Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:36:13 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: ./AsCl5.save/ 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 77 63 18 3549 2635 396 Max 78 64 19 3554 2652 399 Sum 2807 2303 653 127887 95217 14285 bravais-lattice index = 14 lattice parameter (alat) = 11.7781 a.u. unit-cell volume = 2258.4499 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 80.00 number of Kohn-Sham states= 96 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 224.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.778095 celldm(2)= 1.133137 celldm(3)= 1.219841 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 1.133137 0.000000 ) a(3) = ( 0.000000 0.000000 1.219841 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.882506 -0.000000 ) b(3) = ( 0.000000 0.000000 0.819779 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Cl 7.00 35.45300 Cl( 1.00) 8 Sym. Ops., with inversion, found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6099203 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5665683 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( -0.5665683 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.6099203 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.6099203 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5665683 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.5665683 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6099203 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 292 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0192308 -0.0000000 -0.0000000), wk = 0.0034247 k( 3) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0034247 k( 4) = ( 0.0576923 -0.0000000 -0.0000000), wk = 0.0034247 k( 5) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0034247 k( 6) = ( 0.0961538 -0.0000000 -0.0000000), wk = 0.0034247 k( 7) = ( 0.1153846 -0.0000000 -0.0000000), wk = 0.0034247 k( 8) = ( 0.1346154 -0.0000000 -0.0000000), wk = 0.0034247 k( 9) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0034247 k( 10) = ( 0.1730769 -0.0000000 -0.0000000), wk = 0.0034247 k( 11) = ( 0.1923077 -0.0000000 -0.0000000), wk = 0.0034247 k( 12) = ( 0.2115385 -0.0000000 -0.0000000), wk = 0.0034247 k( 13) = ( 0.2307692 -0.0000000 -0.0000000), wk = 0.0034247 k( 14) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0034247 k( 15) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0034247 k( 16) = ( 0.2884615 -0.0000000 -0.0000000), wk = 0.0034247 k( 17) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0034247 k( 18) = ( 0.3269231 -0.0000000 -0.0000000), wk = 0.0034247 k( 19) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0034247 k( 20) = ( 0.3653846 -0.0000000 -0.0000000), wk = 0.0034247 k( 21) = ( 0.3846154 -0.0000000 -0.0000000), wk = 0.0034247 k( 22) = ( 0.4038462 -0.0000000 -0.0000000), wk = 0.0034247 k( 23) = ( 0.4230769 -0.0000000 -0.0000000), wk = 0.0034247 k( 24) = ( 0.4423077 -0.0000000 -0.0000000), wk = 0.0034247 k( 25) = ( 0.4615385 -0.0000000 -0.0000000), wk = 0.0034247 k( 26) = ( 0.4807692 -0.0000000 -0.0000000), wk = 0.0034247 k( 27) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034247 k( 28) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034247 k( 29) = ( 0.5000000 0.0191849 -0.0000000), wk = 0.0034247 k( 30) = ( 0.5000000 0.0383698 -0.0000000), wk = 0.0034247 k( 31) = ( 0.5000000 0.0575548 -0.0000000), wk = 0.0034247 k( 32) = ( 0.5000000 0.0767397 -0.0000000), wk = 0.0034247 k( 33) = ( 0.5000000 0.0959246 -0.0000000), wk = 0.0034247 k( 34) = ( 0.5000000 0.1151095 -0.0000000), wk = 0.0034247 k( 35) = ( 0.5000000 0.1342944 -0.0000000), wk = 0.0034247 k( 36) = ( 0.5000000 0.1534793 -0.0000000), wk = 0.0034247 k( 37) = ( 0.5000000 0.1726643 -0.0000000), wk = 0.0034247 k( 38) = ( 0.5000000 0.1918492 -0.0000000), wk = 0.0034247 k( 39) = ( 0.5000000 0.2110341 -0.0000000), wk = 0.0034247 k( 40) = ( 0.5000000 0.2302190 -0.0000000), wk = 0.0034247 k( 41) = ( 0.5000000 0.2494039 -0.0000000), wk = 0.0034247 k( 42) = ( 0.5000000 0.2685888 -0.0000000), wk = 0.0034247 k( 43) = ( 0.5000000 0.2877738 -0.0000000), wk = 0.0034247 k( 44) = ( 0.5000000 0.3069587 -0.0000000), wk = 0.0034247 k( 45) = ( 0.5000000 0.3261436 -0.0000000), wk = 0.0034247 k( 46) = ( 0.5000000 0.3453285 -0.0000000), wk = 0.0034247 k( 47) = ( 0.5000000 0.3645134 -0.0000000), wk = 0.0034247 k( 48) = ( 0.5000000 0.3836983 -0.0000000), wk = 0.0034247 k( 49) = ( 0.5000000 0.4028833 -0.0000000), wk = 0.0034247 k( 50) = ( 0.5000000 0.4220682 -0.0000000), wk = 0.0034247 k( 51) = ( 0.5000000 0.4412531 -0.0000000), wk = 0.0034247 k( 52) = ( 0.5000000 0.4412531 -0.0000000), wk = 0.0034247 k( 53) = ( 0.4807692 0.4412531 -0.0000000), wk = 0.0034247 k( 54) = ( 0.4615385 0.4412531 -0.0000000), wk = 0.0034247 k( 55) = ( 0.4423077 0.4412531 -0.0000000), wk = 0.0034247 k( 56) = ( 0.4230769 0.4412531 -0.0000000), wk = 0.0034247 k( 57) = ( 0.4038462 0.4412531 -0.0000000), wk = 0.0034247 k( 58) = ( 0.3846154 0.4412531 -0.0000000), wk = 0.0034247 k( 59) = ( 0.3653846 0.4412531 -0.0000000), wk = 0.0034247 k( 60) = ( 0.3461538 0.4412531 -0.0000000), wk = 0.0034247 k( 61) = ( 0.3269231 0.4412531 -0.0000000), wk = 0.0034247 k( 62) = ( 0.3076923 0.4412531 -0.0000000), wk = 0.0034247 k( 63) = ( 0.2884615 0.4412531 -0.0000000), wk = 0.0034247 k( 64) = ( 0.2692308 0.4412531 -0.0000000), wk = 0.0034247 k( 65) = ( 0.2500000 0.4412531 -0.0000000), wk = 0.0034247 k( 66) = ( 0.2307692 0.4412531 -0.0000000), wk = 0.0034247 k( 67) = ( 0.2115385 0.4412531 -0.0000000), wk = 0.0034247 k( 68) = ( 0.1923077 0.4412531 -0.0000000), wk = 0.0034247 k( 69) = ( 0.1730769 0.4412531 -0.0000000), wk = 0.0034247 k( 70) = ( 0.1538461 0.4412531 -0.0000000), wk = 0.0034247 k( 71) = ( 0.1346154 0.4412531 -0.0000000), wk = 0.0034247 k( 72) = ( 0.1153846 0.4412531 -0.0000000), wk = 0.0034247 k( 73) = ( 0.0961538 0.4412531 -0.0000000), wk = 0.0034247 k( 74) = ( 0.0769231 0.4412531 -0.0000000), wk = 0.0034247 k( 75) = ( 0.0576923 0.4412531 -0.0000000), wk = 0.0034247 k( 76) = ( 0.0384615 0.4412531 -0.0000000), wk = 0.0034247 k( 77) = ( 0.0192308 0.4412531 -0.0000000), wk = 0.0034247 k( 78) = ( 0.0000000 0.4412531 -0.0000000), wk = 0.0034247 k( 79) = ( 0.0000000 0.4412531 -0.0000000), wk = 0.0034247 k( 80) = ( 0.0000000 0.4220682 -0.0000000), wk = 0.0034247 k( 81) = ( 0.0000000 0.4028833 -0.0000000), wk = 0.0034247 k( 82) = ( 0.0000000 0.3836983 -0.0000000), wk = 0.0034247 k( 83) = ( 0.0000000 0.3645134 -0.0000000), wk = 0.0034247 k( 84) = ( 0.0000000 0.3453285 -0.0000000), wk = 0.0034247 k( 85) = ( 0.0000000 0.3261436 -0.0000000), wk = 0.0034247 k( 86) = ( 0.0000000 0.3069587 -0.0000000), wk = 0.0034247 k( 87) = ( 0.0000000 0.2877738 -0.0000000), wk = 0.0034247 k( 88) = ( 0.0000000 0.2685888 -0.0000000), wk = 0.0034247 k( 89) = ( 0.0000000 0.2494039 -0.0000000), wk = 0.0034247 k( 90) = ( 0.0000000 0.2302190 -0.0000000), wk = 0.0034247 k( 91) = ( 0.0000000 0.2110341 -0.0000000), wk = 0.0034247 k( 92) = ( 0.0000000 0.1918492 -0.0000000), wk = 0.0034247 k( 93) = ( 0.0000000 0.1726643 -0.0000000), wk = 0.0034247 k( 94) = ( 0.0000000 0.1534793 -0.0000000), wk = 0.0034247 k( 95) = ( 0.0000000 0.1342944 -0.0000000), wk = 0.0034247 k( 96) = ( 0.0000000 0.1151095 -0.0000000), wk = 0.0034247 k( 97) = ( 0.0000000 0.0959246 -0.0000000), wk = 0.0034247 k( 98) = ( 0.0000000 0.0767397 -0.0000000), wk = 0.0034247 k( 99) = ( 0.0000000 0.0575548 -0.0000000), wk = 0.0034247 k( 100) = ( 0.0000000 0.0383698 -0.0000000), wk = 0.0034247 k( 101) = ( 0.0000000 0.0191849 -0.0000000), wk = 0.0034247 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 104) = ( 0.0000000 0.0000000 0.0195186), wk = 0.0034247 k( 105) = ( 0.0000000 0.0000000 0.0390371), wk = 0.0034247 k( 106) = ( 0.0000000 0.0000000 0.0585557), wk = 0.0034247 k( 107) = ( 0.0000000 0.0000000 0.0780742), wk = 0.0034247 k( 108) = ( 0.0000000 0.0000000 0.0975928), wk = 0.0034247 k( 109) = ( 0.0000000 0.0000000 0.1171113), wk = 0.0034247 k( 110) = ( 0.0000000 0.0000000 0.1366299), wk = 0.0034247 k( 111) = ( 0.0000000 0.0000000 0.1561484), wk = 0.0034247 k( 112) = ( 0.0000000 0.0000000 0.1756670), wk = 0.0034247 k( 113) = ( 0.0000000 0.0000000 0.1951855), wk = 0.0034247 k( 114) = ( 0.0000000 0.0000000 0.2147041), wk = 0.0034247 k( 115) = ( 0.0000000 0.0000000 0.2342227), wk = 0.0034247 k( 116) = ( 0.0000000 0.0000000 0.2537412), wk = 0.0034247 k( 117) = ( 0.0000000 0.0000000 0.2732598), wk = 0.0034247 k( 118) = ( 0.0000000 0.0000000 0.2927783), wk = 0.0034247 k( 119) = ( 0.0000000 0.0000000 0.3122969), wk = 0.0034247 k( 120) = ( 0.0000000 0.0000000 0.3318154), wk = 0.0034247 k( 121) = ( 0.0000000 0.0000000 0.3513340), wk = 0.0034247 k( 122) = ( 0.0000000 0.0000000 0.3708525), wk = 0.0034247 k( 123) = ( 0.0000000 0.0000000 0.3903711), wk = 0.0034247 k( 124) = ( 0.0000000 0.0000000 0.4098896), wk = 0.0034247 k( 125) = ( 0.0000000 0.0000000 0.4098896), wk = 0.0034247 k( 126) = ( 0.0192308 -0.0000000 0.4098896), wk = 0.0034247 k( 127) = ( 0.0384615 -0.0000000 0.4098896), wk = 0.0034247 k( 128) = ( 0.0576923 -0.0000000 0.4098896), wk = 0.0034247 k( 129) = ( 0.0769231 -0.0000000 0.4098896), wk = 0.0034247 k( 130) = ( 0.0961538 -0.0000000 0.4098896), wk = 0.0034247 k( 131) = ( 0.1153846 -0.0000000 0.4098896), wk = 0.0034247 k( 132) = ( 0.1346154 -0.0000000 0.4098896), wk = 0.0034247 k( 133) = ( 0.1538461 -0.0000000 0.4098896), wk = 0.0034247 k( 134) = ( 0.1730769 -0.0000000 0.4098896), wk = 0.0034247 k( 135) = ( 0.1923077 -0.0000000 0.4098896), wk = 0.0034247 k( 136) = ( 0.2115385 -0.0000000 0.4098896), wk = 0.0034247 k( 137) = ( 0.2307692 -0.0000000 0.4098896), wk = 0.0034247 k( 138) = ( 0.2500000 -0.0000000 0.4098896), wk = 0.0034247 k( 139) = ( 0.2692308 -0.0000000 0.4098896), wk = 0.0034247 k( 140) = ( 0.2884615 -0.0000000 0.4098896), wk = 0.0034247 k( 141) = ( 0.3076923 -0.0000000 0.4098896), wk = 0.0034247 k( 142) = ( 0.3269231 -0.0000000 0.4098896), wk = 0.0034247 k( 143) = ( 0.3461538 -0.0000000 0.4098896), wk = 0.0034247 k( 144) = ( 0.3653846 -0.0000000 0.4098896), wk = 0.0034247 k( 145) = ( 0.3846154 -0.0000000 0.4098896), wk = 0.0034247 k( 146) = ( 0.4038462 -0.0000000 0.4098896), wk = 0.0034247 k( 147) = ( 0.4230769 -0.0000000 0.4098896), wk = 0.0034247 k( 148) = ( 0.4423077 -0.0000000 0.4098896), wk = 0.0034247 k( 149) = ( 0.4615385 -0.0000000 0.4098896), wk = 0.0034247 k( 150) = ( 0.4807692 -0.0000000 0.4098896), wk = 0.0034247 k( 151) = ( 0.5000000 -0.0000000 0.4098896), wk = 0.0034247 k( 152) = ( 0.5000000 -0.0000000 0.4098896), wk = 0.0034247 k( 153) = ( 0.5000000 0.0191849 0.4098896), wk = 0.0034247 k( 154) = ( 0.5000000 0.0383698 0.4098896), wk = 0.0034247 k( 155) = ( 0.5000000 0.0575548 0.4098896), wk = 0.0034247 k( 156) = ( 0.5000000 0.0767397 0.4098896), wk = 0.0034247 k( 157) = ( 0.5000000 0.0959246 0.4098896), wk = 0.0034247 k( 158) = ( 0.5000000 0.1151095 0.4098896), wk = 0.0034247 k( 159) = ( 0.5000000 0.1342944 0.4098896), wk = 0.0034247 k( 160) = ( 0.5000000 0.1534793 0.4098896), wk = 0.0034247 k( 161) = ( 0.5000000 0.1726643 0.4098896), wk = 0.0034247 k( 162) = ( 0.5000000 0.1918492 0.4098896), wk = 0.0034247 k( 163) = ( 0.5000000 0.2110341 0.4098896), wk = 0.0034247 k( 164) = ( 0.5000000 0.2302190 0.4098896), wk = 0.0034247 k( 165) = ( 0.5000000 0.2494039 0.4098896), wk = 0.0034247 k( 166) = ( 0.5000000 0.2685888 0.4098896), wk = 0.0034247 k( 167) = ( 0.5000000 0.2877738 0.4098896), wk = 0.0034247 k( 168) = ( 0.5000000 0.3069587 0.4098896), wk = 0.0034247 k( 169) = ( 0.5000000 0.3261436 0.4098896), wk = 0.0034247 k( 170) = ( 0.5000000 0.3453285 0.4098896), wk = 0.0034247 k( 171) = ( 0.5000000 0.3645134 0.4098896), wk = 0.0034247 k( 172) = ( 0.5000000 0.3836983 0.4098896), wk = 0.0034247 k( 173) = ( 0.5000000 0.4028833 0.4098896), wk = 0.0034247 k( 174) = ( 0.5000000 0.4220682 0.4098896), wk = 0.0034247 k( 175) = ( 0.5000000 0.4412531 0.4098896), wk = 0.0034247 k( 176) = ( 0.5000000 0.4412531 0.4098896), wk = 0.0034247 k( 177) = ( 0.4807692 0.4412531 0.4098896), wk = 0.0034247 k( 178) = ( 0.4615385 0.4412531 0.4098896), wk = 0.0034247 k( 179) = ( 0.4423077 0.4412531 0.4098896), wk = 0.0034247 k( 180) = ( 0.4230769 0.4412531 0.4098896), wk = 0.0034247 k( 181) = ( 0.4038462 0.4412531 0.4098896), wk = 0.0034247 k( 182) = ( 0.3846154 0.4412531 0.4098896), wk = 0.0034247 k( 183) = ( 0.3653846 0.4412531 0.4098896), wk = 0.0034247 k( 184) = ( 0.3461538 0.4412531 0.4098896), wk = 0.0034247 k( 185) = ( 0.3269231 0.4412531 0.4098896), wk = 0.0034247 k( 186) = ( 0.3076923 0.4412531 0.4098896), wk = 0.0034247 k( 187) = ( 0.2884615 0.4412531 0.4098896), wk = 0.0034247 k( 188) = ( 0.2692308 0.4412531 0.4098896), wk = 0.0034247 k( 189) = ( 0.2500000 0.4412531 0.4098896), wk = 0.0034247 k( 190) = ( 0.2307692 0.4412531 0.4098896), wk = 0.0034247 k( 191) = ( 0.2115385 0.4412531 0.4098896), wk = 0.0034247 k( 192) = ( 0.1923077 0.4412531 0.4098896), wk = 0.0034247 k( 193) = ( 0.1730769 0.4412531 0.4098896), wk = 0.0034247 k( 194) = ( 0.1538461 0.4412531 0.4098896), wk = 0.0034247 k( 195) = ( 0.1346154 0.4412531 0.4098896), wk = 0.0034247 k( 196) = ( 0.1153846 0.4412531 0.4098896), wk = 0.0034247 k( 197) = ( 0.0961538 0.4412531 0.4098896), wk = 0.0034247 k( 198) = ( 0.0769231 0.4412531 0.4098896), wk = 0.0034247 k( 199) = ( 0.0576923 0.4412531 0.4098896), wk = 0.0034247 k( 200) = ( 0.0384615 0.4412531 0.4098896), wk = 0.0034247 k( 201) = ( 0.0192308 0.4412531 0.4098896), wk = 0.0034247 k( 202) = ( 0.0000000 0.4412531 0.4098896), wk = 0.0034247 k( 203) = ( 0.0000000 0.4412531 0.4098896), wk = 0.0034247 k( 204) = ( 0.0000000 0.4220682 0.4098896), wk = 0.0034247 k( 205) = ( 0.0000000 0.4028833 0.4098896), wk = 0.0034247 k( 206) = ( 0.0000000 0.3836983 0.4098896), wk = 0.0034247 k( 207) = ( 0.0000000 0.3645134 0.4098896), wk = 0.0034247 k( 208) = ( 0.0000000 0.3453285 0.4098896), wk = 0.0034247 k( 209) = ( 0.0000000 0.3261436 0.4098896), wk = 0.0034247 k( 210) = ( 0.0000000 0.3069587 0.4098896), wk = 0.0034247 k( 211) = ( 0.0000000 0.2877738 0.4098896), wk = 0.0034247 k( 212) = ( 0.0000000 0.2685888 0.4098896), wk = 0.0034247 k( 213) = ( 0.0000000 0.2494039 0.4098896), wk = 0.0034247 k( 214) = ( 0.0000000 0.2302190 0.4098896), wk = 0.0034247 k( 215) = ( 0.0000000 0.2110341 0.4098896), wk = 0.0034247 k( 216) = ( 0.0000000 0.1918492 0.4098896), wk = 0.0034247 k( 217) = ( 0.0000000 0.1726643 0.4098896), wk = 0.0034247 k( 218) = ( 0.0000000 0.1534793 0.4098896), wk = 0.0034247 k( 219) = ( 0.0000000 0.1342944 0.4098896), wk = 0.0034247 k( 220) = ( 0.0000000 0.1151095 0.4098896), wk = 0.0034247 k( 221) = ( 0.0000000 0.0959246 0.4098896), wk = 0.0034247 k( 222) = ( 0.0000000 0.0767397 0.4098896), wk = 0.0034247 k( 223) = ( 0.0000000 0.0575548 0.4098896), wk = 0.0034247 k( 224) = ( 0.0000000 0.0383698 0.4098896), wk = 0.0034247 k( 225) = ( 0.0000000 0.0191849 0.4098896), wk = 0.0034247 k( 226) = ( 0.0000000 0.0000000 0.4098896), wk = 0.0034247 k( 227) = ( 0.0000000 0.4412531 -0.0000000), wk = 0.0034247 k( 228) = ( 0.0000000 0.4412531 0.0195186), wk = 0.0034247 k( 229) = ( 0.0000000 0.4412531 0.0390371), wk = 0.0034247 k( 230) = ( 0.0000000 0.4412531 0.0585557), wk = 0.0034247 k( 231) = ( 0.0000000 0.4412531 0.0780742), wk = 0.0034247 k( 232) = ( 0.0000000 0.4412531 0.0975928), wk = 0.0034247 k( 233) = ( 0.0000000 0.4412531 0.1171113), wk = 0.0034247 k( 234) = ( 0.0000000 0.4412531 0.1366299), wk = 0.0034247 k( 235) = ( 0.0000000 0.4412531 0.1561484), wk = 0.0034247 k( 236) = ( 0.0000000 0.4412531 0.1756670), wk = 0.0034247 k( 237) = ( 0.0000000 0.4412531 0.1951855), wk = 0.0034247 k( 238) = ( 0.0000000 0.4412531 0.2147041), wk = 0.0034247 k( 239) = ( 0.0000000 0.4412531 0.2342227), wk = 0.0034247 k( 240) = ( 0.0000000 0.4412531 0.2537412), wk = 0.0034247 k( 241) = ( 0.0000000 0.4412531 0.2732598), wk = 0.0034247 k( 242) = ( 0.0000000 0.4412531 0.2927783), wk = 0.0034247 k( 243) = ( 0.0000000 0.4412531 0.3122969), wk = 0.0034247 k( 244) = ( 0.0000000 0.4412531 0.3318154), wk = 0.0034247 k( 245) = ( 0.0000000 0.4412531 0.3513340), wk = 0.0034247 k( 246) = ( 0.0000000 0.4412531 0.3708525), wk = 0.0034247 k( 247) = ( 0.0000000 0.4412531 0.3903711), wk = 0.0034247 k( 248) = ( 0.0000000 0.4412531 0.4098896), wk = 0.0034247 k( 249) = ( 0.5000000 -0.0000000 0.4098896), wk = 0.0034247 k( 250) = ( 0.5000000 -0.0000000 0.3903711), wk = 0.0034247 k( 251) = ( 0.5000000 -0.0000000 0.3708525), wk = 0.0034247 k( 252) = ( 0.5000000 -0.0000000 0.3513340), wk = 0.0034247 k( 253) = ( 0.5000000 -0.0000000 0.3318154), wk = 0.0034247 k( 254) = ( 0.5000000 -0.0000000 0.3122969), wk = 0.0034247 k( 255) = ( 0.5000000 -0.0000000 0.2927783), wk = 0.0034247 k( 256) = ( 0.5000000 -0.0000000 0.2732598), wk = 0.0034247 k( 257) = ( 0.5000000 -0.0000000 0.2537412), wk = 0.0034247 k( 258) = ( 0.5000000 -0.0000000 0.2342227), wk = 0.0034247 k( 259) = ( 0.5000000 -0.0000000 0.2147041), wk = 0.0034247 k( 260) = ( 0.5000000 -0.0000000 0.1951855), wk = 0.0034247 k( 261) = ( 0.5000000 -0.0000000 0.1756670), wk = 0.0034247 k( 262) = ( 0.5000000 -0.0000000 0.1561484), wk = 0.0034247 k( 263) = ( 0.5000000 -0.0000000 0.1366299), wk = 0.0034247 k( 264) = ( 0.5000000 -0.0000000 0.1171113), wk = 0.0034247 k( 265) = ( 0.5000000 -0.0000000 0.0975928), wk = 0.0034247 k( 266) = ( 0.5000000 -0.0000000 0.0780742), wk = 0.0034247 k( 267) = ( 0.5000000 -0.0000000 0.0585557), wk = 0.0034247 k( 268) = ( 0.5000000 -0.0000000 0.0390371), wk = 0.0034247 k( 269) = ( 0.5000000 -0.0000000 0.0195186), wk = 0.0034247 k( 270) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034247 k( 271) = ( 0.5000000 0.4412531 -0.0000000), wk = 0.0034247 k( 272) = ( 0.5000000 0.4412531 0.0195186), wk = 0.0034247 k( 273) = ( 0.5000000 0.4412531 0.0390371), wk = 0.0034247 k( 274) = ( 0.5000000 0.4412531 0.0585557), wk = 0.0034247 k( 275) = ( 0.5000000 0.4412531 0.0780742), wk = 0.0034247 k( 276) = ( 0.5000000 0.4412531 0.0975928), wk = 0.0034247 k( 277) = ( 0.5000000 0.4412531 0.1171113), wk = 0.0034247 k( 278) = ( 0.5000000 0.4412531 0.1366299), wk = 0.0034247 k( 279) = ( 0.5000000 0.4412531 0.1561484), wk = 0.0034247 k( 280) = ( 0.5000000 0.4412531 0.1756670), wk = 0.0034247 k( 281) = ( 0.5000000 0.4412531 0.1951855), wk = 0.0034247 k( 282) = ( 0.5000000 0.4412531 0.2147041), wk = 0.0034247 k( 283) = ( 0.5000000 0.4412531 0.2342227), wk = 0.0034247 k( 284) = ( 0.5000000 0.4412531 0.2537412), wk = 0.0034247 k( 285) = ( 0.5000000 0.4412531 0.2732598), wk = 0.0034247 k( 286) = ( 0.5000000 0.4412531 0.2927783), wk = 0.0034247 k( 287) = ( 0.5000000 0.4412531 0.3122969), wk = 0.0034247 k( 288) = ( 0.5000000 0.4412531 0.3318154), wk = 0.0034247 k( 289) = ( 0.5000000 0.4412531 0.3513340), wk = 0.0034247 k( 290) = ( 0.5000000 0.4412531 0.3708525), wk = 0.0034247 k( 291) = ( 0.5000000 0.4412531 0.3903711), wk = 0.0034247 k( 292) = ( 0.5000000 0.4412531 0.4098896), wk = 0.0034247 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0192308 -0.0000000 0.0000000), wk = 0.0034247 k( 3) = ( 0.0384615 -0.0000000 0.0000000), wk = 0.0034247 k( 4) = ( 0.0576923 0.0000000 0.0000000), wk = 0.0034247 k( 5) = ( 0.0769231 -0.0000000 0.0000000), wk = 0.0034247 k( 6) = ( 0.0961538 0.0000000 0.0000000), wk = 0.0034247 k( 7) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0034247 k( 8) = ( 0.1346154 0.0000000 -0.0000000), wk = 0.0034247 k( 9) = ( 0.1538461 0.0000000 -0.0000000), wk = 0.0034247 k( 10) = ( 0.1730769 0.0000000 0.0000000), wk = 0.0034247 k( 11) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0034247 k( 12) = ( 0.2115385 0.0000000 0.0000000), wk = 0.0034247 k( 13) = ( 0.2307692 0.0000000 -0.0000000), wk = 0.0034247 k( 14) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0034247 k( 15) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0034247 k( 16) = ( 0.2884615 0.0000000 0.0000000), wk = 0.0034247 k( 17) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0034247 k( 18) = ( 0.3269231 0.0000000 -0.0000000), wk = 0.0034247 k( 19) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0034247 k( 20) = ( 0.3653846 0.0000000 0.0000000), wk = 0.0034247 k( 21) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0034247 k( 22) = ( 0.4038462 0.0000000 0.0000000), wk = 0.0034247 k( 23) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0034247 k( 24) = ( 0.4423077 0.0000000 0.0000000), wk = 0.0034247 k( 25) = ( 0.4615385 0.0000000 -0.0000000), wk = 0.0034247 k( 26) = ( 0.4807692 0.0000000 0.0000000), wk = 0.0034247 k( 27) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034247 k( 28) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034247 k( 29) = ( 0.5000000 0.0217391 -0.0000000), wk = 0.0034247 k( 30) = ( 0.5000000 0.0434783 0.0000000), wk = 0.0034247 k( 31) = ( 0.5000000 0.0652174 -0.0000000), wk = 0.0034247 k( 32) = ( 0.5000000 0.0869565 0.0000000), wk = 0.0034247 k( 33) = ( 0.5000000 0.1086956 0.0000000), wk = 0.0034247 k( 34) = ( 0.5000000 0.1304348 0.0000000), wk = 0.0034247 k( 35) = ( 0.5000000 0.1521739 -0.0000000), wk = 0.0034247 k( 36) = ( 0.5000000 0.1739130 -0.0000000), wk = 0.0034247 k( 37) = ( 0.5000000 0.1956522 -0.0000000), wk = 0.0034247 k( 38) = ( 0.5000000 0.2173913 -0.0000000), wk = 0.0034247 k( 39) = ( 0.5000000 0.2391304 0.0000000), wk = 0.0034247 k( 40) = ( 0.5000000 0.2608696 0.0000000), wk = 0.0034247 k( 41) = ( 0.5000000 0.2826087 -0.0000000), wk = 0.0034247 k( 42) = ( 0.5000000 0.3043478 -0.0000000), wk = 0.0034247 k( 43) = ( 0.5000000 0.3260870 0.0000000), wk = 0.0034247 k( 44) = ( 0.5000000 0.3478261 0.0000000), wk = 0.0034247 k( 45) = ( 0.5000000 0.3695652 0.0000000), wk = 0.0034247 k( 46) = ( 0.5000000 0.3913043 0.0000000), wk = 0.0034247 k( 47) = ( 0.5000000 0.4130435 0.0000000), wk = 0.0034247 k( 48) = ( 0.5000000 0.4347826 0.0000000), wk = 0.0034247 k( 49) = ( 0.5000000 0.4565217 -0.0000000), wk = 0.0034247 k( 50) = ( 0.5000000 0.4782609 -0.0000000), wk = 0.0034247 k( 51) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034247 k( 52) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034247 k( 53) = ( 0.4807692 0.5000000 -0.0000000), wk = 0.0034247 k( 54) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0034247 k( 55) = ( 0.4423077 0.5000000 -0.0000000), wk = 0.0034247 k( 56) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0034247 k( 57) = ( 0.4038462 0.5000000 0.0000000), wk = 0.0034247 k( 58) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0034247 k( 59) = ( 0.3653846 0.5000000 -0.0000000), wk = 0.0034247 k( 60) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0034247 k( 61) = ( 0.3269231 0.5000000 0.0000000), wk = 0.0034247 k( 62) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0034247 k( 63) = ( 0.2884615 0.5000000 -0.0000000), wk = 0.0034247 k( 64) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0034247 k( 65) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0034247 k( 66) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0034247 k( 67) = ( 0.2115385 0.5000000 0.0000000), wk = 0.0034247 k( 68) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0034247 k( 69) = ( 0.1730769 0.5000000 0.0000000), wk = 0.0034247 k( 70) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0034247 k( 71) = ( 0.1346154 0.5000000 0.0000000), wk = 0.0034247 k( 72) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0034247 k( 73) = ( 0.0961538 0.5000000 0.0000000), wk = 0.0034247 k( 74) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0034247 k( 75) = ( 0.0576923 0.5000000 -0.0000000), wk = 0.0034247 k( 76) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0034247 k( 77) = ( 0.0192308 0.5000000 -0.0000000), wk = 0.0034247 k( 78) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034247 k( 79) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034247 k( 80) = ( 0.0000000 0.4782609 -0.0000000), wk = 0.0034247 k( 81) = ( 0.0000000 0.4565217 -0.0000000), wk = 0.0034247 k( 82) = ( 0.0000000 0.4347826 -0.0000000), wk = 0.0034247 k( 83) = ( 0.0000000 0.4130435 -0.0000000), wk = 0.0034247 k( 84) = ( 0.0000000 0.3913044 -0.0000000), wk = 0.0034247 k( 85) = ( 0.0000000 0.3695652 0.0000000), wk = 0.0034247 k( 86) = ( 0.0000000 0.3478261 -0.0000000), wk = 0.0034247 k( 87) = ( 0.0000000 0.3260870 -0.0000000), wk = 0.0034247 k( 88) = ( 0.0000000 0.3043478 -0.0000000), wk = 0.0034247 k( 89) = ( 0.0000000 0.2826087 -0.0000000), wk = 0.0034247 k( 90) = ( 0.0000000 0.2608696 -0.0000000), wk = 0.0034247 k( 91) = ( 0.0000000 0.2391304 -0.0000000), wk = 0.0034247 k( 92) = ( 0.0000000 0.2173913 -0.0000000), wk = 0.0034247 k( 93) = ( 0.0000000 0.1956522 -0.0000000), wk = 0.0034247 k( 94) = ( 0.0000000 0.1739130 -0.0000000), wk = 0.0034247 k( 95) = ( 0.0000000 0.1521739 -0.0000000), wk = 0.0034247 k( 96) = ( 0.0000000 0.1304348 -0.0000000), wk = 0.0034247 k( 97) = ( 0.0000000 0.1086957 -0.0000000), wk = 0.0034247 k( 98) = ( 0.0000000 0.0869565 -0.0000000), wk = 0.0034247 k( 99) = ( 0.0000000 0.0652174 -0.0000000), wk = 0.0034247 k( 100) = ( 0.0000000 0.0434783 -0.0000000), wk = 0.0034247 k( 101) = ( 0.0000000 0.0217391 -0.0000000), wk = 0.0034247 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 104) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0034247 k( 105) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0034247 k( 106) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0034247 k( 107) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0034247 k( 108) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0034247 k( 109) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0034247 k( 110) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034247 k( 111) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0034247 k( 112) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0034247 k( 113) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0034247 k( 114) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0034247 k( 115) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0034247 k( 116) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0034247 k( 117) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034247 k( 118) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0034247 k( 119) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0034247 k( 120) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0034247 k( 121) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0034247 k( 122) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0034247 k( 123) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0034247 k( 124) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 125) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 126) = ( 0.0192308 -0.0000000 0.5000000), wk = 0.0034247 k( 127) = ( 0.0384615 -0.0000000 0.5000000), wk = 0.0034247 k( 128) = ( 0.0576923 0.0000000 0.5000000), wk = 0.0034247 k( 129) = ( 0.0769231 -0.0000000 0.5000000), wk = 0.0034247 k( 130) = ( 0.0961538 0.0000000 0.5000000), wk = 0.0034247 k( 131) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0034247 k( 132) = ( 0.1346154 0.0000000 0.5000000), wk = 0.0034247 k( 133) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0034247 k( 134) = ( 0.1730769 0.0000000 0.5000000), wk = 0.0034247 k( 135) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0034247 k( 136) = ( 0.2115385 0.0000000 0.5000000), wk = 0.0034247 k( 137) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0034247 k( 138) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0034247 k( 139) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0034247 k( 140) = ( 0.2884615 0.0000000 0.5000000), wk = 0.0034247 k( 141) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0034247 k( 142) = ( 0.3269231 0.0000000 0.5000000), wk = 0.0034247 k( 143) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0034247 k( 144) = ( 0.3653846 0.0000000 0.5000000), wk = 0.0034247 k( 145) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0034247 k( 146) = ( 0.4038462 0.0000000 0.5000000), wk = 0.0034247 k( 147) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0034247 k( 148) = ( 0.4423077 0.0000000 0.5000000), wk = 0.0034247 k( 149) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0034247 k( 150) = ( 0.4807692 0.0000000 0.5000000), wk = 0.0034247 k( 151) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034247 k( 152) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034247 k( 153) = ( 0.5000000 0.0217391 0.5000000), wk = 0.0034247 k( 154) = ( 0.5000000 0.0434783 0.5000000), wk = 0.0034247 k( 155) = ( 0.5000000 0.0652174 0.5000000), wk = 0.0034247 k( 156) = ( 0.5000000 0.0869565 0.5000000), wk = 0.0034247 k( 157) = ( 0.5000000 0.1086956 0.5000000), wk = 0.0034247 k( 158) = ( 0.5000000 0.1304348 0.5000000), wk = 0.0034247 k( 159) = ( 0.5000000 0.1521739 0.5000000), wk = 0.0034247 k( 160) = ( 0.5000000 0.1739130 0.5000000), wk = 0.0034247 k( 161) = ( 0.5000000 0.1956522 0.5000000), wk = 0.0034247 k( 162) = ( 0.5000000 0.2173913 0.5000000), wk = 0.0034247 k( 163) = ( 0.5000000 0.2391304 0.5000000), wk = 0.0034247 k( 164) = ( 0.5000000 0.2608696 0.5000000), wk = 0.0034247 k( 165) = ( 0.5000000 0.2826087 0.5000000), wk = 0.0034247 k( 166) = ( 0.5000000 0.3043478 0.5000000), wk = 0.0034247 k( 167) = ( 0.5000000 0.3260870 0.5000000), wk = 0.0034247 k( 168) = ( 0.5000000 0.3478261 0.5000000), wk = 0.0034247 k( 169) = ( 0.5000000 0.3695652 0.5000000), wk = 0.0034247 k( 170) = ( 0.5000000 0.3913043 0.5000000), wk = 0.0034247 k( 171) = ( 0.5000000 0.4130435 0.5000000), wk = 0.0034247 k( 172) = ( 0.5000000 0.4347826 0.5000000), wk = 0.0034247 k( 173) = ( 0.5000000 0.4565217 0.5000000), wk = 0.0034247 k( 174) = ( 0.5000000 0.4782609 0.5000000), wk = 0.0034247 k( 175) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 176) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 177) = ( 0.4807692 0.5000000 0.5000000), wk = 0.0034247 k( 178) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0034247 k( 179) = ( 0.4423077 0.5000000 0.5000000), wk = 0.0034247 k( 180) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0034247 k( 181) = ( 0.4038462 0.5000000 0.5000000), wk = 0.0034247 k( 182) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0034247 k( 183) = ( 0.3653846 0.5000000 0.5000000), wk = 0.0034247 k( 184) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0034247 k( 185) = ( 0.3269231 0.5000000 0.5000000), wk = 0.0034247 k( 186) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0034247 k( 187) = ( 0.2884615 0.5000000 0.5000000), wk = 0.0034247 k( 188) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0034247 k( 189) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0034247 k( 190) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0034247 k( 191) = ( 0.2115385 0.5000000 0.5000000), wk = 0.0034247 k( 192) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0034247 k( 193) = ( 0.1730769 0.5000000 0.5000000), wk = 0.0034247 k( 194) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0034247 k( 195) = ( 0.1346154 0.5000000 0.5000000), wk = 0.0034247 k( 196) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0034247 k( 197) = ( 0.0961538 0.5000000 0.5000000), wk = 0.0034247 k( 198) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0034247 k( 199) = ( 0.0576923 0.5000000 0.5000000), wk = 0.0034247 k( 200) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0034247 k( 201) = ( 0.0192308 0.5000000 0.5000000), wk = 0.0034247 k( 202) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034247 k( 203) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034247 k( 204) = ( 0.0000000 0.4782609 0.5000000), wk = 0.0034247 k( 205) = ( 0.0000000 0.4565217 0.5000000), wk = 0.0034247 k( 206) = ( 0.0000000 0.4347826 0.5000000), wk = 0.0034247 k( 207) = ( 0.0000000 0.4130435 0.5000000), wk = 0.0034247 k( 208) = ( 0.0000000 0.3913044 0.5000000), wk = 0.0034247 k( 209) = ( 0.0000000 0.3695652 0.5000000), wk = 0.0034247 k( 210) = ( 0.0000000 0.3478261 0.5000000), wk = 0.0034247 k( 211) = ( 0.0000000 0.3260870 0.5000000), wk = 0.0034247 k( 212) = ( 0.0000000 0.3043478 0.5000000), wk = 0.0034247 k( 213) = ( 0.0000000 0.2826087 0.5000000), wk = 0.0034247 k( 214) = ( 0.0000000 0.2608696 0.5000000), wk = 0.0034247 k( 215) = ( 0.0000000 0.2391304 0.5000000), wk = 0.0034247 k( 216) = ( 0.0000000 0.2173913 0.5000000), wk = 0.0034247 k( 217) = ( 0.0000000 0.1956522 0.5000000), wk = 0.0034247 k( 218) = ( 0.0000000 0.1739130 0.5000000), wk = 0.0034247 k( 219) = ( 0.0000000 0.1521739 0.5000000), wk = 0.0034247 k( 220) = ( 0.0000000 0.1304348 0.5000000), wk = 0.0034247 k( 221) = ( 0.0000000 0.1086957 0.5000000), wk = 0.0034247 k( 222) = ( 0.0000000 0.0869565 0.5000000), wk = 0.0034247 k( 223) = ( 0.0000000 0.0652174 0.5000000), wk = 0.0034247 k( 224) = ( 0.0000000 0.0434783 0.5000000), wk = 0.0034247 k( 225) = ( 0.0000000 0.0217391 0.5000000), wk = 0.0034247 k( 226) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 227) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034247 k( 228) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0034247 k( 229) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0034247 k( 230) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0034247 k( 231) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0034247 k( 232) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0034247 k( 233) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0034247 k( 234) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0034247 k( 235) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0034247 k( 236) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0034247 k( 237) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0034247 k( 238) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0034247 k( 239) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0034247 k( 240) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0034247 k( 241) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0034247 k( 242) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0034247 k( 243) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0034247 k( 244) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0034247 k( 245) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0034247 k( 246) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0034247 k( 247) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0034247 k( 248) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034247 k( 249) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034247 k( 250) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0034247 k( 251) = ( 0.5000000 0.0000000 0.4523810), wk = 0.0034247 k( 252) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0034247 k( 253) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0034247 k( 254) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0034247 k( 255) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0034247 k( 256) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0034247 k( 257) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0034247 k( 258) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0034247 k( 259) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0034247 k( 260) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0034247 k( 261) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0034247 k( 262) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0034247 k( 263) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0034247 k( 264) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0034247 k( 265) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0034247 k( 266) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0034247 k( 267) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0034247 k( 268) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0034247 k( 269) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0034247 k( 270) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034247 k( 271) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034247 k( 272) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0034247 k( 273) = ( 0.5000000 0.5000000 0.0476190), wk = 0.0034247 k( 274) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0034247 k( 275) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0034247 k( 276) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0034247 k( 277) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0034247 k( 278) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0034247 k( 279) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0034247 k( 280) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0034247 k( 281) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0034247 k( 282) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0034247 k( 283) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0034247 k( 284) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0034247 k( 285) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0034247 k( 286) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0034247 k( 287) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0034247 k( 288) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0034247 k( 289) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0034247 k( 290) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0034247 k( 291) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0034247 k( 292) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 Dense grid: 127887 G-vectors FFT dimensions: ( 60, 64, 72) Smooth grid: 95217 G-vectors FFT dimensions: ( 54, 60, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.99 Mb ( 676, 96) NL pseudopotentials 1.90 Mb ( 338, 368) Each V/rho on FFT grid 0.12 Mb ( 7680) Each G-vector array 0.03 Mb ( 3554) G-vector shells 0.01 Mb ( 1816) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.96 Mb ( 676, 384) Each subspace H/S matrix 0.14 Mb ( 96, 96) Each matrix 1.08 Mb ( 368, 2, 96) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./AsCl5.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 6.1 secs Computing kpt #: 3 total cpu time spent up to now is 8.2 secs Computing kpt #: 4 total cpu time spent up to now is 10.4 secs Computing kpt #: 5 total cpu time spent up to now is 12.6 secs Computing kpt #: 6 total cpu time spent up to now is 14.8 secs Computing kpt #: 7 total cpu time spent up to now is 16.9 secs Computing kpt #: 8 total cpu time spent up to now is 19.1 secs Computing kpt #: 9 total cpu time spent up to now is 21.2 secs Computing kpt #: 10 total cpu time spent up to now is 23.1 secs Computing kpt #: 11 total cpu time spent up to now is 24.9 secs Computing kpt #: 12 total cpu time spent up to now is 26.7 secs Computing kpt #: 13 total cpu time spent up to now is 28.5 secs Computing kpt #: 14 total cpu time spent up to now is 30.3 secs Computing kpt #: 15 total cpu time spent up to now is 32.0 secs Computing kpt #: 16 total cpu time spent up to now is 33.8 secs Computing kpt #: 17 total cpu time spent up to now is 35.5 secs Computing kpt #: 18 total cpu time spent up to now is 37.2 secs Computing kpt #: 19 total cpu time spent up to now is 38.9 secs Computing kpt #: 20 total cpu time spent up to now is 40.6 secs Computing kpt #: 21 total cpu time spent up to now is 42.3 secs Computing kpt #: 22 total cpu time spent up to now is 44.0 secs Computing kpt #: 23 total cpu time spent up to now is 45.6 secs Computing kpt #: 24 total cpu time spent up to now is 47.3 secs Computing kpt #: 25 total cpu time spent up to now is 49.0 secs Computing kpt #: 26 total cpu time spent up to now is 50.7 secs Computing kpt #: 27 total cpu time spent up to now is 52.3 secs Computing kpt #: 28 total cpu time spent up to now is 54.0 secs Computing kpt #: 29 total cpu time spent up to now is 55.7 secs Computing kpt #: 30 total cpu time spent up to now is 57.4 secs Computing kpt #: 31 total cpu time spent up to now is 59.0 secs Computing kpt #: 32 total cpu time spent up to now is 60.7 secs Computing kpt #: 33 total cpu time spent up to now is 62.4 secs Computing kpt #: 34 total cpu time spent up to now is 64.1 secs Computing kpt #: 35 total cpu time spent up to now is 65.7 secs Computing kpt #: 36 total cpu time spent up to now is 67.4 secs Computing kpt #: 37 total cpu time spent up to now is 69.1 secs Computing kpt #: 38 total cpu time spent up to now is 70.8 secs Computing kpt #: 39 total cpu time spent up to now is 72.5 secs Computing kpt #: 40 total cpu time spent up to now is 74.1 secs Computing kpt #: 41 total cpu time spent up to now is 75.8 secs Computing kpt #: 42 total cpu time spent up to now is 77.5 secs Computing kpt #: 43 total cpu time spent up to now is 79.2 secs Computing kpt #: 44 total cpu time spent up to now is 80.9 secs Computing kpt #: 45 total cpu time spent up to now is 82.5 secs Computing kpt #: 46 total cpu time spent up to now is 84.2 secs Computing kpt #: 47 total cpu time spent up to now is 85.8 secs Computing kpt #: 48 total cpu time spent up to now is 87.5 secs Computing kpt #: 49 total cpu time spent up to now is 89.1 secs Computing kpt #: 50 total cpu time spent up to now is 90.8 secs Computing kpt #: 51 total cpu time spent up to now is 92.5 secs Computing kpt #: 52 total cpu time spent up to now is 94.1 secs Computing kpt #: 53 total cpu time spent up to now is 95.7 secs Computing kpt #: 54 total cpu time spent up to now is 97.4 secs Computing kpt #: 55 total cpu time spent up to now is 99.1 secs Computing kpt #: 56 total cpu time spent up to now is 100.7 secs Computing kpt #: 57 total cpu time spent up to now is 102.4 secs Computing kpt #: 58 total cpu time spent up to now is 104.1 secs Computing kpt #: 59 total cpu time spent up to now is 105.8 secs Computing kpt #: 60 total cpu time spent up to now is 107.5 secs Computing kpt #: 61 total cpu time spent up to now is 109.2 secs Computing kpt #: 62 total cpu time spent up to now is 110.9 secs Computing kpt #: 63 total cpu time spent up to now is 112.5 secs Computing kpt #: 64 total cpu time spent up to now is 114.2 secs Computing kpt #: 65 total cpu time spent up to now is 115.9 secs Computing kpt #: 66 total cpu time spent up to now is 117.6 secs Computing kpt #: 67 total cpu time spent up to now is 119.3 secs Computing kpt #: 68 total cpu time spent up to now is 121.1 secs Computing kpt #: 69 total cpu time spent up to now is 122.8 secs Computing kpt #: 70 total cpu time spent up to now is 124.5 secs Computing kpt #: 71 total cpu time spent up to now is 126.2 secs Computing kpt #: 72 total cpu time spent up to now is 127.9 secs Computing kpt #: 73 total cpu time spent up to now is 129.6 secs Computing kpt #: 74 total cpu time spent up to now is 131.3 secs Computing kpt #: 75 total cpu time spent up to now is 133.0 secs Computing kpt #: 76 total cpu time spent up to now is 134.7 secs Computing kpt #: 77 total cpu time spent up to now is 136.4 secs Computing kpt #: 78 total cpu time spent up to now is 138.1 secs Computing kpt #: 79 total cpu time spent up to now is 139.9 secs Computing kpt #: 80 total cpu time spent up to now is 141.6 secs Computing kpt #: 81 total cpu time spent up to now is 143.3 secs Computing kpt #: 82 total cpu time spent up to now is 145.0 secs Computing kpt #: 83 total cpu time spent up to now is 146.7 secs Computing kpt #: 84 total cpu time spent up to now is 148.5 secs Computing kpt #: 85 total cpu time spent up to now is 150.2 secs Computing kpt #: 86 total cpu time spent up to now is 151.9 secs Computing kpt #: 87 total cpu time spent up to now is 153.6 secs Computing kpt #: 88 total cpu time spent up to now is 155.4 secs Computing kpt #: 89 total cpu time spent up to now is 157.1 secs Computing kpt #: 90 total cpu time spent up to now is 158.9 secs Computing kpt #: 91 total cpu time spent up to now is 160.7 secs Computing kpt #: 92 total cpu time spent up to now is 162.5 secs Computing kpt #: 93 total cpu time spent up to now is 164.4 secs Computing kpt #: 94 total cpu time spent up to now is 166.5 secs Computing kpt #: 95 total cpu time spent up to now is 168.7 secs Computing kpt #: 96 total cpu time spent up to now is 170.9 secs Computing kpt #: 97 total cpu time spent up to now is 173.1 secs Computing kpt #: 98 total cpu time spent up to now is 175.3 secs Computing kpt #: 99 total cpu time spent up to now is 177.5 secs Computing kpt #: 100 total cpu time spent up to now is 179.7 secs Computing kpt #: 101 total cpu time spent up to now is 181.8 secs Computing kpt #: 102 total cpu time spent up to now is 184.0 secs Computing kpt #: 103 total cpu time spent up to now is 186.2 secs Computing kpt #: 104 total cpu time spent up to now is 188.4 secs Computing kpt #: 105 total cpu time spent up to now is 190.6 secs Computing kpt #: 106 total cpu time spent up to now is 192.8 secs Computing kpt #: 107 total cpu time spent up to now is 194.6 secs Computing kpt #: 108 total cpu time spent up to now is 196.5 secs Computing kpt #: 109 total cpu time spent up to now is 198.3 secs Computing kpt #: 110 total cpu time spent up to now is 200.1 secs Computing kpt #: 111 total cpu time spent up to now is 201.9 secs Computing kpt #: 112 total cpu time spent up to now is 203.7 secs Computing kpt #: 113 total cpu time spent up to now is 205.5 secs Computing kpt #: 114 total cpu time spent up to now is 207.3 secs Computing kpt #: 115 total cpu time spent up to now is 209.0 secs Computing kpt #: 116 total cpu time spent up to now is 210.8 secs Computing kpt #: 117 total cpu time spent up to now is 212.5 secs Computing kpt #: 118 total cpu time spent up to now is 214.2 secs Computing kpt #: 119 total cpu time spent up to now is 215.9 secs Computing kpt #: 120 total cpu time spent up to now is 217.6 secs Computing kpt #: 121 total cpu time spent up to now is 219.3 secs Computing kpt #: 122 total cpu time spent up to now is 221.1 secs Computing kpt #: 123 total cpu time spent up to now is 222.7 secs Computing kpt #: 124 total cpu time spent up to now is 224.4 secs Computing kpt #: 125 total cpu time spent up to now is 226.1 secs Computing kpt #: 126 total cpu time spent up to now is 227.7 secs Computing kpt #: 127 total cpu time spent up to now is 229.4 secs Computing kpt #: 128 total cpu time spent up to now is 231.1 secs Computing kpt #: 129 total cpu time spent up to now is 232.8 secs Computing kpt #: 130 total cpu time spent up to now is 234.4 secs Computing kpt #: 131 total cpu time spent up to now is 236.1 secs Computing kpt #: 132 total cpu time spent up to now is 237.8 secs Computing kpt #: 133 total cpu time spent up to now is 239.5 secs Computing kpt #: 134 total cpu time spent up to now is 241.1 secs Computing kpt #: 135 total cpu time spent up to now is 242.8 secs Computing kpt #: 136 total cpu time spent up to now is 244.5 secs Computing kpt #: 137 total cpu time spent up to now is 246.2 secs Computing kpt #: 138 total cpu time spent up to now is 247.8 secs Computing kpt #: 139 total cpu time spent up to now is 249.5 secs Computing kpt #: 140 total cpu time spent up to now is 251.2 secs Computing kpt #: 141 total cpu time spent up to now is 253.0 secs Computing kpt #: 142 total cpu time spent up to now is 254.9 secs Computing kpt #: 143 total cpu time spent up to now is 256.6 secs Computing kpt #: 144 total cpu time spent up to now is 258.3 secs Computing kpt #: 145 total cpu time spent up to now is 259.9 secs Computing kpt #: 146 total cpu time spent up to now is 261.6 secs Computing kpt #: 147 total cpu time spent up to now is 263.2 secs Computing kpt #: 148 total cpu time spent up to now is 264.9 secs Computing kpt #: 149 total cpu time spent up to now is 266.5 secs Computing kpt #: 150 total cpu time spent up to now is 268.1 secs Computing kpt #: 151 total cpu time spent up to now is 269.8 secs Computing kpt #: 152 total cpu time spent up to now is 271.4 secs Computing kpt #: 153 total cpu time spent up to now is 273.1 secs Computing kpt #: 154 total cpu time spent up to now is 274.7 secs Computing kpt #: 155 total cpu time spent up to now is 276.3 secs Computing kpt #: 156 total cpu time spent up to now is 278.0 secs Computing kpt #: 157 total cpu time spent up to now is 279.6 secs Computing kpt #: 158 total cpu time spent up to now is 281.3 secs Computing kpt #: 159 total cpu time spent up to now is 282.9 secs Computing kpt #: 160 total cpu time spent up to now is 284.6 secs Computing kpt #: 161 total cpu time spent up to now is 286.2 secs Computing kpt #: 162 total cpu time spent up to now is 287.9 secs Computing kpt #: 163 total cpu time spent up to now is 289.5 secs Computing kpt #: 164 total cpu time spent up to now is 291.2 secs Computing kpt #: 165 total cpu time spent up to now is 292.8 secs Computing kpt #: 166 total cpu time spent up to now is 294.4 secs Computing kpt #: 167 total cpu time spent up to now is 296.1 secs Computing kpt #: 168 total cpu time spent up to now is 297.7 secs Computing kpt #: 169 total cpu time spent up to now is 299.4 secs Computing kpt #: 170 total cpu time spent up to now is 301.0 secs Computing kpt #: 171 total cpu time spent up to now is 302.7 secs Computing kpt #: 172 total cpu time spent up to now is 304.3 secs Computing kpt #: 173 total cpu time spent up to now is 306.0 secs Computing kpt #: 174 total cpu time spent up to now is 307.6 secs Computing kpt #: 175 total cpu time spent up to now is 309.3 secs Computing kpt #: 176 total cpu time spent up to now is 311.0 secs Computing kpt #: 177 total cpu time spent up to now is 312.6 secs Computing kpt #: 178 total cpu time spent up to now is 314.3 secs Computing kpt #: 179 total cpu time spent up to now is 316.0 secs Computing kpt #: 180 total cpu time spent up to now is 317.7 secs Computing kpt #: 181 total cpu time spent up to now is 319.3 secs Computing kpt #: 182 total cpu time spent up to now is 321.0 secs Computing kpt #: 183 total cpu time spent up to now is 322.7 secs Computing kpt #: 184 total cpu time spent up to now is 324.3 secs Computing kpt #: 185 total cpu time spent up to now is 326.0 secs Computing kpt #: 186 total cpu time spent up to now is 327.6 secs Computing kpt #: 187 total cpu time spent up to now is 329.2 secs Computing kpt #: 188 total cpu time spent up to now is 330.9 secs Computing kpt #: 189 total cpu time spent up to now is 332.5 secs Computing kpt #: 190 total cpu time spent up to now is 334.2 secs Computing kpt #: 191 total cpu time spent up to now is 335.8 secs Computing kpt #: 192 total cpu time spent up to now is 337.5 secs Computing kpt #: 193 total cpu time spent up to now is 339.1 secs Computing kpt #: 194 total cpu time spent up to now is 340.8 secs Computing kpt #: 195 total cpu time spent up to now is 342.4 secs Computing kpt #: 196 total cpu time spent up to now is 344.1 secs Computing kpt #: 197 total cpu time spent up to now is 345.8 secs Computing kpt #: 198 total cpu time spent up to now is 347.4 secs Computing kpt #: 199 total cpu time spent up to now is 349.1 secs Computing kpt #: 200 total cpu time spent up to now is 351.2 secs Computing kpt #: 201 total cpu time spent up to now is 352.8 secs Computing kpt #: 202 total cpu time spent up to now is 354.5 secs Computing kpt #: 203 total cpu time spent up to now is 356.1 secs Computing kpt #: 204 total cpu time spent up to now is 357.8 secs Computing kpt #: 205 total cpu time spent up to now is 359.5 secs Computing kpt #: 206 total cpu time spent up to now is 361.1 secs Computing kpt #: 207 total cpu time spent up to now is 362.8 secs Computing kpt #: 208 total cpu time spent up to now is 364.5 secs Computing kpt #: 209 total cpu time spent up to now is 366.1 secs Computing kpt #: 210 total cpu time spent up to now is 367.8 secs Computing kpt #: 211 total cpu time spent up to now is 369.5 secs Computing kpt #: 212 total cpu time spent up to now is 371.2 secs Computing kpt #: 213 total cpu time spent up to now is 372.9 secs Computing kpt #: 214 total cpu time spent up to now is 374.5 secs Computing kpt #: 215 total cpu time spent up to now is 376.2 secs Computing kpt #: 216 total cpu time spent up to now is 377.9 secs Computing kpt #: 217 total cpu time spent up to now is 379.6 secs Computing kpt #: 218 total cpu time spent up to now is 381.3 secs Computing kpt #: 219 total cpu time spent up to now is 383.0 secs Computing kpt #: 220 total cpu time spent up to now is 384.7 secs Computing kpt #: 221 total cpu time spent up to now is 386.3 secs Computing kpt #: 222 total cpu time spent up to now is 388.0 secs Computing kpt #: 223 total cpu time spent up to now is 389.7 secs Computing kpt #: 224 total cpu time spent up to now is 391.4 secs Computing kpt #: 225 total cpu time spent up to now is 393.1 secs Computing kpt #: 226 total cpu time spent up to now is 394.7 secs Computing kpt #: 227 total cpu time spent up to now is 396.4 secs Computing kpt #: 228 total cpu time spent up to now is 398.1 secs Computing kpt #: 229 total cpu time spent up to now is 399.8 secs Computing kpt #: 230 total cpu time spent up to now is 401.5 secs Computing kpt #: 231 total cpu time spent up to now is 403.2 secs Computing kpt #: 232 total cpu time spent up to now is 404.9 secs Computing kpt #: 233 total cpu time spent up to now is 406.6 secs Computing kpt #: 234 total cpu time spent up to now is 408.3 secs Computing kpt #: 235 total cpu time spent up to now is 410.0 secs Computing kpt #: 236 total cpu time spent up to now is 411.7 secs Computing kpt #: 237 total cpu time spent up to now is 413.4 secs Computing kpt #: 238 total cpu time spent up to now is 415.1 secs Computing kpt #: 239 total cpu time spent up to now is 416.7 secs Computing kpt #: 240 total cpu time spent up to now is 418.4 secs Computing kpt #: 241 total cpu time spent up to now is 420.1 secs Computing kpt #: 242 total cpu time spent up to now is 421.8 secs Computing kpt #: 243 total cpu time spent up to now is 423.4 secs Computing kpt #: 244 total cpu time spent up to now is 425.1 secs Computing kpt #: 245 total cpu time spent up to now is 426.8 secs Computing kpt #: 246 total cpu time spent up to now is 428.4 secs Computing kpt #: 247 total cpu time spent up to now is 430.1 secs Computing kpt #: 248 total cpu time spent up to now is 431.8 secs Computing kpt #: 249 total cpu time spent up to now is 433.4 secs Computing kpt #: 250 total cpu time spent up to now is 435.0 secs Computing kpt #: 251 total cpu time spent up to now is 436.7 secs Computing kpt #: 252 total cpu time spent up to now is 438.3 secs Computing kpt #: 253 total cpu time spent up to now is 439.9 secs Computing kpt #: 254 total cpu time spent up to now is 441.6 secs Computing kpt #: 255 total cpu time spent up to now is 443.2 secs Computing kpt #: 256 total cpu time spent up to now is 444.9 secs Computing kpt #: 257 total cpu time spent up to now is 446.5 secs Computing kpt #: 258 total cpu time spent up to now is 448.2 secs Computing kpt #: 259 total cpu time spent up to now is 449.8 secs Computing kpt #: 260 total cpu time spent up to now is 451.5 secs Computing kpt #: 261 total cpu time spent up to now is 453.2 secs Computing kpt #: 262 total cpu time spent up to now is 454.8 secs Computing kpt #: 263 total cpu time spent up to now is 456.5 secs Computing kpt #: 264 total cpu time spent up to now is 458.2 secs Computing kpt #: 265 total cpu time spent up to now is 459.9 secs Computing kpt #: 266 total cpu time spent up to now is 461.6 secs Computing kpt #: 267 total cpu time spent up to now is 463.2 secs Computing kpt #: 268 total cpu time spent up to now is 464.9 secs Computing kpt #: 269 total cpu time spent up to now is 466.6 secs Computing kpt #: 270 total cpu time spent up to now is 468.3 secs Computing kpt #: 271 total cpu time spent up to now is 469.9 secs Computing kpt #: 272 total cpu time spent up to now is 471.6 secs Computing kpt #: 273 total cpu time spent up to now is 473.2 secs Computing kpt #: 274 total cpu time spent up to now is 474.9 secs Computing kpt #: 275 total cpu time spent up to now is 476.5 secs Computing kpt #: 276 total cpu time spent up to now is 478.2 secs Computing kpt #: 277 total cpu time spent up to now is 479.8 secs Computing kpt #: 278 total cpu time spent up to now is 481.5 secs Computing kpt #: 279 total cpu time spent up to now is 483.2 secs Computing kpt #: 280 total cpu time spent up to now is 484.8 secs Computing kpt #: 281 total cpu time spent up to now is 486.5 secs Computing kpt #: 282 total cpu time spent up to now is 488.2 secs Computing kpt #: 283 total cpu time spent up to now is 489.9 secs Computing kpt #: 284 total cpu time spent up to now is 491.6 secs Computing kpt #: 285 total cpu time spent up to now is 493.2 secs Computing kpt #: 286 total cpu time spent up to now is 494.9 secs Computing kpt #: 287 total cpu time spent up to now is 496.6 secs Computing kpt #: 288 total cpu time spent up to now is 498.3 secs Computing kpt #: 289 total cpu time spent up to now is 499.9 secs Computing kpt #: 290 total cpu time spent up to now is 501.6 secs Computing kpt #: 291 total cpu time spent up to now is 503.3 secs Computing kpt #: 292 total cpu time spent up to now is 505.0 secs ethr = 1.25E-08, avg # of iterations = 14.2 total cpu time spent up to now is 505.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11923 PWs) bands (ev): -15.6920 -15.6920 -15.6005 -15.6005 -13.6175 -13.6175 -13.6031 -13.6031 -13.5857 -13.5857 -13.5553 -13.5553 -12.8558 -12.8558 -12.7974 -12.7974 -12.5107 -12.5107 -12.3654 -12.3654 -8.6408 -8.6408 -8.3924 -8.3924 -4.4154 -4.4154 -4.3569 -4.3569 -3.9409 -3.9409 -3.8955 -3.8955 -3.6143 -3.6143 -3.5229 -3.5229 -1.7566 -1.7566 -1.5339 -1.5339 -1.5100 -1.5100 -1.4396 -1.4396 -1.3509 -1.3509 -1.3135 -1.3135 -1.2068 -1.2068 -1.0861 -1.0861 -1.0413 -1.0413 -1.0401 -1.0401 -0.5789 -0.5789 -0.5552 -0.5552 -0.5175 -0.5175 0.0427 0.0427 0.0487 0.0487 0.1969 0.1969 0.1990 0.1990 0.2603 0.2603 0.6080 0.6080 0.6677 0.6677 0.7356 0.7356 0.7599 0.7599 2.4351 2.4351 2.6879 2.6879 5.8853 5.8853 5.8943 5.8943 6.1792 6.1792 6.3750 6.3750 7.6439 7.6439 7.7401 7.7401 k = 0.0192-0.0000-0.0000 ( 11921 PWs) bands (ev): -15.6918 -15.6918 -15.6004 -15.6004 -13.6180 -13.6180 -13.6034 -13.6034 -13.5858 -13.5858 -13.5553 -13.5553 -12.8558 -12.8558 -12.7974 -12.7974 -12.5104 -12.5104 -12.3654 -12.3654 -8.6404 -8.6404 -8.3924 -8.3924 -4.4147 -4.4147 -4.3560 -4.3560 -3.9416 -3.9416 -3.8954 -3.8954 -3.6142 -3.6142 -3.5229 -3.5229 -1.7562 -1.7562 -1.5415 -1.5415 -1.5052 -1.5052 -1.4420 -1.4420 -1.3487 -1.3487 -1.3117 -1.3117 -1.2073 -1.2073 -1.0868 -1.0868 -1.0425 -1.0425 -1.0412 -1.0412 -0.5783 -0.5783 -0.5532 -0.5532 -0.5161 -0.5161 0.0415 0.0415 0.0487 0.0487 0.1958 0.1958 0.1993 0.1993 0.2603 0.2603 0.6079 0.6079 0.6674 0.6674 0.7356 0.7356 0.7607 0.7607 2.4355 2.4355 2.6874 2.6874 5.8831 5.8831 5.8953 5.8953 6.1775 6.1775 6.3748 6.3748 7.6440 7.6440 7.7424 7.7424 k = 0.0385-0.0000-0.0000 ( 11923 PWs) bands (ev): -15.6912 -15.6912 -15.6002 -15.6002 -13.6195 -13.6195 -13.6042 -13.6042 -13.5860 -13.5860 -13.5554 -13.5554 -12.8557 -12.8557 -12.7975 -12.7975 -12.5095 -12.5095 -12.3653 -12.3653 -8.6391 -8.6391 -8.3924 -8.3924 -4.4127 -4.4127 -4.3533 -4.3533 -3.9437 -3.9437 -3.8949 -3.8949 -3.6139 -3.6139 -3.5229 -3.5229 -1.7550 -1.7550 -1.5564 -1.5564 -1.4996 -1.4996 -1.4467 -1.4467 -1.3441 -1.3441 -1.3056 -1.3056 -1.2088 -1.2088 -1.0891 -1.0891 -1.0458 -1.0458 -1.0445 -1.0445 -0.5763 -0.5763 -0.5474 -0.5474 -0.5118 -0.5118 0.0382 0.0382 0.0485 0.0485 0.1934 0.1934 0.1993 0.1993 0.2603 0.2603 0.6074 0.6074 0.6667 0.6667 0.7357 0.7357 0.7631 0.7631 2.4369 2.4369 2.6860 2.6860 5.8782 5.8782 5.8968 5.8968 6.1725 6.1725 6.3741 6.3741 7.6442 7.6442 7.7492 7.7492 k = 0.0577-0.0000-0.0000 ( 11909 PWs) bands (ev): -15.6902 -15.6902 -15.5998 -15.5998 -13.6220 -13.6220 -13.6056 -13.6056 -13.5862 -13.5862 -13.5554 -13.5554 -12.8556 -12.8556 -12.7976 -12.7976 -12.5080 -12.5080 -12.3653 -12.3653 -8.6370 -8.6370 -8.3923 -8.3923 -4.4093 -4.4093 -4.3489 -4.3489 -3.9471 -3.9471 -3.8942 -3.8942 -3.6133 -3.6133 -3.5229 -3.5229 -1.7529 -1.7529 -1.5740 -1.5740 -1.5003 -1.5003 -1.4489 -1.4489 -1.3403 -1.3403 -1.2947 -1.2947 -1.2113 -1.2113 -1.0929 -1.0929 -1.0513 -1.0513 -1.0498 -1.0498 -0.5725 -0.5725 -0.5385 -0.5385 -0.5047 -0.5047 0.0328 0.0328 0.0480 0.0480 0.1902 0.1902 0.1987 0.1987 0.2603 0.2603 0.6068 0.6068 0.6654 0.6654 0.7360 0.7360 0.7667 0.7667 2.4392 2.4392 2.6836 2.6836 5.8718 5.8718 5.8974 5.8974 6.1644 6.1644 6.3728 6.3728 7.6446 7.6446 7.7605 7.7605 k = 0.0769-0.0000-0.0000 ( 11907 PWs) bands (ev): -15.6888 -15.6888 -15.5993 -15.5993 -13.6254 -13.6254 -13.6077 -13.6077 -13.5864 -13.5864 -13.5555 -13.5555 -12.8555 -12.8555 -12.7977 -12.7977 -12.5060 -12.5060 -12.3652 -12.3652 -8.6341 -8.6341 -8.3921 -8.3921 -4.4046 -4.4046 -4.3428 -4.3428 -3.9515 -3.9515 -3.8936 -3.8936 -3.6125 -3.6125 -3.5230 -3.5230 -1.7499 -1.7499 -1.5930 -1.5930 -1.5084 -1.5084 -1.4464 -1.4464 -1.3384 -1.3384 -1.2802 -1.2802 -1.2145 -1.2145 -1.0983 -1.0983 -1.0588 -1.0588 -1.0571 -1.0571 -0.5665 -0.5665 -0.5270 -0.5270 -0.4949 -0.4949 0.0257 0.0257 0.0472 0.0472 0.1862 0.1862 0.1975 0.1975 0.2602 0.2602 0.6059 0.6059 0.6638 0.6638 0.7370 0.7370 0.7711 0.7711 2.4421 2.4421 2.6804 2.6804 5.8643 5.8643 5.8970 5.8970 6.1534 6.1534 6.3708 6.3708 7.6453 7.6453 7.7764 7.7764 k = 0.0962-0.0000-0.0000 ( 11907 PWs) bands (ev): -15.6870 -15.6870 -15.5987 -15.5987 -13.6296 -13.6296 -13.6105 -13.6105 -13.5866 -13.5866 -13.5555 -13.5555 -12.8553 -12.8553 -12.7978 -12.7978 -12.5035 -12.5035 -12.3652 -12.3652 -8.6305 -8.6305 -8.3920 -8.3920 -4.3985 -4.3985 -4.3350 -4.3350 -3.9568 -3.9568 -3.8931 -3.8931 -3.6116 -3.6116 -3.5230 -3.5230 -1.7462 -1.7462 -1.6129 -1.6129 -1.5210 -1.5210 -1.4414 -1.4414 -1.3378 -1.3378 -1.2641 -1.2641 -1.2181 -1.2181 -1.1055 -1.1055 -1.0684 -1.0684 -1.0656 -1.0656 -0.5583 -0.5583 -0.5133 -0.5133 -0.4826 -0.4826 0.0169 0.0169 0.0463 0.0463 0.1815 0.1815 0.1957 0.1957 0.2601 0.2601 0.6048 0.6048 0.6617 0.6617 0.7385 0.7385 0.7762 0.7762 2.4455 2.4455 2.6764 2.6764 5.8560 5.8560 5.8955 5.8955 6.1400 6.1400 6.3678 6.3678 7.6461 7.6461 7.7967 7.7967 k = 0.1154-0.0000-0.0000 ( 11903 PWs) bands (ev): -15.6848 -15.6848 -15.5979 -15.5979 -13.6346 -13.6346 -13.6140 -13.6140 -13.5867 -13.5867 -13.5556 -13.5556 -12.8551 -12.8551 -12.7980 -12.7980 -12.5004 -12.5004 -12.3652 -12.3652 -8.6260 -8.6260 -8.3920 -8.3920 -4.3912 -4.3912 -4.3258 -4.3258 -3.9627 -3.9627 -3.8928 -3.8928 -3.6104 -3.6104 -3.5231 -3.5231 -1.7417 -1.7417 -1.6334 -1.6334 -1.5355 -1.5355 -1.4360 -1.4360 -1.3379 -1.3379 -1.2497 -1.2497 -1.2202 -1.2202 -1.1147 -1.1147 -1.0799 -1.0799 -1.0749 -1.0749 -0.5480 -0.5480 -0.4978 -0.4978 -0.4681 -0.4681 0.0068 0.0068 0.0453 0.0453 0.1761 0.1761 0.1933 0.1933 0.2599 0.2599 0.6036 0.6036 0.6594 0.6594 0.7407 0.7407 0.7816 0.7816 2.4493 2.4493 2.6717 2.6717 5.8471 5.8471 5.8928 5.8928 6.1245 6.1245 6.3636 6.3636 7.6471 7.6471 7.8215 7.8215 k = 0.1346-0.0000-0.0000 ( 11919 PWs) bands (ev): -15.6823 -15.6823 -15.5971 -15.5971 -13.6403 -13.6403 -13.6181 -13.6181 -13.5868 -13.5868 -13.5558 -13.5558 -12.8549 -12.8549 -12.7981 -12.7981 -12.4969 -12.4969 -12.3652 -12.3652 -8.6208 -8.6208 -8.3920 -8.3920 -4.3826 -4.3826 -4.3151 -4.3151 -3.9692 -3.9692 -3.8928 -3.8928 -3.6090 -3.6090 -3.5232 -3.5232 -1.7365 -1.7365 -1.6542 -1.6542 -1.5506 -1.5506 -1.4313 -1.4313 -1.3385 -1.3385 -1.2436 -1.2436 -1.2157 -1.2157 -1.1263 -1.1263 -1.0926 -1.0926 -1.0842 -1.0842 -0.5355 -0.5355 -0.4809 -0.4809 -0.4514 -0.4514 -0.0044 -0.0044 0.0443 0.0443 0.1703 0.1703 0.1903 0.1903 0.2597 0.2597 0.6023 0.6023 0.6569 0.6569 0.7435 0.7435 0.7874 0.7874 2.4531 2.4531 2.6665 2.6665 5.8376 5.8376 5.8891 5.8891 6.1073 6.1073 6.3582 6.3582 7.6483 7.6483 7.8505 7.8505 k = 0.1538-0.0000-0.0000 ( 11921 PWs) bands (ev): -15.6795 -15.6795 -15.5962 -15.5962 -13.6465 -13.6465 -13.6227 -13.6227 -13.5868 -13.5868 -13.5559 -13.5559 -12.8546 -12.8546 -12.7984 -12.7984 -12.4930 -12.4930 -12.3653 -12.3653 -8.6150 -8.6150 -8.3921 -8.3921 -4.3729 -4.3729 -4.3032 -4.3032 -3.9760 -3.9760 -3.8930 -3.8930 -3.6075 -3.6075 -3.5233 -3.5233 -1.7308 -1.7308 -1.6748 -1.6748 -1.5656 -1.5656 -1.4275 -1.4275 -1.3394 -1.3394 -1.2472 -1.2472 -1.2045 -1.2045 -1.1404 -1.1404 -1.1057 -1.1057 -1.0928 -1.0928 -0.5212 -0.5212 -0.4627 -0.4627 -0.4329 -0.4329 -0.0163 -0.0163 0.0435 0.0435 0.1640 0.1640 0.1868 0.1868 0.2593 0.2593 0.6010 0.6010 0.6542 0.6542 0.7468 0.7468 0.7933 0.7933 2.4566 2.4566 2.6608 2.6608 5.8278 5.8278 5.8845 5.8845 6.0888 6.0888 6.3515 6.3515 7.6498 7.6498 7.8825 7.8825 k = 0.1731-0.0000-0.0000 ( 11921 PWs) bands (ev): -15.6764 -15.6764 -15.5952 -15.5952 -13.6533 -13.6533 -13.6279 -13.6279 -13.5867 -13.5867 -13.5560 -13.5560 -12.8543 -12.8543 -12.7986 -12.7986 -12.4886 -12.4886 -12.3655 -12.3655 -8.6085 -8.6085 -8.3924 -8.3924 -4.3620 -4.3620 -4.2902 -4.2902 -3.9831 -3.9831 -3.8936 -3.8936 -3.6058 -3.6058 -3.5235 -3.5235 -1.7253 -1.7253 -1.6943 -1.6943 -1.5803 -1.5803 -1.4248 -1.4248 -1.3404 -1.3404 -1.2546 -1.2546 -1.1955 -1.1955 -1.1566 -1.1566 -1.1171 -1.1171 -1.1000 -1.1000 -0.5052 -0.5052 -0.4438 -0.4438 -0.4128 -0.4128 -0.0287 -0.0287 0.0428 0.0428 0.1574 0.1574 0.1829 0.1829 0.2589 0.2589 0.5995 0.5995 0.6516 0.6516 0.7504 0.7504 0.7992 0.7992 2.4597 2.4597 2.6550 2.6550 5.8176 5.8176 5.8791 5.8791 6.0693 6.0693 6.3435 6.3435 7.6516 7.6516 7.8957 7.8957 k = 0.1923-0.0000-0.0000 ( 11905 PWs) bands (ev): -15.6730 -15.6730 -15.5942 -15.5942 -13.6604 -13.6604 -13.6335 -13.6335 -13.5865 -13.5865 -13.5561 -13.5561 -12.8540 -12.8540 -12.7988 -12.7988 -12.4840 -12.4840 -12.3658 -12.3658 -8.6015 -8.6015 -8.3928 -8.3928 -4.3502 -4.3502 -4.2762 -4.2762 -3.9904 -3.9904 -3.8945 -3.8945 -3.6040 -3.6040 -3.5236 -3.5236 -1.7259 -1.7259 -1.7068 -1.7068 -1.5944 -1.5944 -1.4231 -1.4231 -1.3417 -1.3417 -1.2638 -1.2638 -1.1959 -1.1959 -1.1738 -1.1738 -1.1242 -1.1242 -1.1038 -1.1038 -0.4878 -0.4878 -0.4242 -0.4242 -0.3914 -0.3914 -0.0412 -0.0412 0.0424 0.0424 0.1504 0.1504 0.1785 0.1785 0.2583 0.2583 0.5980 0.5980 0.6490 0.6490 0.7542 0.7542 0.8052 0.8052 2.4619 2.4619 2.6492 2.6492 5.8073 5.8073 5.8731 5.8731 6.0492 6.0492 6.3342 6.3342 7.6537 7.6537 7.8953 7.8953 k = 0.2115-0.0000-0.0000 ( 11903 PWs) bands (ev): -15.6694 -15.6694 -15.5932 -15.5932 -13.6678 -13.6678 -13.6393 -13.6393 -13.5864 -13.5864 -13.5563 -13.5563 -12.8536 -12.8536 -12.7991 -12.7991 -12.4791 -12.4791 -12.3662 -12.3662 -8.5939 -8.5939 -8.3935 -8.3935 -4.3374 -4.3374 -4.2615 -4.2615 -3.9977 -3.9977 -3.8957 -3.8957 -3.6021 -3.6021 -3.5238 -3.5238 -1.7412 -1.7412 -1.7034 -1.7034 -1.6079 -1.6079 -1.4224 -1.4224 -1.3431 -1.3431 -1.2742 -1.2742 -1.2089 -1.2089 -1.1909 -1.1909 -1.1284 -1.1284 -1.1011 -1.1011 -0.4693 -0.4693 -0.4043 -0.4043 -0.3689 -0.3689 -0.0535 -0.0535 0.0423 0.0423 0.1431 0.1431 0.1738 0.1738 0.2576 0.2576 0.5964 0.5964 0.6466 0.6466 0.7583 0.7583 0.8110 0.8110 2.4632 2.4632 2.6436 2.6436 5.7967 5.7967 5.8667 5.8667 6.0288 6.0288 6.3238 6.3238 7.6561 7.6561 7.8940 7.8940 k = 0.2308-0.0000-0.0000 ( 11903 PWs) bands (ev): -15.6657 -15.6657 -15.5923 -15.5923 -13.6753 -13.6753 -13.6455 -13.6455 -13.5862 -13.5862 -13.5564 -13.5564 -12.8533 -12.8533 -12.7994 -12.7994 -12.4739 -12.4739 -12.3668 -12.3668 -8.5858 -8.5858 -8.3945 -8.3945 -4.3240 -4.3240 -4.2461 -4.2461 -4.0050 -4.0050 -3.8971 -3.8971 -3.6000 -3.6000 -3.5240 -3.5240 -1.7599 -1.7599 -1.6953 -1.6953 -1.6206 -1.6206 -1.4226 -1.4226 -1.3449 -1.3449 -1.2857 -1.2857 -1.2291 -1.2291 -1.2091 -1.2091 -1.1334 -1.1334 -1.0914 -1.0914 -0.4499 -0.4499 -0.3843 -0.3843 -0.3456 -0.3456 -0.0655 -0.0655 0.0426 0.0426 0.1357 0.1357 0.1688 0.1688 0.2568 0.2568 0.5947 0.5947 0.6442 0.6442 0.7624 0.7624 0.8168 0.8168 2.4632 2.4632 2.6384 2.6384 5.7861 5.7861 5.8601 5.8601 6.0084 6.0084 6.3124 6.3124 7.6588 7.6588 7.8925 7.8925 k = 0.2500-0.0000-0.0000 ( 11891 PWs) bands (ev): -15.6617 -15.6617 -15.5913 -15.5913 -13.6829 -13.6829 -13.6517 -13.6517 -13.5859 -13.5859 -13.5566 -13.5566 -12.8529 -12.8529 -12.7996 -12.7996 -12.4685 -12.4685 -12.3675 -12.3675 -8.5774 -8.5774 -8.3958 -8.3958 -4.3100 -4.3100 -4.2304 -4.2304 -4.0122 -4.0122 -3.8986 -3.8986 -3.5980 -3.5980 -3.5243 -3.5243 -1.7785 -1.7785 -1.6858 -1.6858 -1.6325 -1.6325 -1.4235 -1.4235 -1.3472 -1.3472 -1.2982 -1.2982 -1.2516 -1.2516 -1.2289 -1.2289 -1.1391 -1.1391 -1.0784 -1.0784 -0.4301 -0.4301 -0.3643 -0.3643 -0.3218 -0.3218 -0.0769 -0.0769 0.0434 0.0434 0.1280 0.1280 0.1635 0.1635 0.2558 0.2558 0.5930 0.5930 0.6420 0.6420 0.7665 0.7665 0.8223 0.8223 2.4620 2.4620 2.6339 2.6339 5.7753 5.7753 5.8536 5.8536 5.9882 5.9882 6.3001 6.3001 7.6618 7.6618 7.8909 7.8909 k = 0.2692-0.0000-0.0000 ( 11907 PWs) bands (ev): -15.6577 -15.6577 -15.5905 -15.5905 -13.6904 -13.6904 -13.6579 -13.6579 -13.5857 -13.5857 -13.5567 -13.5567 -12.8526 -12.8526 -12.7999 -12.7999 -12.4630 -12.4630 -12.3685 -12.3685 -8.5686 -8.5686 -8.3975 -8.3975 -4.2956 -4.2956 -4.2145 -4.2145 -4.0191 -4.0191 -3.9003 -3.9003 -3.5958 -3.5958 -3.5245 -3.5245 -1.7964 -1.7964 -1.6756 -1.6756 -1.6436 -1.6436 -1.4252 -1.4252 -1.3507 -1.3507 -1.3117 -1.3117 -1.2741 -1.2741 -1.2496 -1.2496 -1.1449 -1.1449 -1.0645 -1.0645 -0.4100 -0.4100 -0.3447 -0.3447 -0.2979 -0.2979 -0.0876 -0.0876 0.0446 0.0446 0.1202 0.1202 0.1580 0.1580 0.2548 0.2548 0.5913 0.5913 0.6400 0.6400 0.7705 0.7705 0.8276 0.8276 2.4593 2.4593 2.6301 2.6301 5.7645 5.7645 5.8472 5.8472 5.9686 5.9686 6.2873 6.2873 7.6650 7.6650 7.8891 7.8891 k = 0.2885-0.0000-0.0000 ( 11918 PWs) bands (ev): -15.6537 -15.6537 -15.5898 -15.5898 -13.6978 -13.6978 -13.6641 -13.6641 -13.5854 -13.5854 -13.5569 -13.5569 -12.8522 -12.8522 -12.8002 -12.8002 -12.4575 -12.4575 -12.3696 -12.3696 -8.5595 -8.5595 -8.3996 -8.3996 -4.2811 -4.2811 -4.1987 -4.1987 -4.0258 -4.0258 -3.9020 -3.9020 -3.5937 -3.5937 -3.5248 -3.5248 -1.8134 -1.8134 -1.6651 -1.6651 -1.6535 -1.6535 -1.4275 -1.4275 -1.3571 -1.3571 -1.3254 -1.3254 -1.2948 -1.2948 -1.2705 -1.2705 -1.1506 -1.1506 -1.0507 -1.0507 -0.3900 -0.3900 -0.3255 -0.3255 -0.2741 -0.2741 -0.0974 -0.0974 0.0462 0.0462 0.1123 0.1123 0.1524 0.1524 0.2536 0.2536 0.5895 0.5895 0.6381 0.6381 0.7744 0.7744 0.8326 0.8326 2.4554 2.4554 2.6270 2.6270 5.7537 5.7537 5.8413 5.8413 5.9497 5.9497 6.2741 6.2741 7.6684 7.6684 7.8872 7.8872 k = 0.3077-0.0000-0.0000 ( 11914 PWs) bands (ev): -15.6496 -15.6496 -15.5892 -15.5892 -13.7049 -13.7049 -13.6702 -13.6702 -13.5852 -13.5852 -13.5570 -13.5570 -12.8518 -12.8518 -12.8005 -12.8005 -12.4518 -12.4518 -12.3710 -12.3710 -8.5503 -8.5503 -8.4021 -8.4021 -4.2666 -4.2666 -4.1832 -4.1832 -4.0321 -4.0321 -3.9038 -3.9038 -3.5916 -3.5916 -3.5252 -3.5252 -1.8293 -1.8293 -1.6644 -1.6644 -1.6522 -1.6522 -1.4305 -1.4305 -1.3689 -1.3689 -1.3378 -1.3378 -1.3118 -1.3118 -1.2908 -1.2908 -1.1559 -1.1559 -1.0376 -1.0376 -0.3705 -0.3705 -0.3068 -0.3068 -0.2506 -0.2506 -0.1063 -0.1063 0.0482 0.0482 0.1043 0.1043 0.1466 0.1466 0.2524 0.2524 0.5878 0.5878 0.6363 0.6363 0.7781 0.7781 0.8373 0.8373 2.4505 2.4505 2.6247 2.6247 5.7431 5.7431 5.8358 5.8358 5.9317 5.9317 6.2607 6.2607 7.6721 7.6721 7.8853 7.8853 k = 0.3269-0.0000-0.0000 ( 11914 PWs) bands (ev): -15.6456 -15.6456 -15.5887 -15.5887 -13.7117 -13.7117 -13.6759 -13.6759 -13.5849 -13.5849 -13.5572 -13.5572 -12.8515 -12.8515 -12.8008 -12.8008 -12.4461 -12.4461 -12.3727 -12.3727 -8.5409 -8.5409 -8.4050 -8.4050 -4.2525 -4.2525 -4.1682 -4.1682 -4.0379 -4.0379 -3.9056 -3.9056 -3.5895 -3.5895 -3.5255 -3.5255 -1.8440 -1.8440 -1.6726 -1.6726 -1.6405 -1.6405 -1.4343 -1.4343 -1.3865 -1.3865 -1.3492 -1.3492 -1.3238 -1.3238 -1.3100 -1.3100 -1.1608 -1.1608 -1.0254 -1.0254 -0.3518 -0.3518 -0.2888 -0.2888 -0.2279 -0.2279 -0.1142 -0.1142 0.0504 0.0504 0.0963 0.0963 0.1409 0.1409 0.2512 0.2512 0.5861 0.5861 0.6347 0.6347 0.7816 0.7816 0.8417 0.8417 2.4446 2.4446 2.6230 2.6230 5.7327 5.7327 5.8310 5.8310 5.9149 5.9149 6.2476 6.2476 7.6758 7.6758 7.8833 7.8833 k = 0.3462-0.0000-0.0000 ( 11916 PWs) bands (ev): -15.6417 -15.6417 -15.5884 -15.5884 -13.7180 -13.7180 -13.6813 -13.6813 -13.5847 -13.5847 -13.5573 -13.5573 -12.8512 -12.8512 -12.8010 -12.8010 -12.4405 -12.4405 -12.3746 -12.3746 -8.5315 -8.5315 -8.4084 -8.4084 -4.2390 -4.2390 -4.1540 -4.1540 -4.0432 -4.0432 -3.9072 -3.9072 -3.5875 -3.5875 -3.5259 -3.5259 -1.8574 -1.8574 -1.6804 -1.6804 -1.6281 -1.6281 -1.4390 -1.4390 -1.4065 -1.4065 -1.3621 -1.3621 -1.3320 -1.3320 -1.3264 -1.3264 -1.1652 -1.1652 -1.0144 -1.0144 -0.3342 -0.3342 -0.2717 -0.2717 -0.2061 -0.2061 -0.1213 -0.1213 0.0530 0.0530 0.0883 0.0883 0.1351 0.1351 0.2499 0.2499 0.5844 0.5844 0.6331 0.6331 0.7848 0.7848 0.8457 0.8457 2.4383 2.4383 2.6219 2.6219 5.7228 5.7228 5.8268 5.8268 5.8994 5.8994 6.2350 6.2350 7.6795 7.6795 7.8813 7.8813 k = 0.3654-0.0000-0.0000 ( 11906 PWs) bands (ev): -15.6379 -15.6379 -15.5882 -15.5882 -13.7237 -13.7237 -13.6863 -13.6863 -13.5845 -13.5845 -13.5574 -13.5574 -12.8508 -12.8508 -12.8013 -12.8013 -12.4349 -12.4349 -12.3768 -12.3768 -8.5221 -8.5221 -8.4122 -8.4122 -4.2264 -4.2264 -4.1408 -4.1408 -4.0479 -4.0479 -3.9088 -3.9088 -3.5857 -3.5857 -3.5262 -3.5262 -1.8695 -1.8695 -1.6874 -1.6874 -1.6152 -1.6152 -1.4461 -1.4461 -1.4254 -1.4254 -1.3760 -1.3760 -1.3453 -1.3453 -1.3327 -1.3327 -1.1692 -1.1692 -1.0046 -1.0046 -0.3181 -0.3181 -0.2556 -0.2556 -0.1855 -0.1855 -0.1273 -0.1273 0.0556 0.0556 0.0803 0.0803 0.1294 0.1294 0.2487 0.2487 0.5828 0.5828 0.6317 0.6317 0.7878 0.7878 0.8493 0.8493 2.4319 2.4319 2.6211 2.6211 5.7134 5.7134 5.8233 5.8233 5.8852 5.8852 6.2230 6.2230 7.6832 7.6832 7.8794 7.8794 k = 0.3846-0.0000-0.0000 ( 11902 PWs) bands (ev): -15.6344 -15.6344 -15.5882 -15.5882 -13.7289 -13.7289 -13.6908 -13.6908 -13.5843 -13.5843 -13.5576 -13.5576 -12.8506 -12.8506 -12.8015 -12.8015 -12.4294 -12.4294 -12.3793 -12.3793 -8.5128 -8.5128 -8.4165 -8.4165 -4.2149 -4.2149 -4.1288 -4.1288 -4.0521 -4.0521 -3.9101 -3.9101 -3.5840 -3.5840 -3.5266 -3.5266 -1.8800 -1.8800 -1.6935 -1.6935 -1.6021 -1.6021 -1.4580 -1.4580 -1.4392 -1.4392 -1.3898 -1.3898 -1.3592 -1.3592 -1.3349 -1.3349 -1.1727 -1.1727 -0.9961 -0.9961 -0.3037 -0.3037 -0.2406 -0.2406 -0.1665 -0.1665 -0.1325 -0.1325 0.0583 0.0583 0.0726 0.0726 0.1240 0.1240 0.2475 0.2475 0.5814 0.5814 0.6304 0.6304 0.7904 0.7904 0.8524 0.8524 2.4255 2.4255 2.6207 2.6207 5.7049 5.7049 5.8205 5.8205 5.8726 5.8726 6.2121 6.2121 7.6867 7.6867 7.8775 7.8775 k = 0.4038-0.0000-0.0000 ( 11908 PWs) bands (ev): -15.6312 -15.6312 -15.5883 -15.5883 -13.7334 -13.7334 -13.6948 -13.6948 -13.5841 -13.5841 -13.5577 -13.5577 -12.8503 -12.8503 -12.8017 -12.8017 -12.4241 -12.4241 -12.3820 -12.3820 -8.5038 -8.5038 -8.4212 -8.4212 -4.2047 -4.2047 -4.1183 -4.1183 -4.0556 -4.0556 -3.9113 -3.9113 -3.5824 -3.5824 -3.5269 -3.5269 -1.8891 -1.8891 -1.6987 -1.6987 -1.5888 -1.5888 -1.4736 -1.4736 -1.4483 -1.4483 -1.4026 -1.4026 -1.3713 -1.3713 -1.3361 -1.3361 -1.1757 -1.1757 -0.9888 -0.9888 -0.2912 -0.2912 -0.2270 -0.2270 -0.1496 -0.1496 -0.1366 -0.1366 0.0609 0.0609 0.0652 0.0652 0.1188 0.1188 0.2465 0.2465 0.5801 0.5801 0.6293 0.6293 0.7927 0.7927 0.8551 0.8551 2.4196 2.4196 2.6205 2.6205 5.6974 5.6974 5.8184 5.8184 5.8614 5.8614 6.2024 6.2024 7.6899 7.6899 7.8758 7.8758 k = 0.4231-0.0000-0.0000 ( 11894 PWs) bands (ev): -15.6284 -15.6284 -15.5885 -15.5885 -13.7371 -13.7371 -13.6981 -13.6981 -13.5839 -13.5839 -13.5577 -13.5577 -12.8501 -12.8501 -12.8018 -12.8018 -12.4189 -12.4189 -12.3851 -12.3851 -8.4952 -8.4952 -8.4263 -8.4263 -4.1961 -4.1961 -4.1093 -4.1093 -4.0584 -4.0584 -3.9123 -3.9123 -3.5811 -3.5811 -3.5272 -3.5272 -1.8965 -1.8965 -1.7030 -1.7030 -1.5756 -1.5756 -1.4887 -1.4887 -1.4564 -1.4564 -1.4137 -1.4137 -1.3811 -1.3811 -1.3368 -1.3368 -1.1781 -1.1781 -0.9829 -0.9829 -0.2808 -0.2808 -0.2151 -0.2151 -0.1415 -0.1415 -0.1332 -0.1332 0.0584 0.0584 0.0633 0.0633 0.1141 0.1141 0.2456 0.2456 0.5790 0.5790 0.6283 0.6283 0.7945 0.7945 0.8574 0.8574 2.4144 2.4144 2.6204 2.6204 5.6909 5.6909 5.8171 5.8171 5.8519 5.8519 6.1941 6.1941 7.6927 7.6927 7.8743 7.8743 k = 0.4423-0.0000-0.0000 ( 11920 PWs) bands (ev): -15.6261 -15.6261 -15.5887 -15.5887 -13.7401 -13.7401 -13.7007 -13.7007 -13.5838 -13.5838 -13.5578 -13.5578 -12.8499 -12.8499 -12.8020 -12.8020 -12.4138 -12.4138 -12.3884 -12.3884 -8.4871 -8.4871 -8.4315 -8.4315 -4.1893 -4.1893 -4.1022 -4.1022 -4.0606 -4.0606 -3.9131 -3.9131 -3.5801 -3.5801 -3.5275 -3.5275 -1.9024 -1.9024 -1.7064 -1.7064 -1.5628 -1.5628 -1.5015 -1.5015 -1.4648 -1.4648 -1.4228 -1.4228 -1.3886 -1.3886 -1.3373 -1.3373 -1.1800 -1.1800 -0.9784 -0.9784 -0.2727 -0.2727 -0.2053 -0.2053 -0.1438 -0.1438 -0.1214 -0.1214 0.0525 0.0525 0.0654 0.0654 0.1101 0.1101 0.2448 0.2448 0.5780 0.5780 0.6276 0.6276 0.7960 0.7960 0.8591 0.8591 2.4101 2.4101 2.6203 2.6203 5.6858 5.6858 5.8165 5.8165 5.8440 5.8440 6.1875 6.1875 7.6950 7.6950 7.8731 7.8731 k = 0.4615-0.0000-0.0000 ( 11912 PWs) bands (ev): -15.6244 -15.6244 -15.5890 -15.5890 -13.7423 -13.7423 -13.7026 -13.7026 -13.5837 -13.5837 -13.5579 -13.5579 -12.8498 -12.8498 -12.8021 -12.8021 -12.4090 -12.4090 -12.3920 -12.3920 -8.4800 -8.4800 -8.4366 -8.4366 -4.1843 -4.1843 -4.0969 -4.0969 -4.0622 -4.0622 -3.9136 -3.9136 -3.5793 -3.5793 -3.5277 -3.5277 -1.9066 -1.9066 -1.7088 -1.7088 -1.5509 -1.5509 -1.5115 -1.5115 -1.4731 -1.4731 -1.4294 -1.4294 -1.3938 -1.3938 -1.3376 -1.3376 -1.1814 -1.1814 -0.9751 -0.9751 -0.2669 -0.2669 -0.1979 -0.1979 -0.1458 -0.1458 -0.1121 -0.1121 0.0478 0.0478 0.0670 0.0670 0.1070 0.1070 0.2442 0.2442 0.5774 0.5774 0.6270 0.6270 0.7971 0.7971 0.8604 0.8604 2.4069 2.4069 2.6204 2.6204 5.6820 5.6820 5.8166 5.8166 5.8379 5.8379 6.1827 6.1827 7.6968 7.6968 7.8721 7.8721 k = 0.4808-0.0000-0.0000 ( 11910 PWs) bands (ev): -15.6233 -15.6233 -15.5892 -15.5892 -13.7436 -13.7436 -13.7038 -13.7038 -13.5837 -13.5837 -13.5579 -13.5579 -12.8498 -12.8498 -12.8021 -12.8021 -12.4044 -12.4044 -12.3958 -12.3958 -8.4746 -8.4746 -8.4407 -8.4407 -4.1813 -4.1813 -4.0937 -4.0937 -4.0632 -4.0632 -3.9140 -3.9140 -3.5788 -3.5788 -3.5278 -3.5278 -1.9091 -1.9091 -1.7103 -1.7103 -1.5410 -1.5410 -1.5188 -1.5188 -1.4798 -1.4798 -1.4334 -1.4334 -1.3969 -1.3969 -1.3377 -1.3377 -1.1822 -1.1822 -0.9731 -0.9731 -0.2633 -0.2633 -0.1932 -0.1932 -0.1470 -0.1470 -0.1062 -0.1062 0.0447 0.0447 0.0681 0.0681 0.1050 0.1050 0.2439 0.2439 0.5770 0.5770 0.6266 0.6266 0.7977 0.7977 0.8612 0.8612 2.4049 2.4049 2.6204 2.6204 5.6797 5.6797 5.8170 5.8170 5.8339 5.8339 6.1797 6.1797 7.6978 7.6978 7.8716 7.8716 k = 0.5000-0.0000-0.0000 ( 11922 PWs) bands (ev): -15.6229 -15.6229 -15.5892 -15.5892 -13.7440 -13.7440 -13.7041 -13.7041 -13.5836 -13.5836 -13.5579 -13.5579 -12.8497 -12.8497 -12.8022 -12.8022 -12.4002 -12.4002 -12.3997 -12.3997 -8.4725 -8.4725 -8.4424 -8.4424 -4.1803 -4.1803 -4.0926 -4.0926 -4.0636 -4.0636 -3.9141 -3.9141 -3.5787 -3.5787 -3.5279 -3.5279 -1.9100 -1.9100 -1.7108 -1.7108 -1.5363 -1.5363 -1.5221 -1.5221 -1.4825 -1.4825 -1.4347 -1.4347 -1.3979 -1.3979 -1.3378 -1.3378 -1.1825 -1.1825 -0.9725 -0.9725 -0.2622 -0.2622 -0.1916 -0.1916 -0.1474 -0.1474 -0.1043 -0.1043 0.0437 0.0437 0.0685 0.0685 0.1043 0.1043 0.2438 0.2438 0.5768 0.5768 0.6265 0.6265 0.7979 0.7979 0.8614 0.8614 2.4043 2.4043 2.6204 2.6204 5.6789 5.6789 5.8172 5.8172 5.8324 5.8324 6.1788 6.1788 7.6982 7.6982 7.8714 7.8714 k = 0.5000-0.0000-0.0000 ( 11922 PWs) bands (ev): -15.6229 -15.6229 -15.5892 -15.5892 -13.7440 -13.7440 -13.7041 -13.7041 -13.5836 -13.5836 -13.5579 -13.5579 -12.8497 -12.8497 -12.8022 -12.8022 -12.4002 -12.4002 -12.3997 -12.3997 -8.4725 -8.4725 -8.4424 -8.4424 -4.1803 -4.1803 -4.0926 -4.0926 -4.0636 -4.0636 -3.9141 -3.9141 -3.5787 -3.5787 -3.5279 -3.5279 -1.9100 -1.9100 -1.7108 -1.7108 -1.5363 -1.5363 -1.5221 -1.5221 -1.4825 -1.4825 -1.4347 -1.4347 -1.3979 -1.3979 -1.3378 -1.3378 -1.1825 -1.1825 -0.9725 -0.9725 -0.2622 -0.2622 -0.1916 -0.1916 -0.1474 -0.1474 -0.1043 -0.1043 0.0437 0.0437 0.0685 0.0685 0.1043 0.1043 0.2438 0.2438 0.5768 0.5768 0.6265 0.6265 0.7979 0.7979 0.8614 0.8614 2.4043 2.4043 2.6204 2.6204 5.6789 5.6789 5.8172 5.8172 5.8324 5.8324 6.1788 6.1788 7.6982 7.6982 7.8714 7.8714 k = 0.5000 0.0192-0.0000 ( 11912 PWs) bands (ev): -15.6228 -15.6228 -15.5892 -15.5892 -13.7440 -13.7440 -13.7041 -13.7041 -13.5840 -13.5840 -13.5582 -13.5582 -12.8497 -12.8497 -12.8022 -12.8022 -12.4001 -12.4001 -12.3996 -12.3996 -8.4720 -8.4720 -8.4419 -8.4419 -4.1809 -4.1809 -4.0958 -4.0958 -4.0605 -4.0605 -3.9145 -3.9145 -3.5786 -3.5786 -3.5279 -3.5279 -1.9108 -1.9108 -1.7105 -1.7105 -1.5436 -1.5436 -1.5204 -1.5204 -1.4798 -1.4798 -1.4319 -1.4319 -1.3960 -1.3960 -1.3396 -1.3396 -1.1828 -1.1828 -0.9712 -0.9712 -0.2632 -0.2632 -0.1947 -0.1947 -0.1450 -0.1450 -0.1037 -0.1037 0.0407 0.0407 0.0701 0.0701 0.1047 0.1047 0.2432 0.2432 0.5768 0.5768 0.6265 0.6265 0.7978 0.7978 0.8612 0.8612 2.4062 2.4062 2.6220 2.6220 5.6797 5.6797 5.8142 5.8142 5.8376 5.8376 6.1783 6.1783 7.6988 7.6988 7.8716 7.8716 k = 0.5000 0.0384-0.0000 ( 11904 PWs) bands (ev): -15.6225 -15.6225 -15.5891 -15.5891 -13.7439 -13.7439 -13.7038 -13.7038 -13.5852 -13.5852 -13.5592 -13.5592 -12.8495 -12.8495 -12.8024 -12.8024 -12.3997 -12.3997 -12.3993 -12.3993 -8.4704 -8.4704 -8.4405 -8.4405 -4.1826 -4.1826 -4.1033 -4.1033 -4.0537 -4.0537 -3.9159 -3.9159 -3.5784 -3.5784 -3.5280 -3.5280 -1.9131 -1.9131 -1.7098 -1.7098 -1.5592 -1.5592 -1.5185 -1.5185 -1.4736 -1.4736 -1.4245 -1.4245 -1.3903 -1.3903 -1.3449 -1.3449 -1.1838 -1.1838 -0.9674 -0.9674 -0.2661 -0.2661 -0.2026 -0.2026 -0.1390 -0.1390 -0.1019 -0.1019 0.0336 0.0336 0.0733 0.0733 0.1060 0.1060 0.2413 0.2413 0.5769 0.5769 0.6264 0.6264 0.7973 0.7973 0.8604 0.8604 2.4120 2.4120 2.6267 2.6267 5.6819 5.6819 5.8096 5.8096 5.8488 5.8488 6.1771 6.1771 7.7005 7.7005 7.8722 7.8722 k = 0.5000 0.0576-0.0000 ( 11904 PWs) bands (ev): -15.6219 -15.6219 -15.5889 -15.5889 -13.7437 -13.7437 -13.7035 -13.7035 -13.5871 -13.5871 -13.5607 -13.5607 -12.8492 -12.8492 -12.8026 -12.8026 -12.3991 -12.3991 -12.3987 -12.3987 -8.4679 -8.4679 -8.4381 -8.4381 -4.1855 -4.1855 -4.1122 -4.1122 -4.0458 -4.0458 -3.9180 -3.9180 -3.5779 -3.5779 -3.5281 -3.5281 -1.9168 -1.9168 -1.7086 -1.7086 -1.5786 -1.5786 -1.5172 -1.5172 -1.4658 -1.4658 -1.4148 -1.4148 -1.3813 -1.3813 -1.3528 -1.3528 -1.1854 -1.1854 -0.9616 -0.9616 -0.2710 -0.2710 -0.2130 -0.2130 -0.1318 -0.1318 -0.0990 -0.0990 0.0245 0.0245 0.0758 0.0758 0.1084 0.1084 0.2383 0.2383 0.5769 0.5769 0.6262 0.6262 0.7965 0.7965 0.8591 0.8591 2.4216 2.4216 2.6344 2.6344 5.6852 5.6852 5.8058 5.8058 5.8636 5.8636 6.1752 6.1752 7.7032 7.7032 7.8733 7.8733 k = 0.5000 0.0767-0.0000 ( 11892 PWs) bands (ev): -15.6211 -15.6211 -15.5886 -15.5886 -13.7434 -13.7434 -13.7030 -13.7030 -13.5897 -13.5897 -13.5629 -13.5629 -12.8488 -12.8488 -12.8030 -12.8030 -12.3982 -12.3982 -12.3979 -12.3979 -8.4643 -8.4643 -8.4349 -8.4349 -4.1896 -4.1896 -4.1217 -4.1217 -4.0378 -4.0378 -3.9208 -3.9208 -3.5773 -3.5773 -3.5283 -3.5283 -1.9217 -1.9217 -1.7070 -1.7070 -1.5996 -1.5996 -1.5162 -1.5162 -1.4568 -1.4568 -1.4045 -1.4045 -1.3738 -1.3738 -1.3580 -1.3580 -1.1876 -1.1876 -0.9544 -0.9544 -0.2776 -0.2776 -0.2248 -0.2248 -0.1243 -0.1243 -0.0950 -0.0950 0.0142 0.0142 0.0770 0.0770 0.1117 0.1117 0.2343 0.2343 0.5768 0.5768 0.6259 0.6259 0.7955 0.7955 0.8574 0.8574 2.4348 2.4348 2.6450 2.6450 5.6889 5.6889 5.8034 5.8034 5.8816 5.8816 6.1733 6.1733 7.7071 7.7071 7.8747 7.8747 k = 0.5000 0.0959-0.0000 ( 11900 PWs) bands (ev): -15.6202 -15.6202 -15.5883 -15.5883 -13.7431 -13.7431 -13.7023 -13.7023 -13.5930 -13.5930 -13.5656 -13.5656 -12.8484 -12.8484 -12.8035 -12.8035 -12.3972 -12.3972 -12.3969 -12.3969 -8.4599 -8.4599 -8.4309 -8.4309 -4.1949 -4.1949 -4.1313 -4.1313 -4.0302 -4.0302 -3.9240 -3.9240 -3.5766 -3.5766 -3.5286 -3.5286 -1.9276 -1.9276 -1.7053 -1.7053 -1.6214 -1.6214 -1.5154 -1.5154 -1.4465 -1.4465 -1.3949 -1.3949 -1.3800 -1.3800 -1.3479 -1.3479 -1.1903 -1.1903 -0.9463 -0.9463 -0.2857 -0.2857 -0.2373 -0.2373 -0.1172 -0.1172 -0.0901 -0.0901 0.0033 0.0033 0.0769 0.0769 0.1157 0.1157 0.2291 0.2291 0.5767 0.5767 0.6255 0.6255 0.7942 0.7942 0.8552 0.8552 2.4513 2.4513 2.6581 2.6581 5.6923 5.6923 5.8023 5.8023 5.9028 5.9028 6.1717 6.1717 7.7120 7.7120 7.8765 7.8765 k = 0.5000 0.1151-0.0000 ( 11892 PWs) bands (ev): -15.6190 -15.6190 -15.5879 -15.5879 -13.7427 -13.7427 -13.7015 -13.7015 -13.5968 -13.5968 -13.5688 -13.5688 -12.8478 -12.8478 -12.8041 -12.8041 -12.3959 -12.3959 -12.3957 -12.3957 -8.4546 -8.4546 -8.4261 -8.4261 -4.2014 -4.2014 -4.1411 -4.1411 -4.0231 -4.0231 -3.9274 -3.9274 -3.5757 -3.5757 -3.5290 -3.5290 -1.9341 -1.9341 -1.7038 -1.7038 -1.6430 -1.6430 -1.5150 -1.5150 -1.4352 -1.4352 -1.3977 -1.3977 -1.3785 -1.3785 -1.3324 -1.3324 -1.1934 -1.1934 -0.9380 -0.9380 -0.2950 -0.2950 -0.2502 -0.2502 -0.1107 -0.1107 -0.0844 -0.0844 -0.0079 -0.0079 0.0757 0.0757 0.1199 0.1199 0.2231 0.2231 0.5765 0.5765 0.6251 0.6251 0.7926 0.7926 0.8525 0.8525 2.4709 2.4709 2.6734 2.6734 5.6947 5.6947 5.8022 5.8022 5.9271 5.9271 6.1712 6.1712 7.7179 7.7179 7.8785 7.8785 k = 0.5000 0.1343-0.0000 ( 11896 PWs) bands (ev): -15.6176 -15.6176 -15.5875 -15.5875 -13.7422 -13.7422 -13.7006 -13.7006 -13.6013 -13.6013 -13.5725 -13.5725 -12.8471 -12.8471 -12.8048 -12.8048 -12.3945 -12.3945 -12.3943 -12.3943 -8.4486 -8.4486 -8.4207 -8.4207 -4.2088 -4.2088 -4.1509 -4.1509 -4.0167 -4.0167 -3.9307 -3.9307 -3.5746 -3.5746 -3.5294 -3.5294 -1.9409 -1.9409 -1.7040 -1.7040 -1.6628 -1.6628 -1.5149 -1.5149 -1.4242 -1.4242 -1.4095 -1.4095 -1.3671 -1.3671 -1.3161 -1.3161 -1.1966 -1.1966 -0.9300 -0.9300 -0.3054 -0.3054 -0.2633 -0.2633 -0.1051 -0.1051 -0.0779 -0.0779 -0.0190 -0.0190 0.0739 0.0739 0.1239 0.1239 0.2164 0.2164 0.5762 0.5762 0.6246 0.6246 0.7909 0.7909 0.8495 0.8495 2.4933 2.4933 2.6907 2.6907 5.6955 5.6955 5.8028 5.8028 5.9544 5.9544 6.1726 6.1726 7.7247 7.7247 7.8808 7.8808 k = 0.5000 0.1535-0.0000 ( 11900 PWs) bands (ev): -15.6161 -15.6161 -15.5871 -15.5871 -13.7416 -13.7416 -13.6996 -13.6996 -13.6062 -13.6062 -13.5765 -13.5765 -12.8463 -12.8463 -12.8056 -12.8056 -12.3929 -12.3929 -12.3929 -12.3929 -8.4419 -8.4419 -8.4147 -8.4147 -4.2171 -4.2171 -4.1609 -4.1609 -4.0110 -4.0110 -3.9338 -3.9338 -3.5734 -3.5734 -3.5298 -3.5298 -1.9478 -1.9478 -1.7099 -1.7099 -1.6764 -1.6764 -1.5150 -1.5150 -1.4276 -1.4276 -1.4072 -1.4072 -1.3544 -1.3544 -1.2999 -1.2999 -1.1995 -1.1995 -0.9229 -0.9229 -0.3164 -0.3164 -0.2764 -0.2764 -0.1004 -0.1004 -0.0709 -0.0709 -0.0297 -0.0297 0.0716 0.0716 0.1277 0.1277 0.2090 0.2090 0.5758 0.5758 0.6239 0.6239 0.7891 0.7891 0.8460 0.8460 2.5181 2.5181 2.7093 2.7093 5.6946 5.6946 5.8032 5.8032 5.9844 5.9844 6.1769 6.1769 7.7323 7.7323 7.8832 7.8832 k = 0.5000 0.1727-0.0000 ( 11900 PWs) bands (ev): -15.6144 -15.6144 -15.5866 -15.5866 -13.7408 -13.7408 -13.6984 -13.6984 -13.6116 -13.6116 -13.5810 -13.5810 -12.8454 -12.8454 -12.8065 -12.8065 -12.3913 -12.3913 -12.3913 -12.3913 -8.4346 -8.4346 -8.4083 -8.4083 -4.2260 -4.2260 -4.1712 -4.1712 -4.0061 -4.0061 -3.9364 -3.9364 -3.5721 -3.5721 -3.5304 -3.5304 -1.9546 -1.9546 -1.7251 -1.7251 -1.6803 -1.6803 -1.5154 -1.5154 -1.4405 -1.4405 -1.3950 -1.3950 -1.3413 -1.3413 -1.2845 -1.2845 -1.2015 -1.2015 -0.9169 -0.9169 -0.3278 -0.3278 -0.2894 -0.2894 -0.0971 -0.0971 -0.0635 -0.0635 -0.0394 -0.0394 0.0690 0.0690 0.1310 0.1310 0.2013 0.2013 0.5753 0.5753 0.6232 0.6232 0.7873 0.7873 0.8422 0.8422 2.5448 2.5448 2.7290 2.7290 5.6920 5.6920 5.8024 5.8024 6.0168 6.0168 6.1846 6.1846 7.7407 7.7407 7.8856 7.8856 k = 0.5000 0.1918-0.0000 ( 11908 PWs) bands (ev): -15.6127 -15.6127 -15.5862 -15.5862 -13.7399 -13.7399 -13.6972 -13.6972 -13.6172 -13.6172 -13.5857 -13.5857 -12.8444 -12.8444 -12.8075 -12.8075 -12.3897 -12.3897 -12.3896 -12.3896 -8.4269 -8.4269 -8.4016 -8.4016 -4.2352 -4.2352 -4.1818 -4.1818 -4.0019 -4.0019 -3.9386 -3.9386 -3.5707 -3.5707 -3.5310 -3.5310 -1.9610 -1.9610 -1.7448 -1.7448 -1.6791 -1.6791 -1.5161 -1.5161 -1.4530 -1.4530 -1.3828 -1.3828 -1.3284 -1.3284 -1.2702 -1.2702 -1.2018 -1.2018 -0.9123 -0.9123 -0.3392 -0.3392 -0.3021 -0.3021 -0.0955 -0.0955 -0.0572 -0.0572 -0.0464 -0.0464 0.0663 0.0663 0.1338 0.1338 0.1934 0.1934 0.5747 0.5747 0.6223 0.6223 0.7854 0.7854 0.8382 0.8382 2.5731 2.5731 2.7493 2.7493 5.6881 5.6881 5.7996 5.7996 6.0512 6.0512 6.1962 6.1962 7.7498 7.7498 7.8881 7.8881 k = 0.5000 0.2110-0.0000 ( 11900 PWs) bands (ev): -15.6108 -15.6108 -15.5858 -15.5858 -13.7389 -13.7389 -13.6958 -13.6958 -13.6230 -13.6230 -13.5907 -13.5907 -12.8433 -12.8433 -12.8085 -12.8085 -12.3880 -12.3880 -12.3878 -12.3878 -8.4189 -8.4189 -8.3948 -8.3948 -4.2445 -4.2445 -4.1929 -4.1929 -3.9983 -3.9983 -3.9402 -3.9402 -3.5691 -3.5691 -3.5317 -3.5317 -1.9669 -1.9669 -1.7656 -1.7656 -1.6762 -1.6762 -1.5170 -1.5170 -1.4643 -1.4643 -1.3723 -1.3723 -1.3159 -1.3159 -1.2573 -1.2573 -1.1991 -1.1991 -0.9093 -0.9093 -0.3504 -0.3504 -0.3144 -0.3144 -0.0958 -0.0958 -0.0584 -0.0584 -0.0440 -0.0440 0.0635 0.0635 0.1360 0.1360 0.1856 0.1856 0.5740 0.5740 0.6212 0.6212 0.7836 0.7836 0.8339 0.8339 2.6025 2.6025 2.7697 2.7697 5.6831 5.6831 5.7943 5.7943 6.0872 6.0872 6.2116 6.2116 7.7595 7.7595 7.8904 7.8904 k = 0.5000 0.2302-0.0000 ( 11896 PWs) bands (ev): -15.6088 -15.6088 -15.5854 -15.5854 -13.7377 -13.7377 -13.6945 -13.6945 -13.6290 -13.6290 -13.5958 -13.5958 -12.8422 -12.8422 -12.8097 -12.8097 -12.3864 -12.3864 -12.3861 -12.3861 -8.4108 -8.4108 -8.3879 -8.3879 -4.2537 -4.2537 -4.2042 -4.2042 -3.9951 -3.9951 -3.9415 -3.9415 -3.5674 -3.5674 -3.5325 -3.5325 -1.9721 -1.9721 -1.7863 -1.7863 -1.6725 -1.6725 -1.5183 -1.5183 -1.4740 -1.4740 -1.3648 -1.3648 -1.3039 -1.3039 -1.2460 -1.2460 -1.1928 -1.1928 -0.9082 -0.9082 -0.3611 -0.3611 -0.3262 -0.3262 -0.0983 -0.0983 -0.0628 -0.0628 -0.0363 -0.0363 0.0606 0.0606 0.1377 0.1377 0.1781 0.1781 0.5734 0.5734 0.6198 0.6198 0.7819 0.7819 0.8295 0.8295 2.6326 2.6326 2.7898 2.7898 5.6775 5.6775 5.7864 5.7864 6.1240 6.1240 6.2306 6.2306 7.7696 7.7696 7.8925 7.8925 k = 0.5000 0.2494-0.0000 ( 11888 PWs) bands (ev): -15.6068 -15.6068 -15.5851 -15.5851 -13.7362 -13.7362 -13.6931 -13.6931 -13.6349 -13.6349 -13.6011 -13.6011 -12.8409 -12.8409 -12.8109 -12.8109 -12.3847 -12.3847 -12.3844 -12.3844 -8.4026 -8.4026 -8.3812 -8.3812 -4.2626 -4.2626 -4.2158 -4.2158 -3.9922 -3.9922 -3.9425 -3.9425 -3.5657 -3.5657 -3.5334 -3.5334 -1.9764 -1.9764 -1.8066 -1.8066 -1.6685 -1.6685 -1.5201 -1.5201 -1.4817 -1.4817 -1.3611 -1.3611 -1.2920 -1.2920 -1.2359 -1.2359 -1.1827 -1.1827 -0.9088 -0.9088 -0.3712 -0.3712 -0.3375 -0.3375 -0.1024 -0.1024 -0.0665 -0.0665 -0.0279 -0.0279 0.0578 0.0578 0.1386 0.1386 0.1712 0.1712 0.5728 0.5728 0.6182 0.6182 0.7804 0.7804 0.8249 0.8249 2.6628 2.6628 2.8091 2.8091 5.6716 5.6716 5.7762 5.7762 6.1613 6.1613 6.2522 6.2522 7.7801 7.7801 7.8943 7.8943 k = 0.5000 0.2686-0.0000 ( 11894 PWs) bands (ev): -15.6048 -15.6048 -15.5849 -15.5849 -13.7346 -13.7346 -13.6919 -13.6919 -13.6405 -13.6405 -13.6064 -13.6064 -12.8396 -12.8396 -12.8122 -12.8122 -12.3831 -12.3831 -12.3828 -12.3828 -8.3945 -8.3945 -8.3746 -8.3746 -4.2710 -4.2710 -4.2274 -4.2274 -3.9894 -3.9894 -3.9434 -3.9434 -3.5639 -3.5639 -3.5344 -3.5344 -1.9798 -1.9798 -1.8262 -1.8262 -1.6640 -1.6640 -1.5228 -1.5228 -1.4871 -1.4871 -1.3618 -1.3618 -1.2799 -1.2799 -1.2267 -1.2267 -1.1695 -1.1695 -0.9114 -0.9114 -0.3803 -0.3803 -0.3481 -0.3481 -0.1071 -0.1071 -0.0696 -0.0696 -0.0195 -0.0195 0.0551 0.0551 0.1390 0.1390 0.1651 0.1651 0.5724 0.5724 0.6162 0.6162 0.7792 0.7792 0.8202 0.8202 2.6927 2.6927 2.8273 2.8273 5.6657 5.6657 5.7640 5.7640 6.1982 6.1982 6.2756 6.2756 7.7908 7.7908 7.8956 7.8956 k = 0.5000 0.2878-0.0000 ( 11900 PWs) bands (ev): -15.6027 -15.6027 -15.5848 -15.5848 -13.7328 -13.7328 -13.6909 -13.6909 -13.6458 -13.6458 -13.6117 -13.6117 -12.8383 -12.8383 -12.8136 -12.8136 -12.3816 -12.3816 -12.3813 -12.3813 -8.3866 -8.3866 -8.3685 -8.3685 -4.2788 -4.2788 -4.2388 -4.2388 -3.9866 -3.9866 -3.9444 -3.9444 -3.5620 -3.5620 -3.5354 -3.5354 -1.9821 -1.9821 -1.8449 -1.8449 -1.6592 -1.6592 -1.5270 -1.5270 -1.4898 -1.4898 -1.3661 -1.3661 -1.2678 -1.2678 -1.2185 -1.2185 -1.1540 -1.1540 -0.9158 -0.9158 -0.3883 -0.3883 -0.3581 -0.3581 -0.1117 -0.1117 -0.0728 -0.0728 -0.0114 -0.0114 0.0525 0.0525 0.1388 0.1388 0.1600 0.1600 0.5723 0.5723 0.6139 0.6139 0.7783 0.7783 0.8156 0.8156 2.7219 2.7219 2.8438 2.8438 5.6601 5.6601 5.7506 5.7506 6.2340 6.2340 6.2996 6.2996 7.8015 7.8015 7.8964 7.8964 k = 0.5000 0.3070-0.0000 ( 11896 PWs) bands (ev): -15.6007 -15.6007 -15.5849 -15.5849 -13.7307 -13.7307 -13.6904 -13.6904 -13.6503 -13.6503 -13.6170 -13.6170 -12.8369 -12.8369 -12.8150 -12.8150 -12.3802 -12.3802 -12.3799 -12.3799 -8.3791 -8.3791 -8.3629 -8.3629 -4.2857 -4.2857 -4.2498 -4.2498 -3.9838 -3.9838 -3.9456 -3.9456 -3.5601 -3.5601 -3.5366 -3.5366 -1.9832 -1.9832 -1.8627 -1.8627 -1.6539 -1.6539 -1.5327 -1.5327 -1.4897 -1.4897 -1.3732 -1.3732 -1.2558 -1.2558 -1.2112 -1.2112 -1.1370 -1.1370 -0.9221 -0.9221 -0.3952 -0.3952 -0.3673 -0.3673 -0.1157 -0.1157 -0.0765 -0.0765 -0.0037 -0.0037 0.0500 0.0500 0.1383 0.1383 0.1559 0.1559 0.5725 0.5725 0.6112 0.6112 0.7777 0.7777 0.8111 0.8111 2.7498 2.7498 2.8584 2.8584 5.6552 5.6552 5.7365 5.7365 6.2682 6.2682 6.3234 6.3234 7.8122 7.8122 7.8966 7.8966 k = 0.5000 0.3261-0.0000 ( 11904 PWs) bands (ev): -15.5988 -15.5988 -15.5850 -15.5850 -13.7283 -13.7283 -13.6906 -13.6906 -13.6538 -13.6538 -13.6221 -13.6221 -12.8354 -12.8354 -12.8164 -12.8164 -12.3790 -12.3790 -12.3786 -12.3786 -8.3722 -8.3722 -8.3580 -8.3580 -4.2916 -4.2916 -4.2602 -4.2602 -3.9808 -3.9808 -3.9470 -3.9470 -3.5582 -3.5582 -3.5378 -3.5378 -1.9831 -1.9831 -1.8795 -1.8795 -1.6480 -1.6480 -1.5399 -1.5399 -1.4873 -1.4873 -1.3822 -1.3822 -1.2443 -1.2443 -1.2051 -1.2051 -1.1189 -1.1189 -0.9301 -0.9301 -0.4008 -0.4008 -0.3758 -0.3758 -0.1186 -0.1186 -0.0807 -0.0807 0.0034 0.0034 0.0476 0.0476 0.1375 0.1375 0.1525 0.1525 0.5731 0.5731 0.6082 0.6082 0.7775 0.7775 0.8066 0.8066 2.7762 2.7762 2.8707 2.8707 5.6511 5.6511 5.7223 5.7223 6.3000 6.3000 6.3457 6.3457 7.8227 7.8227 7.8961 7.8961 k = 0.5000 0.3453-0.0000 ( 11906 PWs) bands (ev): -15.5969 -15.5969 -15.5853 -15.5853 -13.7257 -13.7257 -13.6917 -13.6917 -13.6560 -13.6560 -13.6271 -13.6271 -12.8339 -12.8339 -12.8179 -12.8179 -12.3778 -12.3778 -12.3775 -12.3775 -8.3658 -8.3658 -8.3538 -8.3538 -4.2964 -4.2964 -4.2699 -4.2699 -3.9777 -3.9777 -3.9487 -3.9487 -3.5562 -3.5562 -3.5391 -3.5391 -1.9818 -1.9818 -1.8952 -1.8952 -1.6413 -1.6413 -1.5480 -1.5480 -1.4830 -1.4830 -1.3923 -1.3923 -1.2337 -1.2337 -1.2003 -1.2003 -1.1003 -1.1003 -0.9398 -0.9398 -0.4051 -0.4051 -0.3834 -0.3834 -0.1204 -0.1204 -0.0855 -0.0855 0.0100 0.0100 0.0453 0.0453 0.1369 0.1369 0.1498 0.1498 0.5742 0.5742 0.6049 0.6049 0.7778 0.7778 0.8023 0.8023 2.8006 2.8006 2.8803 2.8803 5.6482 5.6482 5.7085 5.7085 6.3287 6.3287 6.3658 6.3658 7.8329 7.8329 7.8948 7.8948 k = 0.5000 0.3645-0.0000 ( 11908 PWs) bands (ev): -15.5951 -15.5951 -15.5857 -15.5857 -13.7228 -13.7228 -13.6940 -13.6940 -13.6566 -13.6566 -13.6319 -13.6319 -12.8323 -12.8323 -12.8195 -12.8195 -12.3769 -12.3769 -12.3766 -12.3766 -8.3603 -8.3603 -8.3505 -8.3505 -4.3000 -4.3000 -4.2785 -4.2785 -3.9745 -3.9745 -3.9507 -3.9507 -3.5543 -3.5543 -3.5405 -3.5405 -1.9792 -1.9792 -1.9097 -1.9097 -1.6339 -1.6339 -1.5571 -1.5571 -1.4773 -1.4773 -1.4029 -1.4029 -1.2240 -1.2240 -1.1970 -1.1970 -1.0815 -1.0815 -0.9511 -0.9511 -0.4082 -0.4082 -0.3902 -0.3902 -0.1209 -0.1209 -0.0907 -0.0907 0.0158 0.0158 0.0431 0.0431 0.1366 0.1366 0.1474 0.1474 0.5758 0.5758 0.6014 0.6014 0.7784 0.7784 0.7983 0.7983 2.8226 2.8226 2.8870 2.8870 5.6466 5.6466 5.6954 5.6954 6.3537 6.3537 6.3828 6.3828 7.8426 7.8426 7.8926 7.8926 k = 0.5000 0.3837-0.0000 ( 11926 PWs) bands (ev): -15.5934 -15.5934 -15.5864 -15.5864 -13.7196 -13.7196 -13.6971 -13.6971 -13.6560 -13.6560 -13.6365 -13.6365 -12.8308 -12.8308 -12.8211 -12.8211 -12.3761 -12.3761 -12.3759 -12.3759 -8.3555 -8.3555 -8.3481 -8.3481 -4.3023 -4.3023 -4.2860 -4.2860 -3.9713 -3.9713 -3.9530 -3.9530 -3.5524 -3.5524 -3.5420 -3.5420 -1.9752 -1.9752 -1.9230 -1.9230 -1.6257 -1.6257 -1.5667 -1.5667 -1.4705 -1.4705 -1.4137 -1.4137 -1.2156 -1.2156 -1.1951 -1.1951 -1.0627 -1.0627 -0.9638 -0.9638 -0.4100 -0.4100 -0.3961 -0.3961 -0.1202 -0.1202 -0.0961 -0.0961 0.0210 0.0210 0.0408 0.0408 0.1368 0.1368 0.1453 0.1453 0.5778 0.5778 0.5977 0.5977 0.7795 0.7795 0.7945 0.7945 2.8419 2.8419 2.8906 2.8906 5.6465 5.6465 5.6834 5.6834 6.3745 6.3745 6.3960 6.3960 7.8517 7.8517 7.8895 7.8895 k = 0.5000 0.4029-0.0000 ( 11926 PWs) bands (ev): -15.5919 -15.5919 -15.5871 -15.5871 -13.7161 -13.7161 -13.7007 -13.7007 -13.6542 -13.6542 -13.6409 -13.6409 -12.8291 -12.8291 -12.8227 -12.8227 -12.3756 -12.3756 -12.3754 -12.3754 -8.3517 -8.3517 -8.3467 -8.3467 -4.3032 -4.3032 -4.2923 -4.2923 -3.9680 -3.9680 -3.9556 -3.9556 -3.5505 -3.5505 -3.5436 -3.5436 -1.9699 -1.9699 -1.9350 -1.9350 -1.6168 -1.6168 -1.5768 -1.5768 -1.4626 -1.4626 -1.4244 -1.4244 -1.2085 -1.2085 -1.1948 -1.1948 -1.0443 -1.0443 -0.9778 -0.9778 -0.4105 -0.4105 -0.4010 -0.4010 -0.1183 -0.1183 -0.1015 -0.1015 0.0255 0.0255 0.0384 0.0384 0.1374 0.1374 0.1433 0.1433 0.5804 0.5804 0.5939 0.5939 0.7810 0.7810 0.7911 0.7911 2.8582 2.8582 2.8909 2.8909 5.6482 5.6482 5.6729 5.6729 6.3907 6.3907 6.4049 6.4049 7.8601 7.8601 7.8855 7.8855 k = 0.5000 0.4221-0.0000 ( 11932 PWs) bands (ev): -15.5904 -15.5904 -15.5881 -15.5881 -13.7125 -13.7125 -13.7046 -13.7046 -13.6517 -13.6517 -13.6449 -13.6449 -12.8275 -12.8275 -12.8243 -12.8243 -12.3752 -12.3752 -12.3751 -12.3751 -8.3489 -8.3489 -8.3464 -8.3464 -4.3026 -4.3026 -4.2972 -4.2972 -3.9647 -3.9647 -3.9585 -3.9585 -3.5487 -3.5487 -3.5452 -3.5452 -1.9632 -1.9632 -1.9457 -1.9457 -1.6073 -1.6073 -1.5871 -1.5871 -1.4540 -1.4540 -1.4347 -1.4347 -1.2028 -1.2028 -1.1959 -1.1959 -1.0264 -1.0264 -0.9930 -0.9930 -0.4098 -0.4098 -0.4050 -0.4050 -0.1153 -0.1153 -0.1067 -0.1067 0.0294 0.0294 0.0358 0.0358 0.1384 0.1384 0.1415 0.1415 0.5833 0.5833 0.5902 0.5902 0.7829 0.7829 0.7880 0.7880 2.8714 2.8714 2.8878 2.8878 5.6516 5.6516 5.6640 5.6640 6.4020 6.4020 6.4090 6.4090 7.8678 7.8678 7.8805 7.8805 k = 0.5000 0.4413-0.0000 ( 11936 PWs) bands (ev): -15.5892 -15.5892 -15.5892 -15.5892 -13.7086 -13.7086 -13.7086 -13.7086 -13.6485 -13.6485 -13.6485 -13.6485 -12.8259 -12.8259 -12.8259 -12.8259 -12.3751 -12.3751 -12.3751 -12.3751 -8.3471 -8.3471 -8.3471 -8.3471 -4.3006 -4.3006 -4.3006 -4.3006 -3.9615 -3.9615 -3.9615 -3.9615 -3.5470 -3.5470 -3.5470 -3.5470 -1.9551 -1.9551 -1.9551 -1.9551 -1.5973 -1.5973 -1.5973 -1.5973 -1.4446 -1.4446 -1.4446 -1.4446 -1.1986 -1.1986 -1.1986 -1.1986 -1.0093 -1.0093 -1.0093 -1.0093 -0.4080 -0.4080 -0.4080 -0.4080 -0.1114 -0.1114 -0.1114 -0.1114 0.0328 0.0328 0.0328 0.0328 0.1398 0.1398 0.1398 0.1398 0.5866 0.5866 0.5866 0.5866 0.7853 0.7853 0.7853 0.7853 2.8813 2.8813 2.8813 2.8813 5.6569 5.6569 5.6569 5.6569 6.4081 6.4081 6.4081 6.4081 7.8746 7.8746 7.8746 7.8746 k = 0.5000 0.4413-0.0000 ( 11936 PWs) bands (ev): -15.5892 -15.5892 -15.5892 -15.5892 -13.7086 -13.7086 -13.7086 -13.7086 -13.6485 -13.6485 -13.6485 -13.6485 -12.8259 -12.8259 -12.8259 -12.8259 -12.3751 -12.3751 -12.3751 -12.3751 -8.3471 -8.3471 -8.3471 -8.3471 -4.3006 -4.3006 -4.3006 -4.3006 -3.9615 -3.9615 -3.9615 -3.9615 -3.5470 -3.5470 -3.5470 -3.5470 -1.9551 -1.9551 -1.9551 -1.9551 -1.5973 -1.5973 -1.5973 -1.5973 -1.4446 -1.4446 -1.4446 -1.4446 -1.1986 -1.1986 -1.1986 -1.1986 -1.0093 -1.0093 -1.0093 -1.0093 -0.4080 -0.4080 -0.4080 -0.4080 -0.1114 -0.1114 -0.1114 -0.1114 0.0328 0.0328 0.0328 0.0328 0.1398 0.1398 0.1398 0.1398 0.5866 0.5866 0.5866 0.5866 0.7853 0.7853 0.7853 0.7853 2.8813 2.8813 2.8813 2.8813 5.6569 5.6569 5.6569 5.6569 6.4081 6.4081 6.4081 6.4081 7.8746 7.8746 7.8746 7.8746 k = 0.4808 0.4413-0.0000 ( 11932 PWs) bands (ev): -15.5893 -15.5893 -15.5893 -15.5893 -13.7082 -13.7082 -13.7082 -13.7082 -13.6485 -13.6485 -13.6485 -13.6485 -12.8259 -12.8259 -12.8259 -12.8259 -12.3752 -12.3752 -12.3752 -12.3752 -8.3474 -8.3474 -8.3474 -8.3474 -4.3006 -4.3006 -4.3006 -4.3006 -3.9625 -3.9625 -3.9625 -3.9625 -3.5470 -3.5470 -3.5470 -3.5470 -1.9544 -1.9544 -1.9544 -1.9544 -1.5968 -1.5968 -1.5968 -1.5968 -1.4430 -1.4430 -1.4430 -1.4430 -1.1991 -1.1991 -1.1991 -1.1991 -1.0090 -1.0090 -1.0090 -1.0090 -0.4107 -0.4107 -0.4107 -0.4107 -0.1100 -0.1100 -0.1100 -0.1100 0.0326 0.0326 0.0326 0.0326 0.1398 0.1398 0.1398 0.1398 0.5867 0.5867 0.5867 0.5867 0.7852 0.7852 0.7852 0.7852 2.8816 2.8816 2.8816 2.8816 5.6576 5.6576 5.6576 5.6576 6.4080 6.4080 6.4080 6.4080 7.8745 7.8745 7.8745 7.8745 k = 0.4615 0.4413-0.0000 ( 11930 PWs) bands (ev): -15.5898 -15.5898 -15.5898 -15.5898 -13.7072 -13.7072 -13.7072 -13.7072 -13.6483 -13.6483 -13.6483 -13.6483 -12.8259 -12.8259 -12.8259 -12.8259 -12.3755 -12.3755 -12.3755 -12.3755 -8.3482 -8.3482 -8.3482 -8.3482 -4.3003 -4.3003 -4.3003 -4.3003 -3.9652 -3.9652 -3.9652 -3.9652 -3.5472 -3.5472 -3.5472 -3.5472 -1.9524 -1.9524 -1.9524 -1.9524 -1.5952 -1.5952 -1.5952 -1.5952 -1.4382 -1.4382 -1.4382 -1.4382 -1.2007 -1.2007 -1.2007 -1.2007 -1.0080 -1.0080 -1.0080 -1.0080 -0.4188 -0.4188 -0.4188 -0.4188 -0.1059 -0.1059 -0.1059 -0.1059 0.0321 0.0321 0.0321 0.0321 0.1398 0.1398 0.1398 0.1398 0.5869 0.5869 0.5869 0.5869 0.7849 0.7849 0.7849 0.7849 2.8822 2.8822 2.8822 2.8822 5.6599 5.6599 5.6599 5.6599 6.4078 6.4078 6.4078 6.4078 7.8740 7.8740 7.8740 7.8740 k = 0.4423 0.4413-0.0000 ( 11930 PWs) bands (ev): -15.5906 -15.5906 -15.5906 -15.5906 -13.7055 -13.7055 -13.7055 -13.7055 -13.6480 -13.6480 -13.6480 -13.6480 -12.8259 -12.8259 -12.8259 -12.8259 -12.3761 -12.3761 -12.3761 -12.3761 -8.3495 -8.3495 -8.3495 -8.3495 -4.2999 -4.2999 -4.2999 -4.2999 -3.9698 -3.9698 -3.9698 -3.9698 -3.5476 -3.5476 -3.5476 -3.5476 -1.9489 -1.9489 -1.9489 -1.9489 -1.5926 -1.5926 -1.5926 -1.5926 -1.4302 -1.4302 -1.4302 -1.4302 -1.2032 -1.2032 -1.2032 -1.2032 -1.0065 -1.0065 -1.0065 -1.0065 -0.4316 -0.4316 -0.4316 -0.4316 -0.0997 -0.0997 -0.0997 -0.0997 0.0313 0.0313 0.0313 0.0313 0.1398 0.1398 0.1398 0.1398 0.5873 0.5873 0.5873 0.5873 0.7846 0.7846 0.7846 0.7846 2.8833 2.8833 2.8833 2.8833 5.6635 5.6635 5.6635 5.6635 6.4074 6.4074 6.4074 6.4074 7.8733 7.8733 7.8733 7.8733 k = 0.4231 0.4413-0.0000 ( 11926 PWs) bands (ev): -15.5916 -15.5916 -15.5916 -15.5916 -13.7031 -13.7031 -13.7031 -13.7031 -13.6476 -13.6476 -13.6476 -13.6476 -12.8260 -12.8260 -12.8260 -12.8260 -12.3769 -12.3769 -12.3769 -12.3769 -8.3512 -8.3512 -8.3512 -8.3512 -4.2993 -4.2993 -4.2993 -4.2993 -3.9760 -3.9760 -3.9760 -3.9760 -3.5481 -3.5481 -3.5481 -3.5481 -1.9442 -1.9442 -1.9442 -1.9442 -1.5890 -1.5890 -1.5890 -1.5890 -1.4192 -1.4192 -1.4192 -1.4192 -1.2067 -1.2067 -1.2067 -1.2067 -1.0044 -1.0044 -1.0044 -1.0044 -0.4484 -0.4484 -0.4484 -0.4484 -0.0922 -0.0922 -0.0922 -0.0922 0.0302 0.0302 0.0302 0.0302 0.1398 0.1398 0.1398 0.1398 0.5877 0.5877 0.5877 0.5877 0.7841 0.7841 0.7841 0.7841 2.8849 2.8849 2.8849 2.8849 5.6686 5.6686 5.6686 5.6686 6.4069 6.4069 6.4069 6.4069 7.8723 7.8723 7.8723 7.8723 k = 0.4038 0.4413-0.0000 ( 11938 PWs) bands (ev): -15.5929 -15.5929 -15.5929 -15.5929 -13.7002 -13.7002 -13.7002 -13.7002 -13.6470 -13.6470 -13.6470 -13.6470 -12.8260 -12.8260 -12.8260 -12.8260 -12.3779 -12.3779 -12.3779 -12.3779 -8.3535 -8.3535 -8.3535 -8.3535 -4.2986 -4.2986 -4.2986 -4.2986 -3.9838 -3.9838 -3.9838 -3.9838 -3.5486 -3.5486 -3.5486 -3.5486 -1.9381 -1.9381 -1.9381 -1.9381 -1.5846 -1.5846 -1.5846 -1.5846 -1.4052 -1.4052 -1.4052 -1.4052 -1.2112 -1.2112 -1.2112 -1.2112 -1.0018 -1.0018 -1.0018 -1.0018 -0.4682 -0.4682 -0.4682 -0.4682 -0.0839 -0.0839 -0.0839 -0.0839 0.0288 0.0288 0.0288 0.0288 0.1396 0.1396 0.1396 0.1396 0.5882 0.5882 0.5882 0.5882 0.7835 0.7835 0.7835 0.7835 2.8869 2.8869 2.8869 2.8869 5.6750 5.6750 5.6750 5.6750 6.4063 6.4063 6.4063 6.4063 7.8711 7.8711 7.8711 7.8711 k = 0.3846 0.4413-0.0000 ( 11938 PWs) bands (ev): -15.5945 -15.5945 -15.5945 -15.5945 -13.6969 -13.6969 -13.6969 -13.6969 -13.6462 -13.6462 -13.6462 -13.6462 -12.8260 -12.8260 -12.8260 -12.8260 -12.3790 -12.3790 -12.3790 -12.3790 -8.3562 -8.3562 -8.3562 -8.3562 -4.2977 -4.2977 -4.2977 -4.2977 -3.9929 -3.9929 -3.9929 -3.9929 -3.5494 -3.5494 -3.5494 -3.5494 -1.9307 -1.9307 -1.9307 -1.9307 -1.5794 -1.5794 -1.5794 -1.5794 -1.3886 -1.3886 -1.3886 -1.3886 -1.2167 -1.2167 -1.2167 -1.2167 -0.9987 -0.9987 -0.9987 -0.9987 -0.4905 -0.4905 -0.4905 -0.4905 -0.0755 -0.0755 -0.0755 -0.0755 0.0271 0.0271 0.0271 0.0271 0.1394 0.1394 0.1394 0.1394 0.5887 0.5887 0.5887 0.5887 0.7830 0.7830 0.7830 0.7830 2.8894 2.8894 2.8894 2.8894 5.6827 5.6827 5.6827 5.6827 6.4055 6.4055 6.4055 6.4055 7.8696 7.8696 7.8696 7.8696 k = 0.3654 0.4413-0.0000 ( 11906 PWs) bands (ev): -15.5963 -15.5963 -15.5963 -15.5963 -13.6932 -13.6932 -13.6932 -13.6932 -13.6451 -13.6451 -13.6451 -13.6451 -12.8260 -12.8260 -12.8260 -12.8260 -12.3804 -12.3804 -12.3804 -12.3804 -8.3593 -8.3593 -8.3593 -8.3593 -4.2968 -4.2968 -4.2968 -4.2968 -4.0031 -4.0031 -4.0031 -4.0031 -3.5502 -3.5502 -3.5502 -3.5502 -1.9220 -1.9220 -1.9220 -1.9220 -1.5734 -1.5734 -1.5734 -1.5734 -1.3695 -1.3695 -1.3695 -1.3695 -1.2231 -1.2231 -1.2231 -1.2231 -0.9952 -0.9952 -0.9952 -0.9952 -0.5145 -0.5145 -0.5145 -0.5145 -0.0675 -0.0675 -0.0675 -0.0675 0.0253 0.0253 0.0253 0.0253 0.1391 0.1391 0.1391 0.1391 0.5891 0.5891 0.5891 0.5891 0.7824 0.7824 0.7824 0.7824 2.8924 2.8924 2.8924 2.8924 5.6916 5.6916 5.6916 5.6916 6.4046 6.4046 6.4046 6.4046 7.8679 7.8679 7.8679 7.8679 k = 0.3462 0.4413-0.0000 ( 11900 PWs) bands (ev): -15.5983 -15.5983 -15.5983 -15.5983 -13.6894 -13.6894 -13.6894 -13.6894 -13.6436 -13.6436 -13.6436 -13.6436 -12.8261 -12.8261 -12.8261 -12.8261 -12.3820 -12.3820 -12.3820 -12.3820 -8.3627 -8.3627 -8.3627 -8.3627 -4.2959 -4.2959 -4.2959 -4.2959 -4.0142 -4.0142 -4.0142 -4.0142 -3.5511 -3.5511 -3.5511 -3.5511 -1.9122 -1.9122 -1.9122 -1.9122 -1.5668 -1.5668 -1.5668 -1.5668 -1.3484 -1.3484 -1.3484 -1.3484 -1.2304 -1.2304 -1.2304 -1.2304 -0.9915 -0.9915 -0.9915 -0.9915 -0.5396 -0.5396 -0.5396 -0.5396 -0.0601 -0.0601 -0.0601 -0.0601 0.0234 0.0234 0.0234 0.0234 0.1385 0.1385 0.1385 0.1385 0.5893 0.5893 0.5893 0.5893 0.7820 0.7820 0.7820 0.7820 2.8958 2.8958 2.8958 2.8958 5.7016 5.7016 5.7016 5.7016 6.4036 6.4036 6.4036 6.4036 7.8660 7.8660 7.8660 7.8660 k = 0.3269 0.4413-0.0000 ( 11898 PWs) bands (ev): -15.6005 -15.6005 -15.6005 -15.6005 -13.6856 -13.6856 -13.6856 -13.6856 -13.6416 -13.6416 -13.6416 -13.6416 -12.8261 -12.8261 -12.8261 -12.8261 -12.3837 -12.3837 -12.3837 -12.3837 -8.3664 -8.3664 -8.3664 -8.3664 -4.2950 -4.2950 -4.2950 -4.2950 -4.0260 -4.0260 -4.0260 -4.0260 -3.5520 -3.5520 -3.5520 -3.5520 -1.9012 -1.9012 -1.9012 -1.9012 -1.5595 -1.5595 -1.5595 -1.5595 -1.3258 -1.3258 -1.3258 -1.3258 -1.2383 -1.2383 -1.2383 -1.2383 -0.9876 -0.9876 -0.9876 -0.9876 -0.5653 -0.5653 -0.5653 -0.5653 -0.0536 -0.0536 -0.0536 -0.0536 0.0214 0.0214 0.0214 0.0214 0.1377 0.1377 0.1377 0.1377 0.5894 0.5894 0.5894 0.5894 0.7817 0.7817 0.7817 0.7817 2.8996 2.8996 2.8996 2.8996 5.7125 5.7125 5.7125 5.7125 6.4025 6.4025 6.4025 6.4025 7.8639 7.8639 7.8639 7.8639 k = 0.3077 0.4413-0.0000 ( 11888 PWs) bands (ev): -15.6028 -15.6028 -15.6028 -15.6028 -13.6820 -13.6820 -13.6820 -13.6820 -13.6390 -13.6390 -13.6390 -13.6390 -12.8262 -12.8262 -12.8262 -12.8262 -12.3855 -12.3855 -12.3855 -12.3855 -8.3704 -8.3704 -8.3704 -8.3704 -4.2941 -4.2941 -4.2941 -4.2941 -4.0382 -4.0382 -4.0382 -4.0382 -3.5530 -3.5530 -3.5530 -3.5530 -1.8892 -1.8892 -1.8892 -1.8892 -1.5517 -1.5517 -1.5517 -1.5517 -1.3027 -1.3027 -1.3027 -1.3027 -1.2462 -1.2462 -1.2462 -1.2462 -0.9836 -0.9836 -0.9836 -0.9836 -0.5912 -0.5912 -0.5912 -0.5912 -0.0481 -0.0481 -0.0481 -0.0481 0.0194 0.0194 0.0194 0.0194 0.1365 0.1365 0.1365 0.1365 0.5892 0.5892 0.5892 0.5892 0.7815 0.7815 0.7815 0.7815 2.9039 2.9039 2.9039 2.9039 5.7243 5.7243 5.7243 5.7243 6.4013 6.4013 6.4013 6.4013 7.8617 7.8617 7.8617 7.8617 k = 0.2885 0.4413-0.0000 ( 11880 PWs) bands (ev): -15.6052 -15.6052 -15.6052 -15.6052 -13.6787 -13.6787 -13.6787 -13.6787 -13.6358 -13.6358 -13.6358 -13.6358 -12.8262 -12.8262 -12.8262 -12.8262 -12.3874 -12.3874 -12.3874 -12.3874 -8.3746 -8.3746 -8.3746 -8.3746 -4.2932 -4.2932 -4.2932 -4.2932 -4.0507 -4.0507 -4.0507 -4.0507 -3.5541 -3.5541 -3.5541 -3.5541 -1.8761 -1.8761 -1.8761 -1.8761 -1.5432 -1.5432 -1.5432 -1.5432 -1.2828 -1.2828 -1.2828 -1.2828 -1.2507 -1.2507 -1.2507 -1.2507 -0.9798 -0.9798 -0.9798 -0.9798 -0.6168 -0.6168 -0.6168 -0.6168 -0.0437 -0.0437 -0.0437 -0.0437 0.0175 0.0175 0.0175 0.0175 0.1350 0.1350 0.1350 0.1350 0.5887 0.5887 0.5887 0.5887 0.7816 0.7816 0.7816 0.7816 2.9085 2.9085 2.9085 2.9085 5.7369 5.7369 5.7369 5.7369 6.4000 6.4000 6.4000 6.4000 7.8594 7.8594 7.8594 7.8594 k = 0.2692 0.4413-0.0000 ( 11872 PWs) bands (ev): -15.6076 -15.6076 -15.6076 -15.6076 -13.6759 -13.6759 -13.6759 -13.6759 -13.6319 -13.6319 -13.6319 -13.6319 -12.8262 -12.8262 -12.8262 -12.8262 -12.3895 -12.3895 -12.3895 -12.3895 -8.3789 -8.3789 -8.3789 -8.3789 -4.2926 -4.2926 -4.2926 -4.2926 -4.0630 -4.0630 -4.0630 -4.0630 -3.5552 -3.5552 -3.5552 -3.5552 -1.8621 -1.8621 -1.8621 -1.8621 -1.5343 -1.5343 -1.5343 -1.5343 -1.2790 -1.2790 -1.2790 -1.2790 -1.2396 -1.2396 -1.2396 -1.2396 -0.9763 -0.9763 -0.9763 -0.9763 -0.6416 -0.6416 -0.6416 -0.6416 -0.0404 -0.0404 -0.0404 -0.0404 0.0155 0.0155 0.0155 0.0155 0.1330 0.1330 0.1330 0.1330 0.5880 0.5880 0.5880 0.5880 0.7819 0.7819 0.7819 0.7819 2.9135 2.9135 2.9135 2.9135 5.7499 5.7499 5.7499 5.7499 6.3987 6.3987 6.3987 6.3987 7.8570 7.8570 7.8570 7.8570 k = 0.2500 0.4413-0.0000 ( 11894 PWs) bands (ev): -15.6101 -15.6101 -15.6101 -15.6101 -13.6737 -13.6737 -13.6737 -13.6737 -13.6273 -13.6273 -13.6273 -13.6273 -12.8263 -12.8263 -12.8263 -12.8263 -12.3915 -12.3915 -12.3915 -12.3915 -8.3833 -8.3833 -8.3833 -8.3833 -4.2921 -4.2921 -4.2921 -4.2921 -4.0751 -4.0751 -4.0751 -4.0751 -3.5563 -3.5563 -3.5563 -3.5563 -1.8473 -1.8473 -1.8473 -1.8473 -1.5248 -1.5248 -1.5248 -1.5248 -1.2876 -1.2876 -1.2876 -1.2876 -1.2168 -1.2168 -1.2168 -1.2168 -0.9732 -0.9732 -0.9732 -0.9732 -0.6651 -0.6651 -0.6651 -0.6651 -0.0380 -0.0380 -0.0380 -0.0380 0.0137 0.0137 0.0137 0.0137 0.1306 0.1306 0.1306 0.1306 0.5869 0.5869 0.5869 0.5869 0.7824 0.7824 0.7824 0.7824 2.9188 2.9188 2.9188 2.9188 5.7634 5.7634 5.7634 5.7634 6.3972 6.3972 6.3972 6.3972 7.8545 7.8545 7.8545 7.8545 k = 0.2308 0.4413-0.0000 ( 11892 PWs) bands (ev): -15.6126 -15.6126 -15.6126 -15.6126 -13.6719 -13.6719 -13.6719 -13.6719 -13.6223 -13.6223 -13.6223 -13.6223 -12.8263 -12.8263 -12.8263 -12.8263 -12.3936 -12.3936 -12.3936 -12.3936 -8.3877 -8.3877 -8.3877 -8.3877 -4.2919 -4.2919 -4.2919 -4.2919 -4.0867 -4.0867 -4.0867 -4.0867 -3.5574 -3.5574 -3.5574 -3.5574 -1.8317 -1.8317 -1.8317 -1.8317 -1.5150 -1.5150 -1.5150 -1.5150 -1.2992 -1.2992 -1.2992 -1.2992 -1.1924 -1.1924 -1.1924 -1.1924 -0.9707 -0.9707 -0.9707 -0.9707 -0.6870 -0.6870 -0.6870 -0.6870 -0.0366 -0.0366 -0.0366 -0.0366 0.0120 0.0120 0.0120 0.0120 0.1277 0.1277 0.1277 0.1277 0.5856 0.5856 0.5856 0.5856 0.7832 0.7832 0.7832 0.7832 2.9243 2.9243 2.9243 2.9243 5.7771 5.7771 5.7771 5.7771 6.3956 6.3956 6.3956 6.3956 7.8521 7.8521 7.8521 7.8521 k = 0.2115 0.4413-0.0000 ( 11912 PWs) bands (ev): -15.6150 -15.6150 -15.6150 -15.6150 -13.6705 -13.6705 -13.6705 -13.6705 -13.6169 -13.6169 -13.6169 -13.6169 -12.8264 -12.8264 -12.8264 -12.8264 -12.3958 -12.3958 -12.3958 -12.3958 -8.3920 -8.3920 -8.3920 -8.3920 -4.2919 -4.2919 -4.2919 -4.2919 -4.0977 -4.0977 -4.0977 -4.0977 -3.5585 -3.5585 -3.5585 -3.5585 -1.8155 -1.8155 -1.8155 -1.8155 -1.5049 -1.5049 -1.5049 -1.5049 -1.3120 -1.3120 -1.3120 -1.3120 -1.1686 -1.1686 -1.1686 -1.1686 -0.9687 -0.9687 -0.9687 -0.9687 -0.7066 -0.7066 -0.7066 -0.7066 -0.0360 -0.0360 -0.0360 -0.0360 0.0105 0.0105 0.0105 0.0105 0.1244 0.1244 0.1244 0.1244 0.5840 0.5840 0.5840 0.5840 0.7841 0.7841 0.7841 0.7841 2.9299 2.9299 2.9299 2.9299 5.7907 5.7907 5.7907 5.7907 6.3940 6.3940 6.3940 6.3940 7.8497 7.8497 7.8497 7.8497 k = 0.1923 0.4413-0.0000 ( 11920 PWs) bands (ev): -15.6174 -15.6174 -15.6174 -15.6174 -13.6695 -13.6695 -13.6695 -13.6695 -13.6113 -13.6113 -13.6113 -13.6113 -12.8264 -12.8264 -12.8264 -12.8264 -12.3978 -12.3978 -12.3978 -12.3978 -8.3963 -8.3963 -8.3963 -8.3963 -4.2922 -4.2922 -4.2922 -4.2922 -4.1078 -4.1078 -4.1078 -4.1078 -3.5595 -3.5595 -3.5595 -3.5595 -1.7988 -1.7988 -1.7988 -1.7988 -1.4945 -1.4945 -1.4945 -1.4945 -1.3255 -1.3255 -1.3255 -1.3255 -1.1468 -1.1468 -1.1468 -1.1468 -0.9671 -0.9671 -0.9671 -0.9671 -0.7237 -0.7237 -0.7237 -0.7237 -0.0361 -0.0361 -0.0361 -0.0361 0.0090 0.0090 0.0090 0.0090 0.1207 0.1207 0.1207 0.1207 0.5822 0.5822 0.5822 0.5822 0.7852 0.7852 0.7852 0.7852 2.9356 2.9356 2.9356 2.9356 5.8043 5.8043 5.8043 5.8043 6.3923 6.3923 6.3923 6.3923 7.8474 7.8474 7.8474 7.8474 k = 0.1731 0.4413-0.0000 ( 11908 PWs) bands (ev): -15.6196 -15.6196 -15.6196 -15.6196 -13.6687 -13.6687 -13.6687 -13.6687 -13.6058 -13.6058 -13.6058 -13.6058 -12.8265 -12.8265 -12.8265 -12.8265 -12.3998 -12.3998 -12.3998 -12.3998 -8.4003 -8.4003 -8.4003 -8.4003 -4.2928 -4.2928 -4.2928 -4.2928 -4.1169 -4.1169 -4.1169 -4.1169 -3.5605 -3.5605 -3.5605 -3.5605 -1.7818 -1.7818 -1.7818 -1.7818 -1.4842 -1.4842 -1.4842 -1.4842 -1.3394 -1.3394 -1.3394 -1.3394 -1.1279 -1.1279 -1.1279 -1.1279 -0.9654 -0.9654 -0.9654 -0.9654 -0.7380 -0.7380 -0.7380 -0.7380 -0.0367 -0.0367 -0.0367 -0.0367 0.0077 0.0077 0.0077 0.0077 0.1167 0.1167 0.1167 0.1167 0.5804 0.5804 0.5804 0.5804 0.7864 0.7864 0.7864 0.7864 2.9412 2.9412 2.9412 2.9412 5.8174 5.8174 5.8174 5.8174 6.3906 6.3906 6.3906 6.3906 7.8451 7.8451 7.8451 7.8451 k = 0.1538 0.4413-0.0000 ( 11904 PWs) bands (ev): -15.6217 -15.6217 -15.6217 -15.6217 -13.6681 -13.6681 -13.6681 -13.6681 -13.6004 -13.6004 -13.6004 -13.6004 -12.8265 -12.8265 -12.8265 -12.8265 -12.4017 -12.4017 -12.4017 -12.4017 -8.4041 -8.4041 -8.4041 -8.4041 -4.2937 -4.2937 -4.2937 -4.2937 -4.1250 -4.1250 -4.1250 -4.1250 -3.5614 -3.5614 -3.5614 -3.5614 -1.7647 -1.7647 -1.7647 -1.7647 -1.4741 -1.4741 -1.4741 -1.4741 -1.3533 -1.3533 -1.3533 -1.3533 -1.1131 -1.1131 -1.1131 -1.1131 -0.9631 -0.9631 -0.9631 -0.9631 -0.7493 -0.7493 -0.7493 -0.7493 -0.0378 -0.0378 -0.0378 -0.0378 0.0064 0.0064 0.0064 0.0064 0.1125 0.1125 0.1125 0.1125 0.5784 0.5784 0.5784 0.5784 0.7877 0.7877 0.7877 0.7877 2.9466 2.9466 2.9466 2.9466 5.8300 5.8300 5.8300 5.8300 6.3888 6.3888 6.3888 6.3888 7.8430 7.8430 7.8430 7.8430 k = 0.1346 0.4413-0.0000 ( 11906 PWs) bands (ev): -15.6236 -15.6236 -15.6236 -15.6236 -13.6677 -13.6677 -13.6677 -13.6677 -13.5954 -13.5954 -13.5954 -13.5954 -12.8266 -12.8266 -12.8266 -12.8266 -12.4035 -12.4035 -12.4035 -12.4035 -8.4076 -8.4076 -8.4076 -8.4076 -4.2948 -4.2948 -4.2948 -4.2948 -4.1320 -4.1320 -4.1320 -4.1320 -3.5623 -3.5623 -3.5623 -3.5623 -1.7477 -1.7477 -1.7477 -1.7477 -1.4647 -1.4647 -1.4647 -1.4647 -1.3668 -1.3668 -1.3668 -1.3668 -1.1031 -1.1031 -1.1031 -1.1031 -0.9594 -0.9594 -0.9594 -0.9594 -0.7578 -0.7578 -0.7578 -0.7578 -0.0391 -0.0391 -0.0391 -0.0391 0.0054 0.0054 0.0054 0.0054 0.1082 0.1082 0.1082 0.1082 0.5765 0.5765 0.5765 0.5765 0.7890 0.7890 0.7890 0.7890 2.9518 2.9518 2.9518 2.9518 5.8418 5.8418 5.8418 5.8418 6.3871 6.3871 6.3871 6.3871 7.8410 7.8410 7.8410 7.8410 k = 0.1154 0.4413-0.0000 ( 11906 PWs) bands (ev): -15.6253 -15.6253 -15.6253 -15.6253 -13.6674 -13.6674 -13.6674 -13.6674 -13.5908 -13.5908 -13.5908 -13.5908 -12.8266 -12.8266 -12.8266 -12.8266 -12.4051 -12.4051 -12.4051 -12.4051 -8.4107 -8.4107 -8.4107 -8.4107 -4.2961 -4.2961 -4.2961 -4.2961 -4.1380 -4.1380 -4.1380 -4.1380 -3.5630 -3.5630 -3.5630 -3.5630 -1.7311 -1.7311 -1.7311 -1.7311 -1.4566 -1.4566 -1.4566 -1.4566 -1.3792 -1.3792 -1.3792 -1.3792 -1.0981 -1.0981 -1.0981 -1.0981 -0.9540 -0.9540 -0.9540 -0.9540 -0.7637 -0.7637 -0.7637 -0.7637 -0.0406 -0.0406 -0.0406 -0.0406 0.0044 0.0044 0.0044 0.0044 0.1041 0.1041 0.1041 0.1041 0.5747 0.5747 0.5747 0.5747 0.7902 0.7902 0.7902 0.7902 2.9566 2.9566 2.9566 2.9566 5.8525 5.8525 5.8525 5.8525 6.3854 6.3854 6.3854 6.3854 7.8393 7.8393 7.8393 7.8393 k = 0.0962 0.4413-0.0000 ( 11898 PWs) bands (ev): -15.6268 -15.6268 -15.6268 -15.6268 -13.6671 -13.6671 -13.6671 -13.6671 -13.5867 -13.5867 -13.5867 -13.5867 -12.8266 -12.8266 -12.8266 -12.8266 -12.4065 -12.4065 -12.4065 -12.4065 -8.4134 -8.4134 -8.4134 -8.4134 -4.2974 -4.2974 -4.2974 -4.2974 -4.1429 -4.1429 -4.1429 -4.1429 -3.5637 -3.5637 -3.5637 -3.5637 -1.7153 -1.7153 -1.7153 -1.7153 -1.4508 -1.4508 -1.4508 -1.4508 -1.3894 -1.3894 -1.3894 -1.3894 -1.0973 -1.0973 -1.0973 -1.0973 -0.9474 -0.9474 -0.9474 -0.9474 -0.7676 -0.7676 -0.7676 -0.7676 -0.0421 -0.0421 -0.0421 -0.0421 0.0036 0.0036 0.0036 0.0036 0.1002 0.1002 0.1002 0.1002 0.5730 0.5730 0.5730 0.5730 0.7914 0.7914 0.7914 0.7914 2.9608 2.9608 2.9608 2.9608 5.8620 5.8620 5.8620 5.8620 6.3839 6.3839 6.3839 6.3839 7.8378 7.8378 7.8378 7.8378 k = 0.0769 0.4413-0.0000 ( 11888 PWs) bands (ev): -15.6280 -15.6280 -15.6280 -15.6280 -13.6670 -13.6670 -13.6670 -13.6670 -13.5833 -13.5833 -13.5833 -13.5833 -12.8266 -12.8266 -12.8266 -12.8266 -12.4077 -12.4077 -12.4077 -12.4077 -8.4157 -8.4157 -8.4157 -8.4157 -4.2987 -4.2987 -4.2987 -4.2987 -4.1467 -4.1467 -4.1467 -4.1467 -3.5642 -3.5642 -3.5642 -3.5642 -1.7008 -1.7008 -1.7008 -1.7008 -1.4486 -1.4486 -1.4486 -1.4486 -1.3959 -1.3959 -1.3959 -1.3959 -1.0995 -1.0995 -1.0995 -1.0995 -0.9403 -0.9403 -0.9403 -0.9403 -0.7699 -0.7699 -0.7699 -0.7699 -0.0435 -0.0435 -0.0435 -0.0435 0.0029 0.0029 0.0029 0.0029 0.0968 0.0968 0.0968 0.0968 0.5715 0.5715 0.5715 0.5715 0.7924 0.7924 0.7924 0.7924 2.9645 2.9645 2.9645 2.9645 5.8702 5.8702 5.8702 5.8702 6.3825 6.3825 6.3825 6.3825 7.8365 7.8365 7.8365 7.8365 k = 0.0577 0.4413-0.0000 ( 11900 PWs) bands (ev): -15.6290 -15.6290 -15.6290 -15.6290 -13.6669 -13.6669 -13.6669 -13.6669 -13.5805 -13.5805 -13.5805 -13.5805 -12.8267 -12.8267 -12.8267 -12.8267 -12.4087 -12.4087 -12.4087 -12.4087 -8.4175 -8.4175 -8.4175 -8.4175 -4.2998 -4.2998 -4.2998 -4.2998 -4.1496 -4.1496 -4.1496 -4.1496 -3.5647 -3.5647 -3.5647 -3.5647 -1.6882 -1.6882 -1.6882 -1.6882 -1.4504 -1.4504 -1.4504 -1.4504 -1.3982 -1.3982 -1.3982 -1.3982 -1.1030 -1.1030 -1.1030 -1.1030 -0.9338 -0.9338 -0.9338 -0.9338 -0.7710 -0.7710 -0.7710 -0.7710 -0.0447 -0.0447 -0.0447 -0.0447 0.0023 0.0023 0.0023 0.0023 0.0940 0.0940 0.0940 0.0940 0.5703 0.5703 0.5703 0.5703 0.7932 0.7932 0.7932 0.7932 2.9674 2.9674 2.9674 2.9674 5.8767 5.8767 5.8767 5.8767 6.3813 6.3813 6.3813 6.3813 7.8355 7.8355 7.8355 7.8355 k = 0.0385 0.4413-0.0000 ( 11892 PWs) bands (ev): -15.6297 -15.6297 -15.6297 -15.6297 -13.6668 -13.6668 -13.6668 -13.6668 -13.5785 -13.5785 -13.5785 -13.5785 -12.8267 -12.8267 -12.8267 -12.8267 -12.4093 -12.4093 -12.4093 -12.4093 -8.4189 -8.4189 -8.4189 -8.4189 -4.3007 -4.3007 -4.3007 -4.3007 -4.1517 -4.1517 -4.1517 -4.1517 -3.5650 -3.5650 -3.5650 -3.5650 -1.6783 -1.6783 -1.6783 -1.6783 -1.4543 -1.4543 -1.4543 -1.4543 -1.3977 -1.3977 -1.3977 -1.3977 -1.1065 -1.1065 -1.1065 -1.1065 -0.9287 -0.9287 -0.9287 -0.9287 -0.7715 -0.7715 -0.7715 -0.7715 -0.0457 -0.0457 -0.0457 -0.0457 0.0019 0.0019 0.0019 0.0019 0.0918 0.0918 0.0918 0.0918 0.5694 0.5694 0.5694 0.5694 0.7938 0.7938 0.7938 0.7938 2.9695 2.9695 2.9695 2.9695 5.8814 5.8814 5.8814 5.8814 6.3805 6.3805 6.3805 6.3805 7.8347 7.8347 7.8347 7.8347 k = 0.0192 0.4413-0.0000 ( 11880 PWs) bands (ev): -15.6301 -15.6301 -15.6301 -15.6301 -13.6667 -13.6667 -13.6667 -13.6667 -13.5772 -13.5772 -13.5772 -13.5772 -12.8267 -12.8267 -12.8267 -12.8267 -12.4098 -12.4098 -12.4098 -12.4098 -8.4197 -8.4197 -8.4197 -8.4197 -4.3013 -4.3013 -4.3013 -4.3013 -4.1529 -4.1529 -4.1529 -4.1529 -3.5652 -3.5652 -3.5652 -3.5652 -1.6719 -1.6719 -1.6719 -1.6719 -1.4578 -1.4578 -1.4578 -1.4578 -1.3966 -1.3966 -1.3966 -1.3966 -1.1091 -1.1091 -1.1091 -1.1091 -0.9254 -0.9254 -0.9254 -0.9254 -0.7717 -0.7717 -0.7717 -0.7717 -0.0463 -0.0463 -0.0463 -0.0463 0.0017 0.0017 0.0017 0.0017 0.0905 0.0905 0.0905 0.0905 0.5689 0.5689 0.5689 0.5689 0.7942 0.7942 0.7942 0.7942 2.9709 2.9709 2.9709 2.9709 5.8844 5.8844 5.8844 5.8844 6.3799 6.3799 6.3799 6.3799 7.8343 7.8343 7.8343 7.8343 k = 0.0000 0.4413-0.0000 ( 11892 PWs) bands (ev): -15.6303 -15.6303 -15.6303 -15.6303 -13.6667 -13.6667 -13.6667 -13.6667 -13.5768 -13.5768 -13.5768 -13.5768 -12.8267 -12.8267 -12.8267 -12.8267 -12.4099 -12.4099 -12.4099 -12.4099 -8.4199 -8.4199 -8.4199 -8.4199 -4.3015 -4.3015 -4.3015 -4.3015 -4.1533 -4.1533 -4.1533 -4.1533 -3.5652 -3.5652 -3.5652 -3.5652 -1.6697 -1.6697 -1.6697 -1.6697 -1.4591 -1.4591 -1.4591 -1.4591 -1.3961 -1.3961 -1.3961 -1.3961 -1.1100 -1.1100 -1.1100 -1.1100 -0.9243 -0.9243 -0.9243 -0.9243 -0.7717 -0.7717 -0.7717 -0.7717 -0.0465 -0.0465 -0.0465 -0.0465 0.0016 0.0016 0.0016 0.0016 0.0900 0.0900 0.0900 0.0900 0.5687 0.5687 0.5687 0.5687 0.7943 0.7943 0.7943 0.7943 2.9713 2.9713 2.9713 2.9713 5.8853 5.8853 5.8853 5.8853 6.3797 6.3797 6.3797 6.3797 7.8341 7.8341 7.8341 7.8341 k = 0.0000 0.4413-0.0000 ( 11892 PWs) bands (ev): -15.6303 -15.6303 -15.6303 -15.6303 -13.6667 -13.6667 -13.6667 -13.6667 -13.5768 -13.5768 -13.5768 -13.5768 -12.8267 -12.8267 -12.8267 -12.8267 -12.4099 -12.4099 -12.4099 -12.4099 -8.4199 -8.4199 -8.4199 -8.4199 -4.3015 -4.3015 -4.3015 -4.3015 -4.1533 -4.1533 -4.1533 -4.1533 -3.5652 -3.5652 -3.5652 -3.5652 -1.6697 -1.6697 -1.6697 -1.6697 -1.4591 -1.4591 -1.4591 -1.4591 -1.3961 -1.3961 -1.3961 -1.3961 -1.1100 -1.1100 -1.1100 -1.1100 -0.9243 -0.9243 -0.9243 -0.9243 -0.7717 -0.7717 -0.7717 -0.7717 -0.0465 -0.0465 -0.0465 -0.0465 0.0016 0.0016 0.0016 0.0016 0.0900 0.0900 0.0900 0.0900 0.5687 0.5687 0.5687 0.5687 0.7943 0.7943 0.7943 0.7943 2.9713 2.9713 2.9713 2.9713 5.8853 5.8853 5.8853 5.8853 6.3797 6.3797 6.3797 6.3797 7.8341 7.8341 7.8341 7.8341 k = 0.0000 0.4221-0.0000 ( 11892 PWs) bands (ev): -15.6336 -15.6336 -15.6271 -15.6271 -13.6682 -13.6682 -13.6647 -13.6647 -13.5774 -13.5774 -13.5763 -13.5763 -12.8287 -12.8287 -12.8247 -12.8247 -12.4147 -12.4147 -12.4054 -12.4054 -8.4290 -8.4290 -8.4118 -8.4118 -4.3168 -4.3168 -4.2849 -4.2849 -4.1672 -4.1672 -4.1392 -4.1392 -3.5684 -3.5684 -3.5621 -3.5621 -1.6836 -1.6836 -1.6548 -1.6548 -1.4627 -1.4627 -1.4567 -1.4567 -1.4060 -1.4060 -1.3852 -1.3852 -1.1125 -1.1125 -1.1070 -1.1070 -0.9255 -0.9255 -0.9243 -0.9243 -0.7766 -0.7766 -0.7665 -0.7665 -0.0480 -0.0480 -0.0467 -0.0467 -0.0126 -0.0126 0.0181 0.0181 0.0887 0.0887 0.0920 0.0920 0.5622 0.5622 0.5758 0.5758 0.7936 0.7936 0.7946 0.7946 2.9600 2.9600 2.9791 2.9791 5.8803 5.8803 5.8921 5.8921 6.3728 6.3728 6.3835 6.3835 7.8237 7.8237 7.8440 7.8440 k = 0.0000 0.4029-0.0000 ( 11892 PWs) bands (ev): -15.6370 -15.6370 -15.6242 -15.6242 -13.6691 -13.6691 -13.6621 -13.6621 -13.5780 -13.5780 -13.5757 -13.5757 -12.8307 -12.8307 -12.8227 -12.8227 -12.4197 -12.4197 -12.4011 -12.4011 -8.4389 -8.4389 -8.4046 -8.4046 -4.3309 -4.3309 -4.2671 -4.2671 -4.1809 -4.1809 -4.1250 -4.1250 -3.5715 -3.5715 -3.5590 -3.5590 -1.6963 -1.6963 -1.6390 -1.6390 -1.4675 -1.4675 -1.4550 -1.4550 -1.4147 -1.4147 -1.3739 -1.3739 -1.1147 -1.1147 -1.1036 -1.1036 -0.9283 -0.9283 -0.9254 -0.9254 -0.7805 -0.7805 -0.7617 -0.7617 -0.0570 -0.0570 -0.0464 -0.0464 -0.0181 -0.0181 0.0341 0.0341 0.0879 0.0879 0.0946 0.0946 0.5565 0.5565 0.5835 0.5835 0.7925 0.7925 0.7945 0.7945 2.9453 2.9453 2.9833 2.9833 5.8769 5.8769 5.9006 5.9006 6.3628 6.3628 6.3844 6.3844 7.8127 7.8127 7.8534 7.8534 k = 0.0000 0.3837-0.0000 ( 11900 PWs) bands (ev): -15.6405 -15.6405 -15.6214 -15.6214 -13.6694 -13.6694 -13.6590 -13.6590 -13.5786 -13.5786 -13.5751 -13.5751 -12.8326 -12.8326 -12.8207 -12.8207 -12.4249 -12.4249 -12.3971 -12.3971 -8.4496 -8.4496 -8.3985 -8.3985 -4.3436 -4.3436 -4.2485 -4.2485 -4.1941 -4.1941 -4.1109 -4.1109 -3.5747 -3.5747 -3.5560 -3.5560 -1.7080 -1.7080 -1.6224 -1.6224 -1.4736 -1.4736 -1.4539 -1.4539 -1.4219 -1.4219 -1.3627 -1.3627 -1.1165 -1.1165 -1.0999 -1.0999 -0.9331 -0.9331 -0.9268 -0.9268 -0.7827 -0.7827 -0.7574 -0.7574 -0.0751 -0.0751 -0.0439 -0.0439 -0.0144 -0.0144 0.0485 0.0485 0.0879 0.0879 0.0982 0.0982 0.5516 0.5516 0.5916 0.5916 0.7909 0.7909 0.7939 0.7939 2.9273 2.9273 2.9840 2.9840 5.8751 5.8751 5.9106 5.9106 6.3498 6.3498 6.3826 6.3826 7.8015 7.8015 7.8620 7.8620 k = 0.0000 0.3645-0.0000 ( 11900 PWs) bands (ev): -15.6441 -15.6441 -15.6188 -15.6188 -13.6691 -13.6691 -13.6554 -13.6554 -13.5792 -13.5792 -13.5745 -13.5745 -12.8346 -12.8346 -12.8188 -12.8188 -12.4303 -12.4303 -12.3934 -12.3934 -8.4610 -8.4610 -8.3932 -8.3932 -4.3551 -4.3551 -4.2303 -4.2303 -4.2055 -4.2055 -4.0969 -4.0969 -3.5779 -3.5779 -3.5531 -3.5531 -1.7185 -1.7185 -1.6053 -1.6053 -1.4806 -1.4806 -1.4530 -1.4530 -1.4278 -1.4278 -1.3520 -1.3520 -1.1184 -1.1184 -1.0963 -1.0963 -0.9402 -0.9402 -0.9282 -0.9282 -0.7827 -0.7827 -0.7539 -0.7539 -0.0972 -0.0972 -0.0393 -0.0393 -0.0066 -0.0066 0.0606 0.0606 0.0887 0.0887 0.1031 0.1031 0.5476 0.5476 0.6000 0.6000 0.7890 0.7890 0.7930 0.7930 2.9063 2.9063 2.9811 2.9811 5.8747 5.8747 5.9222 5.9222 6.3339 6.3339 6.3784 6.3784 7.7900 7.7900 7.8699 7.8699 k = 0.0000 0.3453-0.0000 ( 11905 PWs) bands (ev): -15.6478 -15.6478 -15.6164 -15.6164 -13.6683 -13.6683 -13.6515 -13.6515 -13.5798 -13.5798 -13.5739 -13.5739 -12.8365 -12.8365 -12.8169 -12.8169 -12.4359 -12.4359 -12.3899 -12.3899 -8.4730 -8.4730 -8.3890 -8.3890 -4.3652 -4.3652 -4.2258 -4.2258 -4.2020 -4.2020 -4.0830 -4.0830 -3.5810 -3.5810 -3.5503 -3.5503 -1.7278 -1.7278 -1.5879 -1.5879 -1.4879 -1.4879 -1.4519 -1.4519 -1.4327 -1.4327 -1.3422 -1.3422 -1.1204 -1.1204 -1.0930 -1.0930 -0.9495 -0.9495 -0.9290 -0.9290 -0.7802 -0.7802 -0.7510 -0.7510 -0.1213 -0.1213 -0.0328 -0.0328 0.0029 0.0029 0.0698 0.0698 0.0906 0.0906 0.1096 0.1096 0.5445 0.5445 0.6087 0.6087 0.7867 0.7867 0.7918 0.7918 2.8825 2.8825 2.9748 2.9748 5.8755 5.8755 5.9349 5.9349 6.3155 6.3155 6.3725 6.3725 7.7783 7.7783 7.8770 7.8770 k = 0.0000 0.3261-0.0000 ( 11919 PWs) bands (ev): -15.6515 -15.6515 -15.6142 -15.6142 -13.6669 -13.6669 -13.6472 -13.6472 -13.5804 -13.5804 -13.5732 -13.5732 -12.8383 -12.8383 -12.8150 -12.8150 -12.4416 -12.4416 -12.3867 -12.3867 -8.4856 -8.4856 -8.3856 -8.3856 -4.3741 -4.3741 -4.2364 -4.2364 -4.1823 -4.1823 -4.0693 -4.0693 -3.5841 -3.5841 -3.5475 -3.5475 -1.7360 -1.7360 -1.5707 -1.5707 -1.4950 -1.4950 -1.4503 -1.4503 -1.4369 -1.4369 -1.3334 -1.3334 -1.1229 -1.1229 -1.0906 -1.0906 -0.9606 -0.9606 -0.9291 -0.9291 -0.7753 -0.7753 -0.7481 -0.7481 -0.1467 -0.1467 -0.0245 -0.0245 0.0132 0.0132 0.0764 0.0764 0.0939 0.0939 0.1178 0.1178 0.5424 0.5424 0.6175 0.6175 0.7839 0.7839 0.7902 0.7902 2.8562 2.8562 2.9653 2.9653 5.8772 5.8772 5.9486 5.9486 6.2950 6.2950 6.3652 6.3652 7.7666 7.7666 7.8833 7.8833 k = 0.0000 0.3070-0.0000 ( 11911 PWs) bands (ev): -15.6552 -15.6552 -15.6122 -15.6122 -13.6650 -13.6650 -13.6427 -13.6427 -13.5811 -13.5811 -13.5725 -13.5725 -12.8401 -12.8401 -12.8132 -12.8132 -12.4473 -12.4473 -12.3838 -12.3838 -8.4985 -8.4985 -8.3831 -8.3831 -4.3819 -4.3819 -4.2482 -4.2482 -4.1603 -4.1603 -4.0558 -4.0558 -3.5872 -3.5872 -3.5449 -3.5449 -1.7430 -1.7430 -1.5545 -1.5545 -1.5014 -1.5014 -1.4479 -1.4479 -1.4402 -1.4402 -1.3258 -1.3258 -1.1263 -1.1263 -1.0894 -1.0894 -0.9727 -0.9727 -0.9287 -0.9287 -0.7681 -0.7681 -0.7446 -0.7446 -0.1731 -0.1731 -0.0150 -0.0150 0.0236 0.0236 0.0813 0.0813 0.0983 0.0983 0.1270 0.1270 0.5413 0.5413 0.6262 0.6262 0.7807 0.7807 0.7884 0.7884 2.8277 2.8277 2.9528 2.9528 5.8794 5.8794 5.9628 5.9628 6.2729 6.2729 6.3574 6.3574 7.7550 7.7550 7.8888 7.8888 k = 0.0000 0.2878-0.0000 ( 11895 PWs) bands (ev): -15.6589 -15.6589 -15.6104 -15.6104 -13.6626 -13.6626 -13.6379 -13.6379 -13.5817 -13.5817 -13.5718 -13.5718 -12.8418 -12.8418 -12.8115 -12.8115 -12.4531 -12.4531 -12.3811 -12.3811 -8.5116 -8.5116 -8.3814 -8.3814 -4.3886 -4.3886 -4.2599 -4.2599 -4.1376 -4.1376 -4.0427 -4.0427 -3.5901 -3.5901 -3.5423 -3.5423 -1.7489 -1.7489 -1.5405 -1.5405 -1.5067 -1.5067 -1.4476 -1.4476 -1.4389 -1.4389 -1.3195 -1.3195 -1.1310 -1.1310 -1.0897 -1.0897 -0.9850 -0.9850 -0.9281 -0.9281 -0.7593 -0.7593 -0.7395 -0.7395 -0.2003 -0.2003 -0.0048 -0.0048 0.0331 0.0331 0.0863 0.0863 0.1038 0.1038 0.1365 0.1365 0.5413 0.5413 0.6349 0.6349 0.7769 0.7769 0.7864 0.7864 2.7974 2.7974 2.9375 2.9375 5.8819 5.8819 5.9770 5.9770 6.2498 6.2498 6.3496 6.3496 7.7435 7.7435 7.8934 7.8934 k = 0.0000 0.2686-0.0000 ( 11889 PWs) bands (ev): -15.6625 -15.6625 -15.6087 -15.6087 -13.6598 -13.6598 -13.6331 -13.6331 -13.5823 -13.5823 -13.5709 -13.5709 -12.8435 -12.8435 -12.8098 -12.8098 -12.4590 -12.4590 -12.3787 -12.3787 -8.5248 -8.5248 -8.3804 -8.3804 -4.3943 -4.3943 -4.2712 -4.2712 -4.1147 -4.1147 -4.0299 -4.0299 -3.5930 -3.5930 -3.5400 -3.5400 -1.7537 -1.7537 -1.5302 -1.5302 -1.5101 -1.5101 -1.4508 -1.4508 -1.4309 -1.4309 -1.3145 -1.3145 -1.1372 -1.1372 -1.0914 -1.0914 -0.9968 -0.9968 -0.9281 -0.9281 -0.7493 -0.7493 -0.7317 -0.7317 -0.2281 -0.2281 0.0053 0.0053 0.0413 0.0413 0.0923 0.0923 0.1105 0.1105 0.1459 0.1459 0.5422 0.5422 0.6434 0.6434 0.7727 0.7727 0.7843 0.7843 2.7657 2.7657 2.9199 2.9199 5.8844 5.8844 5.9904 5.9904 6.2266 6.2266 6.3425 6.3425 7.7322 7.7322 7.8973 7.8973 k = 0.0000 0.2494-0.0000 ( 11883 PWs) bands (ev): -15.6661 -15.6661 -15.6073 -15.6073 -13.6566 -13.6566 -13.6284 -13.6284 -13.5830 -13.5830 -13.5700 -13.5700 -12.8451 -12.8451 -12.8082 -12.8082 -12.4647 -12.4647 -12.3766 -12.3766 -8.5379 -8.5379 -8.3801 -8.3801 -4.3990 -4.3990 -4.2820 -4.2820 -4.0918 -4.0918 -4.0175 -4.0175 -3.5957 -3.5957 -3.5377 -3.5377 -1.7574 -1.7574 -1.5252 -1.5252 -1.5105 -1.5105 -1.4548 -1.4548 -1.4184 -1.4184 -1.3108 -1.3108 -1.1454 -1.1454 -1.0945 -1.0945 -1.0075 -1.0075 -0.9293 -0.9293 -0.7384 -0.7384 -0.7207 -0.7207 -0.2564 -0.2564 0.0146 0.0146 0.0475 0.0475 0.0999 0.0999 0.1185 0.1185 0.1550 0.1550 0.5441 0.5441 0.6515 0.6515 0.7680 0.7680 0.7821 0.7821 2.7329 2.7329 2.9003 2.9003 5.8865 5.8865 6.0021 6.0021 6.2042 6.2042 6.3366 6.3366 7.7213 7.7213 7.9003 7.9003 k = 0.0000 0.2302-0.0000 ( 11877 PWs) bands (ev): -15.6695 -15.6695 -15.6061 -15.6061 -13.6532 -13.6532 -13.6237 -13.6237 -13.5836 -13.5836 -13.5690 -13.5690 -12.8466 -12.8466 -12.8067 -12.8067 -12.4704 -12.4704 -12.3746 -12.3746 -8.5508 -8.5508 -8.3803 -8.3803 -4.4030 -4.4030 -4.2923 -4.2923 -4.0693 -4.0693 -4.0055 -4.0055 -3.5983 -3.5983 -3.5356 -3.5356 -1.7603 -1.7603 -1.5246 -1.5246 -1.5086 -1.5086 -1.4588 -1.4588 -1.4023 -1.4023 -1.3084 -1.3084 -1.1559 -1.1559 -1.0981 -1.0981 -1.0166 -1.0166 -0.9322 -0.9322 -0.7260 -0.7260 -0.7069 -0.7069 -0.2848 -0.2848 0.0226 0.0226 0.0518 0.0518 0.1093 0.1093 0.1278 0.1278 0.1638 0.1638 0.5469 0.5469 0.6593 0.6593 0.7629 0.7629 0.7799 0.7799 2.6995 2.6995 2.8792 2.8792 5.8879 5.8879 6.0108 6.0108 6.1840 6.1840 6.3326 6.3326 7.7109 7.7109 7.9026 7.9026 k = 0.0000 0.2110-0.0000 ( 11885 PWs) bands (ev): -15.6727 -15.6727 -15.6050 -15.6050 -13.6495 -13.6495 -13.6193 -13.6193 -13.5843 -13.5843 -13.5679 -13.5679 -12.8480 -12.8480 -12.8053 -12.8053 -12.4760 -12.4760 -12.3729 -12.3729 -8.5634 -8.5634 -8.3809 -8.3809 -4.4062 -4.4062 -4.3019 -4.3019 -4.0475 -4.0475 -3.9939 -3.9939 -3.6007 -3.6007 -3.5336 -3.5336 -1.7622 -1.7622 -1.5251 -1.5251 -1.5069 -1.5069 -1.4627 -1.4627 -1.3837 -1.3837 -1.3071 -1.3071 -1.1687 -1.1687 -1.1018 -1.1018 -1.0241 -1.0241 -0.9373 -0.9373 -0.7120 -0.7120 -0.6912 -0.6912 -0.3132 -0.3132 0.0290 0.0290 0.0544 0.0544 0.1199 0.1199 0.1382 0.1382 0.1723 0.1723 0.5505 0.5505 0.6664 0.6664 0.7574 0.7574 0.7777 0.7777 2.6661 2.6661 2.8570 2.8570 5.8886 5.8886 6.0150 6.0150 6.1679 6.1679 6.3307 6.3307 7.7010 7.7010 7.9043 7.9043 k = 0.0000 0.1918-0.0000 ( 11889 PWs) bands (ev): -15.6758 -15.6758 -15.6040 -15.6040 -13.6457 -13.6457 -13.6152 -13.6152 -13.5849 -13.5849 -13.5667 -13.5667 -12.8493 -12.8493 -12.8040 -12.8040 -12.4813 -12.4813 -12.3715 -12.3715 -8.5754 -8.5754 -8.3819 -8.3819 -4.4088 -4.4088 -4.3109 -4.3109 -4.0269 -4.0269 -3.9827 -3.9827 -3.6030 -3.6030 -3.5318 -3.5318 -1.7633 -1.7633 -1.5255 -1.5255 -1.5060 -1.5060 -1.4662 -1.4662 -1.3638 -1.3638 -1.3068 -1.3068 -1.1834 -1.1834 -1.1048 -1.1048 -1.0302 -1.0302 -0.9442 -0.9442 -0.6962 -0.6962 -0.6743 -0.6743 -0.3414 -0.3414 0.0339 0.0339 0.0556 0.0556 0.1311 0.1311 0.1492 0.1492 0.1809 0.1809 0.5549 0.5549 0.6729 0.6729 0.7518 0.7518 0.7756 0.7756 2.6330 2.6330 2.8343 2.8343 5.8884 5.8884 6.0133 6.0133 6.1573 6.1573 6.3310 6.3310 7.6917 7.6917 7.9053 7.9053 k = 0.0000 0.1727-0.0000 ( 11897 PWs) bands (ev): -15.6787 -15.6787 -15.6032 -15.6032 -13.6419 -13.6419 -13.6115 -13.6115 -13.5854 -13.5854 -13.5654 -13.5654 -12.8505 -12.8505 -12.8028 -12.8028 -12.4863 -12.4863 -12.3702 -12.3702 -8.5868 -8.5868 -8.3832 -8.3832 -4.4108 -4.4108 -4.3192 -4.3192 -4.0079 -4.0079 -3.9716 -3.9716 -3.6051 -3.6051 -3.5301 -3.5301 -1.7637 -1.7637 -1.5256 -1.5256 -1.5059 -1.5059 -1.4690 -1.4690 -1.3440 -1.3440 -1.3069 -1.3069 -1.1996 -1.1996 -1.1068 -1.1068 -1.0350 -1.0350 -0.9528 -0.9528 -0.6794 -0.6794 -0.6569 -0.6569 -0.3689 -0.3689 0.0375 0.0375 0.0559 0.0559 0.1422 0.1422 0.1601 0.1601 0.1899 0.1899 0.5599 0.5599 0.6783 0.6783 0.7463 0.7463 0.7734 0.7734 2.6008 2.6008 2.8115 2.8115 5.8874 5.8874 6.0053 6.0053 6.1527 6.1527 6.3334 6.3334 7.6830 7.6830 7.9056 7.9056 k = 0.0000 0.1535-0.0000 ( 11899 PWs) bands (ev): -15.6814 -15.6814 -15.6026 -15.6026 -13.6380 -13.6380 -13.6084 -13.6084 -13.5859 -13.5859 -13.5639 -13.5639 -12.8516 -12.8516 -12.8017 -12.8017 -12.4910 -12.4910 -12.3691 -12.3691 -8.5974 -8.5974 -8.3846 -8.3846 -4.4123 -4.4123 -4.3268 -4.3268 -3.9911 -3.9911 -3.9603 -3.9603 -3.6070 -3.6070 -3.5286 -3.5286 -1.7635 -1.7635 -1.5256 -1.5256 -1.5062 -1.5062 -1.4706 -1.4706 -1.3274 -1.3274 -1.3049 -1.3049 -1.2165 -1.2165 -1.1076 -1.1076 -1.0389 -1.0389 -0.9626 -0.9626 -0.6622 -0.6622 -0.6393 -0.6393 -0.3955 -0.3955 0.0400 0.0400 0.0555 0.0555 0.1527 0.1527 0.1697 0.1697 0.1998 0.1998 0.5656 0.5656 0.6825 0.6825 0.7412 0.7412 0.7713 0.7713 2.5701 2.5701 2.7893 2.7893 5.8858 5.8858 5.9926 5.9926 6.1529 6.1529 6.3376 6.3376 7.6751 7.6751 7.9040 7.9040 k = 0.0000 0.1343-0.0000 ( 11901 PWs) bands (ev): -15.6838 -15.6838 -15.6020 -15.6020 -13.6342 -13.6342 -13.6059 -13.6059 -13.5862 -13.5862 -13.5624 -13.5624 -12.8526 -12.8526 -12.8007 -12.8007 -12.4954 -12.4954 -12.3681 -12.3681 -8.6070 -8.6070 -8.3860 -8.3860 -4.4134 -4.4134 -4.3336 -4.3336 -3.9772 -3.9772 -3.9487 -3.9487 -3.6087 -3.6087 -3.5273 -3.5273 -1.7628 -1.7628 -1.5259 -1.5259 -1.5066 -1.5066 -1.4706 -1.4706 -1.3212 -1.3212 -1.2945 -1.2945 -1.2330 -1.2330 -1.1071 -1.1071 -1.0420 -1.0420 -0.9732 -0.9732 -0.6452 -0.6452 -0.6223 -0.6223 -0.4207 -0.4207 0.0417 0.0417 0.0546 0.0546 0.1625 0.1625 0.1777 0.1777 0.2105 0.2105 0.5717 0.5717 0.6851 0.6851 0.7369 0.7369 0.7693 0.7693 2.5413 2.5413 2.7682 2.7682 5.8838 5.8838 5.9772 5.9772 6.1561 6.1561 6.3432 6.3432 7.6680 7.6680 7.8730 7.8730 k = 0.0000 0.1151-0.0000 ( 11903 PWs) bands (ev): -15.6859 -15.6859 -15.6016 -15.6016 -13.6306 -13.6306 -13.6041 -13.6041 -13.5864 -13.5864 -13.5609 -13.5609 -12.8534 -12.8534 -12.7998 -12.7998 -12.4992 -12.4992 -12.3674 -12.3674 -8.6157 -8.6157 -8.3875 -8.3875 -4.4142 -4.4142 -4.3396 -4.3396 -3.9663 -3.9663 -3.9368 -3.9368 -3.6102 -3.6102 -3.5261 -3.5261 -1.7619 -1.7619 -1.5267 -1.5267 -1.5072 -1.5072 -1.4687 -1.4687 -1.3226 -1.3226 -1.2810 -1.2810 -1.2465 -1.2465 -1.1054 -1.1054 -1.0444 -1.0444 -0.9843 -0.9843 -0.6290 -0.6290 -0.6063 -0.6063 -0.4441 -0.4441 0.0427 0.0427 0.0533 0.0533 0.1712 0.1712 0.1841 0.1841 0.2216 0.2216 0.5782 0.5782 0.6856 0.6856 0.7340 0.7340 0.7673 0.7673 2.5150 2.5150 2.7486 2.7486 5.8819 5.8819 5.9609 5.9609 6.1606 6.1606 6.3495 6.3495 7.6617 7.6617 7.8383 7.8383 k = 0.0000 0.0959-0.0000 ( 11897 PWs) bands (ev): -15.6877 -15.6877 -15.6012 -15.6012 -13.6272 -13.6272 -13.6030 -13.6030 -13.5865 -13.5865 -13.5594 -13.5594 -12.8541 -12.8541 -12.7991 -12.7991 -12.5026 -12.5026 -12.3667 -12.3667 -8.6231 -8.6231 -8.3889 -8.3889 -4.4148 -4.4148 -4.3448 -4.3448 -3.9579 -3.9579 -3.9254 -3.9254 -3.6115 -3.6115 -3.5251 -3.5251 -1.7607 -1.7607 -1.5280 -1.5280 -1.5078 -1.5078 -1.4648 -1.4648 -1.3264 -1.3264 -1.2794 -1.2794 -1.2472 -1.2472 -1.1025 -1.1025 -1.0461 -1.0461 -0.9955 -0.9955 -0.6144 -0.6144 -0.5918 -0.5918 -0.4652 -0.4652 0.0433 0.0433 0.0520 0.0520 0.1788 0.1788 0.1890 0.1890 0.2322 0.2322 0.5849 0.5849 0.6840 0.6840 0.7327 0.7327 0.7655 0.7655 2.4917 2.4917 2.7311 2.7311 5.8803 5.8803 5.9451 5.9451 6.1655 6.1655 6.3560 6.3560 7.6564 7.6564 7.8085 7.8085 k = 0.0000 0.0767-0.0000 ( 11919 PWs) bands (ev): -15.6893 -15.6893 -15.6009 -15.6009 -13.6241 -13.6241 -13.6025 -13.6025 -13.5863 -13.5863 -13.5581 -13.5581 -12.8547 -12.8547 -12.7985 -12.7985 -12.5055 -12.5055 -12.3662 -12.3662 -8.6294 -8.6294 -8.3901 -8.3901 -4.4151 -4.4151 -4.3491 -4.3491 -3.9515 -3.9515 -3.9152 -3.9152 -3.6125 -3.6125 -3.5243 -3.5243 -1.7595 -1.7595 -1.5296 -1.5296 -1.5085 -1.5085 -1.4593 -1.4593 -1.3313 -1.3313 -1.2895 -1.2895 -1.2360 -1.2360 -1.0988 -1.0988 -1.0472 -1.0472 -1.0065 -1.0065 -0.6018 -0.6018 -0.5792 -0.5792 -0.4834 -0.4834 0.0435 0.0435 0.0508 0.0508 0.1852 0.1852 0.1927 0.1927 0.2417 0.2417 0.5915 0.5915 0.6806 0.6806 0.7327 0.7327 0.7637 0.7637 2.4720 2.4720 2.7161 2.7161 5.8794 5.8794 5.9305 5.9305 6.1700 6.1700 6.3622 6.3622 7.6519 7.6519 7.7840 7.7840 k = 0.0000 0.0576-0.0000 ( 11921 PWs) bands (ev): -15.6905 -15.6905 -15.6007 -15.6007 -13.6215 -13.6215 -13.6025 -13.6025 -13.5861 -13.5861 -13.5569 -13.5569 -12.8552 -12.8552 -12.7980 -12.7980 -12.5077 -12.5077 -12.3659 -12.3659 -8.6343 -8.6343 -8.3911 -8.3911 -4.4153 -4.4153 -4.3525 -4.3525 -3.9467 -3.9467 -3.9068 -3.9068 -3.6133 -3.6133 -3.5237 -3.5237 -1.7583 -1.7583 -1.5313 -1.5313 -1.5091 -1.5091 -1.4528 -1.4528 -1.3372 -1.3372 -1.3001 -1.3001 -1.2241 -1.2241 -1.0945 -1.0945 -1.0476 -1.0476 -1.0169 -1.0169 -0.5918 -0.5918 -0.5690 -0.5690 -0.4982 -0.4982 0.0434 0.0434 0.0498 0.0498 0.1902 0.1902 0.1955 0.1955 0.2496 0.2496 0.5977 0.5977 0.6763 0.6763 0.7335 0.7335 0.7622 0.7622 2.4561 2.4561 2.7040 2.7040 5.8795 5.8795 5.9175 5.9175 6.1739 6.1739 6.3675 6.3675 7.6484 7.6484 7.7648 7.7648 k = 0.0000 0.0384-0.0000 ( 11913 PWs) bands (ev): -15.6913 -15.6913 -15.6006 -15.6006 -13.6194 -13.6194 -13.6027 -13.6027 -13.5859 -13.5859 -13.5561 -13.5561 -12.8556 -12.8556 -12.7977 -12.7977 -12.5094 -12.5094 -12.3656 -12.3656 -8.6379 -8.6379 -8.3918 -8.3918 -4.4154 -4.4154 -4.3549 -4.3549 -3.9434 -3.9434 -3.9006 -3.9006 -3.6139 -3.6139 -3.5233 -3.5233 -1.7574 -1.7574 -1.5327 -1.5327 -1.5095 -1.5095 -1.4464 -1.4464 -1.3435 -1.3435 -1.3078 -1.3078 -1.2148 -1.2148 -1.0904 -1.0904 -1.0469 -1.0469 -1.0264 -1.0264 -0.5845 -0.5845 -0.5614 -0.5614 -0.5089 -0.5089 0.0431 0.0431 0.0492 0.0492 0.1939 0.1939 0.1975 0.1975 0.2555 0.2555 0.6030 0.6030 0.6720 0.6720 0.7345 0.7345 0.7610 0.7610 2.4445 2.4445 2.6951 2.6951 5.8808 5.8808 5.9067 5.9067 6.1768 6.1768 6.3716 6.3716 7.6459 7.6459 7.7511 7.7511 k = 0.0000 0.0192-0.0000 ( 11923 PWs) bands (ev): -15.6919 -15.6919 -15.6005 -15.6005 -13.6180 -13.6180 -13.6030 -13.6030 -13.5858 -13.5858 -13.5555 -13.5555 -12.8558 -12.8558 -12.7975 -12.7975 -12.5104 -12.5104 -12.3654 -12.3654 -8.6401 -8.6401 -8.3923 -8.3923 -4.4154 -4.4154 -4.3564 -4.3564 -3.9415 -3.9415 -3.8968 -3.8968 -3.6142 -3.6142 -3.5230 -3.5230 -1.7568 -1.7568 -1.5336 -1.5336 -1.5098 -1.5098 -1.4415 -1.4415 -1.3488 -1.3488 -1.3121 -1.3121 -1.2089 -1.2089 -1.0873 -1.0873 -1.0448 -1.0448 -1.0345 -1.0345 -0.5803 -0.5803 -0.5568 -0.5568 -0.5154 -0.5154 0.0428 0.0428 0.0488 0.0488 0.1961 0.1961 0.1986 0.1986 0.2591 0.2591 0.6067 0.6067 0.6688 0.6688 0.7353 0.7353 0.7602 0.7602 2.4374 2.4374 2.6897 2.6897 5.8833 5.8833 5.8983 5.8983 6.1786 6.1786 6.3741 6.3741 7.6444 7.6444 7.7428 7.7428 k = 0.0000 0.0000 0.0000 ( 11923 PWs) bands (ev): -15.6920 -15.6920 -15.6005 -15.6005 -13.6175 -13.6175 -13.6031 -13.6031 -13.5857 -13.5857 -13.5553 -13.5553 -12.8558 -12.8558 -12.7974 -12.7974 -12.5107 -12.5107 -12.3654 -12.3654 -8.6408 -8.6408 -8.3924 -8.3924 -4.4154 -4.4154 -4.3569 -4.3569 -3.9409 -3.9409 -3.8955 -3.8955 -3.6143 -3.6143 -3.5229 -3.5229 -1.7566 -1.7566 -1.5339 -1.5339 -1.5100 -1.5100 -1.4396 -1.4396 -1.3509 -1.3509 -1.3135 -1.3135 -1.2068 -1.2068 -1.0861 -1.0861 -1.0413 -1.0413 -1.0401 -1.0401 -0.5789 -0.5789 -0.5552 -0.5552 -0.5175 -0.5175 0.0427 0.0427 0.0487 0.0487 0.1969 0.1969 0.1990 0.1990 0.2603 0.2603 0.6080 0.6080 0.6677 0.6677 0.7356 0.7356 0.7599 0.7599 2.4351 2.4351 2.6879 2.6879 5.8853 5.8853 5.8943 5.8943 6.1792 6.1792 6.3750 6.3750 7.6439 7.6439 7.7401 7.7401 k = 0.0000 0.0000 0.0000 ( 11923 PWs) bands (ev): -15.6920 -15.6920 -15.6005 -15.6005 -13.6175 -13.6175 -13.6031 -13.6031 -13.5857 -13.5857 -13.5553 -13.5553 -12.8558 -12.8558 -12.7974 -12.7974 -12.5107 -12.5107 -12.3654 -12.3654 -8.6408 -8.6408 -8.3924 -8.3924 -4.4154 -4.4154 -4.3569 -4.3569 -3.9409 -3.9409 -3.8955 -3.8955 -3.6143 -3.6143 -3.5229 -3.5229 -1.7566 -1.7566 -1.5339 -1.5339 -1.5100 -1.5100 -1.4396 -1.4396 -1.3509 -1.3509 -1.3135 -1.3135 -1.2068 -1.2068 -1.0861 -1.0861 -1.0413 -1.0413 -1.0401 -1.0401 -0.5789 -0.5789 -0.5552 -0.5552 -0.5175 -0.5175 0.0427 0.0427 0.0487 0.0487 0.1969 0.1969 0.1990 0.1990 0.2603 0.2603 0.6080 0.6080 0.6677 0.6677 0.7356 0.7356 0.7599 0.7599 2.4351 2.4351 2.6879 2.6879 5.8853 5.8853 5.8943 5.8943 6.1792 6.1792 6.3750 6.3750 7.6439 7.6439 7.7401 7.7401 k = 0.0000 0.0000 0.0195 ( 11917 PWs) bands (ev): -15.6918 -15.6918 -15.6005 -15.6005 -13.6175 -13.6175 -13.6031 -13.6031 -13.5857 -13.5857 -13.5554 -13.5554 -12.8572 -12.8572 -12.7986 -12.7986 -12.5091 -12.5091 -12.3645 -12.3645 -8.6397 -8.6397 -8.3920 -8.3920 -4.4154 -4.4154 -4.3570 -4.3570 -3.9408 -3.9408 -3.8956 -3.8956 -3.6184 -3.6184 -3.5277 -3.5277 -1.7570 -1.7570 -1.5357 -1.5357 -1.5130 -1.5130 -1.4335 -1.4335 -1.3528 -1.3528 -1.3140 -1.3140 -1.2002 -1.2002 -1.0849 -1.0849 -1.0400 -1.0400 -1.0371 -1.0371 -0.5788 -0.5788 -0.5553 -0.5553 -0.5166 -0.5166 0.0423 0.0423 0.0494 0.0494 0.1962 0.1962 0.1986 0.1986 0.2601 0.2601 0.6076 0.6076 0.6673 0.6673 0.7351 0.7351 0.7590 0.7590 2.4377 2.4377 2.6899 2.6899 5.8855 5.8855 5.8946 5.8946 6.1797 6.1797 6.3750 6.3750 7.6359 7.6359 7.7424 7.7424 k = 0.0000 0.0000 0.0390 ( 11903 PWs) bands (ev): -15.6913 -15.6913 -15.6007 -15.6007 -13.6174 -13.6174 -13.6031 -13.6031 -13.5856 -13.5856 -13.5555 -13.5555 -12.8613 -12.8613 -12.8023 -12.8023 -12.5044 -12.5044 -12.3621 -12.3621 -8.6365 -8.6365 -8.3909 -8.3909 -4.4152 -4.4152 -4.3573 -4.3573 -3.9406 -3.9406 -3.8958 -3.8958 -3.6304 -3.6304 -3.5420 -3.5420 -1.7581 -1.7581 -1.5407 -1.5407 -1.5208 -1.5208 -1.4166 -1.4166 -1.3629 -1.3629 -1.3082 -1.3082 -1.1834 -1.1834 -1.0814 -1.0814 -1.0360 -1.0360 -1.0282 -1.0282 -0.5784 -0.5784 -0.5556 -0.5556 -0.5140 -0.5140 0.0412 0.0412 0.0513 0.0513 0.1932 0.1932 0.1986 0.1986 0.2596 0.2596 0.6064 0.6064 0.6664 0.6664 0.7336 0.7336 0.7563 0.7563 2.4456 2.4456 2.6958 2.6958 5.8863 5.8863 5.8956 5.8956 6.1812 6.1812 6.3749 6.3749 7.6122 7.6122 7.7493 7.7493 k = 0.0000 0.0000 0.0586 ( 11897 PWs) bands (ev): -15.6904 -15.6904 -15.6011 -15.6011 -13.6173 -13.6173 -13.6032 -13.6032 -13.5854 -13.5854 -13.5557 -13.5557 -12.8678 -12.8678 -12.8081 -12.8081 -12.4969 -12.4969 -12.3581 -12.3581 -8.6313 -8.6313 -8.3889 -8.3889 -4.4149 -4.4149 -4.3579 -4.3579 -3.9402 -3.9402 -3.8962 -3.8962 -3.6498 -3.6498 -3.5651 -3.5651 -1.7598 -1.7598 -1.5485 -1.5485 -1.5311 -1.5311 -1.3925 -1.3925 -1.3803 -1.3803 -1.2924 -1.2924 -1.1612 -1.1612 -1.0757 -1.0757 -1.0295 -1.0295 -1.0136 -1.0136 -0.5780 -0.5780 -0.5561 -0.5561 -0.5096 -0.5096 0.0397 0.0397 0.0541 0.0541 0.1877 0.1877 0.1992 0.1992 0.2588 0.2588 0.6044 0.6044 0.6648 0.6648 0.7310 0.7310 0.7519 0.7519 2.4588 2.4588 2.7056 2.7056 5.8875 5.8875 5.8971 5.8971 6.1836 6.1836 6.3747 6.3747 7.5735 7.5735 7.7595 7.7595 k = 0.0000 0.0000 0.0781 ( 11893 PWs) bands (ev): -15.6891 -15.6891 -15.6015 -15.6015 -13.6171 -13.6171 -13.6033 -13.6033 -13.5852 -13.5852 -13.5560 -13.5560 -12.8763 -12.8763 -12.8160 -12.8160 -12.4871 -12.4871 -12.3529 -12.3529 -8.6240 -8.6240 -8.3863 -8.3863 -4.4146 -4.4146 -4.3586 -4.3586 -3.9397 -3.9397 -3.8968 -3.8968 -3.6758 -3.6758 -3.5959 -3.5959 -1.7621 -1.7621 -1.5584 -1.5584 -1.5427 -1.5427 -1.4061 -1.4061 -1.3571 -1.3571 -1.2699 -1.2699 -1.1367 -1.1367 -1.0680 -1.0680 -1.0206 -1.0206 -0.9934 -0.9934 -0.5774 -0.5774 -0.5568 -0.5568 -0.5036 -0.5036 0.0374 0.0374 0.0576 0.0576 0.1801 0.1801 0.2001 0.2001 0.2581 0.2581 0.6017 0.6017 0.6625 0.6625 0.7275 0.7275 0.7458 0.7458 2.4770 2.4770 2.7192 2.7192 5.8892 5.8892 5.8992 5.8992 6.1870 6.1870 6.3744 6.3744 7.5211 7.5211 7.7548 7.7548 k = 0.0000 0.0000 0.0976 ( 11897 PWs) bands (ev): -15.6875 -15.6875 -15.6021 -15.6021 -13.6169 -13.6169 -13.6034 -13.6034 -13.5849 -13.5849 -13.5564 -13.5564 -12.8862 -12.8862 -12.8256 -12.8256 -12.4754 -12.4754 -12.3466 -12.3466 -8.6148 -8.6148 -8.3831 -8.3831 -4.4141 -4.4141 -4.3596 -4.3596 -3.9392 -3.9392 -3.8976 -3.8976 -3.7075 -3.7075 -3.6331 -3.6331 -1.7648 -1.7648 -1.5700 -1.5700 -1.5549 -1.5549 -1.4308 -1.4308 -1.3186 -1.3186 -1.2433 -1.2433 -1.1112 -1.1112 -1.0584 -1.0584 -1.0097 -1.0097 -0.9680 -0.9680 -0.5767 -0.5767 -0.5576 -0.5576 -0.4959 -0.4959 0.0338 0.0338 0.0619 0.0619 0.1710 0.1710 0.2013 0.2013 0.2574 0.2574 0.5983 0.5983 0.6596 0.6596 0.7231 0.7231 0.7384 0.7384 2.5001 2.5001 2.7365 2.7365 5.8913 5.8913 5.9018 5.9018 6.1913 6.1913 6.3740 6.3740 7.4566 7.4566 7.6928 7.6928 k = 0.0000 0.0000 0.1171 ( 11899 PWs) bands (ev): -15.6856 -15.6856 -15.6028 -15.6028 -13.6167 -13.6167 -13.6035 -13.6035 -13.5845 -13.5845 -13.5569 -13.5569 -12.8972 -12.8972 -12.8365 -12.8365 -12.4623 -12.4623 -12.3396 -12.3396 -8.6038 -8.6038 -8.3794 -8.3794 -4.4136 -4.4136 -4.3608 -4.3608 -3.9386 -3.9386 -3.8989 -3.8989 -3.7434 -3.7434 -3.6754 -3.6754 -1.7679 -1.7679 -1.5827 -1.5827 -1.5674 -1.5674 -1.4563 -1.4563 -1.2756 -1.2756 -1.2142 -1.2142 -1.0856 -1.0856 -1.0473 -1.0473 -0.9970 -0.9970 -0.9378 -0.9378 -0.5760 -0.5760 -0.5586 -0.5586 -0.4869 -0.4869 0.0283 0.0283 0.0669 0.0669 0.1610 0.1610 0.2029 0.2029 0.2569 0.2569 0.5943 0.5943 0.6560 0.6560 0.7179 0.7179 0.7296 0.7296 2.5279 2.5279 2.7574 2.7574 5.8938 5.8938 5.9048 5.9048 6.1964 6.1964 6.3734 6.3734 7.3817 7.3817 7.6119 7.6119 k = 0.0000 0.0000 0.1366 ( 11913 PWs) bands (ev): -15.6834 -15.6834 -15.6037 -15.6037 -13.6164 -13.6164 -13.6037 -13.6037 -13.5841 -13.5841 -13.5575 -13.5575 -12.9087 -12.9087 -12.8486 -12.8486 -12.4482 -12.4482 -12.3322 -12.3322 -8.5913 -8.5913 -8.3753 -8.3753 -4.4130 -4.4130 -4.3622 -4.3622 -3.9380 -3.9380 -3.9009 -3.9009 -3.7823 -3.7823 -3.7213 -3.7213 -1.7711 -1.7711 -1.5959 -1.5959 -1.5802 -1.5802 -1.4817 -1.4817 -1.2305 -1.2305 -1.1833 -1.1833 -1.0606 -1.0606 -1.0347 -1.0347 -0.9825 -0.9825 -0.9033 -0.9033 -0.5754 -0.5754 -0.5597 -0.5597 -0.4765 -0.4765 0.0199 0.0199 0.0724 0.0724 0.1513 0.1513 0.2047 0.2047 0.2566 0.2566 0.5897 0.5897 0.6517 0.6517 0.7119 0.7119 0.7200 0.7200 2.5601 2.5601 2.7816 2.7816 5.8966 5.8966 5.9081 5.9081 6.2023 6.2023 6.3726 6.3726 7.2985 7.2985 7.5208 7.5208 k = 0.0000 0.0000 0.1561 ( 11899 PWs) bands (ev): -15.6809 -15.6809 -15.6048 -15.6048 -13.6161 -13.6161 -13.6039 -13.6039 -13.5835 -13.5835 -13.5581 -13.5581 -12.9204 -12.9204 -12.8614 -12.8614 -12.4335 -12.4335 -12.3246 -12.3246 -8.5773 -8.5773 -8.3710 -8.3710 -4.4124 -4.4124 -4.3639 -4.3639 -3.9377 -3.9377 -3.9046 -3.9046 -3.8219 -3.8219 -3.7693 -3.7693 -1.7742 -1.7742 -1.6093 -1.6093 -1.5930 -1.5930 -1.5067 -1.5067 -1.1866 -1.1866 -1.1495 -1.1495 -1.0369 -1.0369 -1.0205 -1.0205 -0.9662 -0.9662 -0.8651 -0.8651 -0.5748 -0.5748 -0.5608 -0.5608 -0.4652 -0.4652 0.0077 0.0077 0.0785 0.0785 0.1430 0.1430 0.2068 0.2068 0.2566 0.2566 0.5847 0.5847 0.6466 0.6466 0.7050 0.7050 0.7099 0.7099 2.5963 2.5963 2.8088 2.8088 5.8997 5.8997 5.9117 5.9117 6.2089 6.2089 6.3715 6.3715 7.2090 7.2090 7.4221 7.4221 k = 0.0000 0.0000 0.1757 ( 11887 PWs) bands (ev): -15.6781 -15.6781 -15.6060 -15.6060 -13.6157 -13.6157 -13.6042 -13.6042 -13.5829 -13.5829 -13.5588 -13.5588 -12.9320 -12.9320 -12.8747 -12.8747 -12.4186 -12.4186 -12.3171 -12.3171 -8.5621 -8.5621 -8.3667 -8.3667 -4.4118 -4.4118 -4.3658 -4.3658 -3.9380 -3.9380 -3.9135 -3.9135 -3.8576 -3.8576 -3.8176 -3.8176 -1.7772 -1.7772 -1.6225 -1.6225 -1.6058 -1.6058 -1.5310 -1.5310 -1.1485 -1.1485 -1.1108 -1.1108 -1.0157 -1.0157 -1.0041 -1.0041 -0.9478 -0.9478 -0.8241 -0.8241 -0.5743 -0.5743 -0.5620 -0.5620 -0.4531 -0.4531 -0.0090 -0.0090 0.0850 0.0850 0.1368 0.1368 0.2093 0.2093 0.2566 0.2566 0.5793 0.5793 0.6407 0.6407 0.6968 0.6968 0.7004 0.7004 2.6362 2.6362 2.8387 2.8387 5.9030 5.9030 5.9155 5.9155 6.2161 6.2161 6.3700 6.3700 7.1153 7.1153 7.3183 7.3183 k = 0.0000 0.0000 0.1952 ( 11889 PWs) bands (ev): -15.6751 -15.6751 -15.6074 -15.6074 -13.6153 -13.6153 -13.6045 -13.6045 -13.5822 -13.5822 -13.5596 -13.5596 -12.9432 -12.9432 -12.8882 -12.8882 -12.4036 -12.4036 -12.3099 -12.3099 -8.5460 -8.5460 -8.3625 -8.3625 -4.4113 -4.4113 -4.3681 -4.3681 -3.9409 -3.9409 -3.9356 -3.9356 -3.8800 -3.8800 -3.8634 -3.8634 -1.7798 -1.7798 -1.6354 -1.6354 -1.6182 -1.6182 -1.5544 -1.5544 -1.1170 -1.1170 -1.0689 -1.0689 -0.9977 -0.9977 -0.9853 -0.9853 -0.9263 -0.9263 -0.7814 -0.7814 -0.5739 -0.5739 -0.5630 -0.5630 -0.4405 -0.4405 -0.0301 -0.0301 0.0918 0.0918 0.1330 0.1330 0.2121 0.2121 0.2568 0.2568 0.5737 0.5737 0.6337 0.6337 0.6869 0.6869 0.6923 0.6923 2.6792 2.6792 2.8708 2.8708 5.9064 5.9064 5.9194 5.9194 6.2239 6.2239 6.3679 6.3679 7.0194 7.0194 7.2113 7.2113 k = 0.0000 0.0000 0.2147 ( 11887 PWs) bands (ev): -15.6719 -15.6719 -15.6090 -15.6090 -13.6149 -13.6149 -13.6048 -13.6048 -13.5815 -13.5815 -13.5605 -13.5605 -12.9537 -12.9537 -12.9016 -12.9016 -12.3890 -12.3890 -12.3032 -12.3032 -8.5291 -8.5291 -8.3585 -8.3585 -4.4107 -4.4107 -4.3707 -4.3707 -3.9713 -3.9713 -3.9512 -3.9512 -3.9001 -3.9001 -3.8885 -3.8885 -1.7819 -1.7819 -1.6478 -1.6478 -1.6303 -1.6303 -1.5768 -1.5768 -1.0898 -1.0898 -1.0295 -1.0295 -0.9811 -0.9811 -0.9662 -0.9662 -0.9000 -0.9000 -0.7380 -0.7380 -0.5737 -0.5737 -0.5639 -0.5639 -0.4279 -0.4279 -0.0554 -0.0554 0.0986 0.0986 0.1313 0.1313 0.2151 0.2151 0.2570 0.2570 0.5681 0.5681 0.6258 0.6258 0.6770 0.6770 0.6846 0.6846 2.7247 2.7247 2.9044 2.9044 5.9097 5.9097 5.9232 5.9232 6.2320 6.2320 6.3653 6.3653 6.9235 6.9235 7.1032 7.1032 k = 0.0000 0.0000 0.2342 ( 11897 PWs) bands (ev): -15.6685 -15.6685 -15.6108 -15.6108 -13.6145 -13.6145 -13.6051 -13.6051 -13.5807 -13.5807 -13.5614 -13.5614 -12.9633 -12.9633 -12.9147 -12.9147 -12.3748 -12.3748 -12.2971 -12.2971 -8.5117 -8.5117 -8.3551 -8.3551 -4.4103 -4.4103 -4.3736 -4.3736 -4.0096 -4.0096 -3.9809 -3.9809 -3.9155 -3.9155 -3.8926 -3.8926 -1.7834 -1.7834 -1.6596 -1.6596 -1.6417 -1.6417 -1.5979 -1.5979 -1.0652 -1.0652 -0.9977 -0.9977 -0.9640 -0.9640 -0.9482 -0.9482 -0.8671 -0.8671 -0.6951 -0.6951 -0.5737 -0.5737 -0.5644 -0.5644 -0.4156 -0.4156 -0.0841 -0.0841 0.1054 0.1054 0.1311 0.1311 0.2184 0.2184 0.2572 0.2572 0.5625 0.5625 0.6169 0.6169 0.6678 0.6678 0.6769 0.6769 2.7720 2.7720 2.9388 2.9388 5.9130 5.9130 5.9269 5.9269 6.2403 6.2403 6.3619 6.3619 6.8298 6.8298 6.9960 6.9960 k = 0.0000 0.0000 0.2537 ( 11913 PWs) bands (ev): -15.6650 -15.6650 -15.6128 -15.6128 -13.6140 -13.6140 -13.6055 -13.6055 -13.5798 -13.5798 -13.5623 -13.5623 -12.9720 -12.9720 -12.9274 -12.9274 -12.3612 -12.3612 -12.2918 -12.2918 -8.4941 -8.4941 -8.3525 -8.3525 -4.4100 -4.4100 -4.3769 -4.3769 -4.0469 -4.0469 -4.0194 -4.0194 -3.9189 -3.9189 -3.8952 -3.8952 -1.7842 -1.7842 -1.6708 -1.6708 -1.6523 -1.6523 -1.6175 -1.6175 -1.0427 -1.0427 -0.9752 -0.9752 -0.9462 -0.9462 -0.9320 -0.9320 -0.8276 -0.8276 -0.6539 -0.6539 -0.5739 -0.5739 -0.5641 -0.5641 -0.4040 -0.4040 -0.1157 -0.1157 0.1119 0.1119 0.1321 0.1321 0.2219 0.2219 0.2574 0.2574 0.5572 0.5572 0.6072 0.6072 0.6596 0.6596 0.6695 0.6695 2.8203 2.8203 2.9732 2.9732 5.9161 5.9161 5.9302 5.9302 6.2488 6.2488 6.3576 6.3576 6.7405 6.7405 6.8919 6.8919 k = 0.0000 0.0000 0.2733 ( 11903 PWs) bands (ev): -15.6613 -15.6613 -15.6149 -15.6149 -13.6135 -13.6135 -13.6060 -13.6060 -13.5789 -13.5789 -13.5634 -13.5634 -12.9795 -12.9795 -12.9393 -12.9393 -12.3484 -12.3484 -12.2874 -12.2874 -8.4766 -8.4766 -8.3507 -8.3507 -4.4098 -4.4098 -4.3805 -4.3805 -4.0815 -4.0815 -4.0575 -4.0575 -3.9192 -3.9192 -3.8972 -3.8972 -1.7840 -1.7840 -1.6815 -1.6815 -1.6620 -1.6620 -1.6353 -1.6353 -1.0221 -1.0221 -0.9595 -0.9595 -0.9291 -0.9291 -0.9174 -0.9174 -0.7835 -0.7835 -0.6167 -0.6167 -0.5743 -0.5743 -0.5618 -0.5618 -0.3935 -0.3935 -0.1494 -0.1494 0.1179 0.1179 0.1337 0.1337 0.2256 0.2256 0.2574 0.2574 0.5523 0.5523 0.5971 0.5971 0.6526 0.6526 0.6624 0.6624 2.8685 2.8685 3.0064 3.0064 5.9190 5.9190 5.9332 5.9332 6.2571 6.2571 6.3519 6.3519 6.6579 6.6579 6.7927 6.7927 k = 0.0000 0.0000 0.2928 ( 11913 PWs) bands (ev): -15.6576 -15.6576 -15.6173 -15.6173 -13.6130 -13.6130 -13.6064 -13.6064 -13.5779 -13.5779 -13.5644 -13.5644 -12.9857 -12.9857 -12.9505 -12.9505 -12.3365 -12.3365 -12.2840 -12.2840 -8.4594 -8.4594 -8.3500 -8.3500 -4.4098 -4.4098 -4.3845 -4.3845 -4.1123 -4.1123 -4.0922 -4.0922 -3.9184 -3.9184 -3.8989 -3.8989 -1.7829 -1.7829 -1.6920 -1.6920 -1.6706 -1.6706 -1.6511 -1.6511 -1.0034 -1.0034 -0.9481 -0.9481 -0.9141 -0.9141 -0.9045 -0.9045 -0.7372 -0.7372 -0.5893 -0.5893 -0.5747 -0.5747 -0.5524 -0.5524 -0.3846 -0.3846 -0.1849 -0.1849 0.1235 0.1235 0.1356 0.1356 0.2294 0.2294 0.2573 0.2573 0.5479 0.5479 0.5869 0.5869 0.6466 0.6466 0.6557 0.6557 2.9157 2.9157 3.0373 3.0373 5.9215 5.9215 5.9355 5.9355 6.2651 6.2651 6.3445 6.3445 6.5845 6.5845 6.7006 6.7006 k = 0.0000 0.0000 0.3123 ( 11907 PWs) bands (ev): -15.6539 -15.6539 -15.6199 -15.6199 -13.6124 -13.6124 -13.6069 -13.6069 -13.5769 -13.5769 -13.5655 -13.5655 -12.9907 -12.9907 -12.9607 -12.9607 -12.3256 -12.3256 -12.2817 -12.2817 -8.4429 -8.4429 -8.3506 -8.3506 -4.4099 -4.4099 -4.3887 -4.3887 -4.1388 -4.1388 -4.1226 -4.1226 -3.9171 -3.9171 -3.9006 -3.9006 -1.7808 -1.7808 -1.7024 -1.7024 -1.6780 -1.6780 -1.6645 -1.6645 -0.9867 -0.9867 -0.9396 -0.9396 -0.9015 -0.9015 -0.8935 -0.8935 -0.6902 -0.6902 -0.5791 -0.5791 -0.5747 -0.5747 -0.5295 -0.5295 -0.3776 -0.3776 -0.2216 -0.2216 0.1283 0.1283 0.1374 0.1374 0.2332 0.2332 0.2569 0.2569 0.5444 0.5444 0.5772 0.5772 0.6416 0.6416 0.6496 0.6496 2.9605 2.9605 3.0646 3.0646 5.9237 5.9237 5.9372 5.9372 6.2724 6.2724 6.3348 6.3348 6.5226 6.5226 6.6177 6.6177 k = 0.0000 0.0000 0.3318 ( 11919 PWs) bands (ev): -15.6501 -15.6501 -15.6226 -15.6226 -13.6119 -13.6119 -13.6074 -13.6074 -13.5758 -13.5758 -13.5666 -13.5666 -12.9942 -12.9942 -12.9698 -12.9698 -12.3157 -12.3157 -12.2805 -12.2805 -8.4272 -8.4272 -8.3527 -8.3527 -4.4099 -4.4099 -4.3930 -4.3930 -4.1606 -4.1606 -4.1480 -4.1480 -3.9157 -3.9157 -3.9022 -3.9022 -1.7775 -1.7775 -1.7130 -1.7130 -1.6842 -1.6842 -1.6752 -1.6752 -0.9720 -0.9720 -0.9337 -0.9337 -0.8911 -0.8911 -0.8844 -0.8844 -0.6442 -0.6442 -0.5772 -0.5772 -0.5738 -0.5738 -0.5032 -0.5032 -0.3730 -0.3730 -0.2589 -0.2589 0.1324 0.1324 0.1391 0.1391 0.2369 0.2369 0.2562 0.2562 0.5418 0.5418 0.5681 0.5681 0.6377 0.6377 0.6443 0.6443 3.0018 3.0018 3.0871 3.0871 5.9256 5.9256 5.9379 5.9379 6.2785 6.2785 6.3227 6.3227 6.4744 6.4744 6.5461 6.5461 k = 0.0000 0.0000 0.3513 ( 11919 PWs) bands (ev): -15.6463 -15.6463 -15.6256 -15.6256 -13.6113 -13.6113 -13.6079 -13.6079 -13.5747 -13.5747 -13.5678 -13.5678 -12.9962 -12.9962 -12.9777 -12.9777 -12.3070 -12.3070 -12.2806 -12.2806 -8.4126 -8.4126 -8.3563 -8.3563 -4.4099 -4.4099 -4.3973 -4.3973 -4.1772 -4.1772 -4.1681 -4.1681 -3.9140 -3.9140 -3.9039 -3.9039 -1.7731 -1.7731 -1.7236 -1.7236 -1.6889 -1.6889 -1.6832 -1.6832 -0.9593 -0.9593 -0.9302 -0.9302 -0.8827 -0.8827 -0.8774 -0.8774 -0.6016 -0.6016 -0.5771 -0.5771 -0.5707 -0.5707 -0.4805 -0.4805 -0.3707 -0.3707 -0.2956 -0.2956 0.1357 0.1357 0.1404 0.1404 0.2405 0.2405 0.2552 0.2552 0.5404 0.5404 0.5601 0.5601 0.6347 0.6347 0.6398 0.6398 3.0383 3.0383 3.1035 3.1035 5.9274 5.9274 5.9378 5.9378 6.2828 6.2828 6.3089 6.3089 6.4406 6.4406 6.4882 6.4882 k = 0.0000 0.0000 0.3709 ( 11925 PWs) bands (ev): -15.6426 -15.6426 -15.6287 -15.6287 -13.6107 -13.6107 -13.6085 -13.6085 -13.5736 -13.5736 -13.5689 -13.5689 -12.9968 -12.9968 -12.9843 -12.9843 -12.2995 -12.2995 -12.2818 -12.2818 -8.3993 -8.3993 -8.3615 -8.3615 -4.4095 -4.4095 -4.4011 -4.4011 -4.1888 -4.1888 -4.1829 -4.1829 -3.9124 -3.9124 -3.9055 -3.9055 -1.7675 -1.7675 -1.7340 -1.7340 -1.6922 -1.6922 -1.6888 -1.6888 -0.9488 -0.9488 -0.9292 -0.9292 -0.8764 -0.8764 -0.8727 -0.8727 -0.5806 -0.5806 -0.5771 -0.5771 -0.5483 -0.5483 -0.4653 -0.4653 -0.3706 -0.3706 -0.3293 -0.3293 0.1382 0.1382 0.1412 0.1412 0.2438 0.2438 0.2537 0.2537 0.5402 0.5402 0.5534 0.5534 0.6329 0.6329 0.6363 0.6363 3.0686 3.0686 3.1128 3.1128 5.9292 5.9292 5.9368 5.9368 6.2846 6.2846 6.2964 6.2964 6.4195 6.4195 6.4458 6.4458 k = 0.0000 0.0000 0.3904 ( 11927 PWs) bands (ev): -15.6390 -15.6390 -15.6320 -15.6320 -13.6102 -13.6102 -13.6090 -13.6090 -13.5724 -13.5724 -13.5701 -13.5701 -12.9959 -12.9959 -12.9896 -12.9896 -12.2932 -12.2932 -12.2843 -12.2843 -8.3874 -8.3874 -8.3685 -8.3685 -4.4085 -4.4085 -4.4044 -4.4044 -4.1951 -4.1951 -4.1922 -4.1922 -3.9106 -3.9106 -3.9072 -3.9072 -1.7607 -1.7607 -1.7438 -1.7438 -1.6938 -1.6938 -1.6923 -1.6923 -0.9405 -0.9405 -0.9306 -0.9306 -0.8722 -0.8722 -0.8703 -0.8703 -0.5782 -0.5782 -0.5773 -0.5773 -0.5112 -0.5112 -0.4633 -0.4633 -0.3712 -0.3712 -0.3552 -0.3552 0.1400 0.1400 0.1415 0.1415 0.2469 0.2469 0.2519 0.2519 0.5414 0.5414 0.5479 0.5479 0.6321 0.6321 0.6338 0.6338 3.0919 3.0919 3.1142 3.1142 5.9311 5.9311 5.9352 5.9352 6.2844 6.2844 6.2879 6.2879 6.4090 6.4090 6.4197 6.4197 k = 0.0000 0.0000 0.4099 ( 11920 PWs) bands (ev): -15.6354 -15.6354 -15.6354 -15.6354 -13.6096 -13.6096 -13.6096 -13.6096 -13.5713 -13.5713 -13.5713 -13.5713 -12.9935 -12.9935 -12.9935 -12.9935 -12.2881 -12.2881 -12.2881 -12.2881 -8.3771 -8.3771 -8.3771 -8.3771 -4.4069 -4.4069 -4.4069 -4.4069 -4.1963 -4.1963 -4.1963 -4.1963 -3.9089 -3.9089 -3.9089 -3.9089 -1.7528 -1.7528 -1.7528 -1.7528 -1.6939 -1.6939 -1.6939 -1.6939 -0.9344 -0.9344 -0.9344 -0.9344 -0.8701 -0.8701 -0.8701 -0.8701 -0.5776 -0.5776 -0.5776 -0.5776 -0.4799 -0.4799 -0.4799 -0.4799 -0.3682 -0.3682 -0.3682 -0.3682 0.1411 0.1411 0.1411 0.1411 0.2496 0.2496 0.2496 0.2496 0.5439 0.5439 0.5439 0.5439 0.6324 0.6324 0.6324 0.6324 3.1072 3.1072 3.1072 3.1072 5.9332 5.9332 5.9332 5.9332 6.2845 6.2845 6.2845 6.2845 6.4084 6.4084 6.4084 6.4084 k = 0.0000 0.0000 0.4099 ( 11920 PWs) bands (ev): -15.6354 -15.6354 -15.6354 -15.6354 -13.6096 -13.6096 -13.6096 -13.6096 -13.5713 -13.5713 -13.5713 -13.5713 -12.9935 -12.9935 -12.9935 -12.9935 -12.2881 -12.2881 -12.2881 -12.2881 -8.3771 -8.3771 -8.3771 -8.3771 -4.4069 -4.4069 -4.4069 -4.4069 -4.1963 -4.1963 -4.1963 -4.1963 -3.9089 -3.9089 -3.9089 -3.9089 -1.7528 -1.7528 -1.7528 -1.7528 -1.6939 -1.6939 -1.6939 -1.6939 -0.9344 -0.9344 -0.9344 -0.9344 -0.8701 -0.8701 -0.8701 -0.8701 -0.5776 -0.5776 -0.5776 -0.5776 -0.4799 -0.4799 -0.4799 -0.4799 -0.3682 -0.3682 -0.3682 -0.3682 0.1411 0.1411 0.1411 0.1411 0.2496 0.2496 0.2496 0.2496 0.5439 0.5439 0.5439 0.5439 0.6324 0.6324 0.6324 0.6324 3.1072 3.1072 3.1072 3.1072 5.9332 5.9332 5.9332 5.9332 6.2845 6.2845 6.2845 6.2845 6.4084 6.4084 6.4084 6.4084 k = 0.0192-0.0000 0.4099 ( 11928 PWs) bands (ev): -15.6353 -15.6353 -15.6353 -15.6353 -13.6100 -13.6100 -13.6100 -13.6100 -13.5713 -13.5713 -13.5713 -13.5713 -12.9934 -12.9934 -12.9934 -12.9934 -12.2880 -12.2880 -12.2880 -12.2880 -8.3769 -8.3769 -8.3769 -8.3769 -4.4061 -4.4061 -4.4061 -4.4061 -4.1963 -4.1963 -4.1963 -4.1963 -3.9092 -3.9092 -3.9092 -3.9092 -1.7526 -1.7526 -1.7526 -1.7526 -1.6939 -1.6939 -1.6939 -1.6939 -0.9369 -0.9369 -0.9369 -0.9369 -0.8711 -0.8711 -0.8711 -0.8711 -0.5761 -0.5761 -0.5761 -0.5761 -0.4791 -0.4791 -0.4791 -0.4791 -0.3680 -0.3680 -0.3680 -0.3680 0.1413 0.1413 0.1413 0.1413 0.2494 0.2494 0.2494 0.2494 0.5441 0.5441 0.5441 0.5441 0.6324 0.6324 0.6324 0.6324 3.1071 3.1071 3.1071 3.1071 5.9326 5.9326 5.9326 5.9326 6.2838 6.2838 6.2838 6.2838 6.4082 6.4082 6.4082 6.4082 k = 0.0385-0.0000 0.4099 ( 11920 PWs) bands (ev): -15.6348 -15.6348 -15.6348 -15.6348 -13.6113 -13.6113 -13.6113 -13.6113 -13.5713 -13.5713 -13.5713 -13.5713 -12.9934 -12.9934 -12.9934 -12.9934 -12.2875 -12.2875 -12.2875 -12.2875 -8.3762 -8.3762 -8.3762 -8.3762 -4.4038 -4.4038 -4.4038 -4.4038 -4.1963 -4.1963 -4.1963 -4.1963 -3.9102 -3.9102 -3.9102 -3.9102 -1.7520 -1.7520 -1.7520 -1.7520 -1.6939 -1.6939 -1.6939 -1.6939 -0.9445 -0.9445 -0.9445 -0.9445 -0.8741 -0.8741 -0.8741 -0.8741 -0.5716 -0.5716 -0.5716 -0.5716 -0.4769 -0.4769 -0.4769 -0.4769 -0.3674 -0.3674 -0.3674 -0.3674 0.1422 0.1422 0.1422 0.1422 0.2488 0.2488 0.2488 0.2488 0.5444 0.5444 0.5444 0.5444 0.6325 0.6325 0.6325 0.6325 3.1067 3.1067 3.1067 3.1067 5.9308 5.9308 5.9308 5.9308 6.2819 6.2819 6.2819 6.2819 6.4074 6.4074 6.4074 6.4074 k = 0.0577-0.0000 0.4099 ( 11918 PWs) bands (ev): -15.6341 -15.6341 -15.6341 -15.6341 -13.6134 -13.6134 -13.6134 -13.6134 -13.5713 -13.5713 -13.5713 -13.5713 -12.9933 -12.9933 -12.9933 -12.9933 -12.2868 -12.2868 -12.2868 -12.2868 -8.3751 -8.3751 -8.3751 -8.3751 -4.3999 -4.3999 -4.3999 -4.3999 -4.1963 -4.1963 -4.1963 -4.1963 -3.9117 -3.9117 -3.9117 -3.9117 -1.7510 -1.7510 -1.7510 -1.7510 -1.6939 -1.6939 -1.6939 -1.6939 -0.9569 -0.9569 -0.9569 -0.9569 -0.8789 -0.8789 -0.8789 -0.8789 -0.5644 -0.5644 -0.5644 -0.5644 -0.4739 -0.4739 -0.4739 -0.4739 -0.3660 -0.3660 -0.3660 -0.3660 0.1435 0.1435 0.1435 0.1435 0.2478 0.2478 0.2478 0.2478 0.5451 0.5451 0.5451 0.5451 0.6326 0.6326 0.6326 0.6326 3.1060 3.1060 3.1060 3.1060 5.9279 5.9279 5.9279 5.9279 6.2787 6.2787 6.2787 6.2787 6.4061 6.4061 6.4061 6.4061 k = 0.0769-0.0000 0.4099 ( 11926 PWs) bands (ev): -15.6331 -15.6331 -15.6331 -15.6331 -13.6163 -13.6163 -13.6163 -13.6163 -13.5714 -13.5714 -13.5714 -13.5714 -12.9931 -12.9931 -12.9931 -12.9931 -12.2858 -12.2858 -12.2858 -12.2858 -8.3736 -8.3736 -8.3736 -8.3736 -4.3946 -4.3946 -4.3946 -4.3946 -4.1964 -4.1964 -4.1964 -4.1964 -3.9138 -3.9138 -3.9138 -3.9138 -1.7496 -1.7496 -1.7496 -1.7496 -1.6938 -1.6938 -1.6938 -1.6938 -0.9737 -0.9737 -0.9737 -0.9737 -0.8850 -0.8850 -0.8850 -0.8850 -0.5548 -0.5548 -0.5548 -0.5548 -0.4704 -0.4704 -0.4704 -0.4704 -0.3636 -0.3636 -0.3636 -0.3636 0.1453 0.1453 0.1453 0.1453 0.2465 0.2465 0.2465 0.2465 0.5459 0.5459 0.5459 0.5459 0.6328 0.6328 0.6328 0.6328 3.1050 3.1050 3.1050 3.1050 5.9239 5.9239 5.9239 5.9239 6.2741 6.2741 6.2741 6.2741 6.4046 6.4046 6.4046 6.4046 k = 0.0962-0.0000 0.4099 ( 11938 PWs) bands (ev): -15.6318 -15.6318 -15.6318 -15.6318 -13.6200 -13.6200 -13.6200 -13.6200 -13.5714 -13.5714 -13.5714 -13.5714 -12.9929 -12.9929 -12.9929 -12.9929 -12.2845 -12.2845 -12.2845 -12.2845 -8.3718 -8.3718 -8.3718 -8.3718 -4.3878 -4.3878 -4.3878 -4.3878 -4.1963 -4.1963 -4.1963 -4.1963 -3.9165 -3.9165 -3.9165 -3.9165 -1.7479 -1.7479 -1.7479 -1.7479 -1.6938 -1.6938 -1.6938 -1.6938 -0.9946 -0.9946 -0.9946 -0.9946 -0.8921 -0.8921 -0.8921 -0.8921 -0.5434 -0.5434 -0.5434 -0.5434 -0.4671 -0.4671 -0.4671 -0.4671 -0.3599 -0.3599 -0.3599 -0.3599 0.1476 0.1476 0.1476 0.1476 0.2449 0.2449 0.2449 0.2449 0.5468 0.5468 0.5468 0.5468 0.6331 0.6331 0.6331 0.6331 3.1038 3.1038 3.1038 3.1038 5.9189 5.9189 5.9189 5.9189 6.2681 6.2681 6.2681 6.2681 6.4030 6.4030 6.4030 6.4030 k = 0.1154-0.0000 0.4099 ( 11916 PWs) bands (ev): -15.6303 -15.6303 -15.6303 -15.6303 -13.6244 -13.6244 -13.6244 -13.6244 -13.5714 -13.5714 -13.5714 -13.5714 -12.9927 -12.9927 -12.9927 -12.9927 -12.2830 -12.2830 -12.2830 -12.2830 -8.3695 -8.3695 -8.3695 -8.3695 -4.3798 -4.3798 -4.3798 -4.3798 -4.1962 -4.1962 -4.1962 -4.1962 -3.9196 -3.9196 -3.9196 -3.9196 -1.7459 -1.7459 -1.7459 -1.7459 -1.6938 -1.6938 -1.6938 -1.6938 -1.0189 -1.0189 -1.0189 -1.0189 -0.8999 -0.8999 -0.8999 -0.8999 -0.5307 -0.5307 -0.5307 -0.5307 -0.4642 -0.4642 -0.4642 -0.4642 -0.3545 -0.3545 -0.3545 -0.3545 0.1502 0.1502 0.1502 0.1502 0.2430 0.2430 0.2430 0.2430 0.5479 0.5479 0.5479 0.5479 0.6334 0.6334 0.6334 0.6334 3.1023 3.1023 3.1023 3.1023 5.9131 5.9131 5.9131 5.9131 6.2605 6.2605 6.2605 6.2605 6.4015 6.4015 6.4015 6.4015 k = 0.1346-0.0000 0.4099 ( 11922 PWs) bands (ev): -15.6286 -15.6286 -15.6286 -15.6286 -13.6295 -13.6295 -13.6295 -13.6295 -13.5714 -13.5714 -13.5714 -13.5714 -12.9925 -12.9925 -12.9925 -12.9925 -12.2813 -12.2813 -12.2813 -12.2813 -8.3669 -8.3669 -8.3669 -8.3669 -4.3705 -4.3705 -4.3705 -4.3705 -4.1960 -4.1960 -4.1960 -4.1960 -3.9232 -3.9232 -3.9232 -3.9232 -1.7437 -1.7437 -1.7437 -1.7437 -1.6938 -1.6938 -1.6938 -1.6938 -1.0463 -1.0463 -1.0463 -1.0463 -0.9082 -0.9082 -0.9082 -0.9082 -0.5178 -0.5178 -0.5178 -0.5178 -0.4610 -0.4610 -0.4610 -0.4610 -0.3476 -0.3476 -0.3476 -0.3476 0.1532 0.1532 0.1532 0.1532 0.2409 0.2409 0.2409 0.2409 0.5491 0.5491 0.5491 0.5491 0.6337 0.6337 0.6337 0.6337 3.1004 3.1004 3.1004 3.1004 5.9065 5.9065 5.9065 5.9065 6.2515 6.2515 6.2515 6.2515 6.4002 6.4002 6.4002 6.4002 k = 0.1538-0.0000 0.4099 ( 11914 PWs) bands (ev): -15.6267 -15.6267 -15.6267 -15.6267 -13.6351 -13.6351 -13.6351 -13.6351 -13.5714 -13.5714 -13.5714 -13.5714 -12.9922 -12.9922 -12.9922 -12.9922 -12.2793 -12.2793 -12.2793 -12.2793 -8.3641 -8.3641 -8.3641 -8.3641 -4.3602 -4.3602 -4.3602 -4.3602 -4.1956 -4.1956 -4.1956 -4.1956 -3.9272 -3.9272 -3.9272 -3.9272 -1.7412 -1.7412 -1.7412 -1.7412 -1.6937 -1.6937 -1.6937 -1.6937 -1.0763 -1.0763 -1.0763 -1.0763 -0.9166 -0.9166 -0.9166 -0.9166 -0.5064 -0.5064 -0.5064 -0.5064 -0.4562 -0.4562 -0.4562 -0.4562 -0.3395 -0.3395 -0.3395 -0.3395 0.1563 0.1563 0.1563 0.1563 0.2387 0.2387 0.2387 0.2387 0.5502 0.5502 0.5502 0.5502 0.6341 0.6341 0.6341 0.6341 3.0983 3.0983 3.0983 3.0983 5.8993 5.8993 5.8993 5.8993 6.2409 6.2409 6.2409 6.2409 6.3994 6.3994 6.3994 6.3994 k = 0.1731-0.0000 0.4099 ( 11904 PWs) bands (ev): -15.6245 -15.6245 -15.6245 -15.6245 -13.6412 -13.6412 -13.6412 -13.6412 -13.5714 -13.5714 -13.5714 -13.5714 -12.9920 -12.9920 -12.9920 -12.9920 -12.2773 -12.2773 -12.2773 -12.2773 -8.3610 -8.3610 -8.3610 -8.3610 -4.3491 -4.3491 -4.3491 -4.3491 -4.1949 -4.1949 -4.1949 -4.1949 -3.9315 -3.9315 -3.9315 -3.9315 -1.7386 -1.7386 -1.7386 -1.7386 -1.6937 -1.6937 -1.6937 -1.6937 -1.1083 -1.1083 -1.1083 -1.1083 -0.9251 -0.9251 -0.9251 -0.9251 -0.4985 -0.4985 -0.4985 -0.4985 -0.4478 -0.4478 -0.4478 -0.4478 -0.3305 -0.3305 -0.3305 -0.3305 0.1595 0.1595 0.1595 0.1595 0.2366 0.2366 0.2366 0.2366 0.5513 0.5513 0.5513 0.5513 0.6345 0.6345 0.6345 0.6345 3.0958 3.0958 3.0958 3.0958 5.8918 5.8918 5.8918 5.8918 6.2289 6.2289 6.2289 6.2289 6.3989 6.3989 6.3989 6.3989 k = 0.1923-0.0000 0.4099 ( 11896 PWs) bands (ev): -15.6223 -15.6223 -15.6223 -15.6223 -13.6478 -13.6478 -13.6478 -13.6478 -13.5714 -13.5714 -13.5714 -13.5714 -12.9917 -12.9917 -12.9917 -12.9917 -12.2751 -12.2751 -12.2751 -12.2751 -8.3577 -8.3577 -8.3577 -8.3577 -4.3373 -4.3373 -4.3373 -4.3373 -4.1939 -4.1939 -4.1939 -4.1939 -3.9360 -3.9360 -3.9360 -3.9360 -1.7359 -1.7359 -1.7359 -1.7359 -1.6935 -1.6935 -1.6935 -1.6935 -1.1421 -1.1421 -1.1421 -1.1421 -0.9334 -0.9334 -0.9334 -0.9334 -0.4947 -0.4947 -0.4947 -0.4947 -0.4350 -0.4350 -0.4350 -0.4350 -0.3211 -0.3211 -0.3211 -0.3211 0.1626 0.1626 0.1626 0.1626 0.2346 0.2346 0.2346 0.2346 0.5523 0.5523 0.5523 0.5523 0.6349 0.6349 0.6349 0.6349 3.0931 3.0931 3.0931 3.0931 5.8839 5.8839 5.8839 5.8839 6.2157 6.2157 6.2157 6.2157 6.3990 6.3990 6.3990 6.3990 k = 0.2115-0.0000 0.4099 ( 11892 PWs) bands (ev): -15.6199 -15.6199 -15.6199 -15.6199 -13.6546 -13.6546 -13.6546 -13.6546 -13.5714 -13.5714 -13.5714 -13.5714 -12.9914 -12.9914 -12.9914 -12.9914 -12.2729 -12.2729 -12.2729 -12.2729 -8.3542 -8.3542 -8.3542 -8.3542 -4.3252 -4.3252 -4.3252 -4.3252 -4.1923 -4.1923 -4.1923 -4.1923 -3.9407 -3.9407 -3.9407 -3.9407 -1.7332 -1.7332 -1.7332 -1.7332 -1.6933 -1.6933 -1.6933 -1.6933 -1.1771 -1.1771 -1.1771 -1.1771 -0.9415 -0.9415 -0.9415 -0.9415 -0.4939 -0.4939 -0.4939 -0.4939 -0.4191 -0.4191 -0.4191 -0.4191 -0.3116 -0.3116 -0.3116 -0.3116 0.1653 0.1653 0.1653 0.1653 0.2331 0.2331 0.2331 0.2331 0.5533 0.5533 0.5533 0.5533 0.6352 0.6352 0.6352 0.6352 3.0900 3.0900 3.0900 3.0900 5.8759 5.8759 5.8759 5.8759 6.2015 6.2015 6.2015 6.2015 6.3995 6.3995 6.3995 6.3995 k = 0.2308-0.0000 0.4099 ( 11892 PWs) bands (ev): -15.6174 -15.6174 -15.6174 -15.6174 -13.6616 -13.6616 -13.6616 -13.6616 -13.5713 -13.5713 -13.5713 -13.5713 -12.9911 -12.9911 -12.9911 -12.9911 -12.2706 -12.2706 -12.2706 -12.2706 -8.3507 -8.3507 -8.3507 -8.3507 -4.3131 -4.3131 -4.3131 -4.3131 -4.1901 -4.1901 -4.1901 -4.1901 -3.9456 -3.9456 -3.9456 -3.9456 -1.7306 -1.7306 -1.7306 -1.7306 -1.6930 -1.6930 -1.6930 -1.6930 -1.2129 -1.2129 -1.2129 -1.2129 -0.9493 -0.9493 -0.9493 -0.9493 -0.4947 -0.4947 -0.4947 -0.4947 -0.4014 -0.4014 -0.4014 -0.4014 -0.3023 -0.3023 -0.3023 -0.3023 0.1676 0.1676 0.1676 0.1676 0.2321 0.2321 0.2321 0.2321 0.5540 0.5540 0.5540 0.5540 0.6356 0.6356 0.6356 0.6356 3.0868 3.0868 3.0868 3.0868 5.8679 5.8679 5.8679 5.8679 6.1865 6.1865 6.1865 6.1865 6.4005 6.4005 6.4005 6.4005 k = 0.2500-0.0000 0.4099 ( 11896 PWs) bands (ev): -15.6149 -15.6149 -15.6149 -15.6149 -13.6687 -13.6687 -13.6687 -13.6687 -13.5713 -13.5713 -13.5713 -13.5713 -12.9908 -12.9908 -12.9908 -12.9908 -12.2683 -12.2683 -12.2683 -12.2683 -8.3471 -8.3471 -8.3471 -8.3471 -4.3013 -4.3013 -4.3013 -4.3013 -4.1870 -4.1870 -4.1870 -4.1870 -3.9504 -3.9504 -3.9504 -3.9504 -1.7282 -1.7282 -1.7282 -1.7282 -1.6925 -1.6925 -1.6925 -1.6925 -1.2491 -1.2491 -1.2491 -1.2491 -0.9568 -0.9568 -0.9568 -0.9568 -0.4960 -0.4960 -0.4960 -0.4960 -0.3828 -0.3828 -0.3828 -0.3828 -0.2935 -0.2935 -0.2935 -0.2935 0.1691 0.1691 0.1691 0.1691 0.2319 0.2319 0.2319 0.2319 0.5546 0.5546 0.5546 0.5546 0.6360 0.6360 0.6360 0.6360 3.0833 3.0833 3.0833 3.0833 5.8600 5.8600 5.8600 5.8600 6.1710 6.1710 6.1710 6.1710 6.4019 6.4019 6.4019 6.4019 k = 0.2692-0.0000 0.4099 ( 11886 PWs) bands (ev): -15.6124 -15.6124 -15.6124 -15.6124 -13.6758 -13.6758 -13.6758 -13.6758 -13.5712 -13.5712 -13.5712 -13.5712 -12.9905 -12.9905 -12.9905 -12.9905 -12.2660 -12.2660 -12.2660 -12.2660 -8.3435 -8.3435 -8.3435 -8.3435 -4.2903 -4.2903 -4.2903 -4.2903 -4.1828 -4.1828 -4.1828 -4.1828 -3.9552 -3.9552 -3.9552 -3.9552 -1.7260 -1.7260 -1.7260 -1.7260 -1.6917 -1.6917 -1.6917 -1.6917 -1.2853 -1.2853 -1.2853 -1.2853 -0.9638 -0.9638 -0.9638 -0.9638 -0.4974 -0.4974 -0.4974 -0.4974 -0.3641 -0.3641 -0.3641 -0.3641 -0.2852 -0.2852 -0.2852 -0.2852 0.1696 0.1696 0.1696 0.1696 0.2327 0.2327 0.2327 0.2327 0.5551 0.5551 0.5551 0.5551 0.6364 0.6364 0.6364 0.6364 3.0797 3.0797 3.0797 3.0797 5.8524 5.8524 5.8524 5.8524 6.1552 6.1552 6.1552 6.1552 6.4036 6.4036 6.4036 6.4036 k = 0.2885-0.0000 0.4099 ( 11894 PWs) bands (ev): -15.6099 -15.6099 -15.6099 -15.6099 -13.6827 -13.6827 -13.6827 -13.6827 -13.5712 -13.5712 -13.5712 -13.5712 -12.9902 -12.9902 -12.9902 -12.9902 -12.2638 -12.2638 -12.2638 -12.2638 -8.3400 -8.3400 -8.3400 -8.3400 -4.2805 -4.2805 -4.2805 -4.2805 -4.1774 -4.1774 -4.1774 -4.1774 -3.9599 -3.9599 -3.9599 -3.9599 -1.7241 -1.7241 -1.7241 -1.7241 -1.6907 -1.6907 -1.6907 -1.6907 -1.3211 -1.3211 -1.3211 -1.3211 -0.9703 -0.9703 -0.9703 -0.9703 -0.4987 -0.4987 -0.4987 -0.4987 -0.3457 -0.3457 -0.3457 -0.3457 -0.2776 -0.2776 -0.2776 -0.2776 0.1692 0.1692 0.1692 0.1692 0.2345 0.2345 0.2345 0.2345 0.5554 0.5554 0.5554 0.5554 0.6367 0.6367 0.6367 0.6367 3.0759 3.0759 3.0759 3.0759 5.8452 5.8452 5.8452 5.8452 6.1394 6.1394 6.1394 6.1394 6.4056 6.4056 6.4056 6.4056 k = 0.3077-0.0000 0.4099 ( 11888 PWs) bands (ev): -15.6074 -15.6074 -15.6074 -15.6074 -13.6895 -13.6895 -13.6895 -13.6895 -13.5711 -13.5711 -13.5711 -13.5711 -12.9899 -12.9899 -12.9899 -12.9899 -12.2616 -12.2616 -12.2616 -12.2616 -8.3366 -8.3366 -8.3366 -8.3366 -4.2721 -4.2721 -4.2721 -4.2721 -4.1706 -4.1706 -4.1706 -4.1706 -3.9644 -3.9644 -3.9644 -3.9644 -1.7224 -1.7224 -1.7224 -1.7224 -1.6894 -1.6894 -1.6894 -1.6894 -1.3560 -1.3560 -1.3560 -1.3560 -0.9764 -0.9764 -0.9764 -0.9764 -0.4997 -0.4997 -0.4997 -0.4997 -0.3278 -0.3278 -0.3278 -0.3278 -0.2707 -0.2707 -0.2707 -0.2707 0.1679 0.1679 0.1679 0.1679 0.2371 0.2371 0.2371 0.2371 0.5555 0.5555 0.5555 0.5555 0.6370 0.6370 0.6370 0.6370 3.0722 3.0722 3.0722 3.0722 5.8383 5.8383 5.8383 5.8383 6.1239 6.1239 6.1239 6.1239 6.4078 6.4078 6.4078 6.4078 k = 0.3269-0.0000 0.4099 ( 11900 PWs) bands (ev): -15.6051 -15.6051 -15.6051 -15.6051 -13.6959 -13.6959 -13.6959 -13.6959 -13.5711 -13.5711 -13.5711 -13.5711 -12.9896 -12.9896 -12.9896 -12.9896 -12.2596 -12.2596 -12.2596 -12.2596 -8.3334 -8.3334 -8.3334 -8.3334 -4.2653 -4.2653 -4.2653 -4.2653 -4.1627 -4.1627 -4.1627 -4.1627 -3.9687 -3.9687 -3.9687 -3.9687 -1.7209 -1.7209 -1.7209 -1.7209 -1.6879 -1.6879 -1.6879 -1.6879 -1.3896 -1.3896 -1.3896 -1.3896 -0.9819 -0.9819 -0.9819 -0.9819 -0.5004 -0.5004 -0.5004 -0.5004 -0.3108 -0.3108 -0.3108 -0.3108 -0.2645 -0.2645 -0.2645 -0.2645 0.1658 0.1658 0.1658 0.1658 0.2403 0.2403 0.2403 0.2403 0.5555 0.5555 0.5555 0.5555 0.6373 0.6373 0.6373 0.6373 3.0684 3.0684 3.0684 3.0684 5.8320 5.8320 5.8320 5.8320 6.1089 6.1089 6.1089 6.1089 6.4100 6.4100 6.4100 6.4100 k = 0.3462-0.0000 0.4099 ( 11898 PWs) bands (ev): -15.6029 -15.6029 -15.6029 -15.6029 -13.7019 -13.7019 -13.7019 -13.7019 -13.5710 -13.5710 -13.5710 -13.5710 -12.9894 -12.9894 -12.9894 -12.9894 -12.2577 -12.2577 -12.2577 -12.2577 -8.3304 -8.3304 -8.3304 -8.3304 -4.2601 -4.2601 -4.2601 -4.2601 -4.1539 -4.1539 -4.1539 -4.1539 -3.9726 -3.9726 -3.9726 -3.9726 -1.7195 -1.7195 -1.7195 -1.7195 -1.6863 -1.6863 -1.6863 -1.6863 -1.4215 -1.4215 -1.4215 -1.4215 -0.9869 -0.9869 -0.9869 -0.9869 -0.5007 -0.5007 -0.5007 -0.5007 -0.2951 -0.2951 -0.2951 -0.2951 -0.2588 -0.2588 -0.2588 -0.2588 0.1633 0.1633 0.1633 0.1633 0.2440 0.2440 0.2440 0.2440 0.5554 0.5554 0.5554 0.5554 0.6376 0.6376 0.6376 0.6376 3.0648 3.0648 3.0648 3.0648 5.8262 5.8262 5.8262 5.8262 6.0948 6.0948 6.0948 6.0948 6.4122 6.4122 6.4122 6.4122 k = 0.3654-0.0000 0.4099 ( 11900 PWs) bands (ev): -15.6008 -15.6008 -15.6008 -15.6008 -13.7075 -13.7075 -13.7075 -13.7075 -13.5710 -13.5710 -13.5710 -13.5710 -12.9892 -12.9892 -12.9892 -12.9892 -12.2560 -12.2560 -12.2560 -12.2560 -8.3276 -8.3276 -8.3276 -8.3276 -4.2561 -4.2561 -4.2561 -4.2561 -4.1447 -4.1447 -4.1447 -4.1447 -3.9762 -3.9762 -3.9762 -3.9762 -1.7182 -1.7182 -1.7182 -1.7182 -1.6846 -1.6846 -1.6846 -1.6846 -1.4512 -1.4512 -1.4512 -1.4512 -0.9914 -0.9914 -0.9914 -0.9914 -0.5008 -0.5008 -0.5008 -0.5008 -0.2810 -0.2810 -0.2810 -0.2810 -0.2535 -0.2535 -0.2535 -0.2535 0.1604 0.1604 0.1604 0.1604 0.2478 0.2478 0.2478 0.2478 0.5551 0.5551 0.5551 0.5551 0.6378 0.6378 0.6378 0.6378 3.0614 3.0614 3.0614 3.0614 5.8211 5.8211 5.8211 5.8211 6.0818 6.0818 6.0818 6.0818 6.4144 6.4144 6.4144 6.4144 k = 0.3846-0.0000 0.4099 ( 11886 PWs) bands (ev): -15.5990 -15.5990 -15.5990 -15.5990 -13.7124 -13.7124 -13.7124 -13.7124 -13.5709 -13.5709 -13.5709 -13.5709 -12.9890 -12.9890 -12.9890 -12.9890 -12.2545 -12.2545 -12.2545 -12.2545 -8.3251 -8.3251 -8.3251 -8.3251 -4.2531 -4.2531 -4.2531 -4.2531 -4.1357 -4.1357 -4.1357 -4.1357 -3.9793 -3.9793 -3.9793 -3.9793 -1.7169 -1.7169 -1.7169 -1.7169 -1.6829 -1.6829 -1.6829 -1.6829 -1.4784 -1.4784 -1.4784 -1.4784 -0.9953 -0.9953 -0.9953 -0.9953 -0.5007 -0.5007 -0.5007 -0.5007 -0.2691 -0.2691 -0.2691 -0.2691 -0.2482 -0.2482 -0.2482 -0.2482 0.1575 0.1575 0.1575 0.1575 0.2515 0.2515 0.2515 0.2515 0.5549 0.5549 0.5549 0.5549 0.6380 0.6380 0.6380 0.6380 3.0583 3.0583 3.0583 3.0583 5.8165 5.8165 5.8165 5.8165 6.0700 6.0700 6.0700 6.0700 6.4165 6.4165 6.4165 6.4165 k = 0.4038-0.0000 0.4099 ( 11896 PWs) bands (ev): -15.5974 -15.5974 -15.5974 -15.5974 -13.7168 -13.7168 -13.7168 -13.7168 -13.5709 -13.5709 -13.5709 -13.5709 -12.9888 -12.9888 -12.9888 -12.9888 -12.2531 -12.2531 -12.2531 -12.2531 -8.3229 -8.3229 -8.3229 -8.3229 -4.2510 -4.2510 -4.2510 -4.2510 -4.1272 -4.1272 -4.1272 -4.1272 -3.9819 -3.9819 -3.9819 -3.9819 -1.7155 -1.7155 -1.7155 -1.7155 -1.6813 -1.6813 -1.6813 -1.6813 -1.5026 -1.5026 -1.5026 -1.5026 -0.9986 -0.9986 -0.9986 -0.9986 -0.5004 -0.5004 -0.5004 -0.5004 -0.2602 -0.2602 -0.2602 -0.2602 -0.2422 -0.2422 -0.2422 -0.2422 0.1547 0.1547 0.1547 0.1547 0.2549 0.2549 0.2549 0.2549 0.5546 0.5546 0.5546 0.5546 0.6382 0.6382 0.6382 0.6382 3.0555 3.0555 3.0555 3.0555 5.8126 5.8126 5.8126 5.8126 6.0597 6.0597 6.0597 6.0597 6.4183 6.4183 6.4183 6.4183 k = 0.4231-0.0000 0.4099 ( 11892 PWs) bands (ev): -15.5960 -15.5960 -15.5960 -15.5960 -13.7204 -13.7204 -13.7204 -13.7204 -13.5708 -13.5708 -13.5708 -13.5708 -12.9887 -12.9887 -12.9887 -12.9887 -12.2520 -12.2520 -12.2520 -12.2520 -8.3211 -8.3211 -8.3211 -8.3211 -4.2495 -4.2495 -4.2495 -4.2495 -4.1197 -4.1197 -4.1197 -4.1197 -3.9841 -3.9841 -3.9841 -3.9841 -1.7140 -1.7140 -1.7140 -1.7140 -1.6799 -1.6799 -1.6799 -1.6799 -1.5233 -1.5233 -1.5233 -1.5233 -1.0013 -1.0013 -1.0013 -1.0013 -0.5000 -0.5000 -0.5000 -0.5000 -0.2544 -0.2544 -0.2544 -0.2544 -0.2356 -0.2356 -0.2356 -0.2356 0.1522 0.1522 0.1522 0.1522 0.2579 0.2579 0.2579 0.2579 0.5543 0.5543 0.5543 0.5543 0.6384 0.6384 0.6384 0.6384 3.0531 3.0531 3.0531 3.0531 5.8094 5.8094 5.8094 5.8094 6.0511 6.0511 6.0511 6.0511 6.4199 6.4199 6.4199 6.4199 k = 0.4423-0.0000 0.4099 ( 11878 PWs) bands (ev): -15.5950 -15.5950 -15.5950 -15.5950 -13.7233 -13.7233 -13.7233 -13.7233 -13.5708 -13.5708 -13.5708 -13.5708 -12.9885 -12.9885 -12.9885 -12.9885 -12.2512 -12.2512 -12.2512 -12.2512 -8.3196 -8.3196 -8.3196 -8.3196 -4.2484 -4.2484 -4.2484 -4.2484 -4.1136 -4.1136 -4.1136 -4.1136 -3.9858 -3.9858 -3.9858 -3.9858 -1.7126 -1.7126 -1.7126 -1.7126 -1.6787 -1.6787 -1.6787 -1.6787 -1.5401 -1.5401 -1.5401 -1.5401 -1.0035 -1.0035 -1.0035 -1.0035 -0.4996 -0.4996 -0.4996 -0.4996 -0.2509 -0.2509 -0.2509 -0.2509 -0.2293 -0.2293 -0.2293 -0.2293 0.1500 0.1500 0.1500 0.1500 0.2604 0.2604 0.2604 0.2604 0.5540 0.5540 0.5540 0.5540 0.6385 0.6385 0.6385 0.6385 3.0512 3.0512 3.0512 3.0512 5.8069 5.8069 5.8069 5.8069 6.0442 6.0442 6.0442 6.0442 6.4212 6.4212 6.4212 6.4212 k = 0.4615-0.0000 0.4099 ( 11894 PWs) bands (ev): -15.5942 -15.5942 -15.5942 -15.5942 -13.7254 -13.7254 -13.7254 -13.7254 -13.5708 -13.5708 -13.5708 -13.5708 -12.9885 -12.9885 -12.9885 -12.9885 -12.2505 -12.2505 -12.2505 -12.2505 -8.3186 -8.3186 -8.3186 -8.3186 -4.2477 -4.2477 -4.2477 -4.2477 -4.1091 -4.1091 -4.1091 -4.1091 -3.9870 -3.9870 -3.9870 -3.9870 -1.7113 -1.7113 -1.7113 -1.7113 -1.6778 -1.6778 -1.6778 -1.6778 -1.5527 -1.5527 -1.5527 -1.5527 -1.0050 -1.0050 -1.0050 -1.0050 -0.4993 -0.4993 -0.4993 -0.4993 -0.2488 -0.2488 -0.2488 -0.2488 -0.2243 -0.2243 -0.2243 -0.2243 0.1484 0.1484 0.1484 0.1484 0.2623 0.2623 0.2623 0.2623 0.5538 0.5538 0.5538 0.5538 0.6386 0.6386 0.6386 0.6386 3.0498 3.0498 3.0498 3.0498 5.8051 5.8051 5.8051 5.8051 6.0392 6.0392 6.0392 6.0392 6.4222 6.4222 6.4222 6.4222 k = 0.4808-0.0000 0.4099 ( 11894 PWs) bands (ev): -15.5937 -15.5937 -15.5937 -15.5937 -13.7266 -13.7266 -13.7266 -13.7266 -13.5708 -13.5708 -13.5708 -13.5708 -12.9884 -12.9884 -12.9884 -12.9884 -12.2501 -12.2501 -12.2501 -12.2501 -8.3180 -8.3180 -8.3180 -8.3180 -4.2473 -4.2473 -4.2473 -4.2473 -4.1063 -4.1063 -4.1063 -4.1063 -3.9877 -3.9877 -3.9877 -3.9877 -1.7104 -1.7104 -1.7104 -1.7104 -1.6772 -1.6772 -1.6772 -1.6772 -1.5604 -1.5604 -1.5604 -1.5604 -1.0059 -1.0059 -1.0059 -1.0059 -0.4991 -0.4991 -0.4991 -0.4991 -0.2476 -0.2476 -0.2476 -0.2476 -0.2212 -0.2212 -0.2212 -0.2212 0.1474 0.1474 0.1474 0.1474 0.2634 0.2634 0.2634 0.2634 0.5536 0.5536 0.5536 0.5536 0.6386 0.6386 0.6386 0.6386 3.0489 3.0489 3.0489 3.0489 5.8040 5.8040 5.8040 5.8040 6.0362 6.0362 6.0362 6.0362 6.4227 6.4227 6.4227 6.4227 k = 0.5000-0.0000 0.4099 ( 11896 PWs) bands (ev): -15.5935 -15.5935 -15.5935 -15.5935 -13.7270 -13.7270 -13.7270 -13.7270 -13.5708 -13.5708 -13.5708 -13.5708 -12.9884 -12.9884 -12.9884 -12.9884 -12.2500 -12.2500 -12.2500 -12.2500 -8.3178 -8.3178 -8.3178 -8.3178 -4.2472 -4.2472 -4.2472 -4.2472 -4.1053 -4.1053 -4.1053 -4.1053 -3.9879 -3.9879 -3.9879 -3.9879 -1.7101 -1.7101 -1.7101 -1.7101 -1.6770 -1.6770 -1.6770 -1.6770 -1.5630 -1.5630 -1.5630 -1.5630 -1.0062 -1.0062 -1.0062 -1.0062 -0.4990 -0.4990 -0.4990 -0.4990 -0.2472 -0.2472 -0.2472 -0.2472 -0.2201 -0.2201 -0.2201 -0.2201 0.1471 0.1471 0.1471 0.1471 0.2638 0.2638 0.2638 0.2638 0.5536 0.5536 0.5536 0.5536 0.6387 0.6387 0.6387 0.6387 3.0486 3.0486 3.0486 3.0486 5.8037 5.8037 5.8037 5.8037 6.0352 6.0352 6.0352 6.0352 6.4229 6.4229 6.4229 6.4229 k = 0.5000-0.0000 0.4099 ( 11896 PWs) bands (ev): -15.5935 -15.5935 -15.5935 -15.5935 -13.7270 -13.7270 -13.7270 -13.7270 -13.5708 -13.5708 -13.5708 -13.5708 -12.9884 -12.9884 -12.9884 -12.9884 -12.2500 -12.2500 -12.2500 -12.2500 -8.3178 -8.3178 -8.3178 -8.3178 -4.2472 -4.2472 -4.2472 -4.2472 -4.1053 -4.1053 -4.1053 -4.1053 -3.9879 -3.9879 -3.9879 -3.9879 -1.7101 -1.7101 -1.7101 -1.7101 -1.6770 -1.6770 -1.6770 -1.6770 -1.5630 -1.5630 -1.5630 -1.5630 -1.0062 -1.0062 -1.0062 -1.0062 -0.4990 -0.4990 -0.4990 -0.4990 -0.2472 -0.2472 -0.2472 -0.2472 -0.2201 -0.2201 -0.2201 -0.2201 0.1471 0.1471 0.1471 0.1471 0.2638 0.2638 0.2638 0.2638 0.5536 0.5536 0.5536 0.5536 0.6387 0.6387 0.6387 0.6387 3.0486 3.0486 3.0486 3.0486 5.8037 5.8037 5.8037 5.8037 6.0352 6.0352 6.0352 6.0352 6.4229 6.4229 6.4229 6.4229 k = 0.5000 0.0192 0.4099 ( 11896 PWs) bands (ev): -15.5935 -15.5935 -15.5935 -15.5935 -13.7273 -13.7273 -13.7267 -13.7267 -13.5714 -13.5714 -13.5708 -13.5708 -12.9884 -12.9884 -12.9884 -12.9884 -12.2499 -12.2499 -12.2499 -12.2499 -8.3173 -8.3173 -8.3172 -8.3172 -4.2498 -4.2498 -4.2460 -4.2460 -4.1079 -4.1079 -4.1030 -4.1030 -3.9921 -3.9921 -3.9831 -3.9831 -1.7166 -1.7166 -1.7048 -1.7048 -1.6852 -1.6852 -1.6698 -1.6698 -1.5656 -1.5656 -1.5592 -1.5592 -1.0090 -1.0090 -1.0055 -1.0055 -0.4991 -0.4991 -0.4970 -0.4970 -0.2471 -0.2471 -0.2463 -0.2463 -0.2228 -0.2228 -0.2188 -0.2188 0.1469 0.1469 0.1479 0.1479 0.2634 0.2634 0.2642 0.2642 0.5518 0.5518 0.5551 0.5551 0.6366 0.6366 0.6398 0.6398 3.0500 3.0500 3.0502 3.0502 5.7956 5.7956 5.8142 5.8142 6.0258 6.0258 6.0444 6.0444 6.4230 6.4230 6.4240 6.4240 k = 0.5000 0.0384 0.4099 ( 11896 PWs) bands (ev): -15.5932 -15.5932 -15.5932 -15.5932 -13.7273 -13.7273 -13.7262 -13.7262 -13.5728 -13.5728 -13.5716 -13.5716 -12.9885 -12.9885 -12.9885 -12.9885 -12.2495 -12.2495 -12.2494 -12.2494 -8.3157 -8.3157 -8.3157 -8.3157 -4.2538 -4.2538 -4.2462 -4.2462 -4.1105 -4.1105 -4.1012 -4.1012 -3.9955 -3.9955 -3.9780 -3.9780 -1.7239 -1.7239 -1.7019 -1.7019 -1.6929 -1.6929 -1.6638 -1.6638 -1.5668 -1.5668 -1.5543 -1.5543 -1.0138 -1.0138 -1.0067 -1.0067 -0.4971 -0.4971 -0.4930 -0.4930 -0.2462 -0.2462 -0.2444 -0.2444 -0.2270 -0.2270 -0.2186 -0.2186 0.1473 0.1473 0.1492 0.1492 0.2631 0.2631 0.2647 0.2647 0.5496 0.5496 0.5562 0.5562 0.6336 0.6336 0.6401 0.6401 3.0542 3.0542 3.0547 3.0547 5.7896 5.7896 5.8274 5.8274 6.0163 6.0163 6.0537 6.0537 6.4240 6.4240 6.4260 6.4260 k = 0.5000 0.0576 0.4099 ( 11900 PWs) bands (ev): -15.5929 -15.5929 -15.5928 -15.5928 -13.7273 -13.7273 -13.7255 -13.7255 -13.5749 -13.5749 -13.5730 -13.5730 -12.9886 -12.9886 -12.9886 -12.9886 -12.2488 -12.2488 -12.2487 -12.2487 -8.3132 -8.3132 -8.3131 -8.3131 -4.2590 -4.2590 -4.2478 -4.2478 -4.1131 -4.1131 -4.0999 -4.0999 -3.9979 -3.9979 -3.9726 -3.9726 -1.7319 -1.7319 -1.7070 -1.7070 -1.6942 -1.6942 -1.6597 -1.6597 -1.5663 -1.5663 -1.5486 -1.5486 -1.0205 -1.0205 -1.0100 -1.0100 -0.4933 -0.4933 -0.4871 -0.4871 -0.2453 -0.2453 -0.2420 -0.2420 -0.2318 -0.2318 -0.2189 -0.2189 0.1482 0.1482 0.1511 0.1511 0.2628 0.2628 0.2652 0.2652 0.5472 0.5472 0.5571 0.5571 0.6298 0.6298 0.6396 0.6396 3.0613 3.0613 3.0620 3.0620 5.7855 5.7855 5.8428 5.8428 6.0066 6.0066 6.0635 6.0635 6.4261 6.4261 6.4291 6.4291 k = 0.5000 0.0767 0.4099 ( 11904 PWs) bands (ev): -15.5923 -15.5923 -15.5923 -15.5923 -13.7270 -13.7270 -13.7248 -13.7248 -13.5776 -13.5776 -13.5751 -13.5751 -12.9888 -12.9888 -12.9888 -12.9888 -12.2478 -12.2478 -12.2478 -12.2478 -8.3098 -8.3098 -8.3096 -8.3096 -4.2655 -4.2655 -4.2509 -4.2509 -4.1154 -4.1154 -4.0992 -4.0992 -3.9993 -3.9993 -3.9673 -3.9673 -1.7403 -1.7403 -1.7165 -1.7165 -1.6926 -1.6926 -1.6574 -1.6574 -1.5641 -1.5641 -1.5421 -1.5421 -1.0289 -1.0289 -1.0150 -1.0150 -0.4878 -0.4878 -0.4794 -0.4794 -0.2455 -0.2455 -0.2438 -0.2438 -0.2329 -0.2329 -0.2184 -0.2184 0.1498 0.1498 0.1534 0.1534 0.2625 0.2625 0.2655 0.2655 0.5444 0.5444 0.5576 0.5576 0.6252 0.6252 0.6383 0.6383 3.0710 3.0710 3.0720 3.0720 5.7826 5.7826 5.8601 5.8601 5.9974 5.9974 6.0743 6.0743 6.4292 6.4292 6.4331 6.4331 k = 0.5000 0.0959 0.4099 ( 11904 PWs) bands (ev): -15.5917 -15.5917 -15.5916 -15.5916 -13.7267 -13.7267 -13.7238 -13.7238 -13.5809 -13.5809 -13.5779 -13.5779 -12.9890 -12.9890 -12.9890 -12.9890 -12.2466 -12.2466 -12.2466 -12.2466 -8.3054 -8.3054 -8.3052 -8.3052 -4.2730 -4.2730 -4.2555 -4.2555 -4.1174 -4.1174 -4.0990 -4.0990 -3.9996 -3.9996 -3.9623 -3.9623 -1.7491 -1.7491 -1.7267 -1.7267 -1.6915 -1.6915 -1.6571 -1.6571 -1.5602 -1.5602 -1.5349 -1.5349 -1.0387 -1.0387 -1.0216 -1.0216 -0.4807 -0.4807 -0.4703 -0.4703 -0.2515 -0.2515 -0.2480 -0.2480 -0.2283 -0.2283 -0.2160 -0.2160 0.1519 0.1519 0.1562 0.1562 0.2621 0.2621 0.2657 0.2657 0.5413 0.5413 0.5578 0.5578 0.6199 0.6199 0.6363 0.6363 3.0832 3.0832 3.0845 3.0845 5.7804 5.7804 5.8775 5.8775 5.9902 5.9902 6.0865 6.0865 6.4331 6.4331 6.4379 6.4379 k = 0.5000 0.1151 0.4099 ( 11900 PWs) bands (ev): -15.5909 -15.5909 -15.5909 -15.5909 -13.7262 -13.7262 -13.7228 -13.7228 -13.5848 -13.5848 -13.5812 -13.5812 -12.9892 -12.9892 -12.9892 -12.9892 -12.2452 -12.2452 -12.2452 -12.2452 -8.3002 -8.3002 -8.3000 -8.3000 -4.2815 -4.2815 -4.2614 -4.2614 -4.1190 -4.1190 -4.0992 -4.0992 -3.9991 -3.9991 -3.9575 -3.9575 -1.7579 -1.7579 -1.7370 -1.7370 -1.6915 -1.6915 -1.6586 -1.6586 -1.5548 -1.5548 -1.5272 -1.5272 -1.0498 -1.0498 -1.0296 -1.0296 -0.4723 -0.4723 -0.4598 -0.4598 -0.2612 -0.2612 -0.2529 -0.2529 -0.2218 -0.2218 -0.2112 -0.2112 0.1544 0.1544 0.1593 0.1593 0.2617 0.2617 0.2657 0.2657 0.5380 0.5380 0.5577 0.5577 0.6140 0.6140 0.6337 0.6337 3.0977 3.0977 3.0993 3.0993 5.7783 5.7783 5.8916 5.8916 5.9882 5.9882 6.1007 6.1007 6.4379 6.4379 6.4434 6.4434 k = 0.5000 0.1343 0.4099 ( 11904 PWs) bands (ev): -15.5900 -15.5900 -15.5900 -15.5900 -13.7255 -13.7255 -13.7216 -13.7216 -13.5893 -13.5893 -13.5850 -13.5850 -12.9895 -12.9895 -12.9895 -12.9895 -12.2436 -12.2436 -12.2436 -12.2436 -8.2943 -8.2943 -8.2940 -8.2940 -4.2908 -4.2908 -4.2686 -4.2686 -4.1202 -4.1202 -4.0997 -4.0997 -3.9977 -3.9977 -3.9532 -3.9532 -1.7666 -1.7666 -1.7471 -1.7471 -1.6925 -1.6925 -1.6617 -1.6617 -1.5482 -1.5482 -1.5191 -1.5191 -1.0618 -1.0618 -1.0387 -1.0387 -0.4630 -0.4630 -0.4482 -0.4482 -0.2721 -0.2721 -0.2597 -0.2597 -0.2142 -0.2142 -0.2048 -0.2048 0.1575 0.1575 0.1626 0.1626 0.2610 0.2610 0.2653 0.2653 0.5345 0.5345 0.5574 0.5574 0.6077 0.6077 0.6305 0.6305 3.1143 3.1143 3.1161 3.1161 5.7757 5.7757 5.8976 5.8976 5.9963 5.9963 6.1172 6.1172 6.4434 6.4434 6.4496 6.4496 k = 0.5000 0.1535 0.4099 ( 11904 PWs) bands (ev): -15.5890 -15.5890 -15.5890 -15.5890 -13.7247 -13.7247 -13.7202 -13.7202 -13.5941 -13.5941 -13.5894 -13.5894 -12.9898 -12.9898 -12.9897 -12.9897 -12.2419 -12.2419 -12.2418 -12.2418 -8.2877 -8.2877 -8.2875 -8.2875 -4.3007 -4.3007 -4.2770 -4.2770 -4.1210 -4.1210 -4.1003 -4.1003 -3.9958 -3.9958 -3.9493 -3.9493 -1.7750 -1.7750 -1.7568 -1.7568 -1.6945 -1.6945 -1.6660 -1.6660 -1.5407 -1.5407 -1.5106 -1.5106 -1.0746 -1.0746 -1.0488 -1.0488 -0.4530 -0.4530 -0.4359 -0.4359 -0.2838 -0.2838 -0.2677 -0.2677 -0.2058 -0.2058 -0.1972 -0.1972 0.1608 0.1608 0.1662 0.1662 0.2602 0.2602 0.2644 0.2644 0.5308 0.5308 0.5567 0.5567 0.6010 0.6010 0.6269 0.6269 3.1325 3.1325 3.1346 3.1346 5.7723 5.7723 5.8938 5.8938 6.0159 6.0159 6.1363 6.1363 6.4494 6.4494 6.4563 6.4563 k = 0.5000 0.1727 0.4099 ( 11920 PWs) bands (ev): -15.5879 -15.5879 -15.5879 -15.5879 -13.7237 -13.7237 -13.7187 -13.7187 -13.5994 -13.5994 -13.5941 -13.5941 -12.9901 -12.9901 -12.9901 -12.9901 -12.2400 -12.2400 -12.2400 -12.2400 -8.2807 -8.2807 -8.2804 -8.2804 -4.3110 -4.3110 -4.2863 -4.2863 -4.1214 -4.1214 -4.1009 -4.1009 -3.9935 -3.9935 -3.9460 -3.9460 -1.7830 -1.7830 -1.7660 -1.7660 -1.6974 -1.6974 -1.6715 -1.6715 -1.5325 -1.5325 -1.5018 -1.5018 -1.0877 -1.0877 -1.0596 -1.0596 -0.4427 -0.4427 -0.4231 -0.4231 -0.2959 -0.2959 -0.2762 -0.2762 -0.1967 -0.1967 -0.1887 -0.1887 0.1645 0.1645 0.1698 0.1698 0.2590 0.2590 0.2631 0.2631 0.5271 0.5271 0.5557 0.5557 0.5941 0.5941 0.6229 0.6229 3.1521 3.1521 3.1545 3.1545 5.7677 5.7677 5.8832 5.8832 6.0436 6.0436 6.1579 6.1579 6.4560 6.4560 6.4635 6.4635 k = 0.5000 0.1918 0.4099 ( 11900 PWs) bands (ev): -15.5868 -15.5868 -15.5868 -15.5868 -13.7226 -13.7226 -13.7171 -13.7171 -13.6050 -13.6050 -13.5992 -13.5992 -12.9904 -12.9904 -12.9904 -12.9904 -12.2381 -12.2381 -12.2380 -12.2380 -8.2732 -8.2732 -8.2729 -8.2729 -4.3216 -4.3216 -4.2965 -4.2965 -4.1214 -4.1214 -4.1014 -4.1014 -3.9909 -3.9909 -3.9433 -3.9433 -1.7903 -1.7903 -1.7744 -1.7744 -1.7013 -1.7013 -1.6779 -1.6779 -1.5238 -1.5238 -1.4928 -1.4928 -1.1010 -1.1010 -1.0708 -1.0708 -0.4325 -0.4325 -0.4101 -0.4101 -0.3082 -0.3082 -0.2849 -0.2849 -0.1872 -0.1872 -0.1797 -0.1797 0.1684 0.1684 0.1733 0.1733 0.2575 0.2575 0.2612 0.2612 0.5234 0.5234 0.5545 0.5545 0.5873 0.5873 0.6187 0.6187 3.1728 3.1728 3.1754 3.1754 5.7620 5.7620 5.8690 5.8690 6.0759 6.0759 6.1818 6.1818 6.4630 6.4630 6.4710 6.4710 k = 0.5000 0.2110 0.4099 ( 11896 PWs) bands (ev): -15.5856 -15.5856 -15.5856 -15.5856 -13.7212 -13.7212 -13.7153 -13.7153 -13.6108 -13.6108 -13.6045 -13.6045 -12.9908 -12.9908 -12.9907 -12.9907 -12.2361 -12.2361 -12.2361 -12.2361 -8.2655 -8.2655 -8.2652 -8.2652 -4.3323 -4.3323 -4.3072 -4.3072 -4.1211 -4.1211 -4.1017 -4.1017 -3.9881 -3.9881 -3.9412 -3.9412 -1.7969 -1.7969 -1.7821 -1.7821 -1.7060 -1.7060 -1.6850 -1.6850 -1.5147 -1.5147 -1.4836 -1.4836 -1.1142 -1.1142 -1.0824 -1.0824 -0.4230 -0.4230 -0.3973 -0.3973 -0.3205 -0.3205 -0.2932 -0.2932 -0.1773 -0.1773 -0.1703 -0.1703 0.1723 0.1723 0.1767 0.1767 0.2558 0.2558 0.2588 0.2588 0.5199 0.5199 0.5530 0.5530 0.5807 0.5807 0.6142 0.6142 3.1941 3.1941 3.1969 3.1969 5.7552 5.7552 5.8529 5.8529 6.1109 6.1109 6.2077 6.2077 6.4703 6.4703 6.4787 6.4787 k = 0.5000 0.2302 0.4099 ( 11880 PWs) bands (ev): -15.5845 -15.5845 -15.5844 -15.5844 -13.7198 -13.7198 -13.7134 -13.7134 -13.6168 -13.6168 -13.6101 -13.6101 -12.9911 -12.9911 -12.9911 -12.9911 -12.2341 -12.2341 -12.2341 -12.2341 -8.2577 -8.2577 -8.2574 -8.2574 -4.3428 -4.3428 -4.3183 -4.3183 -4.1206 -4.1206 -4.1020 -4.1020 -3.9853 -3.9853 -3.9398 -3.9398 -1.8026 -1.8026 -1.7888 -1.7888 -1.7115 -1.7115 -1.6927 -1.6927 -1.5054 -1.5054 -1.4744 -1.4744 -1.1272 -1.1272 -1.0940 -1.0940 -0.4145 -0.4145 -0.3850 -0.3850 -0.3322 -0.3322 -0.3006 -0.3006 -0.1672 -0.1672 -0.1607 -0.1607 0.1761 0.1761 0.1797 0.1797 0.2538 0.2538 0.2559 0.2559 0.5167 0.5167 0.5512 0.5512 0.5744 0.5744 0.6096 0.6096 3.2157 3.2157 3.2187 3.2187 5.7475 5.7475 5.8359 5.8359 6.1473 6.1473 6.2350 6.2350 6.4779 6.4779 6.4866 6.4866 k = 0.5000 0.2494 0.4099 ( 11872 PWs) bands (ev): -15.5833 -15.5833 -15.5833 -15.5833 -13.7181 -13.7181 -13.7114 -13.7114 -13.6228 -13.6228 -13.6158 -13.6158 -12.9915 -12.9915 -12.9914 -12.9914 -12.2321 -12.2321 -12.2321 -12.2321 -8.2499 -8.2499 -8.2497 -8.2497 -4.3530 -4.3530 -4.3295 -4.3295 -4.1198 -4.1198 -4.1022 -4.1022 -3.9824 -3.9824 -3.9389 -3.9389 -1.8073 -1.8073 -1.7945 -1.7945 -1.7177 -1.7177 -1.7009 -1.7009 -1.4959 -1.4959 -1.4653 -1.4653 -1.1396 -1.1396 -1.1057 -1.1057 -0.4076 -0.4076 -0.3740 -0.3740 -0.3428 -0.3428 -0.3067 -0.3067 -0.1569 -0.1569 -0.1510 -0.1510 0.1798 0.1798 0.1822 0.1822 0.2517 0.2517 0.2526 0.2526 0.5139 0.5139 0.5492 0.5492 0.5686 0.5686 0.6048 0.6048 3.2372 3.2372 3.2402 3.2402 5.7391 5.7391 5.8184 5.8184 6.1840 6.1840 6.2628 6.2628 6.4857 6.4857 6.4947 6.4947 k = 0.5000 0.2686 0.4099 ( 11860 PWs) bands (ev): -15.5822 -15.5822 -15.5822 -15.5822 -13.7162 -13.7162 -13.7092 -13.7092 -13.6289 -13.6289 -13.6215 -13.6215 -12.9918 -12.9918 -12.9918 -12.9918 -12.2303 -12.2303 -12.2303 -12.2303 -8.2423 -8.2423 -8.2421 -8.2421 -4.3627 -4.3627 -4.3406 -4.3406 -4.1188 -4.1188 -4.1023 -4.1023 -3.9795 -3.9795 -3.9385 -3.9385 -1.8110 -1.8110 -1.7991 -1.7991 -1.7244 -1.7244 -1.7095 -1.7095 -1.4864 -1.4864 -1.4565 -1.4565 -1.1513 -1.1513 -1.1173 -1.1173 -0.4029 -0.4029 -0.3675 -0.3675 -0.3491 -0.3491 -0.3108 -0.3108 -0.1466 -0.1466 -0.1413 -0.1413 0.1830 0.1830 0.1841 0.1841 0.2491 0.2491 0.2495 0.2495 0.5115 0.5115 0.5469 0.5469 0.5635 0.5635 0.6000 0.6000 3.2582 3.2582 3.2613 3.2613 5.7305 5.7305 5.8009 5.8009 6.2203 6.2203 6.2905 6.2905 6.4937 6.4937 6.5027 6.5027 k = 0.5000 0.2878 0.4099 ( 11864 PWs) bands (ev): -15.5811 -15.5811 -15.5811 -15.5811 -13.7142 -13.7142 -13.7069 -13.7069 -13.6349 -13.6349 -13.6273 -13.6273 -12.9921 -12.9921 -12.9921 -12.9921 -12.2285 -12.2285 -12.2285 -12.2285 -8.2351 -8.2351 -8.2348 -8.2348 -4.3718 -4.3718 -4.3514 -4.3514 -4.1176 -4.1176 -4.1024 -4.1024 -3.9766 -3.9766 -3.9387 -3.9387 -1.8136 -1.8136 -1.8025 -1.8025 -1.7316 -1.7316 -1.7184 -1.7184 -1.4769 -1.4769 -1.4480 -1.4480 -1.1622 -1.1622 -1.1286 -1.1286 -0.4005 -0.4005 -0.3712 -0.3712 -0.3453 -0.3453 -0.3130 -0.3130 -0.1364 -0.1364 -0.1318 -0.1318 0.1853 0.1853 0.1856 0.1856 0.2456 0.2456 0.2475 0.2475 0.5097 0.5097 0.5443 0.5443 0.5594 0.5594 0.5951 0.5951 3.2783 3.2783 3.2813 3.2813 5.7219 5.7219 5.7839 5.7839 6.2551 6.2551 6.3171 6.3171 6.5019 6.5019 6.5107 6.5107 k = 0.5000 0.3070 0.4099 ( 11860 PWs) bands (ev): -15.5801 -15.5801 -15.5801 -15.5801 -13.7120 -13.7120 -13.7045 -13.7045 -13.6407 -13.6407 -13.6329 -13.6329 -12.9924 -12.9924 -12.9924 -12.9924 -12.2268 -12.2268 -12.2268 -12.2268 -8.2283 -8.2283 -8.2281 -8.2281 -4.3800 -4.3800 -4.3616 -4.3616 -4.1163 -4.1163 -4.1026 -4.1026 -3.9737 -3.9737 -3.9394 -3.9394 -1.8151 -1.8151 -1.8048 -1.8048 -1.7391 -1.7391 -1.7274 -1.7274 -1.4676 -1.4676 -1.4401 -1.4401 -1.1719 -1.1719 -1.1395 -1.1395 -0.4004 -0.4004 -0.3791 -0.3791 -0.3375 -0.3375 -0.3132 -0.3132 -0.1265 -0.1265 -0.1226 -0.1226 0.1856 0.1856 0.1873 0.1873 0.2424 0.2424 0.2457 0.2457 0.5086 0.5086 0.5412 0.5412 0.5563 0.5563 0.5903 0.5903 3.2971 3.2971 3.3000 3.3000 5.7138 5.7138 5.7675 5.7675 6.2879 6.2879 6.3418 6.3418 6.5102 6.5102 6.5186 6.5186 k = 0.5000 0.3261 0.4099 ( 11856 PWs) bands (ev): -15.5792 -15.5792 -15.5791 -15.5791 -13.7096 -13.7096 -13.7021 -13.7021 -13.6462 -13.6462 -13.6384 -13.6384 -12.9927 -12.9927 -12.9927 -12.9927 -12.2254 -12.2254 -12.2254 -12.2254 -8.2221 -8.2221 -8.2219 -8.2219 -4.3873 -4.3873 -4.3711 -4.3711 -4.1150 -4.1150 -4.1028 -4.1028 -3.9708 -3.9708 -3.9405 -3.9405 -1.8155 -1.8155 -1.8060 -1.8060 -1.7468 -1.7468 -1.7363 -1.7363 -1.4585 -1.4585 -1.4330 -1.4330 -1.1804 -1.1804 -1.1500 -1.1500 -0.4018 -0.4018 -0.3869 -0.3869 -0.3298 -0.3298 -0.3120 -0.3120 -0.1171 -0.1171 -0.1139 -0.1139 0.1851 0.1851 0.1880 0.1880 0.2399 0.2399 0.2442 0.2442 0.5081 0.5081 0.5378 0.5378 0.5543 0.5543 0.5854 0.5854 3.3144 3.3144 3.3171 3.3171 5.7064 5.7064 5.7521 5.7521 6.3178 6.3178 6.3638 6.3638 6.5186 6.5186 6.5263 6.5263 k = 0.5000 0.3453 0.4099 ( 11848 PWs) bands (ev): -15.5784 -15.5784 -15.5783 -15.5783 -13.7071 -13.7071 -13.6996 -13.6996 -13.6514 -13.6514 -13.6437 -13.6437 -12.9929 -12.9929 -12.9929 -12.9929 -12.2241 -12.2241 -12.2241 -12.2241 -8.2166 -8.2166 -8.2164 -8.2164 -4.3935 -4.3935 -4.3797 -4.3797 -4.1135 -4.1135 -4.1031 -4.1031 -3.9679 -3.9679 -3.9420 -3.9420 -1.8148 -1.8148 -1.8060 -1.8060 -1.7545 -1.7545 -1.7451 -1.7451 -1.4498 -1.4498 -1.4269 -1.4269 -1.1874 -1.1874 -1.1600 -1.1600 -0.4041 -0.4041 -0.3940 -0.3940 -0.3229 -0.3229 -0.3101 -0.3101 -0.1084 -0.1084 -0.1059 -0.1059 0.1841 0.1841 0.1877 0.1877 0.2382 0.2382 0.2430 0.2430 0.5082 0.5082 0.5342 0.5342 0.5534 0.5534 0.5807 0.5807 3.3296 3.3296 3.3320 3.3320 5.7002 5.7002 5.7380 5.7380 6.3443 6.3443 6.3823 6.3823 6.5270 6.5270 6.5336 6.5336 k = 0.5000 0.3645 0.4099 ( 11852 PWs) bands (ev): -15.5777 -15.5777 -15.5777 -15.5777 -13.7044 -13.7044 -13.6974 -13.6974 -13.6559 -13.6559 -13.6487 -13.6487 -12.9931 -12.9931 -12.9931 -12.9931 -12.2230 -12.2230 -12.2230 -12.2230 -8.2119 -8.2119 -8.2118 -8.2118 -4.3984 -4.3984 -4.3872 -4.3872 -4.1121 -4.1121 -4.1036 -4.1036 -3.9650 -3.9650 -3.9439 -3.9439 -1.8131 -1.8131 -1.8050 -1.8050 -1.7620 -1.7620 -1.7536 -1.7536 -1.4417 -1.4417 -1.4221 -1.4221 -1.1927 -1.1927 -1.1691 -1.1691 -0.4067 -0.4067 -0.4000 -0.4000 -0.3172 -0.3172 -0.3081 -0.3081 -0.1008 -0.1008 -0.0988 -0.0988 0.1827 0.1827 0.1864 0.1864 0.2373 0.2373 0.2421 0.2421 0.5089 0.5089 0.5306 0.5306 0.5534 0.5534 0.5762 0.5762 3.3426 3.3426 3.3447 3.3447 5.6953 5.6953 5.7254 5.7254 6.3668 6.3668 6.3969 6.3969 6.5350 6.5350 6.5404 6.5404 k = 0.5000 0.3837 0.4099 ( 11848 PWs) bands (ev): -15.5771 -15.5771 -15.5771 -15.5771 -13.7017 -13.7017 -13.6955 -13.6955 -13.6596 -13.6596 -13.6533 -13.6533 -12.9933 -12.9933 -12.9933 -12.9933 -12.2221 -12.2221 -12.2221 -12.2221 -8.2082 -8.2082 -8.2081 -8.2081 -4.4020 -4.4020 -4.3935 -4.3935 -4.1107 -4.1107 -4.1042 -4.1042 -3.9621 -3.9621 -3.9460 -3.9460 -1.8105 -1.8105 -1.8033 -1.8033 -1.7689 -1.7689 -1.7615 -1.7615 -1.4344 -1.4344 -1.4189 -1.4189 -1.1962 -1.1962 -1.1774 -1.1774 -0.4091 -0.4091 -0.4047 -0.4047 -0.3125 -0.3125 -0.3063 -0.3063 -0.0944 -0.0944 -0.0930 -0.0930 0.1813 0.1813 0.1845 0.1845 0.2372 0.2372 0.2413 0.2413 0.5102 0.5102 0.5269 0.5269 0.5542 0.5542 0.5718 0.5718 3.3531 3.3531 3.3547 3.3547 5.6920 5.6920 5.7145 5.7145 6.3851 6.3851 6.4074 6.4074 6.5422 6.5422 6.5461 6.5461 k = 0.5000 0.4029 0.4099 ( 11852 PWs) bands (ev): -15.5767 -15.5767 -15.5767 -15.5767 -13.6991 -13.6991 -13.6943 -13.6943 -13.6622 -13.6622 -13.6573 -13.6573 -12.9934 -12.9934 -12.9934 -12.9934 -12.2215 -12.2215 -12.2215 -12.2215 -8.2055 -8.2055 -8.2054 -8.2054 -4.4043 -4.4043 -4.3986 -4.3986 -4.1093 -4.1093 -4.1049 -4.1049 -3.9593 -3.9593 -3.9484 -3.9484 -1.8072 -1.8072 -1.8012 -1.8012 -1.7748 -1.7748 -1.7687 -1.7687 -1.4281 -1.4281 -1.4173 -1.4173 -1.1977 -1.1977 -1.1846 -1.1846 -0.4109 -0.4109 -0.4083 -0.4083 -0.3090 -0.3090 -0.3052 -0.3052 -0.0895 -0.0895 -0.0886 -0.0886 0.1802 0.1802 0.1826 0.1826 0.2376 0.2376 0.2406 0.2406 0.5121 0.5121 0.5234 0.5234 0.5557 0.5557 0.5677 0.5677 3.3608 3.3608 3.3619 3.3619 5.6906 5.6906 5.7056 5.7056 6.3991 6.3991 6.4138 6.4138 6.5480 6.5480 6.5505 6.5505 k = 0.5000 0.4221 0.4099 ( 11836 PWs) bands (ev): -15.5765 -15.5765 -15.5765 -15.5765 -13.6967 -13.6967 -13.6940 -13.6940 -13.6632 -13.6632 -13.6605 -13.6605 -12.9935 -12.9935 -12.9935 -12.9935 -12.2211 -12.2211 -12.2211 -12.2211 -8.2038 -8.2038 -8.2038 -8.2038 -4.4050 -4.4050 -4.4022 -4.4022 -4.1081 -4.1081 -4.1058 -4.1058 -3.9564 -3.9564 -3.9509 -3.9509 -1.8036 -1.8036 -1.7998 -1.7998 -1.7784 -1.7784 -1.7746 -1.7746 -1.4231 -1.4231 -1.4175 -1.4175 -1.1971 -1.1971 -1.1904 -1.1904 -0.4118 -0.4118 -0.4106 -0.4106 -0.3066 -0.3066 -0.3047 -0.3047 -0.0864 -0.0864 -0.0860 -0.0860 0.1797 0.1797 0.1809 0.1809 0.2383 0.2383 0.2398 0.2398 0.5144 0.5144 0.5201 0.5201 0.5579 0.5579 0.5640 0.5640 3.3656 3.3656 3.3662 3.3662 5.6912 5.6912 5.6987 5.6987 6.4089 6.4089 6.4162 6.4162 6.5519 6.5519 6.5532 6.5532 k = 0.5000 0.4413 0.4099 ( 11840 PWs) bands (ev): -15.5764 -15.5764 -15.5764 -15.5764 -13.6949 -13.6949 -13.6949 -13.6949 -13.6626 -13.6626 -13.6626 -13.6626 -12.9935 -12.9935 -12.9935 -12.9935 -12.2209 -12.2209 -12.2209 -12.2209 -8.2033 -8.2033 -8.2033 -8.2033 -4.4043 -4.4043 -4.4043 -4.4043 -4.1069 -4.1069 -4.1069 -4.1069 -3.9536 -3.9536 -3.9536 -3.9536 -1.8007 -1.8007 -1.8007 -1.8007 -1.7783 -1.7783 -1.7783 -1.7783 -1.4195 -1.4195 -1.4195 -1.4195 -1.1947 -1.1947 -1.1947 -1.1947 -0.4118 -0.4118 -0.4118 -0.4118 -0.3052 -0.3052 -0.3052 -0.3052 -0.0853 -0.0853 -0.0853 -0.0853 0.1799 0.1799 0.1799 0.1799 0.2391 0.2391 0.2391 0.2391 0.5171 0.5171 0.5171 0.5171 0.5607 0.5607 0.5607 0.5607 3.3675 3.3675 3.3675 3.3675 5.6938 5.6938 5.6938 5.6938 6.4146 6.4146 6.4146 6.4146 6.5537 6.5537 6.5537 6.5537 k = 0.5000 0.4413 0.4099 ( 11840 PWs) bands (ev): -15.5764 -15.5764 -15.5764 -15.5764 -13.6949 -13.6949 -13.6949 -13.6949 -13.6626 -13.6626 -13.6626 -13.6626 -12.9935 -12.9935 -12.9935 -12.9935 -12.2209 -12.2209 -12.2209 -12.2209 -8.2033 -8.2033 -8.2033 -8.2033 -4.4043 -4.4043 -4.4043 -4.4043 -4.1069 -4.1069 -4.1069 -4.1069 -3.9536 -3.9536 -3.9536 -3.9536 -1.8007 -1.8007 -1.8007 -1.8007 -1.7783 -1.7783 -1.7783 -1.7783 -1.4195 -1.4195 -1.4195 -1.4195 -1.1947 -1.1947 -1.1947 -1.1947 -0.4118 -0.4118 -0.4118 -0.4118 -0.3052 -0.3052 -0.3052 -0.3052 -0.0853 -0.0853 -0.0853 -0.0853 0.1799 0.1799 0.1799 0.1799 0.2391 0.2391 0.2391 0.2391 0.5171 0.5171 0.5171 0.5171 0.5607 0.5607 0.5607 0.5607 3.3675 3.3675 3.3675 3.3675 5.6938 5.6938 5.6938 5.6938 6.4146 6.4146 6.4146 6.4146 6.5537 6.5537 6.5537 6.5537 k = 0.4808 0.4413 0.4099 ( 11828 PWs) bands (ev): -15.5765 -15.5765 -15.5765 -15.5765 -13.6945 -13.6945 -13.6945 -13.6945 -13.6626 -13.6626 -13.6626 -13.6626 -12.9934 -12.9934 -12.9934 -12.9934 -12.2211 -12.2211 -12.2211 -12.2211 -8.2035 -8.2035 -8.2035 -8.2035 -4.4041 -4.4041 -4.4041 -4.4041 -4.1071 -4.1071 -4.1071 -4.1071 -3.9546 -3.9546 -3.9546 -3.9546 -1.7999 -1.7999 -1.7999 -1.7999 -1.7777 -1.7777 -1.7777 -1.7777 -1.4191 -1.4191 -1.4191 -1.4191 -1.1937 -1.1937 -1.1937 -1.1937 -0.4130 -0.4130 -0.4130 -0.4130 -0.3051 -0.3051 -0.3051 -0.3051 -0.0864 -0.0864 -0.0864 -0.0864 0.1801 0.1801 0.1801 0.1801 0.2396 0.2396 0.2396 0.2396 0.5171 0.5171 0.5171 0.5171 0.5608 0.5608 0.5608 0.5608 3.3677 3.3677 3.3677 3.3677 5.6945 5.6945 5.6945 5.6945 6.4145 6.4145 6.4145 6.4145 6.5537 6.5537 6.5537 6.5537 k = 0.4615 0.4413 0.4099 ( 11856 PWs) bands (ev): -15.5770 -15.5770 -15.5770 -15.5770 -13.6933 -13.6933 -13.6933 -13.6933 -13.6626 -13.6626 -13.6626 -13.6626 -12.9934 -12.9934 -12.9934 -12.9934 -12.2215 -12.2215 -12.2215 -12.2215 -8.2044 -8.2044 -8.2044 -8.2044 -4.4033 -4.4033 -4.4033 -4.4033 -4.1077 -4.1077 -4.1077 -4.1077 -3.9575 -3.9575 -3.9575 -3.9575 -1.7977 -1.7977 -1.7977 -1.7977 -1.7758 -1.7758 -1.7758 -1.7758 -1.4180 -1.4180 -1.4180 -1.4180 -1.1909 -1.1909 -1.1909 -1.1909 -0.4166 -0.4166 -0.4166 -0.4166 -0.3047 -0.3047 -0.3047 -0.3047 -0.0899 -0.0899 -0.0899 -0.0899 0.1804 0.1804 0.1804 0.1804 0.2410 0.2410 0.2410 0.2410 0.5171 0.5171 0.5171 0.5171 0.5610 0.5610 0.5610 0.5610 3.3684 3.3684 3.3684 3.3684 5.6963 5.6963 5.6963 5.6963 6.4144 6.4144 6.4144 6.4144 6.5538 6.5538 6.5538 6.5538 k = 0.4423 0.4413 0.4099 ( 11852 PWs) bands (ev): -15.5778 -15.5778 -15.5778 -15.5778 -13.6914 -13.6914 -13.6914 -13.6914 -13.6626 -13.6626 -13.6626 -13.6626 -12.9932 -12.9932 -12.9932 -12.9932 -12.2221 -12.2221 -12.2221 -12.2221 -8.2057 -8.2057 -8.2057 -8.2057 -4.4021 -4.4021 -4.4021 -4.4021 -4.1087 -4.1087 -4.1087 -4.1087 -3.9621 -3.9621 -3.9621 -3.9621 -1.7940 -1.7940 -1.7940 -1.7940 -1.7727 -1.7727 -1.7727 -1.7727 -1.4162 -1.4162 -1.4162 -1.4162 -1.1861 -1.1861 -1.1861 -1.1861 -0.4226 -0.4226 -0.4226 -0.4226 -0.3040 -0.3040 -0.3040 -0.3040 -0.0955 -0.0955 -0.0955 -0.0955 0.1810 0.1810 0.1810 0.1810 0.2433 0.2433 0.2433 0.2433 0.5169 0.5169 0.5169 0.5169 0.5614 0.5614 0.5614 0.5614 3.3696 3.3696 3.3696 3.3696 5.6995 5.6995 5.6995 5.6995 6.4142 6.4142 6.4142 6.4142 6.5539 6.5539 6.5539 6.5539 k = 0.4231 0.4413 0.4099 ( 11840 PWs) bands (ev): -15.5788 -15.5788 -15.5788 -15.5788 -13.6887 -13.6887 -13.6887 -13.6887 -13.6627 -13.6627 -13.6627 -13.6627 -12.9930 -12.9930 -12.9930 -12.9930 -12.2231 -12.2231 -12.2231 -12.2231 -8.2075 -8.2075 -8.2075 -8.2075 -4.4003 -4.4003 -4.4003 -4.4003 -4.1101 -4.1101 -4.1101 -4.1101 -3.9686 -3.9686 -3.9686 -3.9686 -1.7891 -1.7891 -1.7891 -1.7891 -1.7684 -1.7684 -1.7684 -1.7684 -1.4136 -1.4136 -1.4136 -1.4136 -1.1795 -1.1795 -1.1795 -1.1795 -0.4310 -0.4310 -0.4310 -0.4310 -0.3029 -0.3029 -0.3029 -0.3029 -0.1031 -0.1031 -0.1031 -0.1031 0.1815 0.1815 0.1815 0.1815 0.2465 0.2465 0.2465 0.2465 0.5167 0.5167 0.5167 0.5167 0.5620 0.5620 0.5620 0.5620 3.3713 3.3713 3.3713 3.3713 5.7038 5.7038 5.7038 5.7038 6.4138 6.4138 6.4138 6.4138 6.5541 6.5541 6.5541 6.5541 k = 0.4038 0.4413 0.4099 ( 11836 PWs) bands (ev): -15.5802 -15.5802 -15.5802 -15.5802 -13.6854 -13.6854 -13.6854 -13.6854 -13.6627 -13.6627 -13.6627 -13.6627 -12.9927 -12.9927 -12.9927 -12.9927 -12.2242 -12.2242 -12.2242 -12.2242 -8.2099 -8.2099 -8.2099 -8.2099 -4.3981 -4.3981 -4.3981 -4.3981 -4.1119 -4.1119 -4.1119 -4.1119 -3.9765 -3.9765 -3.9765 -3.9765 -1.7830 -1.7830 -1.7830 -1.7830 -1.7630 -1.7630 -1.7630 -1.7630 -1.4102 -1.4102 -1.4102 -1.4102 -1.1711 -1.1711 -1.1711 -1.1711 -0.4416 -0.4416 -0.4416 -0.4416 -0.3016 -0.3016 -0.3016 -0.3016 -0.1123 -0.1123 -0.1123 -0.1123 0.1820 0.1820 0.1820 0.1820 0.2505 0.2505 0.2505 0.2505 0.5162 0.5162 0.5162 0.5162 0.5629 0.5629 0.5629 0.5629 3.3734 3.3734 3.3734 3.3734 5.7093 5.7093 5.7093 5.7093 6.4133 6.4133 6.4133 6.4133 6.5543 6.5543 6.5543 6.5543 k = 0.3846 0.4413 0.4099 ( 11856 PWs) bands (ev): -15.5818 -15.5818 -15.5818 -15.5818 -13.6816 -13.6816 -13.6816 -13.6816 -13.6625 -13.6625 -13.6625 -13.6625 -12.9924 -12.9924 -12.9924 -12.9924 -12.2256 -12.2256 -12.2256 -12.2256 -8.2127 -8.2127 -8.2127 -8.2127 -4.3955 -4.3955 -4.3955 -4.3955 -4.1141 -4.1141 -4.1141 -4.1141 -3.9859 -3.9859 -3.9859 -3.9859 -1.7761 -1.7761 -1.7761 -1.7761 -1.7564 -1.7564 -1.7564 -1.7564 -1.4060 -1.4060 -1.4060 -1.4060 -1.1611 -1.1611 -1.1611 -1.1611 -0.4544 -0.4544 -0.4544 -0.4544 -0.3000 -0.3000 -0.3000 -0.3000 -0.1230 -0.1230 -0.1230 -0.1230 0.1823 0.1823 0.1823 0.1823 0.2551 0.2551 0.2551 0.2551 0.5154 0.5154 0.5154 0.5154 0.5641 0.5641 0.5641 0.5641 3.3760 3.3760 3.3760 3.3760 5.7159 5.7159 5.7159 5.7159 6.4127 6.4127 6.4127 6.4127 6.5544 6.5544 6.5544 6.5544 k = 0.3654 0.4413 0.4099 ( 11856 PWs) bands (ev): -15.5836 -15.5836 -15.5836 -15.5836 -13.6776 -13.6776 -13.6776 -13.6776 -13.6620 -13.6620 -13.6620 -13.6620 -12.9920 -12.9920 -12.9920 -12.9920 -12.2272 -12.2272 -12.2272 -12.2272 -8.2159 -8.2159 -8.2159 -8.2159 -4.3924 -4.3924 -4.3924 -4.3924 -4.1166 -4.1166 -4.1166 -4.1166 -3.9965 -3.9965 -3.9965 -3.9965 -1.7685 -1.7685 -1.7685 -1.7685 -1.7488 -1.7488 -1.7488 -1.7488 -1.4009 -1.4009 -1.4009 -1.4009 -1.1494 -1.1494 -1.1494 -1.1494 -0.4692 -0.4692 -0.4692 -0.4692 -0.2981 -0.2981 -0.2981 -0.2981 -0.1347 -0.1347 -0.1347 -0.1347 0.1822 0.1822 0.1822 0.1822 0.2602 0.2602 0.2602 0.2602 0.5143 0.5143 0.5143 0.5143 0.5656 0.5656 0.5656 0.5656 3.3790 3.3790 3.3790 3.3790 5.7237 5.7237 5.7237 5.7237 6.4119 6.4119 6.4119 6.4119 6.5545 6.5545 6.5545 6.5545 k = 0.3462 0.4413 0.4099 ( 11852 PWs) bands (ev): -15.5856 -15.5856 -15.5856 -15.5856 -13.6738 -13.6738 -13.6738 -13.6738 -13.6607 -13.6607 -13.6607 -13.6607 -12.9916 -12.9916 -12.9916 -12.9916 -12.2290 -12.2290 -12.2290 -12.2290 -8.2194 -8.2194 -8.2194 -8.2194 -4.3889 -4.3889 -4.3889 -4.3889 -4.1195 -4.1195 -4.1195 -4.1195 -4.0081 -4.0081 -4.0081 -4.0081 -1.7605 -1.7605 -1.7605 -1.7605 -1.7404 -1.7404 -1.7404 -1.7404 -1.3950 -1.3950 -1.3950 -1.3950 -1.1363 -1.1363 -1.1363 -1.1363 -0.4858 -0.4858 -0.4858 -0.4858 -0.2959 -0.2959 -0.2959 -0.2959 -0.1473 -0.1473 -0.1473 -0.1473 0.1819 0.1819 0.1819 0.1819 0.2656 0.2656 0.2656 0.2656 0.5130 0.5130 0.5130 0.5130 0.5674 0.5674 0.5674 0.5674 3.3825 3.3825 3.3825 3.3825 5.7324 5.7324 5.7324 5.7324 6.4110 6.4110 6.4110 6.4110 6.5544 6.5544 6.5544 6.5544 k = 0.3269 0.4413 0.4099 ( 11860 PWs) bands (ev): -15.5878 -15.5878 -15.5878 -15.5878 -13.6710 -13.6710 -13.6710 -13.6710 -13.6580 -13.6580 -13.6580 -13.6580 -12.9912 -12.9912 -12.9912 -12.9912 -12.2309 -12.2309 -12.2309 -12.2309 -8.2233 -8.2233 -8.2233 -8.2233 -4.3851 -4.3851 -4.3851 -4.3851 -4.1228 -4.1228 -4.1228 -4.1228 -4.0203 -4.0203 -4.0203 -4.0203 -1.7521 -1.7521 -1.7521 -1.7521 -1.7312 -1.7312 -1.7312 -1.7312 -1.3880 -1.3880 -1.3880 -1.3880 -1.1219 -1.1219 -1.1219 -1.1219 -0.5042 -0.5042 -0.5042 -0.5042 -0.2936 -0.2936 -0.2936 -0.2936 -0.1604 -0.1604 -0.1604 -0.1604 0.1813 0.1813 0.1813 0.1813 0.2712 0.2712 0.2712 0.2712 0.5114 0.5114 0.5114 0.5114 0.5693 0.5693 0.5693 0.5693 3.3863 3.3863 3.3863 3.3863 5.7421 5.7421 5.7421 5.7421 6.4098 6.4098 6.4098 6.4098 6.5543 6.5543 6.5543 6.5543 k = 0.3077 0.4413 0.4099 ( 11868 PWs) bands (ev): -15.5901 -15.5901 -15.5901 -15.5901 -13.6696 -13.6696 -13.6696 -13.6696 -13.6535 -13.6535 -13.6535 -13.6535 -12.9907 -12.9907 -12.9907 -12.9907 -12.2331 -12.2331 -12.2331 -12.2331 -8.2274 -8.2274 -8.2274 -8.2274 -4.3809 -4.3809 -4.3809 -4.3809 -4.1265 -4.1265 -4.1265 -4.1265 -4.0331 -4.0331 -4.0331 -4.0331 -1.7436 -1.7436 -1.7436 -1.7436 -1.7215 -1.7215 -1.7215 -1.7215 -1.3800 -1.3800 -1.3800 -1.3800 -1.1063 -1.1063 -1.1063 -1.1063 -0.5241 -0.5241 -0.5241 -0.5241 -0.2911 -0.2911 -0.2911 -0.2911 -0.1739 -0.1739 -0.1739 -0.1739 0.1803 0.1803 0.1803 0.1803 0.2768 0.2768 0.2768 0.2768 0.5096 0.5096 0.5096 0.5096 0.5713 0.5713 0.5713 0.5713 3.3905 3.3905 3.3905 3.3905 5.7526 5.7526 5.7526 5.7526 6.4085 6.4085 6.4085 6.4085 6.5539 6.5539 6.5539 6.5539 k = 0.2885 0.4413 0.4099 ( 11864 PWs) bands (ev): -15.5925 -15.5925 -15.5925 -15.5925 -13.6691 -13.6691 -13.6691 -13.6691 -13.6478 -13.6478 -13.6478 -13.6478 -12.9902 -12.9902 -12.9902 -12.9902 -12.2353 -12.2353 -12.2353 -12.2353 -8.2318 -8.2318 -8.2318 -8.2318 -4.3764 -4.3764 -4.3764 -4.3764 -4.1306 -4.1306 -4.1306 -4.1306 -4.0461 -4.0461 -4.0461 -4.0461 -1.7351 -1.7351 -1.7351 -1.7351 -1.7116 -1.7116 -1.7116 -1.7116 -1.3710 -1.3710 -1.3710 -1.3710 -1.0899 -1.0899 -1.0899 -1.0899 -0.5454 -0.5454 -0.5454 -0.5454 -0.2886 -0.2886 -0.2886 -0.2886 -0.1874 -0.1874 -0.1874 -0.1874 0.1789 0.1789 0.1789 0.1789 0.2824 0.2824 0.2824 0.2824 0.5078 0.5078 0.5078 0.5078 0.5734 0.5734 0.5734 0.5734 3.3950 3.3950 3.3950 3.3950 5.7638 5.7638 5.7638 5.7638 6.4070 6.4070 6.4070 6.4070 6.5534 6.5534 6.5534 6.5534 k = 0.2692 0.4413 0.4099 ( 11872 PWs) bands (ev): -15.5949 -15.5949 -15.5949 -15.5949 -13.6691 -13.6691 -13.6691 -13.6691 -13.6415 -13.6415 -13.6415 -13.6415 -12.9897 -12.9897 -12.9897 -12.9897 -12.2376 -12.2376 -12.2376 -12.2376 -8.2362 -8.2362 -8.2362 -8.2362 -4.3718 -4.3718 -4.3718 -4.3718 -4.1350 -4.1350 -4.1350 -4.1350 -4.0591 -4.0591 -4.0591 -4.0591 -1.7267 -1.7267 -1.7267 -1.7267 -1.7016 -1.7016 -1.7016 -1.7016 -1.3607 -1.3607 -1.3607 -1.3607 -1.0727 -1.0727 -1.0727 -1.0727 -0.5678 -0.5678 -0.5678 -0.5678 -0.2860 -0.2860 -0.2860 -0.2860 -0.2009 -0.2009 -0.2009 -0.2009 0.1772 0.1772 0.1772 0.1772 0.2878 0.2878 0.2878 0.2878 0.5061 0.5061 0.5061 0.5061 0.5754 0.5754 0.5754 0.5754 3.3998 3.3998 3.3998 3.3998 5.7756 5.7756 5.7756 5.7756 6.4053 6.4053 6.4053 6.4053 6.5526 6.5526 6.5526 6.5526 k = 0.2500 0.4413 0.4099 ( 11880 PWs) bands (ev): -15.5974 -15.5974 -15.5974 -15.5974 -13.6692 -13.6692 -13.6692 -13.6692 -13.6348 -13.6348 -13.6348 -13.6348 -12.9892 -12.9892 -12.9892 -12.9892 -12.2400 -12.2400 -12.2400 -12.2400 -8.2408 -8.2408 -8.2408 -8.2408 -4.3669 -4.3669 -4.3669 -4.3669 -4.1398 -4.1398 -4.1398 -4.1398 -4.0718 -4.0718 -4.0718 -4.0718 -1.7185 -1.7185 -1.7185 -1.7185 -1.6917 -1.6917 -1.6917 -1.6917 -1.3493 -1.3493 -1.3493 -1.3493 -1.0550 -1.0550 -1.0550 -1.0550 -0.5913 -0.5913 -0.5913 -0.5913 -0.2836 -0.2836 -0.2836 -0.2836 -0.2141 -0.2141 -0.2141 -0.2141 0.1751 0.1751 0.1751 0.1751 0.2931 0.2931 0.2931 0.2931 0.5044 0.5044 0.5044 0.5044 0.5773 0.5773 0.5773 0.5773 3.4049 3.4049 3.4049 3.4049 5.7878 5.7878 5.7878 5.7878 6.4034 6.4034 6.4034 6.4034 6.5516 6.5516 6.5516 6.5516 k = 0.2308 0.4413 0.4099 ( 11884 PWs) bands (ev): -15.5999 -15.5999 -15.5999 -15.5999 -13.6695 -13.6695 -13.6695 -13.6695 -13.6281 -13.6281 -13.6281 -13.6281 -12.9887 -12.9887 -12.9887 -12.9887 -12.2424 -12.2424 -12.2424 -12.2424 -8.2453 -8.2453 -8.2453 -8.2453 -4.3619 -4.3619 -4.3619 -4.3619 -4.1450 -4.1450 -4.1450 -4.1450 -4.0840 -4.0840 -4.0840 -4.0840 -1.7107 -1.7107 -1.7107 -1.7107 -1.6821 -1.6821 -1.6821 -1.6821 -1.3366 -1.3366 -1.3366 -1.3366 -1.0372 -1.0372 -1.0372 -1.0372 -0.6156 -0.6156 -0.6156 -0.6156 -0.2813 -0.2813 -0.2813 -0.2813 -0.2267 -0.2267 -0.2267 -0.2267 0.1727 0.1727 0.1727 0.1727 0.2980 0.2980 0.2980 0.2980 0.5029 0.5029 0.5029 0.5029 0.5791 0.5791 0.5791 0.5791 3.4100 3.4100 3.4100 3.4100 5.8002 5.8002 5.8002 5.8002 6.4014 6.4014 6.4014 6.4014 6.5505 6.5505 6.5505 6.5505 k = 0.2115 0.4413 0.4099 ( 11892 PWs) bands (ev): -15.6024 -15.6024 -15.6024 -15.6024 -13.6699 -13.6699 -13.6699 -13.6699 -13.6213 -13.6213 -13.6213 -13.6213 -12.9882 -12.9882 -12.9882 -12.9882 -12.2448 -12.2448 -12.2448 -12.2448 -8.2498 -8.2498 -8.2498 -8.2498 -4.3569 -4.3569 -4.3569 -4.3569 -4.1505 -4.1505 -4.1505 -4.1505 -4.0954 -4.0954 -4.0954 -4.0954 -1.7033 -1.7033 -1.7033 -1.7033 -1.6729 -1.6729 -1.6729 -1.6729 -1.3228 -1.3228 -1.3228 -1.3228 -1.0194 -1.0194 -1.0194 -1.0194 -0.6405 -0.6405 -0.6405 -0.6405 -0.2792 -0.2792 -0.2792 -0.2792 -0.2387 -0.2387 -0.2387 -0.2387 0.1700 0.1700 0.1700 0.1700 0.3025 0.3025 0.3025 0.3025 0.5017 0.5017 0.5017 0.5017 0.5806 0.5806 0.5806 0.5806 3.4153 3.4153 3.4153 3.4153 5.8127 5.8127 5.8127 5.8127 6.3993 6.3993 6.3993 6.3993 6.5491 6.5491 6.5491 6.5491 k = 0.1923 0.4413 0.4099 ( 11900 PWs) bands (ev): -15.6047 -15.6047 -15.6047 -15.6047 -13.6702 -13.6702 -13.6702 -13.6702 -13.6147 -13.6147 -13.6147 -13.6147 -12.9877 -12.9877 -12.9877 -12.9877 -12.2472 -12.2472 -12.2472 -12.2472 -8.2542 -8.2542 -8.2542 -8.2542 -4.3519 -4.3519 -4.3519 -4.3519 -4.1564 -4.1564 -4.1564 -4.1564 -4.1059 -4.1059 -4.1059 -4.1059 -1.6965 -1.6965 -1.6965 -1.6965 -1.6642 -1.6642 -1.6642 -1.6642 -1.3077 -1.3077 -1.3077 -1.3077 -1.0019 -1.0019 -1.0019 -1.0019 -0.6659 -0.6659 -0.6659 -0.6659 -0.2775 -0.2775 -0.2775 -0.2775 -0.2497 -0.2497 -0.2497 -0.2497 0.1670 0.1670 0.1670 0.1670 0.3068 0.3068 0.3068 0.3068 0.5007 0.5007 0.5007 0.5007 0.5820 0.5820 0.5820 0.5820 3.4205 3.4205 3.4205 3.4205 5.8250 5.8250 5.8250 5.8250 6.3971 6.3971 6.3971 6.3971 6.5475 6.5475 6.5475 6.5475 k = 0.1731 0.4413 0.4099 ( 11912 PWs) bands (ev): -15.6069 -15.6069 -15.6069 -15.6069 -13.6706 -13.6706 -13.6706 -13.6706 -13.6083 -13.6083 -13.6083 -13.6083 -12.9873 -12.9873 -12.9873 -12.9873 -12.2494 -12.2494 -12.2494 -12.2494 -8.2583 -8.2583 -8.2583 -8.2583 -4.3469 -4.3469 -4.3469 -4.3469 -4.1625 -4.1625 -4.1625 -4.1625 -4.1154 -4.1154 -4.1154 -4.1154 -1.6903 -1.6903 -1.6903 -1.6903 -1.6562 -1.6562 -1.6562 -1.6562 -1.2916 -1.2916 -1.2916 -1.2916 -0.9851 -0.9851 -0.9851 -0.9851 -0.6915 -0.6915 -0.6915 -0.6915 -0.2764 -0.2764 -0.2764 -0.2764 -0.2595 -0.2595 -0.2595 -0.2595 0.1639 0.1639 0.1639 0.1639 0.3106 0.3106 0.3106 0.3106 0.5000 0.5000 0.5000 0.5000 0.5832 0.5832 0.5832 0.5832 3.4257 3.4257 3.4257 3.4257 5.8370 5.8370 5.8370 5.8370 6.3948 6.3948 6.3948 6.3948 6.5459 6.5459 6.5459 6.5459 k = 0.1538 0.4413 0.4099 ( 11924 PWs) bands (ev): -15.6090 -15.6090 -15.6090 -15.6090 -13.6710 -13.6710 -13.6710 -13.6710 -13.6023 -13.6023 -13.6023 -13.6023 -12.9868 -12.9868 -12.9868 -12.9868 -12.2516 -12.2516 -12.2516 -12.2516 -8.2622 -8.2622 -8.2622 -8.2622 -4.3422 -4.3422 -4.3422 -4.3422 -4.1688 -4.1688 -4.1688 -4.1688 -4.1238 -4.1238 -4.1238 -4.1238 -1.6848 -1.6848 -1.6848 -1.6848 -1.6489 -1.6489 -1.6489 -1.6489 -1.2747 -1.2747 -1.2747 -1.2747 -0.9691 -0.9691 -0.9691 -0.9691 -0.7170 -0.7170 -0.7170 -0.7170 -0.2775 -0.2775 -0.2775 -0.2775 -0.2664 -0.2664 -0.2664 -0.2664 0.1607 0.1607 0.1607 0.1607 0.3140 0.3140 0.3140 0.3140 0.4995 0.4995 0.4995 0.4995 0.5842 0.5842 0.5842 0.5842 3.4307 3.4307 3.4307 3.4307 5.8485 5.8485 5.8485 5.8485 6.3926 6.3926 6.3926 6.3926 6.5441 6.5441 6.5441 6.5441 k = 0.1346 0.4413 0.4099 ( 11904 PWs) bands (ev): -15.6109 -15.6109 -15.6109 -15.6109 -13.6713 -13.6713 -13.6713 -13.6713 -13.5968 -13.5968 -13.5968 -13.5968 -12.9864 -12.9864 -12.9864 -12.9864 -12.2536 -12.2536 -12.2536 -12.2536 -8.2658 -8.2658 -8.2658 -8.2658 -4.3377 -4.3377 -4.3377 -4.3377 -4.1748 -4.1748 -4.1748 -4.1748 -4.1311 -4.1311 -4.1311 -4.1311 -1.6799 -1.6799 -1.6799 -1.6799 -1.6424 -1.6424 -1.6424 -1.6424 -1.2571 -1.2571 -1.2571 -1.2571 -0.9543 -0.9543 -0.9543 -0.9543 -0.7422 -0.7422 -0.7422 -0.7422 -0.2824 -0.2824 -0.2824 -0.2824 -0.2686 -0.2686 -0.2686 -0.2686 0.1576 0.1576 0.1576 0.1576 0.3170 0.3170 0.3170 0.3170 0.4992 0.4992 0.4992 0.4992 0.5851 0.5851 0.5851 0.5851 3.4354 3.4354 3.4354 3.4354 5.8592 5.8592 5.8592 5.8592 6.3905 6.3905 6.3905 6.3905 6.5424 6.5424 6.5424 6.5424 k = 0.1154 0.4413 0.4099 ( 11904 PWs) bands (ev): -15.6127 -15.6127 -15.6127 -15.6127 -13.6716 -13.6716 -13.6716 -13.6716 -13.5918 -13.5918 -13.5918 -13.5918 -12.9861 -12.9861 -12.9861 -12.9861 -12.2554 -12.2554 -12.2554 -12.2554 -8.2691 -8.2691 -8.2691 -8.2691 -4.3336 -4.3336 -4.3336 -4.3336 -4.1806 -4.1806 -4.1806 -4.1806 -4.1374 -4.1374 -4.1374 -4.1374 -1.6758 -1.6758 -1.6758 -1.6758 -1.6366 -1.6366 -1.6366 -1.6366 -1.2394 -1.2394 -1.2394 -1.2394 -0.9410 -0.9410 -0.9410 -0.9410 -0.7665 -0.7665 -0.7665 -0.7665 -0.2889 -0.2889 -0.2889 -0.2889 -0.2685 -0.2685 -0.2685 -0.2685 0.1545 0.1545 0.1545 0.1545 0.3196 0.3196 0.3196 0.3196 0.4992 0.4992 0.4992 0.4992 0.5858 0.5858 0.5858 0.5858 3.4396 3.4396 3.4396 3.4396 5.8689 5.8689 5.8689 5.8689 6.3886 6.3886 6.3886 6.3886 6.5406 6.5406 6.5406 6.5406 k = 0.0962 0.4413 0.4099 ( 11900 PWs) bands (ev): -15.6141 -15.6141 -15.6141 -15.6141 -13.6719 -13.6719 -13.6719 -13.6719 -13.5874 -13.5874 -13.5874 -13.5874 -12.9858 -12.9858 -12.9858 -12.9858 -12.2570 -12.2570 -12.2570 -12.2570 -8.2719 -8.2719 -8.2719 -8.2719 -4.3299 -4.3299 -4.3299 -4.3299 -4.1858 -4.1858 -4.1858 -4.1858 -4.1427 -4.1427 -4.1427 -4.1427 -1.6724 -1.6724 -1.6724 -1.6724 -1.6317 -1.6317 -1.6317 -1.6317 -1.2219 -1.2219 -1.2219 -1.2219 -0.9293 -0.9293 -0.9293 -0.9293 -0.7894 -0.7894 -0.7894 -0.7894 -0.2949 -0.2949 -0.2949 -0.2949 -0.2679 -0.2679 -0.2679 -0.2679 0.1517 0.1517 0.1517 0.1517 0.3218 0.3218 0.3218 0.3218 0.4992 0.4992 0.4992 0.4992 0.5863 0.5863 0.5863 0.5863 3.4435 3.4435 3.4435 3.4435 5.8776 5.8776 5.8776 5.8776 6.3868 6.3868 6.3868 6.3868 6.5390 6.5390 6.5390 6.5390 k = 0.0769 0.4413 0.4099 ( 11904 PWs) bands (ev): -15.6154 -15.6154 -15.6154 -15.6154 -13.6721 -13.6721 -13.6721 -13.6721 -13.5837 -13.5837 -13.5837 -13.5837 -12.9855 -12.9855 -12.9855 -12.9855 -12.2583 -12.2583 -12.2583 -12.2583 -8.2743 -8.2743 -8.2743 -8.2743 -4.3268 -4.3268 -4.3268 -4.3268 -4.1902 -4.1902 -4.1902 -4.1902 -4.1471 -4.1471 -4.1471 -4.1471 -1.6697 -1.6697 -1.6697 -1.6697 -1.6276 -1.6276 -1.6276 -1.6276 -1.2055 -1.2055 -1.2055 -1.2055 -0.9195 -0.9195 -0.9195 -0.9195 -0.8103 -0.8103 -0.8103 -0.8103 -0.3000 -0.3000 -0.3000 -0.3000 -0.2673 -0.2673 -0.2673 -0.2673 0.1492 0.1492 0.1492 0.1492 0.3236 0.3236 0.3236 0.3236 0.4994 0.4994 0.4994 0.4994 0.5867 0.5867 0.5867 0.5867 3.4467 3.4467 3.4467 3.4467 5.8849 5.8849 5.8849 5.8849 6.3853 6.3853 6.3853 6.3853 6.5376 6.5376 6.5376 6.5376 k = 0.0577 0.4413 0.4099 ( 11904 PWs) bands (ev): -15.6164 -15.6164 -15.6164 -15.6164 -13.6723 -13.6723 -13.6723 -13.6723 -13.5808 -13.5808 -13.5808 -13.5808 -12.9853 -12.9853 -12.9853 -12.9853 -12.2594 -12.2594 -12.2594 -12.2594 -8.2762 -8.2762 -8.2762 -8.2762 -4.3243 -4.3243 -4.3243 -4.3243 -4.1937 -4.1937 -4.1937 -4.1937 -4.1505 -4.1505 -4.1505 -4.1505 -1.6676 -1.6676 -1.6676 -1.6676 -1.6244 -1.6244 -1.6244 -1.6244 -1.1909 -1.1909 -1.1909 -1.1909 -0.9118 -0.9118 -0.9118 -0.9118 -0.8281 -0.8281 -0.8281 -0.8281 -0.3040 -0.3040 -0.3040 -0.3040 -0.2668 -0.2668 -0.2668 -0.2668 0.1471 0.1471 0.1471 0.1471 0.3250 0.3250 0.3250 0.3250 0.4996 0.4996 0.4996 0.4996 0.5870 0.5870 0.5870 0.5870 3.4494 3.4494 3.4494 3.4494 5.8907 5.8907 5.8907 5.8907 6.3840 6.3840 6.3840 6.3840 6.5364 6.5364 6.5364 6.5364 k = 0.0385 0.4413 0.4099 ( 11896 PWs) bands (ev): -15.6171 -15.6171 -15.6171 -15.6171 -13.6724 -13.6724 -13.6724 -13.6724 -13.5787 -13.5787 -13.5787 -13.5787 -12.9851 -12.9851 -12.9851 -12.9851 -12.2601 -12.2601 -12.2601 -12.2601 -8.2775 -8.2775 -8.2775 -8.2775 -4.3224 -4.3224 -4.3224 -4.3224 -4.1963 -4.1963 -4.1963 -4.1963 -4.1530 -4.1530 -4.1530 -4.1530 -1.6661 -1.6661 -1.6661 -1.6661 -1.6221 -1.6221 -1.6221 -1.6221 -1.1792 -1.1792 -1.1792 -1.1792 -0.9063 -0.9063 -0.9063 -0.9063 -0.8420 -0.8420 -0.8420 -0.8420 -0.3069 -0.3069 -0.3069 -0.3069 -0.2665 -0.2665 -0.2665 -0.2665 0.1456 0.1456 0.1456 0.1456 0.3260 0.3260 0.3260 0.3260 0.4997 0.4997 0.4997 0.4997 0.5872 0.5872 0.5872 0.5872 3.4513 3.4513 3.4513 3.4513 5.8950 5.8950 5.8950 5.8950 6.3831 6.3831 6.3831 6.3831 6.5355 6.5355 6.5355 6.5355 k = 0.0192 0.4413 0.4099 ( 11880 PWs) bands (ev): -15.6175 -15.6175 -15.6175 -15.6175 -13.6725 -13.6725 -13.6725 -13.6725 -13.5774 -13.5774 -13.5774 -13.5774 -12.9850 -12.9850 -12.9850 -12.9850 -12.2606 -12.2606 -12.2606 -12.2606 -8.2783 -8.2783 -8.2783 -8.2783 -4.3213 -4.3213 -4.3213 -4.3213 -4.1979 -4.1979 -4.1979 -4.1979 -4.1545 -4.1545 -4.1545 -4.1545 -1.6653 -1.6653 -1.6653 -1.6653 -1.6208 -1.6208 -1.6208 -1.6208 -1.1716 -1.1716 -1.1716 -1.1716 -0.9032 -0.9032 -0.9032 -0.9032 -0.8507 -0.8507 -0.8507 -0.8507 -0.3087 -0.3087 -0.3087 -0.3087 -0.2663 -0.2663 -0.2663 -0.2663 0.1446 0.1446 0.1446 0.1446 0.3266 0.3266 0.3266 0.3266 0.4998 0.4998 0.4998 0.4998 0.5873 0.5873 0.5873 0.5873 3.4524 3.4524 3.4524 3.4524 5.8976 5.8976 5.8976 5.8976 6.3826 6.3826 6.3826 6.3826 6.5350 6.5350 6.5350 6.5350 k = 0.0000 0.4413 0.4099 ( 11888 PWs) bands (ev): -15.6177 -15.6177 -15.6177 -15.6177 -13.6726 -13.6726 -13.6726 -13.6726 -13.5770 -13.5770 -13.5770 -13.5770 -12.9850 -12.9850 -12.9850 -12.9850 -12.2608 -12.2608 -12.2608 -12.2608 -8.2786 -8.2786 -8.2786 -8.2786 -4.3209 -4.3209 -4.3209 -4.3209 -4.1984 -4.1984 -4.1984 -4.1984 -4.1550 -4.1550 -4.1550 -4.1550 -1.6650 -1.6650 -1.6650 -1.6650 -1.6203 -1.6203 -1.6203 -1.6203 -1.1690 -1.1690 -1.1690 -1.1690 -0.9022 -0.9022 -0.9022 -0.9022 -0.8537 -0.8537 -0.8537 -0.8537 -0.3093 -0.3093 -0.3093 -0.3093 -0.2662 -0.2662 -0.2662 -0.2662 0.1443 0.1443 0.1443 0.1443 0.3268 0.3268 0.3268 0.3268 0.4999 0.4999 0.4999 0.4999 0.5874 0.5874 0.5874 0.5874 3.4528 3.4528 3.4528 3.4528 5.8985 5.8985 5.8985 5.8985 6.3824 6.3824 6.3824 6.3824 6.5348 6.5348 6.5348 6.5348 k = 0.0000 0.4413 0.4099 ( 11888 PWs) bands (ev): -15.6177 -15.6177 -15.6177 -15.6177 -13.6726 -13.6726 -13.6726 -13.6726 -13.5770 -13.5770 -13.5770 -13.5770 -12.9850 -12.9850 -12.9850 -12.9850 -12.2608 -12.2608 -12.2608 -12.2608 -8.2786 -8.2786 -8.2786 -8.2786 -4.3209 -4.3209 -4.3209 -4.3209 -4.1984 -4.1984 -4.1984 -4.1984 -4.1550 -4.1550 -4.1550 -4.1550 -1.6650 -1.6650 -1.6650 -1.6650 -1.6203 -1.6203 -1.6203 -1.6203 -1.1690 -1.1690 -1.1690 -1.1690 -0.9022 -0.9022 -0.9022 -0.9022 -0.8537 -0.8537 -0.8537 -0.8537 -0.3093 -0.3093 -0.3093 -0.3093 -0.2662 -0.2662 -0.2662 -0.2662 0.1443 0.1443 0.1443 0.1443 0.3268 0.3268 0.3268 0.3268 0.4999 0.4999 0.4999 0.4999 0.5874 0.5874 0.5874 0.5874 3.4528 3.4528 3.4528 3.4528 5.8985 5.8985 5.8985 5.8985 6.3824 6.3824 6.3824 6.3824 6.5348 6.5348 6.5348 6.5348 k = 0.0000 0.4221 0.4099 ( 11898 PWs) bands (ev): -15.6178 -15.6178 -15.6178 -15.6178 -13.6727 -13.6727 -13.6718 -13.6718 -13.5775 -13.5775 -13.5765 -13.5765 -12.9850 -12.9850 -12.9850 -12.9850 -12.2609 -12.2609 -12.2609 -12.2609 -8.2791 -8.2791 -8.2791 -8.2791 -4.3272 -4.3272 -4.3157 -4.3157 -4.2018 -4.2018 -4.1959 -4.1959 -4.1562 -4.1562 -4.1503 -4.1503 -1.6682 -1.6682 -1.6622 -1.6622 -1.6233 -1.6233 -1.6181 -1.6181 -1.1680 -1.1680 -1.1679 -1.1679 -0.9032 -0.9032 -0.9014 -0.9014 -0.8551 -0.8551 -0.8508 -0.8508 -0.3098 -0.3098 -0.3092 -0.3092 -0.2674 -0.2674 -0.2657 -0.2657 0.1436 0.1436 0.1452 0.1452 0.3259 0.3259 0.3269 0.3269 0.4987 0.4987 0.5018 0.5018 0.5858 0.5858 0.5889 0.5889 3.4509 3.4509 3.4516 3.4516 5.8936 5.8936 5.9052 5.9052 6.3761 6.3761 6.3856 6.3856 6.5340 6.5340 6.5346 6.5346 k = 0.0000 0.4029 0.4099 ( 11886 PWs) bands (ev): -15.6180 -15.6180 -15.6180 -15.6180 -13.6722 -13.6722 -13.6704 -13.6704 -13.5780 -13.5780 -13.5760 -13.5760 -12.9851 -12.9851 -12.9851 -12.9851 -12.2613 -12.2613 -12.2613 -12.2613 -8.2805 -8.2805 -8.2805 -8.2805 -4.3342 -4.3342 -4.3122 -4.3122 -4.2053 -4.2053 -4.1945 -4.1945 -4.1542 -4.1542 -4.1423 -4.1423 -1.6718 -1.6718 -1.6598 -1.6598 -1.6271 -1.6271 -1.6168 -1.6168 -1.1649 -1.1649 -1.1647 -1.1647 -0.9045 -0.9045 -0.9011 -0.9011 -0.8549 -0.8549 -0.8465 -0.8465 -0.3108 -0.3108 -0.3096 -0.3096 -0.2694 -0.2694 -0.2659 -0.2659 0.1431 0.1431 0.1461 0.1461 0.3244 0.3244 0.3264 0.3264 0.4983 0.4983 0.5045 0.5045 0.5842 0.5842 0.5904 0.5904 3.4459 3.4459 3.4473 3.4473 5.8906 5.8906 5.9139 5.9139 6.3668 6.3668 6.3859 6.3859 6.5321 6.5321 6.5334 6.5334 k = 0.0000 0.3837 0.4099 ( 11890 PWs) bands (ev): -15.6184 -15.6184 -15.6184 -15.6184 -13.6712 -13.6712 -13.6683 -13.6683 -13.5785 -13.5785 -13.5756 -13.5756 -12.9853 -12.9853 -12.9853 -12.9853 -12.2619 -12.2619 -12.2619 -12.2619 -8.2829 -8.2829 -8.2828 -8.2828 -4.3415 -4.3415 -4.3107 -4.3107 -4.2081 -4.2081 -4.1939 -4.1939 -4.1495 -4.1495 -4.1318 -4.1318 -1.6756 -1.6756 -1.6579 -1.6579 -1.6316 -1.6316 -1.6164 -1.6164 -1.1598 -1.1598 -1.1596 -1.1596 -0.9058 -0.9058 -0.9013 -0.9013 -0.8530 -0.8530 -0.8410 -0.8410 -0.3123 -0.3123 -0.3105 -0.3105 -0.2720 -0.2720 -0.2668 -0.2668 0.1427 0.1427 0.1472 0.1472 0.3223 0.3223 0.3252 0.3252 0.4986 0.4986 0.5079 0.5079 0.5825 0.5825 0.5919 0.5919 3.4379 3.4379 3.4400 3.4400 5.8893 5.8893 5.9244 5.9244 6.3546 6.3546 6.3835 6.3835 6.5293 6.5293 6.5311 6.5311 k = 0.0000 0.3645 0.4099 ( 11890 PWs) bands (ev): -15.6190 -15.6190 -15.6190 -15.6190 -13.6695 -13.6695 -13.6657 -13.6657 -13.5791 -13.5791 -13.5751 -13.5751 -12.9855 -12.9855 -12.9855 -12.9855 -12.2627 -12.2627 -12.2627 -12.2627 -8.2861 -8.2861 -8.2859 -8.2859 -4.3488 -4.3488 -4.3114 -4.3114 -4.2097 -4.2097 -4.1938 -4.1938 -4.1423 -4.1423 -4.1194 -4.1194 -1.6798 -1.6798 -1.6567 -1.6567 -1.6368 -1.6368 -1.6169 -1.6169 -1.1525 -1.1525 -1.1524 -1.1524 -0.9071 -0.9071 -0.9019 -0.9019 -0.8496 -0.8496 -0.8344 -0.8344 -0.3143 -0.3143 -0.3119 -0.3119 -0.2753 -0.2753 -0.2684 -0.2684 0.1424 0.1424 0.1484 0.1484 0.3195 0.3195 0.3233 0.3233 0.4996 0.4996 0.5120 0.5120 0.5808 0.5808 0.5934 0.5934 3.4270 3.4270 3.4297 3.4297 5.8897 5.8897 5.9367 5.9367 6.3396 6.3396 6.3787 6.3787 6.5256 6.5256 6.5279 6.5279 k = 0.0000 0.3453 0.4099 ( 11886 PWs) bands (ev): -15.6197 -15.6197 -15.6197 -15.6197 -13.6673 -13.6673 -13.6626 -13.6626 -13.5796 -13.5796 -13.5747 -13.5747 -12.9858 -12.9858 -12.9858 -12.9858 -12.2637 -12.2637 -12.2637 -12.2637 -8.2900 -8.2900 -8.2899 -8.2899 -4.3559 -4.3559 -4.3142 -4.3142 -4.2102 -4.2102 -4.1939 -4.1939 -4.1329 -4.1329 -4.1058 -4.1058 -1.6842 -1.6842 -1.6563 -1.6563 -1.6423 -1.6423 -1.6183 -1.6183 -1.1432 -1.1432 -1.1430 -1.1430 -0.9083 -0.9083 -0.9029 -0.9029 -0.8448 -0.8448 -0.8268 -0.8268 -0.3167 -0.3167 -0.3138 -0.3138 -0.2794 -0.2794 -0.2707 -0.2707 0.1422 0.1422 0.1496 0.1496 0.3162 0.3162 0.3208 0.3208 0.5012 0.5012 0.5168 0.5168 0.5790 0.5790 0.5950 0.5950 3.4135 3.4135 3.4167 3.4167 5.8914 5.8914 5.9505 5.9505 6.3221 6.3221 6.3718 6.3718 6.5211 6.5211 6.5237 6.5237 k = 0.0000 0.3261 0.4099 ( 11878 PWs) bands (ev): -15.6205 -15.6205 -15.6205 -15.6205 -13.6646 -13.6646 -13.6589 -13.6589 -13.5802 -13.5802 -13.5743 -13.5743 -12.9861 -12.9861 -12.9861 -12.9861 -12.2650 -12.2650 -12.2650 -12.2650 -8.2947 -8.2947 -8.2945 -8.2945 -4.3628 -4.3628 -4.3187 -4.3187 -4.2099 -4.2099 -4.1942 -4.1942 -4.1215 -4.1215 -4.0912 -4.0912 -1.6888 -1.6888 -1.6573 -1.6573 -1.6476 -1.6476 -1.6206 -1.6206 -1.1320 -1.1320 -1.1315 -1.1315 -0.9093 -0.9093 -0.9041 -0.9041 -0.8387 -0.8387 -0.8181 -0.8181 -0.3196 -0.3196 -0.3162 -0.3162 -0.2841 -0.2841 -0.2738 -0.2738 0.1420 0.1420 0.1508 0.1508 0.3124 0.3124 0.3177 0.3177 0.5034 0.5034 0.5223 0.5223 0.5773 0.5773 0.5967 0.5967 3.3975 3.3975 3.4011 3.4011 5.8942 5.8942 5.9657 5.9657 6.3024 6.3024 6.3634 6.3634 6.5158 6.5158 6.5187 6.5187 k = 0.0000 0.3070 0.4099 ( 11886 PWs) bands (ev): -15.6215 -15.6215 -15.6215 -15.6215 -13.6615 -13.6615 -13.6548 -13.6548 -13.5808 -13.5808 -13.5738 -13.5738 -12.9865 -12.9865 -12.9865 -12.9865 -12.2664 -12.2664 -12.2664 -12.2664 -8.3001 -8.3001 -8.2998 -8.2998 -4.3692 -4.3692 -4.3243 -4.3243 -4.2091 -4.2091 -4.1944 -4.1944 -4.1084 -4.1084 -4.0759 -4.0759 -1.6937 -1.6937 -1.6607 -1.6607 -1.6517 -1.6517 -1.6237 -1.6237 -1.1191 -1.1191 -1.1178 -1.1178 -0.9101 -0.9101 -0.9054 -0.9054 -0.8314 -0.8314 -0.8085 -0.8085 -0.3230 -0.3230 -0.3190 -0.3190 -0.2896 -0.2896 -0.2777 -0.2777 0.1418 0.1418 0.1519 0.1519 0.3081 0.3081 0.3141 0.3141 0.5060 0.5060 0.5283 0.5283 0.5756 0.5756 0.5986 0.5986 3.3794 3.3794 3.3833 3.3833 5.8977 5.8977 5.9819 5.9819 6.2811 6.2811 6.3537 6.3537 6.5100 6.5100 6.5130 6.5130 k = 0.0000 0.2878 0.4099 ( 11886 PWs) bands (ev): -15.6225 -15.6225 -15.6225 -15.6225 -13.6580 -13.6580 -13.6504 -13.6504 -13.5813 -13.5813 -13.5733 -13.5733 -12.9869 -12.9869 -12.9869 -12.9869 -12.2679 -12.2679 -12.2679 -12.2679 -8.3059 -8.3059 -8.3057 -8.3057 -4.3753 -4.3753 -4.3306 -4.3306 -4.2080 -4.2080 -4.1946 -4.1946 -4.0939 -4.0939 -4.0602 -4.0602 -1.6988 -1.6988 -1.6667 -1.6667 -1.6542 -1.6542 -1.6277 -1.6277 -1.1044 -1.1044 -1.1023 -1.1023 -0.9108 -0.9108 -0.9068 -0.9068 -0.8229 -0.8229 -0.7979 -0.7979 -0.3268 -0.3268 -0.3224 -0.3224 -0.2959 -0.2959 -0.2823 -0.2823 0.1416 0.1416 0.1528 0.1528 0.3034 0.3034 0.3100 0.3100 0.5090 0.5090 0.5348 0.5348 0.5739 0.5739 0.6006 0.6006 3.3595 3.3595 3.3636 3.3636 5.9018 5.9018 5.9988 5.9988 6.2587 6.2587 6.3435 6.3435 6.5035 6.5035 6.5066 6.5066 k = 0.0000 0.2686 0.4099 ( 11878 PWs) bands (ev): -15.6237 -15.6237 -15.6236 -15.6236 -13.6543 -13.6543 -13.6456 -13.6456 -13.5818 -13.5818 -13.5729 -13.5729 -12.9874 -12.9874 -12.9874 -12.9874 -12.2696 -12.2696 -12.2696 -12.2696 -8.3121 -8.3121 -8.3119 -8.3119 -4.3809 -4.3809 -4.3373 -4.3373 -4.2068 -4.2068 -4.1947 -4.1947 -4.0783 -4.0783 -4.0444 -4.0444 -1.7040 -1.7040 -1.6740 -1.6740 -1.6564 -1.6564 -1.6322 -1.6322 -1.0883 -1.0883 -1.0851 -1.0851 -0.9113 -0.9113 -0.9083 -0.9083 -0.8134 -0.8134 -0.7864 -0.7864 -0.3312 -0.3312 -0.3263 -0.3263 -0.3028 -0.3028 -0.2877 -0.2877 0.1412 0.1412 0.1535 0.1535 0.2985 0.2985 0.3056 0.3056 0.5122 0.5122 0.5415 0.5415 0.5724 0.5724 0.6028 0.6028 3.3382 3.3382 3.3423 3.3423 5.9060 5.9060 6.0158 6.0158 6.2360 6.2360 6.3333 6.3333 6.4966 6.4966 6.4996 6.4996 k = 0.0000 0.2494 0.4099 ( 11886 PWs) bands (ev): -15.6248 -15.6248 -15.6248 -15.6248 -13.6503 -13.6503 -13.6407 -13.6407 -13.5823 -13.5823 -13.5724 -13.5724 -12.9879 -12.9879 -12.9879 -12.9879 -12.2714 -12.2714 -12.2714 -12.2714 -8.3187 -8.3187 -8.3184 -8.3184 -4.3860 -4.3860 -4.3442 -4.3442 -4.2057 -4.2057 -4.1949 -4.1949 -4.0621 -4.0621 -4.0285 -4.0285 -1.7093 -1.7093 -1.6817 -1.6817 -1.6589 -1.6589 -1.6374 -1.6374 -1.0710 -1.0710 -1.0664 -1.0664 -0.9115 -0.9115 -0.9097 -0.9097 -0.8028 -0.8028 -0.7739 -0.7739 -0.3361 -0.3361 -0.3308 -0.3308 -0.3104 -0.3104 -0.2937 -0.2937 0.1408 0.1408 0.1540 0.1540 0.2933 0.2933 0.3008 0.3008 0.5155 0.5155 0.5481 0.5481 0.5714 0.5714 0.6053 0.6053 3.3157 3.3157 3.3198 3.3198 5.9099 5.9099 6.0321 6.0321 6.2139 6.2139 6.3235 6.3235 6.4893 6.4893 6.4922 6.4922 k = 0.0000 0.2302 0.4099 ( 11914 PWs) bands (ev): -15.6260 -15.6260 -15.6260 -15.6260 -13.6462 -13.6462 -13.6356 -13.6356 -13.5827 -13.5827 -13.5719 -13.5719 -12.9885 -12.9885 -12.9884 -12.9884 -12.2732 -12.2732 -12.2732 -12.2732 -8.3254 -8.3254 -8.3251 -8.3251 -4.3906 -4.3906 -4.3511 -4.3511 -4.2045 -4.2045 -4.1950 -4.1950 -4.0454 -4.0454 -4.0128 -4.0128 -1.7147 -1.7147 -1.6896 -1.6896 -1.6619 -1.6619 -1.6430 -1.6430 -1.0529 -1.0529 -1.0466 -1.0466 -0.9115 -0.9115 -0.9110 -0.9110 -0.7911 -0.7911 -0.7605 -0.7605 -0.3417 -0.3417 -0.3361 -0.3361 -0.3185 -0.3185 -0.3005 -0.3005 0.1403 0.1403 0.1542 0.1542 0.2879 0.2879 0.2958 0.2958 0.5188 0.5188 0.5540 0.5540 0.5715 0.5715 0.6081 0.6081 3.2925 3.2925 3.2965 3.2965 5.9134 5.9134 6.0463 6.0463 6.1941 6.1941 6.3148 6.3148 6.4817 6.4817 6.4844 6.4844 k = 0.0000 0.2110 0.4099 ( 11910 PWs) bands (ev): -15.6272 -15.6272 -15.6272 -15.6272 -13.6421 -13.6421 -13.6306 -13.6306 -13.5831 -13.5831 -13.5713 -13.5713 -12.9890 -12.9890 -12.9890 -12.9890 -12.2751 -12.2751 -12.2751 -12.2751 -8.3321 -8.3321 -8.3318 -8.3318 -4.3948 -4.3948 -4.3579 -4.3579 -4.2035 -4.2035 -4.1950 -4.1950 -4.0287 -4.0287 -3.9976 -3.9976 -1.7200 -1.7200 -1.6976 -1.6976 -1.6651 -1.6651 -1.6488 -1.6488 -1.0345 -1.0345 -1.0262 -1.0262 -0.9123 -0.9123 -0.9110 -0.9110 -0.7781 -0.7781 -0.7460 -0.7460 -0.3479 -0.3479 -0.3426 -0.3426 -0.3266 -0.3266 -0.3077 -0.3077 0.1398 0.1398 0.1542 0.1542 0.2825 0.2825 0.2907 0.2907 0.5219 0.5219 0.5575 0.5575 0.5740 0.5740 0.6111 0.6111 3.2690 3.2690 3.2729 3.2729 5.9161 5.9161 6.0562 6.0562 6.1791 6.1791 6.3073 6.3073 6.4739 6.4739 6.4763 6.4763 k = 0.0000 0.1918 0.4099 ( 11928 PWs) bands (ev): -15.6284 -15.6284 -15.6284 -15.6284 -13.6379 -13.6379 -13.6258 -13.6258 -13.5832 -13.5832 -13.5708 -13.5708 -12.9896 -12.9896 -12.9896 -12.9896 -12.2770 -12.2770 -12.2770 -12.2770 -8.3387 -8.3387 -8.3384 -8.3384 -4.3984 -4.3984 -4.3644 -4.3644 -4.2025 -4.2025 -4.1951 -4.1951 -4.0121 -4.0121 -3.9829 -3.9829 -1.7252 -1.7252 -1.7054 -1.7054 -1.6687 -1.6687 -1.6548 -1.6548 -1.0163 -1.0163 -1.0056 -1.0056 -0.9134 -0.9134 -0.9100 -0.9100 -0.7639 -0.7639 -0.7305 -0.7305 -0.3551 -0.3551 -0.3510 -0.3510 -0.3341 -0.3341 -0.3154 -0.3154 0.1392 0.1392 0.1539 0.1539 0.2772 0.2772 0.2855 0.2855 0.5250 0.5250 0.5583 0.5583 0.5793 0.5793 0.6143 0.6143 3.2457 3.2457 3.2494 3.2494 5.9179 5.9179 6.0585 6.0585 6.1721 6.1721 6.3015 6.3015 6.4660 6.4660 6.4680 6.4680 k = 0.0000 0.1727 0.4099 ( 11910 PWs) bands (ev): -15.6296 -15.6296 -15.6296 -15.6296 -13.6339 -13.6339 -13.6213 -13.6213 -13.5832 -13.5832 -13.5702 -13.5702 -12.9902 -12.9902 -12.9902 -12.9902 -12.2788 -12.2788 -12.2788 -12.2788 -8.3451 -8.3451 -8.3448 -8.3448 -4.4016 -4.4016 -4.3706 -4.3706 -4.2016 -4.2016 -4.1951 -4.1951 -3.9960 -3.9960 -3.9690 -3.9690 -1.7303 -1.7303 -1.7129 -1.7129 -1.6724 -1.6724 -1.6608 -1.6608 -0.9989 -0.9989 -0.9855 -0.9855 -0.9141 -0.9141 -0.9084 -0.9084 -0.7484 -0.7484 -0.7140 -0.7140 -0.3633 -0.3633 -0.3616 -0.3616 -0.3406 -0.3406 -0.3232 -0.3232 0.1386 0.1386 0.1533 0.1533 0.2721 0.2721 0.2803 0.2803 0.5277 0.5277 0.5576 0.5576 0.5861 0.5861 0.6176 0.6176 3.2230 3.2230 3.2263 3.2263 5.9189 5.9189 6.0520 6.0520 6.1745 6.1745 6.2974 6.2974 6.4582 6.4582 6.4596 6.4596 k = 0.0000 0.1535 0.4099 ( 11910 PWs) bands (ev): -15.6307 -15.6307 -15.6307 -15.6307 -13.6301 -13.6301 -13.6172 -13.6172 -13.5829 -13.5829 -13.5697 -13.5697 -12.9908 -12.9908 -12.9908 -12.9908 -12.2805 -12.2805 -12.2805 -12.2805 -8.3512 -8.3512 -8.3509 -8.3509 -4.4042 -4.4042 -4.3765 -4.3765 -4.2007 -4.2007 -4.1952 -4.1952 -3.9807 -3.9807 -3.9562 -3.9562 -1.7350 -1.7350 -1.7200 -1.7200 -1.6762 -1.6762 -1.6666 -1.6666 -0.9830 -0.9830 -0.9669 -0.9669 -0.9142 -0.9142 -0.9057 -0.9057 -0.7314 -0.7314 -0.6965 -0.6965 -0.3741 -0.3741 -0.3728 -0.3728 -0.3464 -0.3464 -0.3310 -0.3310 0.1381 0.1381 0.1524 0.1524 0.2672 0.2672 0.2753 0.2753 0.5302 0.5302 0.5563 0.5563 0.5933 0.5933 0.6209 0.6209 3.2013 3.2013 3.2043 3.2043 5.9192 5.9192 6.0391 6.0391 6.1841 6.1841 6.2949 6.2949 6.4504 6.4504 6.4513 6.4513 k = 0.0000 0.1343 0.4099 ( 11926 PWs) bands (ev): -15.6317 -15.6317 -15.6317 -15.6317 -13.6265 -13.6265 -13.6138 -13.6138 -13.5822 -13.5822 -13.5693 -13.5693 -12.9913 -12.9913 -12.9913 -12.9913 -12.2822 -12.2822 -12.2822 -12.2822 -8.3569 -8.3569 -8.3566 -8.3566 -4.4064 -4.4064 -4.3819 -4.3819 -4.1999 -4.1999 -4.1952 -4.1952 -3.9664 -3.9664 -3.9445 -3.9445 -1.7394 -1.7394 -1.7267 -1.7267 -1.6799 -1.6799 -1.6721 -1.6721 -0.9693 -0.9693 -0.9509 -0.9509 -0.9128 -0.9128 -0.9019 -0.9019 -0.7130 -0.7130 -0.6781 -0.6781 -0.3882 -0.3882 -0.3837 -0.3837 -0.3515 -0.3515 -0.3384 -0.3384 0.1377 0.1377 0.1513 0.1513 0.2627 0.2627 0.2705 0.2705 0.5325 0.5325 0.5548 0.5548 0.6003 0.6003 0.6241 0.6241 3.1810 3.1810 3.1836 3.1836 5.9190 5.9190 6.0232 6.0232 6.1974 6.1974 6.2938 6.2938 6.4428 6.4428 6.4431 6.4431 k = 0.0000 0.1151 0.4099 ( 11934 PWs) bands (ev): -15.6327 -15.6327 -15.6326 -15.6326 -13.6231 -13.6231 -13.6111 -13.6111 -13.5812 -13.5812 -13.5689 -13.5689 -12.9918 -12.9918 -12.9918 -12.9918 -12.2836 -12.2836 -12.2836 -12.2836 -8.3620 -8.3620 -8.3617 -8.3617 -4.4080 -4.4080 -4.3869 -4.3869 -4.1992 -4.1992 -4.1953 -4.1953 -3.9532 -3.9532 -3.9342 -3.9342 -1.7433 -1.7433 -1.7327 -1.7327 -1.6834 -1.6834 -1.6773 -1.6773 -0.9585 -0.9585 -0.9396 -0.9396 -0.9084 -0.9084 -0.8966 -0.8966 -0.6932 -0.6932 -0.6589 -0.6589 -0.4037 -0.4037 -0.3962 -0.3962 -0.3561 -0.3561 -0.3453 -0.3453 0.1375 0.1375 0.1500 0.1500 0.2588 0.2588 0.2660 0.2660 0.5345 0.5345 0.5532 0.5532 0.6071 0.6071 0.6270 0.6270 3.1625 3.1625 3.1648 3.1648 5.9187 5.9187 6.0065 6.0065 6.2122 6.2122 6.2938 6.2938 6.4352 6.4352 6.4355 6.4355 k = 0.0000 0.0959 0.4099 ( 11924 PWs) bands (ev): -15.6335 -15.6335 -15.6335 -15.6335 -13.6200 -13.6200 -13.6092 -13.6092 -13.5797 -13.5797 -13.5687 -13.5687 -12.9923 -12.9923 -12.9923 -12.9923 -12.2850 -12.2850 -12.2850 -12.2850 -8.3664 -8.3664 -8.3663 -8.3663 -4.4091 -4.4091 -4.3915 -4.3915 -4.1986 -4.1986 -4.1953 -4.1953 -3.9415 -3.9415 -3.9254 -3.9254 -1.7466 -1.7466 -1.7381 -1.7381 -1.6866 -1.6866 -1.6819 -1.6819 -0.9504 -0.9504 -0.9339 -0.9339 -0.9005 -0.9005 -0.8904 -0.8904 -0.6722 -0.6722 -0.6393 -0.6393 -0.4202 -0.4202 -0.4101 -0.4101 -0.3602 -0.3602 -0.3514 -0.3514 0.1374 0.1374 0.1486 0.1486 0.2554 0.2554 0.2619 0.2619 0.5363 0.5363 0.5516 0.5516 0.6133 0.6133 0.6296 0.6296 3.1462 3.1462 3.1481 3.1481 5.9186 5.9186 5.9904 5.9904 6.2272 6.2272 6.2943 6.2943 6.4277 6.4277 6.4287 6.4287 k = 0.0000 0.0767 0.4099 ( 11918 PWs) bands (ev): -15.6342 -15.6342 -15.6341 -15.6341 -13.6173 -13.6173 -13.6081 -13.6081 -13.5780 -13.5780 -13.5687 -13.5687 -12.9927 -12.9927 -12.9927 -12.9927 -12.2861 -12.2861 -12.2861 -12.2861 -8.3702 -8.3702 -8.3701 -8.3701 -4.4097 -4.4097 -4.3956 -4.3956 -4.1980 -4.1980 -4.1955 -4.1955 -3.9313 -3.9313 -3.9183 -3.9183 -1.7494 -1.7494 -1.7427 -1.7427 -1.6894 -1.6894 -1.6858 -1.6858 -0.9448 -0.9448 -0.9320 -0.9320 -0.8912 -0.8912 -0.8838 -0.8838 -0.6505 -0.6505 -0.6197 -0.6197 -0.4374 -0.4374 -0.4252 -0.4252 -0.3635 -0.3635 -0.3567 -0.3567 0.1376 0.1376 0.1471 0.1471 0.2527 0.2527 0.2583 0.2583 0.5380 0.5380 0.5500 0.5500 0.6188 0.6188 0.6317 0.6317 3.1324 3.1324 3.1339 3.1339 5.9191 5.9191 5.9754 5.9754 6.2416 6.2416 6.2949 6.2949 6.4211 6.4211 6.4225 6.4225 k = 0.0000 0.0576 0.4099 ( 11928 PWs) bands (ev): -15.6347 -15.6347 -15.6347 -15.6347 -13.6149 -13.6149 -13.6077 -13.6077 -13.5762 -13.5762 -13.5689 -13.5689 -12.9930 -12.9930 -12.9930 -12.9930 -12.2870 -12.2870 -12.2870 -12.2870 -8.3732 -8.3732 -8.3731 -8.3731 -4.4098 -4.4098 -4.3992 -4.3992 -4.1975 -4.1975 -4.1956 -4.1956 -3.9228 -3.9228 -3.9131 -3.9131 -1.7514 -1.7514 -1.7465 -1.7465 -1.6916 -1.6916 -1.6890 -1.6890 -0.9408 -0.9408 -0.9317 -0.9317 -0.8828 -0.8828 -0.8779 -0.8779 -0.6287 -0.6287 -0.6011 -0.6011 -0.4545 -0.4545 -0.4410 -0.4410 -0.3661 -0.3661 -0.3610 -0.3610 0.1381 0.1381 0.1455 0.1455 0.2508 0.2508 0.2551 0.2551 0.5396 0.5396 0.5484 0.5484 0.6235 0.6235 0.6331 0.6331 3.1214 3.1214 3.1226 3.1226 5.9205 5.9205 5.9621 5.9621 6.2549 6.2549 6.2947 6.2947 6.4155 6.4155 6.4171 6.4171 k = 0.0000 0.0384 0.4099 ( 11918 PWs) bands (ev): -15.6351 -15.6351 -15.6351 -15.6351 -13.6128 -13.6128 -13.6079 -13.6079 -13.5743 -13.5743 -13.5694 -13.5694 -12.9933 -12.9933 -12.9933 -12.9933 -12.2876 -12.2876 -12.2876 -12.2876 -8.3754 -8.3754 -8.3753 -8.3753 -4.4094 -4.4094 -4.4023 -4.4023 -4.1970 -4.1970 -4.1958 -4.1958 -3.9162 -3.9162 -3.9097 -3.9097 -1.7527 -1.7527 -1.7495 -1.7495 -1.6931 -1.6931 -1.6915 -1.6915 -0.9380 -0.9380 -0.9322 -0.9322 -0.8762 -0.8762 -0.8733 -0.8733 -0.6078 -0.6078 -0.5854 -0.5854 -0.4696 -0.4696 -0.4568 -0.4568 -0.3678 -0.3678 -0.3644 -0.3644 0.1389 0.1389 0.1440 0.1440 0.2496 0.2496 0.2526 0.2526 0.5410 0.5410 0.5469 0.5469 0.6274 0.6274 0.6337 0.6337 3.1134 3.1134 3.1142 3.1142 5.9231 5.9231 5.9506 5.9506 6.2668 6.2668 6.2933 6.2933 6.4114 6.4114 6.4128 6.4128 k = 0.0000 0.0192 0.4099 ( 11932 PWs) bands (ev): -15.6353 -15.6353 -15.6353 -15.6353 -13.6110 -13.6110 -13.6085 -13.6085 -13.5727 -13.5727 -13.5702 -13.5702 -12.9934 -12.9934 -12.9934 -12.9934 -12.2880 -12.2880 -12.2880 -12.2880 -8.3767 -8.3767 -8.3766 -8.3766 -4.4084 -4.4084 -4.4048 -4.4048 -4.1966 -4.1966 -4.1960 -4.1960 -3.9116 -3.9116 -3.9083 -3.9083 -1.7532 -1.7532 -1.7516 -1.7516 -1.6939 -1.6939 -1.6931 -1.6931 -0.9360 -0.9360 -0.9332 -0.9332 -0.8720 -0.8720 -0.8706 -0.8706 -0.5896 -0.5896 -0.5761 -0.5761 -0.4795 -0.4795 -0.4709 -0.4709 -0.3685 -0.3685 -0.3668 -0.3668 0.1399 0.1399 0.1424 0.1424 0.2492 0.2492 0.2507 0.2507 0.5425 0.5425 0.5454 0.5454 0.6303 0.6303 0.6335 0.6335 3.1087 3.1087 3.1090 3.1090 5.9273 5.9273 5.9409 5.9409 6.2767 6.2767 6.2900 6.2900 6.4089 6.4089 6.4098 6.4098 k = 0.0000 0.0000 0.4099 ( 11920 PWs) bands (ev): -15.6354 -15.6354 -15.6354 -15.6354 -13.6096 -13.6096 -13.6096 -13.6096 -13.5713 -13.5713 -13.5713 -13.5713 -12.9935 -12.9935 -12.9935 -12.9935 -12.2881 -12.2881 -12.2881 -12.2881 -8.3771 -8.3771 -8.3771 -8.3771 -4.4069 -4.4069 -4.4069 -4.4069 -4.1963 -4.1963 -4.1963 -4.1963 -3.9089 -3.9089 -3.9089 -3.9089 -1.7528 -1.7528 -1.7528 -1.7528 -1.6939 -1.6939 -1.6939 -1.6939 -0.9344 -0.9344 -0.9344 -0.9344 -0.8701 -0.8701 -0.8701 -0.8701 -0.5776 -0.5776 -0.5776 -0.5776 -0.4799 -0.4799 -0.4799 -0.4799 -0.3682 -0.3682 -0.3682 -0.3682 0.1411 0.1411 0.1411 0.1411 0.2496 0.2496 0.2496 0.2496 0.5439 0.5439 0.5439 0.5439 0.6324 0.6324 0.6324 0.6324 3.1072 3.1072 3.1072 3.1072 5.9332 5.9332 5.9332 5.9332 6.2845 6.2845 6.2845 6.2845 6.4084 6.4084 6.4084 6.4084 k = 0.0000 0.4413-0.0000 ( 11892 PWs) bands (ev): -15.6303 -15.6303 -15.6303 -15.6303 -13.6667 -13.6667 -13.6667 -13.6667 -13.5768 -13.5768 -13.5768 -13.5768 -12.8267 -12.8267 -12.8267 -12.8267 -12.4099 -12.4099 -12.4099 -12.4099 -8.4199 -8.4199 -8.4199 -8.4199 -4.3015 -4.3015 -4.3015 -4.3015 -4.1533 -4.1533 -4.1533 -4.1533 -3.5652 -3.5652 -3.5652 -3.5652 -1.6697 -1.6697 -1.6697 -1.6697 -1.4591 -1.4591 -1.4591 -1.4591 -1.3961 -1.3961 -1.3961 -1.3961 -1.1100 -1.1100 -1.1100 -1.1100 -0.9243 -0.9243 -0.9243 -0.9243 -0.7717 -0.7717 -0.7717 -0.7717 -0.0465 -0.0465 -0.0465 -0.0465 0.0016 0.0016 0.0016 0.0016 0.0900 0.0900 0.0900 0.0900 0.5687 0.5687 0.5687 0.5687 0.7943 0.7943 0.7943 0.7943 2.9713 2.9713 2.9713 2.9713 5.8853 5.8853 5.8853 5.8853 6.3797 6.3797 6.3797 6.3797 7.8341 7.8341 7.8341 7.8341 k = 0.0000 0.4413 0.0195 ( 11884 PWs) bands (ev): -15.6302 -15.6302 -15.6302 -15.6302 -13.6668 -13.6668 -13.6668 -13.6668 -13.5768 -13.5768 -13.5768 -13.5768 -12.8279 -12.8279 -12.8279 -12.8279 -12.4088 -12.4088 -12.4087 -12.4087 -8.4192 -8.4192 -8.4192 -8.4192 -4.3014 -4.3014 -4.3012 -4.3012 -4.1537 -4.1537 -4.1531 -4.1531 -3.5700 -3.5700 -3.5695 -3.5695 -1.6700 -1.6700 -1.6700 -1.6700 -1.4599 -1.4599 -1.4591 -1.4591 -1.3950 -1.3950 -1.3924 -1.3924 -1.1084 -1.1084 -1.1070 -1.1070 -0.9241 -0.9241 -0.9239 -0.9239 -0.7713 -0.7713 -0.7699 -0.7699 -0.0530 -0.0530 -0.0529 -0.0529 0.0053 0.0053 0.0103 0.0103 0.0883 0.0883 0.0936 0.0936 0.5680 0.5680 0.5690 0.5690 0.7933 0.7933 0.7935 0.7935 2.9731 2.9731 2.9733 2.9733 5.8856 5.8856 5.8857 5.8857 6.3795 6.3795 6.3803 6.3803 7.8261 7.8261 7.8263 7.8263 k = 0.0000 0.4413 0.0390 ( 11886 PWs) bands (ev): -15.6300 -15.6300 -15.6300 -15.6300 -13.6669 -13.6669 -13.6668 -13.6668 -13.5769 -13.5769 -13.5768 -13.5768 -12.8315 -12.8315 -12.8314 -12.8314 -12.4054 -12.4054 -12.4053 -12.4053 -8.4170 -8.4170 -8.4170 -8.4170 -4.3012 -4.3012 -4.3008 -4.3008 -4.1546 -4.1546 -4.1533 -4.1533 -3.5836 -3.5836 -3.5825 -3.5825 -1.6710 -1.6710 -1.6709 -1.6709 -1.4624 -1.4624 -1.4603 -1.4603 -1.3888 -1.3888 -1.3833 -1.3833 -1.1024 -1.1024 -1.0996 -1.0996 -0.9233 -0.9233 -0.9230 -0.9230 -0.7687 -0.7687 -0.7659 -0.7659 -0.0675 -0.0675 -0.0666 -0.0666 0.0164 0.0164 0.0253 0.0253 0.0886 0.0886 0.0991 0.0991 0.5668 0.5668 0.5688 0.5688 0.7906 0.7906 0.7910 0.7910 2.9786 2.9786 2.9792 2.9792 5.8864 5.8864 5.8866 5.8866 6.3797 6.3797 6.3811 6.3811 7.8026 7.8026 7.8030 7.8030 k = 0.0000 0.4413 0.0586 ( 11910 PWs) bands (ev): -15.6297 -15.6297 -15.6297 -15.6297 -13.6670 -13.6670 -13.6670 -13.6670 -13.5769 -13.5769 -13.5768 -13.5768 -12.8372 -12.8372 -12.8371 -12.8371 -12.3999 -12.3999 -12.3999 -12.3999 -8.4134 -8.4134 -8.4134 -8.4134 -4.3007 -4.3007 -4.3001 -4.3001 -4.1557 -4.1557 -4.1538 -4.1538 -3.6054 -3.6054 -3.6038 -3.6038 -1.6725 -1.6725 -1.6720 -1.6720 -1.4675 -1.4675 -1.4641 -1.4641 -1.3769 -1.3769 -1.3686 -1.3686 -1.0922 -1.0922 -1.0880 -1.0880 -0.9219 -0.9219 -0.9215 -0.9215 -0.7637 -0.7637 -0.7595 -0.7595 -0.0846 -0.0846 -0.0823 -0.0823 0.0293 0.0293 0.0413 0.0413 0.0913 0.0913 0.1067 0.1067 0.5652 0.5652 0.5681 0.5681 0.7862 0.7862 0.7867 0.7867 2.9879 2.9879 2.9888 2.9888 5.8878 5.8878 5.8880 5.8880 6.3801 6.3801 6.3823 6.3823 7.7643 7.7643 7.7648 7.7648 k = 0.0000 0.4413 0.0781 ( 11894 PWs) bands (ev): -15.6292 -15.6292 -15.6292 -15.6292 -13.6672 -13.6672 -13.6672 -13.6672 -13.5769 -13.5769 -13.5768 -13.5768 -12.8448 -12.8448 -12.8447 -12.8447 -12.3926 -12.3926 -12.3926 -12.3926 -8.4084 -8.4084 -8.4084 -8.4084 -4.3000 -4.3000 -4.2992 -4.2992 -4.1573 -4.1573 -4.1546 -4.1546 -3.6345 -3.6345 -3.6324 -3.6324 -1.6741 -1.6741 -1.6731 -1.6731 -1.4754 -1.4754 -1.4707 -1.4707 -1.3599 -1.3599 -1.3491 -1.3491 -1.0785 -1.0785 -1.0730 -1.0730 -0.9201 -0.9201 -0.9195 -0.9195 -0.7558 -0.7558 -0.7503 -0.7503 -0.1021 -0.1021 -0.0985 -0.0985 0.0417 0.0417 0.0556 0.0556 0.0975 0.0975 0.1163 0.1163 0.5632 0.5632 0.5670 0.5670 0.7801 0.7801 0.7808 0.7808 3.0010 3.0010 3.0021 3.0021 5.8897 5.8897 5.8900 5.8900 6.3808 6.3808 6.3838 6.3838 7.7123 7.7123 7.7129 7.7129 k = 0.0000 0.4413 0.0976 ( 11902 PWs) bands (ev): -15.6286 -15.6286 -15.6286 -15.6286 -13.6675 -13.6675 -13.6674 -13.6674 -13.5769 -13.5769 -13.5768 -13.5768 -12.8540 -12.8540 -12.8539 -12.8539 -12.3839 -12.3839 -12.3839 -12.3839 -8.4022 -8.4022 -8.4021 -8.4021 -4.2992 -4.2992 -4.2980 -4.2980 -4.1591 -4.1591 -4.1557 -4.1557 -3.6698 -3.6698 -3.6672 -3.6672 -1.6756 -1.6756 -1.6739 -1.6739 -1.4855 -1.4855 -1.4797 -1.4797 -1.3395 -1.3395 -1.3268 -1.3268 -1.0618 -1.0618 -1.0552 -1.0552 -0.9178 -0.9178 -0.9173 -0.9173 -0.7446 -0.7446 -0.7377 -0.7377 -0.1194 -0.1194 -0.1146 -0.1146 0.0530 0.0530 0.0663 0.0663 0.1083 0.1083 0.1280 0.1280 0.5608 0.5608 0.5655 0.5655 0.7724 0.7724 0.7732 0.7732 3.0177 3.0177 3.0191 3.0191 5.8921 5.8921 5.8924 5.8924 6.3818 6.3818 6.3855 6.3855 7.6482 7.6482 7.6486 7.6486 k = 0.0000 0.4413 0.1171 ( 11902 PWs) bands (ev): -15.6279 -15.6279 -15.6279 -15.6279 -13.6678 -13.6678 -13.6677 -13.6677 -13.5769 -13.5769 -13.5768 -13.5768 -12.8643 -12.8643 -12.8642 -12.8642 -12.3741 -12.3741 -12.3740 -12.3740 -8.3948 -8.3948 -8.3947 -8.3947 -4.2982 -4.2982 -4.2968 -4.2968 -4.1614 -4.1614 -4.1571 -4.1571 -3.7101 -3.7101 -3.7069 -3.7069 -1.6768 -1.6768 -1.6743 -1.6743 -1.4970 -1.4970 -1.4904 -1.4904 -1.3176 -1.3176 -1.3034 -1.3034 -1.0428 -1.0428 -1.0353 -1.0353 -0.9153 -0.9153 -0.9148 -0.9148 -0.7295 -0.7295 -0.7214 -0.7214 -0.1361 -0.1361 -0.1303 -0.1303 0.0633 0.0633 0.0739 0.0739 0.1231 0.1231 0.1412 0.1412 0.5580 0.5580 0.5636 0.5636 0.7632 0.7632 0.7641 0.7641 3.0381 3.0381 3.0396 3.0396 5.8947 5.8947 5.8952 5.8952 6.3830 6.3830 6.3875 6.3875 7.5736 7.5736 7.5738 7.5738 k = 0.0000 0.4413 0.1366 ( 11908 PWs) bands (ev): -15.6272 -15.6272 -15.6272 -15.6272 -13.6681 -13.6681 -13.6681 -13.6681 -13.5769 -13.5769 -13.5768 -13.5768 -12.8755 -12.8755 -12.8754 -12.8754 -12.3635 -12.3635 -12.3634 -12.3634 -8.3864 -8.3864 -8.3863 -8.3863 -4.2971 -4.2971 -4.2954 -4.2954 -4.1639 -4.1639 -4.1587 -4.1587 -3.7540 -3.7540 -3.7502 -3.7502 -1.6777 -1.6777 -1.6743 -1.6743 -1.5095 -1.5095 -1.5020 -1.5020 -1.2957 -1.2957 -1.2806 -1.2806 -1.0224 -1.0224 -1.0144 -1.0144 -0.9127 -0.9127 -0.9122 -0.9122 -0.7100 -0.7100 -0.7007 -0.7007 -0.1521 -0.1521 -0.1453 -0.1453 0.0727 0.0727 0.0797 0.0797 0.1399 0.1399 0.1556 0.1556 0.5550 0.5550 0.5613 0.5613 0.7526 0.7526 0.7535 0.7535 3.0618 3.0618 3.0636 3.0636 5.8976 5.8976 5.8981 5.8981 6.3844 6.3844 6.3897 6.3897 7.4901 7.4901 7.4903 7.4903 k = 0.0000 0.4413 0.1561 ( 11912 PWs) bands (ev): -15.6263 -15.6263 -15.6263 -15.6263 -13.6685 -13.6685 -13.6684 -13.6684 -13.5769 -13.5769 -13.5768 -13.5768 -12.8871 -12.8871 -12.8870 -12.8870 -12.3525 -12.3525 -12.3524 -12.3524 -8.3772 -8.3772 -8.3771 -8.3771 -4.2960 -4.2960 -4.2939 -4.2939 -4.1669 -4.1669 -4.1606 -4.1606 -3.8002 -3.8002 -3.7957 -3.7957 -1.6783 -1.6783 -1.6739 -1.6739 -1.5224 -1.5224 -1.5141 -1.5141 -1.2750 -1.2750 -1.2595 -1.2595 -1.0016 -1.0016 -0.9934 -0.9934 -0.9101 -0.9101 -0.9097 -0.9097 -0.6858 -0.6858 -0.6754 -0.6754 -0.1672 -0.1672 -0.1595 -0.1595 0.0815 0.0815 0.0851 0.0851 0.1576 0.1576 0.1706 0.1706 0.5517 0.5517 0.5586 0.5586 0.7406 0.7406 0.7415 0.7415 3.0888 3.0888 3.0907 3.0907 5.9006 5.9006 5.9012 5.9012 6.3858 6.3858 6.3921 6.3921 7.3997 7.3997 7.4005 7.4005 k = 0.0000 0.4413 0.1757 ( 11936 PWs) bands (ev): -15.6254 -15.6254 -15.6254 -15.6254 -13.6689 -13.6689 -13.6688 -13.6688 -13.5769 -13.5769 -13.5769 -13.5769 -12.8990 -12.8990 -12.8989 -12.8989 -12.3413 -12.3413 -12.3412 -12.3412 -8.3673 -8.3673 -8.3672 -8.3672 -4.2950 -4.2950 -4.2925 -4.2925 -4.1702 -4.1702 -4.1627 -4.1627 -3.8475 -3.8475 -3.8422 -3.8422 -1.6785 -1.6785 -1.6732 -1.6732 -1.5354 -1.5354 -1.5264 -1.5264 -1.2563 -1.2563 -1.2408 -1.2408 -0.9813 -0.9813 -0.9732 -0.9732 -0.9076 -0.9076 -0.9071 -0.9071 -0.6569 -0.6569 -0.6455 -0.6455 -0.1813 -0.1813 -0.1728 -0.1728 0.0898 0.0898 0.0903 0.0903 0.1753 0.1753 0.1858 0.1858 0.5481 0.5481 0.5556 0.5556 0.7274 0.7274 0.7283 0.7283 3.1187 3.1187 3.1208 3.1208 5.9036 5.9036 5.9043 5.9043 6.3873 6.3873 6.3945 6.3945 7.3045 7.3045 7.3060 7.3060 k = 0.0000 0.4413 0.1952 ( 11920 PWs) bands (ev): -15.6245 -15.6245 -15.6245 -15.6245 -13.6693 -13.6693 -13.6692 -13.6692 -13.5770 -13.5770 -13.5769 -13.5769 -12.9107 -12.9107 -12.9106 -12.9106 -12.3303 -12.3303 -12.3302 -12.3302 -8.3570 -8.3570 -8.3569 -8.3569 -4.2942 -4.2942 -4.2912 -4.2912 -4.1739 -4.1739 -4.1649 -4.1649 -3.8947 -3.8947 -3.8884 -3.8884 -1.6784 -1.6784 -1.6721 -1.6721 -1.5481 -1.5481 -1.5384 -1.5384 -1.2397 -1.2397 -1.2248 -1.2248 -0.9624 -0.9624 -0.9545 -0.9545 -0.9052 -0.9052 -0.9045 -0.9045 -0.6239 -0.6239 -0.6116 -0.6116 -0.1943 -0.1943 -0.1852 -0.1852 0.0957 0.0957 0.0979 0.0979 0.1928 0.1928 0.2011 0.2011 0.5443 0.5443 0.5523 0.5523 0.7133 0.7133 0.7141 0.7141 3.1512 3.1512 3.1534 3.1534 5.9063 5.9063 5.9071 5.9071 6.3888 6.3888 6.3969 6.3969 7.2066 7.2066 7.2090 7.2090 k = 0.0000 0.4413 0.2147 ( 11926 PWs) bands (ev): -15.6235 -15.6235 -15.6235 -15.6235 -13.6697 -13.6697 -13.6697 -13.6697 -13.5770 -13.5770 -13.5769 -13.5769 -12.9222 -12.9222 -12.9220 -12.9220 -12.3195 -12.3195 -12.3194 -12.3194 -8.3465 -8.3465 -8.3464 -8.3464 -4.2937 -4.2937 -4.2903 -4.2903 -4.1779 -4.1779 -4.1673 -4.1673 -3.9406 -3.9406 -3.9332 -3.9332 -1.6780 -1.6780 -1.6708 -1.6708 -1.5603 -1.5603 -1.5500 -1.5500 -1.2255 -1.2255 -1.2114 -1.2114 -0.9456 -0.9456 -0.9376 -0.9376 -0.9030 -0.9030 -0.9017 -0.9017 -0.5877 -0.5877 -0.5747 -0.5747 -0.2064 -0.2064 -0.1965 -0.1965 0.1013 0.1013 0.1056 0.1056 0.2099 0.2099 0.2161 0.2161 0.5404 0.5404 0.5487 0.5487 0.6983 0.6983 0.6990 0.6990 3.1858 3.1858 3.1881 3.1881 5.9087 5.9087 5.9095 5.9095 6.3901 6.3901 6.3992 6.3992 7.1082 7.1082 7.1116 7.1116 k = 0.0000 0.4413 0.2342 ( 11918 PWs) bands (ev): -15.6226 -15.6226 -15.6226 -15.6226 -13.6702 -13.6702 -13.6701 -13.6701 -13.5770 -13.5770 -13.5769 -13.5769 -12.9330 -12.9330 -12.9329 -12.9329 -12.3093 -12.3093 -12.3092 -12.3092 -8.3359 -8.3359 -8.3359 -8.3359 -4.2937 -4.2937 -4.2898 -4.2898 -4.1823 -4.1823 -4.1698 -4.1698 -3.9842 -3.9842 -3.9754 -3.9754 -1.6774 -1.6774 -1.6694 -1.6694 -1.5719 -1.5719 -1.5610 -1.5610 -1.2134 -1.2134 -1.2004 -1.2004 -0.9315 -0.9315 -0.9231 -0.9231 -0.9005 -0.9005 -0.8981 -0.8981 -0.5496 -0.5496 -0.5360 -0.5360 -0.2173 -0.2173 -0.2067 -0.2067 0.1069 0.1069 0.1130 0.1130 0.2264 0.2264 0.2310 0.2310 0.5363 0.5363 0.5447 0.5447 0.6828 0.6828 0.6834 0.6834 3.2219 3.2219 3.2242 3.2242 5.9105 5.9105 5.9114 5.9114 6.3911 6.3911 6.4014 6.4014 7.0113 7.0113 7.0158 7.0158 k = 0.0000 0.4413 0.2537 ( 11920 PWs) bands (ev): -15.6217 -15.6217 -15.6217 -15.6217 -13.6706 -13.6706 -13.6705 -13.6705 -13.5770 -13.5770 -13.5769 -13.5769 -12.9432 -12.9432 -12.9431 -12.9431 -12.2998 -12.2998 -12.2997 -12.2997 -8.3256 -8.3256 -8.3256 -8.3256 -4.2944 -4.2944 -4.2901 -4.2901 -4.1869 -4.1869 -4.1723 -4.1723 -4.0245 -4.0245 -4.0140 -4.0140 -1.6766 -1.6766 -1.6678 -1.6678 -1.5826 -1.5826 -1.5714 -1.5714 -1.2033 -1.2033 -1.1915 -1.1915 -0.9209 -0.9209 -0.9119 -0.9119 -0.8968 -0.8968 -0.8932 -0.8932 -0.5110 -0.5110 -0.4969 -0.4969 -0.2272 -0.2272 -0.2159 -0.2159 0.1126 0.1126 0.1198 0.1198 0.2425 0.2425 0.2455 0.2455 0.5319 0.5319 0.5404 0.5404 0.6671 0.6671 0.6674 0.6674 3.2587 3.2587 3.2611 3.2611 5.9116 5.9116 5.9125 5.9125 6.3918 6.3918 6.4032 6.4032 6.9180 6.9180 6.9240 6.9240 k = 0.0000 0.4413 0.2733 ( 11912 PWs) bands (ev): -15.6209 -15.6209 -15.6209 -15.6209 -13.6710 -13.6710 -13.6710 -13.6710 -13.5770 -13.5770 -13.5769 -13.5769 -12.9525 -12.9525 -12.9524 -12.9524 -12.2911 -12.2911 -12.2910 -12.2910 -8.3158 -8.3158 -8.3158 -8.3158 -4.2961 -4.2961 -4.2915 -4.2915 -4.1916 -4.1916 -4.1748 -4.1748 -4.0605 -4.0605 -4.0481 -4.0481 -1.6756 -1.6756 -1.6663 -1.6663 -1.5923 -1.5923 -1.5809 -1.5809 -1.1949 -1.1949 -1.1845 -1.1845 -0.9139 -0.9139 -0.9058 -0.9058 -0.8900 -0.8900 -0.8866 -0.8866 -0.4732 -0.4732 -0.4586 -0.4586 -0.2362 -0.2362 -0.2241 -0.2241 0.1182 0.1182 0.1261 0.1261 0.2578 0.2578 0.2597 0.2597 0.5274 0.5274 0.5357 0.5357 0.6515 0.6515 0.6516 0.6516 3.2954 3.2954 3.2977 3.2977 5.9118 5.9118 5.9127 5.9127 6.3919 6.3919 6.4045 6.4045 6.8306 6.8306 6.8381 6.8381 k = 0.0000 0.4413 0.2928 ( 11906 PWs) bands (ev): -15.6201 -15.6201 -15.6201 -15.6201 -13.6714 -13.6714 -13.6713 -13.6713 -13.5770 -13.5770 -13.5769 -13.5769 -12.9609 -12.9609 -12.9608 -12.9608 -12.2833 -12.2833 -12.2832 -12.2832 -8.3068 -8.3068 -8.3067 -8.3067 -4.2989 -4.2989 -4.2943 -4.2943 -4.1960 -4.1960 -4.1773 -4.1773 -4.0914 -4.0914 -4.0770 -4.0770 -1.6744 -1.6744 -1.6648 -1.6648 -1.6009 -1.6009 -1.5895 -1.5895 -1.1880 -1.1880 -1.1790 -1.1790 -0.9098 -0.9098 -0.9033 -0.9033 -0.8815 -0.8815 -0.8790 -0.8790 -0.4374 -0.4374 -0.4225 -0.4225 -0.2442 -0.2442 -0.2314 -0.2314 0.1235 0.1235 0.1317 0.1317 0.2725 0.2725 0.2736 0.2736 0.5226 0.5226 0.5306 0.5306 0.6364 0.6364 0.6365 0.6365 3.3309 3.3309 3.3330 3.3330 5.9110 5.9110 5.9119 5.9119 6.3912 6.3912 6.4050 6.4050 6.7512 6.7512 6.7602 6.7602 k = 0.0000 0.4413 0.3123 ( 11902 PWs) bands (ev): -15.6194 -15.6194 -15.6194 -15.6194 -13.6717 -13.6717 -13.6717 -13.6717 -13.5770 -13.5770 -13.5769 -13.5769 -12.9681 -12.9681 -12.9680 -12.9680 -12.2766 -12.2766 -12.2765 -12.2765 -8.2987 -8.2987 -8.2986 -8.2986 -4.3028 -4.3028 -4.2986 -4.2986 -4.1997 -4.1997 -4.1798 -4.1798 -4.1165 -4.1165 -4.1006 -4.1006 -1.6731 -1.6731 -1.6636 -1.6636 -1.6082 -1.6082 -1.5972 -1.5972 -1.1825 -1.1825 -1.1749 -1.1749 -0.9073 -0.9073 -0.9021 -0.9021 -0.8734 -0.8734 -0.8717 -0.8717 -0.4047 -0.4047 -0.3896 -0.3896 -0.2513 -0.2513 -0.2379 -0.2379 0.1286 0.1286 0.1363 0.1363 0.2863 0.2863 0.2868 0.2868 0.5175 0.5175 0.5250 0.5250 0.6223 0.6223 0.6227 0.6227 3.3641 3.3641 3.3660 3.3660 5.9092 5.9092 5.9100 5.9100 6.3898 6.3898 6.4044 6.4044 6.6819 6.6819 6.6924 6.6924 k = 0.0000 0.4413 0.3318 ( 11900 PWs) bands (ev): -15.6188 -15.6188 -15.6188 -15.6188 -13.6720 -13.6720 -13.6720 -13.6720 -13.5770 -13.5770 -13.5769 -13.5769 -12.9741 -12.9741 -12.9740 -12.9740 -12.2710 -12.2710 -12.2709 -12.2709 -8.2917 -8.2917 -8.2917 -8.2917 -4.3076 -4.3076 -4.3042 -4.3042 -4.2023 -4.2023 -4.1826 -4.1826 -4.1354 -4.1354 -4.1191 -4.1191 -1.6717 -1.6717 -1.6627 -1.6627 -1.6140 -1.6140 -1.6039 -1.6039 -1.1780 -1.1780 -1.1719 -1.1719 -0.9056 -0.9056 -0.9016 -0.9016 -0.8665 -0.8665 -0.8653 -0.8653 -0.3759 -0.3759 -0.3607 -0.3607 -0.2577 -0.2577 -0.2438 -0.2438 0.1331 0.1331 0.1400 0.1400 0.2990 0.2990 0.2991 0.2991 0.5123 0.5123 0.5189 0.5189 0.6101 0.6101 0.6106 0.6106 3.3936 3.3936 3.3952 3.3952 5.9067 5.9067 5.9074 5.9074 6.3875 6.3875 6.4023 6.4023 6.6249 6.6249 6.6362 6.6362 k = 0.0000 0.4413 0.3513 ( 11896 PWs) bands (ev): -15.6183 -15.6183 -15.6183 -15.6183 -13.6722 -13.6722 -13.6722 -13.6722 -13.5770 -13.5770 -13.5770 -13.5770 -12.9788 -12.9788 -12.9788 -12.9788 -12.2665 -12.2665 -12.2665 -12.2665 -8.2861 -8.2861 -8.2861 -8.2861 -4.3127 -4.3127 -4.3101 -4.3101 -4.2034 -4.2034 -4.1860 -4.1860 -4.1480 -4.1480 -4.1330 -4.1330 -1.6701 -1.6701 -1.6624 -1.6624 -1.6182 -1.6182 -1.6096 -1.6096 -1.1745 -1.1745 -1.1700 -1.1700 -0.9044 -0.9044 -0.9014 -0.9014 -0.8611 -0.8611 -0.8602 -0.8602 -0.3516 -0.3516 -0.3367 -0.3367 -0.2633 -0.2633 -0.2494 -0.2494 0.1371 0.1371 0.1427 0.1427 0.3101 0.3101 0.3101 0.3101 0.5073 0.5073 0.5126 0.5126 0.6002 0.6002 0.6007 0.6007 3.4183 3.4183 3.4196 3.4196 5.9038 5.9038 5.9043 5.9043 6.3846 6.3846 6.3982 6.3982 6.5817 6.5817 6.5926 6.5926 k = 0.0000 0.4413 0.3709 ( 11888 PWs) bands (ev): -15.6180 -15.6180 -15.6180 -15.6180 -13.6724 -13.6724 -13.6724 -13.6724 -13.5770 -13.5770 -13.5770 -13.5770 -12.9823 -12.9823 -12.9822 -12.9822 -12.2634 -12.2634 -12.2633 -12.2633 -8.2820 -8.2820 -8.2820 -8.2820 -4.3171 -4.3171 -4.3155 -4.3155 -4.2031 -4.2031 -4.1901 -4.1901 -4.1547 -4.1547 -4.1433 -4.1433 -1.6684 -1.6684 -1.6627 -1.6627 -1.6206 -1.6206 -1.6143 -1.6143 -1.1719 -1.1719 -1.1689 -1.1689 -0.9035 -0.9035 -0.9015 -0.9015 -0.8571 -0.8571 -0.8565 -0.8565 -0.3321 -0.3321 -0.3189 -0.3189 -0.2676 -0.2676 -0.2550 -0.2550 0.1404 0.1404 0.1443 0.1443 0.3189 0.3189 0.3190 0.3190 0.5029 0.5029 0.5067 0.5067 0.5930 0.5930 0.5934 0.5934 3.4370 3.4370 3.4379 3.4379 5.9011 5.9011 5.9014 5.9014 6.3820 6.3820 6.3926 6.3926 6.5529 6.5529 6.5617 6.5617 k = 0.0000 0.4413 0.3904 ( 11892 PWs) bands (ev): -15.6177 -15.6177 -15.6177 -15.6177 -13.6725 -13.6725 -13.6725 -13.6725 -13.5770 -13.5770 -13.5770 -13.5770 -12.9843 -12.9843 -12.9843 -12.9843 -12.2614 -12.2614 -12.2614 -12.2614 -8.2795 -8.2795 -8.2795 -8.2795 -4.3201 -4.3201 -4.3193 -4.3193 -4.2013 -4.2013 -4.1945 -4.1945 -4.1566 -4.1566 -4.1505 -4.1505 -1.6666 -1.6666 -1.6636 -1.6636 -1.6213 -1.6213 -1.6179 -1.6179 -1.1701 -1.1701 -1.1686 -1.1686 -0.9027 -0.9027 -0.9017 -0.9017 -0.8546 -0.8546 -0.8543 -0.8543 -0.3177 -0.3177 -0.3091 -0.3091 -0.2691 -0.2691 -0.2608 -0.2608 0.1428 0.1428 0.1448 0.1448 0.3247 0.3247 0.3248 0.3248 0.5002 0.5002 0.5022 0.5022 0.5887 0.5887 0.5889 0.5889 3.4487 3.4487 3.4492 3.4492 5.8991 5.8991 5.8993 5.8993 6.3809 6.3809 6.3867 6.3867 6.5378 6.5378 6.5427 6.5427 k = 0.0000 0.4413 0.4099 ( 11888 PWs) bands (ev): -15.6177 -15.6177 -15.6177 -15.6177 -13.6726 -13.6726 -13.6726 -13.6726 -13.5770 -13.5770 -13.5770 -13.5770 -12.9850 -12.9850 -12.9850 -12.9850 -12.2608 -12.2608 -12.2608 -12.2608 -8.2786 -8.2786 -8.2786 -8.2786 -4.3209 -4.3209 -4.3209 -4.3209 -4.1984 -4.1984 -4.1984 -4.1984 -4.1550 -4.1550 -4.1550 -4.1550 -1.6650 -1.6650 -1.6650 -1.6650 -1.6203 -1.6203 -1.6203 -1.6203 -1.1690 -1.1690 -1.1690 -1.1690 -0.9022 -0.9022 -0.9022 -0.9022 -0.8537 -0.8537 -0.8537 -0.8537 -0.3093 -0.3093 -0.3093 -0.3093 -0.2662 -0.2662 -0.2662 -0.2662 0.1443 0.1443 0.1443 0.1443 0.3268 0.3268 0.3268 0.3268 0.4999 0.4999 0.4999 0.4999 0.5874 0.5874 0.5874 0.5874 3.4528 3.4528 3.4528 3.4528 5.8985 5.8985 5.8985 5.8985 6.3824 6.3824 6.3824 6.3824 6.5348 6.5348 6.5348 6.5348 k = 0.5000-0.0000 0.4099 ( 11896 PWs) bands (ev): -15.5935 -15.5935 -15.5935 -15.5935 -13.7270 -13.7270 -13.7270 -13.7270 -13.5708 -13.5708 -13.5708 -13.5708 -12.9884 -12.9884 -12.9884 -12.9884 -12.2500 -12.2500 -12.2500 -12.2500 -8.3178 -8.3178 -8.3178 -8.3178 -4.2472 -4.2472 -4.2472 -4.2472 -4.1053 -4.1053 -4.1053 -4.1053 -3.9879 -3.9879 -3.9879 -3.9879 -1.7101 -1.7101 -1.7101 -1.7101 -1.6770 -1.6770 -1.6770 -1.6770 -1.5630 -1.5630 -1.5630 -1.5630 -1.0062 -1.0062 -1.0062 -1.0062 -0.4990 -0.4990 -0.4990 -0.4990 -0.2472 -0.2472 -0.2472 -0.2472 -0.2201 -0.2201 -0.2201 -0.2201 0.1471 0.1471 0.1471 0.1471 0.2638 0.2638 0.2638 0.2638 0.5536 0.5536 0.5536 0.5536 0.6387 0.6387 0.6387 0.6387 3.0486 3.0486 3.0486 3.0486 5.8037 5.8037 5.8037 5.8037 6.0352 6.0352 6.0352 6.0352 6.4229 6.4229 6.4229 6.4229 k = 0.5000-0.0000 0.3904 ( 11894 PWs) bands (ev): -15.5949 -15.5949 -15.5923 -15.5923 -13.7285 -13.7285 -13.7256 -13.7256 -13.5717 -13.5717 -13.5698 -13.5698 -12.9892 -12.9892 -12.9861 -12.9861 -12.2509 -12.2509 -12.2504 -12.2504 -8.3200 -8.3200 -8.3172 -8.3172 -4.2484 -4.2484 -4.2410 -4.2410 -4.1066 -4.1066 -4.1030 -4.1030 -3.9934 -3.9934 -3.9823 -3.9823 -1.7227 -1.7227 -1.6999 -1.6999 -1.6819 -1.6819 -1.6687 -1.6687 -1.5658 -1.5658 -1.5598 -1.5598 -1.0161 -1.0161 -0.9984 -0.9984 -0.5245 -0.5245 -0.4802 -0.4802 -0.2616 -0.2616 -0.2346 -0.2346 -0.2236 -0.2236 -0.2145 -0.2145 0.1403 0.1403 0.1536 0.1536 0.2624 0.2624 0.2641 0.2641 0.5394 0.5394 0.5690 0.5690 0.6283 0.6283 0.6503 0.6503 3.0324 3.0324 3.0566 3.0566 5.7975 5.7975 5.8095 5.8095 6.0214 6.0214 6.0487 6.0487 6.4301 6.4301 6.4312 6.4312 k = 0.5000-0.0000 0.3709 ( 11888 PWs) bands (ev): -15.5964 -15.5964 -15.5913 -15.5913 -13.7299 -13.7299 -13.7240 -13.7240 -13.5727 -13.5727 -13.5689 -13.5689 -12.9886 -12.9886 -12.9824 -12.9824 -12.2531 -12.2531 -12.2521 -12.2521 -8.3239 -8.3239 -8.3183 -8.3183 -4.2448 -4.2448 -4.2300 -4.2300 -4.1063 -4.1063 -4.0996 -4.0996 -3.9987 -3.9987 -3.9766 -3.9766 -1.7367 -1.7367 -1.6917 -1.6917 -1.6840 -1.6840 -1.6576 -1.6576 -1.5681 -1.5681 -1.5564 -1.5564 -1.0279 -1.0279 -0.9928 -0.9928 -0.5558 -0.5558 -0.4690 -0.4690 -0.2751 -0.2751 -0.2288 -0.2288 -0.2238 -0.2238 -0.2047 -0.2047 0.1333 0.1333 0.1598 0.1598 0.2603 0.2603 0.2631 0.2631 0.5271 0.5271 0.5851 0.5851 0.6197 0.6197 0.6631 0.6631 3.0083 3.0083 3.0562 3.0562 5.7909 5.7909 5.8150 5.8150 6.0074 6.0074 6.0620 6.0620 6.4526 6.4526 6.4544 6.4544 k = 0.5000-0.0000 0.3513 ( 11900 PWs) bands (ev): -15.5980 -15.5980 -15.5903 -15.5903 -13.7313 -13.7313 -13.7225 -13.7225 -13.5736 -13.5736 -13.5679 -13.5679 -12.9866 -12.9866 -12.9773 -12.9773 -12.2565 -12.2565 -12.2551 -12.2551 -8.3293 -8.3293 -8.3210 -8.3210 -4.2369 -4.2369 -4.2147 -4.2147 -4.1041 -4.1041 -4.0950 -4.0950 -4.0038 -4.0038 -3.9708 -3.9708 -1.7515 -1.7515 -1.6847 -1.6847 -1.6837 -1.6837 -1.6452 -1.6452 -1.5695 -1.5695 -1.5528 -1.5528 -1.0415 -1.0415 -0.9895 -0.9895 -0.5926 -0.5926 -0.4666 -0.4666 -0.2863 -0.2863 -0.2308 -0.2308 -0.2198 -0.2198 -0.1914 -0.1914 0.1263 0.1263 0.1657 0.1657 0.2575 0.2575 0.2602 0.2602 0.5172 0.5172 0.5998 0.5998 0.6145 0.6145 0.6768 0.6768 2.9773 2.9773 3.0479 3.0479 5.7841 5.7841 5.8200 5.8200 5.9931 5.9931 6.0749 6.0749 6.4900 6.4900 6.4919 6.4919 k = 0.5000-0.0000 0.3318 ( 11904 PWs) bands (ev): -15.5997 -15.5997 -15.5896 -15.5896 -13.7326 -13.7326 -13.7209 -13.7209 -13.5746 -13.5746 -13.5670 -13.5670 -12.9832 -12.9832 -12.9709 -12.9709 -12.2612 -12.2612 -12.2593 -12.2593 -8.3361 -8.3361 -8.3252 -8.3252 -4.2257 -4.2257 -4.1961 -4.1961 -4.0987 -4.0987 -4.0888 -4.0888 -4.0084 -4.0084 -3.9651 -3.9651 -1.7664 -1.7664 -1.6825 -1.6825 -1.6770 -1.6770 -1.6332 -1.6332 -1.5695 -1.5695 -1.5490 -1.5490 -1.0567 -1.0567 -0.9885 -0.9885 -0.6342 -0.6342 -0.4738 -0.4738 -0.2937 -0.2937 -0.2334 -0.2334 -0.2164 -0.2164 -0.1769 -0.1769 0.1191 0.1191 0.1711 0.1711 0.2539 0.2539 0.2556 0.2556 0.5101 0.5101 0.6021 0.6021 0.6232 0.6232 0.6913 0.6913 2.9405 2.9405 3.0323 3.0323 5.7769 5.7769 5.8244 5.8244 5.9786 5.9786 6.0872 6.0872 6.5414 6.5414 6.5426 6.5426 k = 0.5000-0.0000 0.3123 ( 11900 PWs) bands (ev): -15.6015 -15.6015 -15.5890 -15.5890 -13.7338 -13.7338 -13.7194 -13.7194 -13.5755 -13.5755 -13.5661 -13.5661 -12.9785 -12.9785 -12.9632 -12.9632 -12.2670 -12.2670 -12.2647 -12.2647 -8.3442 -8.3442 -8.3308 -8.3308 -4.2131 -4.2131 -4.1761 -4.1761 -4.0888 -4.0888 -4.0798 -4.0798 -4.0123 -4.0123 -3.9593 -3.9593 -1.7812 -1.7812 -1.6794 -1.6794 -1.6691 -1.6691 -1.6230 -1.6230 -1.5673 -1.5673 -1.5452 -1.5452 -1.0732 -1.0732 -0.9900 -0.9900 -0.6803 -0.6803 -0.4903 -0.4903 -0.2972 -0.2972 -0.2361 -0.2361 -0.2136 -0.2136 -0.1623 -0.1623 0.1120 0.1120 0.1759 0.1759 0.2467 0.2467 0.2514 0.2514 0.5060 0.5060 0.5985 0.5985 0.6394 0.6394 0.7062 0.7062 2.8990 2.8990 3.0104 3.0104 5.7694 5.7694 5.8282 5.8282 5.9641 5.9641 6.0989 6.0989 6.6047 6.6047 6.6061 6.6061 k = 0.5000-0.0000 0.2928 ( 11908 PWs) bands (ev): -15.6034 -15.6034 -15.5885 -15.5885 -13.7350 -13.7350 -13.7179 -13.7179 -13.5764 -13.5764 -13.5652 -13.5652 -12.9725 -12.9725 -12.9543 -12.9543 -12.2740 -12.2740 -12.2713 -12.2713 -8.3534 -8.3534 -8.3376 -8.3376 -4.2011 -4.2011 -4.1571 -4.1571 -4.0738 -4.0738 -4.0660 -4.0660 -4.0144 -4.0144 -3.9534 -3.9534 -1.7956 -1.7956 -1.6752 -1.6752 -1.6608 -1.6608 -1.6157 -1.6157 -1.5618 -1.5618 -1.5413 -1.5413 -1.0910 -1.0910 -0.9939 -0.9939 -0.7304 -0.7304 -0.5149 -0.5149 -0.2974 -0.2974 -0.2387 -0.2387 -0.2110 -0.2110 -0.1477 -0.1477 0.1050 0.1050 0.1800 0.1800 0.2361 0.2361 0.2477 0.2477 0.5050 0.5050 0.5954 0.5954 0.6562 0.6562 0.7214 0.7214 2.8543 2.8543 2.9835 2.9835 5.7616 5.7616 5.8313 5.8313 5.9495 5.9495 6.1098 6.1098 6.6770 6.6770 6.6820 6.6820 k = 0.5000-0.0000 0.2733 ( 11912 PWs) bands (ev): -15.6053 -15.6053 -15.5882 -15.5882 -13.7361 -13.7361 -13.7164 -13.7164 -13.5772 -13.5772 -13.5643 -13.5643 -12.9654 -12.9654 -12.9443 -12.9443 -12.2820 -12.2820 -12.2789 -12.2789 -8.3634 -8.3634 -8.3455 -8.3455 -4.1915 -4.1915 -4.1412 -4.1412 -4.0558 -4.0558 -4.0467 -4.0467 -4.0103 -4.0103 -3.9474 -3.9474 -1.8095 -1.8095 -1.6700 -1.6700 -1.6523 -1.6523 -1.6111 -1.6111 -1.5532 -1.5532 -1.5372 -1.5372 -1.1097 -1.1097 -1.0001 -1.0001 -0.7839 -0.7839 -0.5458 -0.5458 -0.2953 -0.2953 -0.2413 -0.2413 -0.2086 -0.2086 -0.1332 -0.1332 0.0981 0.0981 0.1829 0.1829 0.2229 0.2229 0.2439 0.2439 0.5068 0.5068 0.5935 0.5935 0.6726 0.6726 0.7366 0.7366 2.8078 2.8078 2.9526 2.9526 5.7536 5.7536 5.8337 5.8337 5.9351 5.9351 6.1199 6.1199 6.7573 6.7573 6.7678 6.7678 k = 0.5000-0.0000 0.2537 ( 11914 PWs) bands (ev): -15.6072 -15.6072 -15.5879 -15.5879 -13.7372 -13.7372 -13.7149 -13.7149 -13.5780 -13.5780 -13.5635 -13.5635 -12.9572 -12.9572 -12.9333 -12.9333 -12.2908 -12.2908 -12.2875 -12.2875 -8.3741 -8.3741 -8.3542 -8.3542 -4.1850 -4.1850 -4.1292 -4.1292 -4.0437 -4.0437 -4.0238 -4.0238 -3.9894 -3.9894 -3.9408 -3.9408 -1.8229 -1.8229 -1.6639 -1.6639 -1.6443 -1.6443 -1.6076 -1.6076 -1.5428 -1.5428 -1.5329 -1.5329 -1.1293 -1.1293 -1.0086 -1.0086 -0.8403 -0.8403 -0.5813 -0.5813 -0.2916 -0.2916 -0.2438 -0.2438 -0.2064 -0.2064 -0.1188 -0.1188 0.0913 0.0913 0.1838 0.1838 0.2081 0.2081 0.2404 0.2404 0.5108 0.5108 0.5929 0.5929 0.6885 0.6885 0.7516 0.7516 2.7605 2.7605 2.9191 2.9191 5.7455 5.7455 5.8354 5.8354 5.9210 5.9210 6.1290 6.1290 6.8439 6.8439 6.8616 6.8616 k = 0.5000-0.0000 0.2342 ( 11920 PWs) bands (ev): -15.6091 -15.6091 -15.5878 -15.5878 -13.7382 -13.7382 -13.7135 -13.7135 -13.5788 -13.5788 -13.5628 -13.5628 -12.9480 -12.9480 -12.9215 -12.9215 -12.3005 -12.3005 -12.2970 -12.2970 -8.3851 -8.3851 -8.3635 -8.3635 -4.1810 -4.1810 -4.1205 -4.1205 -4.0423 -4.0423 -3.9945 -3.9945 -3.9533 -3.9533 -3.9324 -3.9324 -1.8355 -1.8355 -1.6576 -1.6576 -1.6382 -1.6382 -1.6027 -1.6027 -1.5331 -1.5331 -1.5267 -1.5267 -1.1494 -1.1494 -1.0193 -1.0193 -0.8989 -0.8989 -0.6203 -0.6203 -0.2867 -0.2867 -0.2462 -0.2462 -0.2042 -0.2042 -0.1045 -0.1045 0.0848 0.0848 0.1786 0.1786 0.1957 0.1957 0.2374 0.2374 0.5166 0.5166 0.5934 0.5934 0.7037 0.7037 0.7662 0.7662 2.7137 2.7137 2.8842 2.8842 5.7374 5.7374 5.8365 5.8365 5.9074 5.9074 6.1373 6.1373 6.9347 6.9347 6.9613 6.9613 k = 0.5000-0.0000 0.2147 ( 11916 PWs) bands (ev): -15.6110 -15.6110 -15.5878 -15.5878 -13.7391 -13.7391 -13.7121 -13.7121 -13.5795 -13.5795 -13.5620 -13.5620 -12.9382 -12.9382 -12.9090 -12.9090 -12.3108 -12.3108 -12.3072 -12.3072 -8.3963 -8.3963 -8.3731 -8.3731 -4.1789 -4.1789 -4.1142 -4.1142 -4.0442 -4.0442 -3.9652 -3.9652 -3.9197 -3.9197 -3.9089 -3.9089 -1.8473 -1.8473 -1.6524 -1.6524 -1.6338 -1.6338 -1.5946 -1.5946 -1.5276 -1.5276 -1.5162 -1.5162 -1.1700 -1.1700 -1.0319 -1.0319 -0.9590 -0.9590 -0.6614 -0.6614 -0.2808 -0.2808 -0.2485 -0.2485 -0.2022 -0.2022 -0.0903 -0.0903 0.0783 0.0783 0.1629 0.1629 0.1901 0.1901 0.2354 0.2354 0.5235 0.5235 0.5949 0.5949 0.7179 0.7179 0.7802 0.7802 2.6683 2.6683 2.8489 2.8489 5.7295 5.7295 5.8371 5.8371 5.8943 5.8943 6.1447 6.1447 7.0278 7.0278 7.0650 7.0650 k = 0.5000-0.0000 0.1952 ( 11918 PWs) bands (ev): -15.6128 -15.6128 -15.5879 -15.5879 -13.7399 -13.7399 -13.7108 -13.7108 -13.5802 -13.5802 -13.5613 -13.5613 -12.9277 -12.9277 -12.8960 -12.8960 -12.3216 -12.3216 -12.3180 -12.3180 -8.4074 -8.4074 -8.3828 -8.3828 -4.1779 -4.1779 -4.1094 -4.1094 -4.0469 -4.0469 -3.9462 -3.9462 -3.8914 -3.8914 -3.8628 -3.8628 -1.8583 -1.8583 -1.6509 -1.6509 -1.6283 -1.6283 -1.5836 -1.5836 -1.5237 -1.5237 -1.5044 -1.5044 -1.1908 -1.1908 -1.0465 -1.0465 -1.0194 -1.0194 -0.7035 -0.7035 -0.2739 -0.2739 -0.2506 -0.2506 -0.2003 -0.2003 -0.0762 -0.0762 0.0718 0.0718 0.1430 0.1430 0.1859 0.1859 0.2345 0.2345 0.5310 0.5310 0.5972 0.5972 0.7312 0.7312 0.7934 0.7934 2.6252 2.6252 2.8141 2.8141 5.7218 5.7218 5.8373 5.8373 5.8819 5.8819 6.1512 6.1512 7.1213 7.1213 7.1707 7.1707 k = 0.5000-0.0000 0.1757 ( 11906 PWs) bands (ev): -15.6145 -15.6145 -15.5880 -15.5880 -13.7407 -13.7407 -13.7096 -13.7096 -13.5808 -13.5808 -13.5607 -13.5607 -12.9168 -12.9168 -12.8827 -12.8827 -12.3327 -12.3327 -12.3292 -12.3292 -8.4182 -8.4182 -8.3924 -8.3924 -4.1776 -4.1776 -4.1056 -4.1056 -4.0497 -4.0497 -3.9367 -3.9367 -3.8519 -3.8519 -3.8146 -3.8146 -1.8683 -1.8683 -1.6537 -1.6537 -1.6201 -1.6201 -1.5706 -1.5706 -1.5202 -1.5202 -1.4930 -1.4930 -1.2115 -1.2115 -1.0810 -1.0810 -1.0610 -1.0610 -0.7457 -0.7457 -0.2661 -0.2661 -0.2523 -0.2523 -0.1986 -0.1986 -0.0624 -0.0624 0.0647 0.0647 0.1222 0.1222 0.1803 0.1803 0.2346 0.2346 0.5387 0.5387 0.6003 0.6003 0.7435 0.7435 0.8057 0.8057 2.5849 2.5849 2.7807 2.7807 5.7144 5.7144 5.8371 5.8371 5.8703 5.8703 6.1569 6.1569 7.2134 7.2134 7.2764 7.2764 k = 0.5000-0.0000 0.1561 ( 11904 PWs) bands (ev): -15.6162 -15.6162 -15.5881 -15.5881 -13.7414 -13.7414 -13.7085 -13.7085 -13.5814 -13.5814 -13.5601 -13.5601 -12.9059 -12.9059 -12.8694 -12.8694 -12.3439 -12.3439 -12.3405 -12.3405 -8.4285 -8.4285 -8.4017 -8.4017 -4.1777 -4.1777 -4.1025 -4.1025 -4.0524 -4.0524 -3.9309 -3.9309 -3.8085 -3.8085 -3.7662 -3.7662 -1.8773 -1.8773 -1.6593 -1.6593 -1.6101 -1.6101 -1.5568 -1.5568 -1.5168 -1.5168 -1.4822 -1.4822 -1.2320 -1.2320 -1.1396 -1.1396 -1.0782 -1.0782 -0.7869 -0.7869 -0.2583 -0.2583 -0.2527 -0.2527 -0.1970 -0.1970 -0.0490 -0.0490 0.0560 0.0560 0.1029 0.1029 0.1733 0.1733 0.2355 0.2355 0.5461 0.5461 0.6039 0.6039 0.7547 0.7547 0.8170 0.8170 2.5480 2.5480 2.7494 2.7494 5.7075 5.7075 5.8366 5.8366 5.8597 5.8597 6.1618 6.1618 7.3022 7.3022 7.3799 7.3799 k = 0.5000-0.0000 0.1366 ( 11910 PWs) bands (ev): -15.6177 -15.6177 -15.5883 -15.5883 -13.7420 -13.7420 -13.7075 -13.7075 -13.5819 -13.5819 -13.5596 -13.5596 -12.8950 -12.8950 -12.8564 -12.8564 -12.3548 -12.3548 -12.3518 -12.3518 -8.4380 -8.4380 -8.4104 -8.4104 -4.1780 -4.1780 -4.1000 -4.1000 -4.0549 -4.0549 -3.9266 -3.9266 -3.7644 -3.7644 -3.7190 -3.7190 -1.8852 -1.8852 -1.6667 -1.6667 -1.5991 -1.5991 -1.5432 -1.5432 -1.5133 -1.5133 -1.4724 -1.4724 -1.2519 -1.2519 -1.1958 -1.1958 -1.0957 -1.0957 -0.8261 -0.8261 -0.2571 -0.2571 -0.2450 -0.2450 -0.1955 -0.1955 -0.0365 -0.0365 0.0441 0.0441 0.0873 0.0873 0.1651 0.1651 0.2368 0.2368 0.5530 0.5530 0.6078 0.6078 0.7646 0.7646 0.8271 0.8271 2.5149 2.5149 2.7206 2.7206 5.7012 5.7012 5.8360 5.8360 5.8501 5.8501 6.1660 6.1660 7.3858 7.3858 7.4792 7.4792 k = 0.5000-0.0000 0.1171 ( 11910 PWs) bands (ev): -15.6190 -15.6190 -15.5885 -15.5885 -13.7425 -13.7425 -13.7067 -13.7067 -13.5824 -13.5824 -13.5592 -13.5592 -12.8847 -12.8847 -12.8440 -12.8440 -12.3653 -12.3653 -12.3626 -12.3626 -8.4467 -8.4467 -8.4183 -8.4183 -4.1785 -4.1785 -4.0980 -4.0980 -4.0572 -4.0572 -3.9231 -3.9231 -3.7218 -3.7218 -3.6742 -3.6742 -1.8920 -1.8920 -1.6749 -1.6749 -1.5876 -1.5876 -1.5311 -1.5311 -1.5089 -1.5089 -1.4636 -1.4636 -1.2711 -1.2711 -1.2479 -1.2479 -1.1134 -1.1134 -0.8622 -0.8622 -0.2582 -0.2582 -0.2334 -0.2334 -0.1941 -0.1941 -0.0265 -0.0265 0.0294 0.0294 0.0771 0.0771 0.1559 0.1559 0.2383 0.2383 0.5592 0.5592 0.6119 0.6119 0.7733 0.7733 0.8361 0.8361 2.4858 2.4858 2.6949 2.6949 5.6956 5.6956 5.8353 5.8353 5.8416 5.8416 6.1696 6.1696 7.4626 7.4626 7.5721 7.5721 k = 0.5000-0.0000 0.0976 ( 11910 PWs) bands (ev): -15.6202 -15.6202 -15.5887 -15.5887 -13.7430 -13.7430 -13.7059 -13.7059 -13.5828 -13.5828 -13.5588 -13.5588 -12.8750 -12.8750 -12.8325 -12.8325 -12.3749 -12.3749 -12.3727 -12.3727 -8.4543 -8.4543 -8.4254 -8.4254 -4.1790 -4.1790 -4.0963 -4.0963 -4.0591 -4.0591 -3.9203 -3.9203 -3.6823 -3.6823 -3.6333 -3.6333 -1.8977 -1.8977 -1.6836 -1.6836 -1.5760 -1.5760 -1.5229 -1.5229 -1.5021 -1.5021 -1.4560 -1.4560 -1.2957 -1.2957 -1.2878 -1.2878 -1.1308 -1.1308 -0.8943 -0.8943 -0.2594 -0.2594 -0.2203 -0.2203 -0.1928 -0.1928 -0.0243 -0.0243 0.0189 0.0189 0.0709 0.0709 0.1460 0.1460 0.2398 0.2398 0.5645 0.5645 0.6158 0.6158 0.7808 0.7808 0.8437 0.8437 2.4611 2.4611 2.6727 2.6727 5.6906 5.6906 5.8342 5.8342 5.8346 5.8346 6.1725 6.1725 7.5309 7.5309 7.6562 7.6562 k = 0.5000-0.0000 0.0781 ( 11898 PWs) bands (ev): -15.6211 -15.6211 -15.5889 -15.5889 -13.7433 -13.7433 -13.7053 -13.7053 -13.5831 -13.5831 -13.5585 -13.5585 -12.8665 -12.8665 -12.8223 -12.8223 -12.3834 -12.3834 -12.3817 -12.3817 -8.4607 -8.4607 -8.4313 -8.4313 -4.1794 -4.1794 -4.0949 -4.0949 -4.0607 -4.0607 -3.9180 -3.9180 -3.6473 -3.6473 -3.5975 -3.5975 -1.9023 -1.9023 -1.6920 -1.6920 -1.5647 -1.5647 -1.5193 -1.5193 -1.4938 -1.4938 -1.4495 -1.4495 -1.3342 -1.3342 -1.3045 -1.3045 -1.1470 -1.1470 -0.9216 -0.9216 -0.2603 -0.2603 -0.2062 -0.2062 -0.1913 -0.1913 -0.0362 -0.0362 0.0203 0.0203 0.0673 0.0673 0.1357 0.1357 0.2411 0.2411 0.5689 0.5689 0.6193 0.6193 0.7869 0.7869 0.8500 0.8500 2.4407 2.4407 2.6541 2.6541 5.6865 5.6865 5.8282 5.8282 5.8339 5.8339 6.1748 6.1748 7.5891 7.5891 7.7295 7.7295 k = 0.5000-0.0000 0.0586 ( 11916 PWs) bands (ev): -15.6219 -15.6219 -15.5890 -15.5890 -13.7436 -13.7436 -13.7048 -13.7048 -13.5833 -13.5833 -13.5582 -13.5582 -12.8595 -12.8595 -12.8138 -12.8138 -12.3905 -12.3905 -12.3893 -12.3893 -8.4658 -8.4658 -8.4361 -8.4361 -4.1798 -4.1798 -4.0939 -4.0939 -4.0619 -4.0619 -3.9163 -3.9163 -3.6184 -3.6184 -3.5680 -3.5680 -1.9057 -1.9057 -1.6996 -1.6996 -1.5543 -1.5543 -1.5184 -1.5184 -1.4868 -1.4868 -1.4440 -1.4440 -1.3642 -1.3642 -1.3182 -1.3182 -1.1613 -1.1613 -0.9435 -0.9435 -0.2611 -0.2611 -0.1951 -0.1951 -0.1857 -0.1857 -0.0556 -0.0556 0.0282 0.0282 0.0655 0.0655 0.1253 0.1253 0.2422 0.2422 0.5724 0.5724 0.6224 0.6224 0.7917 0.7917 0.8550 0.8550 2.4248 2.4248 2.6395 2.6395 5.6832 5.6832 5.8234 5.8234 5.8332 5.8332 6.1766 6.1766 7.6359 7.6359 7.7896 7.7896 k = 0.5000-0.0000 0.0390 ( 11912 PWs) bands (ev): -15.6225 -15.6225 -15.5891 -15.5891 -13.7438 -13.7438 -13.7044 -13.7044 -13.5835 -13.5835 -13.5580 -13.5580 -12.8542 -12.8542 -12.8075 -12.8075 -12.3958 -12.3958 -12.3950 -12.3950 -8.4695 -8.4695 -8.4395 -8.4395 -4.1801 -4.1801 -4.0931 -4.0931 -4.0628 -4.0628 -3.9151 -3.9151 -3.5967 -3.5967 -3.5460 -3.5460 -1.9081 -1.9081 -1.7056 -1.7056 -1.5454 -1.5454 -1.5194 -1.5194 -1.4832 -1.4832 -1.4393 -1.4393 -1.3841 -1.3841 -1.3287 -1.3287 -1.1726 -1.1726 -0.9595 -0.9595 -0.2617 -0.2617 -0.1925 -0.1925 -0.1711 -0.1711 -0.0764 -0.0764 0.0363 0.0363 0.0655 0.0655 0.1155 0.1155 0.2431 0.2431 0.5749 0.5749 0.6246 0.6246 0.7952 0.7952 0.8586 0.8586 2.4134 2.4134 2.6289 2.6289 5.6809 5.6809 5.8200 5.8200 5.8328 5.8328 6.1778 6.1778 7.6702 7.6702 7.8343 7.8343 k = 0.5000-0.0000 0.0195 ( 11916 PWs) bands (ev): -15.6228 -15.6228 -15.5892 -15.5892 -13.7440 -13.7440 -13.7042 -13.7042 -13.5836 -13.5836 -13.5579 -13.5579 -12.8509 -12.8509 -12.8035 -12.8035 -12.3991 -12.3991 -12.3985 -12.3985 -8.4717 -8.4717 -8.4417 -8.4417 -4.1803 -4.1803 -4.0927 -4.0927 -4.0634 -4.0634 -3.9143 -3.9143 -3.5832 -3.5832 -3.5325 -3.5325 -1.9095 -1.9095 -1.7094 -1.7094 -1.5389 -1.5389 -1.5211 -1.5211 -1.4824 -1.4824 -1.4360 -1.4360 -1.3947 -1.3947 -1.3355 -1.3355 -1.1799 -1.1799 -0.9692 -0.9692 -0.2621 -0.2621 -0.1918 -0.1918 -0.1556 -0.1556 -0.0950 -0.0950 0.0418 0.0418 0.0672 0.0672 0.1076 0.1076 0.2436 0.2436 0.5763 0.5763 0.6260 0.6260 0.7972 0.7972 0.8607 0.8607 2.4066 2.4066 2.6225 2.6225 5.6794 5.6794 5.8179 5.8179 5.8325 5.8325 6.1785 6.1785 7.6912 7.6912 7.8620 7.8620 k = 0.5000-0.0000-0.0000 ( 11922 PWs) bands (ev): -15.6229 -15.6229 -15.5892 -15.5892 -13.7440 -13.7440 -13.7041 -13.7041 -13.5836 -13.5836 -13.5579 -13.5579 -12.8497 -12.8497 -12.8022 -12.8022 -12.4002 -12.4002 -12.3997 -12.3997 -8.4725 -8.4725 -8.4424 -8.4424 -4.1803 -4.1803 -4.0926 -4.0926 -4.0636 -4.0636 -3.9141 -3.9141 -3.5787 -3.5787 -3.5279 -3.5279 -1.9100 -1.9100 -1.7108 -1.7108 -1.5363 -1.5363 -1.5221 -1.5221 -1.4825 -1.4825 -1.4347 -1.4347 -1.3979 -1.3979 -1.3378 -1.3378 -1.1825 -1.1825 -0.9725 -0.9725 -0.2622 -0.2622 -0.1916 -0.1916 -0.1474 -0.1474 -0.1043 -0.1043 0.0437 0.0437 0.0685 0.0685 0.1043 0.1043 0.2438 0.2438 0.5768 0.5768 0.6265 0.6265 0.7979 0.7979 0.8614 0.8614 2.4043 2.4043 2.6204 2.6204 5.6789 5.6789 5.8172 5.8172 5.8324 5.8324 6.1788 6.1788 7.6982 7.6982 7.8714 7.8714 k = 0.5000 0.4413-0.0000 ( 11936 PWs) bands (ev): -15.5892 -15.5892 -15.5892 -15.5892 -13.7086 -13.7086 -13.7086 -13.7086 -13.6485 -13.6485 -13.6485 -13.6485 -12.8259 -12.8259 -12.8259 -12.8259 -12.3751 -12.3751 -12.3751 -12.3751 -8.3471 -8.3471 -8.3471 -8.3471 -4.3006 -4.3006 -4.3006 -4.3006 -3.9615 -3.9615 -3.9615 -3.9615 -3.5470 -3.5470 -3.5470 -3.5470 -1.9551 -1.9551 -1.9551 -1.9551 -1.5973 -1.5973 -1.5973 -1.5973 -1.4446 -1.4446 -1.4446 -1.4446 -1.1986 -1.1986 -1.1986 -1.1986 -1.0093 -1.0093 -1.0093 -1.0093 -0.4080 -0.4080 -0.4080 -0.4080 -0.1114 -0.1114 -0.1114 -0.1114 0.0328 0.0328 0.0328 0.0328 0.1398 0.1398 0.1398 0.1398 0.5866 0.5866 0.5866 0.5866 0.7853 0.7853 0.7853 0.7853 2.8813 2.8813 2.8813 2.8813 5.6569 5.6569 5.6569 5.6569 6.4081 6.4081 6.4081 6.4081 7.8746 7.8746 7.8746 7.8746 k = 0.5000 0.4413 0.0195 ( 11924 PWs) bands (ev): -15.5891 -15.5891 -15.5891 -15.5891 -13.7085 -13.7085 -13.7085 -13.7085 -13.6486 -13.6486 -13.6486 -13.6486 -12.8272 -12.8272 -12.8272 -12.8272 -12.3739 -12.3739 -12.3739 -12.3739 -8.3464 -8.3464 -8.3464 -8.3464 -4.3008 -4.3008 -4.3008 -4.3008 -3.9617 -3.9617 -3.9614 -3.9614 -3.5516 -3.5516 -3.5511 -3.5511 -1.9550 -1.9550 -1.9545 -1.9545 -1.5974 -1.5974 -1.5962 -1.5962 -1.4445 -1.4445 -1.4438 -1.4438 -1.1991 -1.1991 -1.1986 -1.1986 -1.0067 -1.0067 -1.0055 -1.0055 -0.4081 -0.4081 -0.4076 -0.4076 -0.1103 -0.1103 -0.1093 -0.1093 0.0323 0.0323 0.0331 0.0331 0.1392 0.1392 0.1410 0.1410 0.5860 0.5860 0.5862 0.5862 0.7842 0.7842 0.7850 0.7850 2.8832 2.8832 2.8834 2.8834 5.6571 5.6571 5.6573 5.6573 6.4076 6.4076 6.4089 6.4089 7.8659 7.8659 7.8671 7.8671 k = 0.5000 0.4413 0.0390 ( 11920 PWs) bands (ev): -15.5889 -15.5889 -15.5889 -15.5889 -13.7084 -13.7084 -13.7083 -13.7083 -13.6488 -13.6488 -13.6487 -13.6487 -12.8309 -12.8309 -12.8309 -12.8309 -12.3704 -12.3704 -12.3704 -12.3704 -8.3441 -8.3441 -8.3441 -8.3441 -4.3013 -4.3013 -4.3013 -4.3013 -3.9619 -3.9619 -3.9613 -3.9613 -3.5647 -3.5647 -3.5639 -3.5639 -1.9541 -1.9541 -1.9531 -1.9531 -1.5967 -1.5967 -1.5942 -1.5942 -1.4435 -1.4435 -1.4422 -1.4422 -1.2001 -1.2001 -1.1990 -1.1990 -0.9978 -0.9978 -0.9954 -0.9954 -0.4081 -0.4081 -0.4072 -0.4072 -0.1062 -0.1062 -0.1043 -0.1043 0.0315 0.0315 0.0331 0.0331 0.1391 0.1391 0.1426 0.1426 0.5842 0.5842 0.5846 0.5846 0.7818 0.7818 0.7834 0.7834 2.8889 2.8889 2.8893 2.8893 5.6580 5.6580 5.6583 5.6583 6.4076 6.4076 6.4102 6.4102 7.8413 7.8413 7.8438 7.8438 k = 0.5000 0.4413 0.0586 ( 11932 PWs) bands (ev): -15.5885 -15.5885 -15.5885 -15.5885 -13.7081 -13.7081 -13.7081 -13.7081 -13.6491 -13.6491 -13.6490 -13.6490 -12.8368 -12.8368 -12.8368 -12.8368 -12.3648 -12.3648 -12.3648 -12.3648 -8.3405 -8.3405 -8.3405 -8.3405 -4.3022 -4.3022 -4.3022 -4.3022 -3.9621 -3.9621 -3.9611 -3.9611 -3.5859 -3.5859 -3.5846 -3.5846 -1.9525 -1.9525 -1.9510 -1.9510 -1.5958 -1.5958 -1.5921 -1.5921 -1.4415 -1.4415 -1.4396 -1.4396 -1.2013 -1.2013 -1.1996 -1.1996 -0.9824 -0.9824 -0.9791 -0.9791 -0.4080 -0.4080 -0.4066 -0.4066 -0.0990 -0.0990 -0.0963 -0.0963 0.0305 0.0305 0.0327 0.0327 0.1396 0.1396 0.1447 0.1447 0.5814 0.5814 0.5820 0.5820 0.7780 0.7780 0.7804 0.7804 2.8985 2.8985 2.8991 2.8991 5.6594 5.6594 5.6599 5.6599 6.4080 6.4080 6.4118 6.4118 7.8016 7.8016 7.8053 7.8053 k = 0.5000 0.4413 0.0781 ( 11924 PWs) bands (ev): -15.5881 -15.5881 -15.5881 -15.5881 -13.7077 -13.7077 -13.7076 -13.7076 -13.6495 -13.6495 -13.6495 -13.6495 -12.8447 -12.8447 -12.8447 -12.8447 -12.3574 -12.3574 -12.3574 -12.3574 -8.3354 -8.3354 -8.3354 -8.3354 -4.3035 -4.3035 -4.3034 -4.3034 -3.9623 -3.9623 -3.9610 -3.9610 -3.6140 -3.6140 -3.6123 -3.6123 -1.9502 -1.9502 -1.9481 -1.9481 -1.5956 -1.5956 -1.5906 -1.5906 -1.4388 -1.4388 -1.4364 -1.4364 -1.2027 -1.2027 -1.2002 -1.2002 -0.9607 -0.9607 -0.9566 -0.9566 -0.4077 -0.4077 -0.4059 -0.4059 -0.0890 -0.0890 -0.0855 -0.0855 0.0292 0.0292 0.0321 0.0321 0.1406 0.1406 0.1472 0.1472 0.5776 0.5776 0.5783 0.5783 0.7729 0.7729 0.7760 0.7760 2.9119 2.9119 2.9126 2.9126 5.6614 5.6614 5.6620 5.6620 6.4087 6.4087 6.4139 6.4139 7.7480 7.7480 7.7530 7.7530 k = 0.5000 0.4413 0.0976 ( 11932 PWs) bands (ev): -15.5875 -15.5875 -15.5875 -15.5875 -13.7072 -13.7072 -13.7071 -13.7071 -13.6500 -13.6500 -13.6500 -13.6500 -12.8543 -12.8543 -12.8543 -12.8543 -12.3484 -12.3484 -12.3484 -12.3484 -8.3291 -8.3291 -8.3291 -8.3291 -4.3052 -4.3052 -4.3051 -4.3051 -3.9627 -3.9627 -3.9609 -3.9609 -3.6480 -3.6480 -3.6459 -3.6459 -1.9471 -1.9471 -1.9443 -1.9443 -1.5968 -1.5968 -1.5906 -1.5906 -1.4355 -1.4355 -1.4327 -1.4327 -1.2039 -1.2039 -1.2008 -1.2008 -0.9328 -0.9328 -0.9280 -0.9280 -0.4073 -0.4073 -0.4053 -0.4053 -0.0763 -0.0763 -0.0723 -0.0723 0.0278 0.0278 0.0310 0.0310 0.1422 0.1422 0.1502 0.1502 0.5729 0.5729 0.5737 0.5737 0.7665 0.7665 0.7704 0.7704 2.9290 2.9290 2.9299 2.9299 5.6639 5.6639 5.6647 5.6647 6.4097 6.4097 6.4163 6.4163 7.6821 7.6821 7.6883 7.6883 k = 0.5000 0.4413 0.1171 ( 11928 PWs) bands (ev): -15.5868 -15.5868 -15.5868 -15.5868 -13.7066 -13.7066 -13.7065 -13.7065 -13.6507 -13.6507 -13.6506 -13.6506 -12.8651 -12.8651 -12.8651 -12.8651 -12.3383 -12.3383 -12.3383 -12.3383 -8.3216 -8.3216 -8.3216 -8.3216 -4.3074 -4.3074 -4.3074 -4.3074 -3.9631 -3.9631 -3.9609 -3.9609 -3.6866 -3.6866 -3.6839 -3.6839 -1.9432 -1.9432 -1.9398 -1.9398 -1.5999 -1.5999 -1.5925 -1.5925 -1.4320 -1.4320 -1.4289 -1.4289 -1.2049 -1.2049 -1.2011 -1.2011 -0.8990 -0.8990 -0.8937 -0.8937 -0.4069 -0.4069 -0.4047 -0.4047 -0.0612 -0.0612 -0.0569 -0.0569 0.0262 0.0262 0.0295 0.0295 0.1445 0.1445 0.1536 0.1536 0.5673 0.5673 0.5682 0.5682 0.7588 0.7588 0.7633 0.7633 2.9497 2.9497 2.9508 2.9508 5.6667 5.6667 5.6677 5.6677 6.4110 6.4110 6.4190 6.4190 7.6056 7.6056 7.6130 7.6130 k = 0.5000 0.4413 0.1366 ( 11916 PWs) bands (ev): -15.5860 -15.5860 -15.5860 -15.5860 -13.7059 -13.7059 -13.7058 -13.7058 -13.6514 -13.6514 -13.6513 -13.6513 -12.8768 -12.8768 -12.8768 -12.8768 -12.3274 -12.3274 -12.3274 -12.3274 -8.3130 -8.3130 -8.3130 -8.3130 -4.3102 -4.3102 -4.3101 -4.3101 -3.9637 -3.9637 -3.9609 -3.9609 -3.7284 -3.7284 -3.7251 -3.7251 -1.9385 -1.9385 -1.9345 -1.9345 -1.6051 -1.6051 -1.5967 -1.5967 -1.4287 -1.4287 -1.4254 -1.4254 -1.2055 -1.2055 -1.2011 -1.2011 -0.8599 -0.8599 -0.8543 -0.8543 -0.4065 -0.4065 -0.4041 -0.4041 -0.0443 -0.0443 -0.0399 -0.0399 0.0246 0.0246 0.0277 0.0277 0.1473 0.1473 0.1575 0.1575 0.5609 0.5609 0.5620 0.5620 0.7499 0.7499 0.7550 0.7550 2.9740 2.9740 2.9752 2.9752 5.6699 5.6699 5.6711 5.6711 6.4125 6.4125 6.4220 6.4220 7.5204 7.5204 7.5291 7.5291 k = 0.5000 0.4413 0.1561 ( 11916 PWs) bands (ev): -15.5852 -15.5852 -15.5852 -15.5852 -13.7051 -13.7051 -13.7050 -13.7050 -13.6522 -13.6522 -13.6521 -13.6521 -12.8891 -12.8891 -12.8891 -12.8891 -12.3160 -12.3160 -12.3160 -12.3160 -8.3037 -8.3037 -8.3037 -8.3037 -4.3137 -4.3137 -4.3136 -4.3136 -3.9646 -3.9646 -3.9611 -3.9611 -3.7718 -3.7718 -3.7678 -3.7678 -1.9331 -1.9331 -1.9283 -1.9283 -1.6124 -1.6124 -1.6031 -1.6031 -1.4257 -1.4257 -1.4223 -1.4223 -1.2056 -1.2056 -1.2009 -1.2009 -0.8165 -0.8165 -0.8107 -0.8107 -0.4061 -0.4061 -0.4036 -0.4036 -0.0262 -0.0262 -0.0225 -0.0225 0.0238 0.0238 0.0259 0.0259 0.1508 0.1508 0.1617 0.1617 0.5540 0.5540 0.5551 0.5551 0.7396 0.7396 0.7454 0.7454 3.0014 3.0014 3.0028 3.0028 5.6734 5.6734 5.6746 5.6746 6.4141 6.4141 6.4252 6.4252 7.4285 7.4285 7.4387 7.4387 k = 0.5000 0.4413 0.1757 ( 11916 PWs) bands (ev): -15.5842 -15.5842 -15.5842 -15.5842 -13.7042 -13.7042 -13.7041 -13.7041 -13.6531 -13.6531 -13.6530 -13.6530 -12.9016 -12.9016 -12.9016 -12.9016 -12.3045 -12.3045 -12.3045 -12.3045 -8.2936 -8.2936 -8.2936 -8.2936 -4.3179 -4.3179 -4.3179 -4.3179 -3.9661 -3.9661 -3.9615 -3.9615 -3.8157 -3.8157 -3.8106 -3.8106 -1.9269 -1.9269 -1.9214 -1.9214 -1.6216 -1.6216 -1.6115 -1.6115 -1.4234 -1.4234 -1.4200 -1.4200 -1.2054 -1.2054 -1.2005 -1.2005 -0.7697 -0.7697 -0.7638 -0.7638 -0.4057 -0.4057 -0.4032 -0.4032 -0.0090 -0.0090 -0.0078 -0.0078 0.0258 0.0258 0.0264 0.0264 0.1549 0.1549 0.1663 0.1663 0.5467 0.5467 0.5478 0.5478 0.7281 0.7281 0.7345 0.7345 3.0319 3.0319 3.0333 3.0333 5.6769 5.6769 5.6783 5.6783 6.4157 6.4157 6.4286 6.4286 7.3320 7.3320 7.3436 7.3436 k = 0.5000 0.4413 0.1952 ( 11896 PWs) bands (ev): -15.5833 -15.5833 -15.5833 -15.5833 -13.7033 -13.7033 -13.7032 -13.7032 -13.6541 -13.6541 -13.6540 -13.6540 -12.9140 -12.9140 -12.9140 -12.9140 -12.2931 -12.2931 -12.2931 -12.2931 -8.2831 -8.2831 -8.2831 -8.2831 -4.3231 -4.3231 -4.3230 -4.3230 -3.9686 -3.9686 -3.9624 -3.9624 -3.8583 -3.8583 -3.8516 -3.8516 -1.9199 -1.9199 -1.9137 -1.9137 -1.6324 -1.6324 -1.6217 -1.6217 -1.4216 -1.4216 -1.4184 -1.4184 -1.2048 -1.2048 -1.1999 -1.1999 -0.7207 -0.7207 -0.7147 -0.7147 -0.4053 -0.4053 -0.4028 -0.4028 -0.0015 -0.0015 0.0011 0.0011 0.0327 0.0327 0.0375 0.0375 0.1596 0.1596 0.1714 0.1714 0.5391 0.5391 0.5402 0.5402 0.7155 0.7155 0.7223 0.7223 3.0648 3.0648 3.0664 3.0664 5.6804 5.6804 5.6820 5.6820 6.4172 6.4172 6.4320 6.4320 7.2328 7.2328 7.2461 7.2461 k = 0.5000 0.4413 0.2147 ( 11876 PWs) bands (ev): -15.5823 -15.5823 -15.5823 -15.5823 -13.7023 -13.7023 -13.7022 -13.7022 -13.6551 -13.6551 -13.6550 -13.6550 -12.9262 -12.9262 -12.9262 -12.9262 -12.2819 -12.2819 -12.2819 -12.2819 -8.2724 -8.2724 -8.2724 -8.2724 -4.3293 -4.3293 -4.3292 -4.3292 -3.9734 -3.9734 -3.9646 -3.9646 -3.8978 -3.8978 -3.8886 -3.8886 -1.9121 -1.9121 -1.9053 -1.9053 -1.6447 -1.6447 -1.6334 -1.6334 -1.4203 -1.4203 -1.4174 -1.4174 -1.2039 -1.2039 -1.1992 -1.1992 -0.6704 -0.6704 -0.6645 -0.6645 -0.4049 -0.4049 -0.4024 -0.4024 -0.0028 -0.0028 0.0009 0.0009 0.0496 0.0496 0.0558 0.0558 0.1650 0.1650 0.1770 0.1770 0.5316 0.5316 0.5326 0.5326 0.7017 0.7017 0.7090 0.7090 3.0999 3.0999 3.1015 3.1015 5.6837 5.6837 5.6855 5.6855 6.4186 6.4186 6.4355 6.4355 7.1330 7.1330 7.1481 7.1481 k = 0.5000 0.4413 0.2342 ( 11892 PWs) bands (ev): -15.5814 -15.5814 -15.5814 -15.5814 -13.7013 -13.7013 -13.7012 -13.7012 -13.6561 -13.6561 -13.6560 -13.6560 -12.9377 -12.9377 -12.9377 -12.9377 -12.2713 -12.2713 -12.2713 -12.2713 -8.2617 -8.2617 -8.2617 -8.2617 -4.3365 -4.3365 -4.3364 -4.3364 -3.9831 -3.9831 -3.9714 -3.9714 -3.9298 -3.9298 -3.9178 -3.9178 -1.9036 -1.9036 -1.8962 -1.8962 -1.6580 -1.6580 -1.6463 -1.6463 -1.4196 -1.4196 -1.4169 -1.4169 -1.2029 -1.2029 -1.1984 -1.1984 -0.6201 -0.6201 -0.6143 -0.6143 -0.4044 -0.4044 -0.4020 -0.4020 -0.0075 -0.0075 -0.0041 -0.0041 0.0703 0.0703 0.0765 0.0765 0.1711 0.1711 0.1830 0.1830 0.5243 0.5243 0.5252 0.5252 0.6870 0.6870 0.6946 0.6946 3.1364 3.1364 3.1380 3.1380 5.6867 5.6867 5.6886 5.6886 6.4196 6.4196 6.4388 6.4388 7.0346 7.0346 7.0518 7.0518 k = 0.5000 0.4413 0.2537 ( 11884 PWs) bands (ev): -15.5805 -15.5805 -15.5805 -15.5805 -13.7003 -13.7003 -13.7002 -13.7002 -13.6572 -13.6572 -13.6571 -13.6571 -12.9486 -12.9486 -12.9486 -12.9486 -12.2615 -12.2615 -12.2615 -12.2615 -8.2512 -8.2512 -8.2512 -8.2512 -4.3448 -4.3448 -4.3448 -4.3448 -4.0007 -4.0007 -3.9903 -3.9903 -3.9463 -3.9463 -3.9355 -3.9355 -1.8943 -1.8943 -1.8863 -1.8863 -1.6722 -1.6722 -1.6603 -1.6603 -1.4192 -1.4192 -1.4168 -1.4168 -1.2017 -1.2017 -1.1976 -1.1976 -0.5708 -0.5708 -0.5653 -0.5653 -0.4036 -0.4036 -0.4013 -0.4013 -0.0142 -0.0142 -0.0114 -0.0114 0.0914 0.0914 0.0974 0.0974 0.1780 0.1780 0.1895 0.1895 0.5177 0.5177 0.5183 0.5183 0.6713 0.6713 0.6792 0.6792 3.1735 3.1735 3.1752 3.1752 5.6894 5.6894 5.6913 5.6913 6.4202 6.4202 6.4419 6.4419 6.9397 6.9397 6.9591 6.9591 k = 0.5000 0.4413 0.2733 ( 11868 PWs) bands (ev): -15.5796 -15.5796 -15.5796 -15.5796 -13.6993 -13.6993 -13.6992 -13.6992 -13.6582 -13.6582 -13.6581 -13.6581 -12.9586 -12.9586 -12.9586 -12.9586 -12.2524 -12.2524 -12.2524 -12.2524 -8.2412 -8.2412 -8.2412 -8.2412 -4.3541 -4.3541 -4.3541 -4.3541 -4.0232 -4.0232 -4.0162 -4.0162 -3.9512 -3.9512 -3.9440 -3.9440 -1.8844 -1.8844 -1.8757 -1.8757 -1.6871 -1.6871 -1.6749 -1.6749 -1.4190 -1.4190 -1.4169 -1.4169 -1.2005 -1.2005 -1.1968 -1.1968 -0.5237 -0.5237 -0.5186 -0.5186 -0.4025 -0.4025 -0.4000 -0.4000 -0.0224 -0.0224 -0.0203 -0.0203 0.1116 0.1116 0.1171 0.1171 0.1858 0.1858 0.1967 0.1967 0.5121 0.5121 0.5123 0.5123 0.6549 0.6549 0.6630 0.6630 3.2104 3.2104 3.2120 3.2120 5.6914 5.6914 5.6934 5.6934 6.4201 6.4201 6.4445 6.4445 6.8502 6.8502 6.8723 6.8723 k = 0.5000 0.4413 0.2928 ( 11872 PWs) bands (ev): -15.5788 -15.5788 -15.5788 -15.5788 -13.6983 -13.6983 -13.6982 -13.6982 -13.6592 -13.6592 -13.6591 -13.6591 -12.9675 -12.9675 -12.9675 -12.9675 -12.2444 -12.2444 -12.2444 -12.2444 -8.2320 -8.2320 -8.2320 -8.2320 -4.3641 -4.3641 -4.3641 -4.3641 -4.0455 -4.0455 -4.0409 -4.0409 -3.9529 -3.9529 -3.9480 -3.9480 -1.8737 -1.8737 -1.8645 -1.8645 -1.7023 -1.7023 -1.6901 -1.6901 -1.4191 -1.4191 -1.4173 -1.4173 -1.1993 -1.1993 -1.1961 -1.1961 -0.4804 -0.4804 -0.4761 -0.4761 -0.4000 -0.4000 -0.3972 -0.3972 -0.0319 -0.0319 -0.0304 -0.0304 0.1299 0.1299 0.1349 0.1349 0.1945 0.1945 0.2045 0.2045 0.5076 0.5076 0.5079 0.5079 0.6380 0.6380 0.6462 0.6462 3.2460 3.2460 3.2475 3.2475 5.6929 5.6929 5.6949 5.6949 6.4192 6.4192 6.4464 6.4464 6.7684 6.7684 6.7933 6.7933 k = 0.5000 0.4413 0.3123 ( 11864 PWs) bands (ev): -15.5781 -15.5781 -15.5781 -15.5781 -13.6974 -13.6974 -13.6973 -13.6973 -13.6601 -13.6601 -13.6600 -13.6600 -12.9752 -12.9752 -12.9752 -12.9752 -12.2374 -12.2374 -12.2374 -12.2374 -8.2237 -8.2237 -8.2237 -8.2237 -4.3742 -4.3742 -4.3741 -4.3741 -4.0649 -4.0649 -4.0618 -4.0618 -3.9536 -3.9536 -3.9502 -3.9502 -1.8623 -1.8623 -1.8527 -1.8527 -1.7178 -1.7178 -1.7056 -1.7056 -1.4192 -1.4192 -1.4177 -1.4177 -1.1982 -1.1982 -1.1955 -1.1955 -0.4443 -0.4443 -0.4416 -0.4416 -0.3937 -0.3937 -0.3899 -0.3899 -0.0424 -0.0424 -0.0416 -0.0416 0.1455 0.1455 0.1500 0.1500 0.2041 0.2041 0.2128 0.2128 0.5046 0.5046 0.5056 0.5056 0.6209 0.6209 0.6290 0.6290 3.2792 3.2792 3.2806 3.2806 5.6938 5.6938 5.6956 5.6956 6.4174 6.4174 6.4471 6.4471 6.6966 6.6966 6.7240 6.7240 k = 0.5000 0.4413 0.3318 ( 11860 PWs) bands (ev): -15.5775 -15.5775 -15.5775 -15.5775 -13.6966 -13.6966 -13.6965 -13.6965 -13.6609 -13.6609 -13.6609 -13.6609 -12.9817 -12.9817 -12.9817 -12.9817 -12.2315 -12.2315 -12.2315 -12.2315 -8.2166 -8.2166 -8.2166 -8.2166 -4.3838 -4.3838 -4.3837 -4.3837 -4.0806 -4.0806 -4.0784 -4.0784 -3.9539 -3.9539 -3.9515 -3.9515 -1.8504 -1.8504 -1.8403 -1.8403 -1.7333 -1.7333 -1.7212 -1.7212 -1.4193 -1.4193 -1.4182 -1.4182 -1.1972 -1.1972 -1.1950 -1.1950 -0.4231 -0.4231 -0.4223 -0.4223 -0.3767 -0.3767 -0.3718 -0.3718 -0.0536 -0.0536 -0.0534 -0.0534 0.1579 0.1579 0.1618 0.1618 0.2140 0.2140 0.2212 0.2212 0.5036 0.5036 0.5054 0.5054 0.6039 0.6039 0.6118 0.6118 3.3087 3.3087 3.3099 3.3099 5.6942 5.6942 5.6958 5.6958 6.4148 6.4148 6.4457 6.4457 6.6371 6.6371 6.6660 6.6660 k = 0.5000 0.4413 0.3513 ( 11832 PWs) bands (ev): -15.5770 -15.5770 -15.5770 -15.5770 -13.6959 -13.6959 -13.6958 -13.6958 -13.6616 -13.6616 -13.6616 -13.6616 -12.9868 -12.9868 -12.9868 -12.9868 -12.2269 -12.2269 -12.2269 -12.2269 -8.2109 -8.2109 -8.2109 -8.2109 -4.3922 -4.3922 -4.3922 -4.3922 -4.0925 -4.0925 -4.0910 -4.0910 -3.9540 -3.9540 -3.9524 -3.9524 -1.8378 -1.8378 -1.8275 -1.8275 -1.7486 -1.7486 -1.7367 -1.7367 -1.4195 -1.4195 -1.4186 -1.4186 -1.1963 -1.1963 -1.1947 -1.1947 -0.4157 -0.4157 -0.4154 -0.4154 -0.3513 -0.3513 -0.3469 -0.3469 -0.0651 -0.0651 -0.0649 -0.0649 0.1673 0.1673 0.1705 0.1705 0.2234 0.2234 0.2289 0.2289 0.5051 0.5051 0.5076 0.5076 0.5878 0.5878 0.5952 0.5952 3.3333 3.3333 3.3342 3.3342 5.6941 5.6941 5.6954 5.6954 6.4119 6.4119 6.4412 6.4412 6.5926 6.5926 6.6204 6.6204 k = 0.5000 0.4413 0.3709 ( 11840 PWs) bands (ev): -15.5767 -15.5767 -15.5767 -15.5767 -13.6953 -13.6953 -13.6953 -13.6953 -13.6621 -13.6621 -13.6621 -13.6621 -12.9905 -12.9905 -12.9905 -12.9905 -12.2236 -12.2236 -12.2236 -12.2236 -8.2067 -8.2067 -8.2067 -8.2067 -4.3988 -4.3988 -4.3987 -4.3987 -4.1007 -4.1007 -4.0998 -4.0998 -3.9540 -3.9540 -3.9529 -3.9529 -1.8248 -1.8248 -1.8144 -1.8144 -1.7634 -1.7634 -1.7519 -1.7519 -1.4196 -1.4196 -1.4190 -1.4190 -1.1956 -1.1956 -1.1945 -1.1945 -0.4132 -0.4132 -0.4129 -0.4129 -0.3278 -0.3278 -0.3246 -0.3246 -0.0754 -0.0754 -0.0750 -0.0750 0.1740 0.1740 0.1763 0.1763 0.2313 0.2313 0.2349 0.2349 0.5087 0.5087 0.5116 0.5116 0.5735 0.5735 0.5798 0.5798 3.3518 3.3518 3.3524 3.3524 5.6939 5.6939 5.6948 5.6948 6.4098 6.4098 6.4331 6.4331 6.5649 6.5649 6.5870 6.5870 k = 0.5000 0.4413 0.3904 ( 11832 PWs) bands (ev): -15.5765 -15.5765 -15.5765 -15.5765 -13.6950 -13.6950 -13.6950 -13.6950 -13.6625 -13.6625 -13.6624 -13.6624 -12.9927 -12.9927 -12.9927 -12.9927 -12.2216 -12.2216 -12.2216 -12.2216 -8.2041 -8.2041 -8.2041 -8.2041 -4.4029 -4.4029 -4.4029 -4.4029 -4.1055 -4.1055 -4.1050 -4.1050 -3.9538 -3.9538 -3.9533 -3.9533 -1.8118 -1.8118 -1.8025 -1.8025 -1.7763 -1.7763 -1.7665 -1.7665 -1.4196 -1.4196 -1.4193 -1.4193 -1.1950 -1.1950 -1.1945 -1.1945 -0.4121 -0.4121 -0.4120 -0.4120 -0.3116 -0.3116 -0.3098 -0.3098 -0.0827 -0.0827 -0.0824 -0.0824 0.1781 0.1781 0.1793 0.1793 0.2366 0.2366 0.2384 0.2384 0.5136 0.5136 0.5160 0.5160 0.5633 0.5633 0.5674 0.5674 3.3634 3.3634 3.3637 3.3637 5.6938 5.6938 5.6942 5.6942 6.4102 6.4102 6.4230 6.4230 6.5529 6.5529 6.5651 6.5651 k = 0.5000 0.4413 0.4099 ( 11840 PWs) bands (ev): -15.5764 -15.5764 -15.5764 -15.5764 -13.6949 -13.6949 -13.6949 -13.6949 -13.6626 -13.6626 -13.6626 -13.6626 -12.9935 -12.9935 -12.9935 -12.9935 -12.2209 -12.2209 -12.2209 -12.2209 -8.2033 -8.2033 -8.2033 -8.2033 -4.4043 -4.4043 -4.4043 -4.4043 -4.1069 -4.1069 -4.1069 -4.1069 -3.9536 -3.9536 -3.9536 -3.9536 -1.8007 -1.8007 -1.8007 -1.8007 -1.7783 -1.7783 -1.7783 -1.7783 -1.4195 -1.4195 -1.4195 -1.4195 -1.1947 -1.1947 -1.1947 -1.1947 -0.4118 -0.4118 -0.4118 -0.4118 -0.3052 -0.3052 -0.3052 -0.3052 -0.0853 -0.0853 -0.0853 -0.0853 0.1799 0.1799 0.1799 0.1799 0.2391 0.2391 0.2391 0.2391 0.5171 0.5171 0.5171 0.5171 0.5607 0.5607 0.5607 0.5607 3.3675 3.3675 3.3675 3.3675 5.6938 5.6938 5.6938 5.6938 6.4146 6.4146 6.4146 6.4146 6.5537 6.5537 6.5537 6.5537 Writing output data file AsCl5.save init_run : 0.34s CPU 0.51s WALL ( 1 calls) electrons : 499.03s CPU 503.30s 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 : 499.01s CPU 503.29s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.34s CPU 0.37s WALL ( 292 calls) cegterg : 450.56s CPU 453.80s WALL ( 314 calls) Called by sum_band: Called by *egterg: h_psi : 267.92s CPU 270.24s WALL ( 4765 calls) s_psi : 42.50s CPU 42.30s WALL ( 4765 calls) g_psi : 0.91s CPU 0.96s WALL ( 4159 calls) cdiaghg : 94.89s CPU 95.70s WALL ( 4451 calls) cegterg:over : 30.46s CPU 30.57s WALL ( 4159 calls) cegterg:upda : 24.78s CPU 25.07s WALL ( 4159 calls) cegterg:last : 15.20s CPU 15.21s WALL ( 898 calls) cdiaghg:chol : 5.91s CPU 5.83s WALL ( 4451 calls) cdiaghg:inve : 4.06s CPU 4.26s WALL ( 4451 calls) cdiaghg:para : 7.91s CPU 7.72s WALL ( 8902 calls) Called by h_psi: h_psi:vloc : 199.99s CPU 201.92s WALL ( 4765 calls) h_psi:vnl : 66.77s CPU 67.25s WALL ( 4765 calls) add_vuspsi : 35.30s CPU 35.40s WALL ( 4765 calls) General routines calbec : 31.44s CPU 31.83s WALL ( 4765 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 189.34s CPU 191.33s WALL ( 1122504 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.28s CPU 0.49s WALL ( 584 calls) Parallel routines fft_scatter : 64.47s CPU 65.49s WALL ( 1122527 calls) PWSCF : 9m 8.98s CPU 9m59.86s WALL This run was terminated on: 19:46:13 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=