 0.0029240 k( 273) = ( 0.1944444 0.1944444 0.2964903), wk = 0.0029240 k( 274) = ( 0.1851852 0.1851852 0.2964903), wk = 0.0029240 k( 275) = ( 0.1759259 0.1759259 0.2964903), wk = 0.0029240 k( 276) = ( 0.1666667 0.1666667 0.2964903), wk = 0.0029240 k( 277) = ( 0.1574074 0.1574074 0.2964903), wk = 0.0029240 k( 278) = ( 0.1481482 0.1481481 0.2964903), wk = 0.0029240 k( 279) = ( 0.1388889 0.1388889 0.2964903), wk = 0.0029240 k( 280) = ( 0.1296296 0.1296296 0.2964903), wk = 0.0029240 k( 281) = ( 0.1203704 0.1203704 0.2964903), wk = 0.0029240 k( 282) = ( 0.1111111 0.1111111 0.2964903), wk = 0.0029240 k( 283) = ( 0.1018518 0.1018518 0.2964903), wk = 0.0029240 k( 284) = ( 0.0925926 0.0925926 0.2964903), wk = 0.0029240 k( 285) = ( 0.0833333 0.0833333 0.2964903), wk = 0.0029240 k( 286) = ( 0.0740741 0.0740741 0.2964903), wk = 0.0029240 k( 287) = ( 0.0648148 0.0648148 0.2964903), wk = 0.0029240 k( 288) = ( 0.0555556 0.0555556 0.2964903), wk = 0.0029240 k( 289) = ( 0.0462963 0.0462963 0.2964903), wk = 0.0029240 k( 290) = ( 0.0370370 0.0370370 0.2964903), wk = 0.0029240 k( 291) = ( 0.0277778 0.0277778 0.2964903), wk = 0.0029240 k( 292) = ( 0.0185185 0.0185185 0.2964903), wk = 0.0029240 k( 293) = ( 0.0092593 0.0092593 0.2964903), wk = 0.0029240 k( 294) = ( 0.0000000 0.0000000 0.2964903), wk = 0.0029240 k( 295) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029240 k( 296) = ( 0.0000000 0.5000000 0.0128909), wk = 0.0029240 k( 297) = ( 0.0000000 0.5000000 0.0257818), wk = 0.0029240 k( 298) = ( 0.0000000 0.5000000 0.0386726), wk = 0.0029240 k( 299) = ( 0.0000000 0.5000000 0.0515635), wk = 0.0029240 k( 300) = ( 0.0000000 0.5000000 0.0644544), wk = 0.0029240 k( 301) = ( 0.0000000 0.5000000 0.0773453), wk = 0.0029240 k( 302) = ( 0.0000000 0.5000000 0.0902362), wk = 0.0029240 k( 303) = ( 0.0000000 0.5000000 0.1031271), wk = 0.0029240 k( 304) = ( 0.0000000 0.5000000 0.1160179), wk = 0.0029240 k( 305) = ( 0.0000000 0.5000000 0.1289088), wk = 0.0029240 k( 306) = ( 0.0000000 0.5000000 0.1417997), wk = 0.0029240 k( 307) = ( 0.0000000 0.5000000 0.1546906), wk = 0.0029240 k( 308) = ( 0.0000000 0.5000000 0.1675815), wk = 0.0029240 k( 309) = ( 0.0000000 0.5000000 0.1804724), wk = 0.0029240 k( 310) = ( 0.0000000 0.5000000 0.1933633), wk = 0.0029240 k( 311) = ( 0.0000000 0.5000000 0.2062541), wk = 0.0029240 k( 312) = ( 0.0000000 0.5000000 0.2191450), wk = 0.0029240 k( 313) = ( 0.0000000 0.5000000 0.2320359), wk = 0.0029240 k( 314) = ( 0.0000000 0.5000000 0.2449268), wk = 0.0029240 k( 315) = ( 0.0000000 0.5000000 0.2578177), wk = 0.0029240 k( 316) = ( 0.0000000 0.5000000 0.2707086), wk = 0.0029240 k( 317) = ( 0.0000000 0.5000000 0.2835994), wk = 0.0029240 k( 318) = ( 0.0000000 0.5000000 0.2964903), wk = 0.0029240 k( 319) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029240 k( 320) = ( 0.5000000 0.5000000 0.0128909), wk = 0.0029240 k( 321) = ( 0.5000000 0.5000000 0.0257818), wk = 0.0029240 k( 322) = ( 0.5000000 0.5000000 0.0386726), wk = 0.0029240 k( 323) = ( 0.5000000 0.5000000 0.0515635), wk = 0.0029240 k( 324) = ( 0.5000000 0.5000000 0.0644544), wk = 0.0029240 k( 325) = ( 0.5000000 0.5000000 0.0773453), wk = 0.0029240 k( 326) = ( 0.5000000 0.5000000 0.0902362), wk = 0.0029240 k( 327) = ( 0.5000000 0.5000000 0.1031271), wk = 0.0029240 k( 328) = ( 0.5000000 0.5000000 0.1160179), wk = 0.0029240 k( 329) = ( 0.5000000 0.5000000 0.1289088), wk = 0.0029240 k( 330) = ( 0.5000000 0.5000000 0.1417997), wk = 0.0029240 k( 331) = ( 0.5000000 0.5000000 0.1546906), wk = 0.0029240 k( 332) = ( 0.5000000 0.5000000 0.1675815), wk = 0.0029240 k( 333) = ( 0.5000000 0.5000000 0.1804724), wk = 0.0029240 k( 334) = ( 0.5000000 0.5000000 0.1933633), wk = 0.0029240 k( 335) = ( 0.5000000 0.5000000 0.2062541), wk = 0.0029240 k( 336) = ( 0.5000000 0.5000000 0.2191450), wk = 0.0029240 k( 337) = ( 0.5000000 0.5000000 0.2320359), wk = 0.0029240 k( 338) = ( 0.5000000 0.5000000 0.2449268), wk = 0.0029240 k( 339) = ( 0.5000000 0.5000000 0.2578177), wk = 0.0029240 k( 340) = ( 0.5000000 0.5000000 0.2707086), wk = 0.0029240 k( 341) = ( 0.5000000 0.5000000 0.2835994), wk = 0.0029240 k( 342) = ( 0.5000000 0.5000000 0.2964903), wk = 0.0029240 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 2) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0029240 k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0029240 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0029240 k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0029240 k( 6) = ( 0.0000000 0.0641026 0.0000000), wk = 0.0029240 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0029240 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0029240 k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0029240 k( 10) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0029240 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0029240 k( 12) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0029240 k( 13) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0029240 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0029240 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0029240 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0029240 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0029240 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0029240 k( 19) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0029240 k( 20) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0029240 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0029240 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0029240 k( 23) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0029240 k( 24) = ( 0.0000000 0.2948718 0.0000000), wk = 0.0029240 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0029240 k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0029240 k( 27) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0029240 k( 28) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0029240 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0029240 k( 30) = ( 0.0000000 0.3717949 0.0000000), wk = 0.0029240 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0029240 k( 32) = ( 0.0000000 0.3974359 0.0000000), wk = 0.0029240 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0029240 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0029240 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0029240 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0029240 k( 37) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0029240 k( 38) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0029240 k( 39) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0029240 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029240 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029240 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0029240 k( 43) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0029240 k( 44) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0029240 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0029240 k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0029240 k( 47) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0029240 k( 48) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0029240 k( 49) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0029240 k( 50) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0029240 k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0029240 k( 52) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0029240 k( 53) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0029240 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0029240 k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0029240 k( 56) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0029240 k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0029240 k( 58) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0029240 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0029240 k( 60) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0029240 k( 61) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0029240 k( 62) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0029240 k( 63) = ( 0.2820513 0.5000000 0.0000000), wk = 0.0029240 k( 64) = ( 0.2948718 0.5000000 0.0000000), wk = 0.0029240 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0029240 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0029240 k( 67) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0029240 k( 68) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0029240 k( 69) = ( 0.3589744 0.5000000 0.0000000), wk = 0.0029240 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0029240 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0029240 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0029240 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0029240 k( 74) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0029240 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0029240 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0029240 k( 77) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0029240 k( 78) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0029240 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0029240 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029240 k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029240 k( 82) = ( 0.4907407 0.4907407 0.0000000), wk = 0.0029240 k( 83) = ( 0.4814815 0.4814815 0.0000000), wk = 0.0029240 k( 84) = ( 0.4722222 0.4722222 0.0000000), wk = 0.0029240 k( 85) = ( 0.4629630 0.4629630 0.0000000), wk = 0.0029240 k( 86) = ( 0.4537037 0.4537037 -0.0000000), wk = 0.0029240 k( 87) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0029240 k( 88) = ( 0.4351852 0.4351852 -0.0000000), wk = 0.0029240 k( 89) = ( 0.4259259 0.4259259 0.0000000), wk = 0.0029240 k( 90) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0029240 k( 91) = ( 0.4074074 0.4074074 -0.0000000), wk = 0.0029240 k( 92) = ( 0.3981481 0.3981481 -0.0000000), wk = 0.0029240 k( 93) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0029240 k( 94) = ( 0.3796296 0.3796296 -0.0000000), wk = 0.0029240 k( 95) = ( 0.3703704 0.3703704 -0.0000000), wk = 0.0029240 k( 96) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0029240 k( 97) = ( 0.3518519 0.3518519 -0.0000000), wk = 0.0029240 k( 98) = ( 0.3425926 0.3425926 -0.0000000), wk = 0.0029240 k( 99) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029240 k( 100) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0029240 k( 101) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0029240 k( 102) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0029240 k( 103) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0029240 k( 104) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0029240 k( 105) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0029240 k( 106) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0029240 k( 107) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0029240 k( 108) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0029240 k( 109) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0029240 k( 110) = ( 0.2314815 0.2314815 0.0000000), wk = 0.0029240 k( 111) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0029240 k( 112) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0029240 k( 113) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0029240 k( 114) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0029240 k( 115) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0029240 k( 116) = ( 0.1759259 0.1759259 0.0000000), wk = 0.0029240 k( 117) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0029240 k( 118) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0029240 k( 119) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0029240 k( 120) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0029240 k( 121) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0029240 k( 122) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0029240 k( 123) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0029240 k( 124) = ( 0.1018518 0.1018518 -0.0000000), wk = 0.0029240 k( 125) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0029240 k( 126) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0029240 k( 127) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0029240 k( 128) = ( 0.0648148 0.0648148 0.0000000), wk = 0.0029240 k( 129) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0029240 k( 130) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0029240 k( 131) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0029240 k( 132) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0029240 k( 133) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0029240 k( 134) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0029240 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 137) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0029240 k( 138) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0029240 k( 139) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0029240 k( 140) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0029240 k( 141) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0029240 k( 142) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0029240 k( 143) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0029240 k( 144) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0029240 k( 145) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0029240 k( 146) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0029240 k( 147) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0029240 k( 148) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0029240 k( 149) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0029240 k( 150) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0029240 k( 151) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0029240 k( 152) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0029240 k( 153) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0029240 k( 154) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0029240 k( 155) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0029240 k( 156) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0029240 k( 157) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0029240 k( 158) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0029240 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029240 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029240 k( 161) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0029240 k( 162) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0029240 k( 163) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0029240 k( 164) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0029240 k( 165) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0029240 k( 166) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0029240 k( 167) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0029240 k( 168) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0029240 k( 169) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0029240 k( 170) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0029240 k( 171) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0029240 k( 172) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0029240 k( 173) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0029240 k( 174) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0029240 k( 175) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0029240 k( 176) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0029240 k( 177) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0029240 k( 178) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0029240 k( 179) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0029240 k( 180) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0029240 k( 181) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0029240 k( 182) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0029240 k( 183) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0029240 k( 184) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0029240 k( 185) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0029240 k( 186) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0029240 k( 187) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0029240 k( 188) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0029240 k( 189) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0029240 k( 190) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0029240 k( 191) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0029240 k( 192) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0029240 k( 193) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0029240 k( 194) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0029240 k( 195) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0029240 k( 196) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0029240 k( 197) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0029240 k( 198) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0029240 k( 199) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029240 k( 200) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029240 k( 201) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0029240 k( 202) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0029240 k( 203) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0029240 k( 204) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0029240 k( 205) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0029240 k( 206) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0029240 k( 207) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0029240 k( 208) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0029240 k( 209) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0029240 k( 210) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0029240 k( 211) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0029240 k( 212) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0029240 k( 213) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0029240 k( 214) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0029240 k( 215) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0029240 k( 216) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0029240 k( 217) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0029240 k( 218) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0029240 k( 219) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0029240 k( 220) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0029240 k( 221) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0029240 k( 222) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0029240 k( 223) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0029240 k( 224) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0029240 k( 225) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0029240 k( 226) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0029240 k( 227) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0029240 k( 228) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0029240 k( 229) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0029240 k( 230) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0029240 k( 231) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0029240 k( 232) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0029240 k( 233) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0029240 k( 234) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0029240 k( 235) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0029240 k( 236) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0029240 k( 237) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0029240 k( 238) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0029240 k( 239) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029240 k( 240) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029240 k( 241) = ( 0.4907407 0.4907407 0.5000000), wk = 0.0029240 k( 242) = ( 0.4814815 0.4814815 0.5000000), wk = 0.0029240 k( 243) = ( 0.4722222 0.4722222 0.5000000), wk = 0.0029240 k( 244) = ( 0.4629630 0.4629630 0.5000000), wk = 0.0029240 k( 245) = ( 0.4537037 0.4537037 0.5000000), wk = 0.0029240 k( 246) = ( 0.4444444 0.4444444 0.5000000), wk = 0.0029240 k( 247) = ( 0.4351852 0.4351852 0.5000000), wk = 0.0029240 k( 248) = ( 0.4259259 0.4259259 0.5000000), wk = 0.0029240 k( 249) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0029240 k( 250) = ( 0.4074074 0.4074074 0.5000000), wk = 0.0029240 k( 251) = ( 0.3981481 0.3981481 0.5000000), wk = 0.0029240 k( 252) = ( 0.3888889 0.3888889 0.5000000), wk = 0.0029240 k( 253) = ( 0.3796296 0.3796296 0.5000000), wk = 0.0029240 k( 254) = ( 0.3703704 0.3703704 0.5000000), wk = 0.0029240 k( 255) = ( 0.3611111 0.3611111 0.5000000), wk = 0.0029240 k( 256) = ( 0.3518519 0.3518519 0.5000000), wk = 0.0029240 k( 257) = ( 0.3425926 0.3425926 0.5000000), wk = 0.0029240 k( 258) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029240 k( 259) = ( 0.3240741 0.3240741 0.5000000), wk = 0.0029240 k( 260) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0029240 k( 261) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0029240 k( 262) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0029240 k( 263) = ( 0.2870370 0.2870370 0.5000000), wk = 0.0029240 k( 264) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0029240 k( 265) = ( 0.2685185 0.2685185 0.5000000), wk = 0.0029240 k( 266) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0029240 k( 267) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029240 k( 268) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0029240 k( 269) = ( 0.2314815 0.2314815 0.5000000), wk = 0.0029240 k( 270) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0029240 k( 271) = ( 0.2129630 0.2129630 0.5000000), wk = 0.0029240 k( 272) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0029240 k( 273) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0029240 k( 274) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0029240 k( 275) = ( 0.1759259 0.1759259 0.5000000), wk = 0.0029240 k( 276) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0029240 k( 277) = ( 0.1574074 0.1574074 0.5000000), wk = 0.0029240 k( 278) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0029240 k( 279) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0029240 k( 280) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0029240 k( 281) = ( 0.1203704 0.1203704 0.5000000), wk = 0.0029240 k( 282) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0029240 k( 283) = ( 0.1018518 0.1018518 0.5000000), wk = 0.0029240 k( 284) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0029240 k( 285) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0029240 k( 286) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0029240 k( 287) = ( 0.0648148 0.0648148 0.5000000), wk = 0.0029240 k( 288) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0029240 k( 289) = ( 0.0462963 0.0462963 0.5000000), wk = 0.0029240 k( 290) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0029240 k( 291) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0029240 k( 292) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0029240 k( 293) = ( 0.0092593 0.0092593 0.5000000), wk = 0.0029240 k( 294) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029240 k( 295) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029240 k( 296) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0029240 k( 297) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0029240 k( 298) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0029240 k( 299) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0029240 k( 300) = ( 0.0000000 0.5000000 0.1086956), wk = 0.0029240 k( 301) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0029240 k( 302) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0029240 k( 303) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0029240 k( 304) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0029240 k( 305) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0029240 k( 306) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0029240 k( 307) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0029240 k( 308) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0029240 k( 309) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0029240 k( 310) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0029240 k( 311) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0029240 k( 312) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0029240 k( 313) = ( 0.0000000 0.5000000 0.3913044), wk = 0.0029240 k( 314) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0029240 k( 315) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0029240 k( 316) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0029240 k( 317) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0029240 k( 318) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029240 k( 319) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029240 k( 320) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0029240 k( 321) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0029240 k( 322) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0029240 k( 323) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0029240 k( 324) = ( 0.5000000 0.5000000 0.1086957), wk = 0.0029240 k( 325) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0029240 k( 326) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0029240 k( 327) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0029240 k( 328) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0029240 k( 329) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0029240 k( 330) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0029240 k( 331) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0029240 k( 332) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0029240 k( 333) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0029240 k( 334) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0029240 k( 335) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0029240 k( 336) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0029240 k( 337) = ( 0.5000000 0.5000000 0.3913044), wk = 0.0029240 k( 338) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0029240 k( 339) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0029240 k( 340) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0029240 k( 341) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0029240 k( 342) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029240 Dense grid: 76159 G-vectors FFT dimensions: ( 45, 45, 75) Smooth grid: 38207 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 266, 58) NL pseudopotentials 0.33 Mb ( 133, 164) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2117) G-vector shells 0.01 Mb ( 1044) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.94 Mb ( 266, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrClF.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 7.1 secs Computing kpt #: 8 total cpu time spent up to now is 7.6 secs Computing kpt #: 9 total cpu time spent up to now is 8.2 secs Computing kpt #: 10 total cpu time spent up to now is 8.8 secs Computing kpt #: 11 total cpu time spent up to now is 9.3 secs Computing kpt #: 12 total cpu time spent up to now is 9.8 secs Computing kpt #: 13 total cpu time spent up to now is 10.4 secs Computing kpt #: 14 total cpu time spent up to now is 10.9 secs Computing kpt #: 15 total cpu time spent up to now is 11.5 secs Computing kpt #: 16 total cpu time spent up to now is 12.0 secs Computing kpt #: 17 total cpu time spent up to now is 12.4 secs Computing kpt #: 18 total cpu time spent up to now is 12.9 secs Computing kpt #: 19 total cpu time spent up to now is 13.4 secs Computing kpt #: 20 total cpu time spent up to now is 13.8 secs Computing kpt #: 21 total cpu time spent up to now is 14.3 secs Computing kpt #: 22 total cpu time spent up to now is 14.7 secs Computing kpt #: 23 total cpu time spent up to now is 15.2 secs Computing kpt #: 24 total cpu time spent up to now is 15.7 secs Computing kpt #: 25 total cpu time spent up to now is 16.1 secs Computing kpt #: 26 total cpu time spent up to now is 16.6 secs Computing kpt #: 27 total cpu time spent up to now is 17.0 secs Computing kpt #: 28 total cpu time spent up to now is 17.5 secs Computing kpt #: 29 total cpu time spent up to now is 18.0 secs Computing kpt #: 30 total cpu time spent up to now is 18.4 secs Computing kpt #: 31 total cpu time spent up to now is 18.9 secs Computing kpt #: 32 total cpu time spent up to now is 19.4 secs Computing kpt #: 33 total cpu time spent up to now is 19.9 secs Computing kpt #: 34 total cpu time spent up to now is 20.4 secs Computing kpt #: 35 total cpu time spent up to now is 20.9 secs Computing kpt #: 36 total cpu time spent up to now is 21.5 secs Computing kpt #: 37 total cpu time spent up to now is 22.0 secs Computing kpt #: 38 total cpu time spent up to now is 22.6 secs Computing kpt #: 39 total cpu time spent up to now is 23.2 secs Computing kpt #: 40 total cpu time spent up to now is 23.7 secs Computing kpt #: 41 total cpu time spent up to now is 24.2 secs Computing kpt #: 42 total cpu time spent up to now is 24.8 secs Computing kpt #: 43 total cpu time spent up to now is 25.4 secs Computing kpt #: 44 total cpu time spent up to now is 26.0 secs Computing kpt #: 45 total cpu time spent up to now is 26.6 secs Computing kpt #: 46 total cpu time spent up to now is 27.1 secs Computing kpt #: 47 total cpu time spent up to now is 27.7 secs Computing kpt #: 48 total cpu time spent up to now is 28.3 secs Computing kpt #: 49 total cpu time spent up to now is 28.9 secs Computing kpt #: 50 total cpu time spent up to now is 29.4 secs Computing kpt #: 51 total cpu time spent up to now is 29.9 secs Computing kpt #: 52 total cpu time spent up to now is 30.4 secs Computing kpt #: 53 total cpu time spent up to now is 31.0 secs Computing kpt #: 54 total cpu time spent up to now is 31.6 secs Computing kpt #: 55 total cpu time spent up to now is 32.2 secs Computing kpt #: 56 total cpu time spent up to now is 32.7 secs Computing kpt #: 57 total cpu time spent up to now is 33.3 secs Computing kpt #: 58 total cpu time spent up to now is 33.9 secs Computing kpt #: 59 total cpu time spent up to now is 34.4 secs Computing kpt #: 60 total cpu time spent up to now is 35.0 secs Computing kpt #: 61 total cpu time spent up to now is 35.6 secs Computing kpt #: 62 total cpu time spent up to now is 36.2 secs Computing kpt #: 63 total cpu time spent up to now is 36.8 secs Computing kpt #: 64 total cpu time spent up to now is 37.4 secs Computing kpt #: 65 total cpu time spent up to now is 38.0 secs Computing kpt #: 66 total cpu time spent up to now is 38.6 secs Computing kpt #: 67 total cpu time spent up to now is 39.2 secs Computing kpt #: 68 total cpu time spent up to now is 39.8 secs Computing kpt #: 69 total cpu time spent up to now is 40.4 secs Computing kpt #: 70 total cpu time spent up to now is 41.0 secs Computing kpt #: 71 total cpu time spent up to now is 41.6 secs Computing kpt #: 72 total cpu time spent up to now is 42.2 secs Computing kpt #: 73 total cpu time spent up to now is 42.8 secs Computing kpt #: 74 total cpu time spent up to now is 43.4 secs Computing kpt #: 75 total cpu time spent up to now is 44.0 secs Computing kpt #: 76 total cpu time spent up to now is 44.7 secs Computing kpt #: 77 total cpu time spent up to now is 45.4 secs Computing kpt #: 78 total cpu time spent up to now is 46.0 secs Computing kpt #: 79 total cpu time spent up to now is 47.0 secs Computing kpt #: 80 total cpu time spent up to now is 47.5 secs Computing kpt #: 81 total cpu time spent up to now is 48.0 secs Computing kpt #: 82 total cpu time spent up to now is 48.6 secs Computing kpt #: 83 total cpu time spent up to now is 49.3 secs Computing kpt #: 84 total cpu time spent up to now is 49.9 secs Computing kpt #: 85 total cpu time spent up to now is 50.4 secs Computing kpt #: 86 total cpu time spent up to now is 51.0 secs Computing kpt #: 87 total cpu time spent up to now is 51.6 secs Computing kpt #: 88 total cpu time spent up to now is 52.2 secs Computing kpt #: 89 total cpu time spent up to now is 52.8 secs Computing kpt #: 90 total cpu time spent up to now is 53.3 secs Computing kpt #: 91 total cpu time spent up to now is 53.8 secs Computing kpt #: 92 total cpu time spent up to now is 54.4 secs Computing kpt #: 93 total cpu time spent up to now is 54.9 secs Computing kpt #: 94 total cpu time spent up to now is 55.4 secs Computing kpt #: 95 total cpu time spent up to now is 55.9 secs Computing kpt #: 96 total cpu time spent up to now is 56.4 secs Computing kpt #: 97 total cpu time spent up to now is 56.9 secs Computing kpt #: 98 total cpu time spent up to now is 57.4 secs Computing kpt #: 99 total cpu time spent up to now is 57.9 secs Computing kpt #: 100 total cpu time spent up to now is 58.5 secs Computing kpt #: 101 total cpu time spent up to now is 59.0 secs Computing kpt #: 102 total cpu time spent up to now is 59.5 secs Computing kpt #: 103 total cpu time spent up to now is 60.0 secs Computing kpt #: 104 total cpu time spent up to now is 60.5 secs Computing kpt #: 105 total cpu time spent up to now is 61.0 secs Computing kpt #: 106 total cpu time spent up to now is 61.5 secs Computing kpt #: 107 total cpu time spent up to now is 62.0 secs Computing kpt #: 108 total cpu time spent up to now is 62.4 secs Computing kpt #: 109 total cpu time spent up to now is 62.9 secs Computing kpt #: 110 total cpu time spent up to now is 63.4 secs Computing kpt #: 111 total cpu time spent up to now is 63.8 secs Computing kpt #: 112 total cpu time spent up to now is 64.3 secs Computing kpt #: 113 total cpu time spent up to now is 64.8 secs Computing kpt #: 114 total cpu time spent up to now is 65.2 secs Computing kpt #: 115 total cpu time spent up to now is 65.7 secs Computing kpt #: 116 total cpu time spent up to now is 66.2 secs Computing kpt #: 117 total cpu time spent up to now is 66.7 secs Computing kpt #: 118 total cpu time spent up to now is 67.3 secs Computing kpt #: 119 total cpu time spent up to now is 67.8 secs Computing kpt #: 120 total cpu time spent up to now is 68.3 secs Computing kpt #: 121 total cpu time spent up to now is 68.9 secs Computing kpt #: 122 total cpu time spent up to now is 69.4 secs Computing kpt #: 123 total cpu time spent up to now is 69.9 secs Computing kpt #: 124 total cpu time spent up to now is 70.4 secs Computing kpt #: 125 total cpu time spent up to now is 70.9 secs Computing kpt #: 126 total cpu time spent up to now is 71.4 secs Computing kpt #: 127 total cpu time spent up to now is 72.0 secs Computing kpt #: 128 total cpu time spent up to now is 72.5 secs Computing kpt #: 129 total cpu time spent up to now is 73.1 secs Computing kpt #: 130 total cpu time spent up to now is 73.7 secs Computing kpt #: 131 total cpu time spent up to now is 74.2 secs Computing kpt #: 132 total cpu time spent up to now is 74.8 secs Computing kpt #: 133 total cpu time spent up to now is 75.4 secs Computing kpt #: 134 total cpu time spent up to now is 76.0 secs Computing kpt #: 135 total cpu time spent up to now is 76.5 secs Computing kpt #: 136 total cpu time spent up to now is 77.1 secs Computing kpt #: 137 total cpu time spent up to now is 77.7 secs Computing kpt #: 138 total cpu time spent up to now is 78.3 secs Computing kpt #: 139 total cpu time spent up to now is 78.8 secs Computing kpt #: 140 total cpu time spent up to now is 79.4 secs Computing kpt #: 141 total cpu time spent up to now is 80.0 secs Computing kpt #: 142 total cpu time spent up to now is 80.6 secs Computing kpt #: 143 total cpu time spent up to now is 81.2 secs Computing kpt #: 144 total cpu time spent up to now is 81.7 secs Computing kpt #: 145 total cpu time spent up to now is 82.3 secs Computing kpt #: 146 total cpu time spent up to now is 82.9 secs Computing kpt #: 147 total cpu time spent up to now is 83.5 secs Computing kpt #: 148 total cpu time spent up to now is 84.1 secs Computing kpt #: 149 total cpu time spent up to now is 84.6 secs Computing kpt #: 150 total cpu time spent up to now is 85.2 secs Computing kpt #: 151 total cpu time spent up to now is 85.8 secs Computing kpt #: 152 total cpu time spent up to now is 86.4 secs Computing kpt #: 153 total cpu time spent up to now is 87.0 secs Computing kpt #: 154 total cpu time spent up to now is 87.6 secs Computing kpt #: 155 total cpu time spent up to now is 88.2 secs Computing kpt #: 156 total cpu time spent up to now is 88.7 secs Computing kpt #: 157 total cpu time spent up to now is 89.3 secs Computing kpt #: 158 total cpu time spent up to now is 89.9 secs Computing kpt #: 159 total cpu time spent up to now is 90.5 secs Computing kpt #: 160 total cpu time spent up to now is 91.1 secs Computing kpt #: 161 total cpu time spent up to now is 91.7 secs Computing kpt #: 162 total cpu time spent up to now is 92.3 secs Computing kpt #: 163 total cpu time spent up to now is 92.9 secs Computing kpt #: 164 total cpu time spent up to now is 93.5 secs Computing kpt #: 165 total cpu time spent up to now is 94.0 secs Computing kpt #: 166 total cpu time spent up to now is 94.6 secs Computing kpt #: 167 total cpu time spent up to now is 95.2 secs Computing kpt #: 168 total cpu time spent up to now is 95.8 secs Computing kpt #: 169 total cpu time spent up to now is 96.4 secs Computing kpt #: 170 total cpu time spent up to now is 96.9 secs Computing kpt #: 171 total cpu time spent up to now is 97.5 secs Computing kpt #: 172 total cpu time spent up to now is 98.1 secs Computing kpt #: 173 total cpu time spent up to now is 98.7 secs Computing kpt #: 174 total cpu time spent up to now is 99.3 secs Computing kpt #: 175 total cpu time spent up to now is 99.9 secs Computing kpt #: 176 total cpu time spent up to now is 100.4 secs Computing kpt #: 177 total cpu time spent up to now is 101.0 secs Computing kpt #: 178 total cpu time spent up to now is 101.5 secs Computing kpt #: 179 total cpu time spent up to now is 102.0 secs Computing kpt #: 180 total cpu time spent up to now is 102.5 secs Computing kpt #: 181 total cpu time spent up to now is 103.1 secs Computing kpt #: 182 total cpu time spent up to now is 103.6 secs Computing kpt #: 183 total cpu time spent up to now is 104.1 secs Computing kpt #: 184 total cpu time spent up to now is 104.6 secs Computing kpt #: 185 total cpu time spent up to now is 105.2 secs Computing kpt #: 186 total cpu time spent up to now is 105.8 secs Computing kpt #: 187 total cpu time spent up to now is 106.3 secs Computing kpt #: 188 total cpu time spent up to now is 106.8 secs Computing kpt #: 189 total cpu time spent up to now is 107.4 secs Computing kpt #: 190 total cpu time spent up to now is 107.9 secs Computing kpt #: 191 total cpu time spent up to now is 108.4 secs Computing kpt #: 192 total cpu time spent up to now is 109.0 secs Computing kpt #: 193 total cpu time spent up to now is 109.5 secs Computing kpt #: 194 total cpu time spent up to now is 110.1 secs Computing kpt #: 195 total cpu time spent up to now is 110.6 secs Computing kpt #: 196 total cpu time spent up to now is 111.1 secs Computing kpt #: 197 total cpu time spent up to now is 111.7 secs Computing kpt #: 198 total cpu time spent up to now is 112.3 secs Computing kpt #: 199 total cpu time spent up to now is 112.8 secs Computing kpt #: 200 total cpu time spent up to now is 113.3 secs Computing kpt #: 201 total cpu time spent up to now is 113.9 secs Computing kpt #: 202 total cpu time spent up to now is 114.5 secs Computing kpt #: 203 total cpu time spent up to now is 115.1 secs Computing kpt #: 204 total cpu time spent up to now is 115.7 secs Computing kpt #: 205 total cpu time spent up to now is 116.3 secs Computing kpt #: 206 total cpu time spent up to now is 116.9 secs Computing kpt #: 207 total cpu time spent up to now is 117.5 secs Computing kpt #: 208 total cpu time spent up to now is 118.1 secs Computing kpt #: 209 total cpu time spent up to now is 118.6 secs Computing kpt #: 210 total cpu time spent up to now is 119.1 secs Computing kpt #: 211 total cpu time spent up to now is 119.7 secs Computing kpt #: 212 total cpu time spent up to now is 120.2 secs Computing kpt #: 213 total cpu time spent up to now is 120.7 secs Computing kpt #: 214 total cpu time spent up to now is 121.2 secs Computing kpt #: 215 total cpu time spent up to now is 121.8 secs Computing kpt #: 216 total cpu time spent up to now is 122.3 secs Computing kpt #: 217 total cpu time spent up to now is 122.8 secs Computing kpt #: 218 total cpu time spent up to now is 123.4 secs Computing kpt #: 219 total cpu time spent up to now is 124.0 secs Computing kpt #: 220 total cpu time spent up to now is 124.6 secs Computing kpt #: 221 total cpu time spent up to now is 125.2 secs Computing kpt #: 222 total cpu time spent up to now is 125.8 secs Computing kpt #: 223 total cpu time spent up to now is 126.4 secs Computing kpt #: 224 total cpu time spent up to now is 127.0 secs Computing kpt #: 225 total cpu time spent up to now is 127.6 secs Computing kpt #: 226 total cpu time spent up to now is 128.2 secs Computing kpt #: 227 total cpu time spent up to now is 128.8 secs Computing kpt #: 228 total cpu time spent up to now is 129.4 secs Computing kpt #: 229 total cpu time spent up to now is 130.0 secs Computing kpt #: 230 total cpu time spent up to now is 130.6 secs Computing kpt #: 231 total cpu time spent up to now is 131.2 secs Computing kpt #: 232 total cpu time spent up to now is 131.8 secs Computing kpt #: 233 total cpu time spent up to now is 132.4 secs Computing kpt #: 234 total cpu time spent up to now is 133.0 secs Computing kpt #: 235 total cpu time spent up to now is 133.6 secs Computing kpt #: 236 total cpu time spent up to now is 134.3 secs Computing kpt #: 237 total cpu time spent up to now is 134.9 secs Computing kpt #: 238 total cpu time spent up to now is 135.6 secs Computing kpt #: 239 total cpu time spent up to now is 136.2 secs Computing kpt #: 240 total cpu time spent up to now is 136.8 secs Computing kpt #: 241 total cpu time spent up to now is 137.5 secs Computing kpt #: 242 total cpu time spent up to now is 138.1 secs Computing kpt #: 243 total cpu time spent up to now is 138.7 secs Computing kpt #: 244 total cpu time spent up to now is 139.3 secs Computing kpt #: 245 total cpu time spent up to now is 139.9 secs Computing kpt #: 246 total cpu time spent up to now is 140.5 secs Computing kpt #: 247 total cpu time spent up to now is 141.1 secs Computing kpt #: 248 total cpu time spent up to now is 141.7 secs Computing kpt #: 249 total cpu time spent up to now is 142.3 secs Computing kpt #: 250 total cpu time spent up to now is 142.9 secs Computing kpt #: 251 total cpu time spent up to now is 143.4 secs Computing kpt #: 252 total cpu time spent up to now is 143.9 secs Computing kpt #: 253 total cpu time spent up to now is 144.5 secs Computing kpt #: 254 total cpu time spent up to now is 145.0 secs Computing kpt #: 255 total cpu time spent up to now is 145.5 secs Computing kpt #: 256 total cpu time spent up to now is 146.0 secs Computing kpt #: 257 total cpu time spent up to now is 146.6 secs Computing kpt #: 258 total cpu time spent up to now is 147.1 secs Computing kpt #: 259 total cpu time spent up to now is 147.7 secs Computing kpt #: 260 total cpu time spent up to now is 148.3 secs Computing kpt #: 261 total cpu time spent up to now is 148.9 secs Computing kpt #: 262 total cpu time spent up to now is 149.5 secs Computing kpt #: 263 total cpu time spent up to now is 150.1 secs Computing kpt #: 264 total cpu time spent up to now is 150.7 secs Computing kpt #: 265 total cpu time spent up to now is 151.3 secs Computing kpt #: 266 total cpu time spent up to now is 151.9 secs Computing kpt #: 267 total cpu time spent up to now is 152.5 secs Computing kpt #: 268 total cpu time spent up to now is 153.1 secs Computing kpt #: 269 total cpu time spent up to now is 153.7 secs Computing kpt #: 270 total cpu time spent up to now is 154.3 secs Computing kpt #: 271 total cpu time spent up to now is 154.8 secs Computing kpt #: 272 total cpu time spent up to now is 155.3 secs Computing kpt #: 273 total cpu time spent up to now is 155.9 secs Computing kpt #: 274 total cpu time spent up to now is 156.5 secs Computing kpt #: 275 total cpu time spent up to now is 157.1 secs Computing kpt #: 276 total cpu time spent up to now is 157.6 secs Computing kpt #: 277 total cpu time spent up to now is 158.1 secs Computing kpt #: 278 total cpu time spent up to now is 158.6 secs Computing kpt #: 279 total cpu time spent up to now is 159.2 secs Computing kpt #: 280 total cpu time spent up to now is 159.7 secs Computing kpt #: 281 total cpu time spent up to now is 160.2 secs Computing kpt #: 282 total cpu time spent up to now is 160.7 secs Computing kpt #: 283 total cpu time spent up to now is 161.2 secs Computing kpt #: 284 total cpu time spent up to now is 161.8 secs Computing kpt #: 285 total cpu time spent up to now is 162.4 secs Computing kpt #: 286 total cpu time spent up to now is 162.9 secs Computing kpt #: 287 total cpu time spent up to now is 163.5 secs Computing kpt #: 288 total cpu time spent up to now is 164.1 secs Computing kpt #: 289 total cpu time spent up to now is 164.7 secs Computing kpt #: 290 total cpu time spent up to now is 165.3 secs Computing kpt #: 291 total cpu time spent up to now is 165.8 secs Computing kpt #: 292 total cpu time spent up to now is 166.4 secs Computing kpt #: 293 total cpu time spent up to now is 167.0 secs Computing kpt #: 294 total cpu time spent up to now is 167.6 secs Computing kpt #: 295 total cpu time spent up to now is 168.1 secs Computing kpt #: 296 total cpu time spent up to now is 168.6 secs Computing kpt #: 297 total cpu time spent up to now is 169.1 secs Computing kpt #: 298 total cpu time spent up to now is 169.6 secs Computing kpt #: 299 total cpu time spent up to now is 170.2 secs Computing kpt #: 300 total cpu time spent up to now is 170.7 secs Computing kpt #: 301 total cpu time spent up to now is 171.2 secs Computing kpt #: 302 total cpu time spent up to now is 171.8 secs Computing kpt #: 303 total cpu time spent up to now is 172.3 secs Computing kpt #: 304 total cpu time spent up to now is 172.8 secs Computing kpt #: 305 total cpu time spent up to now is 173.3 secs Computing kpt #: 306 total cpu time spent up to now is 173.8 secs Computing kpt #: 307 total cpu time spent up to now is 174.3 secs Computing kpt #: 308 total cpu time spent up to now is 174.9 secs Computing kpt #: 309 total cpu time spent up to now is 175.4 secs Computing kpt #: 310 total cpu time spent up to now is 176.0 secs Computing kpt #: 311 total cpu time spent up to now is 176.5 secs Computing kpt #: 312 total cpu time spent up to now is 177.0 secs Computing kpt #: 313 total cpu time spent up to now is 177.5 secs Computing kpt #: 314 total cpu time spent up to now is 178.1 secs Computing kpt #: 315 total cpu time spent up to now is 178.6 secs Computing kpt #: 316 total cpu time spent up to now is 179.1 secs Computing kpt #: 317 total cpu time spent up to now is 179.6 secs Computing kpt #: 318 total cpu time spent up to now is 180.2 secs Computing kpt #: 319 total cpu time spent up to now is 180.7 secs Computing kpt #: 320 total cpu time spent up to now is 181.2 secs Computing kpt #: 321 total cpu time spent up to now is 181.7 secs Computing kpt #: 322 total cpu time spent up to now is 182.2 secs Computing kpt #: 323 total cpu time spent up to now is 182.7 secs Computing kpt #: 324 total cpu time spent up to now is 183.3 secs Computing kpt #: 325 total cpu time spent up to now is 183.8 secs Computing kpt #: 326 total cpu time spent up to now is 184.3 secs Computing kpt #: 327 total cpu time spent up to now is 184.9 secs Computing kpt #: 328 total cpu time spent up to now is 185.4 secs Computing kpt #: 329 total cpu time spent up to now is 186.0 secs Computing kpt #: 330 total cpu time spent up to now is 186.6 secs Computing kpt #: 331 total cpu time spent up to now is 187.2 secs Computing kpt #: 332 total cpu time spent up to now is 187.8 secs Computing kpt #: 333 total cpu time spent up to now is 188.4 secs Computing kpt #: 334 total cpu time spent up to now is 189.0 secs Computing kpt #: 335 total cpu time spent up to now is 189.9 secs Computing kpt #: 336 total cpu time spent up to now is 190.5 secs Computing kpt #: 337 total cpu time spent up to now is 191.1 secs Computing kpt #: 338 total cpu time spent up to now is 191.8 secs Computing kpt #: 339 total cpu time spent up to now is 192.4 secs Computing kpt #: 340 total cpu time spent up to now is 193.1 secs Computing kpt #: 341 total cpu time spent up to now is 193.7 secs Computing kpt #: 342 total cpu time spent up to now is 194.3 secs ethr = 2.08E-08, avg # of iterations = 21.2 total cpu time spent up to now is 194.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4797 PWs) bands (ev): -27.2406 -27.2406 -27.1965 -27.1965 -16.2886 -16.2886 -15.9180 -15.9180 -10.0294 -10.0294 -9.9621 -9.9621 -9.0278 -9.0278 -8.9369 -8.9369 -8.8249 -8.8249 -8.8052 -8.8052 -7.7880 -7.7880 -7.6688 -7.6688 1.7593 1.7593 1.8577 1.8577 1.8580 1.8580 2.1504 2.1504 2.8722 2.8722 2.9176 2.9176 3.2776 3.2776 3.6361 3.6361 3.7195 3.7195 4.5146 4.5146 4.6505 4.6505 4.6664 4.6664 10.5338 10.5338 10.8125 10.8125 12.0486 12.0486 12.4054 12.4054 12.5543 12.5543 k = 0.0000 0.0128-0.0000 ( 4797 PWs) bands (ev): -27.2405 -27.2405 -27.1965 -27.1965 -16.2886 -16.2886 -15.9182 -15.9182 -10.0298 -10.0298 -9.9617 -9.9617 -9.0285 -9.0285 -8.9371 -8.9371 -8.8245 -8.8245 -8.8048 -8.8048 -7.7879 -7.7879 -7.6683 -7.6683 1.7593 1.7593 1.8581 1.8581 1.8583 1.8583 2.1505 2.1505 2.8715 2.8715 2.9168 2.9168 3.2788 3.2788 3.6359 3.6359 3.7192 3.7192 4.5138 4.5138 4.6498 4.6498 4.6650 4.6650 10.5368 10.5368 10.8164 10.8164 12.0493 12.0493 12.4067 12.4067 12.5558 12.5558 k = 0.0000 0.0256-0.0000 ( 4795 PWs) bands (ev): -27.2404 -27.2404 -27.1965 -27.1965 -16.2884 -16.2884 -15.9190 -15.9190 -10.0311 -10.0311 -9.9609 -9.9609 -9.0305 -9.0305 -8.9379 -8.9379 -8.8236 -8.8236 -8.8036 -8.8036 -7.7877 -7.7877 -7.6668 -7.6668 1.7591 1.7591 1.8591 1.8591 1.8592 1.8592 2.1507 2.1507 2.8693 2.8693 2.9145 2.9145 3.2825 3.2825 3.6352 3.6352 3.7184 3.7184 4.5112 4.5112 4.6475 4.6475 4.6610 4.6610 10.5459 10.5459 10.8281 10.8281 12.0513 12.0513 12.4107 12.4107 12.5603 12.5603 k = 0.0000 0.0385-0.0000 ( 4793 PWs) bands (ev): -27.2402 -27.2402 -27.1965 -27.1965 -16.2881 -16.2881 -15.9203 -15.9203 -10.0332 -10.0332 -9.9595 -9.9595 -9.0337 -9.0337 -8.9391 -8.9391 -8.8222 -8.8222 -8.8015 -8.8015 -7.7873 -7.7873 -7.6644 -7.6644 1.7589 1.7589 1.8607 1.8607 1.8609 1.8609 2.1512 2.1512 2.8657 2.8657 2.9107 2.9107 3.2884 3.2884 3.6342 3.6342 3.7172 3.7172 4.5068 4.5068 4.6428 4.6428 4.6552 4.6552 10.5610 10.5610 10.8474 10.8474 12.0547 12.0547 12.4170 12.4170 12.5678 12.5678 k = 0.0000 0.0513-0.0000 ( 4793 PWs) bands (ev): -27.2399 -27.2399 -27.1964 -27.1964 -16.2877 -16.2877 -15.9221 -15.9221 -10.0359 -10.0359 -9.9578 -9.9578 -9.0380 -9.0380 -8.9406 -8.9406 -8.8209 -8.8209 -8.7984 -8.7984 -7.7867 -7.7867 -7.6610 -7.6610 1.7586 1.7586 1.8629 1.8629 1.8633 1.8633 2.1518 2.1518 2.8608 2.8608 2.9055 2.9055 3.2964 3.2964 3.6326 3.6326 3.7157 3.7157 4.5003 4.5003 4.6348 4.6348 4.6494 4.6494 10.5821 10.5821 10.8741 10.8741 12.0593 12.0593 12.4255 12.4255 12.5781 12.5781 k = 0.0000 0.0641-0.0000 ( 4793 PWs) bands (ev): -27.2395 -27.2395 -27.1964 -27.1964 -16.2872 -16.2872 -15.9243 -15.9243 -10.0391 -10.0391 -9.9559 -9.9559 -9.0433 -9.0433 -8.9424 -8.9424 -8.8197 -8.8197 -8.7944 -8.7944 -7.7858 -7.7858 -7.6569 -7.6569 1.7583 1.7583 1.8657 1.8657 1.8665 1.8665 2.1525 2.1525 2.8548 2.8548 2.8992 2.8992 3.3060 3.3060 3.6305 3.6305 3.7140 3.7140 4.4914 4.4914 4.6234 4.6234 4.6439 4.6439 10.6090 10.6090 10.9082 10.9082 12.0652 12.0652 12.4355 12.4355 12.5914 12.5914 k = 0.0000 0.0769-0.0000 ( 4789 PWs) bands (ev): -27.2391 -27.2391 -27.1963 -27.1963 -16.2865 -16.2865 -15.9271 -15.9271 -10.0426 -10.0426 -9.9539 -9.9539 -9.0493 -9.0493 -8.9442 -8.9442 -8.8187 -8.8187 -8.7897 -8.7897 -7.7846 -7.7846 -7.6519 -7.6519 1.7579 1.7579 1.8691 1.8691 1.8702 1.8702 2.1533 2.1533 2.8476 2.8476 2.8918 2.8918 3.3170 3.3170 3.6277 3.6277 3.7123 3.7123 4.4796 4.4796 4.6097 4.6097 4.6384 4.6384 10.6417 10.6417 10.9492 10.9492 12.0722 12.0722 12.4463 12.4463 12.6075 12.6075 k = 0.0000 0.0897-0.0000 ( 4789 PWs) bands (ev): -27.2386 -27.2386 -27.1963 -27.1963 -16.2858 -16.2858 -15.9303 -15.9303 -10.0464 -10.0464 -9.9518 -9.9518 -9.0558 -9.0558 -8.9462 -8.9462 -8.8181 -8.8181 -8.7845 -8.7845 -7.7830 -7.7830 -7.6462 -7.6462 1.7575 1.7575 1.8730 1.8730 1.8747 1.8747 2.1541 2.1541 2.8396 2.8396 2.8834 2.8834 3.3290 3.3290 3.6242 3.6242 3.7108 3.7108 4.4647 4.4647 4.5950 4.5950 4.6325 4.6325 10.6800 10.6800 10.9968 10.9968 12.0802 12.0802 12.4568 12.4568 12.6263 12.6263 k = 0.0000 0.1026-0.0000 ( 4785 PWs) bands (ev): -27.2380 -27.2380 -27.1962 -27.1962 -16.2849 -16.2849 -15.9340 -15.9340 -10.0504 -10.0504 -9.9498 -9.9498 -9.0627 -9.0627 -8.9482 -8.9482 -8.8177 -8.8177 -8.7791 -8.7791 -7.7809 -7.7809 -7.6399 -7.6399 1.7571 1.7571 1.8776 1.8776 1.8797 1.8797 2.1550 2.1550 2.8308 2.8308 2.8742 2.8742 3.3417 3.3417 3.6200 3.6200 3.7096 3.7096 4.4465 4.4465 4.5798 4.5798 4.6262 4.6262 10.7237 10.7237 11.0508 11.0508 12.0891 12.0891 12.4657 12.4657 12.6477 12.6477 k = 0.0000 0.1154-0.0000 ( 4789 PWs) bands (ev): -27.2374 -27.2374 -27.1961 -27.1961 -16.2839 -16.2839 -15.9382 -15.9382 -10.0544 -10.0544 -9.9480 -9.9480 -9.0698 -9.0698 -8.9502 -8.9502 -8.8175 -8.8175 -8.7737 -8.7737 -7.7784 -7.7784 -7.6331 -7.6331 1.7568 1.7568 1.8827 1.8827 1.8853 1.8853 2.1557 2.1557 2.8213 2.8213 2.8642 2.8642 3.3546 3.3546 3.6150 3.6150 3.7089 3.7089 4.4249 4.4249 4.5646 4.5646 4.6195 4.6195 10.7728 10.7728 11.1105 11.1105 12.0989 12.0989 12.4711 12.4711 12.6718 12.6718 k = 0.0000 0.1282-0.0000 ( 4789 PWs) bands (ev): -27.2366 -27.2366 -27.1961 -27.1961 -16.2827 -16.2827 -15.9428 -15.9428 -10.0584 -10.0584 -9.9465 -9.9465 -9.0770 -9.0770 -8.9522 -8.9522 -8.8176 -8.8176 -8.7686 -8.7686 -7.7753 -7.7753 -7.6258 -7.6258 1.7565 1.7565 1.8884 1.8884 1.8916 1.8916 2.1563 2.1563 2.8113 2.8113 2.8536 2.8536 3.3675 3.3675 3.6093 3.6093 3.7087 3.7087 4.4005 4.4005 4.5495 4.5495 4.6124 4.6124 10.8269 10.8269 11.1757 11.1757 12.1093 12.1093 12.4713 12.4713 12.6982 12.6982 k = 0.0000 0.1410-0.0000 ( 4785 PWs) bands (ev): -27.2358 -27.2358 -27.1960 -27.1960 -16.2814 -16.2814 -15.9477 -15.9477 -10.0623 -10.0623 -9.9451 -9.9451 -9.0840 -9.0840 -8.9542 -8.9542 -8.8179 -8.8179 -8.7638 -8.7638 -7.7717 -7.7717 -7.6180 -7.6180 1.7564 1.7564 1.8947 1.8947 1.8984 1.8984 2.1567 2.1567 2.8007 2.8007 2.8424 2.8424 3.3800 3.3800 3.6029 3.6029 3.7091 3.7091 4.3738 4.3738 4.5345 4.5345 4.6051 4.6051 10.8859 10.8859 11.2458 11.2458 12.1202 12.1202 12.4649 12.4649 12.7271 12.7271 k = 0.0000 0.1538-0.0000 ( 4781 PWs) bands (ev): -27.2350 -27.2350 -27.1959 -27.1959 -16.2799 -16.2799 -15.9531 -15.9531 -10.0661 -10.0661 -9.9441 -9.9441 -9.0909 -9.0909 -8.9562 -8.9562 -8.8184 -8.8184 -8.7595 -8.7595 -7.7674 -7.7674 -7.6100 -7.6100 1.7563 1.7563 1.9015 1.9015 1.9058 1.9058 2.1569 2.1569 2.7896 2.7896 2.8309 2.8309 3.3917 3.3917 3.5959 3.5959 3.7102 3.7102 4.3456 4.3456 4.5194 4.5194 4.5975 4.5975 10.9495 10.9495 11.3202 11.3202 12.1314 12.1314 12.4516 12.4516 12.7583 12.7583 k = 0.0000 0.1667-0.0000 ( 4767 PWs) bands (ev): -27.2341 -27.2341 -27.1959 -27.1959 -16.2783 -16.2783 -15.9589 -15.9589 -10.0697 -10.0697 -9.9434 -9.9434 -9.0975 -9.0975 -8.9582 -8.9582 -8.8191 -8.8191 -8.7557 -8.7557 -7.7624 -7.7624 -7.6017 -7.6017 1.7564 1.7564 1.9089 1.9089 1.9138 1.9138 2.1567 2.1567 2.7778 2.7778 2.8192 2.8192 3.4023 3.4023 3.5884 3.5884 3.7119 3.7119 4.3169 4.3169 4.5040 4.5040 4.5896 4.5896 11.0175 11.0175 11.3985 11.3985 12.1426 12.1426 12.4319 12.4319 12.7918 12.7918 k = 0.0000 0.1795-0.0000 ( 4767 PWs) bands (ev): -27.2331 -27.2331 -27.1958 -27.1958 -16.2766 -16.2766 -15.9651 -15.9651 -10.0730 -10.0730 -9.9431 -9.9431 -9.1036 -9.1036 -8.9601 -8.9601 -8.8200 -8.8200 -8.7526 -8.7526 -7.7568 -7.7568 -7.5933 -7.5933 1.7566 1.7566 1.9168 1.9168 1.9224 1.9224 2.1561 2.1561 2.7653 2.7653 2.8073 2.8073 3.4114 3.4114 3.5806 3.5806 3.7143 3.7143 4.2884 4.2884 4.4881 4.4881 4.5816 4.5816 11.0895 11.0895 11.4798 11.4798 12.1537 12.1537 12.4071 12.4071 12.8249 12.8249 k = 0.0000 0.1923-0.0000 ( 4767 PWs) bands (ev): -27.2321 -27.2321 -27.1958 -27.1958 -16.2747 -16.2747 -15.9715 -15.9715 -10.0761 -10.0761 -9.9431 -9.9431 -9.1093 -9.1093 -8.9621 -8.9621 -8.8212 -8.8212 -8.7503 -8.7503 -7.7505 -7.7505 -7.5847 -7.5847 1.7571 1.7571 1.9252 1.9252 1.9315 1.9315 2.1550 2.1550 2.7519 2.7519 2.7956 2.7956 3.4187 3.4187 3.5725 3.5725 3.7173 3.7173 4.2610 4.2610 4.4716 4.4716 4.5734 4.5734 11.1652 11.1652 11.5635 11.5635 12.1642 12.1642 12.3787 12.3787 12.7784 12.7784 k = 0.0000 0.2051-0.0000 ( 4759 PWs) bands (ev): -27.2310 -27.2310 -27.1958 -27.1958 -16.2726 -16.2726 -15.9783 -15.9783 -10.0789 -10.0789 -9.9435 -9.9435 -9.1145 -9.1145 -8.9640 -8.9640 -8.8225 -8.8225 -8.7486 -8.7486 -7.7436 -7.7436 -7.5762 -7.5762 1.7578 1.7578 1.9341 1.9341 1.9412 1.9412 2.1534 2.1534 2.7375 2.7375 2.7841 2.7841 3.4238 3.4238 3.5642 3.5642 3.7208 3.7208 4.2354 4.2354 4.4546 4.4546 4.5650 4.5650 11.2443 11.2443 11.6487 11.6487 12.1739 12.1739 12.3482 12.3482 12.7196 12.7196 k = 0.0000 0.2179-0.0000 ( 4761 PWs) bands (ev): -27.2299 -27.2299 -27.1958 -27.1958 -16.2703 -16.2703 -15.9854 -15.9854 -10.0814 -10.0814 -9.9444 -9.9444 -9.1192 -9.1192 -8.9660 -8.9660 -8.8240 -8.8240 -8.7478 -8.7478 -7.7360 -7.7360 -7.5677 -7.5677 1.7588 1.7588 1.9436 1.9436 1.9514 1.9514 2.1511 2.1511 2.7221 2.7221 2.7728 2.7728 3.4267 3.4267 3.5558 3.5558 3.7250 3.7250 4.2124 4.2124 4.4370 4.4370 4.5564 4.5564 11.3262 11.3262 11.7341 11.7341 12.1821 12.1821 12.3171 12.3171 12.6636 12.6636 k = 0.0000 0.2308-0.0000 ( 4750 PWs) bands (ev): -27.2288 -27.2288 -27.1958 -27.1958 -16.2678 -16.2678 -15.9928 -15.9928 -10.0835 -10.0835 -9.9455 -9.9455 -9.1232 -9.1232 -8.9679 -8.9679 -8.8257 -8.8257 -8.7476 -8.7476 -7.7277 -7.7277 -7.5594 -7.5594 1.7601 1.7601 1.9536 1.9536 1.9623 1.9623 2.1482 2.1482 2.7058 2.7058 2.7615 2.7615 3.4270 3.4270 3.5473 3.5473 3.7297 3.7297 4.1925 4.1925 4.4187 4.4187 4.5476 4.5476 11.4105 11.4105 11.8181 11.8181 12.1883 12.1883 12.2873 12.2873 12.6116 12.6116 k = 0.0000 0.2436-0.0000 ( 4754 PWs) bands (ev): -27.2276 -27.2276 -27.1958 -27.1958 -16.2652 -16.2652 -16.0004 -16.0004 -10.0852 -10.0852 -9.9471 -9.9471 -9.1265 -9.1265 -8.9700 -8.9700 -8.8275 -8.8275 -8.7482 -8.7482 -7.7189 -7.7189 -7.5513 -7.5513 1.7618 1.7618 1.9641 1.9641 1.9736 1.9736 2.1447 2.1447 2.6886 2.6886 2.7500 2.7500 3.4249 3.4249 3.5388 3.5388 3.7350 3.7350 4.1761 4.1761 4.4000 4.4000 4.5387 4.5387 11.4965 11.4965 11.8977 11.8977 12.1916 12.1916 12.2615 12.2615 12.5649 12.5649 k = 0.0000 0.2564-0.0000 ( 4754 PWs) bands (ev): -27.2264 -27.2264 -27.1959 -27.1959 -16.2623 -16.2623 -16.0082 -16.0082 -10.0865 -10.0865 -9.9491 -9.9491 -9.1292 -9.1292 -8.9721 -8.9721 -8.8294 -8.8294 -8.7496 -8.7496 -7.7096 -7.7096 -7.5435 -7.5435 1.7639 1.7639 1.9752 1.9752 1.9855 1.9855 2.1404 2.1404 2.6706 2.6706 2.7383 2.7383 3.4203 3.4203 3.5304 3.5304 3.7410 3.7410 4.1634 4.1634 4.3807 4.3807 4.5295 4.5295 11.5831 11.5831 11.9669 11.9669 12.1918 12.1918 12.2447 12.2447 12.5250 12.5250 k = 0.0000 0.2692-0.0000 ( 4748 PWs) bands (ev): -27.2252 -27.2252 -27.1959 -27.1959 -16.2593 -16.2593 -16.0162 -16.0162 -10.0874 -10.0874 -9.9515 -9.9515 -9.1312 -9.1312 -8.9743 -8.9743 -8.8314 -8.8314 -8.7516 -8.7516 -7.6997 -7.6997 -7.5361 -7.5361 1.7665 1.7665 1.9867 1.9867 1.9980 1.9980 2.1354 2.1354 2.6519 2.6519 2.7259 2.7259 3.4136 3.4136 3.5220 3.5220 3.7475 3.7475 4.1546 4.1546 4.3610 4.3610 4.5202 4.5202 11.6689 11.6689 12.0148 12.0148 12.1900 12.1900 12.2458 12.2458 12.4934 12.4934 k = 0.0000 0.2821-0.0000 ( 4758 PWs) bands (ev): -27.2240 -27.2240 -27.1961 -27.1961 -16.2560 -16.2560 -16.0243 -16.0243 -10.0879 -10.0879 -9.9542 -9.9542 -9.1325 -9.1325 -8.9767 -8.9767 -8.8335 -8.8335 -8.7542 -8.7542 -7.6894 -7.6894 -7.5291 -7.5291 1.7696 1.7696 1.9987 1.9987 2.0110 2.0110 2.1296 2.1296 2.6326 2.6326 2.7128 2.7128 3.4052 3.4052 3.5138 3.5138 3.7547 3.7547 4.1493 4.1493 4.3410 4.3410 4.5107 4.5107 11.7515 11.7515 12.0312 12.0312 12.1866 12.1866 12.2749 12.2749 12.4711 12.4711 k = 0.0000 0.2949-0.0000 ( 4750 PWs) bands (ev): -27.2227 -27.2227 -27.1962 -27.1962 -16.2525 -16.2525 -16.0326 -16.0326 -10.0880 -10.0880 -9.9573 -9.9573 -9.1331 -9.1331 -8.9793 -8.9793 -8.8355 -8.8355 -8.7574 -8.7574 -7.6788 -7.6788 -7.5226 -7.5226 1.7732 1.7732 2.0111 2.0111 2.0245 2.0245 2.1231 2.1231 2.6129 2.6129 2.6985 2.6985 3.3957 3.3957 3.5058 3.5058 3.7626 3.7626 4.1475 4.1475 4.3207 4.3207 4.5011 4.5011 11.8261 11.8261 12.0229 12.0229 12.1846 12.1846 12.3252 12.3252 12.4581 12.4581 k = 0.0000 0.3077-0.0000 ( 4760 PWs) bands (ev): -27.2215 -27.2215 -27.1964 -27.1964 -16.2488 -16.2488 -16.0411 -16.0411 -10.0877 -10.0877 -9.9608 -9.9608 -9.1330 -9.1330 -8.9821 -8.9821 -8.8374 -8.8374 -8.7611 -8.7611 -7.6678 -7.6678 -7.5166 -7.5166 1.7775 1.7775 2.0239 2.0239 2.0386 2.0386 2.1159 2.1159 2.5928 2.5928 2.6831 2.6831 3.3856 3.3856 3.4978 3.4978 3.7711 3.7711 4.1486 4.1486 4.3003 4.3003 4.4912 4.4912 11.8846 11.8846 12.0027 12.0027 12.1928 12.1928 12.3816 12.3816 12.4539 12.4539 k = 0.0000 0.3205-0.0000 ( 4760 PWs) bands (ev): -27.2202 -27.2202 -27.1966 -27.1966 -16.2449 -16.2449 -16.0496 -16.0496 -10.0869 -10.0869 -9.9646 -9.9646 -9.1322 -9.1322 -8.9852 -8.9852 -8.8392 -8.8392 -8.7652 -8.7652 -7.6567 -7.6567 -7.5113 -7.5113 1.7825 1.7825 2.0369 2.0369 2.0533 2.0533 2.1083 2.1083 2.5723 2.5723 2.6662 2.6662 3.3756 3.3756 3.4899 3.4899 3.7804 3.7804 4.1521 4.1521 4.2798 4.2798 4.4813 4.4813 11.9177 11.9177 11.9781 11.9781 12.2212 12.2212 12.4340 12.4340 12.4591 12.4591 k = 0.0000 0.3333-0.0000 ( 4764 PWs) bands (ev): -27.2189 -27.2189 -27.1968 -27.1968 -16.2407 -16.2407 -16.0581 -16.0581 -10.0856 -10.0856 -9.9687 -9.9687 -9.1307 -9.1307 -8.9886 -8.9886 -8.8408 -8.8408 -8.7697 -8.7697 -7.6454 -7.6454 -7.5066 -7.5066 1.7881 1.7881 2.0498 2.0498 2.0685 2.0685 2.1006 2.1006 2.5515 2.5515 2.6479 2.6479 3.3662 3.3662 3.4821 3.4821 3.7903 3.7903 4.1574 4.1574 4.2597 4.2597 4.4711 4.4711 11.9245 11.9245 11.9521 11.9521 12.2697 12.2697 12.4655 12.4655 12.4867 12.4867 k = 0.0000 0.3462-0.0000 ( 4768 PWs) bands (ev): -27.2177 -27.2177 -27.1971 -27.1971 -16.2364 -16.2364 -16.0667 -16.0667 -10.0840 -10.0840 -9.9730 -9.9730 -9.1286 -9.1286 -8.9923 -8.9923 -8.8422 -8.8422 -8.7744 -8.7744 -7.6340 -7.6340 -7.5026 -7.5026 1.7945 1.7945 2.0608 2.0608 2.0841 2.0841 2.0947 2.0947 2.5306 2.5306 2.6280 2.6280 3.3579 3.3579 3.4742 3.4742 3.8010 3.8010 4.1635 4.1635 4.2404 4.2404 4.4609 4.4609 11.9136 11.9136 11.9266 11.9266 12.3249 12.3249 12.4917 12.4917 12.5229 12.5229 k = 0.0000 0.3590-0.0000 ( 4764 PWs) bands (ev): -27.2164 -27.2164 -27.1975 -27.1975 -16.2317 -16.2317 -16.0754 -16.0754 -10.0819 -10.0819 -9.9777 -9.9777 -9.1258 -9.1258 -8.9964 -8.9964 -8.8434 -8.8434 -8.7794 -8.7794 -7.6226 -7.6226 -7.4994 -7.4994 1.8016 1.8016 2.0648 2.0648 2.0945 2.0945 2.1015 2.1015 2.5095 2.5095 2.6067 2.6067 3.3511 3.3511 3.4663 3.4663 3.8124 3.8124 4.1684 4.1684 4.2238 4.2238 4.4505 4.4505 11.8938 11.8938 11.9022 11.9022 12.3709 12.3709 12.5347 12.5347 12.5519 12.5519 k = 0.0000 0.3718-0.0000 ( 4768 PWs) bands (ev): -27.2152 -27.2152 -27.1979 -27.1979 -16.2268 -16.2268 -16.0840 -16.0840 -10.0795 -10.0795 -9.9825 -9.9825 -9.1224 -9.1224 -9.0009 -9.0009 -8.8442 -8.8442 -8.7845 -8.7845 -7.6113 -7.6113 -7.4969 -7.4969 1.8095 1.8095 2.0590 2.0590 2.1049 2.1049 2.1183 2.1183 2.4884 2.4884 2.5841 2.5841 3.3458 3.3458 3.4583 3.4583 3.8245 3.8245 4.1674 4.1674 4.2143 4.2143 4.4399 4.4399 11.8711 11.8711 11.8784 11.8784 12.4015 12.4015 12.5662 12.5662 12.6033 12.6033 k = 0.0000 0.3846-0.0000 ( 4758 PWs) bands (ev): -27.2140 -27.2140 -27.1983 -27.1983 -16.2217 -16.2217 -16.0925 -16.0925 -10.0766 -10.0766 -9.9876 -9.9876 -9.1184 -9.1184 -9.0057 -9.0057 -8.8446 -8.8446 -8.7897 -8.7897 -7.6001 -7.6001 -7.4953 -7.4953 1.8182 1.8182 2.0490 2.0490 2.1192 2.1192 2.1361 2.1361 2.4672 2.4672 2.5603 2.5603 3.3424 3.3424 3.4502 3.4502 3.8374 3.8374 4.1564 4.1564 4.2157 4.2157 4.4292 4.4292 11.8487 11.8487 11.8552 11.8552 12.4216 12.4216 12.5773 12.5773 12.6791 12.6791 k = 0.0000 0.3974-0.0000 ( 4760 PWs) bands (ev): -27.2128 -27.2128 -27.1988 -27.1988 -16.2164 -16.2164 -16.1010 -16.1010 -10.0734 -10.0734 -9.9928 -9.9928 -9.1138 -9.1138 -9.0110 -9.0110 -8.8447 -8.8447 -8.7948 -8.7948 -7.5892 -7.5892 -7.4945 -7.4945 1.8277 1.8277 2.0374 2.0374 2.1349 2.1349 2.1545 2.1545 2.4460 2.4460 2.5356 2.5356 3.3406 3.3406 3.4420 3.4420 3.8509 3.8509 4.1393 4.1393 4.2239 4.2239 4.4183 4.4183 11.8277 11.8277 11.8332 11.8332 12.4366 12.4366 12.5815 12.5815 12.7598 12.7598 k = 0.0000 0.4103-0.0000 ( 4756 PWs) bands (ev): -27.2116 -27.2116 -27.1993 -27.1993 -16.2107 -16.2107 -16.1095 -16.1095 -10.0698 -10.0698 -9.9982 -9.9982 -9.1088 -9.1088 -9.0167 -9.0167 -8.8444 -8.8444 -8.8000 -8.8000 -7.5786 -7.5786 -7.4945 -7.4945 1.8379 1.8379 2.0248 2.0248 2.1515 2.1515 2.1736 2.1736 2.4249 2.4249 2.5101 2.5101 3.3406 3.3406 3.4336 3.4336 3.8651 3.8651 4.1200 4.1200 4.2349 4.2349 4.4073 4.4073 11.8083 11.8083 11.8131 11.8131 12.4492 12.4492 12.5809 12.5809 12.8404 12.8404 k = 0.0000 0.4231-0.0000 ( 4756 PWs) bands (ev): -27.2104 -27.2104 -27.1999 -27.1999 -16.2049 -16.2049 -16.1178 -16.1178 -10.0659 -10.0659 -10.0037 -10.0037 -9.1033 -9.1033 -9.0227 -9.0227 -8.8437 -8.8437 -8.8050 -8.8050 -7.5684 -7.5684 -7.4954 -7.4954 1.8489 1.8489 2.0116 2.0116 2.1686 2.1686 2.1935 2.1935 2.4040 2.4040 2.4841 2.4841 3.3421 3.3421 3.4251 3.4251 3.8800 3.8800 4.1001 4.1001 4.2470 4.2470 4.3961 4.3961 11.7911 11.7911 11.7952 11.7952 12.4606 12.4606 12.5767 12.5767 12.9159 12.9159 k = 0.0000 0.4359-0.0000 ( 4756 PWs) bands (ev): -27.2093 -27.2093 -27.2005 -27.2005 -16.1988 -16.1988 -16.1260 -16.1260 -10.0617 -10.0617 -10.0092 -10.0092 -9.0974 -9.0974 -9.0290 -9.0290 -8.8425 -8.8425 -8.8099 -8.8099 -7.5586 -7.5586 -7.4971 -7.4971 1.8605 1.8605 1.9980 1.9980 2.1862 2.1862 2.2140 2.2140 2.3832 2.3832 2.4579 2.4579 3.3450 3.3450 3.4166 3.4166 3.8956 3.8956 4.0799 4.0799 4.2597 4.2597 4.3846 4.3846 11.7762 11.7762 11.7798 11.7798 12.4714 12.4714 12.5702 12.5702 12.9669 12.9669 k = 0.0000 0.4487-0.0000 ( 4750 PWs) bands (ev): -27.2082 -27.2082 -27.2011 -27.2011 -16.1925 -16.1925 -16.1341 -16.1341 -10.0572 -10.0572 -10.0148 -10.0148 -9.0911 -9.0911 -9.0356 -9.0356 -8.8409 -8.8409 -8.8145 -8.8145 -7.5494 -7.5494 -7.4998 -7.4998 1.8728 1.8728 1.9840 1.9840 2.2042 2.2042 2.2351 2.2351 2.3626 2.3626 2.4317 2.4317 3.3492 3.3492 3.4080 3.4080 3.9117 3.9117 4.0598 4.0598 4.2727 4.2727 4.3730 4.3730 11.7638 11.7638 11.7670 11.7670 12.4818 12.4818 12.5620 12.5620 12.9921 12.9921 k = 0.0000 0.4615-0.0000 ( 4748 PWs) bands (ev): -27.2072 -27.2072 -27.2019 -27.2019 -16.1859 -16.1859 -16.1421 -16.1421 -10.0525 -10.0525 -10.0205 -10.0205 -9.0846 -9.0846 -9.0425 -9.0425 -8.8389 -8.8389 -8.8190 -8.8190 -7.5407 -7.5407 -7.5032 -7.5032 1.8857 1.8857 1.9698 1.9698 2.2226 2.2226 2.2568 2.2568 2.3425 2.3425 2.4057 2.4057 3.3545 3.3545 3.3995 3.3995 3.9285 3.9285 4.0399 4.0399 4.2857 4.2857 4.3612 4.3612 11.7542 11.7542 11.7568 11.7568 12.4921 12.4921 12.5529 12.5529 13.0149 13.0149 k = 0.0000 0.4744-0.0000 ( 4750 PWs) bands (ev): -27.2062 -27.2062 -27.2026 -27.2026 -16.1791 -16.1791 -16.1499 -16.1499 -10.0475 -10.0475 -10.0261 -10.0261 -9.0778 -9.0778 -9.0495 -9.0495 -8.8365 -8.8365 -8.8231 -8.8231 -7.5326 -7.5326 -7.5075 -7.5075 1.8990 1.8990 1.9554 1.9554 2.2412 2.2412 2.2784 2.2784 2.3234 2.3234 2.3800 2.3800 3.3606 3.3606 3.3911 3.3911 3.9459 3.9459 4.0203 4.0203 4.2987 4.2987 4.3491 4.3491 11.7474 11.7474 11.7492 11.7492 12.5023 12.5023 12.5431 12.5431 13.0390 13.0390 k = 0.0000 0.4872-0.0000 ( 4758 PWs) bands (ev): -27.2052 -27.2052 -27.2035 -27.2035 -16.1721 -16.1721 -16.1575 -16.1575 -10.0424 -10.0424 -10.0316 -10.0316 -9.0708 -9.0708 -9.0566 -9.0566 -8.8337 -8.8337 -8.8270 -8.8270 -7.5252 -7.5252 -7.5127 -7.5127 1.9128 1.9128 1.9411 1.9411 2.2601 2.2601 2.2918 2.2918 2.3135 2.3135 2.3550 2.3550 3.3675 3.3675 3.3829 3.3829 3.9637 3.9637 4.0010 4.0010 4.3116 4.3116 4.3368 4.3368 11.7435 11.7435 11.7445 11.7445 12.5126 12.5126 12.5330 12.5330 13.0650 13.0650 k = 0.0000 0.5000-0.0000 ( 4758 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1649 -16.1649 -16.1649 -16.1649 -10.0370 -10.0370 -10.0370 -10.0370 -9.0637 -9.0637 -9.0637 -9.0637 -8.8305 -8.8305 -8.8305 -8.8305 -7.5186 -7.5186 -7.5186 -7.5186 1.9268 1.9268 1.9268 1.9268 2.2786 2.2786 2.2786 2.2786 2.3312 2.3312 2.3312 2.3312 3.3750 3.3750 3.3750 3.3750 3.9821 3.9821 3.9821 3.9821 4.3243 4.3243 4.3243 4.3243 11.7426 11.7426 11.7426 11.7426 12.5228 12.5228 12.5228 12.5228 13.0930 13.0930 k = 0.0000 0.5000-0.0000 ( 4758 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1649 -16.1649 -16.1649 -16.1649 -10.0370 -10.0370 -10.0370 -10.0370 -9.0637 -9.0637 -9.0637 -9.0637 -8.8305 -8.8305 -8.8305 -8.8305 -7.5186 -7.5186 -7.5186 -7.5186 1.9268 1.9268 1.9268 1.9268 2.2786 2.2786 2.2786 2.2786 2.3312 2.3312 2.3312 2.3312 3.3750 3.3750 3.3750 3.3750 3.9821 3.9821 3.9821 3.9821 4.3243 4.3243 4.3243 4.3243 11.7426 11.7426 11.7426 11.7426 12.5228 12.5228 12.5228 12.5228 13.0930 13.0930 k = 0.0128 0.5000-0.0000 ( 4754 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1652 -16.1652 -16.1648 -16.1648 -10.0400 -10.0400 -10.0340 -10.0340 -9.0675 -9.0675 -9.0595 -9.0595 -8.8380 -8.8380 -8.8231 -8.8231 -7.5191 -7.5191 -7.5188 -7.5188 1.9272 1.9272 1.9280 1.9280 2.2582 2.2582 2.2754 2.2754 2.3348 2.3348 2.3513 2.3513 3.3717 3.3717 3.3751 3.3751 3.9779 3.9779 3.9871 3.9871 4.3220 4.3220 4.3271 4.3271 11.7436 11.7436 11.7446 11.7446 12.5222 12.5222 12.5232 12.5232 13.0919 13.0919 k = 0.0256 0.5000-0.0000 ( 4746 PWs) bands (ev): -27.2042 -27.2042 -27.2042 -27.2042 -16.1656 -16.1656 -16.1649 -16.1649 -10.0428 -10.0428 -10.0310 -10.0310 -9.0708 -9.0708 -9.0549 -9.0549 -8.8456 -8.8456 -8.8158 -8.8158 -7.5203 -7.5203 -7.5197 -7.5197 1.9291 1.9291 1.9308 1.9308 2.2320 2.2320 2.2531 2.2531 2.3577 2.3577 2.3776 2.3776 3.3654 3.3654 3.3721 3.3721 3.9743 3.9743 3.9925 3.9925 4.3204 4.3204 4.3305 4.3305 11.7475 11.7475 11.7496 11.7496 12.5213 12.5213 12.5235 12.5235 13.0909 13.0909 k = 0.0385 0.5000-0.0000 ( 4750 PWs) bands (ev): -27.2041 -27.2041 -27.2041 -27.2041 -16.1661 -16.1661 -16.1651 -16.1651 -10.0455 -10.0455 -10.0278 -10.0278 -9.0736 -9.0736 -9.0500 -9.0500 -8.8532 -8.8532 -8.8088 -8.8088 -7.5222 -7.5222 -7.5213 -7.5213 1.9326 1.9326 1.9352 1.9352 2.2046 2.2046 2.2270 2.2270 2.3847 2.3847 2.4052 2.4052 3.3563 3.3563 3.3660 3.3660 3.9714 3.9714 3.9982 3.9982 4.3193 4.3193 4.3342 4.3342 11.7544 11.7544 11.7575 11.7575 12.5203 12.5203 12.5235 12.5235 13.0903 13.0903 k = 0.0513 0.5000-0.0000 ( 4748 PWs) bands (ev): -27.2040 -27.2040 -27.2040 -27.2040 -16.1668 -16.1668 -16.1655 -16.1655 -10.0481 -10.0481 -10.0247 -10.0247 -9.0760 -9.0760 -9.0447 -9.0447 -8.8608 -8.8608 -8.8020 -8.8020 -7.5247 -7.5247 -7.5236 -7.5236 1.9376 1.9376 1.9410 1.9410 2.1771 2.1771 2.2001 2.2001 2.4127 2.4127 2.4332 2.4332 3.3445 3.3445 3.3570 3.3570 3.9693 3.9693 4.0040 4.0040 4.3189 4.3189 4.3384 4.3384 11.7642 11.7642 11.7683 11.7683 12.5191 12.5191 12.5234 12.5234 13.0903 13.0903 k = 0.0641 0.5000-0.0000 ( 4756 PWs) bands (ev): -27.2038 -27.2038 -27.2038 -27.2038 -16.1677 -16.1677 -16.1661 -16.1661 -10.0505 -10.0505 -10.0215 -10.0215 -9.0779 -9.0779 -9.0391 -9.0391 -8.8683 -8.8683 -8.7955 -8.7955 -7.5280 -7.5280 -7.5266 -7.5266 1.9442 1.9442 1.9483 1.9483 2.1498 2.1498 2.1733 2.1733 2.4409 2.4409 2.4612 2.4612 3.3304 3.3304 3.3452 3.3452 3.9678 3.9678 4.0097 4.0097 4.3192 4.3192 4.3428 4.3428 11.7768 11.7768 11.7818 11.7818 12.5178 12.5178 12.5232 12.5232 13.0913 13.0913 k = 0.0769 0.5000-0.0000 ( 4760 PWs) bands (ev): -27.2036 -27.2036 -27.2036 -27.2036 -16.1687 -16.1687 -16.1668 -16.1668 -10.0528 -10.0528 -10.0183 -10.0183 -9.0792 -9.0792 -9.0332 -9.0332 -8.8757 -8.8757 -8.7892 -8.7892 -7.5319 -7.5319 -7.5302 -7.5302 1.9523 1.9523 1.9569 1.9569 2.1229 2.1229 2.1468 2.1468 2.4691 2.4691 2.4891 2.4891 3.3141 3.3141 3.3308 3.3308 3.9668 3.9668 4.0151 4.0151 4.3200 4.3200 4.3475 4.3475 11.7921 11.7921 11.7980 11.7980 12.5164 12.5164 12.5229 12.5229 13.0936 13.0936 k = 0.0897 0.5000-0.0000 ( 4764 PWs) bands (ev): -27.2033 -27.2033 -27.2033 -27.2033 -16.1699 -16.1699 -16.1676 -16.1676 -10.0550 -10.0550 -10.0151 -10.0151 -9.0801 -9.0801 -9.0271 -9.0271 -8.8830 -8.8830 -8.7833 -8.7833 -7.5364 -7.5364 -7.5346 -7.5346 1.9617 1.9617 1.9667 1.9667 2.0965 2.0965 2.1210 2.1210 2.4971 2.4971 2.5168 2.5168 3.2959 3.2959 3.3142 3.3142 3.9661 3.9661 4.0200 4.0200 4.3214 4.3214 4.3522 4.3522 11.8100 11.8100 11.8167 11.8167 12.5149 12.5149 12.5226 12.5226 13.0973 13.0973 k = 0.1026 0.5000-0.0000 ( 4760 PWs) bands (ev): -27.2030 -27.2030 -27.2030 -27.2030 -16.1712 -16.1712 -16.1686 -16.1686 -10.0569 -10.0569 -10.0119 -10.0119 -9.0804 -9.0804 -9.0209 -9.0209 -8.8899 -8.8899 -8.7778 -8.7778 -7.5416 -7.5416 -7.5395 -7.5395 1.9723 1.9723 1.9774 1.9774 2.0709 2.0709 2.0963 2.0963 2.5248 2.5248 2.5441 2.5441 3.2762 3.2762 3.2956 3.2956 3.9657 3.9657 4.0242 4.0242 4.3233 4.3233 4.3570 4.3570 11.8303 11.8303 11.8378 11.8378 12.5134 12.5134 12.5223 12.5223 13.1030 13.1030 k = 0.1154 0.5000-0.0000 ( 4766 PWs) bands (ev): -27.2026 -27.2026 -27.2026 -27.2026 -16.1726 -16.1726 -16.1698 -16.1698 -10.0587 -10.0587 -10.0088 -10.0088 -9.0801 -9.0801 -9.0145 -9.0145 -8.8966 -8.8966 -8.7726 -8.7726 -7.5474 -7.5474 -7.5451 -7.5451 1.9836 1.9836 1.9881 1.9881 2.0467 2.0467 2.0733 2.0733 2.5520 2.5520 2.5710 2.5710 3.2551 3.2551 3.2753 3.2753 3.9654 3.9654 4.0276 4.0276 4.3257 4.3257 4.3616 4.3616 11.8529 11.8529 11.8610 11.8610 12.5120 12.5120 12.5220 12.5220 13.1106 13.1106 k = 0.1282 0.5000-0.0000 ( 4770 PWs) bands (ev): -27.2022 -27.2022 -27.2022 -27.2022 -16.1741 -16.1741 -16.1710 -16.1710 -10.0603 -10.0603 -10.0058 -10.0058 -9.0794 -9.0794 -9.0080 -9.0080 -8.9029 -8.9029 -8.7678 -8.7678 -7.5538 -7.5538 -7.5513 -7.5513 1.9927 1.9927 1.9963 1.9963 2.0266 2.0266 2.0548 2.0548 2.5787 2.5787 2.5974 2.5974 3.2329 3.2329 3.2536 3.2536 3.9651 3.9651 4.0302 4.0302 4.3283 4.3283 4.3661 4.3661 11.8776 11.8776 11.8863 11.8863 12.5107 12.5107 12.5218 12.5218 13.1206 13.1206 k = 0.1410 0.5000-0.0000 ( 4778 PWs) bands (ev): -27.2018 -27.2018 -27.2018 -27.2018 -16.1757 -16.1757 -16.1724 -16.1724 -10.0617 -10.0617 -10.0029 -10.0029 -9.0781 -9.0781 -9.0016 -9.0016 -8.9086 -8.9086 -8.7635 -8.7635 -7.5607 -7.5607 -7.5580 -7.5580 1.9866 1.9866 1.9950 1.9950 2.0239 2.0239 2.0477 2.0477 2.6049 2.6049 2.6232 2.6232 3.2099 3.2099 3.2309 3.2309 3.9647 3.9647 4.0319 4.0319 4.3311 4.3311 4.3703 4.3703 11.9042 11.9042 11.9135 11.9135 12.5095 12.5095 12.5217 12.5217 13.1330 13.1330 k = 0.1538 0.5000-0.0000 ( 4786 PWs) bands (ev): -27.2014 -27.2014 -27.2014 -27.2014 -16.1774 -16.1774 -16.1739 -16.1739 -10.0629 -10.0629 -10.0000 -10.0000 -9.0763 -9.0763 -8.9954 -8.9954 -8.9138 -8.9138 -8.7596 -8.7596 -7.5681 -7.5681 -7.5653 -7.5653 1.9670 1.9670 1.9812 1.9812 2.0365 2.0365 2.0551 2.0551 2.6305 2.6305 2.6484 2.6484 3.1863 3.1863 3.2073 3.2073 3.9640 3.9640 4.0328 4.0328 4.3339 4.3339 4.3741 4.3741 11.9327 11.9327 11.9423 11.9423 12.5084 12.5084 12.5217 12.5217 13.1480 13.1480 k = 0.1667 0.5000-0.0000 ( 4788 PWs) bands (ev): -27.2009 -27.2009 -27.2009 -27.2009 -16.1792 -16.1792 -16.1755 -16.1755 -10.0639 -10.0639 -9.9973 -9.9973 -9.0740 -9.0740 -8.9896 -8.9896 -8.9180 -8.9180 -8.7562 -8.7562 -7.5760 -7.5760 -7.5731 -7.5731 1.9454 1.9454 1.9620 1.9620 2.0531 2.0531 2.0696 2.0696 2.6553 2.6553 2.6729 2.6729 3.1624 3.1624 3.1831 3.1831 3.9631 3.9631 4.0327 4.0327 4.3366 4.3366 4.3774 4.3774 11.9627 11.9627 11.9726 11.9726 12.5077 12.5077 12.5219 12.5219 13.1658 13.1658 k = 0.1795 0.5000-0.0000 ( 4790 PWs) bands (ev): -27.2005 -27.2005 -27.2005 -27.2005 -16.1810 -16.1810 -16.1772 -16.1772 -10.0647 -10.0647 -9.9948 -9.9948 -9.0712 -9.0712 -8.9843 -8.9843 -8.9212 -8.9212 -8.7531 -8.7531 -7.5844 -7.5844 -7.5813 -7.5813 1.9241 1.9241 1.9415 1.9415 2.0714 2.0714 2.0872 2.0872 2.6794 2.6794 2.6967 2.6967 3.1382 3.1382 3.1586 3.1586 3.9618 3.9618 4.0318 4.0318 4.3392 4.3392 4.3801 4.3801 11.9941 11.9941 12.0042 12.0042 12.5073 12.5073 12.5223 12.5223 13.1864 13.1864 k = 0.1923 0.5000-0.0000 ( 4790 PWs) bands (ev): -27.1999 -27.1999 -27.1999 -27.1999 -16.1830 -16.1830 -16.1790 -16.1790 -10.0652 -10.0652 -9.9924 -9.9924 -9.0680 -9.0680 -8.9800 -8.9800 -8.9230 -8.9230 -8.7506 -8.7506 -7.5932 -7.5932 -7.5900 -7.5900 1.9033 1.9033 1.9211 1.9211 2.0909 2.0909 2.1064 2.1064 2.7027 2.7027 2.7197 2.7197 3.1140 3.1140 3.1339 3.1339 3.9602 3.9602 4.0301 4.0301 4.3413 4.3413 4.3823 4.3823 12.0268 12.0268 12.0369 12.0369 12.5074 12.5074 12.5231 12.5231 13.2099 13.2099 k = 0.2051 0.5000-0.0000 ( 4794 PWs) bands (ev): -27.1994 -27.1994 -27.1994 -27.1994 -16.1849 -16.1849 -16.1809 -16.1809 -10.0655 -10.0655 -9.9903 -9.9903 -9.0643 -9.0643 -8.9770 -8.9770 -8.9230 -8.9230 -8.7485 -8.7485 -7.6023 -7.6023 -7.5991 -7.5991 1.8833 1.8833 1.9012 1.9012 2.1114 2.1114 2.1268 2.1268 2.7251 2.7251 2.7418 2.7418 3.0900 3.0900 3.1093 3.1093 3.9583 3.9583 4.0277 4.0277 4.3431 4.3431 4.3838 4.3838 12.0606 12.0606 12.0706 12.0706 12.5080 12.5080 12.5243 12.5243 13.2361 13.2361 k = 0.2179 0.5000-0.0000 ( 4790 PWs) bands (ev): -27.1989 -27.1989 -27.1989 -27.1989 -16.1869 -16.1869 -16.1828 -16.1828 -10.0655 -10.0655 -9.9883 -9.9883 -9.0603 -9.0603 -8.9753 -8.9753 -8.9211 -8.9211 -8.7468 -8.7468 -7.6118 -7.6118 -7.6085 -7.6085 1.8641 1.8641 1.8818 1.8818 2.1327 2.1327 2.1482 2.1482 2.7466 2.7466 2.7631 2.7631 3.0664 3.0664 3.0850 3.0850 3.9561 3.9561 4.0247 4.0247 4.3443 4.3443 4.3845 4.3845 12.0952 12.0952 12.1051 12.1051 12.5094 12.5094 12.5260 12.5260 13.2650 13.2650 k = 0.2308 0.5000-0.0000 ( 4786 PWs) bands (ev): -27.1983 -27.1983 -27.1983 -27.1983 -16.1889 -16.1889 -16.1848 -16.1848 -10.0653 -10.0653 -9.9865 -9.9865 -9.0559 -9.0559 -8.9750 -8.9750 -8.9175 -8.9175 -8.7456 -8.7456 -7.6215 -7.6215 -7.6182 -7.6182 1.8458 1.8458 1.8632 1.8632 2.1547 2.1547 2.1702 2.1702 2.7671 2.7671 2.7834 2.7834 3.0432 3.0432 3.0610 3.0610 3.9535 3.9535 4.0210 4.0210 4.3449 4.3449 4.3845 4.3845 12.1304 12.1304 12.1402 12.1402 12.5116 12.5116 12.5285 12.5285 13.2964 13.2964 k = 0.2436 0.5000-0.0000 ( 4788 PWs) bands (ev): -27.1978 -27.1978 -27.1978 -27.1978 -16.1910 -16.1910 -16.1868 -16.1868 -10.0648 -10.0648 -9.9851 -9.9851 -9.0512 -9.0512 -8.9756 -8.9756 -8.9125 -8.9125 -8.7448 -8.7448 -7.6314 -7.6314 -7.6281 -7.6281 1.8284 1.8284 1.8454 1.8454 2.1773 2.1773 2.1927 2.1927 2.7866 2.7866 2.8027 2.8027 3.0208 3.0208 3.0377 3.0377 3.9506 3.9506 4.0168 4.0168 4.3449 4.3449 4.3837 4.3837 12.1661 12.1661 12.1757 12.1757 12.5150 12.5150 12.5318 12.5318 13.3302 13.3302 k = 0.2564 0.5000-0.0000 ( 4788 PWs) bands (ev): -27.1973 -27.1973 -27.1972 -27.1972 -16.1930 -16.1930 -16.1888 -16.1888 -10.0641 -10.0641 -9.9838 -9.9838 -9.0463 -9.0463 -8.9767 -8.9767 -8.9065 -8.9065 -8.7444 -8.7444 -7.6415 -7.6415 -7.6382 -7.6382 1.8119 1.8119 1.8285 1.8285 2.2002 2.2002 2.2156 2.2156 2.8050 2.8050 2.8209 2.8209 2.9993 2.9993 3.0152 3.0152 3.9475 3.9475 4.0122 4.0122 4.3442 4.3442 4.3821 4.3821 12.2019 12.2019 12.2112 12.2112 12.5197 12.5197 12.5364 12.5364 13.3661 13.3661 k = 0.2692 0.5000-0.0000 ( 4796 PWs) bands (ev): -27.1967 -27.1967 -27.1967 -27.1967 -16.1950 -16.1950 -16.1908 -16.1908 -10.0631 -10.0631 -9.9829 -9.9829 -9.0411 -9.0411 -8.9781 -8.9781 -8.8998 -8.8998 -8.7444 -8.7444 -7.6516 -7.6516 -7.6484 -7.6484 1.7963 1.7963 1.8124 1.8124 2.2234 2.2234 2.2386 2.2386 2.8221 2.8221 2.8380 2.8380 2.9789 2.9789 2.9936 2.9936 3.9442 3.9442 4.0071 4.0071 4.3428 4.3428 4.3797 4.3797 12.2373 12.2373 12.2465 12.2465 12.5261 12.5261 12.5423 12.5423 13.4038 13.4038 k = 0.2821 0.5000-0.0000 ( 4792 PWs) bands (ev): -27.1962 -27.1962 -27.1962 -27.1962 -16.1970 -16.1970 -16.1928 -16.1928 -10.0619 -10.0619 -9.9822 -9.9822 -9.0359 -9.0359 -8.9796 -8.9796 -8.8926 -8.8926 -8.7447 -8.7447 -7.6618 -7.6618 -7.6587 -7.6587 1.7816 1.7816 1.7971 1.7971 2.2466 2.2466 2.2617 2.2617 2.8379 2.8379 2.8540 2.8540 2.9599 2.9599 2.9732 2.9732 3.9407 3.9407 4.0018 4.0018 4.3407 4.3407 4.3766 4.3766 12.2720 12.2720 12.2811 12.2811 12.5346 12.5346 12.5501 12.5501 13.4430 13.4430 k = 0.2949 0.5000-0.0000 ( 4792 PWs) bands (ev): -27.1956 -27.1956 -27.1956 -27.1956 -16.1989 -16.1989 -16.1949 -16.1949 -10.0604 -10.0604 -9.9818 -9.9818 -9.0305 -9.0305 -8.9809 -8.9809 -8.8852 -8.8852 -8.7454 -8.7454 -7.6720 -7.6720 -7.6689 -7.6689 1.7679 1.7679 1.7828 1.7828 2.2697 2.2697 2.2845 2.2845 2.8519 2.8519 2.8684 2.8684 2.9428 2.9428 2.9543 2.9543 3.9372 3.9372 3.9961 3.9961 4.3380 4.3380 4.3727 4.3727 12.3053 12.3053 12.3145 12.3145 12.5458 12.5458 12.5601 12.5601 13.4836 13.4836 k = 0.3077 0.5000-0.0000 ( 4792 PWs) bands (ev): -27.1951 -27.1951 -27.1951 -27.1951 -16.2007 -16.2007 -16.1968 -16.1968 -10.0587 -10.0587 -9.9818 -9.9818 -9.0252 -9.0252 -8.9821 -8.9821 -8.8776 -8.8776 -8.7464 -8.7464 -7.6820 -7.6820 -7.6791 -7.6791 1.7551 1.7551 1.7693 1.7693 2.2925 2.2925 2.3069 2.3069 2.8632 2.8632 2.8808 2.8808 2.9285 2.9285 2.9376 2.9376 3.9335 3.9335 3.9902 3.9902 4.3348 4.3348 4.3682 4.3682 12.3364 12.3364 12.3459 12.3459 12.5601 12.5601 12.5730 12.5730 13.5251 13.5251 k = 0.3205 0.5000-0.0000 ( 4780 PWs) bands (ev): -27.1946 -27.1946 -27.1946 -27.1946 -16.2025 -16.2025 -16.1988 -16.1988 -10.0568 -10.0568 -9.9820 -9.9820 -9.0198 -9.0198 -8.9830 -8.9830 -8.8700 -8.8700 -8.7476 -8.7476 -7.6919 -7.6919 -7.6891 -7.6891 1.7433 1.7433 1.7567 1.7567 2.3147 2.3147 2.3287 2.3287 2.8700 2.8700 2.8892 2.8892 2.9191 2.9191 2.9252 2.9252 3.9300 3.9300 3.9842 3.9842 4.3311 4.3311 4.3631 4.3631 12.3647 12.3647 12.3746 12.3746 12.5781 12.5781 12.5893 12.5893 13.5673 13.5673 k = 0.3333 0.5000-0.0000 ( 4780 PWs) bands (ev): -27.1941 -27.1941 -27.1941 -27.1941 -16.2043 -16.2043 -16.2006 -16.2006 -10.0546 -10.0546 -9.9826 -9.9826 -9.0147 -9.0147 -8.9837 -8.9837 -8.8624 -8.8624 -8.7491 -8.7491 -7.7016 -7.7016 -7.6989 -7.6989 1.7323 1.7323 1.7450 1.7450 2.3362 2.3362 2.3496 2.3496 2.8695 2.8695 2.8883 2.8883 2.9173 2.9173 2.9224 2.9224 3.9265 3.9265 3.9781 3.9781 4.3269 4.3269 4.3575 4.3575 12.3896 12.3896 12.4000 12.4000 12.6001 12.6001 12.6093 12.6093 13.6099 13.6099 k = 0.3462 0.5000-0.0000 ( 4780 PWs) bands (ev): -27.1936 -27.1936 -27.1936 -27.1936 -16.2059 -16.2059 -16.2024 -16.2024 -10.0522 -10.0522 -9.9834 -9.9834 -9.0096 -9.0096 -8.9841 -8.9841 -8.8549 -8.8549 -8.7509 -8.7509 -7.7109 -7.7109 -7.7084 -7.7084 1.7223 1.7223 1.7341 1.7341 2.3568 2.3568 2.3696 2.3696 2.8632 2.8632 2.8793 2.8793 2.9219 2.9219 2.9280 2.9280 3.9231 3.9231 3.9720 3.9720 4.3225 4.3225 4.3515 4.3515 12.4109 12.4109 12.4217 12.4217 12.6259 12.6259 12.6333 12.6333 13.6525 13.6525 k = 0.3590 0.5000-0.0000 ( 4782 PWs) bands (ev): -27.1932 -27.1932 -27.1932 -27.1932 -16.2074 -16.2074 -16.2042 -16.2042 -10.0496 -10.0496 -9.9846 -9.9846 -9.0049 -9.0049 -8.9843 -8.9843 -8.8476 -8.8476 -8.7528 -8.7528 -7.7198 -7.7198 -7.7175 -7.7175 1.7132 1.7132 1.7241 1.7241 2.3763 2.3763 2.3882 2.3882 2.8548 2.8548 2.8687 2.8687 2.9290 2.9290 2.9359 2.9359 3.9199 3.9199 3.9659 3.9659 4.3178 4.3178 4.3452 4.3452 12.4289 12.4289 12.4398 12.4398 12.6551 12.6551 12.6606 12.6606 13.6949 13.6949 k = 0.3718 0.5000-0.0000 ( 4778 PWs) bands (ev): -27.1928 -27.1928 -27.1928 -27.1928 -16.2088 -16.2088 -16.2058 -16.2058 -10.0468 -10.0468 -9.9860 -9.9860 -9.0004 -9.0004 -8.9842 -8.9842 -8.8404 -8.8404 -8.7549 -8.7549 -7.7283 -7.7283 -7.7262 -7.7262 1.7050 1.7050 1.7150 1.7150 2.3944 2.3944 2.4055 2.4055 2.8467 2.8467 2.8586 2.8586 2.9365 2.9365 2.9437 2.9437 3.9171 3.9171 3.9598 3.9598 4.3131 4.3131 4.3387 4.3387 12.4439 12.4439 12.4548 12.4548 12.6866 12.6866 12.6906 12.6906 13.7368 13.7368 k = 0.3846 0.5000-0.0000 ( 4790 PWs) bands (ev): -27.1924 -27.1924 -27.1924 -27.1924 -16.2101 -16.2101 -16.2073 -16.2073 -10.0439 -10.0439 -9.9877 -9.9877 -8.9963 -8.9963 -8.9839 -8.9839 -8.8334 -8.8334 -8.7571 -8.7571 -7.7362 -7.7362 -7.7343 -7.7343 1.6976 1.6976 1.7068 1.7068 2.4109 2.4109 2.4211 2.4211 2.8395 2.8395 2.8499 2.8499 2.9437 2.9437 2.9507 2.9507 3.9145 3.9145 3.9539 3.9539 4.3085 4.3085 4.3321 4.3321 12.4566 12.4566 12.4671 12.4671 12.7194 12.7194 12.7221 12.7221 13.7779 13.7779 k = 0.3974 0.5000-0.0000 ( 4778 PWs) bands (ev): -27.1921 -27.1921 -27.1920 -27.1920 -16.2113 -16.2113 -16.2088 -16.2088 -10.0408 -10.0408 -9.9897 -9.9897 -8.9926 -8.9926 -8.9835 -8.9835 -8.8267 -8.8267 -8.7595 -8.7595 -7.7435 -7.7435 -7.7418 -7.7418 1.6912 1.6912 1.6994 1.6994 2.4259 2.4259 2.4350 2.4350 2.8337 2.8337 2.8425 2.8425 2.9503 2.9503 2.9569 2.9569 3.9124 3.9124 3.9482 3.9482 4.3040 4.3040 4.3256 4.3256 12.4674 12.4674 12.4772 12.4772 12.7524 12.7524 12.7541 12.7541 13.8179 13.8179 k = 0.4103 0.5000-0.0000 ( 4778 PWs) bands (ev): -27.1917 -27.1917 -27.1917 -27.1917 -16.2123 -16.2123 -16.2101 -16.2101 -10.0375 -10.0375 -9.9920 -9.9920 -8.9893 -8.9893 -8.9829 -8.9829 -8.8202 -8.8202 -8.7620 -8.7620 -7.7501 -7.7501 -7.7486 -7.7486 1.6856 1.6856 1.6928 1.6928 2.4390 2.4390 2.4471 2.4471 2.8291 2.8291 2.8366 2.8366 2.9560 2.9560 2.9622 2.9622 3.9107 3.9107 3.9426 3.9426 4.3000 4.3000 4.3193 4.3193 12.4766 12.4766 12.4856 12.4856 12.7846 12.7846 12.7855 12.7855 13.8565 13.8565 k = 0.4231 0.5000-0.0000 ( 4776 PWs) bands (ev): -27.1915 -27.1915 -27.1915 -27.1915 -16.2131 -16.2131 -16.2112 -16.2112 -10.0342 -10.0342 -9.9944 -9.9944 -8.9865 -8.9865 -8.9822 -8.9822 -8.8141 -8.8141 -8.7647 -8.7647 -7.7560 -7.7560 -7.7547 -7.7547 1.6808 1.6808 1.6870 1.6870 2.4504 2.4504 2.4573 2.4573 2.8259 2.8259 2.8321 2.8321 2.9610 2.9610 2.9666 2.9666 3.9095 3.9095 3.9373 3.9373 4.2963 4.2963 4.3132 4.3132 12.4845 12.4845 12.4925 12.4925 12.8151 12.8151 12.8154 12.8154 13.8933 13.8933 k = 0.4359 0.5000-0.0000 ( 4768 PWs) bands (ev): -27.1912 -27.1912 -27.1912 -27.1912 -16.2139 -16.2139 -16.2122 -16.2122 -10.0307 -10.0307 -9.9971 -9.9971 -8.9842 -8.9842 -8.9815 -8.9815 -8.8083 -8.8083 -8.7675 -8.7675 -7.7611 -7.7611 -7.7600 -7.7600 1.6769 1.6769 1.6821 1.6821 2.4599 2.4599 2.4656 2.4656 2.8238 2.8238 2.8287 2.8287 2.9652 2.9652 2.9700 2.9700 3.9088 3.9088 3.9324 3.9324 4.2933 4.2933 4.3076 4.3076 12.4913 12.4913 12.4981 12.4981 12.8428 12.8428 12.8428 12.8428 13.9278 13.9278 k = 0.4487 0.5000-0.0000 ( 4762 PWs) bands (ev): -27.1910 -27.1910 -27.1910 -27.1910 -16.2144 -16.2144 -16.2131 -16.2131 -10.0272 -10.0272 -10.0000 -10.0000 -8.9823 -8.9823 -8.9808 -8.9808 -8.8028 -8.8028 -8.7704 -8.7704 -7.7653 -7.7653 -7.7644 -7.7644 1.6738 1.6738 1.6780 1.6780 2.4676 2.4676 2.4722 2.4722 2.8226 2.8226 2.8264 2.8264 2.9687 2.9687 2.9726 2.9726 3.9087 3.9087 3.9278 3.9278 4.2909 4.2909 4.3026 4.3026 12.4969 12.4969 12.5025 12.5025 12.8668 12.8668 12.8670 12.8670 13.9595 13.9595 k = 0.4615 0.5000-0.0000 ( 4754 PWs) bands (ev): -27.1909 -27.1909 -27.1909 -27.1909 -16.2148 -16.2148 -16.2138 -16.2138 -10.0237 -10.0237 -10.0031 -10.0031 -8.9809 -8.9809 -8.9801 -8.9801 -8.7977 -8.7977 -8.7736 -8.7736 -7.7685 -7.7685 -7.7679 -7.7679 1.6715 1.6715 1.6746 1.6746 2.4736 2.4736 2.4770 2.4770 2.8220 2.8220 2.8248 2.8248 2.9714 2.9714 2.9745 2.9745 3.9091 3.9091 3.9236 3.9236 4.2894 4.2894 4.2982 4.2982 12.5014 12.5014 12.5057 12.5057 12.8865 12.8865 12.8869 12.8869 13.9876 13.9876 k = 0.4744 0.5000-0.0000 ( 4752 PWs) bands (ev): -27.1908 -27.1908 -27.1908 -27.1908 -16.2151 -16.2151 -16.2144 -16.2144 -10.0201 -10.0201 -10.0063 -10.0063 -8.9800 -8.9800 -8.9796 -8.9796 -8.7929 -8.7929 -8.7769 -8.7769 -7.7709 -7.7709 -7.7705 -7.7705 1.6700 1.6700 1.6721 1.6721 2.4779 2.4779 2.4802 2.4802 2.8219 2.8219 2.8238 2.8238 2.9735 2.9735 2.9756 2.9756 3.9101 3.9101 3.9199 3.9199 4.2886 4.2886 4.2946 4.2946 12.5049 12.5049 12.5077 12.5077 12.9013 12.9013 12.9016 12.9016 14.0109 14.0109 k = 0.4872 0.5000-0.0000 ( 4748 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2152 -16.2152 -16.2148 -16.2148 -10.0166 -10.0166 -10.0096 -10.0096 -8.9794 -8.9794 -8.9793 -8.9793 -8.7885 -8.7885 -8.7805 -8.7805 -7.7723 -7.7723 -7.7721 -7.7721 1.6694 1.6694 1.6704 1.6704 2.4808 2.4808 2.4819 2.4819 2.8221 2.8221 2.8230 2.8230 2.9749 2.9749 2.9760 2.9760 3.9117 3.9117 3.9166 3.9166 4.2888 4.2888 4.2918 4.2918 12.5073 12.5073 12.5087 12.5087 12.9104 12.9104 12.9106 12.9106 14.0272 14.0273 k = 0.5000 0.5000-0.0000 ( 4752 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2151 -16.2151 -16.2151 -16.2151 -10.0131 -10.0131 -10.0131 -10.0131 -8.9792 -8.9792 -8.9792 -8.9792 -8.7843 -8.7843 -8.7843 -8.7843 -7.7727 -7.7727 -7.7727 -7.7727 1.6695 1.6695 1.6695 1.6695 2.4820 2.4820 2.4820 2.4820 2.8225 2.8225 2.8225 2.8225 2.9758 2.9758 2.9758 2.9758 3.9139 3.9139 3.9139 3.9139 4.2898 4.2898 4.2898 4.2898 12.5085 12.5085 12.5085 12.5085 12.9136 12.9136 12.9136 12.9136 14.0341 14.0341 k = 0.5000 0.5000-0.0000 ( 4752 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2151 -16.2151 -16.2151 -16.2151 -10.0131 -10.0131 -10.0131 -10.0131 -8.9792 -8.9792 -8.9792 -8.9792 -8.7843 -8.7843 -8.7843 -8.7843 -7.7727 -7.7727 -7.7727 -7.7727 1.6695 1.6695 1.6695 1.6695 2.4820 2.4820 2.4820 2.4820 2.8225 2.8225 2.8225 2.8225 2.9758 2.9758 2.9758 2.9758 3.9139 3.9139 3.9139 3.9139 4.2898 4.2898 4.2898 4.2898 12.5085 12.5085 12.5085 12.5085 12.9136 12.9136 12.9136 12.9136 14.0341 14.0341 k = 0.4907 0.4907-0.0000 ( 4748 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2152 -16.2152 -16.2148 -16.2148 -10.0167 -10.0167 -10.0096 -10.0096 -8.9797 -8.9797 -8.9790 -8.9790 -8.7886 -8.7886 -8.7804 -8.7804 -7.7723 -7.7723 -7.7720 -7.7720 1.6692 1.6692 1.6706 1.6706 2.4807 2.4807 2.4819 2.4819 2.8221 2.8221 2.8231 2.8231 2.9748 2.9748 2.9762 2.9762 3.9116 3.9116 3.9168 3.9168 4.2887 4.2887 4.2918 4.2918 12.5070 12.5070 12.5089 12.5089 12.9064 12.9064 12.9144 12.9144 14.0237 14.0237 k = 0.4815 0.4815-0.0000 ( 4756 PWs) bands (ev): -27.1908 -27.1908 -27.1907 -27.1907 -16.2154 -16.2154 -16.2140 -16.2140 -10.0203 -10.0203 -10.0061 -10.0061 -8.9811 -8.9811 -8.9785 -8.9785 -8.7931 -8.7931 -8.7768 -8.7768 -7.7712 -7.7712 -7.7700 -7.7700 1.6690 1.6690 1.6733 1.6733 2.4775 2.4775 2.4804 2.4804 2.8217 2.8217 2.8239 2.8239 2.9724 2.9724 2.9766 2.9766 3.9096 3.9096 3.9205 3.9205 4.2886 4.2886 4.2948 4.2948 12.5032 12.5032 12.5093 12.5093 12.8856 12.8856 12.9167 12.9167 13.9978 13.9978 k = 0.4722 0.4722-0.0000 ( 4750 PWs) bands (ev): -27.1910 -27.1910 -27.1907 -27.1907 -16.2158 -16.2158 -16.2128 -16.2128 -10.0240 -10.0240 -10.0028 -10.0028 -8.9834 -8.9834 -8.9778 -8.9778 -8.7979 -8.7979 -8.7734 -8.7734 -7.7693 -7.7693 -7.7668 -7.7668 1.6687 1.6687 1.6777 1.6777 2.4726 2.4726 2.4778 2.4778 2.8213 2.8213 2.8250 2.8250 2.9686 2.9686 2.9774 2.9774 3.9076 3.9076 3.9254 3.9254 4.2893 4.2893 4.2987 4.2987 12.4970 12.4970 12.5097 12.5097 12.8528 12.8528 12.9206 12.9206 13.9632 13.9632 k = 0.4630 0.4630-0.0000 ( 4760 PWs) bands (ev): -27.1913 -27.1913 -27.1907 -27.1907 -16.2162 -16.2162 -16.2112 -16.2112 -10.0278 -10.0278 -9.9995 -9.9995 -8.9866 -8.9866 -8.9767 -8.9767 -8.8031 -8.8031 -8.7703 -8.7703 -7.7667 -7.7667 -7.7624 -7.7624 1.6684 1.6684 1.6839 1.6839 2.4657 2.4657 2.4740 2.4740 2.8209 2.8209 2.8263 2.8263 2.9636 2.9636 2.9784 2.9784 3.9054 3.9054 3.9315 3.9315 4.2907 4.2907 4.3034 4.3034 12.4885 12.4885 12.5101 12.5101 12.8106 12.8106 12.9261 12.9261 13.9239 13.9239 k = 0.4537 0.4537-0.0000 ( 4772 PWs) bands (ev): -27.1917 -27.1917 -27.1908 -27.1908 -16.2168 -16.2168 -16.2091 -16.2091 -10.0316 -10.0316 -9.9963 -9.9963 -8.9907 -8.9907 -8.9753 -8.9753 -8.8085 -8.8085 -8.7674 -8.7674 -7.7635 -7.7635 -7.7569 -7.7569 1.6680 1.6680 1.6918 1.6918 2.4569 2.4569 2.4693 2.4693 2.8205 2.8205 2.8275 2.8275 2.9576 2.9576 2.9796 2.9796 3.9032 3.9032 3.9388 3.9388 4.2930 4.2930 4.3090 4.3090 12.4776 12.4776 12.5105 12.5105 12.7616 12.7616 12.9331 12.9331 13.8817 13.8817 k = 0.4444 0.4444-0.0000 ( 4780 PWs) bands (ev): -27.1922 -27.1922 -27.1908 -27.1908 -16.2175 -16.2175 -16.2065 -16.2065 -10.0355 -10.0355 -9.9931 -9.9931 -8.9956 -8.9956 -8.9736 -8.9736 -8.8141 -8.8141 -8.7646 -8.7646 -7.7597 -7.7597 -7.7503 -7.7503 1.6675 1.6675 1.7015 1.7015 2.4463 2.4463 2.4636 2.4636 2.8204 2.8204 2.8283 2.8283 2.9512 2.9512 2.9809 2.9809 3.9009 3.9009 3.9471 3.9471 4.2959 4.2959 4.3152 4.3152 12.4645 12.4645 12.5108 12.5108 12.7084 12.7084 12.9417 12.9417 13.8375 13.8375 k = 0.4352 0.4352-0.0000 ( 4788 PWs) bands (ev): -27.1927 -27.1927 -27.1909 -27.1909 -16.2184 -16.2184 -16.2035 -16.2035 -10.0395 -10.0395 -9.9900 -9.9900 -9.0012 -9.0012 -8.9716 -8.9716 -8.8200 -8.8200 -8.7620 -8.7620 -7.7555 -7.7555 -7.7427 -7.7427 1.6671 1.6671 1.7128 1.7128 2.4338 2.4338 2.4570 2.4570 2.8205 2.8205 2.8281 2.8281 2.9450 2.9450 2.9824 2.9824 3.8987 3.8987 3.9562 3.9562 4.2994 4.2994 4.3221 4.3221 12.4491 12.4491 12.5108 12.5108 12.6535 12.6535 12.9518 12.9518 13.7921 13.7921 k = 0.4259 0.4259-0.0000 ( 4784 PWs) bands (ev): -27.1933 -27.1933 -27.1910 -27.1910 -16.2193 -16.2193 -16.2000 -16.2000 -10.0434 -10.0434 -9.9870 -9.9870 -9.0074 -9.0074 -8.9693 -8.9693 -8.8260 -8.8260 -8.7595 -8.7595 -7.7509 -7.7509 -7.7343 -7.7343 1.6667 1.6667 1.7258 1.7258 2.4196 2.4196 2.4496 2.4496 2.8203 2.8203 2.8270 2.8270 2.9400 2.9400 2.9840 2.9840 3.8966 3.8966 3.9660 3.9660 4.3035 4.3035 4.3294 4.3294 12.4313 12.4313 12.5102 12.5102 12.5991 12.5991 12.9634 12.9634 13.7457 13.7457 k = 0.4167 0.4167-0.0000 ( 4774 PWs) bands (ev): -27.1940 -27.1940 -27.1910 -27.1910 -16.2204 -16.2204 -16.1961 -16.1961 -10.0474 -10.0474 -9.9841 -9.9841 -9.0142 -9.0142 -8.9667 -8.9667 -8.8322 -8.8322 -8.7570 -8.7570 -7.7460 -7.7460 -7.7251 -7.7251 1.6664 1.6664 1.7405 1.7405 2.4037 2.4037 2.4415 2.4415 2.8170 2.8170 2.8268 2.8268 2.9371 2.9371 2.9857 2.9857 3.8948 3.8948 3.9762 3.9762 4.3082 4.3082 4.3370 4.3370 12.4105 12.4105 12.5084 12.5084 12.5479 12.5479 12.9765 12.9765 13.6987 13.6987 k = 0.4074 0.4074-0.0000 ( 4774 PWs) bands (ev): -27.1948 -27.1948 -27.1911 -27.1911 -16.2216 -16.2216 -16.1918 -16.1918 -10.0514 -10.0514 -9.9812 -9.9812 -9.0215 -9.0215 -8.9639 -8.9639 -8.8384 -8.8384 -8.7546 -8.7546 -7.7409 -7.7409 -7.7153 -7.7153 1.6662 1.6662 1.7567 1.7567 2.3862 2.3862 2.4328 2.4328 2.8088 2.8088 2.8291 2.8291 2.9369 2.9369 2.9873 2.9873 3.8933 3.8933 3.9865 3.9865 4.3133 4.3133 4.3449 4.3449 12.3863 12.3863 12.4940 12.4940 12.5133 12.5133 12.9910 12.9910 13.6512 13.6512 k = 0.3981 0.3981-0.0000 ( 4778 PWs) bands (ev): -27.1956 -27.1956 -27.1912 -27.1912 -16.2228 -16.2228 -16.1871 -16.1871 -10.0553 -10.0553 -9.9783 -9.9783 -9.0292 -9.0292 -8.9609 -8.9609 -8.8447 -8.8447 -8.7522 -8.7522 -7.7358 -7.7358 -7.7050 -7.7050 1.6662 1.6662 1.7746 1.7746 2.3672 2.3672 2.4235 2.4235 2.7964 2.7964 2.8332 2.8332 2.9398 2.9398 2.9889 2.9889 3.8923 3.8923 3.9966 3.9966 4.3188 4.3188 4.3530 4.3530 12.3578 12.3578 12.4561 12.4561 12.5078 12.5078 13.0071 13.0071 13.6034 13.6034 k = 0.3889 0.3889-0.0000 ( 4770 PWs) bands (ev): -27.1965 -27.1965 -27.1913 -27.1913 -16.2242 -16.2242 -16.1819 -16.1819 -10.0593 -10.0593 -9.9756 -9.9756 -9.0372 -9.0372 -8.9576 -8.9576 -8.8510 -8.8510 -8.7498 -8.7498 -7.7306 -7.7306 -7.6943 -7.6943 1.6664 1.6664 1.7939 1.7939 2.3468 2.3468 2.4137 2.4137 2.7805 2.7805 2.8388 2.8388 2.9455 2.9455 2.9903 2.9903 3.8916 3.8916 4.0065 4.0065 4.3247 4.3247 4.3611 4.3611 12.3256 12.3256 12.4224 12.4224 12.5040 12.5040 13.0245 13.0245 13.5555 13.5555 k = 0.3796 0.3796-0.0000 ( 4770 PWs) bands (ev): -27.1974 -27.1974 -27.1914 -27.1914 -16.2257 -16.2257 -16.1764 -16.1764 -10.0632 -10.0632 -9.9729 -9.9729 -9.0454 -9.0454 -8.9542 -8.9542 -8.8572 -8.8572 -8.7474 -8.7474 -7.7257 -7.7257 -7.6834 -7.6834 1.6669 1.6669 1.8147 1.8147 2.3252 2.3252 2.4035 2.4035 2.7616 2.7616 2.8461 2.8461 2.9536 2.9536 2.9917 2.9917 3.8913 3.8913 4.0157 4.0157 4.3309 4.3309 4.3693 4.3693 12.2918 12.2918 12.3942 12.3942 12.4994 12.4994 13.0434 13.0434 13.5076 13.5076 k = 0.3704 0.3704-0.0000 ( 4770 PWs) bands (ev): -27.1985 -27.1985 -27.1915 -27.1915 -16.2273 -16.2273 -16.1706 -16.1706 -10.0670 -10.0670 -9.9702 -9.9702 -9.0537 -9.0537 -8.9505 -8.9505 -8.8633 -8.8633 -8.7450 -8.7450 -7.7209 -7.7209 -7.6724 -7.6724 1.6676 1.6676 1.8369 1.8369 2.3024 2.3024 2.3930 2.3930 2.7402 2.7402 2.8552 2.8552 2.9637 2.9637 2.9928 2.9928 3.8914 3.8914 4.0242 4.0242 4.3374 4.3374 4.3776 4.3776 12.2587 12.2587 12.3697 12.3697 12.4936 12.4936 13.0637 13.0637 13.4599 13.4599 k = 0.3611 0.3611-0.0000 ( 4776 PWs) bands (ev): -27.1995 -27.1995 -27.1916 -27.1916 -16.2289 -16.2289 -16.1644 -16.1644 -10.0707 -10.0707 -9.9677 -9.9677 -9.0620 -9.0620 -8.9468 -8.9468 -8.8693 -8.8693 -8.7426 -8.7426 -7.7164 -7.7164 -7.6614 -7.6614 1.6688 1.6688 1.8604 1.8604 2.2787 2.2787 2.3822 2.3822 2.7169 2.7169 2.8661 2.8661 2.9754 2.9754 2.9938 2.9938 3.8918 3.8918 4.0318 4.0318 4.3440 4.3440 4.3859 4.3859 12.2285 12.2285 12.3478 12.3478 12.4865 12.4865 13.0853 13.0853 13.4126 13.4126 k = 0.3519 0.3519-0.0000 ( 4780 PWs) bands (ev): -27.2007 -27.2007 -27.1918 -27.1918 -16.2307 -16.2307 -16.1578 -16.1578 -10.0744 -10.0744 -9.9652 -9.9652 -9.0702 -9.0702 -8.9429 -8.9429 -8.8750 -8.8750 -8.7401 -8.7401 -7.7124 -7.7124 -7.6506 -7.6506 1.6702 1.6702 1.8851 1.8851 2.2542 2.2542 2.3712 2.3712 2.6919 2.6919 2.8790 2.8790 2.9883 2.9883 2.9949 2.9949 3.8925 3.8925 4.0382 4.0382 4.3508 4.3508 4.3943 4.3943 12.2021 12.2021 12.3275 12.3275 12.4781 12.4781 13.1082 13.1082 13.3659 13.3659 k = 0.3426 0.3426-0.0000 ( 4776 PWs) bands (ev): -27.2019 -27.2019 -27.1919 -27.1919 -16.2325 -16.2325 -16.1510 -16.1510 -10.0778 -10.0778 -9.9627 -9.9627 -9.0782 -9.0782 -8.9390 -8.9390 -8.8804 -8.8804 -8.7376 -8.7376 -7.7087 -7.7087 -7.6399 -7.6399 1.6722 1.6722 1.9111 1.9111 2.2290 2.2290 2.3601 2.3601 2.6655 2.6655 2.8941 2.8941 2.9945 2.9945 3.0037 3.0037 3.8933 3.8933 4.0434 4.0434 4.3576 4.3576 4.4028 4.4028 12.1803 12.1803 12.3085 12.3085 12.4682 12.4682 13.1322 13.1322 13.3198 13.3198 k = 0.3333 0.3333-0.0000 ( 4788 PWs) bands (ev): -27.2031 -27.2031 -27.1920 -27.1920 -16.2343 -16.2343 -16.1439 -16.1439 -10.0812 -10.0812 -9.9604 -9.9604 -9.0861 -9.0861 -8.9352 -8.9352 -8.8855 -8.8855 -8.7351 -8.7351 -7.7056 -7.7056 -7.6297 -7.6297 1.6745 1.6745 1.9382 1.9382 2.2033 2.2033 2.3489 2.3489 2.6379 2.6379 2.9112 2.9112 2.9948 2.9948 3.0192 3.0192 3.8941 3.8941 4.0474 4.0474 4.3645 4.3645 4.4113 4.4113 12.1633 12.1633 12.2908 12.2908 12.4569 12.4569 13.1572 13.1572 13.2746 13.2746 k = 0.3241 0.3241-0.0000 ( 4780 PWs) bands (ev): -27.2044 -27.2044 -27.1922 -27.1922 -16.2363 -16.2363 -16.1365 -16.1365 -10.0843 -10.0843 -9.9580 -9.9580 -9.0936 -9.0936 -8.9316 -8.9316 -8.8900 -8.8900 -8.7326 -8.7326 -7.7031 -7.7031 -7.6199 -7.6199 1.6774 1.6774 1.9664 1.9664 2.1774 2.1774 2.3378 2.3378 2.6094 2.6094 2.9305 2.9305 2.9947 2.9947 3.0360 3.0360 3.8948 3.8948 4.0500 4.0500 4.3714 4.3714 4.4200 4.4200 12.1511 12.1511 12.2745 12.2745 12.4443 12.4443 13.1824 13.1824 13.2305 13.2305 k = 0.3148 0.3148-0.0000 ( 4782 PWs) bands (ev): -27.2057 -27.2057 -27.1923 -27.1923 -16.2382 -16.2382 -16.1289 -16.1289 -10.0872 -10.0872 -9.9558 -9.9558 -9.1007 -9.1007 -8.9285 -8.9285 -8.8937 -8.8937 -8.7301 -8.7301 -7.7011 -7.7011 -7.6106 -7.6106 1.6807 1.6807 1.9954 1.9954 2.1512 2.1512 2.3267 2.3267 2.5800 2.5800 2.9520 2.9520 2.9943 2.9943 3.0537 3.0537 3.8953 3.8953 4.0512 4.0512 4.3783 4.3783 4.4289 4.4289 12.1433 12.1433 12.2597 12.2597 12.4305 12.4305 13.1861 13.1861 13.2063 13.2063 k = 0.3056 0.3056-0.0000 ( 4782 PWs) bands (ev): -27.2070 -27.2070 -27.1925 -27.1925 -16.2403 -16.2403 -16.1210 -16.1210 -10.0899 -10.0899 -9.9537 -9.9537 -9.1073 -9.1073 -8.9262 -8.9262 -8.8963 -8.8963 -8.7277 -8.7277 -7.6998 -7.6998 -7.6020 -7.6020 1.6846 1.6846 2.0253 2.0253 2.1251 2.1251 2.3157 2.3157 2.5500 2.5500 2.9756 2.9756 2.9935 2.9935 3.0724 3.0724 3.8954 3.8954 4.0512 4.0512 4.3852 4.3852 4.4380 4.4380 12.1391 12.1391 12.2469 12.2469 12.4157 12.4157 13.1442 13.1442 13.2019 13.2019 k = 0.2963 0.2963-0.0000 ( 4774 PWs) bands (ev): -27.2084 -27.2084 -27.1926 -27.1926 -16.2423 -16.2423 -16.1129 -16.1129 -10.0923 -10.0923 -9.9516 -9.9516 -9.1135 -9.1135 -8.9253 -8.9253 -8.8971 -8.8971 -8.7253 -8.7253 -7.6991 -7.6991 -7.5941 -7.5941 1.6890 1.6890 2.0560 2.0560 2.0992 2.0992 2.3048 2.3048 2.5196 2.5196 2.9924 2.9924 3.0013 3.0013 3.0919 3.0919 3.8950 3.8950 4.0499 4.0499 4.3921 4.3921 4.4472 4.4472 12.1371 12.1371 12.2373 12.2373 12.4001 12.4001 13.0941 13.0941 13.1176 13.1176 k = 0.2870 0.2870-0.0000 ( 4774 PWs) bands (ev): -27.2098 -27.2098 -27.1928 -27.1928 -16.2444 -16.2444 -16.1047 -16.1047 -10.0945 -10.0945 -9.9496 -9.9496 -9.1191 -9.1191 -8.9259 -8.9259 -8.8962 -8.8962 -8.7230 -8.7230 -7.6991 -7.6991 -7.5870 -7.5870 1.6939 1.6939 2.0735 2.0735 2.0874 2.0874 2.2942 2.2942 2.4888 2.4888 2.9910 2.9910 3.0288 3.0288 3.1123 3.1123 3.8939 3.8939 4.0476 4.0476 4.3991 4.3991 4.4566 4.4566 12.1351 12.1351 12.2325 12.2325 12.3839 12.3839 12.9826 12.9826 13.0688 13.0688 k = 0.2778 0.2778-0.0000 ( 4782 PWs) bands (ev): -27.2112 -27.2112 -27.1929 -27.1929 -16.2465 -16.2465 -16.0964 -16.0964 -10.0963 -10.0963 -9.9477 -9.9477 -9.1241 -9.1241 -8.9277 -8.9277 -8.8938 -8.8938 -8.7209 -8.7209 -7.6997 -7.6997 -7.5807 -7.5807 1.6993 1.6993 2.0484 2.0484 2.1193 2.1193 2.2837 2.2837 2.4577 2.4577 2.9893 2.9893 3.0581 3.0581 3.1334 3.1334 3.8921 3.8921 4.0443 4.0443 4.4061 4.4061 4.4662 4.4662 12.1304 12.1304 12.2343 12.2343 12.3674 12.3674 12.8586 12.8586 13.0309 13.0309 k = 0.2685 0.2685-0.0000 ( 4774 PWs) bands (ev): -27.2126 -27.2126 -27.1931 -27.1931 -16.2486 -16.2486 -16.0879 -16.0879 -10.0978 -10.0978 -9.9459 -9.9459 -9.1284 -9.1284 -8.9302 -8.9302 -8.8904 -8.8904 -8.7190 -8.7190 -7.7010 -7.7010 -7.5753 -7.5753 1.7053 1.7053 2.0238 2.0238 2.1517 2.1517 2.2735 2.2735 2.4267 2.4267 2.9873 2.9873 3.0889 3.0889 3.1554 3.1554 3.8895 3.8895 4.0404 4.0404 4.4133 4.4133 4.4759 4.4759 12.1213 12.1213 12.2436 12.2436 12.3508 12.3508 12.7338 12.7338 12.9954 12.9954 k = 0.2593 0.2593-0.0000 ( 4774 PWs) bands (ev): -27.2141 -27.2141 -27.1933 -27.1933 -16.2508 -16.2508 -16.0794 -16.0794 -10.0990 -10.0990 -9.9443 -9.9443 -9.1321 -9.1321 -8.9330 -8.9330 -8.8864 -8.8864 -8.7172 -8.7172 -7.7028 -7.7028 -7.5708 -7.5708 1.7117 1.7117 2.0000 2.0000 2.1845 2.1845 2.2635 2.2635 2.3957 2.3957 2.9849 2.9849 3.1207 3.1207 3.1781 3.1781 3.8861 3.8861 4.0360 4.0360 4.4205 4.4205 4.4857 4.4857 12.1077 12.1077 12.2593 12.2593 12.3346 12.3346 12.6095 12.6095 12.9620 12.9620 k = 0.2500 0.2500-0.0000 ( 4768 PWs) bands (ev): -27.2155 -27.2155 -27.1934 -27.1934 -16.2529 -16.2529 -16.0708 -16.0708 -10.0998 -10.0998 -9.9427 -9.9427 -9.1351 -9.1351 -8.9359 -8.9359 -8.8822 -8.8822 -8.7157 -8.7157 -7.7052 -7.7052 -7.5673 -7.5673 1.7185 1.7185 1.9770 1.9770 2.2174 2.2174 2.2538 2.2538 2.3651 2.3651 2.9823 2.9823 3.1531 3.1531 3.2017 3.2017 3.8817 3.8817 4.0317 4.0317 4.4279 4.4279 4.4955 4.4955 12.0899 12.0899 12.2794 12.2794 12.3194 12.3194 12.4863 12.4863 12.9308 12.9308 k = 0.2407 0.2407-0.0000 ( 4760 PWs) bands (ev): -27.2170 -27.2170 -27.1936 -27.1936 -16.2550 -16.2550 -16.0621 -16.0621 -10.1003 -10.1003 -9.9413 -9.9413 -9.1373 -9.1373 -8.9386 -8.9386 -8.8778 -8.8778 -8.7145 -8.7145 -7.7081 -7.7081 -7.5647 -7.5647 1.7258 1.7258 1.9549 1.9549 2.2442 2.2442 2.2503 2.2503 2.3353 2.3353 2.9794 2.9794 3.1854 3.1854 3.2263 3.2263 3.8764 3.8764 4.0277 4.0277 4.4355 4.4355 4.5054 4.5054 12.0681 12.0681 12.2953 12.2953 12.3122 12.3122 12.3650 12.3650 12.9019 12.9019 k = 0.2315 0.2315-0.0000 ( 4760 PWs) bands (ev): -27.2184 -27.2184 -27.1938 -27.1938 -16.2571 -16.2571 -16.0535 -16.0535 -10.1004 -10.1004 -9.9400 -9.9400 -9.1389 -9.1389 -8.9412 -8.9412 -8.8733 -8.8733 -8.7137 -8.7137 -7.7116 -7.7116 -7.5631 -7.5631 1.7334 1.7334 1.9338 1.9338 2.2347 2.2347 2.2806 2.2806 2.3088 2.3088 2.9762 2.9762 3.2168 3.2168 3.2522 3.2522 3.8702 3.8702 4.0246 4.0246 4.4432 4.4432 4.5152 4.5152 12.0422 12.0422 12.2443 12.2443 12.2864 12.2864 12.3340 12.3340 12.8757 12.8757 k = 0.2222 0.2222-0.0000 ( 4754 PWs) bands (ev): -27.2199 -27.2199 -27.1939 -27.1939 -16.2592 -16.2592 -16.0449 -16.0449 -10.1001 -10.1001 -9.9389 -9.9389 -9.1396 -9.1396 -8.9436 -8.9436 -8.8689 -8.8689 -8.7132 -8.7132 -7.7154 -7.7154 -7.5624 -7.5624 1.7412 1.7412 1.9139 1.9139 2.2247 2.2247 2.2735 2.2735 2.3210 2.3210 2.9728 2.9728 3.2463 3.2463 3.2794 3.2794 3.8633 3.8633 4.0230 4.0230 4.4510 4.4510 4.5250 4.5250 12.0119 12.0119 12.1271 12.1271 12.2728 12.2728 12.3613 12.3613 12.8523 12.8523 k = 0.2130 0.2130-0.0000 ( 4764 PWs) bands (ev): -27.2213 -27.2213 -27.1941 -27.1941 -16.2613 -16.2613 -16.0363 -16.0363 -10.0994 -10.0994 -9.9379 -9.9379 -9.1396 -9.1396 -8.9458 -8.9458 -8.8645 -8.8645 -8.7132 -8.7132 -7.7196 -7.7196 -7.5626 -7.5626 1.7493 1.7493 1.8951 1.8951 2.2130 2.2130 2.2490 2.2490 2.3532 2.3532 2.9692 2.9692 3.2737 3.2737 3.3076 3.3076 3.8556 3.8556 4.0236 4.0236 4.4589 4.4589 4.5346 4.5346 11.9765 11.9765 12.0121 12.0121 12.2600 12.2600 12.3896 12.3896 12.8321 12.8321 k = 0.2037 0.2037-0.0000 ( 4765 PWs) bands (ev): -27.2227 -27.2227 -27.1943 -27.1943 -16.2633 -16.2633 -16.0279 -16.0279 -10.0983 -10.0983 -9.9371 -9.9371 -9.1389 -9.1389 -8.9477 -8.9477 -8.8602 -8.8602 -8.7136 -8.7136 -7.7241 -7.7241 -7.5638 -7.5638 1.7576 1.7576 1.8775 1.8775 2.1968 2.1968 2.2292 2.2292 2.3863 2.3863 2.9654 2.9654 3.2991 3.2991 3.3356 3.3356 3.8472 3.8472 4.0271 4.0271 4.4668 4.4668 4.5441 4.5441 11.8991 11.8991 11.9367 11.9367 12.2478 12.2478 12.4182 12.4182 12.8155 12.8155 k = 0.1944 0.1944-0.0000 ( 4765 PWs) bands (ev): -27.2241 -27.2241 -27.1944 -27.1944 -16.2653 -16.2653 -16.0195 -16.0195 -10.0969 -10.0969 -9.9365 -9.9365 -9.1374 -9.1374 -8.9493 -8.9493 -8.8560 -8.8560 -8.7144 -8.7144 -7.7288 -7.7288 -7.5658 -7.5658 1.7659 1.7659 1.8612 1.8612 2.1747 2.1747 2.2161 2.2161 2.4193 2.4193 2.9614 2.9614 3.3228 3.3228 3.3623 3.3623 3.8382 3.8382 4.0342 4.0342 4.4748 4.4748 4.5534 4.5534 11.7898 11.7898 11.8910 11.8910 12.2362 12.2362 12.4466 12.4466 12.8029 12.8029 k = 0.1852 0.1852-0.0000 ( 4763 PWs) bands (ev): -27.2254 -27.2254 -27.1946 -27.1946 -16.2672 -16.2672 -16.0113 -16.0113 -10.0950 -10.0950 -9.9361 -9.9361 -9.1352 -9.1352 -8.9507 -8.9507 -8.8520 -8.8520 -8.7159 -8.7159 -7.7337 -7.7337 -7.5687 -7.5687 1.7743 1.7743 1.8462 1.8462 2.1499 2.1499 2.2070 2.2070 2.4522 2.4522 2.9573 2.9573 3.3447 3.3447 3.3869 3.3869 3.8288 3.8288 4.0457 4.0457 4.4827 4.4827 4.5625 4.5625 11.6834 11.6834 11.8402 11.8402 12.2251 12.2251 12.4748 12.4748 12.7948 12.7948 k = 0.1759 0.1759-0.0000 ( 4753 PWs) bands (ev): -27.2267 -27.2267 -27.1948 -27.1948 -16.2691 -16.2691 -16.0033 -16.0033 -10.0929 -10.0929 -9.9359 -9.9359 -9.1322 -9.1322 -8.9518 -8.9518 -8.8482 -8.8482 -8.7178 -8.7178 -7.7387 -7.7387 -7.5723 -7.5723 1.7825 1.7825 1.8326 1.8326 2.1245 2.1245 2.1996 2.1996 2.4847 2.4847 2.9531 2.9531 3.3642 3.3642 3.4093 3.4093 3.8190 3.8190 4.0620 4.0620 4.4906 4.4906 4.5712 4.5712 11.5804 11.5804 11.7844 11.7844 12.2143 12.2143 12.5027 12.5027 12.7916 12.7916 k = 0.1667 0.1667-0.0000 ( 4753 PWs) bands (ev): -27.2280 -27.2280 -27.1949 -27.1949 -16.2709 -16.2709 -15.9955 -15.9955 -10.0903 -10.0903 -9.9359 -9.9359 -9.1286 -9.1286 -8.9526 -8.9526 -8.8446 -8.8446 -8.7203 -8.7203 -7.7436 -7.7436 -7.5767 -7.5767 1.7906 1.7906 1.8202 1.8202 2.0995 2.0995 2.1933 2.1933 2.5167 2.5167 2.9488 2.9488 3.3803 3.3803 3.4300 3.4300 3.8088 3.8088 4.0832 4.0832 4.4984 4.4984 4.5797 4.5797 11.4811 11.4811 11.7241 11.7241 12.2035 12.2035 12.5305 12.5305 12.7937 12.7937 k = 0.1574 0.1574-0.0000 ( 4755 PWs) bands (ev): -27.2293 -27.2293 -27.1951 -27.1951 -16.2727 -16.2727 -15.9879 -15.9879 -10.0874 -10.0874 -9.9362 -9.9362 -9.1243 -9.1243 -8.9531 -8.9531 -8.8412 -8.8412 -8.7235 -8.7235 -7.7485 -7.7485 -7.5816 -7.5816 1.7982 1.7982 1.8094 1.8094 2.0752 2.0752 2.1876 2.1876 2.5483 2.5483 2.9445 2.9445 3.3921 3.3921 3.4498 3.4498 3.7985 3.7985 4.1093 4.1093 4.5060 4.5060 4.5877 4.5877 11.3855 11.3855 11.6600 11.6600 12.1926 12.1926 12.5581 12.5581 12.7880 12.7880 k = 0.1481 0.1481-0.0000 ( 4761 PWs) bands (ev): -27.2305 -27.2305 -27.1952 -27.1952 -16.2744 -16.2744 -15.9806 -15.9806 -10.0843 -10.0843 -9.9367 -9.9367 -9.1193 -9.1193 -8.9533 -8.9533 -8.8380 -8.8380 -8.7272 -8.7272 -7.7533 -7.7533 -7.5872 -7.5872 1.7986 1.7986 1.8068 1.8068 2.0518 2.0518 2.1826 2.1826 2.5792 2.5792 2.9402 2.9402 3.3989 3.3989 3.4694 3.4694 3.7882 3.7882 4.1397 4.1397 4.5136 4.5136 4.5954 4.5954 11.2941 11.2941 11.5928 11.5928 12.1815 12.1815 12.5854 12.5854 12.7470 12.7470 k = 0.1389 0.1389-0.0000 ( 4767 PWs) bands (ev): -27.2316 -27.2316 -27.1954 -27.1954 -16.2760 -16.2760 -15.9736 -15.9736 -10.0808 -10.0808 -9.9374 -9.9374 -9.1138 -9.1138 -8.9533 -8.9533 -8.8351 -8.8351 -8.7314 -8.7314 -7.7579 -7.7579 -7.5932 -7.5932 1.7905 1.7905 1.8135 1.8135 2.0295 2.0295 2.1780 2.1780 2.6094 2.6094 2.9360 2.9360 3.4011 3.4011 3.4890 3.4890 3.7780 3.7780 4.1737 4.1737 4.5210 4.5210 4.6027 4.6027 11.2069 11.2069 11.5234 11.5234 12.1702 12.1702 12.6121 12.6121 12.7080 12.7080 k = 0.1296 0.1296-0.0000 ( 4767 PWs) bands (ev): -27.2327 -27.2327 -27.1955 -27.1955 -16.2776 -16.2776 -15.9669 -15.9669 -10.0771 -10.0771 -9.9384 -9.9384 -9.1077 -9.1077 -8.9531 -8.9531 -8.8324 -8.8324 -8.7362 -8.7362 -7.7623 -7.7623 -7.5996 -7.5996 1.7832 1.7832 1.8201 1.8201 2.0083 2.0083 2.1739 2.1739 2.6389 2.6389 2.9318 2.9318 3.3991 3.3991 3.5084 3.5084 3.7680 3.7680 4.2103 4.2103 4.5283 4.5283 4.6096 4.6096 11.1242 11.1242 11.4527 11.4527 12.1586 12.1586 12.6367 12.6367 12.6719 12.6719 k = 0.1204 0.1204-0.0000 ( 4767 PWs) bands (ev): -27.2337 -27.2337 -27.1956 -27.1956 -16.2790 -16.2790 -15.9606 -15.9606 -10.0731 -10.0731 -9.9396 -9.9396 -9.1011 -9.1011 -8.9526 -8.9526 -8.8300 -8.8300 -8.7416 -8.7416 -7.7664 -7.7664 -7.6062 -7.6062 1.7771 1.7771 1.8263 1.8263 1.9883 1.9883 2.1702 2.1702 2.6674 2.6674 2.9278 2.9278 3.3939 3.3939 3.5272 3.5272 3.7584 3.7584 4.2485 4.2485 4.5356 4.5356 4.6160 4.6160 11.0462 11.0462 11.3817 11.3817 12.1468 12.1468 12.6327 12.6327 12.6642 12.6642 k = 0.1111 0.1111-0.0000 ( 4771 PWs) bands (ev): -27.2347 -27.2347 -27.1957 -27.1957 -16.2804 -16.2804 -15.9546 -15.9546 -10.0690 -10.0690 -9.9411 -9.9411 -9.0942 -9.0942 -8.9519 -8.9519 -8.8278 -8.8278 -8.7474 -8.7474 -7.7701 -7.7701 -7.6130 -7.6130 1.7720 1.7720 1.8319 1.8319 1.9696 1.9696 2.1669 2.1669 2.6949 2.6949 2.9240 2.9240 3.3861 3.3861 3.5452 3.5452 3.7495 3.7495 4.2873 4.2873 4.5430 4.5430 4.6219 4.6219 10.9731 10.9731 11.3113 11.3113 12.1350 12.1350 12.6012 12.6012 12.6811 12.6811 k = 0.1019 0.1019-0.0000 ( 4775 PWs) bands (ev): -27.2356 -27.2356 -27.1959 -27.1959 -16.2817 -16.2817 -15.9490 -15.9490 -10.0647 -10.0647 -9.9427 -9.9427 -9.0869 -9.0869 -8.9509 -8.9509 -8.8259 -8.8259 -8.7536 -8.7536 -7.7735 -7.7735 -7.6200 -7.6200 1.7679 1.7679 1.8369 1.8369 1.9521 1.9521 2.1640 2.1640 2.7212 2.7212 2.9204 2.9204 3.3764 3.3764 3.5621 3.5621 3.7412 3.7412 4.3256 4.3256 4.5507 4.5507 4.6274 4.6274 10.9051 10.9051 11.2426 11.2426 12.1233 12.1233 12.5708 12.5708 12.6893 12.6893 k = 0.0926 0.0926-0.0000 ( 4775 PWs) bands (ev): -27.2364 -27.2364 -27.1960 -27.1960 -16.2828 -16.2828 -15.9438 -15.9438 -10.0604 -10.0604 -9.9446 -9.9446 -9.0794 -9.0794 -8.9498 -8.9498 -8.8243 -8.8243 -8.7602 -8.7602 -7.7765 -7.7765 -7.6268 -7.6268 1.7647 1.7647 1.8413 1.8413 1.9361 1.9361 2.1614 2.1614 2.7463 2.7463 2.9171 2.9171 3.3654 3.3654 3.5777 3.5777 3.7340 3.7340 4.3624 4.3624 4.5589 4.5589 4.6324 4.6324 10.8422 10.8422 11.1763 11.1763 12.1120 12.1120 12.5427 12.5427 12.6842 12.6842 k = 0.0833 0.0833-0.0000 ( 4783 PWs) bands (ev): -27.2372 -27.2372 -27.1961 -27.1961 -16.2839 -16.2839 -15.9390 -15.9390 -10.0560 -10.0560 -9.9466 -9.9466 -9.0719 -9.0719 -8.9485 -8.9485 -8.8229 -8.8229 -8.7670 -8.7670 -7.7791 -7.7791 -7.6335 -7.6335 1.7624 1.7624 1.8451 1.8451 1.9215 1.9215 2.1591 2.1591 2.7699 2.7699 2.9142 2.9142 3.3536 3.3536 3.5916 3.5916 3.7278 3.7278 4.3964 4.3964 4.5680 4.5680 4.6369 4.6369 10.7848 10.7848 11.1135 11.1135 12.1011 12.1011 12.5171 12.5171 12.6687 12.6687 k = 0.0741 0.0741-0.0000 ( 4787 PWs) bands (ev): -27.2379 -27.2379 -27.1962 -27.1962 -16.2849 -16.2849 -15.9347 -15.9347 -10.0516 -10.0516 -9.9488 -9.9488 -9.0644 -9.0644 -8.9471 -8.9471 -8.8219 -8.8219 -8.7738 -8.7738 -7.7813 -7.7813 -7.6400 -7.6400 1.7607 1.7607 1.8483 1.8483 1.9083 1.9083 2.1571 2.1571 2.7918 2.7918 2.9118 2.9118 3.3414 3.3414 3.6036 3.6036 3.7228 3.7228 4.4266 4.4266 4.5783 4.5783 4.6410 4.6410 10.7330 10.7330 11.0548 11.0548 12.0910 12.0910 12.4939 12.4939 12.6487 12.6487 k = 0.0648 0.0648-0.0000 ( 4791 PWs) bands (ev): -27.2385 -27.2385 -27.1962 -27.1962 -16.2857 -16.2857 -15.9308 -15.9308 -10.0474 -10.0474 -9.9510 -9.9510 -9.0571 -9.0571 -8.9455 -8.9455 -8.8212 -8.8212 -8.7805 -8.7805 -7.7831 -7.7831 -7.6461 -7.6461 1.7597 1.7597 1.8510 1.8510 1.8966 1.8966 2.1555 2.1555 2.8118 2.8118 2.9099 2.9099 3.3292 3.3292 3.6136 3.6136 3.7193 3.7193 4.4521 4.4521 4.5902 4.5902 4.6447 4.6447 10.6869 10.6869 11.0011 11.0011 12.0816 12.0816 12.4734 12.4734 12.6284 12.6284 k = 0.0556 0.0556-0.0000 ( 4791 PWs) bands (ev): -27.2390 -27.2390 -27.1963 -27.1963 -16.2865 -16.2865 -15.9275 -15.9275 -10.0433 -10.0433 -9.9533 -9.9533 -9.0503 -9.0503 -8.9439 -8.9439 -8.8208 -8.8208 -8.7869 -8.7869 -7.7846 -7.7846 -7.6516 -7.6516 1.7591 1.7591 1.8531 1.8531 1.8864 1.8864 2.1541 2.1541 2.8294 2.8294 2.9089 2.9089 3.3175 3.3175 3.6215 3.6215 3.7172 3.7172 4.4724 4.4724 4.6034 4.6034 4.6479 4.6479 10.6467 10.6467 10.9531 10.9531 12.0732 12.0732 12.4554 12.4554 12.6095 12.6095 k = 0.0463 0.0463-0.0000 ( 4787 PWs) bands (ev): -27.2395 -27.2395 -27.1964 -27.1964 -16.2871 -16.2871 -15.9246 -15.9246 -10.0396 -10.0396 -9.9555 -9.9555 -9.0440 -9.0440 -8.9422 -8.9422 -8.8209 -8.8209 -8.7926 -8.7926 -7.7858 -7.7858 -7.6566 -7.6566 1.7588 1.7588 1.8547 1.8547 1.8777 1.8777 2.1529 2.1529 2.8442 2.8442 2.9088 2.9088 3.3066 3.3066 3.6273 3.6273 3.7165 3.7165 4.4877 4.4877 4.6171 4.6171 4.6509 4.6509 10.6124 10.6124 10.9113 10.9113 12.0659 12.0659 12.4402 12.4402 12.5929 12.5929 k = 0.0370 0.0370-0.0000 ( 4791 PWs) bands (ev): -27.2399 -27.2399 -27.1964 -27.1964 -16.2877 -16.2877 -15.9222 -15.9222 -10.0362 -10.0362 -9.9576 -9.9576 -9.0385 -9.0385 -8.9406 -8.9406 -8.8214 -8.8214 -8.7975 -8.7975 -7.7866 -7.7866 -7.6608 -7.6608 1.7588 1.7588 1.8560 1.8560 1.8706 1.8706 2.1520 2.1520 2.8557 2.8557 2.9099 2.9099 3.2969 3.2969 3.6312 3.6312 3.7167 3.7167 4.4986 4.4986 4.6301 4.6301 4.6538 4.6538 10.5842 10.5842 10.8764 10.8764 12.0598 12.0598 12.4277 12.4277 12.5792 12.5792 k = 0.0278 0.0278-0.0000 ( 4785 PWs) bands (ev): -27.2402 -27.2402 -27.1964 -27.1964 -16.2881 -16.2881 -15.9204 -15.9204 -10.0334 -10.0334 -9.9594 -9.9594 -9.0340 -9.0340 -8.9391 -8.9391 -8.8224 -8.8224 -8.8011 -8.8011 -7.7872 -7.7872 -7.6642 -7.6642 1.7590 1.7590 1.8568 1.8568 1.8650 1.8650 2.1513 2.1513 2.8638 2.8638 2.9121 2.9121 3.2888 3.2888 3.6337 3.6337 3.7175 3.7175 4.5062 4.5062 4.6405 4.6405 4.6571 4.6571 10.5622 10.5622 10.8487 10.8487 12.0549 12.0549 12.4180 12.4180 12.5684 12.5684 k = 0.0185 0.0185-0.0000 ( 4791 PWs) bands (ev): -27.2404 -27.2404 -27.1965 -27.1965 -16.2884 -16.2884 -15.9191 -15.9191 -10.0312 -10.0312 -9.9608 -9.9608 -9.0306 -9.0306 -8.9379 -8.9379 -8.8236 -8.8236 -8.8035 -8.8035 -7.7877 -7.7877 -7.6667 -7.6667 1.7591 1.7591 1.8574 1.8574 1.8610 1.8610 2.1508 2.1508 2.8688 2.8688 2.9147 2.9147 3.2827 3.2827 3.6351 3.6351 3.7185 3.7185 4.5110 4.5110 4.6469 4.6469 4.6612 4.6612 10.5464 10.5464 10.8287 10.8287 12.0514 12.0514 12.4110 12.4110 12.5606 12.5606 k = 0.0093 0.0093-0.0000 ( 4799 PWs) bands (ev): -27.2405 -27.2405 -27.1965 -27.1965 -16.2886 -16.2886 -15.9183 -15.9183 -10.0299 -10.0299 -9.9617 -9.9617 -9.0285 -9.0285 -8.9372 -8.9372 -8.8245 -8.8245 -8.8048 -8.8048 -7.7879 -7.7879 -7.6683 -7.6683 1.7593 1.7593 1.8577 1.8577 1.8587 1.8587 2.1505 2.1505 2.8714 2.8714 2.9168 2.9168 3.2789 3.2789 3.6358 3.6358 3.7192 3.7192 4.5138 4.5138 4.6498 4.6498 4.6650 4.6650 10.5369 10.5369 10.8166 10.8166 12.0493 12.0493 12.4068 12.4068 12.5559 12.5559 k = 0.0000 0.0000 0.0000 ( 4797 PWs) bands (ev): -27.2406 -27.2406 -27.1965 -27.1965 -16.2886 -16.2886 -15.9180 -15.9180 -10.0294 -10.0294 -9.9621 -9.9621 -9.0278 -9.0278 -8.9369 -8.9369 -8.8249 -8.8249 -8.8052 -8.8052 -7.7880 -7.7880 -7.6688 -7.6688 1.7593 1.7593 1.8577 1.8577 1.8580 1.8580 2.1504 2.1504 2.8722 2.8722 2.9176 2.9176 3.2776 3.2776 3.6361 3.6361 3.7195 3.7195 4.5146 4.5146 4.6505 4.6505 4.6664 4.6664 10.5338 10.5338 10.8125 10.8125 12.0486 12.0486 12.4054 12.4054 12.5543 12.5543 k = 0.0000 0.0000 0.0000 ( 4797 PWs) bands (ev): -27.2406 -27.2406 -27.1965 -27.1965 -16.2886 -16.2886 -15.9180 -15.9180 -10.0294 -10.0294 -9.9621 -9.9621 -9.0278 -9.0278 -8.9369 -8.9369 -8.8249 -8.8249 -8.8052 -8.8052 -7.7880 -7.7880 -7.6688 -7.6688 1.7593 1.7593 1.8577 1.8577 1.8580 1.8580 2.1504 2.1504 2.8722 2.8722 2.9176 2.9176 3.2776 3.2776 3.6361 3.6361 3.7195 3.7195 4.5146 4.5146 4.6505 4.6505 4.6664 4.6664 10.5338 10.5338 10.8125 10.8125 12.0486 12.0486 12.4054 12.4054 12.5543 12.5543 k = 0.0000 0.0000 0.0129 ( 4793 PWs) bands (ev): -27.2405 -27.2405 -27.1965 -27.1965 -16.2886 -16.2886 -15.9180 -15.9180 -10.0294 -10.0294 -9.9621 -9.9621 -9.0281 -9.0281 -8.9368 -8.9368 -8.8245 -8.8245 -8.8053 -8.8053 -7.7881 -7.7881 -7.6687 -7.6687 1.7589 1.7589 1.8577 1.8577 1.8580 1.8580 2.1503 2.1503 2.8718 2.8718 2.9172 2.9172 3.2787 3.2787 3.6367 3.6367 3.7201 3.7201 4.5137 4.5137 4.6492 4.6492 4.6662 4.6662 10.5354 10.5354 10.8161 10.8161 12.0523 12.0523 12.4022 12.4022 12.5550 12.5550 k = 0.0000 0.0000 0.0258 ( 4785 PWs) bands (ev): -27.2405 -27.2405 -27.1965 -27.1965 -16.2886 -16.2886 -15.9180 -15.9180 -10.0294 -10.0294 -9.9624 -9.9624 -9.0288 -9.0288 -8.9367 -8.9367 -8.8232 -8.8232 -8.8054 -8.8054 -7.7883 -7.7883 -7.6684 -7.6684 1.7576 1.7576 1.8577 1.8577 1.8580 1.8580 2.1503 2.1503 2.8707 2.8707 2.9161 2.9161 3.2818 3.2818 3.6387 3.6387 3.7221 3.7221 4.5110 4.5110 4.6453 4.6453 4.6655 4.6655 10.5404 10.5404 10.8266 10.8266 12.0632 12.0632 12.3929 12.3929 12.5568 12.5568 k = 0.0000 0.0000 0.0387 ( 4765 PWs) bands (ev): -27.2405 -27.2405 -27.1965 -27.1965 -16.2886 -16.2886 -15.9180 -15.9180 -10.0294 -10.0294 -9.9629 -9.9629 -9.0299 -9.0299 -8.9366 -8.9366 -8.8211 -8.8211 -8.8055 -8.8055 -7.7888 -7.7888 -7.6680 -7.6680 1.7554 1.7554 1.8578 1.8578 1.8580 1.8580 2.1502 2.1502 2.8688 2.8688 2.9142 2.9142 3.2871 3.2871 3.6420 3.6420 3.7254 3.7254 4.5061 4.5061 4.6391 4.6391 4.6644 4.6644 10.5486 10.5486 10.8440 10.8440 12.0813 12.0813 12.3773 12.3773 12.5600 12.5600 k = 0.0000 0.0000 0.0516 ( 4773 PWs) bands (ev): -27.2404 -27.2404 -27.1966 -27.1966 -16.2886 -16.2886 -15.9180 -15.9180 -10.0294 -10.0294 -9.9635 -9.9635 -9.0315 -9.0315 -8.9364 -8.9364 -8.8184 -8.8184 -8.8058 -8.8058 -7.7895 -7.7895 -7.6675 -7.6675 1.7524 1.7524 1.8578 1.8578 1.8580 1.8580 2.1501 2.1501 2.8663 2.8663 2.9117 2.9117 3.2945 3.2945 3.6464 3.6464 3.7299 3.7299 4.4990 4.4990 4.6310 4.6310 4.6628 4.6628 10.5601 10.5601 10.8681 10.8681 12.1065 12.1065 12.3558 12.3558 12.5645 12.5645 k = 0.0000 0.0000 0.0645 ( 4777 PWs) bands (ev): -27.2404 -27.2404 -27.1967 -27.1967 -16.2886 -16.2886 -15.9180 -15.9180 -10.0294 -10.0294 -9.9643 -9.9643 -9.0334 -9.0334 -8.9361 -8.9361 -8.8150 -8.8150 -8.8060 -8.8060 -7.7903 -7.7903 -7.6668 -7.6668 1.7486 1.7486 1.8578 1.8578 1.8581 1.8581 2.1499 2.1499 2.8631 2.8631 2.9085 2.9085 3.3039 3.3039 3.6520 3.6520 3.7356 3.7356 4.4891 4.4891 4.6216 4.6216 4.6609 4.6609 10.5749 10.5749 10.8986 10.8986 12.1385 12.1385 12.3284 12.3284 12.5704 12.5704 k = 0.0000 0.0000 0.0773 ( 4769 PWs) bands (ev): -27.2403 -27.2403 -27.1967 -27.1967 -16.2886 -16.2886 -15.9180 -15.9180 -10.0293 -10.0293 -9.9653 -9.9653 -9.0356 -9.0356 -8.9357 -8.9357 -8.8110 -8.8110 -8.8064 -8.8064 -7.7913 -7.7913 -7.6660 -7.6660 1.7442 1.7442 1.8578 1.8578 1.8581 1.8581 2.1497 2.1497 2.8594 2.8594 2.9047 2.9047 3.3153 3.3153 3.6585 3.6585 3.7423 3.7423 4.4760 4.4760 4.6116 4.6116 4.6585 4.6585 10.5929 10.5929 10.9353 10.9353 12.1770 12.1770 12.2957 12.2957 12.5776 12.5776 k = 0.0000 0.0000 0.0902 ( 4769 PWs) bands (ev): -27.2402 -27.2402 -27.1968 -27.1968 -16.2887 -16.2887 -15.9180 -15.9180 -10.0293 -10.0293 -9.9664 -9.9664 -9.0380 -9.0380 -8.9353 -8.9353 -8.8068 -8.8068 -8.8066 -8.8066 -7.7924 -7.7924 -7.6650 -7.6650 1.7392 1.7392 1.8578 1.8578 1.8582 1.8582 2.1495 2.1495 2.8553 2.8553 2.9006 2.9006 3.3287 3.3287 3.6660 3.6660 3.7498 3.7498 4.4594 4.4594 4.6015 4.6015 4.6558 4.6558 10.6140 10.6140 10.9777 10.9777 12.2217 12.2217 12.2579 12.2579 12.5861 12.5861 k = 0.0000 0.0000 0.1031 ( 4769 PWs) bands (ev): -27.2402 -27.2402 -27.1969 -27.1969 -16.2887 -16.2887 -15.9180 -15.9180 -10.0293 -10.0293 -9.9676 -9.9676 -9.0406 -9.0406 -8.9349 -8.9349 -8.8073 -8.8073 -8.8018 -8.8018 -7.7936 -7.7936 -7.6640 -7.6640 1.7337 1.7337 1.8577 1.8577 1.8582 1.8582 2.1493 2.1493 2.8508 2.8508 2.8960 2.8960 3.3441 3.3441 3.6742 3.6742 3.7581 3.7581 4.4392 4.4392 4.5919 4.5919 4.6527 4.6527 10.6383 10.6383 11.0255 11.0255 12.2155 12.2155 12.2720 12.2720 12.5958 12.5958 k = 0.0000 0.0000 0.1160 ( 4769 PWs) bands (ev): -27.2401 -27.2401 -27.1970 -27.1970 -16.2887 -16.2887 -15.9180 -15.9180 -10.0293 -10.0293 -9.9688 -9.9688 -9.0432 -9.0432 -8.9345 -8.9345 -8.8077 -8.8077 -8.7968 -8.7968 -7.7949 -7.7949 -7.6629 -7.6629 1.7278 1.7278 1.8577 1.8577 1.8583 1.8583 2.1490 2.1490 2.8461 2.8461 2.8912 2.8912 3.3613 3.3613 3.6829 3.6829 3.7670 3.7670 4.4153 4.4153 4.5830 4.5830 4.6494 4.6494 10.6656 10.6656 11.0782 11.0782 12.1690 12.1690 12.3272 12.3272 12.6068 12.6068 k = 0.0000 0.0000 0.1289 ( 4782 PWs) bands (ev): -27.2400 -27.2400 -27.1971 -27.1971 -16.2887 -16.2887 -15.9180 -15.9180 -10.0293 -10.0293 -9.9702 -9.9702 -9.0458 -9.0458 -8.9340 -8.9340 -8.8082 -8.8082 -8.7916 -8.7916 -7.7963 -7.7963 -7.6618 -7.6618 1.7216 1.7216 1.8577 1.8577 1.8583 1.8583 2.1487 2.1487 2.8412 2.8412 2.8863 2.8863 3.3802 3.3802 3.6921 3.6921 3.7763 3.7763 4.3880 4.3880 4.5750 4.5750 4.6459 4.6459 10.6960 10.6960 11.1352 11.1352 12.1188 12.1188 12.3863 12.3863 12.6189 12.6189 k = 0.0000 0.0000 0.1418 ( 4798 PWs) bands (ev): -27.2399 -27.2399 -27.1972 -27.1972 -16.2888 -16.2888 -15.9180 -15.9180 -10.0293 -10.0293 -9.9715 -9.9715 -9.0484 -9.0484 -8.9335 -8.9335 -8.8088 -8.8088 -8.7864 -8.7864 -7.7977 -7.7977 -7.6606 -7.6606 1.7153 1.7153 1.8577 1.8577 1.8584 1.8584 2.1484 2.1484 2.8362 2.8362 2.8812 2.8812 3.4008 3.4008 3.7016 3.7016 3.7858 3.7858 4.3580 4.3580 4.5677 4.5677 4.6421 4.6421 10.7293 10.7293 11.1961 11.1961 12.0654 12.0654 12.4480 12.4480 12.6319 12.6319 k = 0.0000 0.0000 0.1547 ( 4790 PWs) bands (ev): -27.2398 -27.2398 -27.1973 -27.1973 -16.2888 -16.2888 -15.9180 -15.9180 -10.0293 -10.0293 -9.9729 -9.9729 -9.0510 -9.0510 -8.9330 -8.9330 -8.8093 -8.8093 -8.7813 -8.7813 -7.7991 -7.7991 -7.6594 -7.6594 1.7090 1.7090 1.8576 1.8576 1.8585 1.8585 2.1481 2.1481 2.8313 2.8313 2.8762 2.8762 3.4230 3.4230 3.7112 3.7112 3.7954 3.7954 4.3255 4.3255 4.5612 4.5612 4.6383 4.6383 10.7655 10.7655 11.2602 11.2602 12.0092 12.0092 12.5102 12.5102 12.6459 12.6459 k = 0.0000 0.0000 0.1676 ( 4798 PWs) bands (ev): -27.2397 -27.2397 -27.1974 -27.1974 -16.2888 -16.2888 -15.9180 -15.9180 -10.0293 -10.0293 -9.9743 -9.9743 -9.0534 -9.0534 -8.9325 -8.9325 -8.8098 -8.8098 -8.7763 -8.7763 -7.8006 -7.8006 -7.6583 -7.6583 1.7028 1.7028 1.8576 1.8576 1.8585 1.8585 2.1479 2.1479 2.8265 2.8265 2.8713 2.8713 3.4465 3.4465 3.7207 3.7207 3.8050 3.8050 4.2912 4.2912 4.5552 4.5552 4.6345 4.6345 10.8045 10.8045 11.3269 11.3269 11.9508 11.9508 12.5694 12.5694 12.6605 12.6605 k = 0.0000 0.0000 0.1805 ( 4802 PWs) bands (ev): -27.2396 -27.2396 -27.1975 -27.1975 -16.2888 -16.2888 -15.9180 -15.9180 -10.0293 -10.0293 -9.9756 -9.9756 -9.0556 -9.0556 -8.9320 -8.9320 -8.8103 -8.8103 -8.7715 -8.7715 -7.8020 -7.8020 -7.6571 -7.6571 1.6967 1.6967 1.8575 1.8575 1.8586 1.8586 2.1476 2.1476 2.8219 2.8219 2.8667 2.8667 3.4713 3.4713 3.7301 3.7301 3.8143 3.8143 4.2556 4.2556 4.5497 4.5497 4.6307 4.6307 10.8462 10.8462 11.3956 11.3956 11.8905 11.8905 12.6199 12.6199 12.6758 12.6758 k = 0.0000 0.0000 0.1934 ( 4798 PWs) bands (ev): -27.2395 -27.2395 -27.1976 -27.1976 -16.2888 -16.2888 -15.9180 -15.9180 -10.0293 -10.0293 -9.9768 -9.9768 -9.0577 -9.0577 -8.9315 -8.9315 -8.8108 -8.8108 -8.7670 -8.7670 -7.8033 -7.8033 -7.6560 -7.6560 1.6910 1.6910 1.8575 1.8575 1.8587 1.8587 2.1473 2.1473 2.8176 2.8176 2.8623 2.8623 3.4969 3.4969 3.7391 3.7391 3.8231 3.8231 4.2192 4.2192 4.5448 4.5448 4.6270 4.6270 10.8905 10.8905 11.4655 11.4655 11.8287 11.8287 12.6529 12.6529 12.6914 12.6914 k = 0.0000 0.0000 0.2063 ( 4806 PWs) bands (ev): -27.2394 -27.2394 -27.1977 -27.1977 -16.2888 -16.2888 -15.9180 -15.9180 -10.0293 -10.0293 -9.9780 -9.9780 -9.0596 -9.0596 -8.9310 -8.9310 -8.8113 -8.8113 -8.7629 -8.7629 -7.8045 -7.8045 -7.6550 -7.6550 1.6857 1.6857 1.8574 1.8574 1.8587 1.8587 2.1471 2.1471 2.8136 2.8136 2.8582 2.8582 3.5232 3.5232 3.7478 3.7478 3.8314 3.8314 4.1827 4.1827 4.5403 4.5403 4.6235 4.6235 10.9372 10.9372 11.5357 11.5357 11.7659 11.7659 12.6602 12.6602 12.7070 12.7070 k = 0.0000 0.0000 0.2191 ( 4790 PWs) bands (ev): -27.2393 -27.2393 -27.1977 -27.1977 -16.2888 -16.2888 -15.9180 -15.9180 -10.0293 -10.0293 -9.9790 -9.9790 -9.0612 -9.0612 -8.9306 -8.9306 -8.8117 -8.8117 -8.7592 -8.7592 -7.8057 -7.8057 -7.6541 -7.6541 1.6808 1.6808 1.8574 1.8574 1.8588 1.8588 2.1468 2.1468 2.8101 2.8101 2.8546 2.8546 3.5496 3.5496 3.7559 3.7559 3.8389 3.8389 4.1467 4.1467 4.5364 4.5364 4.6202 4.6202 10.9864 10.9864 11.6054 11.6054 11.7023 11.7023 12.6419 12.6419 12.7224 12.7224 k = 0.0000 0.0000 0.2320 ( 4790 PWs) bands (ev): -27.2392 -27.2392 -27.1978 -27.1978 -16.2888 -16.2888 -15.9180 -15.9180 -10.0293 -10.0293 -9.9799 -9.9799 -9.0626 -9.0626 -8.9302 -8.9302 -8.8121 -8.8121 -8.7560 -8.7560 -7.8067 -7.8067 -7.6533 -7.6533 1.6766 1.6766 1.8574 1.8574 1.8588 1.8588 2.1466 2.1466 2.8070 2.8070 2.8515 2.8515 3.5754 3.5754 3.7634 3.7634 3.8455 3.8455 4.1119 4.1119 4.5329 4.5329 4.6173 4.6173 11.0377 11.0377 11.6384 11.6384 11.6730 11.6730 12.6068 12.6068 12.7370 12.7370 k = 0.0000 0.0000 0.2449 ( 4790 PWs) bands (ev): -27.2392 -27.2392 -27.1979 -27.1979 -16.2889 -16.2889 -15.9180 -15.9180 -10.0293 -10.0293 -9.9807 -9.9807 -9.0638 -9.0638 -8.9299 -8.9299 -8.8124 -8.8124 -8.7533 -8.7533 -7.8075 -7.8075 -7.6527 -7.6527 1.6730 1.6730 1.8573 1.8573 1.8589 1.8589 2.1465 2.1465 2.8044 2.8044 2.8488 2.8488 3.5998 3.5998 3.7702 3.7702 3.8511 3.8511 4.0795 4.0795 4.5301 4.5301 4.6148 4.6148 11.0912 11.0912 11.5745 11.5745 11.7369 11.7369 12.5637 12.5637 12.7504 12.7504 k = 0.0000 0.0000 0.2578 ( 4782 PWs) bands (ev): -27.2391 -27.2391 -27.1979 -27.1979 -16.2889 -16.2889 -15.9180 -15.9180 -10.0293 -10.0293 -9.9813 -9.9813 -9.0648 -9.0648 -8.9297 -8.9297 -8.8127 -8.8127 -8.7511 -8.7511 -7.8082 -7.8082 -7.6521 -7.6521 1.6702 1.6702 1.8573 1.8573 1.8589 1.8589 2.1463 2.1463 2.8024 2.8024 2.8467 2.8467 3.6214 3.6214 3.7764 3.7764 3.8556 3.8556 4.0508 4.0508 4.5278 4.5278 4.6128 4.6128 11.1465 11.1465 11.5108 11.5108 11.7943 11.7943 12.5198 12.5198 12.7619 12.7619 k = 0.0000 0.0000 0.2707 ( 4782 PWs) bands (ev): -27.2391 -27.2391 -27.1980 -27.1980 -16.2889 -16.2889 -15.9180 -15.9180 -10.0293 -10.0293 -9.9817 -9.9817 -9.0654 -9.0654 -8.9295 -8.9295 -8.8129 -8.8129 -8.7496 -8.7496 -7.8087 -7.8087 -7.6517 -7.6517 1.6681 1.6681 1.8573 1.8573 1.8589 1.8589 2.1462 2.1462 2.8009 2.8009 2.8452 2.8452 3.6388 3.6388 3.7815 3.7815 3.8588 3.8588 4.0276 4.0276 4.5261 4.5261 4.6114 4.6114 11.2036 11.2036 11.4477 11.4477 11.8416 11.8416 12.4812 12.4812 12.7708 12.7708 k = 0.0000 0.0000 0.2836 ( 4790 PWs) bands (ev): -27.2391 -27.2391 -27.1980 -27.1980 -16.2889 -16.2889 -15.9180 -15.9180 -10.0293 -10.0293 -9.9820 -9.9820 -9.0658 -9.0658 -8.9294 -8.9294 -8.8130 -8.8130 -8.7487 -8.7487 -7.8090 -7.8090 -7.6515 -7.6515 1.6669 1.6669 1.8573 1.8573 1.8589 1.8589 2.1462 2.1462 2.8000 2.8000 2.8443 2.8443 3.6502 3.6502 3.7851 3.7851 3.8608 3.8608 4.0122 4.0122 4.5251 4.5251 4.6105 4.6105 11.2619 11.2619 11.3857 11.3857 11.8735 11.8735 12.4541 12.4541 12.7765 12.7765 k = 0.0000 0.0000 0.2965 ( 4782 PWs) bands (ev): -27.2391 -27.2391 -27.1980 -27.1980 -16.2889 -16.2889 -15.9180 -15.9180 -10.0293 -10.0293 -9.9821 -9.9821 -9.0659 -9.0659 -8.9293 -8.9293 -8.8130 -8.8130 -8.7483 -8.7483 -7.8091 -7.8091 -7.6514 -7.6514 1.6665 1.6665 1.8573 1.8573 1.8590 1.8590 2.1462 2.1462 2.7997 2.7997 2.8440 2.8440 3.6541 3.6541 3.7865 3.7865 3.8615 3.8615 4.0067 4.0067 4.5248 4.5248 4.6102 4.6102 11.3121 11.3121 11.3343 11.3343 11.8850 11.8850 12.4442 12.4442 12.7785 12.7785 k = 0.0000 0.0000 0.2965 ( 4782 PWs) bands (ev): -27.2391 -27.2391 -27.1980 -27.1980 -16.2889 -16.2889 -15.9180 -15.9180 -10.0293 -10.0293 -9.9821 -9.9821 -9.0659 -9.0659 -8.9293 -8.9293 -8.8130 -8.8130 -8.7483 -8.7483 -7.8091 -7.8091 -7.6514 -7.6514 1.6665 1.6665 1.8573 1.8573 1.8590 1.8590 2.1462 2.1462 2.7997 2.7997 2.8440 2.8440 3.6541 3.6541 3.7865 3.7865 3.8615 3.8615 4.0067 4.0067 4.5248 4.5248 4.6102 4.6102 11.3121 11.3121 11.3343 11.3343 11.8850 11.8850 12.4442 12.4442 12.7785 12.7785 k = 0.0000 0.0128 0.2965 ( 4782 PWs) bands (ev): -27.2390 -27.2390 -27.1980 -27.1980 -16.2888 -16.2888 -15.9182 -15.9182 -10.0300 -10.0300 -9.9815 -9.9815 -9.0666 -9.0666 -8.9288 -8.9288 -8.8137 -8.8137 -8.7479 -8.7479 -7.8088 -7.8088 -7.6510 -7.6510 1.6669 1.6669 1.8576 1.8576 1.8593 1.8593 2.1462 2.1462 2.7994 2.7994 2.8437 2.8437 3.6529 3.6529 3.7820 3.7820 3.8555 3.8555 4.0164 4.0164 4.5243 4.5243 4.6096 4.6096 11.3144 11.3144 11.3366 11.3366 11.8867 11.8867 12.4438 12.4438 12.7776 12.7776 k = 0.0000 0.0256 0.2965 ( 4790 PWs) bands (ev): -27.2389 -27.2389 -27.1980 -27.1980 -16.2886 -16.2886 -15.9190 -15.9190 -10.0321 -10.0321 -9.9798 -9.9798 -9.0687 -9.0687 -8.9273 -8.9273 -8.8156 -8.8156 -8.7465 -8.7465 -7.8079 -7.8079 -7.6499 -7.6499 1.6681 1.6681 1.8588 1.8588 1.8603 1.8603 2.1463 2.1463 2.7986 2.7986 2.8429 2.8429 3.6493 3.6493 3.7673 3.7673 3.8442 3.8442 4.0402 4.0402 4.5230 4.5230 4.6079 4.6079 11.3213 11.3213 11.3436 11.3436 11.8918 11.8918 12.4427 12.4427 12.7749 12.7749 k = 0.0000 0.0385 0.2965 ( 4794 PWs) bands (ev): -27.2387 -27.2387 -27.1979 -27.1979 -16.2884 -16.2884 -15.9203 -15.9203 -10.0351 -10.0351 -9.9772 -9.9772 -9.0719 -9.0719 -8.9248 -8.9248 -8.8185 -8.8185 -8.7445 -8.7445 -7.8063 -7.8063 -7.6481 -7.6481 1.6702 1.6702 1.8606 1.8606 1.8621 1.8621 2.1464 2.1464 2.7971 2.7971 2.8415 2.8415 3.6430 3.6430 3.7420 3.7420 3.8358 3.8358 4.0707 4.0707 4.5208 4.5208 4.6051 4.6051 11.3327 11.3327 11.3551 11.3551 11.9003 11.9003 12.4407 12.4407 12.7706 12.7706 k = 0.0000 0.0513 0.2965 ( 4790 PWs) bands (ev): -27.2384 -27.2384 -27.1979 -27.1979 -16.2880 -16.2880 -15.9221 -15.9221 -10.0389 -10.0389 -9.9742 -9.9742 -9.0761 -9.0761 -8.9217 -8.9217 -8.8222 -8.8222 -8.7422 -8.7422 -7.8041 -7.8041 -7.6455 -7.6455 1.6730 1.6730 1.8629 1.8629 1.8648 1.8648 2.1466 2.1466 2.7949 2.7949 2.8398 2.8398 3.6332 3.6332 3.7099 3.7099 3.8312 3.8312 4.1037 4.1037 4.5178 4.5178 4.6013 4.6013 11.3484 11.3484 11.3711 11.3711 11.9123 11.9123 12.4378 12.4378 12.7647 12.7647 k = 0.0000 0.0641 0.2965 ( 4794 PWs) bands (ev): -27.2381 -27.2381 -27.1978 -27.1978 -16.2875 -16.2875 -15.9243 -15.9243 -10.0431 -10.0431 -9.9708 -9.9708 -9.0811 -9.0811 -8.9181 -8.9181 -8.8264 -8.8264 -8.7397 -8.7397 -7.8013 -7.8013 -7.6422 -7.6422 1.6766 1.6766 1.8656 1.8656 1.8685 1.8685 2.1469 2.1469 2.7918 2.7918 2.8377 2.8377 3.6181 3.6181 3.6768 3.6768 3.8291 3.8291 4.1373 4.1373 4.5139 4.5139 4.5965 4.5965 11.3681 11.3681 11.3912 11.3912 11.9276 11.9276 12.4341 12.4341 12.7576 12.7576 k = 0.0000 0.0769 0.2965 ( 4794 PWs) bands (ev): -27.2377 -27.2377 -27.1978 -27.1978 -16.2868 -16.2868 -15.9271 -15.9271 -10.0476 -10.0476 -9.9674 -9.9674 -9.0867 -9.0867 -8.9143 -8.9143 -8.8308 -8.8308 -8.7374 -8.7374 -7.7978 -7.7978 -7.6383 -7.6383 1.6810 1.6810 1.8689 1.8689 1.8730 1.8730 2.1472 2.1472 2.7876 2.7876 2.8354 2.8354 3.5942 3.5942 3.6484 3.6484 3.8282 3.8282 4.1704 4.1704 4.5092 4.5092 4.5908 4.5908 11.3916 11.3916 11.4152 11.4152 11.9464 11.9464 12.4295 12.4295 12.7493 12.7493 k = 0.0000 0.0897 0.2965 ( 4786 PWs) bands (ev): -27.2372 -27.2372 -27.1977 -27.1977 -16.2861 -16.2861 -15.9303 -15.9303 -10.0522 -10.0522 -9.9640 -9.9640 -9.0928 -9.0928 -8.9105 -8.9105 -8.8352 -8.8352 -8.7353 -8.7353 -7.7936 -7.7936 -7.6338 -7.6338 1.6860 1.6860 1.8728 1.8728 1.8785 1.8785 2.1475 2.1475 2.7822 2.7822 2.8327 2.8327 3.5607 3.5607 3.6268 3.6268 3.8281 3.8281 4.2026 4.2026 4.5037 4.5037 4.5843 4.5843 11.4186 11.4186 11.4428 11.4428 11.9685 11.9685 12.4241 12.4241 12.7403 12.7403 k = 0.0000 0.1026 0.2965 ( 4782 PWs) bands (ev): -27.2366 -27.2366 -27.1976 -27.1976 -16.2852 -16.2852 -15.9340 -15.9340 -10.0568 -10.0568 -9.9608 -9.9608 -9.0991 -9.0991 -8.9068 -8.9068 -8.8394 -8.8394 -8.7337 -8.7337 -7.7888 -7.7888 -7.6286 -7.6286 1.6916 1.6916 1.8772 1.8772 1.8848 1.8848 2.1478 2.1478 2.7757 2.7757 2.8296 2.8296 3.5220 3.5220 3.6087 3.6087 3.8285 3.8285 4.2334 4.2334 4.4975 4.4975 4.5771 4.5771 11.4485 11.4485 11.4735 11.4735 11.9941 11.9941 12.4181 12.4181 12.7306 12.7306 k = 0.0000 0.1154 0.2965 ( 4774 PWs) bands (ev): -27.2360 -27.2360 -27.1975 -27.1975 -16.2842 -16.2842 -15.9381 -15.9381 -10.0614 -10.0614 -9.9577 -9.9577 -9.1054 -9.1054 -8.9035 -8.9035 -8.8433 -8.8433 -8.7327 -8.7327 -7.7832 -7.7832 -7.6229 -7.6229 1.6978 1.6978 1.8821 1.8821 1.8918 1.8918 2.1481 2.1481 2.7679 2.7679 2.8259 2.8259 3.4815 3.4815 3.5912 3.5912 3.8294 3.8294 4.2625 4.2625 4.4905 4.4905 4.5694 4.5694 11.4809 11.4809 11.5067 11.5067 12.0229 12.0229 12.4117 12.4117 12.7207 12.7207 k = 0.0000 0.1282 0.2965 ( 4772 PWs) bands (ev): -27.2353 -27.2353 -27.1974 -27.1974 -16.2830 -16.2830 -15.9427 -15.9427 -10.0658 -10.0658 -9.9550 -9.9550 -9.1118 -9.1118 -8.9009 -8.9009 -8.8467 -8.8467 -8.7323 -8.7323 -7.7769 -7.7769 -7.6168 -7.6168 1.7045 1.7045 1.8876 1.8876 1.8997 1.8997 2.1483 2.1483 2.7589 2.7589 2.8214 2.8214 3.4412 3.4412 3.5734 3.5734 3.8307 3.8307 4.2897 4.2897 4.4830 4.4830 4.5613 4.5613 11.5153 11.5153 11.5419 11.5419 12.0551 12.0551 12.4056 12.4056 12.7108 12.7108 k = 0.0000 0.1410 0.2965 ( 4780 PWs) bands (ev): -27.2345 -27.2345 -27.1974 -27.1974 -16.2818 -16.2818 -15.9477 -15.9477 -10.0700 -10.0700 -9.9525 -9.9525 -9.1180 -9.1180 -8.8991 -8.8991 -8.8493 -8.8493 -8.7327 -8.7327 -7.7698 -7.7698 -7.6102 -7.6102 1.7117 1.7117 1.8937 1.8937 1.9082 1.9082 2.1486 2.1486 2.7487 2.7487 2.8155 2.8155 3.4019 3.4019 3.5549 3.5549 3.8322 3.8322 4.3146 4.3146 4.4750 4.4750 4.5530 4.5530 11.5511 11.5511 11.5782 11.5782 12.0905 12.0905 12.4001 12.4001 12.7011 12.7011 k = 0.0000 0.1538 0.2965 ( 4778 PWs) bands (ev): -27.2337 -27.2337 -27.1973 -27.1973 -16.2803 -16.2803 -15.9531 -15.9531 -10.0740 -10.0740 -9.9505 -9.9505 -9.1241 -9.1241 -8.8983 -8.8983 -8.8510 -8.8510 -8.7338 -8.7338 -7.7621 -7.7621 -7.6032 -7.6032 1.7193 1.7193 1.9003 1.9003 1.9175 1.9175 2.1487 2.1487 2.7375 2.7375 2.8080 2.8080 3.3647 3.3647 3.5358 3.5358 3.8342 3.8342 4.3369 4.3369 4.4670 4.4670 4.5446 4.5446 11.5878 11.5878 11.6146 11.6146 12.1290 12.1290 12.3962 12.3962 12.6920 12.6920 k = 0.0000 0.1667 0.2965 ( 4766 PWs) bands (ev): -27.2328 -27.2328 -27.1972 -27.1972 -16.2787 -16.2787 -15.9589 -15.9589 -10.0777 -10.0777 -9.9487 -9.9487 -9.1297 -9.1297 -8.8985 -8.8985 -8.8519 -8.8519 -8.7358 -8.7358 -7.7537 -7.7537 -7.5958 -7.5958 1.7273 1.7273 1.9075 1.9075 1.9273 1.9273 2.1488 2.1488 2.7253 2.7253 2.7984 2.7984 3.3300 3.3300 3.5161 3.5161 3.8364 3.8364 4.3556 4.3556 4.4598 4.4598 4.5362 4.5362 11.6249 11.6249 11.6503 11.6503 12.1705 12.1705 12.3948 12.3948 12.6836 12.6836 k = 0.0000 0.1795 0.2965 ( 4766 PWs) bands (ev): -27.2319 -27.2319 -27.1971 -27.1971 -16.2770 -16.2770 -15.9651 -15.9651 -10.0811 -10.0811 -9.9474 -9.9474 -9.1350 -9.1350 -8.8997 -8.8997 -8.8520 -8.8520 -8.7385 -8.7385 -7.7446 -7.7446 -7.5882 -7.5882 1.7356 1.7356 1.9152 1.9152 1.9376 1.9376 2.1488 2.1488 2.7122 2.7122 2.7861 2.7861 3.2986 3.2986 3.4960 3.4960 3.8390 3.8390 4.3692 4.3692 4.4547 4.4547 4.5280 4.5280 11.6618 11.6618 11.6839 11.6839 12.2149 12.2149 12.3969 12.3969 12.6762 12.6762 k = 0.0000 0.1923 0.2965 ( 4770 PWs) bands (ev): -27.2309 -27.2309 -27.1970 -27.1970 -16.2751 -16.2751 -15.9715 -15.9715 -10.0841 -10.0841 -9.9465 -9.9465 -9.1399 -9.1399 -8.9016 -8.9016 -8.8516 -8.8516 -8.7421 -8.7421 -7.7349 -7.7349 -7.5804 -7.5804 1.7443 1.7443 1.9234 1.9234 1.9484 1.9484 2.1486 2.1486 2.6981 2.6981 2.7710 2.7710 3.2709 3.2709 3.4757 3.4757 3.8419 3.8419 4.3758 4.3758 4.4539 4.4539 4.5200 4.5200 11.6979 11.6979 11.7144 11.7144 12.2617 12.2617 12.4035 12.4035 12.6700 12.6700 k = 0.0000 0.2051 0.2965 ( 4774 PWs) bands (ev): -27.2299 -27.2299 -27.1970 -27.1970 -16.2730 -16.2730 -15.9783 -15.9783 -10.0867 -10.0867 -9.9460 -9.9460 -9.1442 -9.1442 -8.9041 -8.9041 -8.8508 -8.8508 -8.7464 -8.7464 -7.7246 -7.7246 -7.5725 -7.5725 1.7533 1.7533 1.9321 1.9321 1.9595 1.9595 2.1483 2.1483 2.6832 2.6832 2.7527 2.7527 3.2473 3.2473 3.4555 3.4555 3.8450 3.8450 4.3745 4.3745 4.4582 4.4582 4.5123 4.5123 11.7328 11.7328 11.7409 11.7409 12.3107 12.3107 12.4154 12.4154 12.6652 12.6652 k = 0.0000 0.2179 0.2965 ( 4774 PWs) bands (ev): -27.2288 -27.2288 -27.1969 -27.1969 -16.2707 -16.2707 -15.9854 -15.9854 -10.0889 -10.0889 -9.9460 -9.9460 -9.1480 -9.1480 -8.9070 -8.9070 -8.8498 -8.8498 -8.7515 -8.7515 -7.7137 -7.7137 -7.5645 -7.5645 1.7626 1.7626 1.9414 1.9414 1.9707 1.9707 2.1478 2.1478 2.6675 2.6675 2.7313 2.7313 3.2280 3.2280 3.4355 3.4355 3.8485 3.8485 4.3668 4.3668 4.4659 4.4659 4.5051 4.5051 11.7623 11.7623 11.7662 11.7662 12.3614 12.3614 12.4332 12.4332 12.6619 12.6619 k = 0.0000 0.2308 0.2965 ( 4772 PWs) bands (ev): -27.2277 -27.2277 -27.1969 -27.1969 -16.2683 -16.2683 -15.9928 -15.9928 -10.0906 -10.0906 -9.9464 -9.9464 -9.1512 -9.1512 -8.9101 -8.9101 -8.8489 -8.8489 -8.7572 -8.7572 -7.7024 -7.7024 -7.5564 -7.5564 1.7721 1.7721 1.9511 1.9511 1.9821 1.9821 2.1472 2.1472 2.6509 2.6509 2.7070 2.7070 3.2128 3.2128 3.4160 3.4160 3.8524 3.8524 4.3554 4.3554 4.4746 4.4746 4.4986 4.4986 11.7789 11.7789 11.7975 11.7975 12.4135 12.4135 12.4567 12.4567 12.6603 12.6603 k = 0.0000 0.2436 0.2965 ( 4772 PWs) bands (ev): -27.2266 -27.2266 -27.1969 -27.1969 -16.2657 -16.2657 -16.0004 -16.0004 -10.0920 -10.0920 -9.9472 -9.9472 -9.1538 -9.1538 -8.9135 -8.9135 -8.8480 -8.8480 -8.7636 -8.7636 -7.6907 -7.6907 -7.5484 -7.5484 1.7820 1.7820 1.9613 1.9613 1.9934 1.9934 2.1463 2.1463 2.6333 2.6333 2.6804 2.6804 3.2016 3.2016 3.3972 3.3972 3.8565 3.8565 4.3416 4.3416 4.4813 4.4813 4.4942 4.4942 11.7905 11.7905 11.8266 11.8266 12.4663 12.4663 12.4854 12.4854 12.6605 12.6605 k = 0.0000 0.2564 0.2965 ( 4770 PWs) bands (ev): -27.2254 -27.2254 -27.1969 -27.1969 -16.2628 -16.2628 -16.0082 -16.0082 -10.0929 -10.0929 -9.9485 -9.9485 -9.1556 -9.1556 -8.9170 -8.9170 -8.8473 -8.8473 -8.7705 -8.7705 -7.6787 -7.6787 -7.5406 -7.5406 1.7921 1.7921 1.9719 1.9719 2.0046 2.0046 2.1453 2.1453 2.6144 2.6144 2.6522 2.6522 3.1938 3.1938 3.3792 3.3792 3.8609 3.8609 4.3265 4.3265 4.4807 4.4807 4.4966 4.4966 11.7978 11.7978 11.8530 11.8530 12.5167 12.5167 12.5207 12.5207 12.6628 12.6628 k = 0.0000 0.2692 0.2965 ( 4770 PWs) bands (ev): -27.2242 -27.2242 -27.1969 -27.1969 -16.2598 -16.2598 -16.0162 -16.0162 -10.0933 -10.0933 -9.9502 -9.9502 -9.1568 -9.1568 -8.9206 -8.9206 -8.8468 -8.8468 -8.7778 -8.7778 -7.6664 -7.6664 -7.5329 -7.5329 1.8024 1.8024 1.9830 1.9830 2.0156 2.0156 2.1440 2.1440 2.5932 2.5932 2.6241 2.6241 3.1891 3.1891 3.3623 3.3623 3.8657 3.8657 4.3104 4.3104 4.4759 4.4759 4.5024 4.5024 11.8018 11.8018 11.8767 11.8767 12.5531 12.5531 12.5722 12.5722 12.6674 12.6674 k = 0.0000 0.2821 0.2965 ( 4774 PWs) bands (ev): -27.2230 -27.2230 -27.1970 -27.1970 -16.2565 -16.2565 -16.0244 -16.0244 -10.0933 -10.0933 -9.9523 -9.9523 -9.1573 -9.1573 -8.9245 -8.9245 -8.8466 -8.8466 -8.7855 -8.7855 -7.6539 -7.6539 -7.5254 -7.5254 1.8131 1.8131 1.9944 1.9944 2.0262 2.0262 2.1424 2.1424 2.5683 2.5683 2.5980 2.5980 3.1869 3.1869 3.3466 3.3466 3.8708 3.8708 4.2937 4.2937 4.4705 4.4705 4.5077 4.5077 11.8032 11.8032 11.8975 11.8975 12.5899 12.5899 12.6231 12.6231 12.6748 12.6748 k = 0.0000 0.2949 0.2965 ( 4762 PWs) bands (ev): -27.2218 -27.2218 -27.1971 -27.1971 -16.2531 -16.2531 -16.0327 -16.0327 -10.0927 -10.0927 -9.9548 -9.9548 -9.1570 -9.1570 -8.9286 -8.9286 -8.8465 -8.8465 -8.7933 -8.7933 -7.6413 -7.6413 -7.5183 -7.5183 1.8240 1.8240 2.0062 2.0062 2.0365 2.0365 2.1407 2.1407 2.5393 2.5393 2.5750 2.5750 3.1868 3.1868 3.3322 3.3322 3.8763 3.8763 4.2766 4.2766 4.4654 4.4654 4.5118 4.5118 11.8030 11.8030 11.9153 11.9153 12.6265 12.6265 12.6677 12.6677 12.6896 12.6896 k = 0.0000 0.3077 0.2965 ( 4764 PWs) bands (ev): -27.2206 -27.2206 -27.1972 -27.1972 -16.2494 -16.2494 -16.0412 -16.0412 -10.0918 -10.0918 -9.9577 -9.9577 -9.1560 -9.1560 -8.9330 -8.9330 -8.8467 -8.8467 -8.8011 -8.8011 -7.6287 -7.6287 -7.5115 -7.5115 1.8353 1.8353 2.0183 2.0183 2.0464 2.0464 2.1386 2.1386 2.5077 2.5077 2.5540 2.5540 3.1883 3.1883 3.3192 3.3192 3.8821 3.8821 4.2592 4.2592 4.4605 4.4605 4.5146 4.5146 11.8019 11.8019 11.9299 11.9299 12.6611 12.6611 12.6903 12.6903 12.7275 12.7275 k = 0.0000 0.3205 0.2965 ( 4764 PWs) bands (ev): -27.2194 -27.2194 -27.1974 -27.1974 -16.2454 -16.2454 -16.0497 -16.0497 -10.0904 -10.0904 -9.9610 -9.9610 -9.1542 -9.1542 -8.9378 -8.9378 -8.8471 -8.8471 -8.8088 -8.8088 -7.6162 -7.6162 -7.5052 -7.5052 1.8468 1.8468 2.0304 2.0304 2.0559 2.0559 2.1363 2.1363 2.4751 2.4751 2.5338 2.5338 3.1910 3.1910 3.3077 3.3077 3.8883 3.8883 4.2417 4.2417 4.4561 4.4561 4.5161 4.5161 11.8005 11.8005 11.9415 11.9415 12.6901 12.6901 12.7101 12.7101 12.7716 12.7716 k = 0.0000 0.3333 0.2965 ( 4776 PWs) bands (ev): -27.2182 -27.2182 -27.1976 -27.1976 -16.2413 -16.2413 -16.0583 -16.0583 -10.0885 -10.0885 -9.9647 -9.9647 -9.1517 -9.1517 -8.9431 -8.9431 -8.8478 -8.8478 -8.8163 -8.8163 -7.6039 -7.6039 -7.4993 -7.4993 1.8586 1.8586 2.0425 2.0425 2.0653 2.0653 2.1338 2.1338 2.4424 2.4424 2.5139 2.5139 3.1948 3.1948 3.2976 3.2976 3.8949 3.8949 4.2241 4.2241 4.4521 4.4521 4.5164 4.5164 11.7993 11.7993 11.9500 11.9500 12.7111 12.7111 12.7369 12.7369 12.8134 12.8134 k = 0.0000 0.3462 0.2965 ( 4764 PWs) bands (ev): -27.2170 -27.2170 -27.1978 -27.1978 -16.2369 -16.2369 -16.0669 -16.0669 -10.0862 -10.0862 -9.9687 -9.9687 -9.1485 -9.1485 -8.9489 -8.9489 -8.8486 -8.8486 -8.8233 -8.8233 -7.5917 -7.5917 -7.4940 -7.4940 1.8707 1.8707 2.0539 2.0539 2.0750 2.0750 2.1311 2.1311 2.4101 2.4101 2.4942 2.4942 3.1992 3.1992 3.2889 3.2889 3.9018 3.9018 4.2067 4.2067 4.4487 4.4487 4.5155 4.5155 11.7987 11.7987 11.9556 11.9556 12.7301 12.7301 12.7654 12.7654 12.8517 12.8517 k = 0.0000 0.3590 0.2965 ( 4768 PWs) bands (ev): -27.2158 -27.2158 -27.1981 -27.1981 -16.2323 -16.2323 -16.0755 -16.0755 -10.0835 -10.0835 -9.9730 -9.9730 -9.1445 -9.1445 -8.9553 -8.9553 -8.8495 -8.8495 -8.8297 -8.8297 -7.5799 -7.5799 -7.4893 -7.4893 1.8831 1.8831 2.0642 2.0642 2.0854 2.0854 2.1282 2.1282 2.3785 2.3785 2.4745 2.4745 3.2042 3.2042 3.2816 3.2816 3.9092 3.9092 4.1893 4.1893 4.4458 4.4458 4.5135 4.5135 11.7989 11.7989 11.9584 11.9584 12.7502 12.7502 12.7924 12.7924 12.8858 12.8858 k = 0.0000 0.3718 0.2965 ( 4776 PWs) bands (ev): -27.2146 -27.2146 -27.1984 -27.1984 -16.2274 -16.2274 -16.0842 -16.0842 -10.0803 -10.0803 -9.9776 -9.9776 -9.1398 -9.1398 -8.9625 -8.9625 -8.8507 -8.8507 -8.8354 -8.8354 -7.5684 -7.5684 -7.4852 -7.4852 1.8959 1.8959 2.0730 2.0730 2.0964 2.0964 2.1257 2.1257 2.3480 2.3480 2.4548 2.4548 3.2094 3.2094 3.2756 3.2756 3.9170 3.9170 4.1722 4.1722 4.4436 4.4436 4.5105 4.5105 11.8002 11.8002 11.9586 11.9586 12.7722 12.7722 12.8174 12.8174 12.9154 12.9154 k = 0.0000 0.3846 0.2965 ( 4784 PWs) bands (ev): -27.2134 -27.2134 -27.1988 -27.1988 -16.2223 -16.2223 -16.0928 -16.0928 -10.0768 -10.0768 -9.9824 -9.9824 -9.1344 -9.1344 -8.9703 -8.9703 -8.8519 -8.8519 -8.8403 -8.8403 -7.5574 -7.5574 -7.4818 -7.4818 1.9089 1.9089 2.0802 2.0802 2.1064 2.1064 2.1252 2.1252 2.3187 2.3187 2.4351 2.4351 3.2146 3.2146 3.2707 3.2707 3.9253 3.9253 4.1553 4.1553 4.4419 4.4419 4.5068 4.5068 11.8027 11.8027 11.9565 11.9565 12.7961 12.7961 12.8404 12.8404 12.9402 12.9402 k = 0.0000 0.3974 0.2965 ( 4792 PWs) bands (ev): -27.2123 -27.2123 -27.1992 -27.1992 -16.2169 -16.2169 -16.1013 -16.1013 -10.0730 -10.0730 -9.9875 -9.9875 -9.1283 -9.1283 -8.9788 -8.9788 -8.8533 -8.8533 -8.8445 -8.8445 -7.5469 -7.5469 -7.4791 -7.4791 1.9223 1.9223 2.0861 2.0861 2.1100 2.1100 2.1319 2.1319 2.2909 2.2909 2.4155 2.4155 3.2199 3.2199 3.2668 3.2668 3.9339 3.9339 4.1386 4.1386 4.4410 4.4410 4.5023 4.5023 11.8064 11.8064 11.9522 11.9522 12.8220 12.8220 12.8617 12.8617 12.9603 12.9603 k = 0.0000 0.4103 0.2965 ( 4794 PWs) bands (ev): -27.2112 -27.2112 -27.1997 -27.1997 -16.2113 -16.2113 -16.1098 -16.1098 -10.0688 -10.0688 -9.9928 -9.9928 -9.1215 -9.1215 -8.9879 -8.9879 -8.8547 -8.8547 -8.8478 -8.8478 -7.5369 -7.5369 -7.4772 -7.4772 1.9361 1.9361 2.0904 2.0904 2.1085 2.1085 2.1447 2.1447 2.2648 2.2648 2.3960 2.3960 3.2250 3.2250 3.2637 3.2637 3.9431 3.9431 4.1224 4.1224 4.4407 4.4407 4.4973 4.4973 11.8113 11.8113 11.9461 11.9461 12.8496 12.8496 12.8816 12.8816 12.9758 12.9758 k = 0.0000 0.4231 0.2965 ( 4790 PWs) bands (ev): -27.2101 -27.2101 -27.2002 -27.2002 -16.2054 -16.2054 -16.1181 -16.1181 -10.0643 -10.0643 -9.9983 -9.9983 -9.1142 -9.1142 -8.9975 -8.9975 -8.8560 -8.8560 -8.8505 -8.8505 -7.5276 -7.5276 -7.4761 -7.4761 1.9501 1.9501 2.0917 2.0917 2.1075 2.1075 2.1595 2.1595 2.2407 2.2407 2.3766 2.3766 3.2298 3.2298 3.2613 3.2613 3.9527 3.9527 4.1065 4.1065 4.4412 4.4412 4.4919 4.4919 11.8175 11.8175 11.9384 11.9384 12.8781 12.8781 12.9011 12.9011 12.9871 12.9871 k = 0.0000 0.4359 0.2965 ( 4782 PWs) bands (ev): -27.2090 -27.2090 -27.2008 -27.2008 -16.1993 -16.1993 -16.1264 -16.1264 -10.0595 -10.0595 -10.0039 -10.0039 -9.1062 -9.1062 -9.0075 -9.0075 -8.8572 -8.8572 -8.8527 -8.8527 -7.5189 -7.5189 -7.4758 -7.4758 1.9644 1.9644 2.0885 2.0885 2.1095 2.1095 2.1746 2.1746 2.2191 2.2191 2.3573 2.3573 3.2344 3.2344 3.2593 3.2593 3.9628 3.9628 4.0911 4.0911 4.4424 4.4424 4.4862 4.4862 11.8248 11.8248 11.9295 11.9295 12.9043 12.9043 12.9229 12.9229 12.9948 12.9948 k = 0.0000 0.4487 0.2965 ( 4780 PWs) bands (ev): -27.2080 -27.2080 -27.2014 -27.2014 -16.1930 -16.1930 -16.1345 -16.1345 -10.0545 -10.0545 -10.0096 -10.0096 -9.0977 -9.0977 -9.0177 -9.0177 -8.8581 -8.8581 -8.8544 -8.8544 -7.5109 -7.5109 -7.4763 -7.4763 1.9790 1.9790 2.0819 2.0819 2.1137 2.1137 2.1862 2.1862 2.2039 2.2039 2.3381 2.3381 3.2385 3.2385 3.2576 3.2576 3.9734 3.9734 4.0760 4.0760 4.4443 4.4443 4.4804 4.4804 11.8332 11.8332 11.9195 11.9195 12.9240 12.9240 12.9502 12.9502 13.0008 13.0008 k = 0.0000 0.4615 0.2965 ( 4772 PWs) bands (ev): -27.2070 -27.2070 -27.2020 -27.2020 -16.1864 -16.1864 -16.1425 -16.1425 -10.0493 -10.0493 -10.0153 -10.0153 -9.0887 -9.0887 -9.0282 -9.0282 -8.8587 -8.8587 -8.8558 -8.8558 -7.5037 -7.5037 -7.4777 -7.4777 1.9938 1.9938 2.0731 2.0731 2.1190 2.1190 2.1774 2.1774 2.2121 2.2121 2.3191 2.3191 3.2422 3.2422 3.2560 3.2560 3.9845 3.9845 4.0615 4.0615 4.4469 4.4469 4.4746 4.4746 11.8425 11.8425 11.9087 11.9087 12.9392 12.9392 12.9743 12.9743 13.0116 13.0116 k = 0.0000 0.4744 0.2965 ( 4784 PWs) bands (ev): -27.2061 -27.2061 -27.2028 -27.2028 -16.1796 -16.1796 -16.1503 -16.1503 -10.0439 -10.0439 -10.0211 -10.0211 -9.0793 -9.0793 -9.0387 -9.0387 -8.8590 -8.8590 -8.8570 -8.8570 -7.4973 -7.4973 -7.4799 -7.4799 2.0085 2.0085 2.0626 2.0626 2.1252 2.1252 2.1634 2.1634 2.2284 2.2284 2.3004 2.3004 3.2454 3.2454 3.2544 3.2544 3.9960 3.9960 4.0474 4.0474 4.4502 4.4502 4.4690 4.4690 11.8526 11.8526 11.8975 11.8975 12.9522 12.9522 12.9819 12.9819 13.0390 13.0390 k = 0.0000 0.4872 0.2965 ( 4788 PWs) bands (ev): -27.2052 -27.2052 -27.2035 -27.2035 -16.1726 -16.1726 -16.1579 -16.1579 -10.0383 -10.0383 -10.0269 -10.0269 -9.0696 -9.0696 -9.0491 -9.0491 -8.8589 -8.8589 -8.8579 -8.8579 -7.4917 -7.4917 -7.4830 -7.4830 2.0231 2.0231 2.0505 2.0505 2.1323 2.1323 2.1511 2.1511 2.2457 2.2457 2.2819 2.2819 3.2482 3.2482 3.2526 3.2526 4.0081 4.0081 4.0338 4.0338 4.4542 4.4542 4.4636 4.4636 11.8634 11.8634 11.8860 11.8860 12.9633 12.9633 12.9792 12.9792 13.0763 13.0763 k = 0.0000 0.5000 0.2965 ( 4780 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1653 -16.1653 -16.1653 -16.1653 -10.0326 -10.0326 -10.0326 -10.0326 -9.0595 -9.0595 -9.0595 -9.0595 -8.8585 -8.8585 -8.8585 -8.8585 -7.4869 -7.4869 -7.4869 -7.4869 2.0372 2.0372 2.0372 2.0372 2.1409 2.1409 2.1409 2.1409 2.2636 2.2636 2.2636 2.2636 3.2506 3.2506 3.2506 3.2506 4.0207 4.0207 4.0207 4.0207 4.4586 4.4586 4.4586 4.4586 11.8746 11.8746 11.8746 11.8746 12.9725 12.9725 12.9725 12.9725 13.1173 13.1173 k = 0.0000 0.5000 0.2965 ( 4780 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1653 -16.1653 -16.1653 -16.1653 -10.0326 -10.0326 -10.0326 -10.0326 -9.0595 -9.0595 -9.0595 -9.0595 -8.8585 -8.8585 -8.8585 -8.8585 -7.4869 -7.4869 -7.4869 -7.4869 2.0372 2.0372 2.0372 2.0372 2.1409 2.1409 2.1409 2.1409 2.2636 2.2636 2.2636 2.2636 3.2506 3.2506 3.2506 3.2506 4.0207 4.0207 4.0207 4.0207 4.4586 4.4586 4.4586 4.4586 11.8746 11.8746 11.8746 11.8746 12.9725 12.9725 12.9725 12.9725 13.1173 13.1173 k = 0.0128 0.5000 0.2965 ( 4780 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1656 -16.1656 -16.1652 -16.1652 -10.0361 -10.0361 -10.0291 -10.0291 -9.0597 -9.0597 -9.0591 -9.0591 -8.8619 -8.8619 -8.8550 -8.8550 -7.4873 -7.4873 -7.4871 -7.4871 2.0347 2.0347 2.0373 2.0373 2.1283 2.1283 2.1389 2.1389 2.2690 2.2690 2.2770 2.2770 3.2501 3.2501 3.2513 3.2513 4.0179 4.0179 4.0221 4.0221 4.4567 4.4567 4.4596 4.4596 11.8763 11.8763 11.8772 11.8772 12.9717 12.9717 12.9756 12.9756 13.1160 13.1160 k = 0.0256 0.5000 0.2965 ( 4788 PWs) bands (ev): -27.2042 -27.2042 -27.2042 -27.2042 -16.1660 -16.1660 -16.1653 -16.1653 -10.0396 -10.0396 -10.0255 -10.0255 -9.0598 -9.0598 -9.0585 -9.0585 -8.8651 -8.8651 -8.8513 -8.8513 -7.4884 -7.4884 -7.4880 -7.4880 2.0288 2.0288 2.0339 2.0339 2.1091 2.1091 2.1262 2.1262 2.2900 2.2900 2.3022 2.3022 3.2499 3.2499 3.2521 3.2521 4.0138 4.0138 4.0221 4.0221 4.4537 4.4537 4.4595 4.4595 11.8824 11.8824 11.8843 11.8843 12.9730 12.9730 12.9809 12.9809 13.1164 13.1164 k = 0.0385 0.5000 0.2965 ( 4788 PWs) bands (ev): -27.2041 -27.2041 -27.2041 -27.2041 -16.1666 -16.1666 -16.1655 -16.1655 -10.0430 -10.0430 -10.0219 -10.0219 -9.0597 -9.0597 -9.0576 -9.0576 -8.8680 -8.8680 -8.8477 -8.8477 -7.4902 -7.4902 -7.4896 -7.4896 2.0176 2.0176 2.0237 2.0237 2.0928 2.0928 2.1126 2.1126 2.3189 2.3189 2.3328 2.3328 3.2498 3.2498 3.2532 3.2532 4.0083 4.0083 4.0207 4.0207 4.4497 4.4497 4.4584 4.4584 11.8929 11.8929 11.8957 11.8957 12.9764 12.9764 12.9885 12.9885 13.1186 13.1186 k = 0.0513 0.5000 0.2965 ( 4780 PWs) bands (ev): -27.2040 -27.2040 -27.2040 -27.2040 -16.1673 -16.1673 -16.1659 -16.1659 -10.0463 -10.0463 -10.0184 -10.0184 -9.0597 -9.0597 -9.0564 -9.0564 -8.8705 -8.8705 -8.8440 -8.8440 -7.4925 -7.4925 -7.4917 -7.4917 1.9997 1.9997 2.0043 2.0043 2.0849 2.0849 2.1039 2.1039 2.3511 2.3511 2.3659 2.3659 3.2500 3.2500 3.2543 3.2543 4.0016 4.0016 4.0181 4.0181 4.4448 4.4448 4.4563 4.4563 11.9076 11.9076 11.9113 11.9113 12.9818 12.9818 12.9980 12.9980 13.1226 13.1226 k = 0.0641 0.5000 0.2965 ( 4768 PWs) bands (ev): -27.2038 -27.2038 -27.2038 -27.2038 -16.1681 -16.1681 -16.1665 -16.1665 -10.0494 -10.0494 -10.0149 -10.0149 -9.0597 -9.0597 -9.0549 -9.0549 -8.8727 -8.8727 -8.8405 -8.8405 -7.4955 -7.4955 -7.4945 -7.4945 1.9761 1.9761 1.9782 1.9782 2.0840 2.0840 2.1010 2.1010 2.3848 2.3848 2.4001 2.4001 3.2502 3.2502 3.2556 3.2556 3.9938 3.9938 4.0143 4.0143 4.4389 4.4389 4.4532 4.4532 11.9265 11.9265 11.9311 11.9311 12.9890 12.9890 13.0094 13.0094 13.1285 13.1285 k = 0.0769 0.5000 0.2965 ( 4772 PWs) bands (ev): -27.2035 -27.2035 -27.2035 -27.2035 -16.1691 -16.1691 -16.1672 -16.1672 -10.0525 -10.0525 -10.0114 -10.0114 -9.0597 -9.0597 -9.0531 -9.0531 -8.8743 -8.8743 -8.8371 -8.8371 -7.4992 -7.4992 -7.4979 -7.4979 1.9491 1.9491 1.9491 1.9491 2.0873 2.0873 2.1024 2.1024 2.4189 2.4189 2.4347 2.4347 3.2505 3.2505 3.2569 3.2569 3.9850 3.9850 4.0096 4.0096 4.4322 4.4322 4.4492 4.4492 11.9493 11.9493 11.9548 11.9548 12.9977 12.9977 13.0224 13.0224 13.1366 13.1366 k = 0.0897 0.5000 0.2965 ( 4768 PWs) bands (ev): -27.2033 -27.2033 -27.2033 -27.2033 -16.1703 -16.1703 -16.1680 -16.1680 -10.0554 -10.0554 -10.0080 -10.0080 -9.0598 -9.0598 -9.0509 -9.0509 -8.8754 -8.8754 -8.8338 -8.8338 -7.5034 -7.5034 -7.5020 -7.5020 1.9191 1.9191 1.9204 1.9204 2.0929 2.0929 2.1069 2.1069 2.4529 2.4529 2.4691 2.4691 3.2508 3.2508 3.2581 3.2581 3.9754 3.9754 4.0040 4.0040 4.4246 4.4246 4.4444 4.4444 11.9760 11.9760 11.9824 11.9824 13.0078 13.0078 13.0365 13.0365 13.1471 13.1471 k = 0.1026 0.5000 0.2965 ( 4776 PWs) bands (ev): -27.2030 -27.2030 -27.2030 -27.2030 -16.1715 -16.1715 -16.1690 -16.1690 -10.0582 -10.0582 -10.0047 -10.0047 -9.0600 -9.0600 -9.0483 -9.0483 -8.8760 -8.8760 -8.8308 -8.8308 -7.5083 -7.5083 -7.5066 -7.5066 1.8891 1.8891 1.8913 1.8913 2.1002 2.1002 2.1134 2.1134 2.4865 2.4865 2.5032 2.5032 3.2510 3.2510 3.2591 3.2591 3.9653 3.9653 3.9978 3.9978 4.4163 4.4163 4.4387 4.4387 12.0063 12.0063 12.0137 12.0137 13.0189 13.0189 13.0512 13.0512 13.1605 13.1605 k = 0.1154 0.5000 0.2965 ( 4780 PWs) bands (ev): -27.2026 -27.2026 -27.2026 -27.2026 -16.1729 -16.1729 -16.1701 -16.1701 -10.0607 -10.0607 -10.0016 -10.0016 -9.0603 -9.0603 -9.0453 -9.0453 -8.8760 -8.8760 -8.8281 -8.8281 -7.5137 -7.5137 -7.5118 -7.5118 1.8596 1.8596 1.8624 1.8624 2.1088 2.1088 2.1215 2.1215 2.5194 2.5194 2.5365 2.5365 3.2510 3.2510 3.2598 3.2598 3.9548 3.9548 3.9912 3.9912 4.4073 4.4073 4.4322 4.4322 12.0400 12.0400 12.0483 12.0483 13.0309 13.0309 13.0660 13.0660 13.1770 13.1770 k = 0.1282 0.5000 0.2965 ( 4784 PWs) bands (ev): -27.2022 -27.2022 -27.2022 -27.2022 -16.1744 -16.1744 -16.1714 -16.1714 -10.0631 -10.0631 -9.9985 -9.9985 -9.0607 -9.0607 -9.0420 -9.0420 -8.8753 -8.8753 -8.8256 -8.8256 -7.5196 -7.5196 -7.5175 -7.5175 1.8308 1.8308 1.8340 1.8340 2.1185 2.1185 2.1310 2.1310 2.5514 2.5514 2.5690 2.5690 3.2505 3.2505 3.2600 3.2600 3.9443 3.9443 3.9844 3.9844 4.3977 4.3977 4.4251 4.4251 12.0768 12.0768 12.0860 12.0860 13.0435 13.0435 13.0803 13.0803 13.1971 13.1971 k = 0.1410 0.5000 0.2965 ( 4780 PWs) bands (ev): -27.2018 -27.2018 -27.2018 -27.2018 -16.1760 -16.1760 -16.1727 -16.1727 -10.0652 -10.0652 -9.9956 -9.9956 -9.0613 -9.0613 -9.0383 -9.0383 -8.8741 -8.8741 -8.8234 -8.8234 -7.5261 -7.5261 -7.5237 -7.5237 1.8031 1.8031 1.8065 1.8065 2.1292 2.1292 2.1415 2.1415 2.5824 2.5824 2.6004 2.6004 3.2496 3.2496 3.2596 3.2596 3.9340 3.9340 3.9779 3.9779 4.3876 4.3876 4.4173 4.4173 12.1164 12.1164 12.1266 12.1266 13.0564 13.0564 13.0940 13.0940 13.2209 13.2209 k = 0.1538 0.5000 0.2965 ( 4776 PWs) bands (ev): -27.2014 -27.2014 -27.2014 -27.2014 -16.1777 -16.1777 -16.1742 -16.1742 -10.0672 -10.0672 -9.9929 -9.9929 -9.0620 -9.0620 -9.0342 -9.0342 -8.8722 -8.8722 -8.8215 -8.8215 -7.5331 -7.5331 -7.5305 -7.5305 1.7764 1.7764 1.7799 1.7799 2.1407 2.1407 2.1529 2.1529 2.6121 2.6121 2.6305 2.6305 3.2480 3.2480 3.2584 3.2584 3.9242 3.9242 3.9717 3.9717 4.3770 4.3770 4.4090 4.4090 12.1585 12.1585 12.1696 12.1696 13.0697 13.0697 13.1070 13.1070 13.2480 13.2480 k = 0.1667 0.5000 0.2965 ( 4764 PWs) bands (ev): -27.2009 -27.2009 -27.2009 -27.2009 -16.1795 -16.1795 -16.1758 -16.1758 -10.0688 -10.0688 -9.9904 -9.9904 -9.0627 -9.0627 -9.0298 -9.0298 -8.8698 -8.8698 -8.8199 -8.8199 -7.5406 -7.5406 -7.5377 -7.5377 1.7509 1.7509 1.7545 1.7545 2.1530 2.1530 2.1652 2.1652 2.6405 2.6405 2.6594 2.6594 3.2454 3.2454 3.2562 3.2562 3.9152 3.9152 3.9663 3.9663 4.3661 4.3661 4.4003 4.4003 12.2027 12.2027 12.2148 12.2148 13.0832 13.0832 13.1196 13.1196 13.2783 13.2783 k = 0.1795 0.5000 0.2965 ( 4772 PWs) bands (ev): -27.2004 -27.2004 -27.2004 -27.2004 -16.1813 -16.1813 -16.1775 -16.1775 -10.0703 -10.0703 -9.9880 -9.9880 -9.0635 -9.0635 -9.0251 -9.0251 -8.8669 -8.8669 -8.8186 -8.8186 -7.5484 -7.5484 -7.5453 -7.5453 1.7267 1.7267 1.7302 1.7302 2.1659 2.1659 2.1780 2.1780 2.6676 2.6676 2.6867 2.6867 3.2418 3.2418 3.2527 3.2527 3.9074 3.9074 3.9618 3.9618 4.3549 4.3549 4.3912 4.3912 12.2487 12.2487 12.2618 12.2618 13.0970 13.0970 13.1319 13.1319 13.3112 13.3112 k = 0.1923 0.5000 0.2965 ( 4776 PWs) bands (ev): -27.1999 -27.1999 -27.1999 -27.1999 -16.1832 -16.1832 -16.1793 -16.1793 -10.0714 -10.0714 -9.9859 -9.9859 -9.0643 -9.0643 -9.0201 -9.0201 -8.8634 -8.8634 -8.8176 -8.8176 -7.5567 -7.5567 -7.5533 -7.5533 1.7038 1.7038 1.7072 1.7072 2.1793 2.1793 2.1915 2.1915 2.6931 2.6931 2.7126 2.7126 3.2369 3.2369 3.2480 3.2480 3.9009 3.9009 3.9586 3.9586 4.3434 4.3434 4.3818 4.3818 12.2960 12.2960 12.3101 12.3101 13.1111 13.1111 13.1444 13.1444 13.3461 13.3461 k = 0.2051 0.5000 0.2965 ( 4768 PWs) bands (ev): -27.1994 -27.1994 -27.1994 -27.1994 -16.1852 -16.1852 -16.1811 -16.1811 -10.0723 -10.0723 -9.9841 -9.9841 -9.0650 -9.0650 -9.0149 -9.0149 -8.8596 -8.8596 -8.8169 -8.8169 -7.5653 -7.5653 -7.5617 -7.5617 1.6823 1.6823 1.6855 1.6855 2.1932 2.1932 2.2053 2.2053 2.7173 2.7173 2.7370 2.7370 3.2306 3.2306 3.2417 3.2417 3.8961 3.8961 3.9567 3.9567 4.3319 4.3319 4.3722 4.3722 12.3441 12.3441 12.3592 12.3592 13.1258 13.1258 13.1574 13.1574 13.3825 13.3825 k = 0.2179 0.5000 0.2965 ( 4772 PWs) bands (ev): -27.1989 -27.1989 -27.1989 -27.1989 -16.1871 -16.1871 -16.1830 -16.1830 -10.0729 -10.0729 -9.9825 -9.9825 -9.0655 -9.0655 -9.0096 -9.0096 -8.8553 -8.8553 -8.8165 -8.8165 -7.5742 -7.5742 -7.5704 -7.5704 1.6621 1.6621 1.6651 1.6651 2.2075 2.2075 2.2195 2.2195 2.7399 2.7399 2.7597 2.7597 3.2227 3.2227 3.2339 3.2339 3.8930 3.8930 3.9564 3.9564 4.3204 4.3204 4.3626 4.3626 12.3925 12.3925 12.4087 12.4087 13.1412 13.1412 13.1711 13.1711 13.4196 13.4196 k = 0.2308 0.5000 0.2965 ( 4776 PWs) bands (ev): -27.1983 -27.1983 -27.1983 -27.1983 -16.1891 -16.1891 -16.1849 -16.1849 -10.0732 -10.0732 -9.9811 -9.9811 -9.0660 -9.0660 -9.0042 -9.0042 -8.8507 -8.8507 -8.8163 -8.8163 -7.5834 -7.5834 -7.5793 -7.5793 1.6433 1.6433 1.6462 1.6462 2.2219 2.2219 2.2339 2.2339 2.7610 2.7610 2.7809 2.7809 3.2133 3.2133 3.2245 3.2245 3.8918 3.8918 3.9576 3.9576 4.3089 4.3089 4.3529 4.3529 12.4408 12.4408 12.4580 12.4580 13.1576 13.1576 13.1858 13.1858 13.4565 13.4565 k = 0.2436 0.5000 0.2965 ( 4768 PWs) bands (ev): -27.1978 -27.1978 -27.1978 -27.1978 -16.1911 -16.1911 -16.1869 -16.1869 -10.0732 -10.0732 -9.9801 -9.9801 -9.0662 -9.0662 -8.9987 -8.9987 -8.8458 -8.8458 -8.8162 -8.8162 -7.5928 -7.5928 -7.5884 -7.5884 1.6259 1.6259 1.6285 1.6285 2.2365 2.2365 2.2484 2.2484 2.7807 2.7807 2.8006 2.8006 3.2024 3.2024 3.2136 3.2136 3.8925 3.8925 3.9605 3.9605 4.2975 4.2975 4.3432 4.3432 12.4883 12.4883 12.5065 12.5065 13.1753 13.1753 13.2019 13.2019 13.4920 13.4920 k = 0.2564 0.5000 0.2965 ( 4772 PWs) bands (ev): -27.1972 -27.1972 -27.1972 -27.1972 -16.1931 -16.1931 -16.1889 -16.1889 -10.0729 -10.0729 -9.9794 -9.9794 -9.0662 -9.0662 -8.9934 -8.9934 -8.8407 -8.8407 -8.8163 -8.8163 -7.6023 -7.6023 -7.5978 -7.5978 1.6099 1.6099 1.6123 1.6123 2.2511 2.2511 2.2629 2.2629 2.7990 2.7990 2.8188 2.8188 3.1899 3.1899 3.2012 3.2012 3.8951 3.8951 3.9648 3.9648 4.2864 4.2864 4.3337 4.3337 12.5346 12.5346 12.5536 12.5536 13.1945 13.1945 13.2195 13.2195 13.5246 13.5246 k = 0.2692 0.5000 0.2965 ( 4780 PWs) bands (ev): -27.1967 -27.1967 -27.1967 -27.1967 -16.1951 -16.1951 -16.1909 -16.1909 -10.0723 -10.0723 -9.9789 -9.9789 -9.0660 -9.0660 -8.9882 -8.9882 -8.8355 -8.8355 -8.8164 -8.8164 -7.6119 -7.6119 -7.6072 -7.6072 1.5952 1.5952 1.5973 1.5973 2.2656 2.2656 2.2772 2.2772 2.8159 2.8159 2.8355 2.8355 3.1762 3.1762 3.1874 3.1874 3.8993 3.8993 3.9705 3.9705 4.2756 4.2756 4.3244 4.3244 12.5790 12.5790 12.5989 12.5989 13.2152 13.2152 13.2386 13.2386 13.5528 13.5528 k = 0.2821 0.5000 0.2965 ( 4768 PWs) bands (ev): -27.1961 -27.1961 -27.1961 -27.1961 -16.1971 -16.1971 -16.1929 -16.1929 -10.0714 -10.0714 -9.9788 -9.9788 -9.0654 -9.0654 -8.9834 -8.9834 -8.8302 -8.8302 -8.8164 -8.8164 -7.6216 -7.6216 -7.6167 -7.6167 1.5819 1.5819 1.5837 1.5837 2.2799 2.2799 2.2913 2.2913 2.8316 2.8316 2.8509 2.8509 3.1613 3.1613 3.1726 3.1726 3.9051 3.9051 3.9774 3.9774 4.2653 4.2653 4.3153 4.3153 12.6212 12.6212 12.6417 12.6417 13.2373 13.2373 13.2590 13.2590 13.5756 13.5756 k = 0.2949 0.5000 0.2965 ( 4776 PWs) bands (ev): -27.1956 -27.1956 -27.1956 -27.1956 -16.1990 -16.1990 -16.1949 -16.1949 -10.0702 -10.0702 -9.9790 -9.9790 -9.0645 -9.0645 -8.9789 -8.9789 -8.8249 -8.8249 -8.8163 -8.8163 -7.6311 -7.6311 -7.6261 -7.6261 1.5698 1.5698 1.5714 1.5714 2.2938 2.2938 2.3051 2.3051 2.8460 2.8460 2.8650 2.8650 3.1455 3.1455 3.1568 3.1568 3.9122 3.9122 3.9851 3.9851 4.2553 4.2553 4.3065 4.3065 12.6608 12.6608 12.6817 12.6817 13.2602 13.2602 13.2799 13.2799 13.5932 13.5932 k = 0.3077 0.5000 0.2965 ( 4776 PWs) bands (ev): -27.1951 -27.1951 -27.1951 -27.1951 -16.2008 -16.2008 -16.1969 -16.1969 -10.0687 -10.0687 -9.9795 -9.9795 -9.0632 -9.0632 -8.9751 -8.9751 -8.8196 -8.8196 -8.8160 -8.8160 -7.6406 -7.6406 -7.6355 -7.6355 1.5590 1.5590 1.5603 1.5603 2.3074 2.3074 2.3184 2.3184 2.8593 2.8593 2.8778 2.8778 3.1290 3.1290 3.1404 3.1404 3.9203 3.9203 3.9936 3.9936 4.2460 4.2460 4.2981 4.2981 12.6976 12.6976 12.7188 12.7188 13.2829 13.2829 13.3003 13.3003 13.6051 13.6051 k = 0.3205 0.5000 0.2965 ( 4776 PWs) bands (ev): -27.1946 -27.1946 -27.1946 -27.1946 -16.2026 -16.2026 -16.1988 -16.1988 -10.0669 -10.0669 -9.9804 -9.9804 -9.0616 -9.0616 -8.9718 -8.9718 -8.8154 -8.8154 -8.8144 -8.8144 -7.6499 -7.6499 -7.6448 -7.6448 1.5493 1.5493 1.5505 1.5505 2.3205 2.3205 2.3311 2.3311 2.8714 2.8714 2.8895 2.8895 3.1122 3.1122 3.1236 3.1236 3.9293 3.9293 4.0024 4.0024 4.2373 4.2373 4.2900 4.2900 12.7316 12.7316 12.7527 12.7527 13.3034 13.3034 13.3182 13.3182 13.6163 13.6163 k = 0.3333 0.5000 0.2965 ( 4788 PWs) bands (ev): -27.1941 -27.1941 -27.1941 -27.1941 -16.2043 -16.2043 -16.2007 -16.2007 -10.0648 -10.0648 -9.9815 -9.9815 -9.0596 -9.0596 -8.9694 -8.9694 -8.8144 -8.8144 -8.8094 -8.8094 -7.6590 -7.6590 -7.6539 -7.6539 1.5408 1.5408 1.5417 1.5417 2.3330 2.3330 2.3432 2.3432 2.8825 2.8825 2.9002 2.9002 3.0952 3.0952 3.1067 3.1067 3.9388 3.9388 4.0114 4.0114 4.2293 4.2293 4.2824 4.2824 12.7629 12.7629 12.7837 12.7837 13.3197 13.3197 13.3316 13.3316 13.6313 13.6313 k = 0.3462 0.5000 0.2965 ( 4788 PWs) bands (ev): -27.1936 -27.1936 -27.1936 -27.1936 -16.2059 -16.2059 -16.2025 -16.2025 -10.0625 -10.0625 -9.9830 -9.9830 -9.0572 -9.0572 -8.9677 -8.9677 -8.8130 -8.8130 -8.8045 -8.8045 -7.6678 -7.6678 -7.6627 -7.6627 1.5334 1.5334 1.5341 1.5341 2.3448 2.3448 2.3546 2.3546 2.8925 2.8925 2.9098 2.9098 3.0785 3.0785 3.0900 3.0900 3.9487 3.9487 4.0201 4.0201 4.2222 4.2222 4.2752 4.2752 12.7917 12.7917 12.8121 12.8121 13.3297 13.3297 13.3389 13.3389 13.6529 13.6529 k = 0.3590 0.5000 0.2965 ( 4788 PWs) bands (ev): -27.1932 -27.1932 -27.1932 -27.1932 -16.2074 -16.2074 -16.2042 -16.2042 -10.0599 -10.0599 -9.9848 -9.9848 -9.0545 -9.0545 -8.9670 -8.9670 -8.8111 -8.8111 -8.8000 -8.8000 -7.6761 -7.6761 -7.6712 -7.6712 1.5269 1.5269 1.5274 1.5274 2.3559 2.3559 2.3651 2.3651 2.9016 2.9016 2.9184 2.9184 3.0621 3.0621 3.0738 3.0738 3.9588 3.9588 4.0284 4.0284 4.2160 4.2160 4.2684 4.2684 12.8184 12.8184 12.8382 12.8382 13.3323 13.3323 13.3392 13.3392 13.6824 13.6824 k = 0.3718 0.5000 0.2965 ( 4792 PWs) bands (ev): -27.1928 -27.1928 -27.1928 -27.1928 -16.2088 -16.2088 -16.2058 -16.2058 -10.0570 -10.0570 -9.9869 -9.9869 -9.0513 -9.0513 -8.9672 -8.9672 -8.8088 -8.8088 -8.7958 -8.7958 -7.6840 -7.6840 -7.6792 -7.6792 1.5213 1.5213 1.5217 1.5217 2.3661 2.3661 2.3748 2.3748 2.9097 2.9097 2.9261 2.9261 3.0465 3.0465 3.0582 3.0582 3.9688 3.9688 4.0359 4.0359 4.2109 4.2109 4.2621 4.2621 12.8435 12.8435 12.8624 12.8624 13.3279 13.3279 13.3332 13.3332 13.7195 13.7195 k = 0.3846 0.5000 0.2965 ( 4796 PWs) bands (ev): -27.1924 -27.1924 -27.1924 -27.1924 -16.2101 -16.2101 -16.2073 -16.2073 -10.0539 -10.0539 -9.9893 -9.9893 -9.0478 -9.0478 -8.9683 -8.9683 -8.8061 -8.8061 -8.7920 -8.7920 -7.6914 -7.6914 -7.6868 -7.6868 1.5166 1.5166 1.5168 1.5168 2.3755 2.3755 2.3836 2.3836 2.9169 2.9169 2.9329 2.9329 3.0318 3.0318 3.0436 3.0436 3.9786 3.9786 4.0424 4.0424 4.2069 4.2069 4.2562 4.2562 12.8672 12.8672 12.8851 12.8851 13.3177 13.3177 13.3220 13.3220 13.7628 13.7628 k = 0.3974 0.5000 0.2965 ( 4788 PWs) bands (ev): -27.1920 -27.1920 -27.1920 -27.1920 -16.2112 -16.2112 -16.2087 -16.2087 -10.0507 -10.0507 -9.9919 -9.9919 -9.0440 -9.0440 -8.9702 -8.9702 -8.8031 -8.8031 -8.7886 -8.7886 -7.6981 -7.6981 -7.6939 -7.6939 1.5126 1.5126 1.5127 1.5127 2.3840 2.3840 2.3914 2.3914 2.9231 2.9231 2.9387 2.9387 3.0183 3.0183 3.0302 3.0302 3.9881 3.9881 4.0478 4.0478 4.2041 4.2041 4.2507 4.2507 12.8898 12.8898 12.9067 12.9067 13.3031 13.3031 13.3070 13.3070 13.8107 13.8107 k = 0.4103 0.5000 0.2965 ( 4800 PWs) bands (ev): -27.1917 -27.1917 -27.1917 -27.1917 -16.2122 -16.2122 -16.2100 -16.2100 -10.0472 -10.0472 -9.9948 -9.9948 -9.0398 -9.0398 -8.9728 -8.9728 -8.7999 -8.7999 -8.7857 -8.7857 -7.7042 -7.7042 -7.7003 -7.7003 1.5093 1.5093 1.5093 1.5093 2.3916 2.3916 2.3982 2.3982 2.9284 2.9284 2.9436 2.9436 3.0062 3.0062 3.0182 3.0182 3.9972 3.9972 4.0518 4.0518 4.2025 4.2025 4.2455 4.2455 12.9117 12.9117 12.9275 12.9275 13.2855 13.2855 13.2892 13.2892 13.8613 13.8613 k = 0.4231 0.5000 0.2965 ( 4800 PWs) bands (ev): -27.1915 -27.1915 -27.1915 -27.1915 -16.2131 -16.2131 -16.2112 -16.2112 -10.0436 -10.0436 -9.9979 -9.9979 -9.0354 -9.0354 -8.9761 -8.9761 -8.7966 -8.7966 -8.7833 -8.7833 -7.7096 -7.7096 -7.7061 -7.7061 1.5066 1.5066 1.5067 1.5067 2.3982 2.3982 2.4040 2.4040 2.9327 2.9327 2.9473 2.9473 2.9958 2.9958 3.0077 3.0077 4.0058 4.0058 4.0544 4.0544 4.2021 4.2021 4.2407 4.2407 12.9329 12.9329 12.9474 12.9474 13.2661 13.2661 13.2698 13.2698 13.9132 13.9132 k = 0.4359 0.5000 0.2965 ( 4796 PWs) bands (ev): -27.1912 -27.1912 -27.1912 -27.1912 -16.2138 -16.2138 -16.2122 -16.2122 -10.0398 -10.0398 -10.0013 -10.0013 -9.0307 -9.0307 -8.9800 -8.9800 -8.7934 -8.7934 -8.7815 -8.7815 -7.7142 -7.7142 -7.7112 -7.7112 1.5044 1.5044 1.5045 1.5045 2.4039 2.4039 2.4089 2.4089 2.9360 2.9360 2.9498 2.9498 2.9875 2.9875 2.9990 2.9990 4.0138 4.0138 4.0556 4.0556 4.2027 4.2027 4.2361 4.2361 12.9535 12.9535 12.9667 12.9667 13.2458 13.2458 13.2496 13.2496 13.9645 13.9645 k = 0.4487 0.5000 0.2965 ( 4804 PWs) bands (ev): -27.1910 -27.1910 -27.1910 -27.1910 -16.2144 -16.2144 -16.2131 -16.2131 -10.0360 -10.0360 -10.0048 -10.0048 -9.0257 -9.0257 -8.9844 -8.9844 -8.7903 -8.7903 -8.7802 -8.7802 -7.7179 -7.7179 -7.7155 -7.7155 1.5027 1.5027 1.5028 1.5028 2.4086 2.4086 2.4127 2.4127 2.9385 2.9385 2.9506 2.9506 2.9817 2.9817 2.9920 2.9920 4.0213 4.0213 4.0556 4.0556 4.2042 4.2042 4.2317 4.2317 12.9733 12.9733 12.9848 12.9848 13.2256 13.2256 13.2296 13.2296 14.0135 14.0135 k = 0.4615 0.5000 0.2965 ( 4804 PWs) bands (ev): -27.1909 -27.1909 -27.1909 -27.1909 -16.2148 -16.2148 -16.2138 -16.2138 -10.0320 -10.0320 -10.0084 -10.0084 -9.0206 -9.0206 -8.9891 -8.9891 -8.7874 -8.7874 -8.7796 -8.7796 -7.7208 -7.7208 -7.7189 -7.7189 1.5015 1.5015 1.5016 1.5016 2.4124 2.4124 2.4155 2.4155 2.9402 2.9402 2.9499 2.9499 2.9785 2.9785 2.9868 2.9868 4.0281 4.0281 4.0543 4.0543 4.2065 4.2065 4.2276 4.2276 12.9917 12.9917 13.0014 13.0014 13.2068 13.2068 13.2107 13.2107 14.0578 14.0578 k = 0.4744 0.5000 0.2965 ( 4800 PWs) bands (ev): -27.1908 -27.1908 -27.1908 -27.1908 -16.2150 -16.2150 -16.2144 -16.2144 -10.0281 -10.0281 -10.0122 -10.0122 -9.0153 -9.0153 -8.9941 -8.9941 -8.7849 -8.7849 -8.7795 -8.7795 -7.7228 -7.7228 -7.7215 -7.7215 1.5007 1.5007 1.5007 1.5007 2.4153 2.4153 2.4174 2.4174 2.9415 2.9415 2.9481 2.9481 2.9773 2.9773 2.9830 2.9830 4.0343 4.0343 4.0520 4.0520 4.2093 4.2093 4.2236 4.2236 13.0078 13.0078 13.0150 13.0150 13.1910 13.1910 13.1943 13.1943 14.0949 14.0949 k = 0.4872 0.5000 0.2965 ( 4804 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2151 -16.2151 -16.2148 -16.2148 -10.0241 -10.0241 -10.0161 -10.0161 -9.0100 -9.0100 -8.9993 -8.9993 -8.7828 -8.7828 -8.7801 -8.7801 -7.7239 -7.7239 -7.7232 -7.7232 1.5002 1.5002 1.5002 1.5002 2.4172 2.4172 2.4182 2.4182 2.9427 2.9427 2.9460 2.9460 2.9775 2.9775 2.9803 2.9803 4.0399 4.0399 4.0488 4.0488 4.2125 4.2125 4.2197 4.2197 13.0198 13.0198 13.0238 13.0238 13.1804 13.1804 13.1824 13.1824 14.1220 14.1220 k = 0.5000 0.5000 0.2965 ( 4800 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2150 -16.2150 -16.2150 -16.2150 -10.0201 -10.0201 -10.0201 -10.0201 -9.0046 -9.0046 -9.0046 -9.0046 -8.7811 -8.7811 -8.7811 -8.7811 -7.7240 -7.7240 -7.7240 -7.7240 1.5000 1.5000 1.5000 1.5000 2.4182 2.4182 2.4182 2.4182 2.9442 2.9442 2.9442 2.9442 2.9785 2.9785 2.9785 2.9785 4.0447 4.0447 4.0447 4.0447 4.2160 4.2160 4.2160 4.2160 13.0256 13.0256 13.0256 13.0256 13.1773 13.1773 13.1773 13.1773 14.1374 14.1374 k = 0.5000 0.5000 0.2965 ( 4800 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2150 -16.2150 -16.2150 -16.2150 -10.0201 -10.0201 -10.0201 -10.0201 -9.0046 -9.0046 -9.0046 -9.0046 -8.7811 -8.7811 -8.7811 -8.7811 -7.7240 -7.7240 -7.7240 -7.7240 1.5000 1.5000 1.5000 1.5000 2.4182 2.4182 2.4182 2.4182 2.9442 2.9442 2.9442 2.9442 2.9785 2.9785 2.9785 2.9785 4.0447 4.0447 4.0447 4.0447 4.2160 4.2160 4.2160 4.2160 13.0256 13.0256 13.0256 13.0256 13.1773 13.1773 13.1773 13.1773 14.1374 14.1374 k = 0.4907 0.4907 0.2965 ( 4804 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2152 -16.2152 -16.2147 -16.2147 -10.0242 -10.0242 -10.0160 -10.0160 -9.0101 -9.0101 -8.9992 -8.9992 -8.7828 -8.7828 -8.7800 -8.7800 -7.7239 -7.7239 -7.7232 -7.7232 1.4994 1.4994 1.5010 1.5010 2.4172 2.4172 2.4182 2.4182 2.9424 2.9424 2.9464 2.9464 2.9769 2.9769 2.9809 2.9809 4.0397 4.0397 4.0489 4.0489 4.2125 4.2125 4.2198 4.2198 13.0183 13.0183 13.0250 13.0250 13.1782 13.1782 13.1848 13.1848 14.1181 14.1181 k = 0.4815 0.4815 0.2965 ( 4800 PWs) bands (ev): -27.1908 -27.1908 -27.1907 -27.1907 -16.2154 -16.2154 -16.2140 -16.2140 -10.0283 -10.0283 -10.0120 -10.0120 -9.0157 -9.0157 -8.9938 -8.9938 -8.7851 -8.7851 -8.7794 -8.7794 -7.7229 -7.7229 -7.7213 -7.7213 1.4977 1.4977 1.5038 1.5038 2.4152 2.4152 2.4173 2.4173 2.9398 2.9398 2.9508 2.9508 2.9738 2.9738 2.9857 2.9857 4.0338 4.0338 4.0524 4.0524 4.2091 4.2091 4.2238 4.2238 13.0015 13.0015 13.0212 13.0212 13.1816 13.1816 13.2040 13.2040 14.0754 14.0754 k = 0.4722 0.4722 0.2965 ( 4796 PWs) bands (ev): -27.1910 -27.1910 -27.1907 -27.1907 -16.2157 -16.2157 -16.2128 -16.2128 -10.0324 -10.0324 -10.0081 -10.0081 -9.0212 -9.0212 -8.9884 -8.9884 -8.7879 -8.7879 -8.7793 -8.7793 -7.7211 -7.7211 -7.7183 -7.7183 1.4949 1.4949 1.5085 1.5085 2.4122 2.4122 2.4154 2.4154 2.9365 2.9365 2.9573 2.9573 2.9692 2.9692 2.9927 2.9927 4.0268 4.0268 4.0552 4.0552 4.2062 4.2062 4.2281 4.2281 12.9792 12.9792 13.0145 13.0145 13.1871 13.1871 13.2301 13.2301 14.0169 14.0169 k = 0.4630 0.4630 0.2965 ( 4800 PWs) bands (ev): -27.1913 -27.1913 -27.1908 -27.1908 -16.2162 -16.2162 -16.2111 -16.2111 -10.0366 -10.0366 -10.0042 -10.0042 -9.0269 -9.0269 -8.9831 -8.9831 -8.7912 -8.7912 -8.7797 -8.7797 -7.7187 -7.7187 -7.7142 -7.7142 1.4911 1.4911 1.5150 1.5150 2.4082 2.4082 2.4124 2.4124 2.9330 2.9330 2.9592 2.9592 2.9699 2.9699 3.0013 3.0013 4.0185 4.0185 4.0575 4.0575 4.2038 4.2038 4.2327 4.2327 12.9547 12.9547 13.0050 13.0050 13.1948 13.1948 13.2596 13.2596 13.9511 13.9511 k = 0.4537 0.4537 0.2965 ( 4798 PWs) bands (ev): -27.1917 -27.1917 -27.1908 -27.1908 -16.2168 -16.2168 -16.2090 -16.2090 -10.0408 -10.0408 -10.0003 -10.0003 -9.0326 -9.0326 -8.9779 -8.9779 -8.7950 -8.7950 -8.7804 -8.7804 -7.7157 -7.7157 -7.7091 -7.7091 1.4866 1.4866 1.5235 1.5235 2.4033 2.4033 2.4085 2.4085 2.9291 2.9291 2.9515 2.9515 2.9811 2.9811 3.0113 3.0113 4.0087 4.0087 4.0593 4.0593 4.2021 4.2021 4.2378 4.2378 12.9295 12.9295 12.9924 12.9924 13.2047 13.2047 13.2906 13.2906 13.8832 13.8832 k = 0.4444 0.4444 0.2965 ( 4786 PWs) bands (ev): -27.1921 -27.1921 -27.1909 -27.1909 -16.2175 -16.2175 -16.2064 -16.2064 -10.0450 -10.0450 -9.9965 -9.9965 -9.0383 -9.0383 -8.9727 -8.9727 -8.7991 -8.7991 -8.7815 -8.7815 -7.7121 -7.7121 -7.7031 -7.7031 1.4815 1.4815 1.5337 1.5337 2.3975 2.3975 2.4034 2.4034 2.9240 2.9240 2.9425 2.9425 2.9953 2.9953 3.0225 3.0225 3.9971 3.9971 4.0607 4.0607 4.2013 4.2013 4.2433 4.2433 12.9043 12.9043 12.9765 12.9765 13.2167 13.2167 13.3221 13.3221 13.8167 13.8167 k = 0.4352 0.4352 0.2965 ( 4782 PWs) bands (ev): -27.1926 -27.1926 -27.1910 -27.1910 -16.2184 -16.2184 -16.2034 -16.2034 -10.0493 -10.0493 -9.9928 -9.9928 -9.0441 -9.0441 -8.9675 -8.9675 -8.8036 -8.8036 -8.7829 -8.7829 -7.7080 -7.7080 -7.6963 -7.6963 1.4762 1.4762 1.5458 1.5458 2.3908 2.3908 2.3973 2.3973 2.9155 2.9155 2.9351 2.9351 3.0114 3.0114 3.0349 3.0349 3.9836 3.9836 4.0619 4.0619 4.2016 4.2016 4.2495 4.2495 12.8796 12.8796 12.9572 12.9572 13.2307 13.2307 13.3530 13.3530 13.7538 13.7538 k = 0.4259 0.4259 0.2965 ( 4784 PWs) bands (ev): -27.1932 -27.1932 -27.1910 -27.1910 -16.2193 -16.2193 -16.1999 -16.1999 -10.0535 -10.0535 -9.9891 -9.9891 -9.0500 -9.0500 -8.9624 -8.9624 -8.8084 -8.8084 -8.7846 -8.7846 -7.7035 -7.7035 -7.6887 -7.6887 1.4708 1.4708 1.5597 1.5597 2.3832 2.3832 2.3902 2.3902 2.9023 2.9023 2.9307 2.9307 3.0290 3.0290 3.0485 3.0485 3.9680 3.9680 4.0630 4.0630 4.2029 4.2029 4.2564 4.2564 12.8555 12.8555 12.9343 12.9343 13.2467 13.2467 13.3825 13.3825 13.6958 13.6958 k = 0.4167 0.4167 0.2965 ( 4784 PWs) bands (ev): -27.1939 -27.1939 -27.1911 -27.1911 -16.2204 -16.2204 -16.1960 -16.1960 -10.0577 -10.0577 -9.9855 -9.9855 -9.0560 -9.0560 -8.9575 -8.9575 -8.8132 -8.8132 -8.7864 -8.7864 -7.6988 -7.6988 -7.6805 -7.6805 1.4656 1.4656 1.5754 1.5754 2.3746 2.3746 2.3822 2.3822 2.8858 2.8858 2.9281 2.9281 3.0473 3.0473 3.0636 3.0636 3.9504 3.9504 4.0642 4.0642 4.2053 4.2053 4.2640 4.2640 12.8322 12.8322 12.9079 12.9079 13.2646 13.2646 13.4098 13.4098 13.6436 13.6436 k = 0.4074 0.4074 0.2965 ( 4780 PWs) bands (ev): -27.1946 -27.1946 -27.1912 -27.1912 -16.2216 -16.2216 -16.1917 -16.1917 -10.0619 -10.0619 -9.9820 -9.9820 -9.0619 -9.0619 -8.9526 -8.9526 -8.8179 -8.8179 -8.7885 -8.7885 -7.6938 -7.6938 -7.6718 -7.6718 1.4608 1.4608 1.5929 1.5929 2.3650 2.3650 2.3734 2.3734 2.8669 2.8669 2.9264 2.9264 3.0655 3.0655 3.0806 3.0806 3.9307 3.9307 4.0659 4.0659 4.2087 4.2087 4.2724 4.2724 12.8095 12.8095 12.8784 12.8784 13.2843 13.2843 13.4342 13.4342 13.5977 13.5977 k = 0.3981 0.3981 0.2965 ( 4784 PWs) bands (ev): -27.1954 -27.1954 -27.1913 -27.1913 -16.2229 -16.2229 -16.1870 -16.1870 -10.0661 -10.0661 -9.9785 -9.9785 -9.0680 -9.0680 -8.9480 -8.9480 -8.8225 -8.8225 -8.7906 -8.7906 -7.6888 -7.6888 -7.6628 -7.6628 1.4567 1.4567 1.6121 1.6121 2.3542 2.3542 2.3642 2.3642 2.8460 2.8460 2.9252 2.9252 3.0832 3.0832 3.0994 3.0994 3.9092 3.9092 4.0680 4.0680 4.2130 4.2130 4.2817 4.2817 12.7875 12.7875 12.8464 12.8464 13.3056 13.3056 13.4549 13.4549 13.5580 13.5580 k = 0.3889 0.3889 0.2965 ( 4792 PWs) bands (ev): -27.1963 -27.1963 -27.1915 -27.1915 -16.2243 -16.2243 -16.1819 -16.1819 -10.0702 -10.0702 -9.9752 -9.9752 -9.0741 -9.0741 -8.9435 -8.9435 -8.8268 -8.8268 -8.7927 -8.7927 -7.6837 -7.6837 -7.6536 -7.6536 1.4535 1.4535 1.6331 1.6331 2.3421 2.3421 2.3547 2.3547 2.8235 2.8235 2.9243 2.9243 3.1005 3.1005 3.1196 3.1196 3.8861 3.8861 4.0710 4.0710 4.2180 4.2180 4.2918 4.2918 12.7657 12.7657 12.8126 12.8126 13.3285 13.3285 13.4713 13.4713 13.5244 13.5244 k = 0.3796 0.3796 0.2965 ( 4784 PWs) bands (ev): -27.1972 -27.1972 -27.1916 -27.1916 -16.2259 -16.2259 -16.1764 -16.1764 -10.0742 -10.0742 -9.9719 -9.9719 -9.0802 -9.0802 -8.9393 -8.9393 -8.8307 -8.8307 -8.7949 -8.7949 -7.6788 -7.6788 -7.6442 -7.6442 1.4513 1.4513 1.6557 1.6557 2.3289 2.3289 2.3451 2.3451 2.7994 2.7994 2.9236 2.9236 3.1179 3.1179 3.1402 3.1402 3.8615 3.8615 4.0749 4.0749 4.2237 4.2237 4.3027 4.3027 12.7436 12.7436 12.7785 12.7785 13.3526 13.3526 13.4826 13.4826 13.4966 13.4966 k = 0.3704 0.3704 0.2965 ( 4786 PWs) bands (ev): -27.1982 -27.1982 -27.1917 -27.1917 -16.2274 -16.2274 -16.1705 -16.1705 -10.0782 -10.0782 -9.9687 -9.9687 -9.0863 -9.0863 -8.9355 -8.9355 -8.8340 -8.8340 -8.7970 -8.7970 -7.6741 -7.6741 -7.6348 -7.6348 1.4503 1.4503 1.6800 1.6800 2.3145 2.3145 2.3352 2.3352 2.7739 2.7739 2.9230 2.9230 3.1357 3.1357 3.1606 3.1606 3.8357 3.8357 4.0799 4.0799 4.2300 4.2300 4.3143 4.3143 12.7194 12.7194 12.7464 12.7464 13.3776 13.3776 13.4724 13.4724 13.4900 13.4900 k = 0.3611 0.3611 0.2965 ( 4786 PWs) bands (ev): -27.1993 -27.1993 -27.1919 -27.1919 -16.2291 -16.2291 -16.1643 -16.1643 -10.0820 -10.0820 -9.9656 -9.9656 -9.0924 -9.0924 -8.9320 -8.9320 -8.8367 -8.8367 -8.7991 -8.7991 -7.6696 -7.6696 -7.6256 -7.6256 1.4506 1.4506 1.7058 1.7058 2.2990 2.2990 2.3254 2.3254 2.7472 2.7472 2.9225 2.9225 3.1539 3.1539 3.1805 3.1805 3.8089 3.8089 4.0861 4.0861 4.2366 4.2366 4.3267 4.3267 12.6907 12.6907 12.7195 12.7195 13.4029 13.4029 13.4539 13.4539 13.4912 13.4912 k = 0.3519 0.3519 0.2965 ( 4790 PWs) bands (ev): -27.2004 -27.2004 -27.1921 -27.1921 -16.2309 -16.2309 -16.1578 -16.1578 -10.0857 -10.0857 -9.9626 -9.9626 -9.0984 -9.0984 -8.9289 -8.9289 -8.8387 -8.8387 -8.8009 -8.8009 -7.6656 -7.6656 -7.6166 -7.6166 1.4524 1.4524 1.7332 1.7332 2.2825 2.2825 2.3154 2.3154 2.7194 2.7194 2.9220 2.9220 3.1725 3.1725 3.1994 3.1994 3.7814 3.7814 4.0936 4.0936 4.2438 4.2438 4.3397 4.3397 12.6585 12.6585 12.6970 12.6970 13.4248 13.4248 13.4418 13.4418 13.4876 13.4876 k = 0.3426 0.3426 0.2965 ( 4784 PWs) bands (ev): -27.2015 -27.2015 -27.1922 -27.1922 -16.2327 -16.2327 -16.1509 -16.1509 -10.0893 -10.0893 -9.9597 -9.9597 -9.1044 -9.1044 -8.9263 -8.9263 -8.8399 -8.8399 -8.8025 -8.8025 -7.6620 -7.6620 -7.6079 -7.6079 1.4556 1.4556 1.7622 1.7622 2.2653 2.2653 2.3055 2.3055 2.6905 2.6905 2.9214 2.9214 3.1917 3.1917 3.2171 3.2171 3.7534 3.7534 4.1026 4.1026 4.2513 4.2513 4.3531 4.3531 12.6257 12.6257 12.6765 12.6765 13.4220 13.4220 13.4557 13.4557 13.4796 13.4796 k = 0.3333 0.3333 0.2965 ( 4788 PWs) bands (ev): -27.2027 -27.2027 -27.1924 -27.1924 -16.2346 -16.2346 -16.1438 -16.1438 -10.0927 -10.0927 -9.9570 -9.9570 -9.1103 -9.1103 -8.9242 -8.9242 -8.8405 -8.8405 -8.8037 -8.8037 -7.6590 -7.6590 -7.5997 -7.5997 1.4604 1.4604 1.7926 1.7926 2.2472 2.2472 2.2957 2.2957 2.6608 2.6608 2.9208 2.9208 3.2113 3.2113 3.2336 3.2336 3.7252 3.7252 4.1129 4.1129 4.2591 4.2591 4.3669 4.3669 12.5940 12.5940 12.6564 12.6564 13.4122 13.4122 13.4678 13.4678 13.4739 13.4739 k = 0.3241 0.3241 0.2965 ( 4784 PWs) bands (ev): -27.2039 -27.2039 -27.1926 -27.1926 -16.2366 -16.2366 -16.1364 -16.1364 -10.0958 -10.0958 -9.9543 -9.9543 -9.1160 -9.1160 -8.9225 -8.9225 -8.8405 -8.8405 -8.8045 -8.8045 -7.6565 -7.6565 -7.5919 -7.5919 1.4667 1.4667 1.8244 1.8244 2.2284 2.2284 2.2859 2.2859 2.6304 2.6304 2.9200 2.9200 3.2314 3.2314 3.2486 3.2486 3.6970 3.6970 4.1245 4.1245 4.2674 4.2674 4.3809 4.3809 12.5639 12.5639 12.6362 12.6362 13.4032 13.4032 13.4537 13.4537 13.4779 13.4779 k = 0.3148 0.3148 0.2965 ( 4786 PWs) bands (ev): -27.2052 -27.2052 -27.1928 -27.1928 -16.2386 -16.2386 -16.1288 -16.1288 -10.0988 -10.0988 -9.9518 -9.9518 -9.1216 -9.1216 -8.9212 -8.9212 -8.8402 -8.8402 -8.8047 -8.8047 -7.6547 -7.6547 -7.5847 -7.5847 1.4745 1.4745 1.8575 1.8575 2.2091 2.2091 2.2763 2.2763 2.5993 2.5993 2.9191 2.9191 3.2519 3.2519 3.2623 3.2623 3.6690 3.6690 4.1375 4.1375 4.2759 4.2759 4.3950 4.3950 12.5358 12.5358 12.6155 12.6155 13.3938 13.3938 13.4366 13.4366 13.4444 13.4444 k = 0.3056 0.3056 0.2965 ( 4770 PWs) bands (ev): -27.2065 -27.2065 -27.1929 -27.1929 -16.2406 -16.2406 -16.1209 -16.1209 -10.1015 -10.1015 -9.9494 -9.9494 -9.1269 -9.1269 -8.9201 -8.9201 -8.8398 -8.8398 -8.8041 -8.8041 -7.6536 -7.6536 -7.5781 -7.5781 1.4837 1.4837 1.8919 1.8919 2.1893 2.1893 2.2669 2.2669 2.5678 2.5678 2.9180 2.9180 3.2724 3.2724 3.2750 3.2750 3.6414 3.6414 4.1516 4.1516 4.2848 4.2848 4.4090 4.4090 12.5098 12.5098 12.5940 12.5940 13.3657 13.3657 13.3747 13.3747 13.4074 13.4074 k = 0.2963 0.2963 0.2965 ( 4766 PWs) bands (ev): -27.2079 -27.2079 -27.1931 -27.1931 -16.2427 -16.2427 -16.1129 -16.1129 -10.1039 -10.1039 -9.9472 -9.9472 -9.1319 -9.1319 -8.9193 -8.9193 -8.8394 -8.8394 -8.8026 -8.8026 -7.6532 -7.6532 -7.5723 -7.5723 1.4944 1.4944 1.9275 1.9275 2.1691 2.1691 2.2577 2.2577 2.5358 2.5358 2.9167 2.9167 3.2855 3.2855 3.2942 3.2942 3.6145 3.6145 4.1667 4.1667 4.2940 4.2940 4.4228 4.4228 12.4859 12.4859 12.5716 12.5716 13.2823 13.2823 13.3034 13.3034 13.3830 13.3830 k = 0.2870 0.2870 0.2965 ( 4766 PWs) bands (ev): -27.2092 -27.2092 -27.1933 -27.1933 -16.2448 -16.2448 -16.1047 -16.1047 -10.1061 -10.1061 -9.9451 -9.9451 -9.1366 -9.1366 -8.9185 -8.9185 -8.8393 -8.8393 -8.8002 -8.8002 -7.6536 -7.6536 -7.5672 -7.5672 1.5063 1.5063 1.9642 1.9642 2.1486 2.1486 2.2488 2.2488 2.5036 2.5036 2.9152 2.9152 3.2956 3.2956 3.3157 3.3157 3.5884 3.5884 4.1826 4.1826 4.3036 4.3036 4.4361 4.4361 12.4638 12.4638 12.5482 12.5482 13.1953 13.1953 13.2124 13.2124 13.3694 13.3694 k = 0.2778 0.2778 0.2965 ( 4762 PWs) bands (ev): -27.2106 -27.2106 -27.1935 -27.1935 -16.2469 -16.2469 -16.0963 -16.0963 -10.1079 -10.1079 -9.9432 -9.9432 -9.1409 -9.1409 -8.9178 -8.9178 -8.8396 -8.8396 -8.7970 -8.7970 -7.6548 -7.6548 -7.5628 -7.5628 1.5194 1.5194 2.0019 2.0019 2.1279 2.1279 2.2401 2.2401 2.4713 2.4713 2.9134 2.9134 3.3048 3.3048 3.3373 3.3373 3.5634 3.5634 4.1991 4.1991 4.3136 4.3136 4.4488 4.4488 12.4435 12.4435 12.5238 12.5238 13.1054 13.1054 13.1184 13.1184 13.3568 13.3568 k = 0.2685 0.2685 0.2965 ( 4754 PWs) bands (ev): -27.2120 -27.2120 -27.1937 -27.1937 -16.2491 -16.2491 -16.0878 -16.0878 -10.1094 -10.1094 -9.9415 -9.9415 -9.1449 -9.1449 -8.9170 -8.9170 -8.8402 -8.8402 -8.7931 -8.7931 -7.6567 -7.6567 -7.5593 -7.5593 1.5334 1.5334 2.0403 2.0403 2.1074 2.1074 2.2317 2.2317 2.4390 2.4390 2.9114 2.9114 3.3134 3.3134 3.3591 3.3591 3.5398 3.5398 4.2161 4.2161 4.3238 4.3238 4.4607 4.4607 12.4247 12.4247 12.4987 12.4987 13.0126 13.0126 13.0247 13.0247 13.3454 13.3454 k = 0.2593 0.2593 0.2965 ( 4754 PWs) bands (ev): -27.2134 -27.2134 -27.1940 -27.1940 -16.2512 -16.2512 -16.0793 -16.0793 -10.1105 -10.1105 -9.9399 -9.9399 -9.1483 -9.1483 -8.9161 -8.9161 -8.8410 -8.8410 -8.7886 -8.7886 -7.6594 -7.6594 -7.5566 -7.5566 1.5483 1.5483 2.0761 2.0761 2.0902 2.0902 2.2237 2.2237 2.4068 2.4068 2.9092 2.9092 3.3216 3.3216 3.3808 3.3808 3.5177 3.5177 4.2333 4.2333 4.3344 4.3344 4.4717 4.4717 12.4071 12.4071 12.4731 12.4731 12.9178 12.9178 12.9323 12.9323 13.3339 13.3339 k = 0.2500 0.2500 0.2965 ( 4762 PWs) bands (ev): -27.2148 -27.2148 -27.1942 -27.1942 -16.2533 -16.2533 -16.0707 -16.0707 -10.1113 -10.1113 -9.9385 -9.9385 -9.1513 -9.1513 -8.9150 -8.9150 -8.8421 -8.8421 -8.7838 -8.7838 -7.6628 -7.6628 -7.5547 -7.5547 1.5638 1.5638 2.0643 2.0643 2.1214 2.1214 2.2160 2.2160 2.3749 2.3749 2.9067 2.9067 3.3296 3.3296 3.4020 3.4020 3.4978 3.4978 4.2505 4.2505 4.3454 4.3454 4.4815 4.4815 12.3903 12.3903 12.4474 12.4474 12.8227 12.8227 12.8406 12.8406 13.3139 13.3139 k = 0.2407 0.2407 0.2965 ( 4760 PWs) bands (ev): -27.2162 -27.2162 -27.1944 -27.1944 -16.2555 -16.2555 -16.0621 -16.0621 -10.1117 -10.1117 -9.9373 -9.9373 -9.1538 -9.1538 -8.9138 -8.9138 -8.8434 -8.8434 -8.7786 -8.7786 -7.6670 -7.6670 -7.5536 -7.5536 1.5798 1.5798 2.0441 2.0441 2.1618 2.1618 2.2086 2.2086 2.3433 2.3433 2.9040 2.9040 3.3377 3.3377 3.4215 3.4215 3.4814 3.4814 4.2675 4.2675 4.3567 4.3567 4.4900 4.4900 12.3741 12.3741 12.4221 12.4221 12.7283 12.7283 12.7495 12.7495 13.2803 13.2803 k = 0.2315 0.2315 0.2965 ( 4756 PWs) bands (ev): -27.2176 -27.2176 -27.1946 -27.1946 -16.2576 -16.2576 -16.0534 -16.0534 -10.1118 -10.1118 -9.9363 -9.9363 -9.1556 -9.1556 -8.9124 -8.9124 -8.8448 -8.8448 -8.7733 -8.7733 -7.6718 -7.6718 -7.5534 -7.5534 1.5959 1.5959 2.0239 2.0239 2.2014 2.2014 2.2029 2.2029 2.3123 2.3123 2.9010 2.9010 3.3460 3.3460 3.4341 3.4341 3.4738 3.4738 4.2842 4.2842 4.3683 4.3683 4.4971 4.4971 12.3581 12.3581 12.3976 12.3976 12.6351 12.6351 12.6591 12.6591 13.2425 13.2425 k = 0.2222 0.2222 0.2965 ( 4768 PWs) bands (ev): -27.2190 -27.2190 -27.1948 -27.1948 -16.2597 -16.2597 -16.0448 -16.0448 -10.1114 -10.1114 -9.9355 -9.9355 -9.1570 -9.1570 -8.9107 -8.9107 -8.8463 -8.8463 -8.7680 -8.7680 -7.6772 -7.6772 -7.5539 -7.5539 1.6120 1.6120 2.0041 2.0041 2.1944 2.1944 2.2436 2.2436 2.2827 2.2827 2.8978 2.8978 3.3547 3.3547 3.4317 3.4317 3.4833 3.4833 4.3005 4.3005 4.3801 4.3801 4.5026 4.5026 12.3420 12.3420 12.3746 12.3746 12.5436 12.5436 12.5697 12.5697 13.2039 13.2039 k = 0.2130 0.2130 0.2965 ( 4764 PWs) bands (ev): -27.2204 -27.2204 -27.1950 -27.1950 -16.2617 -16.2617 -16.0363 -16.0363 -10.1107 -10.1107 -9.9350 -9.9350 -9.1577 -9.1577 -8.9088 -8.9088 -8.8480 -8.8480 -8.7628 -8.7628 -7.6832 -7.6832 -7.5553 -7.5553 1.6278 1.6278 1.9848 1.9848 2.1874 2.1874 2.2508 2.2508 2.2877 2.2877 2.8945 2.8945 3.3637 3.3637 3.4226 3.4226 3.5020 3.5020 4.3161 4.3161 4.3922 4.3922 4.5063 4.5063 12.3256 12.3256 12.3533 12.3533 12.4541 12.4541 12.4817 12.4817 13.1654 13.1654 k = 0.2037 0.2037 0.2965 ( 4764 PWs) bands (ev): -27.2217 -27.2217 -27.1952 -27.1952 -16.2638 -16.2638 -16.0278 -16.0278 -10.1095 -10.1095 -9.9347 -9.9347 -9.1578 -9.1578 -8.9067 -8.9067 -8.8498 -8.8498 -8.7577 -8.7577 -7.6897 -7.6897 -7.5573 -7.5573 1.6430 1.6430 1.9662 1.9662 2.1796 2.1796 2.2242 2.2242 2.3284 2.3284 2.8909 2.8909 3.3728 3.3728 3.4142 3.4142 3.5228 3.5228 4.3310 4.3310 4.4045 4.4045 4.5083 4.5083 12.3083 12.3083 12.3338 12.3338 12.3672 12.3672 12.3959 12.3959 13.1273 13.1273 k = 0.1944 0.1944 0.2965 ( 4770 PWs) bands (ev): -27.2231 -27.2231 -27.1954 -27.1954 -16.2658 -16.2658 -16.0195 -16.0195 -10.1080 -10.1080 -9.9346 -9.9346 -9.1573 -9.1573 -8.9044 -8.9044 -8.8517 -8.8517 -8.7528 -8.7528 -7.6967 -7.6967 -7.5601 -7.5601 1.6574 1.6574 1.9484 1.9484 2.1689 2.1689 2.2010 2.2010 2.3695 2.3695 2.8872 2.8872 3.3804 3.3804 3.4099 3.4099 3.5441 3.5441 4.3452 4.3452 4.4167 4.4167 4.5084 4.5084 12.2772 12.2772 12.2951 12.2951 12.3050 12.3050 12.3246 12.3246 13.0900 13.0900 k = 0.1852 0.1852 0.2965 ( 4770 PWs) bands (ev): -27.2244 -27.2244 -27.1956 -27.1956 -16.2677 -16.2677 -16.0113 -16.0113 -10.1060 -10.1060 -9.9349 -9.9349 -9.1561 -9.1561 -8.9018 -8.9018 -8.8537 -8.8537 -8.7482 -8.7482 -7.7039 -7.7039 -7.5635 -7.5635 1.6708 1.6708 1.9315 1.9315 2.1512 2.1512 2.1859 2.1859 2.4101 2.4101 2.8833 2.8833 3.3841 3.3841 3.4127 3.4127 3.5655 3.5655 4.3584 4.3584 4.4287 4.4287 4.5068 4.5068 12.1975 12.1975 12.2265 12.2265 12.2742 12.2742 12.3074 12.3074 13.0536 13.0536 k = 0.1759 0.1759 0.2965 ( 4782 PWs) bands (ev): -27.2257 -27.2257 -27.1958 -27.1958 -16.2696 -16.2696 -16.0033 -16.0033 -10.1037 -10.1037 -9.9353 -9.9353 -9.1543 -9.1543 -8.8991 -8.8991 -8.8558 -8.8558 -8.7440 -8.7440 -7.7115 -7.7115 -7.5675 -7.5675 1.6828 1.6828 1.9159 1.9159 2.1280 2.1280 2.1775 2.1775 2.4500 2.4500 2.8793 2.8793 3.3847 3.3847 3.4224 3.4224 3.5866 3.5866 4.3706 4.3706 4.4401 4.4401 4.5039 4.5039 12.1178 12.1178 12.1470 12.1470 12.2542 12.2542 12.2978 12.2978 13.0183 13.0183 k = 0.1667 0.1667 0.2965 ( 4784 PWs) bands (ev): -27.2269 -27.2269 -27.1960 -27.1960 -16.2714 -16.2714 -15.9955 -15.9955 -10.1010 -10.1010 -9.9361 -9.9361 -9.1519 -9.1519 -8.8963 -8.8963 -8.8580 -8.8580 -8.7401 -8.7401 -7.7192 -7.7192 -7.5720 -7.5720 1.6932 1.6932 1.9016 1.9016 2.1034 2.1034 2.1719 2.1719 2.4888 2.4888 2.8753 2.8753 3.3857 3.3857 3.4355 3.4355 3.6074 3.6074 4.3814 4.3814 4.4502 4.4502 4.5006 4.5006 12.0409 12.0409 12.0698 12.0698 12.2333 12.2333 12.2923 12.2923 12.9843 12.9843 k = 0.1574 0.1574 0.2965 ( 4780 PWs) bands (ev): -27.2281 -27.2281 -27.1962 -27.1962 -16.2732 -16.2732 -15.9879 -15.9879 -10.0980 -10.0980 -9.9372 -9.9372 -9.1488 -9.1488 -8.8935 -8.8935 -8.8601 -8.8601 -8.7368 -8.7368 -7.7271 -7.7271 -7.5770 -7.5770 1.7017 1.7017 1.8890 1.8890 2.0790 2.0790 2.1675 2.1675 2.5262 2.5262 2.8712 2.8712 3.3887 3.3887 3.4504 3.4504 3.6278 3.6278 4.3904 4.3904 4.4573 4.4573 4.4988 4.4988 11.9670 11.9670 11.9955 11.9955 12.2111 12.2111 12.2906 12.2906 12.9517 12.9517 k = 0.1481 0.1481 0.2965 ( 4780 PWs) bands (ev): -27.2293 -27.2293 -27.1964 -27.1964 -16.2748 -16.2748 -15.9806 -15.9806 -10.0946 -10.0946 -9.9385 -9.9385 -9.1452 -9.1452 -8.8908 -8.8908 -8.8619 -8.8619 -8.7339 -8.7339 -7.7349 -7.7349 -7.5823 -7.5823 1.7081 1.7081 1.8783 1.8783 2.0554 2.0554 2.1639 2.1639 2.5620 2.5620 2.8671 2.8671 3.3946 3.3946 3.4666 3.4666 3.6476 3.6476 4.3964 4.3964 4.4599 4.4599 4.5011 4.5011 11.8962 11.8962 11.9243 11.9243 12.1879 12.1879 12.2928 12.2928 12.9209 12.9209 k = 0.1389 0.1389 0.2965 ( 4776 PWs) bands (ev): -27.2304 -27.2304 -27.1966 -27.1966 -16.2765 -16.2765 -15.9736 -15.9736 -10.0909 -10.0909 -9.9401 -9.9401 -9.1410 -9.1410 -8.8887 -8.8887 -8.8632 -8.8632 -8.7316 -8.7316 -7.7427 -7.7427 -7.5879 -7.5879 1.7121 1.7121 1.8696 1.8696 2.0327 2.0327 2.1608 2.1608 2.5958 2.5958 2.8631 2.8631 3.4036 3.4036 3.4836 3.4836 3.6668 3.6668 4.3973 4.3973 4.4597 4.4597 4.5080 4.5080 11.8289 11.8289 11.8564 11.8564 12.1636 12.1636 12.2986 12.2986 12.8920 12.8920 k = 0.1296 0.1296 0.2965 ( 4768 PWs) bands (ev): -27.2314 -27.2314 -27.1967 -27.1967 -16.2780 -16.2780 -15.9669 -15.9669 -10.0869 -10.0869 -9.9421 -9.9421 -9.1362 -9.1362 -8.8876 -8.8876 -8.8635 -8.8635 -8.7299 -8.7299 -7.7504 -7.7504 -7.5938 -7.5938 1.7138 1.7138 1.8630 1.8630 2.0112 2.0112 2.1582 2.1582 2.6273 2.6273 2.8591 2.8591 3.4159 3.4159 3.5013 3.5013 3.6853 3.6853 4.3911 4.3911 4.4607 4.4607 4.5172 4.5172 11.7651 11.7651 11.7920 11.7920 12.1386 12.1386 12.3077 12.3077 12.8653 12.8653 k = 0.1204 0.1204 0.2965 ( 4772 PWs) bands (ev): -27.2324 -27.2324 -27.1969 -27.1969 -16.2794 -16.2794 -15.9605 -15.9605 -10.0826 -10.0826 -9.9443 -9.9443 -9.1310 -9.1310 -8.8880 -8.8880 -8.8623 -8.8623 -8.7288 -8.7288 -7.7578 -7.7578 -7.5998 -7.5998 1.7132 1.7132 1.8585 1.8585 1.9909 1.9909 2.1559 2.1559 2.6564 2.6564 2.8553 2.8553 3.4315 3.4315 3.5194 3.5194 3.7030 3.7030 4.3777 4.3777 4.4645 4.4645 4.5273 4.5273 11.7050 11.7050 11.7313 11.7313 12.1129 12.1129 12.3196 12.3196 12.8409 12.8409 k = 0.1111 0.1111 0.2965 ( 4774 PWs) bands (ev): -27.2334 -27.2334 -27.1971 -27.1971 -16.2808 -16.2808 -15.9545 -15.9545 -10.0781 -10.0781 -9.9468 -9.9468 -9.1254 -9.1254 -8.8897 -8.8897 -8.8598 -8.8598 -8.7282 -8.7282 -7.7648 -7.7648 -7.6058 -7.6058 1.7108 1.7108 1.8557 1.8557 1.9718 1.9718 2.1540 2.1540 2.6828 2.6828 2.8518 2.8518 3.4505 3.4505 3.5377 3.5377 3.7198 3.7198 4.3587 4.3587 4.4704 4.4704 4.5376 4.5376 11.6487 11.6487 11.6744 11.6744 12.0870 12.0870 12.3338 12.3338 12.8194 12.8194 k = 0.1019 0.1019 0.2965 ( 4774 PWs) bands (ev): -27.2343 -27.2343 -27.1972 -27.1972 -16.2820 -16.2820 -15.9489 -15.9489 -10.0734 -10.0734 -9.9496 -9.9496 -9.1194 -9.1194 -8.8926 -8.8926 -8.8562 -8.8562 -8.7283 -8.7283 -7.7715 -7.7715 -7.6118 -7.6118 1.7069 1.7069 1.8543 1.8543 1.9541 1.9541 2.1523 2.1523 2.7064 2.7064 2.8485 2.8485 3.4727 3.4727 3.5560 3.5560 3.7357 3.7357 4.3356 4.3356 4.4771 4.4771 4.5477 4.5477 11.5963 11.5963 11.6215 11.6215 12.0611 12.0611 12.3495 12.3495 12.8008 12.8008 k = 0.0926 0.0926 0.2965 ( 4780 PWs) bands (ev): -27.2351 -27.2351 -27.1973 -27.1973 -16.2832 -16.2832 -15.9437 -15.9437 -10.0686 -10.0686 -9.9526 -9.9526 -9.1131 -9.1131 -8.8961 -8.8961 -8.8519 -8.8519 -8.7289 -8.7289 -7.7778 -7.7778 -7.6177 -7.6177 1.7021 1.7021 1.8538 1.8538 1.9377 1.9377 2.1510 2.1510 2.7272 2.7272 2.8455 2.8455 3.4975 3.4975 3.5742 3.5742 3.7506 3.7506 4.3091 4.3091 4.4841 4.4841 4.5574 4.5574 11.5481 11.5481 11.5727 11.5727 12.0356 12.0356 12.3660 12.3660 12.7856 12.7856 k = 0.0833 0.0833 0.2965 ( 4786 PWs) bands (ev): -27.2358 -27.2358 -27.1975 -27.1975 -16.2843 -16.2843 -15.9390 -15.9390 -10.0636 -10.0636 -9.9559 -9.9559 -9.1066 -9.1066 -8.9002 -8.9002 -8.8472 -8.8472 -8.7301 -8.7301 -7.7836 -7.7836 -7.6233 -7.6233 1.6968 1.6968 1.8540 1.8540 1.9228 1.9228 2.1498 2.1498 2.7450 2.7450 2.8430 2.8430 3.5246 3.5246 3.5924 3.5924 3.7644 3.7644 4.2800 4.2800 4.4910 4.4910 4.5665 4.5665 11.5040 11.5040 11.5282 11.5282 12.0108 12.0108 12.3822 12.3822 12.7740 12.7740 k = 0.0741 0.0741 0.2965 ( 4788 PWs) bands (ev): -27.2365 -27.2365 -27.1976 -27.1976 -16.2852 -16.2852 -15.9347 -15.9347 -10.0585 -10.0585 -9.9593 -9.9593 -9.1001 -9.1001 -8.9045 -8.9045 -8.8422 -8.8422 -8.7318 -8.7318 -7.7889 -7.7889 -7.6287 -7.6287 1.6914 1.6914 1.8545 1.8545 1.9094 1.9094 2.1489 2.1489 2.7600 2.7600 2.8411 2.8411 3.5526 3.5526 3.6111 3.6111 3.7773 3.7773 4.2486 4.2486 4.4975 4.4975 4.5750 4.5750 11.4643 11.4643 11.4881 11.4881 11.9873 11.9873 12.3973 12.3973 12.7662 12.7662 k = 0.0648 0.0648 0.2965 ( 4788 PWs) bands (ev): -27.2371 -27.2371 -27.1977 -27.1977 -16.2861 -16.2861 -15.9308 -15.9308 -10.0535 -10.0535 -9.9629 -9.9629 -9.0937 -9.0937 -8.9089 -8.9089 -8.8371 -8.8371 -8.7340 -8.7340 -7.7935 -7.7935 -7.6336 -7.6336 1.6862 1.6862 1.8552 1.8552 1.8975 1.8975 2.1482 2.1482 2.7723 2.7723 2.8399 2.8399 3.5796 3.5796 3.6316 3.6316 3.7890 3.7890 4.2154 4.2154 4.5035 4.5035 4.5828 4.5828 11.4290 11.4290 11.4524 11.4524 11.9653 11.9653 12.4106 12.4106 12.7622 12.7622 k = 0.0556 0.0556 0.2965 ( 4792 PWs) bands (ev): -27.2376 -27.2376 -27.1977 -27.1977 -16.2868 -16.2868 -15.9275 -15.9275 -10.0485 -10.0485 -9.9666 -9.9666 -9.0875 -9.0875 -8.9133 -8.9133 -8.8321 -8.8321 -8.7364 -8.7364 -7.7976 -7.7976 -7.6381 -7.6381 1.6813 1.6813 1.8559 1.8559 1.8871 1.8871 2.1476 2.1476 2.7818 2.7818 2.8394 2.8394 3.6028 3.6028 3.6558 3.6558 3.7998 3.7998 4.1807 4.1807 4.5089 4.5089 4.5898 4.5898 11.3983 11.3983 11.4213 11.4213 11.9453 11.9453 12.4215 12.4215 12.7614 12.7614 k = 0.0463 0.0463 0.2965 ( 4788 PWs) bands (ev): -27.2380 -27.2380 -27.1978 -27.1978 -16.2874 -16.2874 -15.9246 -15.9246 -10.0438 -10.0438 -9.9703 -9.9703 -9.0817 -9.0817 -8.9175 -8.9175 -8.8272 -8.8272 -8.7391 -8.7391 -7.8011 -7.8011 -7.6420 -7.6420 1.6769 1.6769 1.8565 1.8565 1.8783 1.8783 2.1471 2.1471 2.7888 2.7888 2.8397 2.8397 3.6206 3.6206 3.6843 3.6843 3.8098 3.8098 4.1450 4.1450 4.5136 4.5136 4.5958 4.5958 11.3721 11.3721 11.3949 11.3949 11.9276 11.9276 12.4299 12.4299 12.7634 12.7634 k = 0.0370 0.0370 0.2965 ( 4788 PWs) bands (ev): -27.2384 -27.2384 -27.1979 -27.1979 -16.2879 -16.2879 -15.9222 -15.9222 -10.0393 -10.0393 -9.9738 -9.9738 -9.0765 -9.0765 -8.9213 -8.9213 -8.8227 -8.8227 -8.7418 -8.7418 -7.8040 -7.8040 -7.6453 -7.6453 1.6733 1.6733 1.8571 1.8571 1.8710 1.8710 2.1467 2.1467 2.7936 2.7936 2.8405 2.8405 3.6335 3.6335 3.7149 3.7149 3.8195 3.8195 4.1090 4.1090 4.5176 4.5176 4.6009 4.6009 11.3506 11.3506 11.3732 11.3732 11.9127 11.9127 12.4359 12.4359 12.7670 12.7670 k = 0.0278 0.0278 0.2965 ( 4790 PWs) bands (ev): -27.2387 -27.2387 -27.1979 -27.1979 -16.2884 -16.2884 -15.9204 -15.9204 -10.0354 -10.0354 -9.9770 -9.9770 -9.0721 -9.0721 -8.9246 -8.9246 -8.8188 -8.8188 -8.7443 -8.7443 -7.8062 -7.8062 -7.6479 -7.6479 1.6703 1.6703 1.8575 1.8575 1.8654 1.8654 2.1465 2.1465 2.7967 2.7967 2.8417 2.8417 3.6428 3.6428 3.7441 3.7441 3.8298 3.8298 4.0739 4.0739 4.5207 4.5207 4.6049 4.6049 11.3338 11.3338 11.3562 11.3562 11.9007 11.9007 12.4400 12.4400 12.7711 12.7711 k = 0.0185 0.0185 0.2965 ( 4786 PWs) bands (ev): -27.2389 -27.2389 -27.1980 -27.1980 -16.2886 -16.2886 -15.9191 -15.9191 -10.0322 -10.0322 -9.9797 -9.9797 -9.0688 -9.0688 -8.9272 -8.9272 -8.8157 -8.8157 -8.7464 -8.7464 -7.8078 -7.8078 -7.6499 -7.6499 1.6682 1.6682 1.8577 1.8577 1.8615 1.8615 2.1463 2.1463 2.7985 2.7985 2.8429 2.8429 3.6491 3.6491 3.7677 3.7677 3.8421 3.8421 4.0418 4.0418 4.5230 4.5230 4.6078 4.6078 11.3217 11.3217 11.3440 11.3440 11.8920 11.8920 12.4425 12.4425 12.7749 12.7749 k = 0.0093 0.0093 0.2965 ( 4786 PWs) bands (ev): -27.2390 -27.2390 -27.1980 -27.1980 -16.2888 -16.2888 -15.9183 -15.9183 -10.0301 -10.0301 -9.9814 -9.9814 -9.0667 -9.0667 -8.9288 -8.9288 -8.8137 -8.8137 -8.7479 -8.7479 -7.8088 -7.8088 -7.6510 -7.6510 1.6669 1.6669 1.8576 1.8576 1.8594 1.8594 2.1462 2.1462 2.7994 2.7994 2.8437 2.8437 3.6529 3.6529 3.7819 3.7819 3.8552 3.8552 4.0168 4.0168 4.5243 4.5243 4.6096 4.6096 11.3145 11.3145 11.3367 11.3367 11.8867 11.8867 12.4438 12.4438 12.7775 12.7775 k = 0.0000 0.0000 0.2965 ( 4782 PWs) bands (ev): -27.2391 -27.2391 -27.1980 -27.1980 -16.2889 -16.2889 -15.9180 -15.9180 -10.0293 -10.0293 -9.9821 -9.9821 -9.0659 -9.0659 -8.9293 -8.9293 -8.8130 -8.8130 -8.7483 -8.7483 -7.8091 -7.8091 -7.6514 -7.6514 1.6665 1.6665 1.8573 1.8573 1.8590 1.8590 2.1462 2.1462 2.7997 2.7997 2.8440 2.8440 3.6541 3.6541 3.7865 3.7865 3.8615 3.8615 4.0067 4.0067 4.5248 4.5248 4.6102 4.6102 11.3121 11.3121 11.3343 11.3343 11.8850 11.8850 12.4442 12.4442 12.7785 12.7785 k = 0.0000 0.5000-0.0000 ( 4758 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1649 -16.1649 -16.1649 -16.1649 -10.0370 -10.0370 -10.0370 -10.0370 -9.0637 -9.0637 -9.0637 -9.0637 -8.8305 -8.8305 -8.8305 -8.8305 -7.5186 -7.5186 -7.5186 -7.5186 1.9268 1.9268 1.9268 1.9268 2.2786 2.2786 2.2786 2.2786 2.3312 2.3312 2.3312 2.3312 3.3750 3.3750 3.3750 3.3750 3.9821 3.9821 3.9821 3.9821 4.3243 4.3243 4.3243 4.3243 11.7426 11.7426 11.7426 11.7426 12.5228 12.5228 12.5228 12.5228 13.0930 13.0930 k = 0.0000 0.5000 0.0129 ( 4754 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1649 -16.1649 -16.1649 -16.1649 -10.0370 -10.0370 -10.0370 -10.0370 -9.0637 -9.0637 -9.0637 -9.0637 -8.8306 -8.8306 -8.8306 -8.8306 -7.5184 -7.5184 -7.5184 -7.5184 1.9271 1.9271 1.9271 1.9271 2.2784 2.2784 2.2784 2.2784 2.3306 2.3306 2.3306 2.3306 3.3742 3.3742 3.3743 3.3743 3.9823 3.9823 3.9823 3.9823 4.3251 4.3251 4.3251 4.3251 11.7432 11.7432 11.7432 11.7432 12.5255 12.5255 12.5255 12.5255 13.0931 13.0931 k = 0.0000 0.5000 0.0258 ( 4746 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1649 -16.1649 -16.1649 -16.1649 -10.0370 -10.0370 -10.0370 -10.0370 -9.0636 -9.0636 -9.0636 -9.0636 -8.8310 -8.8310 -8.8310 -8.8310 -7.5180 -7.5180 -7.5180 -7.5180 1.9279 1.9279 1.9279 1.9279 2.2779 2.2779 2.2779 2.2779 2.3290 2.3290 2.3290 2.3290 3.3721 3.3721 3.3721 3.3721 3.9829 3.9829 3.9829 3.9829 4.3273 4.3273 4.3273 4.3273 11.7450 11.7450 11.7450 11.7450 12.5335 12.5335 12.5335 12.5335 13.0934 13.0934 k = 0.0000 0.5000 0.0387 ( 4752 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1649 -16.1649 -16.1649 -16.1649 -10.0369 -10.0369 -10.0369 -10.0369 -9.0635 -9.0635 -9.0635 -9.0635 -8.8317 -8.8317 -8.8317 -8.8317 -7.5172 -7.5172 -7.5172 -7.5172 1.9293 1.9293 1.9293 1.9293 2.2771 2.2771 2.2771 2.2771 2.3263 2.3263 2.3263 2.3263 3.3686 3.3686 3.3686 3.3686 3.9837 3.9837 3.9837 3.9837 4.3310 4.3310 4.3310 4.3310 11.7479 11.7479 11.7479 11.7479 12.5467 12.5467 12.5467 12.5467 13.0938 13.0938 k = 0.0000 0.5000 0.0516 ( 4752 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1649 -16.1649 -16.1649 -16.1649 -10.0367 -10.0367 -10.0367 -10.0367 -9.0634 -9.0634 -9.0634 -9.0634 -8.8325 -8.8325 -8.8325 -8.8325 -7.5162 -7.5162 -7.5162 -7.5162 1.9313 1.9313 1.9313 1.9313 2.2760 2.2760 2.2760 2.2760 2.3226 2.3226 2.3226 2.3226 3.3638 3.3638 3.3638 3.3638 3.9850 3.9850 3.9850 3.9850 4.3360 4.3360 4.3360 4.3360 11.7520 11.7520 11.7520 11.7520 12.5648 12.5648 12.5648 12.5648 13.0945 13.0945 k = 0.0000 0.5000 0.0645 ( 4760 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1650 -16.1650 -16.1650 -16.1650 -10.0366 -10.0366 -10.0366 -10.0366 -9.0633 -9.0633 -9.0633 -9.0633 -8.8336 -8.8336 -8.8336 -8.8336 -7.5150 -7.5150 -7.5150 -7.5150 1.9338 1.9338 1.9338 1.9338 2.2744 2.2744 2.2744 2.2744 2.3180 2.3180 2.3180 2.3180 3.3579 3.3579 3.3579 3.3579 3.9865 3.9865 3.9865 3.9865 4.3421 4.3421 4.3421 4.3421 11.7570 11.7570 11.7570 11.7570 12.5875 12.5875 12.5875 12.5875 13.0953 13.0953 k = 0.0000 0.5000 0.0773 ( 4768 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1650 -16.1650 -16.1650 -16.1650 -10.0364 -10.0364 -10.0364 -10.0364 -9.0631 -9.0631 -9.0631 -9.0631 -8.8349 -8.8349 -8.8349 -8.8349 -7.5135 -7.5135 -7.5135 -7.5135 1.9369 1.9369 1.9369 1.9369 2.2724 2.2724 2.2724 2.2724 2.3127 2.3127 2.3127 2.3127 3.3511 3.3511 3.3511 3.3511 3.9883 3.9883 3.9883 3.9883 4.3492 4.3492 4.3492 4.3492 11.7630 11.7630 11.7630 11.7630 12.6144 12.6144 12.6144 12.6144 13.0963 13.0963 k = 0.0000 0.5000 0.0902 ( 4764 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1650 -16.1650 -16.1650 -16.1650 -10.0361 -10.0361 -10.0361 -10.0361 -9.0629 -9.0629 -9.0629 -9.0629 -8.8364 -8.8364 -8.8364 -8.8364 -7.5118 -7.5118 -7.5118 -7.5118 1.9405 1.9405 1.9405 1.9405 2.2699 2.2699 2.2699 2.2699 2.3067 2.3067 2.3067 2.3067 3.3436 3.3436 3.3436 3.3436 3.9903 3.9903 3.9903 3.9903 4.3572 4.3572 4.3572 4.3572 11.7699 11.7699 11.7699 11.7699 12.6448 12.6448 12.6448 12.6448 13.0974 13.0974 k = 0.0000 0.5000 0.1031 ( 4764 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1650 -16.1650 -16.1650 -16.1650 -10.0359 -10.0359 -10.0359 -10.0359 -9.0627 -9.0627 -9.0627 -9.0627 -8.8381 -8.8381 -8.8381 -8.8381 -7.5099 -7.5099 -7.5099 -7.5099 1.9447 1.9447 1.9447 1.9447 2.2665 2.2665 2.2665 2.2665 2.3005 2.3005 2.3005 2.3005 3.3355 3.3355 3.3355 3.3355 3.9926 3.9926 3.9926 3.9926 4.3657 4.3657 4.3657 4.3657 11.7774 11.7774 11.7774 11.7774 12.6779 12.6779 12.6779 12.6779 13.0987 13.0987 k = 0.0000 0.5000 0.1160 ( 4758 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1650 -16.1650 -16.1650 -16.1650 -10.0356 -10.0356 -10.0356 -10.0356 -9.0624 -9.0624 -9.0624 -9.0624 -8.8398 -8.8398 -8.8398 -8.8398 -7.5079 -7.5079 -7.5079 -7.5079 1.9494 1.9494 1.9494 1.9494 2.2621 2.2621 2.2621 2.2621 2.2943 2.2943 2.2943 2.2943 3.3271 3.3271 3.3271 3.3271 3.9950 3.9950 3.9950 3.9950 4.3747 4.3747 4.3747 4.3747 11.7855 11.7855 11.7855 11.7855 12.7128 12.7128 12.7128 12.7128 13.1001 13.1001 k = 0.0000 0.5000 0.1289 ( 4762 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1651 -16.1651 -16.1651 -16.1651 -10.0353 -10.0353 -10.0353 -10.0353 -9.0621 -9.0621 -9.0621 -9.0621 -8.8416 -8.8416 -8.8416 -8.8416 -7.5059 -7.5059 -7.5059 -7.5059 1.9546 1.9546 1.9546 1.9546 2.2564 2.2564 2.2564 2.2564 2.2886 2.2886 2.2886 2.2886 3.3185 3.3185 3.3185 3.3185 3.9975 3.9975 3.9975 3.9975 4.3839 4.3839 4.3839 4.3839 11.7941 11.7941 11.7941 11.7941 12.7484 12.7484 12.7484 12.7484 13.1016 13.1016 k = 0.0000 0.5000 0.1418 ( 4784 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1651 -16.1651 -16.1651 -16.1651 -10.0350 -10.0350 -10.0350 -10.0350 -9.0619 -9.0619 -9.0619 -9.0619 -8.8435 -8.8435 -8.8435 -8.8435 -7.5037 -7.5037 -7.5037 -7.5037 1.9603 1.9603 1.9603 1.9603 2.2491 2.2491 2.2491 2.2491 2.2838 2.2838 2.2838 2.2838 3.3100 3.3100 3.3100 3.3100 4.0001 4.0001 4.0001 4.0001 4.3930 4.3930 4.3930 4.3930 11.8029 11.8029 11.8029 11.8029 12.7835 12.7835 12.7836 12.7836 13.1033 13.1033 k = 0.0000 0.5000 0.1547 ( 4776 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1651 -16.1651 -16.1651 -16.1651 -10.0347 -10.0347 -10.0347 -10.0347 -9.0616 -9.0616 -9.0616 -9.0616 -8.8455 -8.8455 -8.8455 -8.8455 -7.5016 -7.5016 -7.5016 -7.5016 1.9666 1.9666 1.9666 1.9666 2.2403 2.2403 2.2403 2.2403 2.2798 2.2798 2.2798 2.2798 3.3016 3.3016 3.3016 3.3016 4.0028 4.0028 4.0028 4.0028 4.4021 4.4021 4.4021 4.4021 11.8119 11.8119 11.8119 11.8119 12.8171 12.8171 12.8171 12.8171 13.1049 13.1049 k = 0.0000 0.5000 0.1676 ( 4768 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1652 -16.1652 -16.1652 -16.1652 -10.0344 -10.0344 -10.0344 -10.0344 -9.0613 -9.0613 -9.0613 -9.0613 -8.8473 -8.8473 -8.8473 -8.8473 -7.4994 -7.4994 -7.4994 -7.4994 1.9733 1.9733 1.9733 1.9733 2.2304 2.2304 2.2304 2.2304 2.2766 2.2766 2.2766 2.2766 3.2936 3.2936 3.2936 3.2936 4.0054 4.0054 4.0054 4.0054 4.4109 4.4109 4.4109 4.4109 11.8208 11.8208 11.8208 11.8208 12.8479 12.8479 12.8479 12.8479 13.1066 13.1066 k = 0.0000 0.5000 0.1805 ( 4766 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1652 -16.1652 -16.1652 -16.1652 -10.0341 -10.0341 -10.0341 -10.0341 -9.0610 -9.0610 -9.0610 -9.0610 -8.8492 -8.8492 -8.8492 -8.8492 -7.4973 -7.4973 -7.4973 -7.4973 1.9804 1.9804 1.9804 1.9804 2.2197 2.2197 2.2197 2.2197 2.2740 2.2740 2.2740 2.2740 3.2860 3.2860 3.2860 3.2860 4.0079 4.0079 4.0079 4.0079 4.4192 4.4192 4.4192 4.4192 11.8295 11.8295 11.8295 11.8295 12.8753 12.8753 12.8753 12.8753 13.1083 13.1083 k = 0.0000 0.5000 0.1934 ( 4784 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1652 -16.1652 -16.1652 -16.1652 -10.0338 -10.0338 -10.0338 -10.0338 -9.0607 -9.0607 -9.0607 -9.0607 -8.8509 -8.8509 -8.8509 -8.8509 -7.4954 -7.4954 -7.4954 -7.4954 1.9879 1.9879 1.9879 1.9879 2.2084 2.2084 2.2084 2.2084 2.2717 2.2717 2.2717 2.2717 3.2789 3.2789 3.2789 3.2789 4.0103 4.0103 4.0103 4.0103 4.4269 4.4269 4.4269 4.4269 11.8379 11.8379 11.8379 11.8379 12.8989 12.8989 12.8989 12.8989 13.1100 13.1100 k = 0.0000 0.5000 0.2063 ( 4798 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1653 -16.1653 -16.1653 -16.1653 -10.0336 -10.0336 -10.0336 -10.0336 -9.0605 -9.0605 -9.0605 -9.0605 -8.8526 -8.8526 -8.8526 -8.8526 -7.4935 -7.4935 -7.4935 -7.4935 1.9956 1.9956 1.9956 1.9956 2.1969 2.1969 2.1969 2.1969 2.2698 2.2698 2.2698 2.2698 3.2725 3.2725 3.2725 3.2725 4.0126 4.0126 4.0126 4.0126 4.4340 4.4340 4.4340 4.4340 11.8457 11.8457 11.8457 11.8457 12.9185 12.9185 12.9186 12.9186 13.1115 13.1115 k = 0.0000 0.5000 0.2191 ( 4790 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1653 -16.1653 -16.1653 -16.1653 -10.0333 -10.0333 -10.0333 -10.0333 -9.0602 -9.0602 -9.0602 -9.0602 -8.8541 -8.8541 -8.8541 -8.8541 -7.4919 -7.4919 -7.4919 -7.4919 2.0036 2.0036 2.0036 2.0036 2.1855 2.1855 2.1855 2.1855 2.2681 2.2681 2.2681 2.2681 3.2669 3.2669 3.2669 3.2669 4.0146 4.0146 4.0146 4.0146 4.4403 4.4403 4.4403 4.4403 11.8529 11.8529 11.8529 11.8529 12.9345 12.9345 12.9345 12.9345 13.1130 13.1130 k = 0.0000 0.5000 0.2320 ( 4782 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1653 -16.1653 -16.1653 -16.1653 -10.0331 -10.0331 -10.0331 -10.0331 -9.0600 -9.0600 -9.0600 -9.0600 -8.8554 -8.8554 -8.8554 -8.8554 -7.4904 -7.4904 -7.4904 -7.4904 2.0115 2.0115 2.0115 2.0115 2.1745 2.1745 2.1745 2.1745 2.2668 2.2668 2.2668 2.2668 3.2620 3.2620 3.2620 3.2620 4.0164 4.0164 4.0164 4.0164 4.4458 4.4458 4.4458 4.4458 11.8592 11.8592 11.8592 11.8592 12.9472 12.9472 12.9472 12.9472 13.1142 13.1142 k = 0.0000 0.5000 0.2449 ( 4782 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1653 -16.1653 -16.1653 -16.1653 -10.0330 -10.0330 -10.0330 -10.0330 -9.0598 -9.0598 -9.0598 -9.0598 -8.8565 -8.8565 -8.8565 -8.8565 -7.4892 -7.4892 -7.4892 -7.4892 2.0191 2.0191 2.0191 2.0191 2.1641 2.1641 2.1641 2.1641 2.2656 2.2656 2.2656 2.2656 3.2579 3.2579 3.2579 3.2579 4.0179 4.0179 4.0179 4.0179 4.4504 4.4504 4.4504 4.4504 11.8646 11.8646 11.8646 11.8646 12.9568 12.9568 12.9568 12.9568 13.1153 13.1153 k = 0.0000 0.5000 0.2578 ( 4786 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1653 -16.1653 -16.1653 -16.1653 -10.0328 -10.0328 -10.0328 -10.0328 -9.0597 -9.0597 -9.0597 -9.0597 -8.8574 -8.8574 -8.8574 -8.8574 -7.4882 -7.4882 -7.4882 -7.4882 2.0261 2.0261 2.0261 2.0261 2.1549 2.1549 2.1549 2.1549 2.2648 2.2648 2.2648 2.2648 3.2547 3.2547 3.2547 3.2547 4.0191 4.0191 4.0191 4.0191 4.4540 4.4540 4.4540 4.4540 11.8689 11.8689 11.8689 11.8689 12.9639 12.9639 12.9639 12.9639 13.1162 13.1162 k = 0.0000 0.5000 0.2707 ( 4786 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1653 -16.1653 -16.1653 -16.1653 -10.0327 -10.0327 -10.0327 -10.0327 -9.0596 -9.0596 -9.0596 -9.0596 -8.8580 -8.8580 -8.8580 -8.8580 -7.4875 -7.4875 -7.4875 -7.4875 2.0319 2.0319 2.0319 2.0319 2.1475 2.1475 2.1475 2.1475 2.2641 2.2641 2.2641 2.2641 3.2524 3.2524 3.2524 3.2524 4.0200 4.0200 4.0200 4.0200 4.4565 4.4565 4.4566 4.4566 11.8720 11.8720 11.8720 11.8720 12.9688 12.9688 12.9688 12.9688 13.1168 13.1168 k = 0.0000 0.5000 0.2836 ( 4788 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1653 -16.1653 -16.1653 -16.1653 -10.0327 -10.0327 -10.0327 -10.0327 -9.0595 -9.0595 -9.0595 -9.0595 -8.8584 -8.8584 -8.8584 -8.8584 -7.4871 -7.4871 -7.4871 -7.4871 2.0358 2.0358 2.0358 2.0358 2.1426 2.1426 2.1426 2.1426 2.2637 2.2637 2.2637 2.2637 3.2511 3.2511 3.2511 3.2511 4.0205 4.0205 4.0205 4.0205 4.4581 4.4581 4.4581 4.4581 11.8739 11.8739 11.8739 11.8739 12.9716 12.9716 12.9716 12.9716 13.1172 13.1172 k = 0.0000 0.5000 0.2965 ( 4780 PWs) bands (ev): -27.2043 -27.2043 -27.2043 -27.2043 -16.1653 -16.1653 -16.1653 -16.1653 -10.0326 -10.0326 -10.0326 -10.0326 -9.0595 -9.0595 -9.0595 -9.0595 -8.8585 -8.8585 -8.8585 -8.8585 -7.4869 -7.4869 -7.4869 -7.4869 2.0372 2.0372 2.0372 2.0372 2.1409 2.1409 2.1409 2.1409 2.2636 2.2636 2.2636 2.2636 3.2506 3.2506 3.2506 3.2506 4.0207 4.0207 4.0207 4.0207 4.4586 4.4586 4.4586 4.4586 11.8746 11.8746 11.8746 11.8746 12.9725 12.9725 12.9725 12.9725 13.1173 13.1173 k = 0.5000 0.5000-0.0000 ( 4752 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2151 -16.2151 -16.2151 -16.2151 -10.0131 -10.0131 -10.0131 -10.0131 -8.9792 -8.9792 -8.9792 -8.9792 -8.7843 -8.7843 -8.7843 -8.7843 -7.7727 -7.7727 -7.7727 -7.7727 1.6695 1.6695 1.6695 1.6695 2.4820 2.4820 2.4820 2.4820 2.8225 2.8225 2.8225 2.8225 2.9758 2.9758 2.9758 2.9758 3.9139 3.9139 3.9139 3.9139 4.2898 4.2898 4.2898 4.2898 12.5085 12.5085 12.5085 12.5085 12.9136 12.9136 12.9136 12.9136 14.0341 14.0341 k = 0.5000 0.5000 0.0129 ( 4760 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2151 -16.2151 -16.2151 -16.2151 -10.0131 -10.0131 -10.0131 -10.0131 -8.9793 -8.9793 -8.9793 -8.9793 -8.7843 -8.7843 -8.7843 -8.7843 -7.7724 -7.7724 -7.7724 -7.7724 1.6686 1.6686 1.6686 1.6686 2.4817 2.4817 2.4817 2.4817 2.8232 2.8232 2.8232 2.8232 2.9758 2.9758 2.9758 2.9758 3.9146 3.9146 3.9146 3.9146 4.2895 4.2895 4.2895 4.2895 12.5107 12.5107 12.5107 12.5107 12.9147 12.9147 12.9147 12.9147 14.0346 14.0346 k = 0.5000 0.5000 0.0258 ( 4768 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2151 -16.2151 -16.2151 -16.2151 -10.0132 -10.0132 -10.0132 -10.0132 -8.9797 -8.9797 -8.9797 -8.9797 -8.7843 -8.7843 -8.7843 -8.7843 -7.7717 -7.7717 -7.7717 -7.7717 1.6661 1.6661 1.6661 1.6661 2.4805 2.4805 2.4805 2.4805 2.8251 2.8251 2.8251 2.8251 2.9758 2.9758 2.9758 2.9758 3.9166 3.9166 3.9166 3.9166 4.2884 4.2884 4.2884 4.2884 12.5171 12.5171 12.5171 12.5171 12.9179 12.9179 12.9179 12.9179 14.0361 14.0361 k = 0.5000 0.5000 0.0387 ( 4768 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2151 -16.2151 -16.2151 -16.2151 -10.0134 -10.0134 -10.0134 -10.0134 -8.9803 -8.9803 -8.9803 -8.9803 -8.7842 -8.7842 -8.7842 -8.7842 -7.7706 -7.7706 -7.7706 -7.7706 1.6620 1.6620 1.6620 1.6620 2.4786 2.4786 2.4786 2.4786 2.8282 2.8282 2.8282 2.8282 2.9758 2.9758 2.9758 2.9758 3.9200 3.9200 3.9200 3.9200 4.2867 4.2867 4.2867 4.2867 12.5277 12.5277 12.5277 12.5277 12.9233 12.9233 12.9233 12.9233 14.0385 14.0385 k = 0.5000 0.5000 0.0516 ( 4776 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2151 -16.2151 -16.2151 -16.2151 -10.0136 -10.0136 -10.0136 -10.0136 -8.9811 -8.9811 -8.9811 -8.9811 -8.7841 -8.7841 -8.7841 -8.7841 -7.7691 -7.7691 -7.7691 -7.7691 1.6564 1.6564 1.6564 1.6564 2.4761 2.4761 2.4761 2.4761 2.8325 2.8325 2.8325 2.8325 2.9758 2.9758 2.9758 2.9758 3.9246 3.9246 3.9246 3.9246 4.2843 4.2843 4.2843 4.2843 12.5423 12.5423 12.5423 12.5423 12.9308 12.9308 12.9308 12.9308 14.0418 14.0418 k = 0.5000 0.5000 0.0645 ( 4800 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2151 -16.2151 -16.2151 -16.2151 -10.0139 -10.0139 -10.0139 -10.0139 -8.9821 -8.9821 -8.9821 -8.9821 -8.7840 -8.7840 -8.7840 -8.7840 -7.7671 -7.7671 -7.7671 -7.7671 1.6493 1.6493 1.6493 1.6493 2.4731 2.4731 2.4731 2.4731 2.8378 2.8378 2.8378 2.8378 2.9758 2.9758 2.9758 2.9758 3.9303 3.9303 3.9303 3.9303 4.2814 4.2814 4.2814 4.2814 12.5609 12.5609 12.5609 12.5609 12.9402 12.9402 12.9402 12.9402 14.0460 14.0460 k = 0.5000 0.5000 0.0773 ( 4800 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2151 -16.2151 -16.2151 -16.2151 -10.0142 -10.0142 -10.0142 -10.0142 -8.9834 -8.9834 -8.9834 -8.9834 -8.7839 -8.7839 -8.7839 -8.7839 -7.7648 -7.7648 -7.7648 -7.7648 1.6411 1.6411 1.6411 1.6411 2.4695 2.4695 2.4695 2.4695 2.8440 2.8440 2.8440 2.8440 2.9759 2.9759 2.9759 2.9759 3.9370 3.9370 3.9370 3.9370 4.2779 4.2779 4.2779 4.2779 12.5830 12.5830 12.5830 12.5830 12.9514 12.9514 12.9514 12.9514 14.0510 14.0510 k = 0.5000 0.5000 0.0902 ( 4804 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2151 -16.2151 -16.2151 -16.2151 -10.0146 -10.0146 -10.0146 -10.0146 -8.9847 -8.9847 -8.9847 -8.9847 -8.7837 -8.7837 -8.7837 -8.7837 -7.7622 -7.7622 -7.7622 -7.7622 1.6317 1.6317 1.6317 1.6317 2.4656 2.4656 2.4656 2.4656 2.8509 2.8509 2.8509 2.8509 2.9759 2.9759 2.9759 2.9759 3.9445 3.9445 3.9445 3.9445 4.2739 4.2739 4.2739 4.2739 12.6085 12.6085 12.6085 12.6085 12.9643 12.9643 12.9643 12.9643 14.0568 14.0568 k = 0.5000 0.5000 0.1031 ( 4796 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2151 -16.2151 -16.2151 -16.2151 -10.0150 -10.0150 -10.0150 -10.0150 -8.9862 -8.9862 -8.9862 -8.9862 -8.7835 -8.7835 -8.7835 -8.7835 -7.7594 -7.7594 -7.7594 -7.7594 1.6215 1.6215 1.6216 1.6216 2.4615 2.4615 2.4615 2.4615 2.8584 2.8584 2.8584 2.8584 2.9760 2.9760 2.9760 2.9760 3.9527 3.9527 3.9527 3.9527 4.2695 4.2695 4.2695 4.2695 12.6369 12.6369 12.6369 12.6369 12.9787 12.9787 12.9787 12.9787 14.0631 14.0631 k = 0.5000 0.5000 0.1160 ( 4784 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2151 -16.2151 -16.2151 -16.2151 -10.0154 -10.0154 -10.0154 -10.0154 -8.9878 -8.9878 -8.9878 -8.9878 -8.7833 -8.7833 -8.7833 -8.7833 -7.7563 -7.7563 -7.7563 -7.7563 1.6107 1.6107 1.6107 1.6107 2.4572 2.4572 2.4572 2.4572 2.8663 2.8663 2.8663 2.8663 2.9760 2.9760 2.9760 2.9760 3.9614 3.9614 3.9614 3.9614 4.2647 4.2647 4.2647 4.2647 12.6678 12.6678 12.6678 12.6678 12.9944 12.9944 12.9944 12.9944 14.0699 14.0699 k = 0.5000 0.5000 0.1289 ( 4784 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2151 -16.2151 -16.2151 -16.2151 -10.0159 -10.0159 -10.0159 -10.0159 -8.9895 -8.9895 -8.9895 -8.9895 -8.7831 -8.7831 -8.7831 -8.7831 -7.7531 -7.7531 -7.7531 -7.7531 1.5994 1.5994 1.5994 1.5994 2.4528 2.4528 2.4528 2.4528 2.8745 2.8745 2.8745 2.8745 2.9761 2.9761 2.9761 2.9761 3.9703 3.9703 3.9703 3.9703 4.2598 4.2598 4.2598 4.2598 12.7008 12.7008 12.7008 12.7008 13.0111 13.0111 13.0111 13.0111 14.0770 14.0770 k = 0.5000 0.5000 0.1418 ( 4780 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2150 -16.2150 -16.2150 -16.2150 -10.0163 -10.0163 -10.0163 -10.0163 -8.9913 -8.9913 -8.9913 -8.9913 -8.7829 -8.7829 -8.7829 -8.7829 -7.7498 -7.7498 -7.7498 -7.7498 1.5879 1.5879 1.5879 1.5879 2.4485 2.4485 2.4485 2.4485 2.8828 2.8828 2.8828 2.8828 2.9762 2.9762 2.9762 2.9762 3.9794 3.9794 3.9794 3.9794 4.2547 4.2547 4.2547 4.2547 12.7352 12.7352 12.7352 12.7352 13.0285 13.0285 13.0285 13.0285 14.0843 14.0843 k = 0.5000 0.5000 0.1547 ( 4760 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2150 -16.2150 -16.2150 -16.2150 -10.0168 -10.0168 -10.0168 -10.0168 -8.9930 -8.9930 -8.9930 -8.9930 -8.7827 -8.7827 -8.7827 -8.7827 -7.7464 -7.7464 -7.7464 -7.7464 1.5763 1.5763 1.5763 1.5763 2.4442 2.4442 2.4442 2.4442 2.8911 2.8911 2.8911 2.8911 2.9763 2.9763 2.9763 2.9763 3.9884 3.9884 3.9884 3.9884 4.2496 4.2496 4.2496 4.2496 12.7705 12.7705 12.7705 12.7705 13.0464 13.0464 13.0464 13.0464 14.0914 14.0914 k = 0.5000 0.5000 0.1676 ( 4768 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2150 -16.2150 -16.2150 -16.2150 -10.0173 -10.0173 -10.0173 -10.0173 -8.9947 -8.9947 -8.9947 -8.9947 -8.7824 -8.7824 -8.7824 -8.7824 -7.7432 -7.7432 -7.7432 -7.7432 1.5650 1.5650 1.5650 1.5650 2.4401 2.4401 2.4401 2.4401 2.8991 2.8991 2.8992 2.8992 2.9765 2.9765 2.9765 2.9765 3.9972 3.9972 3.9972 3.9972 4.2446 4.2446 4.2446 4.2446 12.8060 12.8060 12.8060 12.8060 13.0644 13.0644 13.0644 13.0644 14.0981 14.0981 k = 0.5000 0.5000 0.1805 ( 4768 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2150 -16.2150 -16.2150 -16.2150 -10.0177 -10.0177 -10.0177 -10.0177 -8.9963 -8.9963 -8.9963 -8.9963 -8.7822 -8.7822 -8.7822 -8.7822 -7.7400 -7.7400 -7.7400 -7.7400 1.5541 1.5541 1.5541 1.5541 2.4363 2.4363 2.4363 2.4363 2.9069 2.9069 2.9069 2.9069 2.9766 2.9766 2.9766 2.9766 4.0055 4.0055 4.0055 4.0055 4.2397 4.2397 4.2397 4.2397 12.8411 12.8411 12.8411 12.8411 13.0822 13.0822 13.0822 13.0822 14.1042 14.1042 k = 0.5000 0.5000 0.1934 ( 4784 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2150 -16.2150 -16.2150 -16.2150 -10.0182 -10.0182 -10.0182 -10.0182 -8.9979 -8.9979 -8.9979 -8.9979 -8.7820 -8.7820 -8.7820 -8.7820 -7.7370 -7.7370 -7.7370 -7.7370 1.5437 1.5437 1.5437 1.5437 2.4327 2.4327 2.4327 2.4327 2.9142 2.9142 2.9142 2.9142 2.9768 2.9768 2.9768 2.9768 4.0133 4.0133 4.0133 4.0133 4.2351 4.2351 4.2351 4.2351 12.8749 12.8749 12.8749 12.8749 13.0994 13.0994 13.0995 13.0995 14.1097 14.1097 k = 0.5000 0.5000 0.2063 ( 4784 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2150 -16.2150 -16.2150 -16.2150 -10.0186 -10.0186 -10.0186 -10.0186 -8.9994 -8.9994 -8.9994 -8.9994 -8.7818 -8.7818 -8.7818 -8.7818 -7.7342 -7.7342 -7.7342 -7.7342 1.5342 1.5342 1.5342 1.5342 2.4294 2.4294 2.4294 2.4294 2.9209 2.9209 2.9209 2.9209 2.9770 2.9770 2.9770 2.9770 4.0204 4.0204 4.0204 4.0204 4.2308 4.2308 4.2308 4.2308 12.9069 12.9069 12.9069 12.9069 13.1158 13.1158 13.1158 13.1158 14.1147 14.1147 k = 0.5000 0.5000 0.2191 ( 4788 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2150 -16.2150 -16.2150 -16.2150 -10.0190 -10.0190 -10.0190 -10.0190 -9.0007 -9.0007 -9.0007 -9.0007 -8.7817 -8.7817 -8.7817 -8.7817 -7.7316 -7.7316 -7.7316 -7.7316 1.5256 1.5256 1.5256 1.5256 2.4265 2.4265 2.4266 2.4266 2.9269 2.9269 2.9269 2.9269 2.9773 2.9773 2.9773 2.9773 4.0267 4.0267 4.0267 4.0267 4.2270 4.2270 4.2270 4.2270 12.9362 12.9362 12.9362 12.9362 13.1308 13.1308 13.1308 13.1308 14.1194 14.1194 k = 0.5000 0.5000 0.2320 ( 4796 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2150 -16.2150 -16.2150 -16.2150 -10.0193 -10.0193 -10.0193 -10.0193 -9.0019 -9.0019 -9.0019 -9.0019 -8.7815 -8.7815 -8.7815 -8.7815 -7.7294 -7.7294 -7.7294 -7.7294 1.5180 1.5180 1.5180 1.5180 2.4240 2.4240 2.4240 2.4240 2.9321 2.9321 2.9321 2.9321 2.9775 2.9775 2.9775 2.9775 4.0321 4.0321 4.0321 4.0321 4.2237 4.2237 4.2237 4.2237 12.9622 12.9622 12.9622 12.9622 13.1442 13.1442 13.1442 13.1442 14.1240 14.1240 k = 0.5000 0.5000 0.2449 ( 4796 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2150 -16.2150 -16.2150 -16.2150 -10.0196 -10.0196 -10.0196 -10.0196 -9.0028 -9.0028 -9.0028 -9.0028 -8.7814 -8.7814 -8.7814 -8.7814 -7.7275 -7.7275 -7.7275 -7.7275 1.5117 1.5117 1.5117 1.5117 2.4220 2.4220 2.4220 2.4220 2.9364 2.9364 2.9364 2.9364 2.9778 2.9778 2.9778 2.9778 4.0366 4.0366 4.0366 4.0366 4.2210 4.2210 4.2210 4.2210 12.9843 12.9843 12.9843 12.9843 13.1557 13.1557 13.1557 13.1557 14.1283 14.1283 k = 0.5000 0.5000 0.2578 ( 4796 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2150 -16.2150 -16.2150 -16.2150 -10.0198 -10.0198 -10.0198 -10.0198 -9.0036 -9.0036 -9.0036 -9.0036 -8.7813 -8.7813 -8.7813 -8.7813 -7.7260 -7.7260 -7.7260 -7.7260 1.5066 1.5066 1.5066 1.5066 2.4203 2.4203 2.4203 2.4203 2.9398 2.9398 2.9398 2.9398 2.9781 2.9781 2.9781 2.9781 4.0401 4.0401 4.0401 4.0401 4.2188 4.2188 4.2188 4.2188 13.0021 13.0021 13.0021 13.0021 13.1650 13.1650 13.1650 13.1650 14.1320 14.1320 k = 0.5000 0.5000 0.2707 ( 4796 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2150 -16.2150 -16.2150 -16.2150 -10.0199 -10.0199 -10.0199 -10.0199 -9.0042 -9.0042 -9.0042 -9.0042 -8.7812 -8.7812 -8.7812 -8.7812 -7.7249 -7.7249 -7.7249 -7.7249 1.5030 1.5030 1.5030 1.5030 2.4191 2.4191 2.4191 2.4191 2.9422 2.9422 2.9422 2.9422 2.9783 2.9783 2.9783 2.9783 4.0427 4.0427 4.0427 4.0427 4.2173 4.2173 4.2173 4.2173 13.0151 13.0151 13.0151 13.0151 13.1717 13.1717 13.1718 13.1718 14.1349 14.1349 k = 0.5000 0.5000 0.2836 ( 4808 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2150 -16.2150 -16.2150 -16.2150 -10.0200 -10.0200 -10.0200 -10.0200 -9.0045 -9.0045 -9.0045 -9.0045 -8.7812 -8.7812 -8.7812 -8.7812 -7.7242 -7.7242 -7.7242 -7.7242 1.5008 1.5008 1.5008 1.5008 2.4184 2.4184 2.4184 2.4184 2.9437 2.9437 2.9437 2.9437 2.9785 2.9785 2.9785 2.9785 4.0442 4.0442 4.0442 4.0442 4.2163 4.2163 4.2163 4.2163 13.0230 13.0230 13.0230 13.0230 13.1759 13.1759 13.1759 13.1759 14.1368 14.1368 k = 0.5000 0.5000 0.2965 ( 4800 PWs) bands (ev): -27.1907 -27.1907 -27.1907 -27.1907 -16.2150 -16.2150 -16.2150 -16.2150 -10.0201 -10.0201 -10.0201 -10.0201 -9.0046 -9.0046 -9.0046 -9.0046 -8.7811 -8.7811 -8.7811 -8.7811 -7.7240 -7.7240 -7.7240 -7.7240 1.5000 1.5000 1.5000 1.5000 2.4182 2.4182 2.4182 2.4182 2.9442 2.9442 2.9442 2.9442 2.9785 2.9785 2.9785 2.9785 4.0447 4.0447 4.0447 4.0447 4.2160 4.2160 4.2160 4.2160 13.0256 13.0256 13.0256 13.0256 13.1773 13.1773 13.1773 13.1773 14.1374 14.1374 Writing output data file SrClF.save init_run : 0.36s CPU 0.51s WALL ( 1 calls) electrons : 187.61s CPU 191.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 187.60s CPU 191.33s WALL ( 1 calls) v_of_rho : 0.01s 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 : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.10s WALL ( 342 calls) cegterg : 174.99s CPU 177.24s WALL ( 530 calls) Called by sum_band: Called by *egterg: h_psi : 85.58s CPU 87.35s WALL ( 8118 calls) s_psi : 6.72s CPU 6.99s WALL ( 8118 calls) g_psi : 0.31s CPU 0.30s WALL ( 7246 calls) cdiaghg : 69.02s CPU 70.01s WALL ( 7588 calls) cegterg:over : 8.34s CPU 8.25s WALL ( 7246 calls) cegterg:upda : 7.57s CPU 7.38s WALL ( 7246 calls) cegterg:last : 3.67s CPU 3.71s WALL ( 1214 calls) cdiaghg:chol : 3.96s CPU 3.99s WALL ( 7588 calls) cdiaghg:inve : 2.75s CPU 2.84s WALL ( 7588 calls) cdiaghg:para : 4.39s CPU 4.51s WALL ( 15176 calls) Called by h_psi: h_psi:vloc : 69.42s CPU 71.16s WALL ( 8118 calls) h_psi:vnl : 15.91s CPU 15.89s WALL ( 8118 calls) add_vuspsi : 8.38s CPU 8.26s WALL ( 8118 calls) General routines calbec : 7.50s CPU 7.61s WALL ( 8118 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 64.80s CPU 66.13s WALL ( 915404 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.29s WALL ( 684 calls) Parallel routines fft_scatter : 26.46s CPU 27.10s WALL ( 915427 calls) PWSCF : 3m27.77s CPU 3m50.23s WALL This run was terminated on: 17: 6:40 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=