Program PWSCF v.5.4.0 starts on 3Aug2017 at 20:29:32 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaB3H8.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 68 56 15 3867 2888 431 Max 71 57 16 3872 2915 436 Sum 2451 2033 569 139335 104421 15641 bravais-lattice index = 14 lattice parameter (alat) = 8.6463 a.u. unit-cell volume = 1408.3144 (a.u.)^3 number of atoms/cell = 24 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.646252 celldm(2)= 1.269965 celldm(3)= 1.715631 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 1.269965 0.000000 ) a(3) = ( 0.000000 0.000000 1.715631 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.787423 -0.000000 ) b(3) = ( 0.000000 0.000000 0.582876 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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. # 3 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Na 9.00 22.98980 Na( 1.00) B 3.00 10.81100 B( 1.00) 4 Sym. Ops. (no inversion) found ( 2 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8578157 ) isym = 3 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 3) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8578157 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [1,0,0] s_v -s_v 4 -4 inv. 180 deg rotation - cart. axis [0,1,0] s_v'-s_v' 3 -3 inv. 180 deg rotation - cart. axis [0,0,1] Cartesian axes number of k points= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0142857 -0.0000000 -0.0000000), wk = 0.0028736 k( 3) = ( 0.0285714 -0.0000000 -0.0000000), wk = 0.0028736 k( 4) = ( 0.0428571 -0.0000000 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0571429 -0.0000000 -0.0000000), wk = 0.0028736 k( 6) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0857143 -0.0000000 -0.0000000), wk = 0.0028736 k( 8) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 9) = ( 0.1142857 -0.0000000 -0.0000000), wk = 0.0028736 k( 10) = ( 0.1285714 -0.0000000 -0.0000000), wk = 0.0028736 k( 11) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0028736 k( 12) = ( 0.1571429 -0.0000000 -0.0000000), wk = 0.0028736 k( 13) = ( 0.1714286 -0.0000000 -0.0000000), wk = 0.0028736 k( 14) = ( 0.1857143 -0.0000000 -0.0000000), wk = 0.0028736 k( 15) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 16) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0028736 k( 17) = ( 0.2285714 -0.0000000 -0.0000000), wk = 0.0028736 k( 18) = ( 0.2428571 -0.0000000 -0.0000000), wk = 0.0028736 k( 19) = ( 0.2571429 -0.0000000 -0.0000000), wk = 0.0028736 k( 20) = ( 0.2714286 -0.0000000 -0.0000000), wk = 0.0028736 k( 21) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0028736 k( 22) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 23) = ( 0.3142857 -0.0000000 -0.0000000), wk = 0.0028736 k( 24) = ( 0.3285714 -0.0000000 -0.0000000), wk = 0.0028736 k( 25) = ( 0.3428571 -0.0000000 -0.0000000), wk = 0.0028736 k( 26) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0028736 k( 27) = ( 0.3714286 -0.0000000 -0.0000000), wk = 0.0028736 k( 28) = ( 0.3857143 -0.0000000 -0.0000000), wk = 0.0028736 k( 29) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 30) = ( 0.4142857 -0.0000000 -0.0000000), wk = 0.0028736 k( 31) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0028736 k( 32) = ( 0.4428571 -0.0000000 -0.0000000), wk = 0.0028736 k( 33) = ( 0.4571429 -0.0000000 -0.0000000), wk = 0.0028736 k( 34) = ( 0.4714286 -0.0000000 -0.0000000), wk = 0.0028736 k( 35) = ( 0.4857143 -0.0000000 -0.0000000), wk = 0.0028736 k( 36) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 37) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 38) = ( 0.5000000 0.0140611 -0.0000000), wk = 0.0028736 k( 39) = ( 0.5000000 0.0281223 -0.0000000), wk = 0.0028736 k( 40) = ( 0.5000000 0.0421834 -0.0000000), wk = 0.0028736 k( 41) = ( 0.5000000 0.0562445 -0.0000000), wk = 0.0028736 k( 42) = ( 0.5000000 0.0703056 -0.0000000), wk = 0.0028736 k( 43) = ( 0.5000000 0.0843668 -0.0000000), wk = 0.0028736 k( 44) = ( 0.5000000 0.0984279 -0.0000000), wk = 0.0028736 k( 45) = ( 0.5000000 0.1124890 -0.0000000), wk = 0.0028736 k( 46) = ( 0.5000000 0.1265501 -0.0000000), wk = 0.0028736 k( 47) = ( 0.5000000 0.1406112 -0.0000000), wk = 0.0028736 k( 48) = ( 0.5000000 0.1546724 -0.0000000), wk = 0.0028736 k( 49) = ( 0.5000000 0.1687335 -0.0000000), wk = 0.0028736 k( 50) = ( 0.5000000 0.1827946 -0.0000000), wk = 0.0028736 k( 51) = ( 0.5000000 0.1968557 -0.0000000), wk = 0.0028736 k( 52) = ( 0.5000000 0.2109169 -0.0000000), wk = 0.0028736 k( 53) = ( 0.5000000 0.2249780 -0.0000000), wk = 0.0028736 k( 54) = ( 0.5000000 0.2390391 -0.0000000), wk = 0.0028736 k( 55) = ( 0.5000000 0.2531002 -0.0000000), wk = 0.0028736 k( 56) = ( 0.5000000 0.2671614 -0.0000000), wk = 0.0028736 k( 57) = ( 0.5000000 0.2812225 -0.0000000), wk = 0.0028736 k( 58) = ( 0.5000000 0.2952836 -0.0000000), wk = 0.0028736 k( 59) = ( 0.5000000 0.3093447 -0.0000000), wk = 0.0028736 k( 60) = ( 0.5000000 0.3234059 -0.0000000), wk = 0.0028736 k( 61) = ( 0.5000000 0.3374670 -0.0000000), wk = 0.0028736 k( 62) = ( 0.5000000 0.3515281 -0.0000000), wk = 0.0028736 k( 63) = ( 0.5000000 0.3655892 -0.0000000), wk = 0.0028736 k( 64) = ( 0.5000000 0.3796504 -0.0000000), wk = 0.0028736 k( 65) = ( 0.5000000 0.3937115 -0.0000000), wk = 0.0028736 k( 66) = ( 0.5000000 0.3937115 -0.0000000), wk = 0.0028736 k( 67) = ( 0.4857143 0.3937115 -0.0000000), wk = 0.0028736 k( 68) = ( 0.4714286 0.3937115 -0.0000000), wk = 0.0028736 k( 69) = ( 0.4571429 0.3937115 -0.0000000), wk = 0.0028736 k( 70) = ( 0.4428571 0.3937115 -0.0000000), wk = 0.0028736 k( 71) = ( 0.4285714 0.3937115 -0.0000000), wk = 0.0028736 k( 72) = ( 0.4142857 0.3937115 -0.0000000), wk = 0.0028736 k( 73) = ( 0.4000000 0.3937115 -0.0000000), wk = 0.0028736 k( 74) = ( 0.3857143 0.3937115 -0.0000000), wk = 0.0028736 k( 75) = ( 0.3714286 0.3937115 -0.0000000), wk = 0.0028736 k( 76) = ( 0.3571429 0.3937115 -0.0000000), wk = 0.0028736 k( 77) = ( 0.3428571 0.3937115 -0.0000000), wk = 0.0028736 k( 78) = ( 0.3285714 0.3937115 -0.0000000), wk = 0.0028736 k( 79) = ( 0.3142857 0.3937115 -0.0000000), wk = 0.0028736 k( 80) = ( 0.3000000 0.3937115 -0.0000000), wk = 0.0028736 k( 81) = ( 0.2857143 0.3937115 -0.0000000), wk = 0.0028736 k( 82) = ( 0.2714286 0.3937115 -0.0000000), wk = 0.0028736 k( 83) = ( 0.2571429 0.3937115 -0.0000000), wk = 0.0028736 k( 84) = ( 0.2428571 0.3937115 -0.0000000), wk = 0.0028736 k( 85) = ( 0.2285714 0.3937115 -0.0000000), wk = 0.0028736 k( 86) = ( 0.2142857 0.3937115 -0.0000000), wk = 0.0028736 k( 87) = ( 0.2000000 0.3937115 -0.0000000), wk = 0.0028736 k( 88) = ( 0.1857143 0.3937115 -0.0000000), wk = 0.0028736 k( 89) = ( 0.1714286 0.3937115 -0.0000000), wk = 0.0028736 k( 90) = ( 0.1571429 0.3937115 -0.0000000), wk = 0.0028736 k( 91) = ( 0.1428571 0.3937115 -0.0000000), wk = 0.0028736 k( 92) = ( 0.1285714 0.3937115 -0.0000000), wk = 0.0028736 k( 93) = ( 0.1142857 0.3937115 -0.0000000), wk = 0.0028736 k( 94) = ( 0.1000000 0.3937115 -0.0000000), wk = 0.0028736 k( 95) = ( 0.0857143 0.3937115 -0.0000000), wk = 0.0028736 k( 96) = ( 0.0714286 0.3937115 -0.0000000), wk = 0.0028736 k( 97) = ( 0.0571429 0.3937115 -0.0000000), wk = 0.0028736 k( 98) = ( 0.0428571 0.3937115 -0.0000000), wk = 0.0028736 k( 99) = ( 0.0285714 0.3937115 -0.0000000), wk = 0.0028736 k( 100) = ( 0.0142857 0.3937115 -0.0000000), wk = 0.0028736 k( 101) = ( 0.0000000 0.3937115 -0.0000000), wk = 0.0028736 k( 102) = ( 0.0000000 0.3937115 -0.0000000), wk = 0.0028736 k( 103) = ( 0.0000000 0.3796504 -0.0000000), wk = 0.0028736 k( 104) = ( 0.0000000 0.3655892 -0.0000000), wk = 0.0028736 k( 105) = ( 0.0000000 0.3515281 -0.0000000), wk = 0.0028736 k( 106) = ( 0.0000000 0.3374670 -0.0000000), wk = 0.0028736 k( 107) = ( 0.0000000 0.3234059 -0.0000000), wk = 0.0028736 k( 108) = ( 0.0000000 0.3093447 -0.0000000), wk = 0.0028736 k( 109) = ( 0.0000000 0.2952836 -0.0000000), wk = 0.0028736 k( 110) = ( 0.0000000 0.2812225 -0.0000000), wk = 0.0028736 k( 111) = ( 0.0000000 0.2671614 -0.0000000), wk = 0.0028736 k( 112) = ( 0.0000000 0.2531002 -0.0000000), wk = 0.0028736 k( 113) = ( 0.0000000 0.2390391 -0.0000000), wk = 0.0028736 k( 114) = ( 0.0000000 0.2249780 -0.0000000), wk = 0.0028736 k( 115) = ( 0.0000000 0.2109169 -0.0000000), wk = 0.0028736 k( 116) = ( 0.0000000 0.1968557 -0.0000000), wk = 0.0028736 k( 117) = ( 0.0000000 0.1827946 -0.0000000), wk = 0.0028736 k( 118) = ( 0.0000000 0.1687335 -0.0000000), wk = 0.0028736 k( 119) = ( 0.0000000 0.1546724 -0.0000000), wk = 0.0028736 k( 120) = ( 0.0000000 0.1406112 -0.0000000), wk = 0.0028736 k( 121) = ( 0.0000000 0.1265501 -0.0000000), wk = 0.0028736 k( 122) = ( 0.0000000 0.1124890 -0.0000000), wk = 0.0028736 k( 123) = ( 0.0000000 0.0984279 -0.0000000), wk = 0.0028736 k( 124) = ( 0.0000000 0.0843668 -0.0000000), wk = 0.0028736 k( 125) = ( 0.0000000 0.0703056 -0.0000000), wk = 0.0028736 k( 126) = ( 0.0000000 0.0562445 -0.0000000), wk = 0.0028736 k( 127) = ( 0.0000000 0.0421834 -0.0000000), wk = 0.0028736 k( 128) = ( 0.0000000 0.0281223 -0.0000000), wk = 0.0028736 k( 129) = ( 0.0000000 0.0140611 -0.0000000), wk = 0.0028736 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 132) = ( 0.0000000 0.0000000 0.0138780), wk = 0.0028736 k( 133) = ( 0.0000000 0.0000000 0.0277560), wk = 0.0028736 k( 134) = ( 0.0000000 0.0000000 0.0416340), wk = 0.0028736 k( 135) = ( 0.0000000 0.0000000 0.0555120), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.0693900), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.0832680), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.0971460), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.1110240), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.1249020), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.1387799), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.1526579), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.1665359), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.1804139), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.1942919), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.2081699), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.2220479), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.2359259), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.2498039), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.2636819), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.2775599), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.2914379), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.2914379), wk = 0.0028736 k( 154) = ( 0.0142857 -0.0000000 0.2914379), wk = 0.0028736 k( 155) = ( 0.0285714 -0.0000000 0.2914379), wk = 0.0028736 k( 156) = ( 0.0428571 -0.0000000 0.2914379), wk = 0.0028736 k( 157) = ( 0.0571429 -0.0000000 0.2914379), wk = 0.0028736 k( 158) = ( 0.0714286 -0.0000000 0.2914379), wk = 0.0028736 k( 159) = ( 0.0857143 -0.0000000 0.2914379), wk = 0.0028736 k( 160) = ( 0.1000000 -0.0000000 0.2914379), wk = 0.0028736 k( 161) = ( 0.1142857 -0.0000000 0.2914379), wk = 0.0028736 k( 162) = ( 0.1285714 -0.0000000 0.2914379), wk = 0.0028736 k( 163) = ( 0.1428571 -0.0000000 0.2914379), wk = 0.0028736 k( 164) = ( 0.1571429 -0.0000000 0.2914379), wk = 0.0028736 k( 165) = ( 0.1714286 -0.0000000 0.2914379), wk = 0.0028736 k( 166) = ( 0.1857143 -0.0000000 0.2914379), wk = 0.0028736 k( 167) = ( 0.2000000 -0.0000000 0.2914379), wk = 0.0028736 k( 168) = ( 0.2142857 -0.0000000 0.2914379), wk = 0.0028736 k( 169) = ( 0.2285714 -0.0000000 0.2914379), wk = 0.0028736 k( 170) = ( 0.2428571 -0.0000000 0.2914379), wk = 0.0028736 k( 171) = ( 0.2571429 -0.0000000 0.2914379), wk = 0.0028736 k( 172) = ( 0.2714286 -0.0000000 0.2914379), wk = 0.0028736 k( 173) = ( 0.2857143 -0.0000000 0.2914379), wk = 0.0028736 k( 174) = ( 0.3000000 -0.0000000 0.2914379), wk = 0.0028736 k( 175) = ( 0.3142857 -0.0000000 0.2914379), wk = 0.0028736 k( 176) = ( 0.3285714 -0.0000000 0.2914379), wk = 0.0028736 k( 177) = ( 0.3428571 -0.0000000 0.2914379), wk = 0.0028736 k( 178) = ( 0.3571429 -0.0000000 0.2914379), wk = 0.0028736 k( 179) = ( 0.3714286 -0.0000000 0.2914379), wk = 0.0028736 k( 180) = ( 0.3857143 -0.0000000 0.2914379), wk = 0.0028736 k( 181) = ( 0.4000000 -0.0000000 0.2914379), wk = 0.0028736 k( 182) = ( 0.4142857 -0.0000000 0.2914379), wk = 0.0028736 k( 183) = ( 0.4285714 -0.0000000 0.2914379), wk = 0.0028736 k( 184) = ( 0.4428571 -0.0000000 0.2914379), wk = 0.0028736 k( 185) = ( 0.4571429 -0.0000000 0.2914379), wk = 0.0028736 k( 186) = ( 0.4714286 -0.0000000 0.2914379), wk = 0.0028736 k( 187) = ( 0.4857143 -0.0000000 0.2914379), wk = 0.0028736 k( 188) = ( 0.5000000 -0.0000000 0.2914379), wk = 0.0028736 k( 189) = ( 0.5000000 -0.0000000 0.2914379), wk = 0.0028736 k( 190) = ( 0.5000000 0.0140611 0.2914379), wk = 0.0028736 k( 191) = ( 0.5000000 0.0281223 0.2914379), wk = 0.0028736 k( 192) = ( 0.5000000 0.0421834 0.2914379), wk = 0.0028736 k( 193) = ( 0.5000000 0.0562445 0.2914379), wk = 0.0028736 k( 194) = ( 0.5000000 0.0703056 0.2914379), wk = 0.0028736 k( 195) = ( 0.5000000 0.0843668 0.2914379), wk = 0.0028736 k( 196) = ( 0.5000000 0.0984279 0.2914379), wk = 0.0028736 k( 197) = ( 0.5000000 0.1124890 0.2914379), wk = 0.0028736 k( 198) = ( 0.5000000 0.1265501 0.2914379), wk = 0.0028736 k( 199) = ( 0.5000000 0.1406112 0.2914379), wk = 0.0028736 k( 200) = ( 0.5000000 0.1546724 0.2914379), wk = 0.0028736 k( 201) = ( 0.5000000 0.1687335 0.2914379), wk = 0.0028736 k( 202) = ( 0.5000000 0.1827946 0.2914379), wk = 0.0028736 k( 203) = ( 0.5000000 0.1968557 0.2914379), wk = 0.0028736 k( 204) = ( 0.5000000 0.2109169 0.2914379), wk = 0.0028736 k( 205) = ( 0.5000000 0.2249780 0.2914379), wk = 0.0028736 k( 206) = ( 0.5000000 0.2390391 0.2914379), wk = 0.0028736 k( 207) = ( 0.5000000 0.2531002 0.2914379), wk = 0.0028736 k( 208) = ( 0.5000000 0.2671614 0.2914379), wk = 0.0028736 k( 209) = ( 0.5000000 0.2812225 0.2914379), wk = 0.0028736 k( 210) = ( 0.5000000 0.2952836 0.2914379), wk = 0.0028736 k( 211) = ( 0.5000000 0.3093447 0.2914379), wk = 0.0028736 k( 212) = ( 0.5000000 0.3234059 0.2914379), wk = 0.0028736 k( 213) = ( 0.5000000 0.3374670 0.2914379), wk = 0.0028736 k( 214) = ( 0.5000000 0.3515281 0.2914379), wk = 0.0028736 k( 215) = ( 0.5000000 0.3655892 0.2914379), wk = 0.0028736 k( 216) = ( 0.5000000 0.3796504 0.2914379), wk = 0.0028736 k( 217) = ( 0.5000000 0.3937115 0.2914379), wk = 0.0028736 k( 218) = ( 0.5000000 0.3937115 0.2914379), wk = 0.0028736 k( 219) = ( 0.4857143 0.3937115 0.2914379), wk = 0.0028736 k( 220) = ( 0.4714286 0.3937115 0.2914379), wk = 0.0028736 k( 221) = ( 0.4571429 0.3937115 0.2914379), wk = 0.0028736 k( 222) = ( 0.4428571 0.3937115 0.2914379), wk = 0.0028736 k( 223) = ( 0.4285714 0.3937115 0.2914379), wk = 0.0028736 k( 224) = ( 0.4142857 0.3937115 0.2914379), wk = 0.0028736 k( 225) = ( 0.4000000 0.3937115 0.2914379), wk = 0.0028736 k( 226) = ( 0.3857143 0.3937115 0.2914379), wk = 0.0028736 k( 227) = ( 0.3714286 0.3937115 0.2914379), wk = 0.0028736 k( 228) = ( 0.3571429 0.3937115 0.2914379), wk = 0.0028736 k( 229) = ( 0.3428571 0.3937115 0.2914379), wk = 0.0028736 k( 230) = ( 0.3285714 0.3937115 0.2914379), wk = 0.0028736 k( 231) = ( 0.3142857 0.3937115 0.2914379), wk = 0.0028736 k( 232) = ( 0.3000000 0.3937115 0.2914379), wk = 0.0028736 k( 233) = ( 0.2857143 0.3937115 0.2914379), wk = 0.0028736 k( 234) = ( 0.2714286 0.3937115 0.2914379), wk = 0.0028736 k( 235) = ( 0.2571429 0.3937115 0.2914379), wk = 0.0028736 k( 236) = ( 0.2428571 0.3937115 0.2914379), wk = 0.0028736 k( 237) = ( 0.2285714 0.3937115 0.2914379), wk = 0.0028736 k( 238) = ( 0.2142857 0.3937115 0.2914379), wk = 0.0028736 k( 239) = ( 0.2000000 0.3937115 0.2914379), wk = 0.0028736 k( 240) = ( 0.1857143 0.3937115 0.2914379), wk = 0.0028736 k( 241) = ( 0.1714286 0.3937115 0.2914379), wk = 0.0028736 k( 242) = ( 0.1571429 0.3937115 0.2914379), wk = 0.0028736 k( 243) = ( 0.1428571 0.3937115 0.2914379), wk = 0.0028736 k( 244) = ( 0.1285714 0.3937115 0.2914379), wk = 0.0028736 k( 245) = ( 0.1142857 0.3937115 0.2914379), wk = 0.0028736 k( 246) = ( 0.1000000 0.3937115 0.2914379), wk = 0.0028736 k( 247) = ( 0.0857143 0.3937115 0.2914379), wk = 0.0028736 k( 248) = ( 0.0714286 0.3937115 0.2914379), wk = 0.0028736 k( 249) = ( 0.0571429 0.3937115 0.2914379), wk = 0.0028736 k( 250) = ( 0.0428571 0.3937115 0.2914379), wk = 0.0028736 k( 251) = ( 0.0285714 0.3937115 0.2914379), wk = 0.0028736 k( 252) = ( 0.0142857 0.3937115 0.2914379), wk = 0.0028736 k( 253) = ( 0.0000000 0.3937115 0.2914379), wk = 0.0028736 k( 254) = ( 0.0000000 0.3937115 0.2914379), wk = 0.0028736 k( 255) = ( 0.0000000 0.3796504 0.2914379), wk = 0.0028736 k( 256) = ( 0.0000000 0.3655892 0.2914379), wk = 0.0028736 k( 257) = ( 0.0000000 0.3515281 0.2914379), wk = 0.0028736 k( 258) = ( 0.0000000 0.3374670 0.2914379), wk = 0.0028736 k( 259) = ( 0.0000000 0.3234059 0.2914379), wk = 0.0028736 k( 260) = ( 0.0000000 0.3093447 0.2914379), wk = 0.0028736 k( 261) = ( 0.0000000 0.2952836 0.2914379), wk = 0.0028736 k( 262) = ( 0.0000000 0.2812225 0.2914379), wk = 0.0028736 k( 263) = ( 0.0000000 0.2671614 0.2914379), wk = 0.0028736 k( 264) = ( 0.0000000 0.2531002 0.2914379), wk = 0.0028736 k( 265) = ( 0.0000000 0.2390391 0.2914379), wk = 0.0028736 k( 266) = ( 0.0000000 0.2249780 0.2914379), wk = 0.0028736 k( 267) = ( 0.0000000 0.2109169 0.2914379), wk = 0.0028736 k( 268) = ( 0.0000000 0.1968557 0.2914379), wk = 0.0028736 k( 269) = ( 0.0000000 0.1827946 0.2914379), wk = 0.0028736 k( 270) = ( 0.0000000 0.1687335 0.2914379), wk = 0.0028736 k( 271) = ( 0.0000000 0.1546724 0.2914379), wk = 0.0028736 k( 272) = ( 0.0000000 0.1406112 0.2914379), wk = 0.0028736 k( 273) = ( 0.0000000 0.1265501 0.2914379), wk = 0.0028736 k( 274) = ( 0.0000000 0.1124890 0.2914379), wk = 0.0028736 k( 275) = ( 0.0000000 0.0984279 0.2914379), wk = 0.0028736 k( 276) = ( 0.0000000 0.0843668 0.2914379), wk = 0.0028736 k( 277) = ( 0.0000000 0.0703056 0.2914379), wk = 0.0028736 k( 278) = ( 0.0000000 0.0562445 0.2914379), wk = 0.0028736 k( 279) = ( 0.0000000 0.0421834 0.2914379), wk = 0.0028736 k( 280) = ( 0.0000000 0.0281223 0.2914379), wk = 0.0028736 k( 281) = ( 0.0000000 0.0140611 0.2914379), wk = 0.0028736 k( 282) = ( 0.0000000 0.0000000 0.2914379), wk = 0.0028736 k( 283) = ( 0.0000000 0.3937115 -0.0000000), wk = 0.0028736 k( 284) = ( 0.0000000 0.3937115 0.0138780), wk = 0.0028736 k( 285) = ( 0.0000000 0.3937115 0.0277560), wk = 0.0028736 k( 286) = ( 0.0000000 0.3937115 0.0416340), wk = 0.0028736 k( 287) = ( 0.0000000 0.3937115 0.0555120), wk = 0.0028736 k( 288) = ( 0.0000000 0.3937115 0.0693900), wk = 0.0028736 k( 289) = ( 0.0000000 0.3937115 0.0832680), wk = 0.0028736 k( 290) = ( 0.0000000 0.3937115 0.0971460), wk = 0.0028736 k( 291) = ( 0.0000000 0.3937115 0.1110240), wk = 0.0028736 k( 292) = ( 0.0000000 0.3937115 0.1249020), wk = 0.0028736 k( 293) = ( 0.0000000 0.3937115 0.1387799), wk = 0.0028736 k( 294) = ( 0.0000000 0.3937115 0.1526579), wk = 0.0028736 k( 295) = ( 0.0000000 0.3937115 0.1665359), wk = 0.0028736 k( 296) = ( 0.0000000 0.3937115 0.1804139), wk = 0.0028736 k( 297) = ( 0.0000000 0.3937115 0.1942919), wk = 0.0028736 k( 298) = ( 0.0000000 0.3937115 0.2081699), wk = 0.0028736 k( 299) = ( 0.0000000 0.3937115 0.2220479), wk = 0.0028736 k( 300) = ( 0.0000000 0.3937115 0.2359259), wk = 0.0028736 k( 301) = ( 0.0000000 0.3937115 0.2498039), wk = 0.0028736 k( 302) = ( 0.0000000 0.3937115 0.2636819), wk = 0.0028736 k( 303) = ( 0.0000000 0.3937115 0.2775599), wk = 0.0028736 k( 304) = ( 0.0000000 0.3937115 0.2914379), wk = 0.0028736 k( 305) = ( 0.5000000 -0.0000000 0.2914379), wk = 0.0028736 k( 306) = ( 0.5000000 -0.0000000 0.2775599), wk = 0.0028736 k( 307) = ( 0.5000000 -0.0000000 0.2636819), wk = 0.0028736 k( 308) = ( 0.5000000 -0.0000000 0.2498039), wk = 0.0028736 k( 309) = ( 0.5000000 -0.0000000 0.2359259), wk = 0.0028736 k( 310) = ( 0.5000000 -0.0000000 0.2220479), wk = 0.0028736 k( 311) = ( 0.5000000 -0.0000000 0.2081699), wk = 0.0028736 k( 312) = ( 0.5000000 -0.0000000 0.1942919), wk = 0.0028736 k( 313) = ( 0.5000000 -0.0000000 0.1804139), wk = 0.0028736 k( 314) = ( 0.5000000 -0.0000000 0.1665359), wk = 0.0028736 k( 315) = ( 0.5000000 -0.0000000 0.1526579), wk = 0.0028736 k( 316) = ( 0.5000000 -0.0000000 0.1387799), wk = 0.0028736 k( 317) = ( 0.5000000 -0.0000000 0.1249020), wk = 0.0028736 k( 318) = ( 0.5000000 -0.0000000 0.1110240), wk = 0.0028736 k( 319) = ( 0.5000000 -0.0000000 0.0971460), wk = 0.0028736 k( 320) = ( 0.5000000 -0.0000000 0.0832680), wk = 0.0028736 k( 321) = ( 0.5000000 -0.0000000 0.0693900), wk = 0.0028736 k( 322) = ( 0.5000000 -0.0000000 0.0555120), wk = 0.0028736 k( 323) = ( 0.5000000 -0.0000000 0.0416340), wk = 0.0028736 k( 324) = ( 0.5000000 -0.0000000 0.0277560), wk = 0.0028736 k( 325) = ( 0.5000000 -0.0000000 0.0138780), wk = 0.0028736 k( 326) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 327) = ( 0.5000000 0.3937115 -0.0000000), wk = 0.0028736 k( 328) = ( 0.5000000 0.3937115 0.0138780), wk = 0.0028736 k( 329) = ( 0.5000000 0.3937115 0.0277560), wk = 0.0028736 k( 330) = ( 0.5000000 0.3937115 0.0416340), wk = 0.0028736 k( 331) = ( 0.5000000 0.3937115 0.0555120), wk = 0.0028736 k( 332) = ( 0.5000000 0.3937115 0.0693900), wk = 0.0028736 k( 333) = ( 0.5000000 0.3937115 0.0832680), wk = 0.0028736 k( 334) = ( 0.5000000 0.3937115 0.0971460), wk = 0.0028736 k( 335) = ( 0.5000000 0.3937115 0.1110240), wk = 0.0028736 k( 336) = ( 0.5000000 0.3937115 0.1249020), wk = 0.0028736 k( 337) = ( 0.5000000 0.3937115 0.1387799), wk = 0.0028736 k( 338) = ( 0.5000000 0.3937115 0.1526579), wk = 0.0028736 k( 339) = ( 0.5000000 0.3937115 0.1665359), wk = 0.0028736 k( 340) = ( 0.5000000 0.3937115 0.1804139), wk = 0.0028736 k( 341) = ( 0.5000000 0.3937115 0.1942919), wk = 0.0028736 k( 342) = ( 0.5000000 0.3937115 0.2081699), wk = 0.0028736 k( 343) = ( 0.5000000 0.3937115 0.2220479), wk = 0.0028736 k( 344) = ( 0.5000000 0.3937115 0.2359259), wk = 0.0028736 k( 345) = ( 0.5000000 0.3937115 0.2498039), wk = 0.0028736 k( 346) = ( 0.5000000 0.3937115 0.2636819), wk = 0.0028736 k( 347) = ( 0.5000000 0.3937115 0.2775599), wk = 0.0028736 k( 348) = ( 0.5000000 0.3937115 0.2914379), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0142857 0.0000000 0.0000000), wk = 0.0028736 k( 3) = ( 0.0285714 -0.0000000 0.0000000), wk = 0.0028736 k( 4) = ( 0.0428571 -0.0000000 0.0000000), wk = 0.0028736 k( 5) = ( 0.0571429 -0.0000000 0.0000000), wk = 0.0028736 k( 6) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0028736 k( 7) = ( 0.0857143 -0.0000000 0.0000000), wk = 0.0028736 k( 8) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0028736 k( 9) = ( 0.1142857 -0.0000000 0.0000000), wk = 0.0028736 k( 10) = ( 0.1285714 -0.0000000 0.0000000), wk = 0.0028736 k( 11) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0028736 k( 12) = ( 0.1571429 -0.0000000 0.0000000), wk = 0.0028736 k( 13) = ( 0.1714286 0.0000000 0.0000000), wk = 0.0028736 k( 14) = ( 0.1857143 0.0000000 0.0000000), wk = 0.0028736 k( 15) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0028736 k( 16) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0028736 k( 17) = ( 0.2285714 0.0000000 0.0000000), wk = 0.0028736 k( 18) = ( 0.2428571 -0.0000000 0.0000000), wk = 0.0028736 k( 19) = ( 0.2571429 -0.0000000 0.0000000), wk = 0.0028736 k( 20) = ( 0.2714286 -0.0000000 0.0000000), wk = 0.0028736 k( 21) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0028736 k( 22) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0028736 k( 23) = ( 0.3142857 -0.0000000 0.0000000), wk = 0.0028736 k( 24) = ( 0.3285714 -0.0000000 0.0000000), wk = 0.0028736 k( 25) = ( 0.3428571 0.0000000 0.0000000), wk = 0.0028736 k( 26) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0028736 k( 27) = ( 0.3714286 0.0000000 0.0000000), wk = 0.0028736 k( 28) = ( 0.3857143 0.0000000 -0.0000000), wk = 0.0028736 k( 29) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0028736 k( 30) = ( 0.4142857 0.0000000 0.0000000), wk = 0.0028736 k( 31) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0028736 k( 32) = ( 0.4428571 0.0000000 0.0000000), wk = 0.0028736 k( 33) = ( 0.4571429 0.0000000 0.0000000), wk = 0.0028736 k( 34) = ( 0.4714286 0.0000000 0.0000000), wk = 0.0028736 k( 35) = ( 0.4857143 -0.0000000 0.0000000), wk = 0.0028736 k( 36) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 37) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 38) = ( 0.5000000 0.0178571 0.0000000), wk = 0.0028736 k( 39) = ( 0.5000000 0.0357143 0.0000000), wk = 0.0028736 k( 40) = ( 0.5000000 0.0535714 0.0000000), wk = 0.0028736 k( 41) = ( 0.5000000 0.0714286 -0.0000000), wk = 0.0028736 k( 42) = ( 0.5000000 0.0892857 0.0000000), wk = 0.0028736 k( 43) = ( 0.5000000 0.1071429 0.0000000), wk = 0.0028736 k( 44) = ( 0.5000000 0.1250000 0.0000000), wk = 0.0028736 k( 45) = ( 0.5000000 0.1428571 0.0000000), wk = 0.0028736 k( 46) = ( 0.5000000 0.1607143 0.0000000), wk = 0.0028736 k( 47) = ( 0.5000000 0.1785714 0.0000000), wk = 0.0028736 k( 48) = ( 0.5000000 0.1964286 0.0000000), wk = 0.0028736 k( 49) = ( 0.5000000 0.2142857 0.0000000), wk = 0.0028736 k( 50) = ( 0.5000000 0.2321429 0.0000000), wk = 0.0028736 k( 51) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0028736 k( 52) = ( 0.5000000 0.2678571 0.0000000), wk = 0.0028736 k( 53) = ( 0.5000000 0.2857143 0.0000000), wk = 0.0028736 k( 54) = ( 0.5000000 0.3035714 -0.0000000), wk = 0.0028736 k( 55) = ( 0.5000000 0.3214286 0.0000000), wk = 0.0028736 k( 56) = ( 0.5000000 0.3392857 0.0000000), wk = 0.0028736 k( 57) = ( 0.5000000 0.3571429 -0.0000000), wk = 0.0028736 k( 58) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0028736 k( 59) = ( 0.5000000 0.3928571 -0.0000000), wk = 0.0028736 k( 60) = ( 0.5000000 0.4107143 0.0000000), wk = 0.0028736 k( 61) = ( 0.5000000 0.4285714 -0.0000000), wk = 0.0028736 k( 62) = ( 0.5000000 0.4464286 0.0000000), wk = 0.0028736 k( 63) = ( 0.5000000 0.4642857 0.0000000), wk = 0.0028736 k( 64) = ( 0.5000000 0.4821429 0.0000000), wk = 0.0028736 k( 65) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 66) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 67) = ( 0.4857143 0.5000000 0.0000000), wk = 0.0028736 k( 68) = ( 0.4714286 0.5000000 0.0000000), wk = 0.0028736 k( 69) = ( 0.4571429 0.5000000 0.0000000), wk = 0.0028736 k( 70) = ( 0.4428571 0.5000000 0.0000000), wk = 0.0028736 k( 71) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0028736 k( 72) = ( 0.4142857 0.5000000 0.0000000), wk = 0.0028736 k( 73) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0028736 k( 74) = ( 0.3857143 0.5000000 0.0000000), wk = 0.0028736 k( 75) = ( 0.3714286 0.5000000 0.0000000), wk = 0.0028736 k( 76) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0028736 k( 77) = ( 0.3428571 0.5000000 0.0000000), wk = 0.0028736 k( 78) = ( 0.3285714 0.5000000 0.0000000), wk = 0.0028736 k( 79) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0028736 k( 80) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0028736 k( 81) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0028736 k( 82) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0028736 k( 83) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0028736 k( 84) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0028736 k( 85) = ( 0.2285714 0.5000000 0.0000000), wk = 0.0028736 k( 86) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0028736 k( 87) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0028736 k( 88) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0028736 k( 89) = ( 0.1714286 0.5000000 0.0000000), wk = 0.0028736 k( 90) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0028736 k( 91) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0028736 k( 92) = ( 0.1285714 0.5000000 0.0000000), wk = 0.0028736 k( 93) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0028736 k( 94) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0028736 k( 95) = ( 0.0857143 0.5000000 0.0000000), wk = 0.0028736 k( 96) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0028736 k( 97) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0028736 k( 98) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0028736 k( 99) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0028736 k( 100) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0028736 k( 101) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028736 k( 102) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028736 k( 103) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0028736 k( 104) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0028736 k( 105) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0028736 k( 106) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0028736 k( 107) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0028736 k( 108) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0028736 k( 109) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0028736 k( 110) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0028736 k( 111) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0028736 k( 112) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0028736 k( 113) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0028736 k( 114) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0028736 k( 115) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0028736 k( 116) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028736 k( 117) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0028736 k( 118) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0028736 k( 119) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0028736 k( 120) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0028736 k( 121) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0028736 k( 122) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0028736 k( 123) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0028736 k( 124) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0028736 k( 125) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0028736 k( 126) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0028736 k( 127) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0028736 k( 128) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0028736 k( 129) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0028736 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 132) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0028736 k( 133) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0028736 k( 134) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0028736 k( 135) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 154) = ( 0.0142857 0.0000000 0.5000000), wk = 0.0028736 k( 155) = ( 0.0285714 -0.0000000 0.5000000), wk = 0.0028736 k( 156) = ( 0.0428571 -0.0000000 0.5000000), wk = 0.0028736 k( 157) = ( 0.0571429 -0.0000000 0.5000000), wk = 0.0028736 k( 158) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0028736 k( 159) = ( 0.0857143 -0.0000000 0.5000000), wk = 0.0028736 k( 160) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0028736 k( 161) = ( 0.1142857 -0.0000000 0.5000000), wk = 0.0028736 k( 162) = ( 0.1285714 -0.0000000 0.5000000), wk = 0.0028736 k( 163) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0028736 k( 164) = ( 0.1571429 -0.0000000 0.5000000), wk = 0.0028736 k( 165) = ( 0.1714286 0.0000000 0.5000000), wk = 0.0028736 k( 166) = ( 0.1857143 0.0000000 0.5000000), wk = 0.0028736 k( 167) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0028736 k( 168) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0028736 k( 169) = ( 0.2285714 0.0000000 0.5000000), wk = 0.0028736 k( 170) = ( 0.2428571 -0.0000000 0.5000000), wk = 0.0028736 k( 171) = ( 0.2571429 -0.0000000 0.5000000), wk = 0.0028736 k( 172) = ( 0.2714286 -0.0000000 0.5000000), wk = 0.0028736 k( 173) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0028736 k( 174) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0028736 k( 175) = ( 0.3142857 -0.0000000 0.5000000), wk = 0.0028736 k( 176) = ( 0.3285714 -0.0000000 0.5000000), wk = 0.0028736 k( 177) = ( 0.3428571 0.0000000 0.5000000), wk = 0.0028736 k( 178) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0028736 k( 179) = ( 0.3714286 0.0000000 0.5000000), wk = 0.0028736 k( 180) = ( 0.3857143 0.0000000 0.5000000), wk = 0.0028736 k( 181) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0028736 k( 182) = ( 0.4142857 0.0000000 0.5000000), wk = 0.0028736 k( 183) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0028736 k( 184) = ( 0.4428571 0.0000000 0.5000000), wk = 0.0028736 k( 185) = ( 0.4571429 0.0000000 0.5000000), wk = 0.0028736 k( 186) = ( 0.4714286 0.0000000 0.5000000), wk = 0.0028736 k( 187) = ( 0.4857143 -0.0000000 0.5000000), wk = 0.0028736 k( 188) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 189) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 190) = ( 0.5000000 0.0178571 0.5000000), wk = 0.0028736 k( 191) = ( 0.5000000 0.0357143 0.5000000), wk = 0.0028736 k( 192) = ( 0.5000000 0.0535714 0.5000000), wk = 0.0028736 k( 193) = ( 0.5000000 0.0714286 0.5000000), wk = 0.0028736 k( 194) = ( 0.5000000 0.0892857 0.5000000), wk = 0.0028736 k( 195) = ( 0.5000000 0.1071429 0.5000000), wk = 0.0028736 k( 196) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0028736 k( 197) = ( 0.5000000 0.1428571 0.5000000), wk = 0.0028736 k( 198) = ( 0.5000000 0.1607143 0.5000000), wk = 0.0028736 k( 199) = ( 0.5000000 0.1785714 0.5000000), wk = 0.0028736 k( 200) = ( 0.5000000 0.1964286 0.5000000), wk = 0.0028736 k( 201) = ( 0.5000000 0.2142857 0.5000000), wk = 0.0028736 k( 202) = ( 0.5000000 0.2321429 0.5000000), wk = 0.0028736 k( 203) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0028736 k( 204) = ( 0.5000000 0.2678571 0.5000000), wk = 0.0028736 k( 205) = ( 0.5000000 0.2857143 0.5000000), wk = 0.0028736 k( 206) = ( 0.5000000 0.3035714 0.5000000), wk = 0.0028736 k( 207) = ( 0.5000000 0.3214286 0.5000000), wk = 0.0028736 k( 208) = ( 0.5000000 0.3392857 0.5000000), wk = 0.0028736 k( 209) = ( 0.5000000 0.3571429 0.5000000), wk = 0.0028736 k( 210) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0028736 k( 211) = ( 0.5000000 0.3928571 0.5000000), wk = 0.0028736 k( 212) = ( 0.5000000 0.4107143 0.5000000), wk = 0.0028736 k( 213) = ( 0.5000000 0.4285714 0.5000000), wk = 0.0028736 k( 214) = ( 0.5000000 0.4464286 0.5000000), wk = 0.0028736 k( 215) = ( 0.5000000 0.4642857 0.5000000), wk = 0.0028736 k( 216) = ( 0.5000000 0.4821429 0.5000000), wk = 0.0028736 k( 217) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 219) = ( 0.4857143 0.5000000 0.5000000), wk = 0.0028736 k( 220) = ( 0.4714286 0.5000000 0.5000000), wk = 0.0028736 k( 221) = ( 0.4571429 0.5000000 0.5000000), wk = 0.0028736 k( 222) = ( 0.4428571 0.5000000 0.5000000), wk = 0.0028736 k( 223) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0028736 k( 224) = ( 0.4142857 0.5000000 0.5000000), wk = 0.0028736 k( 225) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0028736 k( 226) = ( 0.3857143 0.5000000 0.5000000), wk = 0.0028736 k( 227) = ( 0.3714286 0.5000000 0.5000000), wk = 0.0028736 k( 228) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0028736 k( 229) = ( 0.3428571 0.5000000 0.5000000), wk = 0.0028736 k( 230) = ( 0.3285714 0.5000000 0.5000000), wk = 0.0028736 k( 231) = ( 0.3142857 0.5000000 0.5000000), wk = 0.0028736 k( 232) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0028736 k( 233) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0028736 k( 234) = ( 0.2714286 0.5000000 0.5000000), wk = 0.0028736 k( 235) = ( 0.2571429 0.5000000 0.5000000), wk = 0.0028736 k( 236) = ( 0.2428571 0.5000000 0.5000000), wk = 0.0028736 k( 237) = ( 0.2285714 0.5000000 0.5000000), wk = 0.0028736 k( 238) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0028736 k( 239) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0028736 k( 240) = ( 0.1857143 0.5000000 0.5000000), wk = 0.0028736 k( 241) = ( 0.1714286 0.5000000 0.5000000), wk = 0.0028736 k( 242) = ( 0.1571429 0.5000000 0.5000000), wk = 0.0028736 k( 243) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0028736 k( 244) = ( 0.1285714 0.5000000 0.5000000), wk = 0.0028736 k( 245) = ( 0.1142857 0.5000000 0.5000000), wk = 0.0028736 k( 246) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0028736 k( 247) = ( 0.0857143 0.5000000 0.5000000), wk = 0.0028736 k( 248) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0028736 k( 249) = ( 0.0571429 0.5000000 0.5000000), wk = 0.0028736 k( 250) = ( 0.0428571 0.5000000 0.5000000), wk = 0.0028736 k( 251) = ( 0.0285714 0.5000000 0.5000000), wk = 0.0028736 k( 252) = ( 0.0142857 0.5000000 0.5000000), wk = 0.0028736 k( 253) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 254) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 255) = ( 0.0000000 0.4821429 0.5000000), wk = 0.0028736 k( 256) = ( 0.0000000 0.4642857 0.5000000), wk = 0.0028736 k( 257) = ( 0.0000000 0.4464286 0.5000000), wk = 0.0028736 k( 258) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0028736 k( 259) = ( 0.0000000 0.4107143 0.5000000), wk = 0.0028736 k( 260) = ( 0.0000000 0.3928571 0.5000000), wk = 0.0028736 k( 261) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0028736 k( 262) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0028736 k( 263) = ( 0.0000000 0.3392857 0.5000000), wk = 0.0028736 k( 264) = ( 0.0000000 0.3214286 0.5000000), wk = 0.0028736 k( 265) = ( 0.0000000 0.3035714 0.5000000), wk = 0.0028736 k( 266) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0028736 k( 267) = ( 0.0000000 0.2678571 0.5000000), wk = 0.0028736 k( 268) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0028736 k( 269) = ( 0.0000000 0.2321429 0.5000000), wk = 0.0028736 k( 270) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0028736 k( 271) = ( 0.0000000 0.1964286 0.5000000), wk = 0.0028736 k( 272) = ( 0.0000000 0.1785714 0.5000000), wk = 0.0028736 k( 273) = ( 0.0000000 0.1607143 0.5000000), wk = 0.0028736 k( 274) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0028736 k( 275) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0028736 k( 276) = ( 0.0000000 0.1071429 0.5000000), wk = 0.0028736 k( 277) = ( 0.0000000 0.0892857 0.5000000), wk = 0.0028736 k( 278) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0028736 k( 279) = ( 0.0000000 0.0535714 0.5000000), wk = 0.0028736 k( 280) = ( 0.0000000 0.0357143 0.5000000), wk = 0.0028736 k( 281) = ( 0.0000000 0.0178571 0.5000000), wk = 0.0028736 k( 282) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 283) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028736 k( 284) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0028736 k( 285) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0028736 k( 286) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0028736 k( 287) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0028736 k( 288) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0028736 k( 289) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0028736 k( 290) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0028736 k( 291) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0028736 k( 292) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0028736 k( 293) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0028736 k( 294) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0028736 k( 295) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0028736 k( 296) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0028736 k( 297) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0028736 k( 298) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0028736 k( 299) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0028736 k( 300) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0028736 k( 301) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0028736 k( 302) = ( 0.0000000 0.5000000 0.4523809), wk = 0.0028736 k( 303) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0028736 k( 304) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 305) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 306) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0028736 k( 307) = ( 0.5000000 0.0000000 0.4523810), wk = 0.0028736 k( 308) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0028736 k( 309) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0028736 k( 310) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0028736 k( 311) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0028736 k( 312) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0028736 k( 313) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0028736 k( 314) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0028736 k( 315) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0028736 k( 316) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0028736 k( 317) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0028736 k( 318) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0028736 k( 319) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0028736 k( 320) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0028736 k( 321) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0028736 k( 322) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0028736 k( 323) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0028736 k( 324) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0028736 k( 325) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0028736 k( 326) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 327) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 328) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0028736 k( 329) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0028736 k( 330) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0028736 k( 331) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0028736 k( 332) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0028736 k( 333) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0028736 k( 334) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0028736 k( 335) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0028736 k( 336) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0028736 k( 337) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0028736 k( 338) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0028736 k( 339) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0028736 k( 340) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0028736 k( 341) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0028736 k( 342) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0028736 k( 343) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0028736 k( 344) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0028736 k( 345) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0028736 k( 346) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0028736 k( 347) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0028736 k( 348) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 Dense grid: 139335 G-vectors FFT dimensions: ( 50, 64, 90) Smooth grid: 104421 G-vectors FFT dimensions: ( 45, 60, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.72 Mb ( 762, 62) NL pseudopotentials 0.84 Mb ( 381, 144) Each V/rho on FFT grid 0.15 Mb ( 9600) Each G-vector array 0.03 Mb ( 3872) G-vector shells 0.02 Mb ( 1970) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.88 Mb ( 762, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.27 Mb ( 144, 2, 62) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./NaB3H8.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.7 secs Computing kpt #: 6 total cpu time spent up to now is 7.7 secs Computing kpt #: 7 total cpu time spent up to now is 8.7 secs Computing kpt #: 8 total cpu time spent up to now is 9.7 secs Computing kpt #: 9 total cpu time spent up to now is 10.7 secs Computing kpt #: 10 total cpu time spent up to now is 11.8 secs Computing kpt #: 11 total cpu time spent up to now is 12.9 secs Computing kpt #: 12 total cpu time spent up to now is 13.9 secs Computing kpt #: 13 total cpu time spent up to now is 14.9 secs Computing kpt #: 14 total cpu time spent up to now is 15.9 secs Computing kpt #: 15 total cpu time spent up to now is 17.0 secs Computing kpt #: 16 total cpu time spent up to now is 18.1 secs Computing kpt #: 17 total cpu time spent up to now is 19.2 secs Computing kpt #: 18 total cpu time spent up to now is 20.3 secs Computing kpt #: 19 total cpu time spent up to now is 21.6 secs Computing kpt #: 20 total cpu time spent up to now is 22.7 secs Computing kpt #: 21 total cpu time spent up to now is 23.8 secs Computing kpt #: 22 total cpu time spent up to now is 24.9 secs Computing kpt #: 23 total cpu time spent up to now is 26.0 secs Computing kpt #: 24 total cpu time spent up to now is 27.0 secs Computing kpt #: 25 total cpu time spent up to now is 28.1 secs Computing kpt #: 26 total cpu time spent up to now is 29.2 secs Computing kpt #: 27 total cpu time spent up to now is 30.3 secs Computing kpt #: 28 total cpu time spent up to now is 31.4 secs Computing kpt #: 29 total cpu time spent up to now is 32.5 secs Computing kpt #: 30 total cpu time spent up to now is 33.6 secs Computing kpt #: 31 total cpu time spent up to now is 34.7 secs Computing kpt #: 32 total cpu time spent up to now is 36.1 secs Computing kpt #: 33 total cpu time spent up to now is 37.2 secs Computing kpt #: 34 total cpu time spent up to now is 38.5 secs Computing kpt #: 35 total cpu time spent up to now is 39.8 secs Computing kpt #: 36 total cpu time spent up to now is 40.8 secs Computing kpt #: 37 total cpu time spent up to now is 41.9 secs Computing kpt #: 38 total cpu time spent up to now is 42.9 secs Computing kpt #: 39 total cpu time spent up to now is 44.0 secs Computing kpt #: 40 total cpu time spent up to now is 45.0 secs Computing kpt #: 41 total cpu time spent up to now is 46.1 secs Computing kpt #: 42 total cpu time spent up to now is 47.2 secs Computing kpt #: 43 total cpu time spent up to now is 48.3 secs Computing kpt #: 44 total cpu time spent up to now is 49.3 secs Computing kpt #: 45 total cpu time spent up to now is 50.3 secs Computing kpt #: 46 total cpu time spent up to now is 51.4 secs Computing kpt #: 47 total cpu time spent up to now is 52.5 secs Computing kpt #: 48 total cpu time spent up to now is 53.5 secs Computing kpt #: 49 total cpu time spent up to now is 54.6 secs Computing kpt #: 50 total cpu time spent up to now is 55.7 secs Computing kpt #: 51 total cpu time spent up to now is 56.8 secs Computing kpt #: 52 total cpu time spent up to now is 57.9 secs Computing kpt #: 53 total cpu time spent up to now is 59.0 secs Computing kpt #: 54 total cpu time spent up to now is 60.1 secs Computing kpt #: 55 total cpu time spent up to now is 61.4 secs Computing kpt #: 56 total cpu time spent up to now is 62.8 secs Computing kpt #: 57 total cpu time spent up to now is 64.2 secs Computing kpt #: 58 total cpu time spent up to now is 65.3 secs Computing kpt #: 59 total cpu time spent up to now is 66.6 secs Computing kpt #: 60 total cpu time spent up to now is 68.0 secs Computing kpt #: 61 total cpu time spent up to now is 69.2 secs Computing kpt #: 62 total cpu time spent up to now is 70.6 secs Computing kpt #: 63 total cpu time spent up to now is 71.9 secs Computing kpt #: 64 total cpu time spent up to now is 73.2 secs Computing kpt #: 65 total cpu time spent up to now is 74.4 secs Computing kpt #: 66 total cpu time spent up to now is 75.7 secs Computing kpt #: 67 total cpu time spent up to now is 77.0 secs Computing kpt #: 68 total cpu time spent up to now is 78.2 secs Computing kpt #: 69 total cpu time spent up to now is 79.5 secs Computing kpt #: 70 total cpu time spent up to now is 80.8 secs Computing kpt #: 71 total cpu time spent up to now is 82.2 secs Computing kpt #: 72 total cpu time spent up to now is 83.5 secs Computing kpt #: 73 total cpu time spent up to now is 84.9 secs Computing kpt #: 74 total cpu time spent up to now is 86.2 secs Computing kpt #: 75 total cpu time spent up to now is 87.5 secs Computing kpt #: 76 total cpu time spent up to now is 88.8 secs Computing kpt #: 77 total cpu time spent up to now is 90.1 secs Computing kpt #: 78 total cpu time spent up to now is 91.4 secs Computing kpt #: 79 total cpu time spent up to now is 92.7 secs Computing kpt #: 80 total cpu time spent up to now is 94.0 secs Computing kpt #: 81 total cpu time spent up to now is 95.3 secs Computing kpt #: 82 total cpu time spent up to now is 96.6 secs Computing kpt #: 83 total cpu time spent up to now is 97.9 secs Computing kpt #: 84 total cpu time spent up to now is 99.2 secs Computing kpt #: 85 total cpu time spent up to now is 100.5 secs Computing kpt #: 86 total cpu time spent up to now is 101.8 secs Computing kpt #: 87 total cpu time spent up to now is 103.1 secs Computing kpt #: 88 total cpu time spent up to now is 104.4 secs Computing kpt #: 89 total cpu time spent up to now is 105.6 secs Computing kpt #: 90 total cpu time spent up to now is 106.9 secs Computing kpt #: 91 total cpu time spent up to now is 108.2 secs Computing kpt #: 92 total cpu time spent up to now is 109.5 secs Computing kpt #: 93 total cpu time spent up to now is 110.7 secs Computing kpt #: 94 total cpu time spent up to now is 112.0 secs Computing kpt #: 95 total cpu time spent up to now is 113.2 secs Computing kpt #: 96 total cpu time spent up to now is 114.4 secs Computing kpt #: 97 total cpu time spent up to now is 115.4 secs Computing kpt #: 98 total cpu time spent up to now is 116.5 secs Computing kpt #: 99 total cpu time spent up to now is 117.6 secs Computing kpt #: 100 total cpu time spent up to now is 118.7 secs Computing kpt #: 101 total cpu time spent up to now is 119.8 secs Computing kpt #: 102 total cpu time spent up to now is 121.0 secs Computing kpt #: 103 total cpu time spent up to now is 122.1 secs Computing kpt #: 104 total cpu time spent up to now is 123.2 secs Computing kpt #: 105 total cpu time spent up to now is 124.3 secs Computing kpt #: 106 total cpu time spent up to now is 125.4 secs Computing kpt #: 107 total cpu time spent up to now is 126.6 secs Computing kpt #: 108 total cpu time spent up to now is 127.8 secs Computing kpt #: 109 total cpu time spent up to now is 128.9 secs Computing kpt #: 110 total cpu time spent up to now is 130.2 secs Computing kpt #: 111 total cpu time spent up to now is 131.4 secs Computing kpt #: 112 total cpu time spent up to now is 132.7 secs Computing kpt #: 113 total cpu time spent up to now is 134.0 secs Computing kpt #: 114 total cpu time spent up to now is 135.4 secs Computing kpt #: 115 total cpu time spent up to now is 136.7 secs Computing kpt #: 116 total cpu time spent up to now is 138.0 secs Computing kpt #: 117 total cpu time spent up to now is 139.1 secs Computing kpt #: 118 total cpu time spent up to now is 140.2 secs Computing kpt #: 119 total cpu time spent up to now is 141.3 secs Computing kpt #: 120 total cpu time spent up to now is 142.3 secs Computing kpt #: 121 total cpu time spent up to now is 143.4 secs Computing kpt #: 122 total cpu time spent up to now is 144.5 secs Computing kpt #: 123 total cpu time spent up to now is 145.5 secs Computing kpt #: 124 total cpu time spent up to now is 146.5 secs Computing kpt #: 125 total cpu time spent up to now is 147.6 secs Computing kpt #: 126 total cpu time spent up to now is 148.6 secs Computing kpt #: 127 total cpu time spent up to now is 149.6 secs Computing kpt #: 128 total cpu time spent up to now is 150.6 secs Computing kpt #: 129 total cpu time spent up to now is 151.7 secs Computing kpt #: 130 total cpu time spent up to now is 152.7 secs Computing kpt #: 131 total cpu time spent up to now is 153.7 secs Computing kpt #: 132 total cpu time spent up to now is 154.7 secs Computing kpt #: 133 total cpu time spent up to now is 155.7 secs Computing kpt #: 134 total cpu time spent up to now is 156.7 secs Computing kpt #: 135 total cpu time spent up to now is 157.8 secs Computing kpt #: 136 total cpu time spent up to now is 158.8 secs Computing kpt #: 137 total cpu time spent up to now is 159.8 secs Computing kpt #: 138 total cpu time spent up to now is 160.8 secs Computing kpt #: 139 total cpu time spent up to now is 161.9 secs Computing kpt #: 140 total cpu time spent up to now is 163.0 secs Computing kpt #: 141 total cpu time spent up to now is 164.0 secs Computing kpt #: 142 total cpu time spent up to now is 165.1 secs Computing kpt #: 143 total cpu time spent up to now is 166.2 secs Computing kpt #: 144 total cpu time spent up to now is 167.2 secs Computing kpt #: 145 total cpu time spent up to now is 168.3 secs Computing kpt #: 146 total cpu time spent up to now is 169.4 secs Computing kpt #: 147 total cpu time spent up to now is 170.5 secs Computing kpt #: 148 total cpu time spent up to now is 171.6 secs Computing kpt #: 149 total cpu time spent up to now is 172.8 secs Computing kpt #: 150 total cpu time spent up to now is 173.9 secs Computing kpt #: 151 total cpu time spent up to now is 175.1 secs Computing kpt #: 152 total cpu time spent up to now is 176.4 secs Computing kpt #: 153 total cpu time spent up to now is 177.8 secs Computing kpt #: 154 total cpu time spent up to now is 179.1 secs Computing kpt #: 155 total cpu time spent up to now is 180.4 secs Computing kpt #: 156 total cpu time spent up to now is 181.7 secs Computing kpt #: 157 total cpu time spent up to now is 183.1 secs Computing kpt #: 158 total cpu time spent up to now is 184.4 secs Computing kpt #: 159 total cpu time spent up to now is 185.8 secs Computing kpt #: 160 total cpu time spent up to now is 187.1 secs Computing kpt #: 161 total cpu time spent up to now is 188.4 secs Computing kpt #: 162 total cpu time spent up to now is 189.8 secs Computing kpt #: 163 total cpu time spent up to now is 191.1 secs Computing kpt #: 164 total cpu time spent up to now is 192.4 secs Computing kpt #: 165 total cpu time spent up to now is 193.8 secs Computing kpt #: 166 total cpu time spent up to now is 195.1 secs Computing kpt #: 167 total cpu time spent up to now is 196.5 secs Computing kpt #: 168 total cpu time spent up to now is 197.8 secs Computing kpt #: 169 total cpu time spent up to now is 199.2 secs Computing kpt #: 170 total cpu time spent up to now is 200.5 secs Computing kpt #: 171 total cpu time spent up to now is 201.8 secs Computing kpt #: 172 total cpu time spent up to now is 203.2 secs Computing kpt #: 173 total cpu time spent up to now is 204.5 secs Computing kpt #: 174 total cpu time spent up to now is 205.8 secs Computing kpt #: 175 total cpu time spent up to now is 207.2 secs Computing kpt #: 176 total cpu time spent up to now is 208.5 secs Computing kpt #: 177 total cpu time spent up to now is 209.8 secs Computing kpt #: 178 total cpu time spent up to now is 211.1 secs Computing kpt #: 179 total cpu time spent up to now is 212.4 secs Computing kpt #: 180 total cpu time spent up to now is 213.8 secs Computing kpt #: 181 total cpu time spent up to now is 215.2 secs Computing kpt #: 182 total cpu time spent up to now is 216.5 secs Computing kpt #: 183 total cpu time spent up to now is 217.8 secs Computing kpt #: 184 total cpu time spent up to now is 219.1 secs Computing kpt #: 185 total cpu time spent up to now is 220.5 secs Computing kpt #: 186 total cpu time spent up to now is 221.8 secs Computing kpt #: 187 total cpu time spent up to now is 223.2 secs Computing kpt #: 188 total cpu time spent up to now is 224.5 secs Computing kpt #: 189 total cpu time spent up to now is 225.8 secs Computing kpt #: 190 total cpu time spent up to now is 227.1 secs Computing kpt #: 191 total cpu time spent up to now is 228.4 secs Computing kpt #: 192 total cpu time spent up to now is 229.7 secs Computing kpt #: 193 total cpu time spent up to now is 231.1 secs Computing kpt #: 194 total cpu time spent up to now is 232.4 secs Computing kpt #: 195 total cpu time spent up to now is 233.7 secs Computing kpt #: 196 total cpu time spent up to now is 235.0 secs Computing kpt #: 197 total cpu time spent up to now is 236.4 secs Computing kpt #: 198 total cpu time spent up to now is 237.7 secs Computing kpt #: 199 total cpu time spent up to now is 239.0 secs Computing kpt #: 200 total cpu time spent up to now is 240.4 secs Computing kpt #: 201 total cpu time spent up to now is 241.7 secs Computing kpt #: 202 total cpu time spent up to now is 243.0 secs Computing kpt #: 203 total cpu time spent up to now is 244.3 secs Computing kpt #: 204 total cpu time spent up to now is 245.7 secs Computing kpt #: 205 total cpu time spent up to now is 247.0 secs Computing kpt #: 206 total cpu time spent up to now is 248.4 secs Computing kpt #: 207 total cpu time spent up to now is 249.7 secs Computing kpt #: 208 total cpu time spent up to now is 251.1 secs Computing kpt #: 209 total cpu time spent up to now is 252.4 secs Computing kpt #: 210 total cpu time spent up to now is 253.7 secs Computing kpt #: 211 total cpu time spent up to now is 255.1 secs Computing kpt #: 212 total cpu time spent up to now is 256.4 secs Computing kpt #: 213 total cpu time spent up to now is 257.7 secs Computing kpt #: 214 total cpu time spent up to now is 259.0 secs Computing kpt #: 215 total cpu time spent up to now is 260.4 secs Computing kpt #: 216 total cpu time spent up to now is 261.7 secs Computing kpt #: 217 total cpu time spent up to now is 263.1 secs Computing kpt #: 218 total cpu time spent up to now is 264.4 secs Computing kpt #: 219 total cpu time spent up to now is 265.7 secs Computing kpt #: 220 total cpu time spent up to now is 267.1 secs Computing kpt #: 221 total cpu time spent up to now is 268.4 secs Computing kpt #: 222 total cpu time spent up to now is 269.7 secs Computing kpt #: 223 total cpu time spent up to now is 271.1 secs Computing kpt #: 224 total cpu time spent up to now is 272.5 secs Computing kpt #: 225 total cpu time spent up to now is 273.8 secs Computing kpt #: 226 total cpu time spent up to now is 275.2 secs Computing kpt #: 227 total cpu time spent up to now is 276.5 secs Computing kpt #: 228 total cpu time spent up to now is 277.9 secs Computing kpt #: 229 total cpu time spent up to now is 279.3 secs Computing kpt #: 230 total cpu time spent up to now is 281.0 secs Computing kpt #: 231 total cpu time spent up to now is 282.7 secs Computing kpt #: 232 total cpu time spent up to now is 284.2 secs Computing kpt #: 233 total cpu time spent up to now is 285.5 secs Computing kpt #: 234 total cpu time spent up to now is 286.9 secs Computing kpt #: 235 total cpu time spent up to now is 288.3 secs Computing kpt #: 236 total cpu time spent up to now is 289.6 secs Computing kpt #: 237 total cpu time spent up to now is 291.0 secs Computing kpt #: 238 total cpu time spent up to now is 292.3 secs Computing kpt #: 239 total cpu time spent up to now is 293.7 secs Computing kpt #: 240 total cpu time spent up to now is 295.1 secs Computing kpt #: 241 total cpu time spent up to now is 296.5 secs Computing kpt #: 242 total cpu time spent up to now is 297.9 secs Computing kpt #: 243 total cpu time spent up to now is 299.2 secs Computing kpt #: 244 total cpu time spent up to now is 300.6 secs Computing kpt #: 245 total cpu time spent up to now is 301.9 secs Computing kpt #: 246 total cpu time spent up to now is 303.3 secs Computing kpt #: 247 total cpu time spent up to now is 304.6 secs Computing kpt #: 248 total cpu time spent up to now is 306.0 secs Computing kpt #: 249 total cpu time spent up to now is 307.4 secs Computing kpt #: 250 total cpu time spent up to now is 308.8 secs Computing kpt #: 251 total cpu time spent up to now is 310.2 secs Computing kpt #: 252 total cpu time spent up to now is 311.9 secs Computing kpt #: 253 total cpu time spent up to now is 313.3 secs Computing kpt #: 254 total cpu time spent up to now is 314.6 secs Computing kpt #: 255 total cpu time spent up to now is 316.0 secs Computing kpt #: 256 total cpu time spent up to now is 317.3 secs Computing kpt #: 257 total cpu time spent up to now is 318.7 secs Computing kpt #: 258 total cpu time spent up to now is 320.1 secs Computing kpt #: 259 total cpu time spent up to now is 321.4 secs Computing kpt #: 260 total cpu time spent up to now is 322.8 secs Computing kpt #: 261 total cpu time spent up to now is 324.1 secs Computing kpt #: 262 total cpu time spent up to now is 325.5 secs Computing kpt #: 263 total cpu time spent up to now is 326.9 secs Computing kpt #: 264 total cpu time spent up to now is 328.2 secs Computing kpt #: 265 total cpu time spent up to now is 329.6 secs Computing kpt #: 266 total cpu time spent up to now is 330.9 secs Computing kpt #: 267 total cpu time spent up to now is 332.3 secs Computing kpt #: 268 total cpu time spent up to now is 333.6 secs Computing kpt #: 269 total cpu time spent up to now is 335.0 secs Computing kpt #: 270 total cpu time spent up to now is 336.3 secs Computing kpt #: 271 total cpu time spent up to now is 337.6 secs Computing kpt #: 272 total cpu time spent up to now is 338.9 secs Computing kpt #: 273 total cpu time spent up to now is 340.3 secs Computing kpt #: 274 total cpu time spent up to now is 341.6 secs Computing kpt #: 275 total cpu time spent up to now is 342.9 secs Computing kpt #: 276 total cpu time spent up to now is 344.3 secs Computing kpt #: 277 total cpu time spent up to now is 345.6 secs Computing kpt #: 278 total cpu time spent up to now is 347.1 secs Computing kpt #: 279 total cpu time spent up to now is 348.4 secs Computing kpt #: 280 total cpu time spent up to now is 349.7 secs Computing kpt #: 281 total cpu time spent up to now is 351.0 secs Computing kpt #: 282 total cpu time spent up to now is 352.4 secs Computing kpt #: 283 total cpu time spent up to now is 353.4 secs Computing kpt #: 284 total cpu time spent up to now is 354.5 secs Computing kpt #: 285 total cpu time spent up to now is 355.7 secs Computing kpt #: 286 total cpu time spent up to now is 356.7 secs Computing kpt #: 287 total cpu time spent up to now is 357.8 secs Computing kpt #: 288 total cpu time spent up to now is 358.9 secs Computing kpt #: 289 total cpu time spent up to now is 360.1 secs Computing kpt #: 290 total cpu time spent up to now is 361.2 secs Computing kpt #: 291 total cpu time spent up to now is 362.3 secs Computing kpt #: 292 total cpu time spent up to now is 363.4 secs Computing kpt #: 293 total cpu time spent up to now is 364.5 secs Computing kpt #: 294 total cpu time spent up to now is 365.7 secs Computing kpt #: 295 total cpu time spent up to now is 366.9 secs Computing kpt #: 296 total cpu time spent up to now is 368.0 secs Computing kpt #: 297 total cpu time spent up to now is 369.2 secs Computing kpt #: 298 total cpu time spent up to now is 370.3 secs Computing kpt #: 299 total cpu time spent up to now is 371.5 secs Computing kpt #: 300 total cpu time spent up to now is 372.9 secs Computing kpt #: 301 total cpu time spent up to now is 374.2 secs Computing kpt #: 302 total cpu time spent up to now is 375.5 secs Computing kpt #: 303 total cpu time spent up to now is 376.9 secs Computing kpt #: 304 total cpu time spent up to now is 378.3 secs Computing kpt #: 305 total cpu time spent up to now is 379.7 secs Computing kpt #: 306 total cpu time spent up to now is 382.0 secs Computing kpt #: 307 total cpu time spent up to now is 383.3 secs Computing kpt #: 308 total cpu time spent up to now is 384.7 secs Computing kpt #: 309 total cpu time spent up to now is 386.0 secs Computing kpt #: 310 total cpu time spent up to now is 387.3 secs Computing kpt #: 311 total cpu time spent up to now is 388.7 secs Computing kpt #: 312 total cpu time spent up to now is 390.1 secs Computing kpt #: 313 total cpu time spent up to now is 391.4 secs Computing kpt #: 314 total cpu time spent up to now is 392.7 secs Computing kpt #: 315 total cpu time spent up to now is 394.1 secs Computing kpt #: 316 total cpu time spent up to now is 395.3 secs Computing kpt #: 317 total cpu time spent up to now is 396.7 secs Computing kpt #: 318 total cpu time spent up to now is 398.0 secs Computing kpt #: 319 total cpu time spent up to now is 399.4 secs Computing kpt #: 320 total cpu time spent up to now is 400.7 secs Computing kpt #: 321 total cpu time spent up to now is 402.1 secs Computing kpt #: 322 total cpu time spent up to now is 403.4 secs Computing kpt #: 323 total cpu time spent up to now is 404.7 secs Computing kpt #: 324 total cpu time spent up to now is 406.1 secs Computing kpt #: 325 total cpu time spent up to now is 407.4 secs Computing kpt #: 326 total cpu time spent up to now is 408.4 secs Computing kpt #: 327 total cpu time spent up to now is 409.7 secs Computing kpt #: 328 total cpu time spent up to now is 410.9 secs Computing kpt #: 329 total cpu time spent up to now is 412.1 secs Computing kpt #: 330 total cpu time spent up to now is 413.5 secs Computing kpt #: 331 total cpu time spent up to now is 414.9 secs Computing kpt #: 332 total cpu time spent up to now is 416.6 secs Computing kpt #: 333 total cpu time spent up to now is 417.9 secs Computing kpt #: 334 total cpu time spent up to now is 419.3 secs Computing kpt #: 335 total cpu time spent up to now is 420.6 secs Computing kpt #: 336 total cpu time spent up to now is 421.9 secs Computing kpt #: 337 total cpu time spent up to now is 423.3 secs Computing kpt #: 338 total cpu time spent up to now is 424.6 secs Computing kpt #: 339 total cpu time spent up to now is 426.0 secs Computing kpt #: 340 total cpu time spent up to now is 427.3 secs Computing kpt #: 341 total cpu time spent up to now is 428.7 secs Computing kpt #: 342 total cpu time spent up to now is 430.0 secs Computing kpt #: 343 total cpu time spent up to now is 431.4 secs Computing kpt #: 344 total cpu time spent up to now is 432.7 secs Computing kpt #: 345 total cpu time spent up to now is 434.1 secs Computing kpt #: 346 total cpu time spent up to now is 435.5 secs Computing kpt #: 347 total cpu time spent up to now is 436.7 secs Computing kpt #: 348 total cpu time spent up to now is 438.1 secs ethr = 1.92E-08, avg # of iterations = 20.9 total cpu time spent up to now is 438.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13049 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0694 -23.0694 -11.0442 -11.0442 -10.6072 -10.6072 -8.1386 -8.1386 -7.3114 -7.3114 -6.5047 -6.5047 -6.4286 -6.4286 -4.2347 -4.2347 -4.0015 -4.0015 -3.9007 -3.9007 -3.7295 -3.7295 -3.3720 -3.3720 -3.2429 -3.2429 -2.5024 -2.5024 -2.4127 -2.4127 -2.0798 -2.0798 -1.6325 -1.6325 -1.5378 -1.5378 -1.1885 -1.1885 5.2760 5.2760 5.3370 5.3370 5.7450 5.7450 5.8181 5.8181 5.9719 5.9719 k = 0.0143-0.0000-0.0000 ( 13063 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -11.0438 -11.0438 -10.6071 -10.6071 -8.1381 -8.1381 -7.3117 -7.3117 -6.5045 -6.5045 -6.4284 -6.4284 -4.2364 -4.2364 -4.0075 -4.0075 -3.8957 -3.8957 -3.7291 -3.7291 -3.3716 -3.3716 -3.2429 -3.2429 -2.5023 -2.5023 -2.4130 -2.4130 -2.0806 -2.0806 -1.6337 -1.6337 -1.5375 -1.5375 -1.1885 -1.1885 5.2774 5.2774 5.3377 5.3377 5.7454 5.7454 5.8179 5.8179 5.9731 5.9731 k = 0.0286-0.0000-0.0000 ( 13053 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -11.0426 -11.0426 -10.6071 -10.6071 -8.1366 -8.1366 -7.3124 -7.3124 -6.5041 -6.5041 -6.4280 -6.4280 -4.2415 -4.2415 -4.0231 -4.0231 -3.8830 -3.8830 -3.7278 -3.7278 -3.3705 -3.3705 -3.2432 -3.2432 -2.5022 -2.5022 -2.4138 -2.4138 -2.0830 -2.0830 -1.6372 -1.6372 -1.5366 -1.5366 -1.1887 -1.1887 5.2817 5.2817 5.3396 5.3396 5.7467 5.7467 5.8172 5.8172 5.9768 5.9768 k = 0.0429-0.0000-0.0000 ( 13055 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -11.0406 -11.0406 -10.6070 -10.6070 -8.1340 -8.1340 -7.3136 -7.3136 -6.5034 -6.5034 -6.4272 -6.4272 -4.2498 -4.2498 -4.0441 -4.0441 -3.8667 -3.8667 -3.7257 -3.7257 -3.3688 -3.3688 -3.2435 -3.2435 -2.5021 -2.5021 -2.4152 -2.4152 -2.0869 -2.0869 -1.6431 -1.6431 -1.5352 -1.5352 -1.1889 -1.1889 5.2886 5.2886 5.3428 5.3428 5.7488 5.7488 5.8161 5.8161 5.9829 5.9829 k = 0.0571-0.0000-0.0000 ( 13071 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -11.0378 -11.0378 -10.6069 -10.6069 -8.1305 -8.1305 -7.3154 -7.3154 -6.5024 -6.5024 -6.4262 -6.4262 -4.2612 -4.2612 -4.0682 -4.0682 -3.8490 -3.8490 -3.7227 -3.7227 -3.3665 -3.3665 -3.2440 -3.2440 -2.5019 -2.5019 -2.4172 -2.4172 -2.0923 -2.0923 -1.6513 -1.6513 -1.5331 -1.5331 -1.1892 -1.1892 5.2981 5.2981 5.3472 5.3472 5.7516 5.7516 5.8148 5.8148 5.9913 5.9913 k = 0.0714-0.0000-0.0000 ( 13087 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2508 -23.2508 -23.0758 -23.0758 -23.0743 -23.0743 -23.0699 -23.0699 -23.0695 -23.0695 -11.0342 -11.0342 -10.6068 -10.6068 -8.1260 -8.1260 -7.3176 -7.3176 -6.5012 -6.5012 -6.4249 -6.4249 -4.2754 -4.2754 -4.0943 -4.0943 -3.8311 -3.8311 -3.7189 -3.7189 -3.3637 -3.3637 -3.2447 -3.2447 -2.5018 -2.5018 -2.4197 -2.4197 -2.0992 -2.0992 -1.6617 -1.6617 -1.5305 -1.5305 -1.1896 -1.1896 5.3101 5.3101 5.3530 5.3530 5.7552 5.7552 5.8134 5.8134 6.0019 6.0019 k = 0.0857-0.0000-0.0000 ( 13079 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2508 -23.2508 -23.0758 -23.0758 -23.0743 -23.0743 -23.0699 -23.0699 -23.0695 -23.0695 -11.0299 -11.0299 -10.6067 -10.6067 -8.1205 -8.1205 -7.3204 -7.3204 -6.4997 -6.4997 -6.4234 -6.4234 -4.2922 -4.2922 -4.1219 -4.1219 -3.8133 -3.8133 -3.7142 -3.7142 -3.3607 -3.3607 -3.2455 -3.2455 -2.5017 -2.5017 -2.4228 -2.4228 -2.1074 -2.1074 -1.6743 -1.6743 -1.5273 -1.5273 -1.1902 -1.1902 5.3242 5.3242 5.3600 5.3600 5.7592 5.7592 5.8124 5.8124 6.0148 6.0148 k = 0.1000-0.0000-0.0000 ( 13077 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2508 -23.2508 -23.0758 -23.0758 -23.0743 -23.0743 -23.0699 -23.0699 -23.0696 -23.0696 -11.0248 -11.0248 -10.6066 -10.6066 -8.1140 -8.1140 -7.3237 -7.3237 -6.4980 -6.4980 -6.4217 -6.4217 -4.3112 -4.3112 -4.1506 -4.1506 -3.7958 -3.7958 -3.7088 -3.7088 -3.3577 -3.3577 -3.2463 -3.2463 -2.5018 -2.5018 -2.4265 -2.4265 -2.1170 -2.1170 -1.6889 -1.6889 -1.5236 -1.5236 -1.1908 -1.1908 5.3401 5.3401 5.3684 5.3684 5.7637 5.7637 5.8121 5.8121 6.0296 6.0296 k = 0.1143-0.0000-0.0000 ( 13067 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2508 -23.2508 -23.0758 -23.0758 -23.0743 -23.0743 -23.0699 -23.0699 -23.0696 -23.0696 -11.0189 -11.0189 -10.6065 -10.6065 -8.1065 -8.1065 -7.3275 -7.3275 -6.4961 -6.4961 -6.4197 -6.4197 -4.3321 -4.3321 -4.1801 -4.1801 -3.7788 -3.7788 -3.7025 -3.7025 -3.3546 -3.3546 -3.2474 -3.2474 -2.5020 -2.5020 -2.4309 -2.4309 -2.1278 -2.1278 -1.7055 -1.7055 -1.5193 -1.5193 -1.1915 -1.1915 5.3572 5.3572 5.3779 5.3779 5.7683 5.7683 5.8129 5.8129 6.0463 6.0463 k = 0.1286-0.0000-0.0000 ( 13067 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2508 -23.2508 -23.0758 -23.0758 -23.0743 -23.0743 -23.0699 -23.0699 -23.0696 -23.0696 -11.0124 -11.0124 -10.6065 -10.6065 -8.0981 -8.0981 -7.3319 -7.3319 -6.4940 -6.4940 -6.4177 -6.4177 -4.3546 -4.3546 -4.2103 -4.2103 -3.7623 -3.7623 -3.6955 -3.6955 -3.3518 -3.3518 -3.2485 -3.2485 -2.5026 -2.5026 -2.4358 -2.4358 -2.1397 -2.1397 -1.7240 -1.7240 -1.5145 -1.5145 -1.1923 -1.1923 5.3749 5.3749 5.3888 5.3888 5.7729 5.7729 5.8157 5.8157 6.0646 6.0646 k = 0.1429-0.0000-0.0000 ( 13065 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2508 -23.2508 -23.0758 -23.0758 -23.0744 -23.0744 -23.0700 -23.0700 -23.0696 -23.0696 -11.0051 -11.0051 -10.6066 -10.6066 -8.0888 -8.0888 -7.3369 -7.3369 -6.4917 -6.4917 -6.4154 -6.4154 -4.3784 -4.3784 -4.2409 -4.2409 -3.7464 -3.7464 -3.6876 -3.6876 -3.3492 -3.3492 -3.2497 -3.2497 -2.5034 -2.5034 -2.4413 -2.4413 -2.1526 -2.1526 -1.7442 -1.7442 -1.5091 -1.5091 -1.1933 -1.1933 5.3925 5.3925 5.4009 5.4009 5.7771 5.7771 5.8210 5.8210 6.0844 6.0844 k = 0.1571-0.0000-0.0000 ( 13063 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2509 -23.2509 -23.0758 -23.0758 -23.0744 -23.0744 -23.0700 -23.0700 -23.0696 -23.0696 -10.9972 -10.9972 -10.6068 -10.6068 -8.0786 -8.0786 -7.3424 -7.3424 -6.4892 -6.4892 -6.4131 -6.4131 -4.4030 -4.4030 -4.2719 -4.2719 -3.7309 -3.7309 -3.6791 -3.6791 -3.3472 -3.3472 -3.2510 -3.2510 -2.5045 -2.5045 -2.4474 -2.4474 -2.1664 -2.1664 -1.7660 -1.7660 -1.5033 -1.5033 -1.1943 -1.1943 5.4090 5.4090 5.4143 5.4143 5.7806 5.7806 5.8299 5.8299 6.1054 6.1054 k = 0.1714-0.0000-0.0000 ( 13057 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2509 -23.2509 -23.0758 -23.0758 -23.0744 -23.0744 -23.0700 -23.0700 -23.0696 -23.0696 -10.9887 -10.9887 -10.6071 -10.6071 -8.0676 -8.0676 -7.3485 -7.3485 -6.4866 -6.4866 -6.4108 -6.4108 -4.4283 -4.4283 -4.3030 -4.3030 -3.7159 -3.7159 -3.6698 -3.6698 -3.3456 -3.3456 -3.2524 -3.2524 -2.5061 -2.5061 -2.4541 -2.4541 -2.1809 -2.1809 -1.7893 -1.7893 -1.4970 -1.4970 -1.1955 -1.1955 5.4237 5.4237 5.4290 5.4290 5.7831 5.7831 5.8430 5.8430 6.1274 6.1274 k = 0.1857-0.0000-0.0000 ( 13033 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2509 -23.2509 -23.0758 -23.0758 -23.0744 -23.0744 -23.0700 -23.0700 -23.0696 -23.0696 -10.9796 -10.9796 -10.6076 -10.6076 -8.0557 -8.0557 -7.3553 -7.3553 -6.4839 -6.4839 -6.4084 -6.4084 -4.4540 -4.4540 -4.3341 -4.3341 -3.7013 -3.7013 -3.6599 -3.6599 -3.3446 -3.3446 -3.2538 -3.2538 -2.5081 -2.5081 -2.4612 -2.4612 -2.1960 -2.1960 -1.8140 -1.8140 -1.4902 -1.4902 -1.1969 -1.1969 5.4356 5.4356 5.4449 5.4449 5.7842 5.7842 5.8610 5.8610 6.1499 6.1499 k = 0.2000-0.0000-0.0000 ( 13041 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2509 -23.2509 -23.0758 -23.0758 -23.0745 -23.0745 -23.0700 -23.0700 -23.0696 -23.0696 -10.9699 -10.9699 -10.6083 -10.6083 -8.0429 -8.0429 -7.3626 -7.3626 -6.4810 -6.4810 -6.4061 -6.4061 -4.4797 -4.4797 -4.3651 -4.3651 -3.6872 -3.6872 -3.6493 -3.6493 -3.3443 -3.3443 -3.2554 -3.2554 -2.5105 -2.5105 -2.4689 -2.4689 -2.2115 -2.2115 -1.8397 -1.8397 -1.4831 -1.4831 -1.1984 -1.1984 5.4443 5.4443 5.4620 5.4620 5.7835 5.7835 5.8843 5.8843 6.1727 6.1727 k = 0.2143-0.0000-0.0000 ( 13049 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2510 -23.2510 -23.0758 -23.0758 -23.0746 -23.0746 -23.0700 -23.0700 -23.0697 -23.0697 -10.9597 -10.9597 -10.6093 -10.6093 -8.0294 -8.0294 -7.3706 -7.3706 -6.4781 -6.4781 -6.4039 -6.4039 -4.5052 -4.5052 -4.3957 -4.3957 -3.6735 -3.6735 -3.6380 -3.6380 -3.3447 -3.3447 -3.2570 -3.2570 -2.5133 -2.5133 -2.4769 -2.4769 -2.2274 -2.2274 -1.8665 -1.8665 -1.4755 -1.4755 -1.2001 -1.2001 5.4496 5.4496 5.4803 5.4803 5.7808 5.7808 5.9129 5.9129 6.1953 6.1953 k = 0.2286-0.0000-0.0000 ( 13039 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2510 -23.2510 -23.0758 -23.0758 -23.0746 -23.0746 -23.0700 -23.0700 -23.0697 -23.0697 -10.9490 -10.9490 -10.6105 -10.6105 -8.0152 -8.0152 -7.3792 -7.3792 -6.4751 -6.4751 -6.4018 -6.4018 -4.5303 -4.5303 -4.4258 -4.4258 -3.6603 -3.6603 -3.6262 -3.6262 -3.3458 -3.3458 -3.2587 -3.2587 -2.5166 -2.5166 -2.4852 -2.4852 -2.2434 -2.2434 -1.8941 -1.8941 -1.4675 -1.4675 -1.2019 -1.2019 5.4518 5.4518 5.4999 5.4999 5.7758 5.7758 5.9462 5.9462 6.2173 6.2173 k = 0.2429-0.0000-0.0000 ( 13039 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2511 -23.2511 -23.0759 -23.0759 -23.0746 -23.0746 -23.0700 -23.0700 -23.0697 -23.0697 -10.9379 -10.9379 -10.6120 -10.6120 -8.0002 -8.0002 -7.3885 -7.3885 -6.4721 -6.4721 -6.3998 -6.3998 -4.5548 -4.5548 -4.4553 -4.4553 -3.6474 -3.6474 -3.6138 -3.6138 -3.3477 -3.3477 -3.2606 -3.2606 -2.5202 -2.5202 -2.4939 -2.4939 -2.2593 -2.2593 -1.9224 -1.9224 -1.4592 -1.4592 -1.2040 -1.2040 5.4513 5.4513 5.5206 5.5206 5.7685 5.7685 5.9837 5.9837 6.2382 6.2382 k = 0.2571-0.0000-0.0000 ( 13033 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2511 -23.2511 -23.0758 -23.0758 -23.0747 -23.0747 -23.0701 -23.0701 -23.0697 -23.0697 -10.9263 -10.9263 -10.6138 -10.6138 -7.9846 -7.9846 -7.3985 -7.3985 -6.4690 -6.4690 -6.3981 -6.3981 -4.5785 -4.5785 -4.4841 -4.4841 -3.6348 -3.6348 -3.6009 -3.6009 -3.3502 -3.3502 -3.2626 -3.2626 -2.5243 -2.5243 -2.5026 -2.5026 -2.2750 -2.2750 -1.9512 -1.9512 -1.4506 -1.4506 -1.2063 -1.2063 5.4485 5.4485 5.5425 5.5425 5.7587 5.7587 6.0244 6.0244 6.2574 6.2574 k = 0.2714-0.0000-0.0000 ( 13030 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2511 -23.2511 -23.0758 -23.0758 -23.0748 -23.0748 -23.0701 -23.0701 -23.0697 -23.0697 -10.9144 -10.9144 -10.6160 -10.6160 -7.9683 -7.9683 -7.4091 -7.4091 -6.4659 -6.4659 -6.3966 -6.3966 -4.6012 -4.6012 -4.5119 -4.5119 -3.6226 -3.6226 -3.5876 -3.5876 -3.3534 -3.3534 -3.2647 -3.2647 -2.5286 -2.5286 -2.5114 -2.5114 -2.2904 -2.2904 -1.9803 -1.9803 -1.4418 -1.4418 -1.2089 -1.2089 5.4442 5.4442 5.5656 5.5656 5.7465 5.7465 6.0674 6.0674 6.2744 6.2744 k = 0.2857-0.0000-0.0000 ( 13034 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2512 -23.2512 -23.0758 -23.0758 -23.0748 -23.0748 -23.0701 -23.0701 -23.0698 -23.0698 -10.9022 -10.9022 -10.6186 -10.6186 -7.9514 -7.9514 -7.4204 -7.4204 -6.4628 -6.4628 -6.3954 -6.3954 -4.6229 -4.6229 -4.5388 -4.5388 -3.6108 -3.6108 -3.5738 -3.5738 -3.3573 -3.3573 -3.2670 -3.2670 -2.5333 -2.5333 -2.5202 -2.5202 -2.3052 -2.3052 -2.0096 -2.0096 -1.4327 -1.4327 -1.2118 -1.2118 5.4388 5.4388 5.5897 5.5897 5.7321 5.7321 6.1119 6.1119 6.2885 6.2885 k = 0.3000-0.0000-0.0000 ( 13028 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2512 -23.2512 -23.0758 -23.0758 -23.0749 -23.0749 -23.0701 -23.0701 -23.0698 -23.0698 -10.8898 -10.8898 -10.6216 -10.6216 -7.9340 -7.9340 -7.4323 -7.4323 -6.4597 -6.4597 -6.3944 -6.3944 -4.6433 -4.6433 -4.5645 -4.5645 -3.5993 -3.5993 -3.5597 -3.5597 -3.3619 -3.3619 -3.2696 -3.2696 -2.5382 -2.5382 -2.5289 -2.5289 -2.3194 -2.3194 -2.0388 -2.0388 -1.4234 -1.4234 -1.2149 -1.2149 5.4328 5.4328 5.6149 5.6149 5.7156 5.7156 6.1570 6.1570 6.2992 6.2992 k = 0.3143-0.0000-0.0000 ( 13036 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2513 -23.2513 -23.0758 -23.0758 -23.0749 -23.0749 -23.0701 -23.0701 -23.0698 -23.0698 -10.8771 -10.8771 -10.6250 -10.6250 -7.9161 -7.9161 -7.4450 -7.4450 -6.4565 -6.4565 -6.3938 -6.3938 -4.6624 -4.6624 -4.5889 -4.5889 -3.5881 -3.5881 -3.5453 -3.5453 -3.3670 -3.3670 -3.2725 -3.2725 -2.5432 -2.5432 -2.5373 -2.5373 -2.3326 -2.3326 -2.0679 -2.0679 -1.4140 -1.4140 -1.2183 -1.2183 5.4267 5.4267 5.6412 5.6412 5.6974 5.6974 6.2019 6.2019 6.3060 6.3060 k = 0.3286-0.0000-0.0000 ( 13042 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2513 -23.2513 -23.0759 -23.0759 -23.0750 -23.0750 -23.0701 -23.0701 -23.0699 -23.0699 -10.8643 -10.8643 -10.6289 -10.6289 -7.8978 -7.8978 -7.4582 -7.4582 -6.4534 -6.4534 -6.3936 -6.3936 -4.6800 -4.6800 -4.6120 -4.6120 -3.5773 -3.5773 -3.5306 -3.5306 -3.3727 -3.3727 -3.2757 -3.2757 -2.5483 -2.5483 -2.5454 -2.5454 -2.3448 -2.3448 -2.0966 -2.0966 -1.4045 -1.4045 -1.2220 -1.2220 5.4208 5.4208 5.6685 5.6685 5.6777 5.6777 6.2461 6.2461 6.3084 6.3084 k = 0.3429-0.0000-0.0000 ( 13046 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2514 -23.2514 -23.0759 -23.0759 -23.0751 -23.0751 -23.0701 -23.0701 -23.0699 -23.0699 -10.8514 -10.8514 -10.6334 -10.6334 -7.8790 -7.8790 -7.4722 -7.4722 -6.4502 -6.4502 -6.3937 -6.3937 -4.6962 -4.6962 -4.6337 -4.6337 -3.5667 -3.5667 -3.5158 -3.5158 -3.3788 -3.3788 -3.2793 -3.2793 -2.5535 -2.5535 -2.5531 -2.5531 -2.3557 -2.3557 -2.1248 -2.1248 -1.3948 -1.3948 -1.2261 -1.2261 5.4155 5.4155 5.6570 5.6570 5.6968 5.6968 6.2890 6.2890 6.3062 6.3062 k = 0.3571-0.0000-0.0000 ( 13036 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2514 -23.2514 -23.0758 -23.0758 -23.0751 -23.0751 -23.0701 -23.0701 -23.0699 -23.0699 -10.8385 -10.8385 -10.6383 -10.6383 -7.8599 -7.8599 -7.4867 -7.4867 -6.4470 -6.4470 -6.3941 -6.3941 -4.7108 -4.7108 -4.6540 -4.6540 -3.5564 -3.5564 -3.5008 -3.5008 -3.3854 -3.3854 -3.2834 -3.2834 -2.5602 -2.5602 -2.5586 -2.5586 -2.3652 -2.3652 -2.1523 -2.1523 -1.3852 -1.3852 -1.2305 -1.2305 5.4110 5.4110 5.6355 5.6355 5.7259 5.7259 6.2994 6.2994 6.3302 6.3302 k = 0.3714-0.0000-0.0000 ( 13034 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2514 -23.2514 -23.0758 -23.0758 -23.0752 -23.0752 -23.0701 -23.0701 -23.0699 -23.0699 -10.8255 -10.8255 -10.6438 -10.6438 -7.8405 -7.8405 -7.5019 -7.5019 -6.4439 -6.4439 -6.3950 -6.3950 -4.7239 -4.7239 -4.6726 -4.6726 -3.5464 -3.5464 -3.4858 -3.4858 -3.3924 -3.3924 -3.2880 -3.2880 -2.5668 -2.5668 -2.5637 -2.5637 -2.3731 -2.3731 -2.1790 -2.1790 -1.3755 -1.3755 -1.2353 -1.2353 5.4075 5.4075 5.6137 5.6137 5.7560 5.7560 6.2880 6.2880 6.3696 6.3696 k = 0.3857-0.0000-0.0000 ( 13022 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2514 -23.2514 -23.0758 -23.0758 -23.0752 -23.0752 -23.0701 -23.0701 -23.0699 -23.0699 -10.8126 -10.8126 -10.6498 -10.6498 -7.8209 -7.8209 -7.5177 -7.5177 -6.4407 -6.4407 -6.3961 -6.3961 -4.7353 -4.7353 -4.6897 -4.6897 -3.5367 -3.5367 -3.4708 -3.4708 -3.3997 -3.3997 -3.2932 -3.2932 -2.5727 -2.5727 -2.5685 -2.5685 -2.3794 -2.3794 -2.2047 -2.2047 -1.3659 -1.3659 -1.2404 -1.2404 5.4053 5.4053 5.5918 5.5918 5.7868 5.7868 6.2724 6.2724 6.4069 6.4069 k = 0.4000-0.0000-0.0000 ( 13022 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2515 -23.2515 -23.0758 -23.0758 -23.0753 -23.0753 -23.0701 -23.0701 -23.0700 -23.0700 -10.7998 -10.7998 -10.6563 -10.6563 -7.8011 -7.8011 -7.5341 -7.5341 -6.4374 -6.4374 -6.3976 -6.3976 -4.7451 -4.7451 -4.7052 -4.7052 -3.5271 -3.5271 -3.4559 -3.4559 -3.4073 -3.4073 -3.2991 -3.2991 -2.5780 -2.5780 -2.5731 -2.5731 -2.3838 -2.3838 -2.2292 -2.2292 -1.3564 -1.3564 -1.2459 -1.2459 5.4046 5.4046 5.5702 5.5702 5.8184 5.8184 6.2531 6.2531 6.4423 6.4423 k = 0.4143-0.0000-0.0000 ( 13018 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2515 -23.2515 -23.0758 -23.0758 -23.0753 -23.0753 -23.0701 -23.0701 -23.0700 -23.0700 -10.7872 -10.7872 -10.6634 -10.6634 -7.7811 -7.7811 -7.5510 -7.5510 -6.4342 -6.4342 -6.3994 -6.3994 -4.7532 -4.7532 -4.7190 -4.7190 -3.5178 -3.5178 -3.4412 -3.4412 -3.4151 -3.4151 -3.3056 -3.3056 -2.5824 -2.5824 -2.5773 -2.5773 -2.3862 -2.3862 -2.2524 -2.2524 -1.3469 -1.3469 -1.2517 -1.2517 5.4054 5.4054 5.5491 5.5491 5.8506 5.8506 6.2303 6.2303 6.4758 6.4758 k = 0.4286-0.0000-0.0000 ( 13026 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2516 -23.2516 -23.0758 -23.0758 -23.0754 -23.0754 -23.0701 -23.0701 -23.0700 -23.0700 -10.7748 -10.7748 -10.6711 -10.6711 -7.7611 -7.7611 -7.5684 -7.5684 -6.4310 -6.4310 -6.4015 -6.4015 -4.7596 -4.7596 -4.7311 -4.7311 -3.5087 -3.5087 -3.4268 -3.4268 -3.4231 -3.4231 -3.3130 -3.3130 -2.5861 -2.5861 -2.5812 -2.5812 -2.3867 -2.3867 -2.2741 -2.2741 -1.3376 -1.3376 -1.2579 -1.2579 5.4078 5.4078 5.5289 5.5289 5.8834 5.8834 6.2048 6.2048 6.5074 6.5074 k = 0.4429-0.0000-0.0000 ( 13030 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2516 -23.2516 -23.0758 -23.0758 -23.0754 -23.0754 -23.0701 -23.0701 -23.0700 -23.0700 -10.7626 -10.7626 -10.6793 -10.6793 -7.7410 -7.7410 -7.5863 -7.5863 -6.4277 -6.4277 -6.4038 -6.4038 -4.7643 -4.7643 -4.7416 -4.7416 -3.4997 -3.4997 -3.4313 -3.4313 -3.4127 -3.4127 -3.3211 -3.3211 -2.5890 -2.5890 -2.5846 -2.5846 -2.3849 -2.3849 -2.2942 -2.2942 -1.3285 -1.3285 -1.2645 -1.2645 5.4121 5.4121 5.5098 5.5098 5.9166 5.9166 6.1769 6.1769 6.5375 6.5375 k = 0.4571-0.0000-0.0000 ( 13020 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2516 -23.2516 -23.0757 -23.0757 -23.0755 -23.0755 -23.0701 -23.0701 -23.0700 -23.0700 -10.7508 -10.7508 -10.6881 -10.6881 -7.7210 -7.7210 -7.6046 -7.6046 -6.4245 -6.4245 -6.4064 -6.4064 -4.7674 -4.7674 -4.7503 -4.7503 -3.4908 -3.4908 -3.4395 -3.4395 -3.3991 -3.3991 -3.3300 -3.3300 -2.5911 -2.5911 -2.5875 -2.5875 -2.3810 -2.3810 -2.3126 -2.3126 -1.3195 -1.3195 -1.2714 -1.2714 5.4181 5.4181 5.4918 5.4918 5.9501 5.9501 6.1472 6.1472 6.5662 6.5662 k = 0.4714-0.0000-0.0000 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0757 -23.0757 -23.0755 -23.0755 -23.0701 -23.0701 -23.0700 -23.0700 -10.7392 -10.7392 -10.6974 -10.6974 -7.7011 -7.7011 -7.6233 -7.6233 -6.4213 -6.4213 -6.4091 -6.4091 -4.7688 -4.7688 -4.7574 -4.7574 -3.4821 -3.4821 -3.4479 -3.4479 -3.3859 -3.3859 -3.3397 -3.3397 -2.5923 -2.5923 -2.5899 -2.5899 -2.3750 -2.3750 -2.3291 -2.3291 -1.3108 -1.3108 -1.2787 -1.2787 5.4260 5.4260 5.4754 5.4754 5.9838 5.9838 6.1161 6.1161 6.5936 6.5936 k = 0.4857-0.0000-0.0000 ( 13012 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0756 -23.0756 -23.0755 -23.0755 -23.0701 -23.0701 -23.0700 -23.0700 -10.7281 -10.7281 -10.7071 -10.7071 -7.6813 -7.6813 -7.6423 -7.6423 -6.4181 -6.4181 -6.4120 -6.4120 -4.7685 -4.7685 -4.7628 -4.7628 -3.4734 -3.4734 -3.4563 -3.4563 -3.3733 -3.3733 -3.3502 -3.3502 -2.5928 -2.5928 -2.5915 -2.5915 -2.3667 -2.3667 -2.3437 -2.3437 -1.3023 -1.3023 -1.2863 -1.2863 5.4357 5.4357 5.4604 5.4604 6.0174 6.0174 6.0838 6.0838 6.6201 6.6201 k = 0.5000-0.0000-0.0000 ( 13018 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7174 -10.7174 -10.7174 -10.7174 -7.6617 -7.6617 -7.6617 -7.6617 -6.4150 -6.4150 -6.4150 -6.4150 -4.7665 -4.7665 -4.7665 -4.7665 -3.4648 -3.4648 -3.4648 -3.4648 -3.3614 -3.3614 -3.3614 -3.3614 -2.5925 -2.5925 -2.5925 -2.5925 -2.3562 -2.3562 -2.3562 -2.3562 -1.2942 -1.2942 -1.2942 -1.2942 5.4472 5.4472 5.4472 5.4472 6.0509 6.0509 6.0509 6.0509 6.6457 6.6457 k = 0.5000-0.0000-0.0000 ( 13018 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7174 -10.7174 -10.7174 -10.7174 -7.6617 -7.6617 -7.6617 -7.6617 -6.4150 -6.4150 -6.4150 -6.4150 -4.7665 -4.7665 -4.7665 -4.7665 -3.4648 -3.4648 -3.4648 -3.4648 -3.3614 -3.3614 -3.3614 -3.3614 -2.5925 -2.5925 -2.5925 -2.5925 -2.3562 -2.3562 -2.3562 -2.3562 -1.2942 -1.2942 -1.2942 -1.2942 5.4472 5.4472 5.4472 5.4472 6.0509 6.0509 6.0509 6.0509 6.6457 6.6457 k = 0.5000 0.0141-0.0000 ( 13014 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7173 -10.7173 -10.7173 -10.7173 -7.6616 -7.6616 -7.6616 -7.6616 -6.4157 -6.4157 -6.4157 -6.4157 -4.7665 -4.7665 -4.7665 -4.7665 -3.4636 -3.4636 -3.4636 -3.4636 -3.3625 -3.3625 -3.3625 -3.3625 -2.5929 -2.5929 -2.5929 -2.5929 -2.3553 -2.3553 -2.3553 -2.3553 -1.2939 -1.2939 -1.2939 -1.2939 5.4483 5.4483 5.4483 5.4483 6.0521 6.0521 6.0521 6.0521 6.6449 6.6449 k = 0.5000 0.0281-0.0000 ( 13010 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7170 -10.7170 -10.7170 -10.7170 -7.6613 -7.6613 -7.6613 -7.6613 -6.4178 -6.4178 -6.4178 -6.4178 -4.7667 -4.7667 -4.7667 -4.7667 -3.4599 -3.4599 -3.4599 -3.4599 -3.3655 -3.3655 -3.3655 -3.3655 -2.5942 -2.5942 -2.5942 -2.5942 -2.3525 -2.3525 -2.3525 -2.3525 -1.2931 -1.2931 -1.2931 -1.2931 5.4518 5.4518 5.4518 5.4518 6.0558 6.0558 6.0559 6.0559 6.6427 6.6427 k = 0.5000 0.0422-0.0000 ( 13012 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7166 -10.7166 -10.7165 -10.7165 -7.6609 -7.6609 -7.6609 -7.6609 -6.4212 -6.4212 -6.4212 -6.4212 -4.7669 -4.7669 -4.7669 -4.7669 -3.4539 -3.4539 -3.4539 -3.4539 -3.3706 -3.3706 -3.3706 -3.3706 -2.5961 -2.5961 -2.5961 -2.5961 -2.3480 -2.3480 -2.3480 -2.3480 -1.2918 -1.2918 -1.2918 -1.2918 5.4576 5.4576 5.4576 5.4576 6.0620 6.0620 6.0620 6.0620 6.6389 6.6389 k = 0.5000 0.0562-0.0000 ( 13008 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7159 -10.7159 -10.7159 -10.7159 -7.6603 -7.6603 -7.6603 -7.6603 -6.4260 -6.4260 -6.4260 -6.4260 -4.7672 -4.7672 -4.7672 -4.7672 -3.4457 -3.4457 -3.4457 -3.4457 -3.3775 -3.3775 -3.3775 -3.3775 -2.5988 -2.5988 -2.5988 -2.5988 -2.3417 -2.3417 -2.3417 -2.3417 -1.2899 -1.2899 -1.2899 -1.2899 5.4656 5.4656 5.4656 5.4656 6.0705 6.0705 6.0706 6.0706 6.6338 6.6338 k = 0.5000 0.0703-0.0000 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7151 -10.7151 -10.7151 -10.7151 -7.6595 -7.6595 -7.6595 -7.6595 -6.4320 -6.4320 -6.4320 -6.4320 -4.7675 -4.7675 -4.7675 -4.7675 -3.4356 -3.4356 -3.4355 -3.4355 -3.3861 -3.3861 -3.3861 -3.3861 -2.6021 -2.6021 -2.6021 -2.6021 -2.3339 -2.3339 -2.3339 -2.3339 -1.2876 -1.2876 -1.2876 -1.2876 5.4757 5.4757 5.4757 5.4757 6.0812 6.0812 6.0813 6.0813 6.6273 6.6273 k = 0.5000 0.0844-0.0000 ( 13012 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7141 -10.7141 -10.7141 -10.7141 -7.6586 -7.6586 -7.6586 -7.6586 -6.4392 -6.4392 -6.4391 -6.4391 -4.7677 -4.7677 -4.7677 -4.7677 -3.4236 -3.4236 -3.4236 -3.4236 -3.3963 -3.3963 -3.3963 -3.3963 -2.6059 -2.6059 -2.6058 -2.6058 -2.3248 -2.3248 -2.3248 -2.3248 -1.2849 -1.2849 -1.2849 -1.2849 5.4877 5.4877 5.4877 5.4877 6.0939 6.0939 6.0940 6.0940 6.6195 6.6195 k = 0.5000 0.0984-0.0000 ( 13006 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7130 -10.7130 -10.7130 -10.7130 -7.6575 -7.6575 -7.6575 -7.6575 -6.4474 -6.4474 -6.4473 -6.4473 -4.7679 -4.7679 -4.7679 -4.7679 -3.4103 -3.4103 -3.4102 -3.4102 -3.4077 -3.4077 -3.4077 -3.4077 -2.6100 -2.6100 -2.6099 -2.6099 -2.3145 -2.3145 -2.3145 -2.3145 -1.2817 -1.2817 -1.2817 -1.2817 5.5015 5.5015 5.5016 5.5016 6.1085 6.1085 6.1085 6.1085 6.6104 6.6104 k = 0.5000 0.1125-0.0000 ( 13010 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7117 -10.7117 -10.7117 -10.7117 -7.6563 -7.6563 -7.6563 -7.6563 -6.4565 -6.4565 -6.4565 -6.4565 -4.7679 -4.7679 -4.7679 -4.7679 -3.4203 -3.4203 -3.4203 -3.4203 -3.3957 -3.3957 -3.3957 -3.3957 -2.6143 -2.6143 -2.6142 -2.6142 -2.3032 -2.3032 -2.3032 -2.3032 -1.2782 -1.2782 -1.2782 -1.2782 5.5170 5.5170 5.5170 5.5170 6.1245 6.1245 6.1246 6.1246 6.6002 6.6002 k = 0.5000 0.1266-0.0000 ( 13022 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7103 -10.7103 -10.7103 -10.7103 -7.6550 -7.6550 -7.6550 -7.6550 -6.4665 -6.4665 -6.4664 -6.4664 -4.7677 -4.7677 -4.7677 -4.7677 -3.4338 -3.4338 -3.4338 -3.4338 -3.3804 -3.3804 -3.3804 -3.3804 -2.6186 -2.6186 -2.6186 -2.6186 -2.2912 -2.2912 -2.2912 -2.2912 -1.2743 -1.2743 -1.2743 -1.2743 5.5338 5.5338 5.5338 5.5338 6.1419 6.1419 6.1420 6.1420 6.5890 6.5890 k = 0.5000 0.1406-0.0000 ( 13030 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7088 -10.7088 -10.7088 -10.7088 -7.6536 -7.6536 -7.6536 -7.6536 -6.4771 -6.4771 -6.4770 -6.4770 -4.7672 -4.7672 -4.7672 -4.7672 -3.4480 -3.4480 -3.4480 -3.4480 -3.3646 -3.3646 -3.3646 -3.3646 -2.6228 -2.6228 -2.6228 -2.6228 -2.2786 -2.2786 -2.2786 -2.2786 -1.2701 -1.2701 -1.2701 -1.2701 5.5518 5.5518 5.5518 5.5518 6.1602 6.1602 6.1602 6.1602 6.5766 6.5766 k = 0.5000 0.1547-0.0000 ( 13030 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7072 -10.7072 -10.7072 -10.7072 -7.6521 -7.6521 -7.6521 -7.6521 -6.4883 -6.4883 -6.4882 -6.4882 -4.7666 -4.7666 -4.7665 -4.7665 -3.4626 -3.4626 -3.4626 -3.4626 -3.3488 -3.3488 -3.3487 -3.3487 -2.6267 -2.6267 -2.6266 -2.6266 -2.2656 -2.2656 -2.2656 -2.2656 -1.2657 -1.2657 -1.2657 -1.2657 5.5708 5.5708 5.5708 5.5708 6.1790 6.1790 6.1791 6.1791 6.5632 6.5633 k = 0.5000 0.1687-0.0000 ( 13038 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7056 -10.7056 -10.7056 -10.7056 -7.6506 -7.6506 -7.6506 -7.6506 -6.4998 -6.4998 -6.4998 -6.4998 -4.7656 -4.7656 -4.7656 -4.7656 -3.4775 -3.4775 -3.4775 -3.4775 -3.3331 -3.3331 -3.3331 -3.3331 -2.6300 -2.6300 -2.6300 -2.6300 -2.2524 -2.2524 -2.2524 -2.2524 -1.2612 -1.2612 -1.2612 -1.2612 5.5904 5.5904 5.5904 5.5904 6.1981 6.1981 6.1982 6.1982 6.5488 6.5488 k = 0.5000 0.1828-0.0000 ( 13054 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7039 -10.7039 -10.7039 -10.7039 -7.6490 -7.6490 -7.6490 -7.6490 -6.5116 -6.5116 -6.5115 -6.5115 -4.7644 -4.7644 -4.7644 -4.7644 -3.4925 -3.4925 -3.4925 -3.4925 -3.3181 -3.3181 -3.3180 -3.3180 -2.6327 -2.6327 -2.6327 -2.6327 -2.2392 -2.2392 -2.2392 -2.2392 -1.2565 -1.2565 -1.2565 -1.2565 5.6105 5.6105 5.6106 5.6106 6.2170 6.2170 6.2171 6.2171 6.5333 6.5334 k = 0.5000 0.1969-0.0000 ( 13050 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7022 -10.7022 -10.7021 -10.7021 -7.6474 -7.6474 -7.6474 -7.6474 -6.5235 -6.5235 -6.5234 -6.5234 -4.7629 -4.7629 -4.7629 -4.7629 -3.5073 -3.5073 -3.5073 -3.5073 -3.3039 -3.3039 -3.3038 -3.3038 -2.6346 -2.6346 -2.6346 -2.6346 -2.2261 -2.2261 -2.2261 -2.2261 -1.2517 -1.2517 -1.2517 -1.2517 5.6309 5.6309 5.6309 5.6309 6.2355 6.2355 6.2356 6.2356 6.5168 6.5168 k = 0.5000 0.2109-0.0000 ( 13050 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7004 -10.7004 -10.7004 -10.7004 -7.6457 -7.6457 -7.6457 -7.6457 -6.5353 -6.5353 -6.5352 -6.5352 -4.7612 -4.7612 -4.7612 -4.7612 -3.5219 -3.5219 -3.5219 -3.5219 -3.2908 -3.2908 -3.2907 -3.2907 -2.6357 -2.6357 -2.6356 -2.6356 -2.2133 -2.2133 -2.2133 -2.2133 -1.2469 -1.2469 -1.2469 -1.2469 5.6513 5.6513 5.6513 5.6513 6.2531 6.2531 6.2531 6.2531 6.4991 6.4991 k = 0.5000 0.2250-0.0000 ( 13018 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.6987 -10.6987 -10.6987 -10.6987 -7.6441 -7.6441 -7.6441 -7.6441 -6.5468 -6.5468 -6.5467 -6.5467 -4.7593 -4.7593 -4.7593 -4.7593 -3.5360 -3.5360 -3.5360 -3.5360 -3.2789 -3.2789 -3.2789 -3.2789 -2.6358 -2.6358 -2.6357 -2.6357 -2.2010 -2.2010 -2.2010 -2.2010 -1.2422 -1.2422 -1.2422 -1.2422 5.6715 5.6715 5.6715 5.6715 6.2695 6.2695 6.2696 6.2696 6.4803 6.4803 k = 0.5000 0.2390-0.0000 ( 13020 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.6971 -10.6971 -10.6970 -10.6970 -7.6426 -7.6426 -7.6426 -7.6426 -6.5580 -6.5580 -6.5580 -6.5580 -4.7573 -4.7573 -4.7573 -4.7573 -3.5495 -3.5495 -3.5495 -3.5495 -3.2685 -3.2685 -3.2684 -3.2684 -2.6350 -2.6350 -2.6349 -2.6349 -2.1892 -2.1892 -2.1892 -2.1892 -1.2376 -1.2376 -1.2376 -1.2376 5.6913 5.6913 5.6913 5.6913 6.2846 6.2846 6.2847 6.2847 6.4605 6.4605 k = 0.5000 0.2531-0.0000 ( 13032 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.6955 -10.6955 -10.6954 -10.6954 -7.6411 -7.6411 -7.6411 -7.6411 -6.5688 -6.5688 -6.5687 -6.5687 -4.7551 -4.7551 -4.7551 -4.7551 -3.5622 -3.5622 -3.5622 -3.5622 -3.2595 -3.2595 -3.2595 -3.2595 -2.6334 -2.6334 -2.6333 -2.6333 -2.1782 -2.1782 -2.1781 -2.1781 -1.2331 -1.2331 -1.2331 -1.2331 5.7106 5.7106 5.7106 5.7106 6.2982 6.2982 6.2982 6.2982 6.4397 6.4397 k = 0.5000 0.2672-0.0000 ( 13042 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.6939 -10.6939 -10.6939 -10.6939 -7.6396 -7.6396 -7.6396 -7.6396 -6.5789 -6.5789 -6.5788 -6.5788 -4.7529 -4.7529 -4.7529 -4.7529 -3.5741 -3.5741 -3.5741 -3.5741 -3.2519 -3.2519 -3.2519 -3.2519 -2.6310 -2.6310 -2.6310 -2.6310 -2.1678 -2.1678 -2.1678 -2.1678 -1.2288 -1.2288 -1.2288 -1.2288 5.7291 5.7291 5.7292 5.7292 6.3101 6.3101 6.3102 6.3102 6.4183 6.4183 k = 0.5000 0.2812-0.0000 ( 13054 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0757 -23.0757 -23.0757 -23.0757 -23.0701 -23.0701 -23.0701 -23.0701 -10.6925 -10.6925 -10.6925 -10.6925 -7.6383 -7.6383 -7.6383 -7.6383 -6.5883 -6.5883 -6.5882 -6.5882 -4.7507 -4.7507 -4.7507 -4.7507 -3.5851 -3.5851 -3.5851 -3.5851 -3.2458 -3.2458 -3.2457 -3.2457 -2.6281 -2.6281 -2.6281 -2.6281 -2.1584 -2.1584 -2.1584 -2.1584 -1.2249 -1.2249 -1.2248 -1.2248 5.7469 5.7469 5.7469 5.7469 6.3204 6.3204 6.3205 6.3205 6.3966 6.3967 k = 0.5000 0.2953-0.0000 ( 13066 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0757 -23.0757 -23.0757 -23.0757 -23.0702 -23.0702 -23.0702 -23.0702 -10.6912 -10.6912 -10.6912 -10.6912 -7.6371 -7.6371 -7.6371 -7.6371 -6.5968 -6.5968 -6.5967 -6.5967 -4.7486 -4.7486 -4.7486 -4.7486 -3.5950 -3.5950 -3.5950 -3.5950 -3.2408 -3.2408 -3.2408 -3.2408 -2.6249 -2.6249 -2.6248 -2.6248 -2.1498 -2.1498 -2.1498 -2.1498 -1.2212 -1.2212 -1.2212 -1.2212 5.7636 5.7636 5.7636 5.7636 6.3291 6.3291 6.3292 6.3292 6.3751 6.3752 k = 0.5000 0.3093-0.0000 ( 13076 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0757 -23.0757 -23.0757 -23.0757 -23.0702 -23.0702 -23.0702 -23.0702 -10.6900 -10.6900 -10.6900 -10.6900 -7.6360 -7.6360 -7.6360 -7.6360 -6.6044 -6.6044 -6.6043 -6.6043 -4.7466 -4.7466 -4.7466 -4.7466 -3.6037 -3.6037 -3.6037 -3.6037 -3.2370 -3.2370 -3.2370 -3.2370 -2.6215 -2.6215 -2.6214 -2.6214 -2.1423 -2.1423 -2.1423 -2.1423 -1.2179 -1.2179 -1.2179 -1.2179 5.7790 5.7790 5.7791 5.7791 6.3363 6.3363 6.3364 6.3364 6.3543 6.3543 k = 0.5000 0.3234-0.0000 ( 13078 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0757 -23.0757 -23.0757 -23.0757 -23.0702 -23.0702 -23.0702 -23.0702 -10.6890 -10.6890 -10.6890 -10.6890 -7.6350 -7.6350 -7.6350 -7.6350 -6.6109 -6.6109 -6.6109 -6.6109 -4.7448 -4.7448 -4.7448 -4.7448 -3.6112 -3.6112 -3.6112 -3.6112 -3.2341 -3.2341 -3.2341 -3.2341 -2.6181 -2.6181 -2.6181 -2.6181 -2.1358 -2.1358 -2.1358 -2.1358 -1.2150 -1.2150 -1.2150 -1.2150 5.7930 5.7930 5.7930 5.7930 6.3348 6.3348 6.3349 6.3349 6.3423 6.3423 k = 0.5000 0.3375-0.0000 ( 13090 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0757 -23.0757 -23.0757 -23.0757 -23.0702 -23.0702 -23.0702 -23.0702 -10.6882 -10.6882 -10.6882 -10.6882 -7.6342 -7.6342 -7.6342 -7.6342 -6.6164 -6.6164 -6.6164 -6.6164 -4.7433 -4.7433 -4.7433 -4.7433 -3.6174 -3.6174 -3.6174 -3.6174 -3.2320 -3.2320 -3.2320 -3.2320 -2.6150 -2.6150 -2.6150 -2.6150 -2.1305 -2.1305 -2.1305 -2.1305 -1.2126 -1.2126 -1.2126 -1.2126 5.8052 5.8052 5.8052 5.8052 6.3175 6.3175 6.3176 6.3176 6.3467 6.3467 k = 0.5000 0.3515-0.0000 ( 13098 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2519 -23.2519 -23.0757 -23.0757 -23.0757 -23.0757 -23.0702 -23.0702 -23.0702 -23.0702 -10.6875 -10.6875 -10.6875 -10.6875 -7.6336 -7.6336 -7.6336 -7.6336 -6.6207 -6.6207 -6.6207 -6.6207 -4.7420 -4.7420 -4.7420 -4.7420 -3.6223 -3.6223 -3.6223 -3.6223 -3.2306 -3.2306 -3.2306 -3.2306 -2.6124 -2.6124 -2.6124 -2.6124 -2.1263 -2.1263 -2.1263 -2.1263 -1.2107 -1.2107 -1.2107 -1.2107 5.8152 5.8152 5.8152 5.8152 6.3030 6.3030 6.3031 6.3031 6.3501 6.3501 k = 0.5000 0.3656-0.0000 ( 13090 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0757 -23.0757 -23.0757 -23.0757 -23.0702 -23.0702 -23.0702 -23.0702 -10.6870 -10.6870 -10.6870 -10.6870 -7.6331 -7.6331 -7.6331 -7.6331 -6.6239 -6.6239 -6.6238 -6.6238 -4.7411 -4.7411 -4.7411 -4.7411 -3.6259 -3.6259 -3.6259 -3.6259 -3.2296 -3.2296 -3.2296 -3.2296 -2.6105 -2.6105 -2.6105 -2.6105 -2.1233 -2.1233 -2.1233 -2.1233 -1.2094 -1.2094 -1.2093 -1.2093 5.8228 5.8228 5.8228 5.8228 6.2921 6.2921 6.2921 6.2921 6.3524 6.3524 k = 0.5000 0.3797-0.0000 ( 13090 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0757 -23.0757 -23.0757 -23.0757 -23.0702 -23.0702 -23.0702 -23.0702 -10.6867 -10.6867 -10.6867 -10.6867 -7.6329 -7.6329 -7.6329 -7.6329 -6.6257 -6.6257 -6.6257 -6.6257 -4.7406 -4.7406 -4.7406 -4.7406 -3.6280 -3.6280 -3.6280 -3.6280 -3.2291 -3.2291 -3.2291 -3.2291 -2.6092 -2.6092 -2.6092 -2.6092 -2.1214 -2.1214 -2.1214 -2.1214 -1.2085 -1.2085 -1.2085 -1.2085 5.8275 5.8275 5.8275 5.8275 6.2852 6.2852 6.2852 6.2852 6.3538 6.3538 k = 0.5000 0.3937-0.0000 ( 13096 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2519 -23.2519 -23.0757 -23.0757 -23.0757 -23.0757 -23.0702 -23.0702 -23.0702 -23.0702 -10.6866 -10.6866 -10.6866 -10.6866 -7.6328 -7.6328 -7.6328 -7.6328 -6.6264 -6.6264 -6.6264 -6.6264 -4.7404 -4.7404 -4.7404 -4.7404 -3.6287 -3.6287 -3.6287 -3.6287 -3.2289 -3.2289 -3.2289 -3.2289 -2.6088 -2.6088 -2.6088 -2.6088 -2.1208 -2.1208 -2.1208 -2.1208 -1.2082 -1.2082 -1.2082 -1.2082 5.8291 5.8291 5.8291 5.8291 6.2829 6.2829 6.2829 6.2829 6.3542 6.3542 k = 0.5000 0.3937-0.0000 ( 13096 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2519 -23.2519 -23.0757 -23.0757 -23.0757 -23.0757 -23.0702 -23.0702 -23.0702 -23.0702 -10.6866 -10.6866 -10.6866 -10.6866 -7.6328 -7.6328 -7.6328 -7.6328 -6.6264 -6.6264 -6.6264 -6.6264 -4.7404 -4.7404 -4.7404 -4.7404 -3.6287 -3.6287 -3.6287 -3.6287 -3.2289 -3.2289 -3.2289 -3.2289 -2.6088 -2.6088 -2.6088 -2.6088 -2.1208 -2.1208 -2.1208 -2.1208 -1.2082 -1.2082 -1.2082 -1.2082 5.8291 5.8291 5.8291 5.8291 6.2829 6.2829 6.2829 6.2829 6.3542 6.3542 k = 0.4857 0.3937-0.0000 ( 13096 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0757 -23.0757 -23.0757 -23.0757 -23.0702 -23.0702 -23.0702 -23.0702 -10.6947 -10.6947 -10.6789 -10.6789 -7.6437 -7.6437 -7.6223 -7.6223 -6.6439 -6.6439 -6.6091 -6.6091 -4.7446 -4.7446 -4.7344 -4.7344 -3.6502 -3.6502 -3.6063 -3.6063 -3.2324 -3.2324 -3.2253 -3.2253 -2.6121 -2.6121 -2.6046 -2.6046 -2.1305 -2.1305 -2.1106 -2.1106 -1.2183 -1.2183 -1.1985 -1.1985 5.8216 5.8216 5.8281 5.8281 6.2738 6.2738 6.2967 6.2967 6.3341 6.3341 k = 0.4714 0.3937-0.0000 ( 13086 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0758 -23.0758 -23.0756 -23.0756 -23.0702 -23.0702 -23.0702 -23.0702 -10.7033 -10.7033 -10.6716 -10.6716 -7.6550 -7.6550 -7.6123 -7.6123 -6.6616 -6.6616 -6.5923 -6.5923 -4.7470 -4.7470 -4.7267 -4.7267 -3.6708 -3.6708 -3.5831 -3.5831 -3.2354 -3.2354 -3.2215 -3.2215 -2.6145 -2.6145 -2.5995 -2.5995 -2.1395 -2.1395 -2.0998 -2.0998 -1.2287 -1.2287 -1.1892 -1.1892 5.8067 5.8067 5.8185 5.8185 6.2696 6.2696 6.3135 6.3135 6.3149 6.3149 k = 0.4571 0.3937-0.0000 ( 13094 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0758 -23.0758 -23.0756 -23.0756 -23.0702 -23.0702 -23.0702 -23.0702 -10.7122 -10.7122 -10.6649 -10.6649 -7.6668 -7.6668 -7.6028 -7.6028 -6.6795 -6.6795 -6.5758 -6.5758 -4.7475 -4.7475 -4.7174 -4.7174 -3.6904 -3.6904 -3.5591 -3.5591 -3.2381 -3.2381 -3.2177 -3.2177 -2.6160 -2.6160 -2.5934 -2.5934 -2.1479 -2.1479 -2.0885 -2.0885 -1.2393 -1.2393 -1.1803 -1.1803 5.7855 5.7855 5.8009 5.8009 6.2698 6.2698 6.2950 6.2950 6.3338 6.3338 k = 0.4429 0.3937-0.0000 ( 13086 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2517 -23.2517 -23.0758 -23.0758 -23.0755 -23.0755 -23.0702 -23.0702 -23.0701 -23.0701 -10.7214 -10.7214 -10.6586 -10.6586 -7.6788 -7.6788 -7.5938 -7.5938 -6.6975 -6.6975 -6.5597 -6.5597 -4.7461 -4.7461 -4.7064 -4.7064 -3.7089 -3.7089 -3.5345 -3.5345 -3.2403 -3.2403 -3.2140 -3.2140 -2.6166 -2.6166 -2.5863 -2.5863 -2.1555 -2.1555 -2.0767 -2.0767 -1.2503 -1.2503 -1.1718 -1.1718 5.7593 5.7593 5.7764 5.7764 6.2732 6.2732 6.2761 6.2761 6.3544 6.3544 k = 0.4286 0.3937-0.0000 ( 13082 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2517 -23.2517 -23.0758 -23.0758 -23.0755 -23.0755 -23.0702 -23.0702 -23.0701 -23.0701 -10.7310 -10.7310 -10.6527 -10.6527 -7.6911 -7.6911 -7.5854 -7.5854 -6.7156 -6.7156 -6.5441 -6.5441 -4.7429 -4.7429 -4.6939 -4.6939 -3.7264 -3.7264 -3.5093 -3.5093 -3.2420 -3.2420 -3.2105 -3.2105 -2.6164 -2.6164 -2.5783 -2.5783 -2.1624 -2.1624 -2.0645 -2.0645 -1.2614 -1.2614 -1.1637 -1.1637 5.7293 5.7293 5.7466 5.7466 6.2575 6.2575 6.2784 6.2784 6.3743 6.3743 k = 0.4143 0.3937-0.0000 ( 13060 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2516 -23.2516 -23.0758 -23.0758 -23.0754 -23.0754 -23.0702 -23.0702 -23.0701 -23.0701 -10.7408 -10.7408 -10.6474 -10.6474 -7.7037 -7.7037 -7.5775 -7.5775 -6.7337 -6.7337 -6.5291 -6.5291 -4.7377 -4.7377 -4.6799 -4.6799 -3.7428 -3.7428 -3.4838 -3.4838 -3.2432 -3.2432 -3.2074 -3.2074 -2.6153 -2.6153 -2.5694 -2.5694 -2.1685 -2.1685 -2.0519 -2.0519 -1.2727 -1.2727 -1.1561 -1.1561 5.6964 5.6964 5.7127 5.7127 6.2392 6.2392 6.2840 6.2840 6.3924 6.3924 k = 0.4000 0.3937-0.0000 ( 13046 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2516 -23.2516 -23.0758 -23.0758 -23.0753 -23.0753 -23.0702 -23.0702 -23.0701 -23.0701 -10.7508 -10.7508 -10.6426 -10.6426 -7.7165 -7.7165 -7.5703 -7.5703 -6.7519 -6.7519 -6.5147 -6.5147 -4.7305 -4.7305 -4.6645 -4.6645 -3.7581 -3.7581 -3.4579 -3.4579 -3.2439 -3.2439 -3.2047 -3.2047 -2.6135 -2.6135 -2.5595 -2.5595 -2.1738 -2.1738 -2.0389 -2.0389 -1.2842 -1.2842 -1.1489 -1.1489 5.6614 5.6614 5.6759 5.6759 6.2212 6.2212 6.2886 6.2886 6.4076 6.4076 k = 0.3857 0.3937-0.0000 ( 13044 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2515 -23.2515 -23.0758 -23.0758 -23.0753 -23.0753 -23.0702 -23.0702 -23.0700 -23.0700 -10.7611 -10.7611 -10.6382 -10.6382 -7.7294 -7.7294 -7.5636 -7.5636 -6.7699 -6.7699 -6.5008 -6.5008 -4.7214 -4.7214 -4.6476 -4.6476 -3.7722 -3.7722 -3.4319 -3.4319 -3.2441 -3.2441 -3.2026 -3.2026 -2.6109 -2.6109 -2.5489 -2.5489 -2.1781 -2.1781 -2.0256 -2.0256 -1.2958 -1.2958 -1.1422 -1.1422 5.6249 5.6249 5.6373 5.6373 6.2034 6.2034 6.2914 6.2914 6.4191 6.4191 k = 0.3714 0.3937-0.0000 ( 13036 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2515 -23.2515 -23.0758 -23.0758 -23.0752 -23.0752 -23.0702 -23.0702 -23.0700 -23.0700 -10.7715 -10.7715 -10.6343 -10.6343 -7.7424 -7.7424 -7.5574 -7.5574 -6.7878 -6.7878 -6.4877 -6.4877 -4.7103 -4.7103 -4.6295 -4.6295 -3.7853 -3.7853 -3.4058 -3.4058 -3.2439 -3.2439 -3.2011 -3.2011 -2.6075 -2.6075 -2.5374 -2.5374 -2.1816 -2.1816 -2.0120 -2.0120 -1.3074 -1.3074 -1.1360 -1.1360 5.5875 5.5875 5.5976 5.5976 6.1859 6.1859 6.2916 6.2916 6.4262 6.4262 k = 0.3571 0.3937-0.0000 ( 13032 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2514 -23.2514 -23.0758 -23.0758 -23.0751 -23.0751 -23.0702 -23.0702 -23.0700 -23.0700 -10.7819 -10.7819 -10.6309 -10.6309 -7.7554 -7.7554 -7.5518 -7.5518 -6.8056 -6.8056 -6.4753 -6.4753 -4.6974 -4.6974 -4.6100 -4.6100 -3.7974 -3.7974 -3.3799 -3.3799 -3.2433 -3.2433 -3.2003 -3.2003 -2.6033 -2.6033 -2.5253 -2.5253 -2.1841 -2.1841 -1.9981 -1.9981 -1.3190 -1.3190 -1.1302 -1.1302 5.5496 5.5496 5.5576 5.5576 6.1686 6.1686 6.2887 6.2887 6.4283 6.4283 k = 0.3429 0.3937-0.0000 ( 13034 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2514 -23.2514 -23.0758 -23.0758 -23.0751 -23.0751 -23.0702 -23.0702 -23.0700 -23.0700 -10.7925 -10.7925 -10.6280 -10.6280 -7.7684 -7.7684 -7.5468 -7.5468 -6.8232 -6.8232 -6.4636 -6.4636 -4.6826 -4.6826 -4.5894 -4.5894 -3.8084 -3.8084 -3.3542 -3.3542 -3.2424 -3.2424 -3.2002 -3.2002 -2.5985 -2.5985 -2.5125 -2.5125 -2.1856 -2.1856 -1.9841 -1.9841 -1.3307 -1.3307 -1.1249 -1.1249 5.5117 5.5117 5.5176 5.5176 6.1514 6.1514 6.2821 6.2821 6.4252 6.4252 k = 0.3286 0.3937-0.0000 ( 13038 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2520 -23.2520 -23.2513 -23.2513 -23.0759 -23.0759 -23.0750 -23.0750 -23.0702 -23.0702 -23.0699 -23.0699 -10.8030 -10.8030 -10.6255 -10.6255 -7.7813 -7.7813 -7.5424 -7.5424 -6.8405 -6.8405 -6.4526 -6.4526 -4.6660 -4.6660 -4.5676 -4.5676 -3.8184 -3.8184 -3.3290 -3.3290 -3.2412 -3.2412 -3.2010 -3.2010 -2.5929 -2.5929 -2.4994 -2.4994 -2.1861 -2.1861 -1.9699 -1.9699 -1.3422 -1.3422 -1.1201 -1.1201 5.4740 5.4740 5.4784 5.4784 6.1345 6.1345 6.2717 6.2717 6.4166 6.4166 k = 0.3143 0.3937-0.0000 ( 13018 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2512 -23.2512 -23.0758 -23.0758 -23.0749 -23.0749 -23.0701 -23.0701 -23.0699 -23.0699 -10.8135 -10.8135 -10.6233 -10.6233 -7.7942 -7.7942 -7.5384 -7.5384 -6.8575 -6.8575 -6.4424 -6.4424 -4.6476 -4.6476 -4.5448 -4.5448 -3.8274 -3.8274 -3.3042 -3.3042 -3.2400 -3.2400 -3.2027 -3.2027 -2.5867 -2.5867 -2.4858 -2.4858 -2.1856 -2.1856 -1.9556 -1.9556 -1.3537 -1.3537 -1.1157 -1.1157 5.4368 5.4368 5.4401 5.4401 6.1178 6.1178 6.2573 6.2573 6.4026 6.4026 k = 0.3000 0.3937-0.0000 ( 13022 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2512 -23.2512 -23.0758 -23.0758 -23.0749 -23.0749 -23.0701 -23.0701 -23.0699 -23.0699 -10.8240 -10.8240 -10.6216 -10.6216 -7.8068 -7.8068 -7.5350 -7.5350 -6.8742 -6.8742 -6.4330 -6.4330 -4.6276 -4.6276 -4.5211 -4.5211 -3.8355 -3.8355 -3.2802 -3.2802 -3.2387 -3.2387 -3.2052 -3.2052 -2.5798 -2.5798 -2.4721 -2.4721 -2.1840 -2.1840 -1.9413 -1.9413 -1.3650 -1.3650 -1.1116 -1.1116 5.4006 5.4006 5.4032 5.4032 6.1013 6.1013 6.2390 6.2390 6.3835 6.3835 k = 0.2857 0.3937-0.0000 ( 13022 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2512 -23.2512 -23.0758 -23.0758 -23.0748 -23.0748 -23.0701 -23.0701 -23.0699 -23.0699 -10.8342 -10.8342 -10.6203 -10.6203 -7.8192 -7.8192 -7.5320 -7.5320 -6.8904 -6.8904 -6.4244 -6.4244 -4.6061 -4.6061 -4.4965 -4.4965 -3.8427 -3.8427 -3.2570 -3.2570 -3.2375 -3.2375 -3.2086 -3.2086 -2.5723 -2.5723 -2.4583 -2.4583 -2.1814 -2.1814 -1.9270 -1.9270 -1.3761 -1.3761 -1.1080 -1.1080 5.3655 5.3655 5.3679 5.3679 6.0851 6.0851 6.2167 6.2167 6.3595 6.3595 k = 0.2714 0.3937-0.0000 ( 13028 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2511 -23.2511 -23.0758 -23.0758 -23.0748 -23.0748 -23.0701 -23.0701 -23.0698 -23.0698 -10.8444 -10.8444 -10.6192 -10.6192 -7.8314 -7.8314 -7.5295 -7.5295 -6.9062 -6.9062 -6.4165 -6.4165 -4.5832 -4.5832 -4.4712 -4.4712 -3.8491 -3.8491 -3.2365 -3.2365 -3.2347 -3.2347 -3.2128 -3.2128 -2.5644 -2.5644 -2.4445 -2.4445 -2.1778 -2.1778 -1.9127 -1.9127 -1.3870 -1.3870 -1.1048 -1.1048 5.3318 5.3318 5.3347 5.3347 6.0692 6.0692 6.1908 6.1908 6.3312 6.3312 k = 0.2571 0.3937-0.0000 ( 13032 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2511 -23.2511 -23.0758 -23.0758 -23.0747 -23.0747 -23.0701 -23.0701 -23.0698 -23.0698 -10.8542 -10.8542 -10.6185 -10.6185 -7.8432 -7.8432 -7.5274 -7.5274 -6.9216 -6.9216 -6.4094 -6.4094 -4.5590 -4.5590 -4.4453 -4.4453 -3.8547 -3.8547 -3.2357 -3.2357 -3.2178 -3.2178 -3.2135 -3.2135 -2.5559 -2.5559 -2.4310 -2.4310 -2.1732 -2.1732 -1.8986 -1.8986 -1.3976 -1.3976 -1.1019 -1.1019 5.2998 5.2998 5.3037 5.3037 6.0536 6.0536 6.1614 6.1614 6.2989 6.2989 k = 0.2429 0.3937-0.0000 ( 13038 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2511 -23.2511 -23.0758 -23.0758 -23.0747 -23.0747 -23.0701 -23.0701 -23.0698 -23.0698 -10.8639 -10.8639 -10.6181 -10.6181 -7.8547 -7.8547 -7.5256 -7.5256 -6.9364 -6.9364 -6.4030 -6.4030 -4.5337 -4.5337 -4.4189 -4.4189 -3.8596 -3.8596 -3.2352 -3.2352 -3.2237 -3.2237 -3.1934 -3.1934 -2.5471 -2.5471 -2.4178 -2.4178 -2.1676 -2.1676 -1.8847 -1.8847 -1.4079 -1.4079 -1.0993 -1.0993 5.2696 5.2696 5.2752 5.2752 6.0383 6.0383 6.1288 6.1288 6.2632 6.2632 k = 0.2286 0.3937-0.0000 ( 13042 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2510 -23.2510 -23.0758 -23.0758 -23.0746 -23.0746 -23.0701 -23.0701 -23.0698 -23.0698 -10.8732 -10.8732 -10.6179 -10.6179 -7.8657 -7.8657 -7.5243 -7.5243 -6.9506 -6.9506 -6.3973 -6.3973 -4.5075 -4.5075 -4.3922 -4.3922 -3.8639 -3.8639 -3.2351 -3.2351 -3.2303 -3.2303 -3.1745 -3.1745 -2.5380 -2.5380 -2.4051 -2.4051 -2.1613 -2.1613 -1.8710 -1.8710 -1.4178 -1.4178 -1.0970 -1.0970 5.2416 5.2416 5.2494 5.2494 6.0235 6.0235 6.0934 6.0934 6.2245 6.2245 k = 0.2143 0.3937-0.0000 ( 13046 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2510 -23.2510 -23.0758 -23.0758 -23.0746 -23.0746 -23.0701 -23.0701 -23.0698 -23.0698 -10.8821 -10.8821 -10.6179 -10.6179 -7.8764 -7.8764 -7.5232 -7.5232 -6.9642 -6.9642 -6.3923 -6.3923 -4.4805 -4.4805 -4.3654 -4.3654 -3.8676 -3.8676 -3.2377 -3.2377 -3.2354 -3.2354 -3.1569 -3.1569 -2.5288 -2.5288 -2.3929 -2.3929 -2.1542 -2.1542 -1.8576 -1.8576 -1.4273 -1.4273 -1.0950 -1.0950 5.2158 5.2158 5.2264 5.2264 6.0091 6.0091 6.0556 6.0556 6.1835 6.1835 k = 0.2000 0.3937-0.0000 ( 13048 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2510 -23.2510 -23.0758 -23.0758 -23.0745 -23.0745 -23.0701 -23.0701 -23.0697 -23.0697 -10.8907 -10.8907 -10.6181 -10.6181 -7.8865 -7.8865 -7.5224 -7.5224 -6.9771 -6.9771 -6.3879 -6.3879 -4.4531 -4.4531 -4.3387 -4.3387 -3.8707 -3.8707 -3.2457 -3.2457 -3.2361 -3.2361 -3.1406 -3.1406 -2.5194 -2.5194 -2.3814 -2.3814 -2.1464 -2.1464 -1.8447 -1.8447 -1.4364 -1.4364 -1.0932 -1.0932 5.1925 5.1925 5.2064 5.2064 5.9953 5.9953 6.0158 6.0158 6.1406 6.1406 k = 0.1857 0.3937-0.0000 ( 13060 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2509 -23.2509 -23.0759 -23.0759 -23.0745 -23.0745 -23.0701 -23.0701 -23.0697 -23.0697 -10.8989 -10.8989 -10.6184 -10.6184 -7.8961 -7.8961 -7.5218 -7.5218 -6.9894 -6.9894 -6.3840 -6.3840 -4.4254 -4.4254 -4.3122 -4.3122 -3.8733 -3.8733 -3.2543 -3.2543 -3.2373 -3.2373 -3.1256 -3.1256 -2.5101 -2.5101 -2.3707 -2.3707 -2.1382 -2.1382 -1.8322 -1.8322 -1.4451 -1.4451 -1.0916 -1.0916 5.1718 5.1718 5.1896 5.1896 5.9744 5.9744 5.9821 5.9821 6.0963 6.0963 k = 0.1714 0.3937-0.0000 ( 13060 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2509 -23.2509 -23.0758 -23.0758 -23.0745 -23.0745 -23.0700 -23.0700 -23.0697 -23.0697 -10.9066 -10.9066 -10.6188 -10.6188 -7.9051 -7.9051 -7.5215 -7.5215 -7.0008 -7.0008 -6.3807 -6.3807 -4.3977 -4.3977 -4.2862 -4.2862 -3.8755 -3.8755 -3.2633 -3.2633 -3.2390 -3.2390 -3.1119 -3.1119 -2.5010 -2.5010 -2.3607 -2.3607 -2.1296 -2.1296 -1.8203 -1.8203 -1.4532 -1.4532 -1.0901 -1.0901 5.1538 5.1538 5.1759 5.1759 5.9319 5.9319 5.9696 5.9696 6.0512 6.0512 k = 0.1571 0.3937-0.0000 ( 13060 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2509 -23.2509 -23.0758 -23.0758 -23.0744 -23.0744 -23.0700 -23.0700 -23.0697 -23.0697 -10.9138 -10.9138 -10.6193 -10.6193 -7.9135 -7.9135 -7.5213 -7.5213 -7.0116 -7.0116 -6.3779 -6.3779 -4.3703 -4.3703 -4.2609 -4.2609 -3.8774 -3.8774 -3.2728 -3.2728 -3.2410 -3.2410 -3.0996 -3.0996 -2.4921 -2.4921 -2.3516 -2.3516 -2.1208 -2.1208 -1.8090 -1.8090 -1.4608 -1.4608 -1.0889 -1.0889 5.1386 5.1386 5.1655 5.1655 5.8887 5.8887 5.9577 5.9577 6.0058 6.0058 k = 0.1429 0.3937-0.0000 ( 13068 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2509 -23.2509 -23.0758 -23.0758 -23.0744 -23.0744 -23.0700 -23.0700 -23.0697 -23.0697 -10.9204 -10.9204 -10.6199 -10.6199 -7.9213 -7.9213 -7.5213 -7.5213 -7.0215 -7.0215 -6.3755 -6.3755 -4.3434 -4.3434 -4.2366 -4.2366 -3.8789 -3.8789 -3.2824 -3.2824 -3.2433 -3.2433 -3.0885 -3.0885 -2.4835 -2.4835 -2.3434 -2.3434 -2.1121 -2.1121 -1.7983 -1.7983 -1.4678 -1.4678 -1.0877 -1.0877 5.1261 5.1261 5.1583 5.1583 5.8454 5.8454 5.9467 5.9467 5.9605 5.9605 k = 0.1286 0.3937-0.0000 ( 13080 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2509 -23.2509 -23.0758 -23.0758 -23.0744 -23.0744 -23.0700 -23.0700 -23.0697 -23.0697 -10.9266 -10.9266 -10.6206 -10.6206 -7.9284 -7.9284 -7.5214 -7.5214 -7.0305 -7.0305 -6.3735 -6.3735 -4.3175 -4.3175 -4.2134 -4.2134 -3.8801 -3.8801 -3.2922 -3.2922 -3.2460 -3.2460 -3.0787 -3.0787 -2.4755 -2.4755 -2.3360 -2.3360 -2.1035 -2.1035 -1.7885 -1.7885 -1.4742 -1.4742 -1.0867 -1.0867 5.1165 5.1165 5.1543 5.1543 5.8025 5.8025 5.9162 5.9162 5.9365 5.9365 k = 0.1143 0.3937-0.0000 ( 13060 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2508 -23.2508 -23.0758 -23.0758 -23.0743 -23.0743 -23.0700 -23.0700 -23.0696 -23.0696 -10.9321 -10.9321 -10.6212 -10.6212 -7.9349 -7.9349 -7.5215 -7.5215 -7.0387 -7.0387 -6.3719 -6.3719 -4.2929 -4.2929 -4.1918 -4.1918 -3.8810 -3.8810 -3.3019 -3.3019 -3.2488 -3.2488 -3.0701 -3.0701 -2.4680 -2.4680 -2.3296 -2.3296 -2.0952 -2.0952 -1.7795 -1.7795 -1.4801 -1.4801 -1.0858 -1.0858 5.1094 5.1094 5.1532 5.1532 5.7604 5.7604 5.8733 5.8733 5.9272 5.9272 k = 0.1000 0.3937-0.0000 ( 13056 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2508 -23.2508 -23.0758 -23.0758 -23.0743 -23.0743 -23.0700 -23.0700 -23.0696 -23.0696 -10.9371 -10.9371 -10.6218 -10.6218 -7.9406 -7.9406 -7.5217 -7.5217 -7.0460 -7.0460 -6.3705 -6.3705 -4.2699 -4.2699 -4.1718 -4.1718 -3.8818 -3.8818 -3.3112 -3.3112 -3.2517 -3.2517 -3.0626 -3.0626 -2.4612 -2.4612 -2.3239 -2.3239 -2.0875 -2.0875 -1.7713 -1.7713 -1.4852 -1.4852 -1.0850 -1.0850 5.1048 5.1048 5.1548 5.1548 5.7199 5.7199 5.8325 5.8325 5.9188 5.9188 k = 0.0857 0.3937-0.0000 ( 13066 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2508 -23.2508 -23.0758 -23.0758 -23.0743 -23.0743 -23.0700 -23.0700 -23.0696 -23.0696 -10.9414 -10.9414 -10.6223 -10.6223 -7.9457 -7.9457 -7.5219 -7.5219 -7.0523 -7.0523 -6.3694 -6.3694 -4.2489 -4.2489 -4.1539 -4.1539 -3.8824 -3.8824 -3.3200 -3.3200 -3.2545 -3.2545 -3.0563 -3.0563 -2.4551 -2.4551 -2.3192 -2.3192 -2.0804 -2.0804 -1.7642 -1.7642 -1.4898 -1.4898 -1.0844 -1.0844 5.1024 5.1024 5.1588 5.1588 5.6816 5.6816 5.7946 5.7946 5.9115 5.9115 k = 0.0714 0.3937-0.0000 ( 13076 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2508 -23.2508 -23.0758 -23.0758 -23.0743 -23.0743 -23.0700 -23.0700 -23.0696 -23.0696 -10.9451 -10.9451 -10.6229 -10.6229 -7.9499 -7.9499 -7.5221 -7.5221 -7.0577 -7.0577 -6.3686 -6.3686 -4.2303 -4.2303 -4.1382 -4.1382 -3.8829 -3.8829 -3.3281 -3.3281 -3.2572 -3.2572 -3.0510 -3.0510 -2.4499 -2.4499 -2.3152 -2.3152 -2.0741 -2.0741 -1.7580 -1.7580 -1.4936 -1.4936 -1.0838 -1.0838 5.1017 5.1017 5.1646 5.1646 5.6462 5.6462 5.7605 5.7605 5.9052 5.9052 k = 0.0571 0.3937-0.0000 ( 13078 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2508 -23.2508 -23.0758 -23.0758 -23.0743 -23.0743 -23.0700 -23.0700 -23.0696 -23.0696 -10.9481 -10.9481 -10.6233 -10.6233 -7.9535 -7.9535 -7.5224 -7.5224 -7.0622 -7.0622 -6.3679 -6.3679 -4.2144 -4.2144 -4.1250 -4.1250 -3.8832 -3.8832 -3.3351 -3.3351 -3.2597 -3.2597 -3.0468 -3.0468 -2.4455 -2.4455 -2.3120 -2.3120 -2.0688 -2.0688 -1.7529 -1.7529 -1.4968 -1.4968 -1.0833 -1.0833 5.1023 5.1023 5.1716 5.1716 5.6147 5.6147 5.7308 5.7308 5.9000 5.9000 k = 0.0429 0.3937-0.0000 ( 13066 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0696 -23.0696 -10.9505 -10.9505 -10.6237 -10.6237 -7.9562 -7.9562 -7.5225 -7.5225 -7.0657 -7.0657 -6.3674 -6.3674 -4.2016 -4.2016 -4.1145 -4.1145 -3.8834 -3.8834 -3.3409 -3.3409 -3.2617 -3.2617 -3.0435 -3.0435 -2.4420 -2.4420 -2.3096 -2.3096 -2.0646 -2.0646 -1.7489 -1.7489 -1.4993 -1.4993 -1.0830 -1.0830 5.1036 5.1036 5.1789 5.1789 5.5883 5.5883 5.7066 5.7066 5.8959 5.8959 k = 0.0286 0.3937-0.0000 ( 13076 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0696 -23.0696 -10.9522 -10.9522 -10.6239 -10.6239 -7.9582 -7.9582 -7.5227 -7.5227 -7.0682 -7.0682 -6.3671 -6.3671 -4.1923 -4.1923 -4.1068 -4.1068 -3.8836 -3.8836 -3.3452 -3.3452 -3.2632 -3.2632 -3.0412 -3.0412 -2.4395 -2.4395 -2.3079 -2.3079 -2.0615 -2.0615 -1.7460 -1.7460 -1.5011 -1.5011 -1.0827 -1.0827 5.1050 5.1050 5.1853 5.1853 5.5680 5.5680 5.6886 5.6886 5.8930 5.8930 k = 0.0143 0.3937-0.0000 ( 13072 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0696 -23.0696 -10.9533 -10.9533 -10.6241 -10.6241 -7.9594 -7.9594 -7.5228 -7.5228 -7.0697 -7.0697 -6.3669 -6.3669 -4.1866 -4.1866 -4.1022 -4.1022 -3.8837 -3.8837 -3.3479 -3.3479 -3.2641 -3.2641 -3.0398 -3.0398 -2.4380 -2.4380 -2.3068 -2.3068 -2.0596 -2.0596 -1.7442 -1.7442 -1.5021 -1.5021 -1.0825 -1.0825 5.1062 5.1062 5.1897 5.1897 5.5552 5.5552 5.6774 5.6774 5.8912 5.8912 k = 0.0000 0.3937-0.0000 ( 13088 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2507 -23.2507 -23.0759 -23.0759 -23.0742 -23.0742 -23.0699 -23.0699 -23.0696 -23.0696 -10.9536 -10.9536 -10.6241 -10.6241 -7.9598 -7.9598 -7.5228 -7.5228 -7.0702 -7.0702 -6.3668 -6.3668 -4.1847 -4.1847 -4.1006 -4.1006 -3.8837 -3.8837 -3.3488 -3.3488 -3.2645 -3.2645 -3.0393 -3.0393 -2.4375 -2.4375 -2.3065 -2.3065 -2.0590 -2.0590 -1.7437 -1.7437 -1.5025 -1.5025 -1.0825 -1.0825 5.1066 5.1066 5.1913 5.1913 5.5508 5.5508 5.6737 5.6737 5.8906 5.8906 k = 0.0000 0.3937-0.0000 ( 13088 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2507 -23.2507 -23.0759 -23.0759 -23.0742 -23.0742 -23.0699 -23.0699 -23.0696 -23.0696 -10.9536 -10.9536 -10.6241 -10.6241 -7.9598 -7.9598 -7.5228 -7.5228 -7.0702 -7.0702 -6.3668 -6.3668 -4.1847 -4.1847 -4.1006 -4.1006 -3.8837 -3.8837 -3.3488 -3.3488 -3.2645 -3.2645 -3.0393 -3.0393 -2.4375 -2.4375 -2.3065 -2.3065 -2.0590 -2.0590 -1.7437 -1.7437 -1.5025 -1.5025 -1.0825 -1.0825 5.1066 5.1066 5.1913 5.1913 5.5508 5.5508 5.6737 5.6737 5.8906 5.8906 k = 0.0000 0.3797-0.0000 ( 13080 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0696 -23.0696 -10.9539 -10.9539 -10.6240 -10.6240 -7.9606 -7.9606 -7.5219 -7.5219 -7.0690 -7.0690 -6.3665 -6.3665 -4.1860 -4.1859 -4.0992 -4.0992 -3.8834 -3.8834 -3.3527 -3.3527 -3.2625 -3.2625 -3.0398 -3.0398 -2.4377 -2.4376 -2.3068 -2.3068 -2.0592 -2.0592 -1.7432 -1.7432 -1.5026 -1.5026 -1.0831 -1.0831 5.1057 5.1058 5.1957 5.1957 5.5425 5.5426 5.6847 5.6848 5.8871 5.8871 k = 0.0000 0.3656-0.0000 ( 13084 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0700 -23.0699 -23.0696 -23.0696 -10.9549 -10.9549 -10.6238 -10.6238 -7.9631 -7.9631 -7.5191 -7.5191 -7.0657 -7.0657 -6.3653 -6.3653 -4.1895 -4.1895 -4.0952 -4.0952 -3.8824 -3.8824 -3.3635 -3.3635 -3.2577 -3.2576 -3.0412 -3.0411 -2.4380 -2.4379 -2.3078 -2.3077 -2.0599 -2.0598 -1.7418 -1.7417 -1.5028 -1.5028 -1.0848 -1.0848 5.1041 5.1041 5.2079 5.2080 5.5234 5.5236 5.7120 5.7122 5.8769 5.8769 k = 0.0000 0.3515-0.0000 ( 13068 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0700 -23.0699 -23.0696 -23.0695 -10.9565 -10.9565 -10.6233 -10.6233 -7.9671 -7.9671 -7.5146 -7.5146 -7.0600 -7.0600 -6.3635 -6.3635 -4.1948 -4.1947 -4.0892 -4.0892 -3.8807 -3.8807 -3.3793 -3.3793 -3.2516 -3.2516 -3.0435 -3.0434 -2.4387 -2.4385 -2.3094 -2.3093 -2.0610 -2.0609 -1.7395 -1.7394 -1.5032 -1.5032 -1.0877 -1.0877 5.1031 5.1032 5.2263 5.2264 5.5012 5.5015 5.7483 5.7485 5.8605 5.8605 k = 0.0000 0.3375-0.0000 ( 13072 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0700 -23.0699 -23.0696 -23.0695 -10.9587 -10.9587 -10.6227 -10.6227 -7.9725 -7.9725 -7.5084 -7.5084 -7.0522 -7.0522 -6.3610 -6.3610 -4.2012 -4.2011 -4.0818 -4.0817 -3.8784 -3.8784 -3.3988 -3.3987 -3.2458 -3.2457 -3.0466 -3.0466 -2.4395 -2.4393 -2.3117 -2.3115 -2.0624 -2.0623 -1.7364 -1.7362 -1.5038 -1.5038 -1.0917 -1.0917 5.1040 5.1041 5.2492 5.2494 5.4793 5.4796 5.7900 5.7902 5.8388 5.8389 k = 0.0000 0.3234-0.0000 ( 13064 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0700 -23.0699 -23.0696 -23.0695 -10.9615 -10.9615 -10.6220 -10.6220 -7.9791 -7.9791 -7.5009 -7.5009 -7.0422 -7.0422 -6.3579 -6.3578 -4.2082 -4.2081 -4.0734 -4.0734 -3.8755 -3.8754 -3.4210 -3.4209 -3.2408 -3.2407 -3.0507 -3.0506 -2.4407 -2.4405 -2.3145 -2.3143 -2.0641 -2.0640 -1.7325 -1.7323 -1.5045 -1.5045 -1.0965 -1.0965 5.1074 5.1075 5.2757 5.2758 5.4593 5.4596 5.8129 5.8129 5.8357 5.8359 k = 0.0000 0.3093-0.0000 ( 13056 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -10.9648 -10.9648 -10.6211 -10.6211 -7.9868 -7.9868 -7.4921 -7.4921 -7.0301 -7.0301 -6.3542 -6.3542 -4.2154 -4.2153 -4.0645 -4.0644 -3.8718 -3.8718 -3.4455 -3.4454 -3.2370 -3.2369 -3.0557 -3.0556 -2.4422 -2.4419 -2.3179 -2.3177 -2.0660 -2.0659 -1.7279 -1.7278 -1.5053 -1.5053 -1.1022 -1.1022 5.1134 5.1134 5.3048 5.3049 5.4420 5.4423 5.7838 5.7838 5.8849 5.8851 k = 0.0000 0.2953-0.0000 ( 13034 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -10.9685 -10.9685 -10.6202 -10.6202 -7.9953 -7.9953 -7.4824 -7.4824 -7.0159 -7.0159 -6.3502 -6.3502 -4.2226 -4.2225 -4.0551 -4.0551 -3.8676 -3.8675 -3.4718 -3.4717 -3.2347 -3.2346 -3.0615 -3.0614 -2.4440 -2.4437 -2.3219 -2.3217 -2.0680 -2.0678 -1.7228 -1.7227 -1.5062 -1.5062 -1.1085 -1.1085 5.1219 5.1219 5.3357 5.3358 5.4280 5.4282 5.7523 5.7524 5.9373 5.9375 k = 0.0000 0.2812-0.0000 ( 13040 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -10.9726 -10.9726 -10.6192 -10.6192 -8.0045 -8.0045 -7.4718 -7.4718 -6.9997 -6.9997 -6.3460 -6.3460 -4.2295 -4.2294 -4.0457 -4.0457 -3.8627 -3.8626 -3.4997 -3.4996 -3.2338 -3.2337 -3.0682 -3.0680 -2.4461 -2.4458 -2.3264 -2.3262 -2.0700 -2.0699 -1.7173 -1.7171 -1.5071 -1.5071 -1.1154 -1.1154 5.1325 5.1325 5.3673 5.3675 5.4181 5.4183 5.7195 5.7195 5.9929 5.9930 k = 0.0000 0.2672-0.0000 ( 13042 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -10.9771 -10.9771 -10.6181 -10.6181 -8.0141 -8.0141 -7.4607 -7.4607 -6.9817 -6.9816 -6.3416 -6.3416 -4.2362 -4.2361 -4.0361 -4.0361 -3.8572 -3.8572 -3.5289 -3.5288 -3.2344 -3.2343 -3.0757 -3.0755 -2.4487 -2.4483 -2.3314 -2.3311 -2.0720 -2.0719 -1.7114 -1.7112 -1.5082 -1.5082 -1.1225 -1.1225 5.1448 5.1449 5.3952 5.3955 5.4167 5.4168 5.6860 5.6860 6.0516 6.0517 k = 0.0000 0.2531-0.0000 ( 13048 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -10.9818 -10.9818 -10.6171 -10.6171 -8.0241 -8.0241 -7.4492 -7.4492 -6.9618 -6.9618 -6.3372 -6.3372 -4.2423 -4.2422 -4.0266 -4.0266 -3.8512 -3.8511 -3.5591 -3.5590 -3.2365 -3.2364 -3.0839 -3.0838 -2.4515 -2.4512 -2.3367 -2.3364 -2.0739 -2.0738 -1.7053 -1.7051 -1.5094 -1.5094 -1.1297 -1.1297 5.1581 5.1582 5.4030 5.4033 5.4402 5.4402 5.6524 5.6524 6.1134 6.1135 k = 0.0000 0.2390-0.0000 ( 13049 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -10.9867 -10.9866 -10.6160 -10.6160 -8.0341 -8.0341 -7.4374 -7.4374 -6.9403 -6.9402 -6.3331 -6.3331 -4.2479 -4.2478 -4.0172 -4.0171 -3.8446 -3.8445 -3.5901 -3.5901 -3.2401 -3.2400 -3.0930 -3.0928 -2.4548 -2.4544 -2.3423 -2.3420 -2.0757 -2.0755 -1.6991 -1.6989 -1.5107 -1.5107 -1.1369 -1.1369 5.1717 5.1718 5.4067 5.4069 5.4724 5.4725 5.6193 5.6194 6.1784 6.1784 k = 0.0000 0.2250-0.0000 ( 13045 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -10.9917 -10.9917 -10.6150 -10.6150 -8.0442 -8.0442 -7.4256 -7.4256 -6.9172 -6.9171 -6.3293 -6.3293 -4.2527 -4.2527 -4.0079 -4.0078 -3.8374 -3.8373 -3.6217 -3.6216 -3.2451 -3.2450 -3.1026 -3.1025 -2.4583 -2.4580 -2.3481 -2.3478 -2.0772 -2.0770 -1.6928 -1.6926 -1.5121 -1.5121 -1.1440 -1.1440 5.1847 5.1848 5.4146 5.4148 5.5051 5.5052 5.5872 5.5872 6.2464 6.2464 k = 0.0000 0.2109-0.0000 ( 13067 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -10.9967 -10.9967 -10.6140 -10.6140 -8.0541 -8.0541 -7.4139 -7.4139 -6.8926 -6.8926 -6.3262 -6.3262 -4.2569 -4.2568 -3.9988 -3.9988 -3.8298 -3.8297 -3.6535 -3.6535 -3.2513 -3.2512 -3.1129 -3.1127 -2.4622 -2.4619 -2.3540 -2.3537 -2.0785 -2.0783 -1.6865 -1.6863 -1.5136 -1.5136 -1.1506 -1.1506 5.1967 5.1968 5.4276 5.4277 5.5371 5.5372 5.5564 5.5564 6.3174 6.3174 k = 0.0000 0.1969-0.0000 ( 13063 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -11.0018 -11.0018 -10.6130 -10.6130 -8.0638 -8.0638 -7.4024 -7.4024 -6.8668 -6.8668 -6.3238 -6.3238 -4.2602 -4.2601 -3.9901 -3.9900 -3.8218 -3.8217 -3.6854 -3.6853 -3.2588 -3.2587 -3.1237 -3.1235 -2.4662 -2.4659 -2.3599 -2.3597 -2.0796 -2.0794 -1.6804 -1.6802 -1.5153 -1.5153 -1.1568 -1.1568 5.2073 5.2074 5.4456 5.4456 5.5271 5.5272 5.5680 5.5681 6.3912 6.3913 k = 0.0000 0.1828-0.0000 ( 13061 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -11.0068 -11.0068 -10.6122 -10.6122 -8.0732 -8.0732 -7.3912 -7.3912 -6.8398 -6.8398 -6.3225 -6.3225 -4.2626 -4.2625 -3.9816 -3.9816 -3.8135 -3.8133 -3.7169 -3.7169 -3.2673 -3.2672 -3.1349 -3.1347 -2.4704 -2.4701 -2.3658 -2.3656 -2.0804 -2.0802 -1.6745 -1.6743 -1.5172 -1.5171 -1.1625 -1.1625 5.2165 5.2166 5.4680 5.4681 5.4997 5.4997 5.5975 5.5976 6.3712 6.3713 k = 0.0000 0.1687-0.0000 ( 13051 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0698 -23.0695 -23.0695 -11.0117 -11.0116 -10.6114 -10.6114 -8.0821 -8.0821 -7.3804 -7.3804 -6.8119 -6.8119 -6.3223 -6.3223 -4.2641 -4.2640 -3.9736 -3.9736 -3.8048 -3.8047 -3.7479 -3.7479 -3.2767 -3.2766 -3.1464 -3.1462 -2.4746 -2.4743 -2.3716 -2.3713 -2.0810 -2.0808 -1.6688 -1.6685 -1.5191 -1.5191 -1.1675 -1.1675 5.2245 5.2247 5.4743 5.4743 5.4941 5.4942 5.6254 5.6255 6.3190 6.3191 k = 0.0000 0.1547-0.0000 ( 13057 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0698 -23.0695 -23.0695 -11.0163 -11.0163 -10.6106 -10.6106 -8.0906 -8.0906 -7.3702 -7.3702 -6.7832 -6.7832 -6.3235 -6.3234 -4.2646 -4.2645 -3.9662 -3.9661 -3.7960 -3.7959 -3.7781 -3.7780 -3.2869 -3.2868 -3.1580 -3.1578 -2.4787 -2.4785 -2.3772 -2.3770 -2.0814 -2.0812 -1.6633 -1.6631 -1.5212 -1.5212 -1.1719 -1.1719 5.2317 5.2319 5.4510 5.4510 5.5229 5.5230 5.6516 5.6517 6.2690 6.2691 k = 0.0000 0.1406-0.0000 ( 13057 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0698 -23.0695 -23.0695 -11.0208 -11.0208 -10.6100 -10.6100 -8.0985 -8.0985 -7.3606 -7.3606 -6.7540 -6.7539 -6.3262 -6.3262 -4.2641 -4.2641 -3.9594 -3.9593 -3.8069 -3.8069 -3.7872 -3.7871 -3.2975 -3.2974 -3.1696 -3.1694 -2.4827 -2.4824 -2.3826 -2.3823 -2.0816 -2.0814 -1.6583 -1.6581 -1.5233 -1.5233 -1.1757 -1.1757 5.2383 5.2384 5.4300 5.4300 5.5533 5.5533 5.6761 5.6761 6.2217 6.2218 k = 0.0000 0.1266-0.0000 ( 13053 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0698 -23.0695 -23.0695 -11.0249 -11.0249 -10.6094 -10.6094 -8.1058 -8.1058 -7.3517 -7.3517 -6.7243 -6.7243 -6.3305 -6.3305 -4.2627 -4.2627 -3.9537 -3.9536 -3.8340 -3.8339 -3.7784 -3.7783 -3.3084 -3.3083 -3.1810 -3.1809 -2.4864 -2.4862 -2.3877 -2.3875 -2.0816 -2.0815 -1.6536 -1.6534 -1.5255 -1.5255 -1.1789 -1.1789 5.2444 5.2445 5.4112 5.4112 5.5843 5.5843 5.6988 5.6988 6.1775 6.1776 k = 0.0000 0.1125-0.0000 ( 13049 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0698 -23.0695 -23.0695 -11.0288 -11.0288 -10.6089 -10.6089 -8.1125 -8.1125 -7.3435 -7.3435 -6.6945 -6.6945 -6.3367 -6.3367 -4.2604 -4.2604 -3.9496 -3.9495 -3.8584 -3.8584 -3.7698 -3.7697 -3.3193 -3.3192 -3.1921 -3.1919 -2.4898 -2.4896 -2.3924 -2.3922 -2.0815 -2.0814 -1.6493 -1.6491 -1.5277 -1.5276 -1.1814 -1.1814 5.2501 5.2502 5.3947 5.3948 5.6148 5.6148 5.7197 5.7197 6.1368 6.1369 k = 0.0000 0.0984-0.0000 ( 13057 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0698 -23.0695 -23.0695 -11.0323 -11.0322 -10.6085 -10.6085 -8.1185 -8.1185 -7.3362 -7.3362 -6.6648 -6.6648 -6.3448 -6.3447 -4.2573 -4.2573 -3.9482 -3.9481 -3.8790 -3.8789 -3.7616 -3.7615 -3.3298 -3.3298 -3.2026 -3.2025 -2.4928 -2.4926 -2.3968 -2.3967 -2.0813 -2.0812 -1.6455 -1.6453 -1.5297 -1.5297 -1.1835 -1.1835 5.2555 5.2556 5.3805 5.3805 5.6438 5.6439 5.7390 5.7390 6.0999 6.0999 k = 0.0000 0.0844-0.0000 ( 13057 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0698 -23.0695 -23.0695 -11.0353 -11.0353 -10.6081 -10.6081 -8.1237 -8.1237 -7.3298 -7.3298 -6.6355 -6.6354 -6.3547 -6.3546 -4.2536 -4.2536 -3.9515 -3.9513 -3.8934 -3.8934 -3.7540 -3.7539 -3.3398 -3.3398 -3.2123 -3.2122 -2.4954 -2.4953 -2.4008 -2.4007 -2.0810 -2.0809 -1.6421 -1.6420 -1.5317 -1.5317 -1.1851 -1.1851 5.2604 5.2605 5.3685 5.3685 5.6703 5.6704 5.7568 5.7568 6.0671 6.0671 k = 0.0000 0.0703-0.0000 ( 13047 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0698 -23.0698 -23.0695 -23.0695 -11.0380 -11.0380 -10.6078 -10.6078 -8.1282 -8.1282 -7.3242 -7.3242 -6.6068 -6.6068 -6.3664 -6.3664 -4.2494 -4.2494 -3.9602 -3.9601 -3.9006 -3.9006 -3.7470 -3.7469 -3.3489 -3.3489 -3.2211 -3.2210 -2.4976 -2.4975 -2.4043 -2.4042 -2.0807 -2.0806 -1.6392 -1.6391 -1.5334 -1.5334 -1.1863 -1.1863 5.2648 5.2649 5.3585 5.3585 5.6934 5.6935 5.7730 5.7730 6.0387 6.0387 k = 0.0000 0.0562-0.0000 ( 13059 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -11.0402 -11.0402 -10.6076 -10.6076 -8.1319 -8.1319 -7.3197 -7.3197 -6.5793 -6.5792 -6.3799 -6.3798 -4.2451 -4.2451 -3.9721 -3.9720 -3.9027 -3.9027 -3.7410 -3.7410 -3.3568 -3.3568 -3.2286 -3.2285 -2.4993 -2.4993 -2.4073 -2.4072 -2.0804 -2.0804 -1.6368 -1.6367 -1.5349 -1.5349 -1.1872 -1.1871 5.2687 5.2687 5.3506 5.3506 5.7124 5.7125 5.7876 5.7876 6.0150 6.0151 k = 0.0000 0.0422-0.0000 ( 13057 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -11.0419 -11.0419 -10.6074 -10.6074 -8.1348 -8.1348 -7.3161 -7.3161 -6.5534 -6.5533 -6.3946 -6.3945 -4.2411 -4.2411 -3.9838 -3.9838 -3.9025 -3.9025 -3.7361 -3.7361 -3.3633 -3.3633 -3.2347 -3.2346 -2.5007 -2.5006 -2.4096 -2.4095 -2.0802 -2.0801 -1.6349 -1.6349 -1.5362 -1.5361 -1.1878 -1.1878 5.2718 5.2719 5.3446 5.3446 5.7269 5.7270 5.8001 5.8001 5.9963 5.9964 k = 0.0000 0.0281-0.0000 ( 13061 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -11.0432 -11.0432 -10.6073 -10.6073 -8.1369 -8.1369 -7.3135 -7.3135 -6.5302 -6.5301 -6.4097 -6.4096 -4.2377 -4.2377 -3.9933 -3.9932 -3.9017 -3.9017 -3.7325 -3.7325 -3.3681 -3.3681 -3.2392 -3.2391 -2.5016 -2.5016 -2.4113 -2.4113 -2.0800 -2.0799 -1.6336 -1.6336 -1.5371 -1.5370 -1.1882 -1.1882 5.2741 5.2742 5.3403 5.3403 5.7371 5.7371 5.8098 5.8098 5.9828 5.9828 k = 0.0000 0.0141-0.0000 ( 13063 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0695 -23.0695 -11.0439 -11.0439 -10.6072 -10.6072 -8.1382 -8.1382 -7.3119 -7.3119 -6.5121 -6.5121 -6.4227 -6.4227 -4.2355 -4.2355 -3.9994 -3.9994 -3.9010 -3.9010 -3.7303 -3.7303 -3.3710 -3.3710 -3.2419 -3.2419 -2.5022 -2.5022 -2.4124 -2.4124 -2.0798 -2.0798 -1.6328 -1.6328 -1.5376 -1.5376 -1.1884 -1.1884 5.2755 5.2756 5.3378 5.3378 5.7430 5.7431 5.8160 5.8160 5.9746 5.9746 k = 0.0000 0.0000 0.0000 ( 13049 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0694 -23.0694 -11.0442 -11.0442 -10.6072 -10.6072 -8.1386 -8.1386 -7.3114 -7.3114 -6.5047 -6.5047 -6.4286 -6.4286 -4.2347 -4.2347 -4.0015 -4.0015 -3.9007 -3.9007 -3.7295 -3.7295 -3.3720 -3.3720 -3.2429 -3.2429 -2.5024 -2.5024 -2.4127 -2.4127 -2.0798 -2.0798 -1.6325 -1.6325 -1.5378 -1.5378 -1.1885 -1.1885 5.2760 5.2760 5.3370 5.3370 5.7450 5.7450 5.8181 5.8181 5.9719 5.9719 k = 0.0000 0.0000 0.0000 ( 13049 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0694 -23.0694 -11.0442 -11.0442 -10.6072 -10.6072 -8.1386 -8.1386 -7.3114 -7.3114 -6.5047 -6.5047 -6.4286 -6.4286 -4.2347 -4.2347 -4.0015 -4.0015 -3.9007 -3.9007 -3.7295 -3.7295 -3.3720 -3.3720 -3.2429 -3.2429 -2.5024 -2.5024 -2.4127 -2.4127 -2.0798 -2.0798 -1.6325 -1.6325 -1.5378 -1.5378 -1.1885 -1.1885 5.2760 5.2760 5.3370 5.3370 5.7450 5.7450 5.8181 5.8181 5.9719 5.9719 k = 0.0000 0.0000 0.0139 ( 13047 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2507 -23.2507 -23.0758 -23.0757 -23.0742 -23.0741 -23.0699 -23.0699 -23.0695 -23.0694 -11.0437 -11.0437 -10.6079 -10.6079 -8.1374 -8.1374 -7.3126 -7.3126 -6.5045 -6.5045 -6.4286 -6.4286 -4.2345 -4.2344 -4.0014 -4.0014 -3.9011 -3.9011 -3.7304 -3.7304 -3.3710 -3.3710 -3.2427 -3.2427 -2.5021 -2.5021 -2.4126 -2.4126 -2.0795 -2.0795 -1.6333 -1.6332 -1.5375 -1.5374 -1.1892 -1.1892 5.2764 5.2765 5.3364 5.3364 5.7441 5.7441 5.8119 5.8120 5.9777 5.9777 k = 0.0000 0.0000 0.0278 ( 13049 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2507 -23.2507 -23.0758 -23.0757 -23.0742 -23.0741 -23.0699 -23.0699 -23.0695 -23.0694 -11.0422 -11.0422 -10.6102 -10.6102 -8.1338 -8.1338 -7.3162 -7.3162 -6.5039 -6.5039 -6.4286 -6.4286 -4.2337 -4.2336 -4.0012 -4.0012 -3.9020 -3.9020 -3.7329 -3.7329 -3.3681 -3.3680 -3.2423 -3.2423 -2.5014 -2.5014 -2.4121 -2.4121 -2.0786 -2.0785 -1.6355 -1.6354 -1.5365 -1.5365 -1.1914 -1.1913 5.2777 5.2778 5.3346 5.3347 5.7413 5.7413 5.7958 5.7959 5.9924 5.9925 k = 0.0000 0.0000 0.0416 ( 13057 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2517 -23.2507 -23.2507 -23.0758 -23.0757 -23.0742 -23.0741 -23.0699 -23.0698 -23.0695 -23.0694 -11.0397 -11.0397 -10.6140 -10.6140 -8.1278 -8.1278 -7.3222 -7.3222 -6.5030 -6.5030 -6.4287 -6.4287 -4.2324 -4.2323 -4.0011 -4.0010 -3.9033 -3.9033 -3.7370 -3.7369 -3.3633 -3.3632 -3.2417 -3.2416 -2.5002 -2.5002 -2.4114 -2.4113 -2.0769 -2.0768 -1.6391 -1.6390 -1.5350 -1.5349 -1.1950 -1.1948 5.2797 5.2798 5.3317 5.3318 5.7367 5.7367 5.7741 5.7742 6.0118 6.0118 k = 0.0000 0.0000 0.0555 ( 13065 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0757 -23.0743 -23.0741 -23.0699 -23.0698 -23.0696 -23.0694 -11.0362 -11.0362 -10.6192 -10.6192 -8.1196 -8.1196 -7.3305 -7.3305 -6.5017 -6.5017 -6.4289 -6.4289 -4.2306 -4.2305 -4.0012 -4.0011 -3.9049 -3.9049 -3.7423 -3.7423 -3.3570 -3.3568 -3.2408 -3.2407 -2.4986 -2.4986 -2.4104 -2.4103 -2.0746 -2.0745 -1.6441 -1.6440 -1.5328 -1.5327 -1.1999 -1.1998 5.2825 5.2826 5.3280 5.3282 5.7303 5.7303 5.7502 5.7503 6.0323 6.0323 k = 0.0000 0.0000 0.0694 ( 13075 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0757 -23.0743 -23.0741 -23.0699 -23.0698 -23.0696 -23.0694 -11.0317 -11.0317 -10.6259 -10.6259 -8.1090 -8.1090 -7.3411 -7.3411 -6.5000 -6.5000 -6.4291 -6.4291 -4.2283 -4.2282 -4.0018 -4.0017 -3.9064 -3.9063 -3.7488 -3.7488 -3.3493 -3.3491 -3.2396 -3.2395 -2.4966 -2.4965 -2.4093 -2.4092 -2.0715 -2.0713 -1.6506 -1.6504 -1.5300 -1.5298 -1.2062 -1.2060 5.2857 5.2859 5.3237 5.3239 5.7221 5.7221 5.7259 5.7260 6.0521 6.0522 k = 0.0000 0.0000 0.0833 ( 13075 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2517 -23.2508 -23.2507 -23.0758 -23.0756 -23.0744 -23.0741 -23.0699 -23.0698 -23.0696 -23.0694 -11.0262 -11.0262 -10.6339 -10.6339 -8.0963 -8.0963 -7.3539 -7.3539 -6.4980 -6.4980 -6.4294 -6.4294 -4.2254 -4.2253 -4.0033 -4.0032 -3.9074 -3.9074 -3.7560 -3.7560 -3.3406 -3.3404 -3.2384 -3.2382 -2.4941 -2.4940 -2.4081 -2.4079 -2.0675 -2.0673 -1.6584 -1.6582 -1.5265 -1.5264 -1.2137 -1.2134 5.2894 5.2896 5.3191 5.3193 5.7022 5.7023 5.7123 5.7123 6.0702 6.0703 k = 0.0000 0.0000 0.0971 ( 13075 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2517 -23.2508 -23.2507 -23.0758 -23.0756 -23.0744 -23.0741 -23.0700 -23.0698 -23.0696 -23.0694 -11.0198 -11.0198 -10.6431 -10.6431 -8.0815 -8.0815 -7.3688 -7.3688 -6.4958 -6.4957 -6.4298 -6.4298 -4.2221 -4.2220 -4.0060 -4.0058 -3.9078 -3.9077 -3.7639 -3.7638 -3.3311 -3.3309 -3.2369 -3.2367 -2.4912 -2.4911 -2.4069 -2.4067 -2.0626 -2.0624 -1.6674 -1.6672 -1.5225 -1.5223 -1.2223 -1.2221 5.2933 5.2935 5.3144 5.3146 5.6798 5.6799 5.7009 5.7009 6.0859 6.0861 k = 0.0000 0.0000 0.1110 ( 13093 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2517 -23.2508 -23.2507 -23.0758 -23.0756 -23.0745 -23.0742 -23.0700 -23.0698 -23.0697 -23.0695 -11.0125 -11.0125 -10.6536 -10.6536 -8.0647 -8.0647 -7.3857 -7.3856 -6.4932 -6.4932 -6.4303 -6.4302 -4.2184 -4.2182 -4.0101 -4.0099 -3.9071 -3.9070 -3.7720 -3.7720 -3.3212 -3.3209 -3.2354 -3.2352 -2.4879 -2.4878 -2.4059 -2.4057 -2.0567 -2.0565 -1.6777 -1.6775 -1.5178 -1.5176 -1.2321 -1.2318 5.2972 5.2974 5.3100 5.3102 5.6592 5.6592 5.6882 5.6883 6.0992 6.0994 k = 0.0000 0.0000 0.1249 ( 13089 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2517 -23.2508 -23.2508 -23.0758 -23.0755 -23.0745 -23.0742 -23.0700 -23.0698 -23.0697 -23.0694 -11.0042 -11.0042 -10.6651 -10.6651 -8.0460 -8.0460 -7.4044 -7.4044 -6.4904 -6.4904 -6.4308 -6.4308 -4.2141 -4.2140 -4.0155 -4.0153 -3.9055 -3.9054 -3.7803 -3.7802 -3.3110 -3.3107 -3.2338 -3.2336 -2.4843 -2.4842 -2.4050 -2.4048 -2.0498 -2.0495 -1.6892 -1.6889 -1.5126 -1.5123 -1.2428 -1.2425 5.3010 5.3012 5.3060 5.3062 5.6404 5.6405 5.6744 5.6745 6.1103 6.1106 k = 0.0000 0.0000 0.1388 ( 13085 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2509 -23.2508 -23.0758 -23.0754 -23.0746 -23.0742 -23.0700 -23.0697 -23.0697 -23.0694 -10.9951 -10.9951 -10.6775 -10.6775 -8.0256 -8.0256 -7.4249 -7.4249 -6.4874 -6.4874 -6.4315 -6.4315 -4.2094 -4.2093 -4.0224 -4.0221 -3.9028 -3.9027 -3.7884 -3.7884 -3.3008 -3.3006 -3.2322 -3.2319 -2.4805 -2.4803 -2.4045 -2.4042 -2.0417 -2.0413 -1.7018 -1.7015 -1.5067 -1.5064 -1.2543 -1.2540 5.3027 5.3029 5.3045 5.3047 5.6237 5.6238 5.6598 5.6599 6.1197 6.1200 k = 0.0000 0.0000 0.1527 ( 13091 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2516 -23.2509 -23.2508 -23.0758 -23.0754 -23.0746 -23.0742 -23.0700 -23.0698 -23.0697 -23.0694 -10.9851 -10.9851 -10.6909 -10.6909 -8.0036 -8.0036 -7.4470 -7.4470 -6.4842 -6.4842 -6.4324 -6.4324 -4.2043 -4.2041 -4.0303 -4.0301 -3.8994 -3.8993 -3.7964 -3.7964 -3.2909 -3.2906 -3.2305 -3.2303 -2.4763 -2.4761 -2.4044 -2.4041 -2.0324 -2.0320 -1.7153 -1.7150 -1.5002 -1.5000 -1.2666 -1.2663 5.3002 5.3004 5.3076 5.3077 5.6089 5.6090 5.6447 5.6449 6.1281 6.1284 k = 0.0000 0.0000 0.1665 ( 13069 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2516 -23.2509 -23.2508 -23.0757 -23.0753 -23.0747 -23.0742 -23.0700 -23.0698 -23.0697 -23.0694 -10.9743 -10.9743 -10.7050 -10.7050 -7.9801 -7.9801 -7.4706 -7.4706 -6.4809 -6.4809 -6.4334 -6.4334 -4.1988 -4.1986 -4.0392 -4.0390 -3.8954 -3.8953 -3.8041 -3.8041 -3.2813 -3.2810 -3.2290 -3.2287 -2.4719 -2.4717 -2.4047 -2.4044 -2.0220 -2.0216 -1.7298 -1.7295 -1.4932 -1.4929 -1.2795 -1.2792 5.2986 5.2988 5.3101 5.3102 5.5959 5.5961 5.6295 5.6296 6.1363 6.1367 k = 0.0000 0.0000 0.1804 ( 13053 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2516 -23.2515 -23.2509 -23.2508 -23.0756 -23.0752 -23.0747 -23.0742 -23.0700 -23.0698 -23.0696 -23.0694 -10.9627 -10.9627 -10.7197 -10.7197 -7.9552 -7.9552 -7.4956 -7.4956 -6.4775 -6.4775 -6.4346 -6.4346 -4.1928 -4.1925 -4.0488 -4.0485 -3.8911 -3.8910 -3.8114 -3.8114 -3.2722 -3.2719 -3.2275 -3.2272 -2.4673 -2.4671 -2.4055 -2.4052 -2.0104 -2.0100 -1.7451 -1.7448 -1.4855 -1.4852 -1.2929 -1.2925 5.2980 5.2982 5.3122 5.3123 5.5844 5.5847 5.6144 5.6146 6.1452 6.1456 k = 0.0000 0.0000 0.1943 ( 13038 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2516 -23.2515 -23.2510 -23.2509 -23.0756 -23.0751 -23.0747 -23.0742 -23.0699 -23.0698 -23.0696 -23.0694 -10.9504 -10.9504 -10.7350 -10.7350 -7.9292 -7.9292 -7.5217 -7.5217 -6.4741 -6.4740 -6.4359 -6.4359 -4.1863 -4.1861 -4.0588 -4.0586 -3.8865 -3.8864 -3.8183 -3.8183 -3.2638 -3.2635 -3.2262 -3.2259 -2.4626 -2.4624 -2.4068 -2.4065 -1.9976 -1.9972 -1.7612 -1.7609 -1.4772 -1.4768 -1.3066 -1.3062 5.2983 5.2985 5.3139 5.3139 5.5743 5.5747 5.5998 5.6000 6.1556 6.1561 k = 0.0000 0.0000 0.2082 ( 13038 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2515 -23.2514 -23.2510 -23.2509 -23.0755 -23.0750 -23.0748 -23.0743 -23.0700 -23.0698 -23.0696 -23.0694 -10.9374 -10.9374 -10.7507 -10.7507 -7.9021 -7.9021 -7.5489 -7.5489 -6.4706 -6.4706 -6.4375 -6.4375 -4.1795 -4.1793 -4.0692 -4.0689 -3.8819 -3.8818 -3.8247 -3.8247 -3.2561 -3.2557 -3.2251 -3.2248 -2.4577 -2.4575 -2.4086 -2.4083 -1.9839 -1.9835 -1.7779 -1.7775 -1.4683 -1.4679 -1.3205 -1.3201 5.2994 5.2996 5.3150 5.3150 5.5654 5.5659 5.5861 5.5864 6.1683 6.1688 k = 0.0000 0.0000 0.2220 ( 13034 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2515 -23.2514 -23.2510 -23.2509 -23.0755 -23.0750 -23.0749 -23.0743 -23.0699 -23.0698 -23.0696 -23.0694 -10.9238 -10.9238 -10.7667 -10.7667 -7.8741 -7.8741 -7.5770 -7.5770 -6.4671 -6.4671 -6.4392 -6.4392 -4.1723 -4.1720 -4.0796 -4.0793 -3.8773 -3.8772 -3.8307 -3.8306 -3.2492 -3.2488 -3.2243 -3.2240 -2.4528 -2.4526 -2.4110 -2.4107 -1.9691 -1.9687 -1.7951 -1.7947 -1.4587 -1.4584 -1.3346 -1.3342 5.3013 5.3014 5.3158 5.3158 5.5576 5.5582 5.5736 5.5740 6.1837 6.1843 k = 0.0000 0.0000 0.2359 ( 13040 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2514 -23.2513 -23.2511 -23.2510 -23.0754 -23.0749 -23.0749 -23.0744 -23.0699 -23.0698 -23.0695 -23.0694 -10.9096 -10.9096 -10.7829 -10.7829 -7.8453 -7.8453 -7.6058 -7.6058 -6.4637 -6.4637 -6.4412 -6.4412 -4.1646 -4.1644 -4.0901 -4.0898 -3.8728 -3.8727 -3.8362 -3.8362 -3.2431 -3.2428 -3.2239 -3.2236 -2.4479 -2.4476 -2.4138 -2.4135 -1.9535 -1.9531 -1.8127 -1.8124 -1.4486 -1.4482 -1.3486 -1.3481 5.3036 5.3037 5.3162 5.3163 5.5510 5.5515 5.5627 5.5631 6.2023 6.2029 k = 0.0000 0.0000 0.2498 ( 13056 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2514 -23.2513 -23.2512 -23.2510 -23.0754 -23.0750 -23.0748 -23.0745 -23.0699 -23.0699 -23.0695 -23.0695 -10.8948 -10.8948 -10.7993 -10.7993 -7.8159 -7.8159 -7.6353 -7.6353 -6.4604 -6.4603 -6.4434 -6.4434 -4.1566 -4.1563 -4.1004 -4.1001 -3.8683 -3.8682 -3.8414 -3.8413 -3.2379 -3.2376 -3.2239 -3.2236 -2.4430 -2.4427 -2.4170 -2.4167 -1.9372 -1.9367 -1.8306 -1.8303 -1.4378 -1.4375 -1.3624 -1.3620 5.3062 5.3063 5.3162 5.3163 5.5456 5.5462 5.5537 5.5541 6.2242 6.2248 k = 0.0000 0.0000 0.2637 ( 13050 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2514 -23.2512 -23.2512 -23.2511 -23.0753 -23.0751 -23.0748 -23.0745 -23.0699 -23.0699 -23.0695 -23.0695 -10.8797 -10.8796 -10.8157 -10.8157 -7.7861 -7.7861 -7.6651 -7.6651 -6.4571 -6.4571 -6.4458 -6.4457 -4.1481 -4.1478 -4.1105 -4.1103 -3.8640 -3.8639 -3.8462 -3.8462 -3.2336 -3.2333 -3.2245 -3.2242 -2.4382 -2.4379 -2.4207 -2.4204 -1.9202 -1.9198 -1.8487 -1.8483 -1.4265 -1.4261 -1.3760 -1.3756 5.3089 5.3089 5.3157 5.3158 5.5417 5.5423 5.5467 5.5472 6.2495 6.2501 k = 0.0000 0.0000 0.2776 ( 13044 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2512 -23.2512 -23.2511 -23.0753 -23.0751 -23.0747 -23.0746 -23.0699 -23.0699 -23.0695 -23.0695 -10.8641 -10.8641 -10.8320 -10.8320 -7.7559 -7.7559 -7.6953 -7.6953 -6.4540 -6.4540 -6.4483 -6.4483 -4.1392 -4.1390 -4.1204 -4.1202 -3.8596 -3.8596 -3.8508 -3.8508 -3.2302 -3.2298 -3.2257 -3.2253 -2.4335 -2.4332 -2.4247 -2.4244 -1.9027 -1.9023 -1.8669 -1.8665 -1.4146 -1.4142 -1.3893 -1.3889 5.3113 5.3113 5.3148 5.3149 5.5397 5.5403 5.5421 5.5426 6.2781 6.2787 k = 0.0000 0.0000 0.2914 ( 13042 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0746 -23.0746 -23.0699 -23.0699 -23.0695 -23.0695 -10.8481 -10.8481 -10.8481 -10.8481 -7.7256 -7.7256 -7.7256 -7.7256 -6.4511 -6.4511 -6.4511 -6.4511 -4.1300 -4.1300 -4.1297 -4.1297 -3.8553 -3.8553 -3.8552 -3.8552 -3.2276 -3.2276 -3.2272 -3.2272 -2.4290 -2.4290 -2.4287 -2.4287 -1.8849 -1.8849 -1.8845 -1.8845 -1.4022 -1.4022 -1.4018 -1.4018 5.3133 5.3133 5.3133 5.3133 5.5398 5.5398 5.5403 5.5403 6.3097 6.3097 k = 0.0000 0.0000 0.2914 ( 13042 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0746 -23.0746 -23.0699 -23.0699 -23.0695 -23.0695 -10.8481 -10.8481 -10.8481 -10.8481 -7.7256 -7.7256 -7.7256 -7.7256 -6.4511 -6.4511 -6.4511 -6.4511 -4.1300 -4.1300 -4.1297 -4.1297 -3.8553 -3.8553 -3.8552 -3.8552 -3.2276 -3.2276 -3.2272 -3.2272 -2.4290 -2.4290 -2.4287 -2.4287 -1.8849 -1.8849 -1.8845 -1.8845 -1.4022 -1.4022 -1.4018 -1.4018 5.3133 5.3133 5.3133 5.3133 5.5398 5.5398 5.5403 5.5403 6.3097 6.3097 k = 0.0143-0.0000 0.2914 ( 13042 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2511 -23.0752 -23.0752 -23.0747 -23.0746 -23.0699 -23.0699 -23.0695 -23.0695 -10.8479 -10.8479 -10.8479 -10.8479 -7.7256 -7.7256 -7.7256 -7.7256 -6.4509 -6.4509 -6.4509 -6.4509 -4.1317 -4.1317 -4.1314 -4.1314 -3.8548 -3.8547 -3.8547 -3.8547 -3.2273 -3.2273 -3.2270 -3.2270 -2.4293 -2.4293 -2.4290 -2.4290 -1.8860 -1.8860 -1.8856 -1.8856 -1.4018 -1.4018 -1.4014 -1.4013 5.3135 5.3135 5.3135 5.3135 5.5409 5.5409 5.5415 5.5415 6.3108 6.3108 k = 0.0286-0.0000 0.2914 ( 13034 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2511 -23.0752 -23.0751 -23.0747 -23.0746 -23.0700 -23.0698 -23.0695 -23.0694 -10.8471 -10.8471 -10.8471 -10.8471 -7.7254 -7.7254 -7.7254 -7.7254 -6.4504 -6.4504 -6.4504 -6.4504 -4.1366 -4.1366 -4.1364 -4.1363 -3.8532 -3.8532 -3.8531 -3.8531 -3.2267 -3.2267 -3.2264 -3.2263 -2.4302 -2.4301 -2.4299 -2.4299 -1.8895 -1.8894 -1.8891 -1.8890 -1.4004 -1.4004 -1.4000 -1.4000 5.3141 5.3141 5.3142 5.3142 5.5443 5.5444 5.5449 5.5449 6.3139 6.3140 k = 0.0429-0.0000 0.2914 ( 13042 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2511 -23.0753 -23.0751 -23.0747 -23.0746 -23.0700 -23.0698 -23.0696 -23.0694 -10.8459 -10.8459 -10.8459 -10.8458 -7.7251 -7.7251 -7.7251 -7.7251 -6.4495 -6.4495 -6.4495 -6.4495 -4.1447 -4.1447 -4.1445 -4.1444 -3.8507 -3.8506 -3.8506 -3.8506 -3.2257 -3.2257 -3.2253 -3.2253 -2.4317 -2.4316 -2.4314 -2.4314 -1.8951 -1.8950 -1.8947 -1.8947 -1.3983 -1.3983 -1.3979 -1.3979 5.3151 5.3152 5.3152 5.3152 5.5499 5.5500 5.5505 5.5505 6.3191 6.3193 k = 0.0571-0.0000 0.2914 ( 13038 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2511 -23.0753 -23.0751 -23.0748 -23.0746 -23.0700 -23.0698 -23.0696 -23.0694 -10.8441 -10.8441 -10.8441 -10.8441 -7.7247 -7.7247 -7.7247 -7.7247 -6.4483 -6.4483 -6.4483 -6.4483 -4.1558 -4.1557 -4.1556 -4.1555 -3.8472 -3.8471 -3.8471 -3.8471 -3.2243 -3.2243 -3.2240 -3.2240 -2.4338 -2.4337 -2.4335 -2.4335 -1.9028 -1.9027 -1.9024 -1.9023 -1.3954 -1.3954 -1.3950 -1.3949 5.3167 5.3168 5.3168 5.3168 5.5575 5.5576 5.5581 5.5582 6.3264 6.3266 k = 0.0714-0.0000 0.2914 ( 13020 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2511 -23.0753 -23.0751 -23.0748 -23.0745 -23.0700 -23.0698 -23.0696 -23.0694 -10.8418 -10.8418 -10.8418 -10.8418 -7.7241 -7.7241 -7.7241 -7.7241 -6.4468 -6.4468 -6.4467 -6.4467 -4.1695 -4.1694 -4.1693 -4.1692 -3.8429 -3.8429 -3.8429 -3.8428 -3.2228 -3.2228 -3.2225 -3.2224 -2.4366 -2.4365 -2.4363 -2.4362 -1.9124 -1.9123 -1.9120 -1.9120 -1.3918 -1.3918 -1.3914 -1.3914 5.3188 5.3189 5.3189 5.3189 5.5670 5.5672 5.5677 5.5677 6.3357 6.3360 k = 0.0857-0.0000 0.2914 ( 13034 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2511 -23.0754 -23.0751 -23.0748 -23.0745 -23.0701 -23.0698 -23.0696 -23.0694 -10.8391 -10.8391 -10.8391 -10.8391 -7.7235 -7.7235 -7.7235 -7.7235 -6.4450 -6.4449 -6.4449 -6.4449 -4.1856 -4.1856 -4.1854 -4.1853 -3.8380 -3.8379 -3.8379 -3.8379 -3.2211 -3.2211 -3.2208 -3.2208 -2.4400 -2.4398 -2.4397 -2.4396 -1.9238 -1.9237 -1.9234 -1.9234 -1.3876 -1.3876 -1.3873 -1.3872 5.3214 5.3215 5.3215 5.3215 5.5783 5.5785 5.5789 5.5790 6.3470 6.3473 k = 0.1000-0.0000 0.2914 ( 13042 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0754 -23.0751 -23.0749 -23.0745 -23.0701 -23.0698 -23.0697 -23.0694 -10.8360 -10.8359 -10.8359 -10.8359 -7.7228 -7.7228 -7.7228 -7.7228 -6.4428 -6.4428 -6.4427 -6.4427 -4.2038 -4.2037 -4.2036 -4.2035 -3.8324 -3.8323 -3.8323 -3.8322 -3.2195 -3.2195 -3.2192 -3.2192 -2.4440 -2.4438 -2.4437 -2.4436 -1.9369 -1.9367 -1.9365 -1.9365 -1.3830 -1.3830 -1.3827 -1.3826 5.3245 5.3246 5.3246 5.3247 5.5910 5.5913 5.5917 5.5917 6.3602 6.3605 k = 0.1143-0.0000 0.2914 ( 13038 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2513 -23.2512 -23.0754 -23.0751 -23.0749 -23.0745 -23.0701 -23.0698 -23.0697 -23.0694 -10.8324 -10.8323 -10.8323 -10.8323 -7.7220 -7.7220 -7.7220 -7.7220 -6.4404 -6.4403 -6.4403 -6.4403 -4.2238 -4.2237 -4.2236 -4.2235 -3.8262 -3.8261 -3.8261 -3.8260 -3.2180 -3.2180 -3.2177 -3.2177 -2.4486 -2.4485 -2.4484 -2.4482 -1.9513 -1.9512 -1.9509 -1.9509 -1.3780 -1.3780 -1.3777 -1.3776 5.3280 5.3282 5.3282 5.3283 5.6051 5.6054 5.6058 5.6058 6.3752 6.3756 k = 0.1286-0.0000 0.2914 ( 13028 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2513 -23.2512 -23.0755 -23.0750 -23.0749 -23.0745 -23.0702 -23.0697 -23.0697 -23.0694 -10.8284 -10.8283 -10.8283 -10.8283 -7.7212 -7.7212 -7.7212 -7.7212 -6.4377 -6.4377 -6.4376 -6.4376 -4.2452 -4.2452 -4.2451 -4.2449 -3.8194 -3.8194 -3.8194 -3.8193 -3.2168 -3.2167 -3.2165 -3.2164 -2.4540 -2.4538 -2.4537 -2.4535 -1.9669 -1.9668 -1.9666 -1.9665 -1.3727 -1.3727 -1.3724 -1.3723 5.3320 5.3321 5.3321 5.3322 5.6204 5.6207 5.6210 5.6211 6.3919 6.3923 k = 0.1429-0.0000 0.2914 ( 13018 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2513 -23.2512 -23.0755 -23.0750 -23.0750 -23.0745 -23.0702 -23.0697 -23.0697 -23.0694 -10.8240 -10.8240 -10.8240 -10.8240 -7.7203 -7.7203 -7.7203 -7.7203 -6.4348 -6.4348 -6.4347 -6.4347 -4.2679 -4.2678 -4.2678 -4.2676 -3.8122 -3.8121 -3.8121 -3.8121 -3.2159 -3.2158 -3.2156 -3.2155 -2.4599 -2.4598 -2.4597 -2.4595 -1.9836 -1.9834 -1.9832 -1.9832 -1.3672 -1.3672 -1.3670 -1.3669 5.3361 5.3363 5.3363 5.3364 5.6366 5.6370 5.6372 5.6373 6.4103 6.4107 k = 0.1571-0.0000 0.2914 ( 13014 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2514 -23.2513 -23.2513 -23.2512 -23.0755 -23.0750 -23.0750 -23.0745 -23.0702 -23.0698 -23.0697 -23.0694 -10.8193 -10.8192 -10.8192 -10.8192 -7.7194 -7.7194 -7.7194 -7.7194 -6.4317 -6.4316 -6.4316 -6.4316 -4.2914 -4.2914 -4.2913 -4.2912 -3.8045 -3.8045 -3.8045 -3.8044 -3.2155 -3.2154 -3.2152 -3.2152 -2.4665 -2.4663 -2.4663 -2.4661 -2.0011 -2.0009 -2.0007 -2.0007 -1.3617 -1.3617 -1.3614 -1.3613 5.3404 5.3405 5.3405 5.3407 5.6537 5.6540 5.6543 5.6544 6.4301 6.4306 k = 0.1714-0.0000 0.2914 ( 13024 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2514 -23.2514 -23.2513 -23.2512 -23.0756 -23.0751 -23.0750 -23.0746 -23.0703 -23.0698 -23.0697 -23.0694 -10.8142 -10.8142 -10.8142 -10.8142 -7.7184 -7.7184 -7.7184 -7.7184 -6.4284 -6.4284 -6.4283 -6.4283 -4.3157 -4.3156 -4.3156 -4.3154 -3.7964 -3.7964 -3.7964 -3.7963 -3.2157 -3.2156 -3.2154 -3.2153 -2.4737 -2.4735 -2.4735 -2.4733 -2.0192 -2.0190 -2.0189 -2.0188 -1.3561 -1.3561 -1.3558 -1.3557 5.3446 5.3447 5.3447 5.3449 5.6714 5.6718 5.6720 5.6721 6.4512 6.4517 k = 0.1857-0.0000 0.2914 ( 13032 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2514 -23.2514 -23.2514 -23.2512 -23.0756 -23.0751 -23.0750 -23.0746 -23.0703 -23.0699 -23.0697 -23.0694 -10.8089 -10.8089 -10.8089 -10.8089 -7.7175 -7.7175 -7.7175 -7.7175 -6.4250 -6.4249 -6.4249 -6.4249 -4.3403 -4.3402 -4.3402 -4.3401 -3.7879 -3.7878 -3.7878 -3.7877 -3.2165 -3.2164 -3.2162 -3.2161 -2.4815 -2.4813 -2.4812 -2.4811 -2.0377 -2.0376 -2.0374 -2.0374 -1.3505 -1.3505 -1.3503 -1.3502 5.3485 5.3486 5.3486 5.3488 5.6896 5.6900 5.6902 5.6903 6.4733 6.4739 k = 0.2000-0.0000 0.2914 ( 13030 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2514 -23.2514 -23.2514 -23.2513 -23.0757 -23.0752 -23.0750 -23.0746 -23.0703 -23.0699 -23.0697 -23.0694 -10.8034 -10.8034 -10.8034 -10.8034 -7.7165 -7.7165 -7.7165 -7.7165 -6.4214 -6.4214 -6.4213 -6.4213 -4.3651 -4.3650 -4.3650 -4.3649 -3.7789 -3.7789 -3.7789 -3.7788 -3.2180 -3.2179 -3.2177 -3.2176 -2.4898 -2.4896 -2.4896 -2.4894 -2.0565 -2.0564 -2.0562 -2.0562 -1.3450 -1.3450 -1.3448 -1.3447 5.3520 5.3521 5.3522 5.3523 5.7082 5.7086 5.7087 5.7088 6.4962 6.4967 k = 0.2143-0.0000 0.2914 ( 13048 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2515 -23.2515 -23.2515 -23.2513 -23.0757 -23.0753 -23.0751 -23.0747 -23.0704 -23.0700 -23.0697 -23.0695 -10.7977 -10.7976 -10.7976 -10.7976 -7.7156 -7.7156 -7.7156 -7.7156 -6.4178 -6.4177 -6.4177 -6.4176 -4.3898 -4.3898 -4.3898 -4.3896 -3.7696 -3.7696 -3.7696 -3.7695 -3.2203 -3.2201 -3.2200 -3.2199 -2.4987 -2.4984 -2.4984 -2.4982 -2.0754 -2.0753 -2.0752 -2.0751 -1.3396 -1.3396 -1.3394 -1.3393 5.3550 5.3550 5.3551 5.3553 5.7270 5.7274 5.7275 5.7276 6.5195 6.5199 k = 0.2286-0.0000 0.2914 ( 13050 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2515 -23.2515 -23.2515 -23.2513 -23.0758 -23.0753 -23.0751 -23.0747 -23.0704 -23.0700 -23.0697 -23.0695 -10.7918 -10.7918 -10.7917 -10.7917 -7.7147 -7.7147 -7.7147 -7.7147 -6.4141 -6.4140 -6.4140 -6.4139 -4.4143 -4.4143 -4.4143 -4.4141 -3.7600 -3.7600 -3.7600 -3.7599 -3.2233 -3.2231 -3.2230 -3.2229 -2.5079 -2.5076 -2.5076 -2.5074 -2.0943 -2.0941 -2.0940 -2.0940 -1.3343 -1.3343 -1.3342 -1.3341 5.3572 5.3572 5.3573 5.3575 5.7458 5.7463 5.7464 5.7464 6.5428 6.5431 k = 0.2429-0.0000 0.2914 ( 13044 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2515 -23.2515 -23.2515 -23.2514 -23.0758 -23.0754 -23.0751 -23.0747 -23.0704 -23.0700 -23.0697 -23.0695 -10.7858 -10.7858 -10.7858 -10.7858 -7.7139 -7.7139 -7.7139 -7.7139 -6.4104 -6.4103 -6.4103 -6.4102 -4.4384 -4.4383 -4.4383 -4.4382 -3.7500 -3.7500 -3.7500 -3.7499 -3.2271 -3.2270 -3.2268 -3.2267 -2.5175 -2.5172 -2.5172 -2.5170 -2.1129 -2.1127 -2.1126 -2.1126 -1.3293 -1.3292 -1.3291 -1.3290 5.3587 5.3587 5.3588 5.3590 5.7646 5.7651 5.7652 5.7652 6.5655 6.5657 k = 0.2571-0.0000 0.2914 ( 13046 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2516 -23.2515 -23.2515 -23.2514 -23.0759 -23.0754 -23.0751 -23.0747 -23.0704 -23.0701 -23.0697 -23.0695 -10.7798 -10.7797 -10.7797 -10.7797 -7.7131 -7.7131 -7.7131 -7.7131 -6.4066 -6.4066 -6.4065 -6.4065 -4.4618 -4.4618 -4.4618 -4.4616 -3.7398 -3.7398 -3.7398 -3.7396 -3.2318 -3.2316 -3.2315 -3.2314 -2.5273 -2.5271 -2.5271 -2.5269 -2.1311 -2.1310 -2.1309 -2.1308 -1.3244 -1.3244 -1.3242 -1.3242 5.3593 5.3593 5.3594 5.3596 5.7833 5.7838 5.7838 5.7838 6.5870 6.5872 k = 0.2714-0.0000 0.2914 ( 13036 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2516 -23.2516 -23.2515 -23.2514 -23.0759 -23.0755 -23.0751 -23.0747 -23.0705 -23.0701 -23.0697 -23.0695 -10.7737 -10.7737 -10.7737 -10.7737 -7.7124 -7.7124 -7.7124 -7.7124 -6.4030 -6.4029 -6.4029 -6.4028 -4.4845 -4.4845 -4.4845 -4.4843 -3.7293 -3.7293 -3.7292 -3.7291 -3.2372 -3.2370 -3.2369 -3.2368 -2.5374 -2.5371 -2.5371 -2.5369 -2.1489 -2.1487 -2.1486 -2.1486 -1.3197 -1.3197 -1.3196 -1.3195 5.3590 5.3590 5.3591 5.3593 5.8018 5.8022 5.8022 5.8023 6.6069 6.6070 k = 0.2857-0.0000 0.2914 ( 13050 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2516 -23.2516 -23.2516 -23.2514 -23.0759 -23.0755 -23.0751 -23.0748 -23.0705 -23.0701 -23.0697 -23.0695 -10.7677 -10.7677 -10.7677 -10.7677 -7.7118 -7.7118 -7.7117 -7.7117 -6.3993 -6.3993 -6.3992 -6.3992 -4.5063 -4.5063 -4.5062 -4.5061 -3.7185 -3.7185 -3.7185 -3.7184 -3.2434 -3.2432 -3.2431 -3.2430 -2.5475 -2.5472 -2.5472 -2.5471 -2.1660 -2.1658 -2.1658 -2.1657 -1.3153 -1.3153 -1.3152 -1.3152 5.3579 5.3579 5.3580 5.3582 5.8199 5.8203 5.8203 5.8204 6.6245 6.6246 k = 0.3000-0.0000 0.2914 ( 13058 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2516 -23.2516 -23.2516 -23.2515 -23.0760 -23.0756 -23.0751 -23.0748 -23.0705 -23.0702 -23.0697 -23.0695 -10.7618 -10.7618 -10.7618 -10.7618 -7.7112 -7.7112 -7.7112 -7.7112 -6.3958 -6.3957 -6.3957 -6.3957 -4.5271 -4.5270 -4.5270 -4.5269 -3.7076 -3.7076 -3.7076 -3.7075 -3.2503 -3.2501 -3.2500 -3.2499 -2.5576 -2.5573 -2.5573 -2.5572 -2.1824 -2.1822 -2.1822 -2.1821 -1.3112 -1.3112 -1.3111 -1.3110 5.3559 5.3560 5.3561 5.3562 5.8376 5.8380 5.8380 5.8381 6.6394 6.6395 k = 0.3143-0.0000 0.2914 ( 13066 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2515 -23.0760 -23.0757 -23.0752 -23.0749 -23.0705 -23.0702 -23.0697 -23.0695 -10.7560 -10.7560 -10.7560 -10.7560 -7.7107 -7.7107 -7.7107 -7.7107 -6.3924 -6.3923 -6.3923 -6.3923 -4.5467 -4.5467 -4.5467 -4.5466 -3.6966 -3.6966 -3.6966 -3.6964 -3.2578 -3.2576 -3.2576 -3.2574 -2.5676 -2.5673 -2.5673 -2.5672 -2.1980 -2.1978 -2.1978 -2.1977 -1.3073 -1.3073 -1.3072 -1.3071 5.3533 5.3533 5.3534 5.3536 5.8549 5.8553 5.8553 5.8554 6.6513 6.6515 k = 0.3286-0.0000 0.2914 ( 13066 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2515 -23.0760 -23.0757 -23.0752 -23.0749 -23.0705 -23.0703 -23.0697 -23.0696 -10.7504 -10.7504 -10.7504 -10.7504 -7.7103 -7.7103 -7.7103 -7.7103 -6.3892 -6.3891 -6.3891 -6.3890 -4.5651 -4.5651 -4.5651 -4.5650 -3.6855 -3.6855 -3.6855 -3.6853 -3.2660 -3.2657 -3.2657 -3.2656 -2.5774 -2.5771 -2.5771 -2.5770 -2.2126 -2.2125 -2.2125 -2.2124 -1.3036 -1.3036 -1.3035 -1.3035 5.3500 5.3501 5.3502 5.3503 5.8717 5.8720 5.8720 5.8721 6.6600 6.6603 k = 0.3429-0.0000 0.2914 ( 13058 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2515 -23.0761 -23.0758 -23.0752 -23.0749 -23.0705 -23.0703 -23.0697 -23.0696 -10.7451 -10.7451 -10.7450 -10.7450 -7.7100 -7.7100 -7.7099 -7.7099 -6.3861 -6.3860 -6.3860 -6.3860 -4.5823 -4.5823 -4.5822 -4.5822 -3.6744 -3.6743 -3.6743 -3.6742 -3.2746 -3.2743 -3.2743 -3.2742 -2.5868 -2.5866 -2.5866 -2.5865 -2.2263 -2.2262 -2.2262 -2.2261 -1.3003 -1.3003 -1.3002 -1.3001 5.3463 5.3464 5.3464 5.3466 5.8879 5.8882 5.8882 5.8883 6.6656 6.6659 k = 0.3571-0.0000 0.2914 ( 13042 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2516 -23.0761 -23.0758 -23.0752 -23.0749 -23.0705 -23.0703 -23.0697 -23.0695 -10.7400 -10.7400 -10.7400 -10.7400 -7.7097 -7.7097 -7.7097 -7.7097 -6.3832 -6.3832 -6.3831 -6.3831 -4.5981 -4.5981 -4.5980 -4.5980 -3.6633 -3.6633 -3.6633 -3.6631 -3.2835 -3.2833 -3.2832 -3.2831 -2.5959 -2.5956 -2.5956 -2.5955 -2.2389 -2.2388 -2.2388 -2.2387 -1.2972 -1.2972 -1.2971 -1.2971 5.3422 5.3423 5.3424 5.3425 5.9034 5.9037 5.9037 5.9038 6.6683 6.6685 k = 0.3714-0.0000 0.2914 ( 13050 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2516 -23.0761 -23.0759 -23.0752 -23.0750 -23.0705 -23.0703 -23.0697 -23.0696 -10.7353 -10.7353 -10.7352 -10.7352 -7.7095 -7.7095 -7.7095 -7.7095 -6.3806 -6.3805 -6.3805 -6.3804 -4.6125 -4.6125 -4.6124 -4.6124 -3.6525 -3.6524 -3.6524 -3.6522 -3.2927 -3.2925 -3.2924 -3.2923 -2.6044 -2.6041 -2.6041 -2.6041 -2.2505 -2.2503 -2.2503 -2.2503 -1.2944 -1.2944 -1.2943 -1.2943 5.3380 5.3380 5.3381 5.3382 5.9182 5.9184 5.9184 5.9186 6.6684 6.6686 k = 0.3857-0.0000 0.2914 ( 13060 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2517 -23.2517 -23.2516 -23.0761 -23.0759 -23.0752 -23.0750 -23.0706 -23.0704 -23.0697 -23.0696 -10.7309 -10.7309 -10.7309 -10.7309 -7.7093 -7.7093 -7.7093 -7.7093 -6.3782 -6.3781 -6.3781 -6.3780 -4.6254 -4.6254 -4.6254 -4.6253 -3.6419 -3.6419 -3.6418 -3.6417 -3.3020 -3.3017 -3.3016 -3.3015 -2.6122 -2.6120 -2.6120 -2.6120 -2.2609 -2.2608 -2.2607 -2.2607 -1.2919 -1.2919 -1.2918 -1.2918 5.3337 5.3337 5.3338 5.3339 5.9321 5.9323 5.9323 5.9324 6.6665 6.6666 k = 0.4000-0.0000 0.2914 ( 13078 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2517 -23.0762 -23.0760 -23.0752 -23.0751 -23.0706 -23.0704 -23.0697 -23.0696 -10.7270 -10.7269 -10.7269 -10.7269 -7.7092 -7.7092 -7.7092 -7.7092 -6.3760 -6.3759 -6.3759 -6.3758 -4.6369 -4.6369 -4.6369 -4.6368 -3.6318 -3.6318 -3.6317 -3.6315 -3.3111 -3.3109 -3.3107 -3.3106 -2.6194 -2.6192 -2.6192 -2.6192 -2.2701 -2.2700 -2.2700 -2.2699 -1.2897 -1.2897 -1.2896 -1.2896 5.3295 5.3295 5.3296 5.3297 5.9449 5.9451 5.9452 5.9453 6.6630 6.6631 k = 0.4143-0.0000 0.2914 ( 13092 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2517 -23.0762 -23.0760 -23.0752 -23.0751 -23.0706 -23.0705 -23.0697 -23.0696 -10.7234 -10.7234 -10.7234 -10.7234 -7.7092 -7.7092 -7.7091 -7.7091 -6.3741 -6.3740 -6.3740 -6.3739 -4.6469 -4.6468 -4.6468 -4.6468 -3.6223 -3.6222 -3.6222 -3.6220 -3.3198 -3.3196 -3.3195 -3.3194 -2.6258 -2.6256 -2.6256 -2.6256 -2.2781 -2.2780 -2.2780 -2.2780 -1.2877 -1.2877 -1.2877 -1.2877 5.3255 5.3256 5.3256 5.3257 5.9566 5.9568 5.9568 5.9569 6.6585 6.6585 k = 0.4286-0.0000 0.2914 ( 13092 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2517 -23.0762 -23.0761 -23.0752 -23.0751 -23.0706 -23.0705 -23.0697 -23.0696 -10.7204 -10.7204 -10.7204 -10.7204 -7.7091 -7.7091 -7.7091 -7.7091 -6.3724 -6.3724 -6.3723 -6.3723 -4.6553 -4.6553 -4.6553 -4.6552 -3.6136 -3.6136 -3.6135 -3.6133 -3.3280 -3.3278 -3.3276 -3.3275 -2.6313 -2.6312 -2.6312 -2.6311 -2.2849 -2.2849 -2.2848 -2.2848 -1.2861 -1.2861 -1.2861 -1.2860 5.3220 5.3220 5.3221 5.3221 5.9670 5.9671 5.9671 5.9672 6.6535 6.6535 k = 0.4429-0.0000 0.2914 ( 13084 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2517 -23.0762 -23.0761 -23.0752 -23.0751 -23.0706 -23.0705 -23.0697 -23.0696 -10.7179 -10.7179 -10.7179 -10.7179 -7.7091 -7.7091 -7.7091 -7.7091 -6.3711 -6.3710 -6.3710 -6.3709 -4.6623 -4.6622 -4.6622 -4.6622 -3.6059 -3.6059 -3.6058 -3.6057 -3.3352 -3.3351 -3.3348 -3.3348 -2.6360 -2.6358 -2.6358 -2.6358 -2.2905 -2.2905 -2.2904 -2.2904 -1.2848 -1.2847 -1.2847 -1.2847 5.3189 5.3189 5.3190 5.3190 5.9758 5.9759 5.9759 5.9760 6.6486 6.6486 k = 0.4571-0.0000 0.2914 ( 13072 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2517 -23.0762 -23.0761 -23.0752 -23.0751 -23.0706 -23.0705 -23.0697 -23.0696 -10.7159 -10.7159 -10.7159 -10.7159 -7.7091 -7.7091 -7.7091 -7.7091 -6.3700 -6.3700 -6.3699 -6.3699 -4.6676 -4.6676 -4.6676 -4.6676 -3.5996 -3.5996 -3.5994 -3.5993 -3.3413 -3.3412 -3.3409 -3.3408 -2.6396 -2.6395 -2.6394 -2.6394 -2.2949 -2.2949 -2.2948 -2.2948 -1.2837 -1.2837 -1.2837 -1.2837 5.3164 5.3164 5.3165 5.3165 5.9828 5.9829 5.9830 5.9830 6.6442 6.6443 k = 0.4714-0.0000 0.2914 ( 13080 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2518 -23.2518 -23.2517 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0705 -23.0697 -23.0696 -10.7145 -10.7145 -10.7145 -10.7145 -7.7091 -7.7091 -7.7091 -7.7091 -6.3693 -6.3692 -6.3691 -6.3691 -4.6715 -4.6715 -4.6715 -4.6715 -3.5948 -3.5948 -3.5946 -3.5946 -3.3459 -3.3458 -3.3455 -3.3454 -2.6422 -2.6421 -2.6421 -2.6421 -2.2980 -2.2980 -2.2979 -2.2979 -1.2830 -1.2830 -1.2830 -1.2829 5.3146 5.3146 5.3146 5.3146 5.9880 5.9881 5.9881 5.9882 6.6408 6.6408 k = 0.4857-0.0000 0.2914 ( 13084 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0706 -23.0697 -23.0696 -10.7136 -10.7136 -10.7136 -10.7136 -7.7091 -7.7091 -7.7091 -7.7091 -6.3688 -6.3688 -6.3687 -6.3687 -4.6738 -4.6738 -4.6738 -4.6738 -3.5918 -3.5918 -3.5917 -3.5916 -3.3487 -3.3487 -3.3483 -3.3483 -2.6438 -2.6438 -2.6437 -2.6437 -2.2999 -2.2999 -2.2998 -2.2998 -1.2825 -1.2825 -1.2825 -1.2825 5.3134 5.3135 5.3135 5.3135 5.9912 5.9912 5.9913 5.9913 6.6387 6.6387 k = 0.5000-0.0000 0.2914 ( 13080 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0706 -23.0697 -23.0697 -10.7133 -10.7133 -10.7133 -10.7133 -7.7091 -7.7091 -7.7091 -7.7091 -6.3686 -6.3686 -6.3685 -6.3685 -4.6746 -4.6746 -4.6746 -4.6746 -3.5908 -3.5908 -3.5906 -3.5906 -3.3497 -3.3497 -3.3493 -3.3493 -2.6443 -2.6443 -2.6442 -2.6442 -2.3005 -2.3005 -2.3004 -2.3004 -1.2824 -1.2824 -1.2824 -1.2824 5.3131 5.3131 5.3131 5.3131 5.9923 5.9923 5.9924 5.9924 6.6379 6.6379 k = 0.5000-0.0000 0.2914 ( 13080 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0706 -23.0697 -23.0697 -10.7133 -10.7133 -10.7133 -10.7133 -7.7091 -7.7091 -7.7091 -7.7091 -6.3686 -6.3686 -6.3685 -6.3685 -4.6746 -4.6746 -4.6746 -4.6746 -3.5908 -3.5908 -3.5906 -3.5906 -3.3497 -3.3497 -3.3493 -3.3493 -2.6443 -2.6443 -2.6442 -2.6442 -2.3005 -2.3005 -2.3004 -2.3004 -1.2824 -1.2824 -1.2824 -1.2824 5.3131 5.3131 5.3131 5.3131 5.9923 5.9923 5.9924 5.9924 6.6379 6.6379 k = 0.5000 0.0141 0.2914 ( 13088 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0706 -23.0697 -23.0697 -10.7133 -10.7133 -10.7132 -10.7132 -7.7090 -7.7090 -7.7090 -7.7090 -6.3694 -6.3694 -6.3692 -6.3692 -4.6753 -4.6753 -4.6752 -4.6752 -3.5894 -3.5894 -3.5891 -3.5891 -3.3500 -3.3500 -3.3496 -3.3496 -2.6440 -2.6440 -2.6439 -2.6439 -2.3003 -2.3003 -2.3002 -2.3002 -1.2825 -1.2825 -1.2825 -1.2825 5.3133 5.3133 5.3133 5.3133 5.9941 5.9941 5.9942 5.9942 6.6393 6.6393 k = 0.5000 0.0281 0.2914 ( 13088 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0706 -23.0697 -23.0697 -10.7130 -10.7130 -10.7130 -10.7130 -7.7086 -7.7086 -7.7086 -7.7086 -6.3715 -6.3715 -6.3714 -6.3714 -4.6772 -4.6772 -4.6772 -4.6772 -3.5850 -3.5850 -3.5848 -3.5848 -3.3509 -3.3509 -3.3505 -3.3505 -2.6433 -2.6433 -2.6431 -2.6431 -2.2998 -2.2998 -2.2997 -2.2997 -1.2830 -1.2830 -1.2829 -1.2829 5.3138 5.3138 5.3138 5.3138 5.9995 5.9995 5.9996 5.9996 6.6434 6.6434 k = 0.5000 0.0422 0.2914 ( 13080 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0706 -23.0697 -23.0697 -10.7125 -10.7125 -10.7125 -10.7125 -7.7080 -7.7080 -7.7079 -7.7079 -6.3751 -6.3751 -6.3750 -6.3750 -4.6804 -4.6804 -4.6804 -4.6804 -3.5779 -3.5779 -3.5776 -3.5776 -3.3524 -3.3524 -3.3520 -3.3520 -2.6420 -2.6420 -2.6418 -2.6418 -2.2988 -2.2988 -2.2988 -2.2988 -1.2837 -1.2837 -1.2837 -1.2837 5.3147 5.3147 5.3147 5.3147 6.0085 6.0085 6.0087 6.0087 6.6502 6.6502 k = 0.5000 0.0562 0.2914 ( 13064 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0762 -23.0762 -23.0752 -23.0752 -23.0705 -23.0705 -23.0696 -23.0696 -10.7119 -10.7119 -10.7119 -10.7119 -7.7071 -7.7071 -7.7071 -7.7071 -6.3800 -6.3800 -6.3799 -6.3799 -4.6848 -4.6848 -4.6847 -4.6847 -3.5682 -3.5682 -3.5680 -3.5680 -3.3542 -3.3542 -3.3538 -3.3538 -2.6402 -2.6402 -2.6401 -2.6401 -2.2976 -2.2976 -2.2975 -2.2975 -1.2847 -1.2847 -1.2846 -1.2846 5.3160 5.3160 5.3161 5.3161 6.0210 6.0210 6.0211 6.0211 6.6596 6.6596 k = 0.5000 0.0703 0.2914 ( 13072 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0762 -23.0762 -23.0752 -23.0752 -23.0705 -23.0705 -23.0696 -23.0696 -10.7111 -10.7111 -10.7111 -10.7111 -7.7060 -7.7060 -7.7059 -7.7059 -6.3862 -6.3862 -6.3861 -6.3861 -4.6901 -4.6901 -4.6901 -4.6901 -3.5564 -3.5564 -3.5562 -3.5562 -3.3562 -3.3562 -3.3558 -3.3558 -2.6380 -2.6380 -2.6378 -2.6378 -2.2961 -2.2961 -2.2960 -2.2960 -1.2859 -1.2859 -1.2858 -1.2858 5.3178 5.3178 5.3179 5.3179 6.0369 6.0369 6.0370 6.0370 6.6714 6.6714 k = 0.5000 0.0844 0.2914 ( 13076 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0706 -23.0697 -23.0697 -10.7101 -10.7101 -10.7101 -10.7101 -7.7047 -7.7047 -7.7046 -7.7046 -6.3936 -6.3936 -6.3935 -6.3935 -4.6964 -4.6964 -4.6964 -4.6964 -3.5429 -3.5429 -3.5427 -3.5427 -3.3581 -3.3581 -3.3577 -3.3577 -2.6354 -2.6354 -2.6352 -2.6352 -2.2944 -2.2944 -2.2943 -2.2943 -1.2872 -1.2872 -1.2872 -1.2872 5.3202 5.3202 5.3203 5.3203 6.0559 6.0559 6.0561 6.0561 6.6854 6.6854 k = 0.5000 0.0984 0.2914 ( 13076 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0706 -23.0697 -23.0697 -10.7090 -10.7090 -10.7090 -10.7090 -7.7031 -7.7031 -7.7031 -7.7031 -6.4021 -6.4021 -6.4019 -6.4019 -4.7034 -4.7034 -4.7034 -4.7034 -3.5283 -3.5283 -3.5281 -3.5281 -3.3595 -3.3595 -3.3591 -3.3591 -2.6325 -2.6325 -2.6323 -2.6323 -2.2925 -2.2925 -2.2925 -2.2925 -1.2887 -1.2887 -1.2887 -1.2887 5.3231 5.3231 5.3232 5.3232 6.0781 6.0781 6.0783 6.0783 6.7013 6.7013 k = 0.5000 0.1125 0.2914 ( 13060 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0762 -23.0762 -23.0752 -23.0752 -23.0705 -23.0705 -23.0696 -23.0696 -10.7078 -10.7078 -10.7078 -10.7078 -7.7014 -7.7014 -7.7014 -7.7014 -6.4115 -6.4115 -6.4113 -6.4113 -4.7111 -4.7111 -4.7110 -4.7110 -3.5135 -3.5135 -3.5132 -3.5132 -3.3598 -3.3598 -3.3594 -3.3594 -2.6292 -2.6292 -2.6290 -2.6290 -2.2906 -2.2906 -2.2905 -2.2905 -1.2903 -1.2903 -1.2902 -1.2902 5.3267 5.3267 5.3268 5.3268 6.1032 6.1032 6.1034 6.1034 6.7187 6.7187 k = 0.5000 0.1266 0.2914 ( 13068 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0706 -23.0697 -23.0697 -10.7065 -10.7065 -10.7064 -10.7064 -7.6995 -7.6995 -7.6995 -7.6995 -6.4217 -6.4217 -6.4216 -6.4216 -4.7191 -4.7191 -4.7190 -4.7190 -3.4993 -3.4993 -3.4991 -3.4991 -3.3582 -3.3582 -3.3578 -3.3578 -2.6257 -2.6257 -2.6255 -2.6255 -2.2886 -2.2886 -2.2885 -2.2885 -1.2918 -1.2918 -1.2918 -1.2918 5.3309 5.3309 5.3310 5.3310 6.1311 6.1311 6.1313 6.1313 6.7373 6.7373 k = 0.5000 0.1406 0.2914 ( 13060 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0706 -23.0696 -23.0696 -10.7050 -10.7050 -10.7050 -10.7050 -7.6975 -7.6975 -7.6974 -7.6974 -6.4327 -6.4327 -6.4325 -6.4325 -4.7275 -4.7275 -4.7274 -4.7274 -3.4871 -3.4871 -3.4868 -3.4868 -3.3538 -3.3538 -3.3533 -3.3533 -2.6220 -2.6220 -2.6217 -2.6217 -2.2867 -2.2867 -2.2867 -2.2867 -1.2934 -1.2934 -1.2933 -1.2933 5.3358 5.3358 5.3359 5.3359 6.1615 6.1615 6.1618 6.1618 6.7564 6.7564 k = 0.5000 0.1547 0.2914 ( 13052 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0762 -23.0762 -23.0752 -23.0752 -23.0705 -23.0705 -23.0696 -23.0696 -10.7035 -10.7035 -10.7034 -10.7034 -7.6953 -7.6953 -7.6953 -7.6953 -6.4441 -6.4441 -6.4440 -6.4440 -4.7360 -4.7360 -4.7359 -4.7359 -3.4778 -3.4778 -3.4775 -3.4775 -3.3456 -3.3456 -3.3451 -3.3451 -2.6181 -2.6181 -2.6178 -2.6178 -2.2850 -2.2850 -2.2849 -2.2849 -1.2948 -1.2948 -1.2947 -1.2947 5.3414 5.3414 5.3415 5.3415 6.1944 6.1944 6.1947 6.1947 6.7753 6.7753 k = 0.5000 0.1687 0.2914 ( 13032 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.7019 -10.7019 -10.7018 -10.7018 -7.6931 -7.6931 -7.6930 -7.6930 -6.4560 -6.4560 -6.4558 -6.4558 -4.7446 -4.7446 -4.7445 -4.7445 -3.4719 -3.4719 -3.4717 -3.4717 -3.3335 -3.3335 -3.3331 -3.3331 -2.6140 -2.6140 -2.6137 -2.6137 -2.2836 -2.2836 -2.2835 -2.2835 -1.2960 -1.2960 -1.2959 -1.2959 5.3475 5.3475 5.3476 5.3476 6.2295 6.2295 6.2298 6.2298 6.7929 6.7929 k = 0.5000 0.1828 0.2914 ( 13040 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0762 -23.0762 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.7002 -10.7002 -10.7002 -10.7002 -7.6908 -7.6908 -7.6907 -7.6907 -6.4681 -6.4681 -6.4679 -6.4679 -4.7532 -4.7532 -4.7531 -4.7531 -3.4693 -3.4693 -3.4691 -3.4691 -3.3179 -3.3179 -3.3175 -3.3175 -2.6098 -2.6098 -2.6095 -2.6095 -2.2824 -2.2824 -2.2823 -2.2823 -1.2970 -1.2970 -1.2969 -1.2969 5.3543 5.3543 5.3544 5.3544 6.2665 6.2665 6.2669 6.2669 6.8082 6.8082 k = 0.5000 0.1969 0.2914 ( 13036 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0762 -23.0762 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6985 -10.6985 -10.6985 -10.6985 -7.6884 -7.6884 -7.6884 -7.6884 -6.4802 -6.4802 -6.4800 -6.4800 -4.7615 -4.7615 -4.7614 -4.7614 -3.4691 -3.4691 -3.4690 -3.4690 -3.2998 -3.2998 -3.2994 -3.2994 -2.6055 -2.6055 -2.6052 -2.6052 -2.2817 -2.2817 -2.2816 -2.2816 -1.2978 -1.2978 -1.2977 -1.2977 5.3615 5.3615 5.3616 5.3616 6.3053 6.3053 6.3057 6.3057 6.8196 6.8196 k = 0.5000 0.2109 0.2914 ( 13040 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0762 -23.0762 -23.0752 -23.0752 -23.0705 -23.0705 -23.0696 -23.0696 -10.6969 -10.6969 -10.6968 -10.6968 -7.6861 -7.6861 -7.6860 -7.6860 -6.4923 -6.4923 -6.4921 -6.4921 -4.7697 -4.7697 -4.7696 -4.7696 -3.4707 -3.4707 -3.4706 -3.4706 -3.2801 -3.2801 -3.2797 -3.2797 -2.6011 -2.6011 -2.6008 -2.6008 -2.2814 -2.2814 -2.2813 -2.2813 -1.2983 -1.2983 -1.2982 -1.2982 5.3691 5.3691 5.3692 5.3692 6.3454 6.3454 6.3459 6.3459 6.8254 6.8256 k = 0.5000 0.2250 0.2914 ( 13048 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0706 -23.0697 -23.0697 -10.6952 -10.6952 -10.6952 -10.6952 -7.6838 -7.6838 -7.6837 -7.6837 -6.5041 -6.5041 -6.5039 -6.5039 -4.7775 -4.7775 -4.7774 -4.7774 -3.4734 -3.4734 -3.4733 -3.4733 -3.2597 -3.2597 -3.2593 -3.2593 -2.5967 -2.5967 -2.5964 -2.5964 -2.2816 -2.2816 -2.2815 -2.2815 -1.2985 -1.2985 -1.2984 -1.2984 5.3771 5.3771 5.3772 5.3772 6.3865 6.3865 6.3870 6.3870 6.8244 6.8246 k = 0.5000 0.2390 0.2914 ( 13048 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0706 -23.0697 -23.0697 -10.6936 -10.6936 -10.6936 -10.6936 -7.6815 -7.6815 -7.6814 -7.6814 -6.5156 -6.5156 -6.5154 -6.5154 -4.7849 -4.7849 -4.7848 -4.7848 -3.4767 -3.4767 -3.4766 -3.4766 -3.2393 -3.2393 -3.2389 -3.2389 -2.5922 -2.5922 -2.5919 -2.5919 -2.2823 -2.2823 -2.2822 -2.2822 -1.2985 -1.2985 -1.2983 -1.2983 5.3852 5.3852 5.3853 5.3853 6.4279 6.4279 6.4285 6.4285 6.8162 6.8163 k = 0.5000 0.2531 0.2914 ( 13028 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6920 -10.6920 -10.6920 -10.6920 -7.6793 -7.6793 -7.6792 -7.6792 -6.5265 -6.5265 -6.5263 -6.5263 -4.7919 -4.7919 -4.7918 -4.7918 -3.4803 -3.4803 -3.4802 -3.4802 -3.2193 -3.2193 -3.2189 -3.2189 -2.5876 -2.5876 -2.5873 -2.5873 -2.2835 -2.2835 -2.2834 -2.2834 -1.2981 -1.2981 -1.2980 -1.2980 5.3933 5.3933 5.3934 5.3934 6.4688 6.4688 6.4694 6.4694 6.8020 6.8020 k = 0.5000 0.2672 0.2914 ( 13028 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6905 -10.6905 -10.6905 -10.6905 -7.6772 -7.6772 -7.6772 -7.6772 -6.5368 -6.5368 -6.5366 -6.5366 -4.7983 -4.7983 -4.7982 -4.7982 -3.4839 -3.4839 -3.4838 -3.4838 -3.2003 -3.2003 -3.1999 -3.1999 -2.5831 -2.5831 -2.5828 -2.5828 -2.2851 -2.2851 -2.2850 -2.2850 -1.2975 -1.2975 -1.2974 -1.2974 5.4014 5.4014 5.4015 5.4015 6.5077 6.5077 6.5083 6.5083 6.7845 6.7845 k = 0.5000 0.2812 0.2914 ( 13012 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6892 -10.6892 -10.6891 -10.6891 -7.6752 -7.6752 -7.6752 -7.6752 -6.5463 -6.5463 -6.5462 -6.5462 -4.8042 -4.8042 -4.8041 -4.8041 -3.4874 -3.4874 -3.4874 -3.4874 -3.1825 -3.1825 -3.1821 -3.1821 -2.5786 -2.5786 -2.5783 -2.5783 -2.2871 -2.2871 -2.2870 -2.2870 -1.2968 -1.2968 -1.2966 -1.2966 5.4092 5.4092 5.4093 5.4093 6.5422 6.5422 6.5429 6.5429 6.7679 6.7679 k = 0.5000 0.2953 0.2914 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6879 -10.6879 -10.6879 -10.6879 -7.6735 -7.6735 -7.6734 -7.6734 -6.5550 -6.5550 -6.5549 -6.5549 -4.8096 -4.8096 -4.8095 -4.8095 -3.4907 -3.4907 -3.4907 -3.4907 -3.1662 -3.1662 -3.1659 -3.1659 -2.5743 -2.5743 -2.5740 -2.5740 -2.2894 -2.2894 -2.2893 -2.2893 -1.2959 -1.2959 -1.2957 -1.2957 5.4166 5.4166 5.4167 5.4167 6.5686 6.5686 6.5693 6.5693 6.7576 6.7576 k = 0.5000 0.3093 0.2914 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6868 -10.6868 -10.6867 -10.6867 -7.6719 -7.6719 -7.6718 -7.6718 -6.5628 -6.5628 -6.5626 -6.5626 -4.8142 -4.8142 -4.8142 -4.8142 -3.4937 -3.4937 -3.4936 -3.4936 -3.1517 -3.1517 -3.1513 -3.1513 -2.5701 -2.5701 -2.5699 -2.5699 -2.2919 -2.2919 -2.2918 -2.2918 -1.2949 -1.2949 -1.2947 -1.2947 5.4235 5.4235 5.4236 5.4236 6.5826 6.5826 6.5831 6.5831 6.7587 6.7587 k = 0.5000 0.3234 0.2914 ( 13028 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0706 -23.0706 -23.0696 -23.0696 -10.6858 -10.6858 -10.6857 -10.6857 -7.6705 -7.6705 -7.6704 -7.6704 -6.5695 -6.5695 -6.5693 -6.5693 -4.8183 -4.8183 -4.8182 -4.8182 -3.4963 -3.4963 -3.4963 -3.4963 -3.1391 -3.1391 -3.1388 -3.1388 -2.5663 -2.5663 -2.5661 -2.5661 -2.2944 -2.2944 -2.2943 -2.2943 -1.2939 -1.2939 -1.2937 -1.2937 5.4296 5.4296 5.4297 5.4297 6.5837 6.5837 6.5842 6.5842 6.7720 6.7720 k = 0.5000 0.3375 0.2914 ( 13032 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0706 -23.0706 -23.0696 -23.0696 -10.6849 -10.6849 -10.6849 -10.6849 -7.6693 -7.6693 -7.6693 -7.6693 -6.5750 -6.5750 -6.5748 -6.5748 -4.8216 -4.8216 -4.8215 -4.8215 -3.4985 -3.4985 -3.4984 -3.4984 -3.1286 -3.1286 -3.1283 -3.1283 -2.5629 -2.5629 -2.5628 -2.5628 -2.2968 -2.2968 -2.2967 -2.2967 -1.2930 -1.2930 -1.2928 -1.2928 5.4348 5.4348 5.4349 5.4349 6.5770 6.5770 6.5773 6.5773 6.7924 6.7924 k = 0.5000 0.3515 0.2914 ( 13020 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6843 -10.6843 -10.6843 -10.6843 -7.6684 -7.6684 -7.6683 -7.6683 -6.5794 -6.5794 -6.5792 -6.5792 -4.8242 -4.8242 -4.8241 -4.8241 -3.5002 -3.5002 -3.5002 -3.5002 -3.1203 -3.1203 -3.1200 -3.1200 -2.5601 -2.5601 -2.5600 -2.5600 -2.2988 -2.2988 -2.2988 -2.2988 -1.2922 -1.2922 -1.2920 -1.2920 5.4390 5.4390 5.4392 5.4392 6.5677 6.5677 6.5679 6.5679 6.8139 6.8139 k = 0.5000 0.3656 0.2914 ( 13012 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6838 -10.6838 -10.6838 -10.6838 -7.6677 -7.6677 -7.6677 -7.6677 -6.5826 -6.5826 -6.5824 -6.5824 -4.8261 -4.8261 -4.8260 -4.8260 -3.5015 -3.5015 -3.5014 -3.5014 -3.1144 -3.1144 -3.1140 -3.1140 -2.5580 -2.5580 -2.5579 -2.5579 -2.3004 -2.3004 -2.3004 -2.3004 -1.2916 -1.2916 -1.2914 -1.2914 5.4422 5.4422 5.4423 5.4423 6.5594 6.5594 6.5595 6.5595 6.8321 6.8321 k = 0.5000 0.3797 0.2914 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6835 -10.6835 -10.6835 -10.6835 -7.6673 -7.6673 -7.6673 -7.6673 -6.5845 -6.5845 -6.5843 -6.5843 -4.8272 -4.8272 -4.8271 -4.8271 -3.5022 -3.5022 -3.5022 -3.5022 -3.1108 -3.1108 -3.1104 -3.1104 -2.5567 -2.5567 -2.5566 -2.5566 -2.3014 -2.3014 -2.3014 -2.3014 -1.2912 -1.2912 -1.2911 -1.2911 5.4441 5.4441 5.4442 5.4442 6.5538 6.5538 6.5539 6.5539 6.8440 6.8440 k = 0.5000 0.3937 0.2914 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6834 -10.6834 -10.6834 -10.6834 -7.6672 -7.6672 -7.6671 -7.6671 -6.5852 -6.5852 -6.5850 -6.5850 -4.8276 -4.8276 -4.8275 -4.8275 -3.5025 -3.5025 -3.5024 -3.5024 -3.1096 -3.1096 -3.1092 -3.1092 -2.5563 -2.5563 -2.5562 -2.5562 -2.3018 -2.3018 -2.3018 -2.3018 -1.2911 -1.2911 -1.2909 -1.2909 5.4447 5.4447 5.4448 5.4448 6.5519 6.5519 6.5519 6.5519 6.8482 6.8482 k = 0.5000 0.3937 0.2914 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6834 -10.6834 -10.6834 -10.6834 -7.6672 -7.6672 -7.6671 -7.6671 -6.5852 -6.5852 -6.5850 -6.5850 -4.8276 -4.8276 -4.8275 -4.8275 -3.5025 -3.5025 -3.5024 -3.5024 -3.1096 -3.1096 -3.1092 -3.1092 -2.5563 -2.5563 -2.5562 -2.5562 -2.3018 -2.3018 -2.3018 -2.3018 -1.2911 -1.2911 -1.2909 -1.2909 5.4447 5.4447 5.4448 5.4448 6.5519 6.5519 6.5519 6.5519 6.8482 6.8482 k = 0.4857 0.3937 0.2914 ( 13008 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6837 -10.6837 -10.6837 -10.6837 -7.6674 -7.6674 -7.6673 -7.6673 -6.5853 -6.5853 -6.5851 -6.5851 -4.8266 -4.8266 -4.8265 -4.8265 -3.5023 -3.5023 -3.5022 -3.5022 -3.1098 -3.1098 -3.1095 -3.1095 -2.5562 -2.5562 -2.5561 -2.5561 -2.3007 -2.3007 -2.3007 -2.3007 -1.2910 -1.2910 -1.2908 -1.2908 5.4426 5.4427 5.4427 5.4428 6.5508 6.5509 6.5510 6.5510 6.8495 6.8499 k = 0.4714 0.3937 0.2914 ( 13012 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6844 -10.6844 -10.6844 -10.6844 -7.6681 -7.6681 -7.6680 -7.6680 -6.5858 -6.5858 -6.5857 -6.5857 -4.8235 -4.8234 -4.8234 -4.8234 -3.5017 -3.5017 -3.5017 -3.5017 -3.1106 -3.1105 -3.1103 -3.1102 -2.5559 -2.5559 -2.5558 -2.5558 -2.2977 -2.2976 -2.2976 -2.2976 -1.2907 -1.2907 -1.2906 -1.2905 5.4365 5.4366 5.4366 5.4367 6.5478 6.5480 6.5481 6.5482 6.8537 6.8544 k = 0.4571 0.3937 0.2914 ( 13004 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6856 -10.6856 -10.6856 -10.6856 -7.6692 -7.6692 -7.6692 -7.6692 -6.5867 -6.5867 -6.5865 -6.5865 -4.8183 -4.8183 -4.8182 -4.8182 -3.5008 -3.5008 -3.5008 -3.5008 -3.1119 -3.1118 -3.1115 -3.1115 -2.5554 -2.5554 -2.5553 -2.5553 -2.2926 -2.2925 -2.2925 -2.2924 -1.2903 -1.2902 -1.2901 -1.2901 5.4265 5.4266 5.4266 5.4267 6.5431 6.5434 6.5435 6.5437 6.8602 6.8611 k = 0.4429 0.3937 0.2914 ( 13000 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2516 -23.0761 -23.0760 -23.0751 -23.0750 -23.0705 -23.0705 -23.0696 -23.0696 -10.6873 -10.6873 -10.6873 -10.6873 -7.6709 -7.6708 -7.6708 -7.6708 -6.5879 -6.5879 -6.5877 -6.5877 -4.8111 -4.8110 -4.8110 -4.8110 -3.4996 -3.4996 -3.4996 -3.4996 -3.1136 -3.1135 -3.1133 -3.1132 -2.5547 -2.5546 -2.5545 -2.5545 -2.2856 -2.2855 -2.2855 -2.2854 -1.2897 -1.2896 -1.2895 -1.2894 5.4129 5.4129 5.4130 5.4131 6.5369 6.5373 6.5374 6.5376 6.8681 6.8692 k = 0.4286 0.3937 0.2914 ( 13020 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0760 -23.0751 -23.0751 -23.0706 -23.0705 -23.0697 -23.0696 -10.6894 -10.6894 -10.6894 -10.6894 -7.6729 -7.6729 -7.6728 -7.6728 -6.5894 -6.5894 -6.5892 -6.5892 -4.8019 -4.8018 -4.8018 -4.8018 -3.4982 -3.4981 -3.4981 -3.4981 -3.1157 -3.1155 -3.1154 -3.1153 -2.5536 -2.5535 -2.5534 -2.5534 -2.2768 -2.2767 -2.2766 -2.2765 -1.2889 -1.2888 -1.2887 -1.2886 5.3959 5.3960 5.3961 5.3962 6.5296 6.5299 6.5301 6.5303 6.8765 6.8778 k = 0.4143 0.3937 0.2914 ( 13024 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2516 -23.0761 -23.0760 -23.0751 -23.0750 -23.0706 -23.0704 -23.0697 -23.0696 -10.6920 -10.6920 -10.6920 -10.6920 -7.6754 -7.6753 -7.6753 -7.6753 -6.5912 -6.5912 -6.5910 -6.5910 -4.7907 -4.7906 -4.7906 -4.7906 -3.4966 -3.4966 -3.4966 -3.4966 -3.1182 -3.1180 -3.1179 -3.1177 -2.5521 -2.5520 -2.5520 -2.5519 -2.2663 -2.2662 -2.2662 -2.2660 -1.2879 -1.2878 -1.2877 -1.2876 5.3761 5.3761 5.3763 5.3764 6.5212 6.5215 6.5217 6.5219 6.8842 6.8856 k = 0.4000 0.3937 0.2914 ( 13020 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2517 -23.2517 -23.2516 -23.0761 -23.0759 -23.0751 -23.0750 -23.0706 -23.0704 -23.0697 -23.0696 -10.6950 -10.6950 -10.6950 -10.6950 -7.6782 -7.6782 -7.6782 -7.6782 -6.5933 -6.5932 -6.5931 -6.5931 -4.7776 -4.7775 -4.7774 -4.7774 -3.4950 -3.4950 -3.4950 -3.4949 -3.1209 -3.1207 -3.1206 -3.1204 -2.5501 -2.5500 -2.5500 -2.5500 -2.2544 -2.2543 -2.2542 -2.2541 -1.2868 -1.2866 -1.2866 -1.2865 5.3537 5.3538 5.3540 5.3541 6.5118 6.5122 6.5124 6.5125 6.8902 6.8917 k = 0.3857 0.3937 0.2914 ( 13012 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2516 -23.0761 -23.0759 -23.0751 -23.0750 -23.0706 -23.0704 -23.0697 -23.0696 -10.6984 -10.6983 -10.6983 -10.6983 -7.6815 -7.6815 -7.6815 -7.6814 -6.5956 -6.5956 -6.5955 -6.5954 -4.7626 -4.7624 -4.7624 -4.7624 -3.4935 -3.4934 -3.4934 -3.4934 -3.1239 -3.1236 -3.1235 -3.1233 -2.5477 -2.5476 -2.5476 -2.5475 -2.2411 -2.2410 -2.2409 -2.2408 -1.2855 -1.2854 -1.2853 -1.2852 5.3294 5.3295 5.3296 5.3297 6.5015 6.5019 6.5021 6.5022 6.8934 6.8950 k = 0.3714 0.3937 0.2914 ( 13028 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2516 -23.0761 -23.0759 -23.0751 -23.0750 -23.0706 -23.0704 -23.0697 -23.0696 -10.7021 -10.7021 -10.7021 -10.7020 -7.6851 -7.6851 -7.6851 -7.6851 -6.5982 -6.5982 -6.5980 -6.5980 -4.7457 -4.7456 -4.7456 -4.7455 -3.4922 -3.4921 -3.4921 -3.4921 -3.1269 -3.1266 -3.1266 -3.1264 -2.5447 -2.5446 -2.5446 -2.5445 -2.2267 -2.2266 -2.2265 -2.2263 -1.2841 -1.2839 -1.2839 -1.2838 5.3035 5.3035 5.3037 5.3038 6.4903 6.4906 6.4909 6.4909 6.8931 6.8947 k = 0.3571 0.3937 0.2914 ( 13040 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2516 -23.0761 -23.0758 -23.0752 -23.0749 -23.0706 -23.0704 -23.0697 -23.0696 -10.7061 -10.7061 -10.7061 -10.7061 -7.6891 -7.6891 -7.6891 -7.6891 -6.6010 -6.6009 -6.6008 -6.6008 -4.7271 -4.7269 -4.7269 -4.7269 -3.4911 -3.4911 -3.4911 -3.4910 -3.1300 -3.1297 -3.1296 -3.1294 -2.5411 -2.5410 -2.5410 -2.5409 -2.2113 -2.2112 -2.2110 -2.2109 -1.2826 -1.2824 -1.2824 -1.2822 5.2764 5.2765 5.2767 5.2768 6.4780 6.4782 6.4785 6.4786 6.8886 6.8902 k = 0.3429 0.3937 0.2914 ( 13036 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2516 -23.0760 -23.0758 -23.0751 -23.0749 -23.0706 -23.0703 -23.0697 -23.0696 -10.7104 -10.7104 -10.7104 -10.7104 -7.6934 -7.6934 -7.6934 -7.6933 -6.6039 -6.6039 -6.6038 -6.6037 -4.7068 -4.7066 -4.7066 -4.7066 -3.4906 -3.4905 -3.4905 -3.4904 -3.1330 -3.1327 -3.1326 -3.1325 -2.5369 -2.5368 -2.5368 -2.5367 -2.1950 -2.1949 -2.1947 -2.1946 -1.2809 -1.2808 -1.2807 -1.2806 5.2487 5.2487 5.2490 5.2490 6.4645 6.4647 6.4649 6.4650 6.8796 6.8812 k = 0.3286 0.3937 0.2914 ( 13048 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2515 -23.0760 -23.0757 -23.0751 -23.0749 -23.0706 -23.0703 -23.0697 -23.0696 -10.7150 -10.7150 -10.7150 -10.7150 -7.6980 -7.6979 -7.6979 -7.6979 -6.6071 -6.6071 -6.6070 -6.6069 -4.6849 -4.6847 -4.6847 -4.6847 -3.4906 -3.4905 -3.4905 -3.4904 -3.1360 -3.1357 -3.1356 -3.1354 -2.5321 -2.5320 -2.5320 -2.5319 -2.1781 -2.1780 -2.1778 -2.1777 -1.2792 -1.2791 -1.2790 -1.2788 5.2207 5.2207 5.2210 5.2210 6.4496 6.4497 6.4499 6.4500 6.8660 6.8675 k = 0.3143 0.3937 0.2914 ( 13020 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2516 -23.2516 -23.2516 -23.2515 -23.0760 -23.0757 -23.0751 -23.0748 -23.0705 -23.0702 -23.0697 -23.0695 -10.7198 -10.7198 -10.7197 -10.7197 -7.7028 -7.7027 -7.7027 -7.7027 -6.6104 -6.6103 -6.6103 -6.6102 -4.6615 -4.6613 -4.6613 -4.6612 -3.4912 -3.4912 -3.4911 -3.4911 -3.1388 -3.1385 -3.1383 -3.1382 -2.5267 -2.5266 -2.5266 -2.5265 -2.1607 -2.1605 -2.1603 -2.1602 -1.2774 -1.2773 -1.2772 -1.2770 5.1928 5.1928 5.1931 5.1931 6.4330 6.4330 6.4332 6.4334 6.8479 6.8493 k = 0.3000 0.3937 0.2914 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2516 -23.2516 -23.2516 -23.2515 -23.0759 -23.0756 -23.0751 -23.0748 -23.0705 -23.0702 -23.0697 -23.0695 -10.7247 -10.7247 -10.7247 -10.7247 -7.7078 -7.7077 -7.7077 -7.7077 -6.6137 -6.6137 -6.6137 -6.6136 -4.6366 -4.6365 -4.6365 -4.6364 -3.4927 -3.4926 -3.4926 -3.4925 -3.1414 -3.1411 -3.1409 -3.1408 -2.5207 -2.5206 -2.5206 -2.5206 -2.1429 -2.1427 -2.1425 -2.1424 -1.2755 -1.2754 -1.2753 -1.2751 5.1654 5.1654 5.1656 5.1657 6.4145 6.4146 6.4147 6.4149 6.8257 6.8269 k = 0.2857 0.3937 0.2914 ( 13028 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2516 -23.2516 -23.2516 -23.2514 -23.0759 -23.0756 -23.0751 -23.0748 -23.0705 -23.0702 -23.0697 -23.0695 -10.7298 -10.7298 -10.7297 -10.7297 -7.7130 -7.7129 -7.7129 -7.7129 -6.6172 -6.6172 -6.6171 -6.6170 -4.6105 -4.6103 -4.6103 -4.6103 -3.4950 -3.4949 -3.4949 -3.4948 -3.1437 -3.1435 -3.1433 -3.1432 -2.5143 -2.5142 -2.5141 -2.5141 -2.1248 -2.1247 -2.1245 -2.1243 -1.2736 -1.2735 -1.2733 -1.2732 5.1388 5.1388 5.1391 5.1391 6.3939 6.3940 6.3940 6.3943 6.7998 6.8009 k = 0.2714 0.3937 0.2914 ( 13024 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2516 -23.2516 -23.2516 -23.2514 -23.0759 -23.0755 -23.0751 -23.0747 -23.0705 -23.0702 -23.0697 -23.0695 -10.7349 -10.7349 -10.7349 -10.7349 -7.7183 -7.7182 -7.7182 -7.7182 -6.6207 -6.6207 -6.6206 -6.6206 -4.5832 -4.5830 -4.5830 -4.5829 -3.4982 -3.4982 -3.4981 -3.4980 -3.1459 -3.1456 -3.1453 -3.1453 -2.5073 -2.5072 -2.5072 -2.5071 -2.1067 -2.1066 -2.1063 -2.1062 -1.2716 -1.2715 -1.2713 -1.2712 5.1134 5.1134 5.1136 5.1137 6.3709 6.3709 6.3711 6.3713 6.7709 6.7719 k = 0.2571 0.3937 0.2914 ( 13008 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2515 -23.2515 -23.2515 -23.2514 -23.0758 -23.0754 -23.0750 -23.0747 -23.0704 -23.0701 -23.0697 -23.0695 -10.7401 -10.7401 -10.7401 -10.7400 -7.7236 -7.7236 -7.7236 -7.7236 -6.6243 -6.6242 -6.6242 -6.6241 -4.5548 -4.5547 -4.5547 -4.5546 -3.5024 -3.5024 -3.5023 -3.5022 -3.1477 -3.1474 -3.1472 -3.1472 -2.4999 -2.4999 -2.4998 -2.4998 -2.0887 -2.0886 -2.0883 -2.0881 -1.2696 -1.2695 -1.2693 -1.2691 5.0894 5.0894 5.0896 5.0897 6.3451 6.3451 6.3454 6.3455 6.7397 6.7406 k = 0.2429 0.3937 0.2914 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2515 -23.2515 -23.2515 -23.2514 -23.0758 -23.0754 -23.0750 -23.0747 -23.0704 -23.0701 -23.0697 -23.0695 -10.7453 -10.7453 -10.7452 -10.7452 -7.7290 -7.7290 -7.7290 -7.7290 -6.6278 -6.6278 -6.6277 -6.6276 -4.5256 -4.5254 -4.5254 -4.5254 -3.5076 -3.5076 -3.5075 -3.5074 -3.1493 -3.1491 -3.1489 -3.1488 -2.4922 -2.4922 -2.4921 -2.4921 -2.0708 -2.0707 -2.0704 -2.0703 -1.2676 -1.2675 -1.2672 -1.2671 5.0671 5.0671 5.0673 5.0674 6.3163 6.3165 6.3168 6.3168 6.7070 6.7078 k = 0.2286 0.3937 0.2914 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2515 -23.2515 -23.2515 -23.2513 -23.0757 -23.0753 -23.0750 -23.0747 -23.0704 -23.0700 -23.0697 -23.0695 -10.7504 -10.7504 -10.7504 -10.7504 -7.7345 -7.7344 -7.7344 -7.7344 -6.6313 -6.6313 -6.6312 -6.6312 -4.4956 -4.4955 -4.4955 -4.4954 -3.5138 -3.5137 -3.5137 -3.5136 -3.1508 -3.1505 -3.1503 -3.1502 -2.4843 -2.4843 -2.4842 -2.4842 -2.0533 -2.0532 -2.0528 -2.0527 -1.2656 -1.2655 -1.2652 -1.2651 5.0467 5.0468 5.0469 5.0470 6.2845 6.2847 6.2850 6.2851 6.6736 6.6743 k = 0.2143 0.3937 0.2914 ( 13028 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2515 -23.2515 -23.2515 -23.2513 -23.0757 -23.0753 -23.0750 -23.0746 -23.0704 -23.0700 -23.0697 -23.0695 -10.7554 -10.7554 -10.7554 -10.7554 -7.7398 -7.7398 -7.7398 -7.7397 -6.6348 -6.6347 -6.6347 -6.6346 -4.4651 -4.4650 -4.4650 -4.4649 -3.5209 -3.5208 -3.5208 -3.5207 -3.1520 -3.1517 -3.1515 -3.1514 -2.4762 -2.4762 -2.4761 -2.4761 -2.0362 -2.0360 -2.0356 -2.0356 -1.2636 -1.2635 -1.2632 -1.2631 5.0285 5.0285 5.0287 5.0288 6.2495 6.2498 6.2501 6.2501 6.6404 6.6409 k = 0.2000 0.3937 0.2914 ( 13028 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2515 -23.2514 -23.2514 -23.2513 -23.0757 -23.0752 -23.0750 -23.0746 -23.0704 -23.0700 -23.0697 -23.0695 -10.7604 -10.7604 -10.7603 -10.7603 -7.7450 -7.7450 -7.7450 -7.7450 -6.6381 -6.6381 -6.6381 -6.6380 -4.4342 -4.4341 -4.4341 -4.4340 -3.5290 -3.5289 -3.5289 -3.5288 -3.1530 -3.1528 -3.1526 -3.1525 -2.4681 -2.4681 -2.4680 -2.4680 -2.0196 -2.0195 -2.0190 -2.0190 -1.2616 -1.2615 -1.2612 -1.2611 5.0125 5.0126 5.0128 5.0128 6.2115 6.2118 6.2121 6.2121 6.6079 6.6083 k = 0.1857 0.3937 0.2914 ( 13028 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2515 -23.2514 -23.2514 -23.2513 -23.0756 -23.0752 -23.0750 -23.0746 -23.0703 -23.0699 -23.0698 -23.0695 -10.7651 -10.7651 -10.7651 -10.7651 -7.7501 -7.7501 -7.7501 -7.7501 -6.6414 -6.6414 -6.6413 -6.6413 -4.4032 -4.4030 -4.4030 -4.4029 -3.5379 -3.5378 -3.5378 -3.5377 -3.1540 -3.1537 -3.1536 -3.1534 -2.4601 -2.4600 -2.4599 -2.4599 -2.0036 -2.0035 -2.0031 -2.0030 -1.2597 -1.2596 -1.2592 -1.2591 4.9990 4.9991 4.9993 4.9993 6.1706 6.1710 6.1712 6.1713 6.5767 6.5770 k = 0.1714 0.3937 0.2914 ( 13012 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2514 -23.2514 -23.2514 -23.2512 -23.0756 -23.0751 -23.0750 -23.0746 -23.0703 -23.0699 -23.0697 -23.0694 -10.7697 -10.7697 -10.7697 -10.7697 -7.7551 -7.7550 -7.7550 -7.7550 -6.6445 -6.6445 -6.6445 -6.6444 -4.3722 -4.3720 -4.3720 -4.3719 -3.5476 -3.5475 -3.5475 -3.5474 -3.1548 -3.1546 -3.1544 -3.1543 -2.4521 -2.4521 -2.4520 -2.4520 -1.9885 -1.9884 -1.9879 -1.9878 -1.2578 -1.2577 -1.2573 -1.2572 4.9880 4.9881 4.9882 4.9883 6.1275 6.1279 6.1281 6.1282 6.5472 6.5475 k = 0.1571 0.3937 0.2914 ( 13024 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2514 -23.2514 -23.2514 -23.2512 -23.0755 -23.0751 -23.0750 -23.0746 -23.0703 -23.0698 -23.0698 -23.0695 -10.7740 -10.7740 -10.7740 -10.7740 -7.7598 -7.7597 -7.7597 -7.7597 -6.6475 -6.6474 -6.6474 -6.6474 -4.3415 -4.3413 -4.3413 -4.3412 -3.5580 -3.5579 -3.5578 -3.5578 -3.1556 -3.1553 -3.1552 -3.1551 -2.4445 -2.4445 -2.4444 -2.4444 -1.9741 -1.9740 -1.9735 -1.9735 -1.2560 -1.2559 -1.2555 -1.2554 4.9795 4.9796 4.9797 4.9798 6.0827 6.0831 6.0832 6.0834 6.5197 6.5199 k = 0.1429 0.3937 0.2914 ( 13028 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2514 -23.2514 -23.2513 -23.2512 -23.0755 -23.0750 -23.0750 -23.0746 -23.0703 -23.0698 -23.0698 -23.0695 -10.7781 -10.7781 -10.7781 -10.7781 -7.7642 -7.7642 -7.7641 -7.7641 -6.6503 -6.6502 -6.6502 -6.6502 -4.3113 -4.3112 -4.3112 -4.3111 -3.5689 -3.5688 -3.5688 -3.5688 -3.1563 -3.1560 -3.1560 -3.1558 -2.4372 -2.4372 -2.4371 -2.4371 -1.9607 -1.9606 -1.9601 -1.9601 -1.2543 -1.2542 -1.2538 -1.2537 4.9736 4.9737 4.9737 4.9738 6.0370 6.0374 6.0375 6.0377 6.4943 6.4945 k = 0.1286 0.3937 0.2914 ( 13032 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2514 -23.2514 -23.2513 -23.2512 -23.0755 -23.0750 -23.0750 -23.0746 -23.0702 -23.0698 -23.0698 -23.0695 -10.7819 -10.7819 -10.7818 -10.7818 -7.7683 -7.7683 -7.7683 -7.7683 -6.6529 -6.6528 -6.6528 -6.6528 -4.2821 -4.2819 -4.2819 -4.2818 -3.5802 -3.5801 -3.5801 -3.5801 -3.1569 -3.1567 -3.1567 -3.1565 -2.4303 -2.4303 -2.4303 -2.4302 -1.9483 -1.9482 -1.9477 -1.9477 -1.2527 -1.2526 -1.2521 -1.2520 4.9700 4.9701 4.9701 4.9702 5.9913 5.9916 5.9917 5.9919 6.4711 6.4713 k = 0.1143 0.3937 0.2914 ( 13032 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2514 -23.2513 -23.2513 -23.2512 -23.0754 -23.0751 -23.0749 -23.0746 -23.0702 -23.0698 -23.0698 -23.0695 -10.7853 -10.7853 -10.7853 -10.7853 -7.7721 -7.7721 -7.7720 -7.7720 -6.6552 -6.6552 -6.6552 -6.6551 -4.2540 -4.2539 -4.2539 -4.2538 -3.5918 -3.5917 -3.5917 -3.5917 -3.1576 -3.1573 -3.1573 -3.1571 -2.4240 -2.4240 -2.4239 -2.4239 -1.9370 -1.9369 -1.9364 -1.9363 -1.2512 -1.2511 -1.2506 -1.2505 4.9686 4.9687 4.9687 4.9688 5.9465 5.9468 5.9469 5.9470 6.4501 6.4503 k = 0.1000 0.3937 0.2914 ( 13020 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2513 -23.2512 -23.0754 -23.0750 -23.0749 -23.0746 -23.0701 -23.0698 -23.0697 -23.0695 -10.7884 -10.7884 -10.7884 -10.7884 -7.7755 -7.7755 -7.7755 -7.7754 -6.6574 -6.6574 -6.6573 -6.6573 -4.2275 -4.2274 -4.2274 -4.2273 -3.6033 -3.6032 -3.6032 -3.6032 -3.1581 -3.1579 -3.1579 -3.1577 -2.4183 -2.4182 -2.4182 -2.4182 -1.9269 -1.9268 -1.9262 -1.9262 -1.2498 -1.2497 -1.2492 -1.2492 4.9691 4.9692 4.9692 4.9693 5.9035 5.9038 5.9039 5.9040 6.4315 6.4316 k = 0.0857 0.3937 0.2914 ( 13024 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0754 -23.0751 -23.0748 -23.0746 -23.0701 -23.0698 -23.0697 -23.0695 -10.7911 -10.7911 -10.7911 -10.7911 -7.7785 -7.7785 -7.7785 -7.7785 -6.6593 -6.6593 -6.6592 -6.6592 -4.2030 -4.2029 -4.2029 -4.2028 -3.6146 -3.6145 -3.6144 -3.6144 -3.1587 -3.1585 -3.1584 -3.1582 -2.4132 -2.4132 -2.4131 -2.4131 -1.9179 -1.9179 -1.9173 -1.9172 -1.2486 -1.2485 -1.2480 -1.2479 4.9712 4.9713 4.9713 4.9714 5.8634 5.8636 5.8637 5.8638 6.4152 6.4153 k = 0.0714 0.3937 0.2914 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0753 -23.0751 -23.0748 -23.0746 -23.0701 -23.0698 -23.0696 -23.0695 -10.7935 -10.7935 -10.7935 -10.7935 -7.7811 -7.7811 -7.7811 -7.7811 -6.6609 -6.6609 -6.6609 -6.6608 -4.1809 -4.1808 -4.1808 -4.1807 -3.6252 -3.6251 -3.6250 -3.6250 -3.1591 -3.1590 -3.1589 -3.1587 -2.4088 -2.4088 -2.4087 -2.4087 -1.9103 -1.9102 -1.9096 -1.9096 -1.2475 -1.2475 -1.2469 -1.2468 4.9745 4.9746 4.9746 4.9747 5.8271 5.8273 5.8274 5.8275 6.4013 6.4014 k = 0.0571 0.3937 0.2914 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0753 -23.0751 -23.0748 -23.0746 -23.0700 -23.0698 -23.0696 -23.0695 -10.7954 -10.7954 -10.7954 -10.7954 -7.7833 -7.7832 -7.7832 -7.7832 -6.6622 -6.6622 -6.6622 -6.6622 -4.1618 -4.1617 -4.1617 -4.1616 -3.6347 -3.6347 -3.6346 -3.6346 -3.1595 -3.1594 -3.1593 -3.1592 -2.4051 -2.4051 -2.4051 -2.4051 -1.9040 -1.9039 -1.9033 -1.9033 -1.2466 -1.2466 -1.2460 -1.2460 4.9783 4.9784 4.9784 4.9785 5.7956 5.7957 5.7958 5.7959 6.3898 6.3899 k = 0.0429 0.3937 0.2914 ( 13020 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0753 -23.0751 -23.0747 -23.0746 -23.0700 -23.0699 -23.0696 -23.0695 -10.7970 -10.7970 -10.7970 -10.7969 -7.7849 -7.7849 -7.7849 -7.7849 -6.6633 -6.6633 -6.6633 -6.6632 -4.1462 -4.1461 -4.1461 -4.1460 -3.6428 -3.6428 -3.6427 -3.6427 -3.1598 -3.1597 -3.1596 -3.1595 -2.4023 -2.4023 -2.4023 -2.4022 -1.8990 -1.8990 -1.8983 -1.8983 -1.2459 -1.2459 -1.2453 -1.2452 4.9822 4.9822 4.9823 4.9823 5.7698 5.7699 5.7701 5.7702 6.3809 6.3809 k = 0.0286 0.3937 0.2914 ( 13036 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0751 -23.0747 -23.0746 -23.0700 -23.0699 -23.0696 -23.0695 -10.7981 -10.7981 -10.7981 -10.7980 -7.7862 -7.7862 -7.7861 -7.7861 -6.6641 -6.6640 -6.6640 -6.6640 -4.1345 -4.1345 -4.1345 -4.1344 -3.6490 -3.6489 -3.6489 -3.6489 -3.1601 -3.1600 -3.1598 -3.1598 -2.4002 -2.4002 -2.4002 -2.4002 -1.8954 -1.8954 -1.8947 -1.8947 -1.2454 -1.2454 -1.2447 -1.2447 4.9854 4.9855 4.9856 4.9856 5.7507 5.7508 5.7510 5.7510 6.3744 6.3745 k = 0.0143 0.3937 0.2914 ( 13040 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0746 -23.0700 -23.0699 -23.0696 -23.0695 -10.7987 -10.7987 -10.7987 -10.7987 -7.7869 -7.7869 -7.7869 -7.7869 -6.6645 -6.6645 -6.6645 -6.6645 -4.1274 -4.1273 -4.1273 -4.1273 -3.6529 -3.6529 -3.6527 -3.6527 -3.1602 -3.1602 -3.1600 -3.1599 -2.3990 -2.3990 -2.3990 -2.3990 -1.8933 -1.8933 -1.8926 -1.8926 -1.2451 -1.2451 -1.2444 -1.2444 4.9876 4.9877 4.9878 4.9878 5.7389 5.7390 5.7392 5.7392 6.3706 6.3706 k = 0.0000 0.3937 0.2914 ( 13032 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0699 -23.0699 -23.0695 -23.0695 -10.7989 -10.7989 -10.7989 -10.7989 -7.7871 -7.7871 -7.7871 -7.7871 -6.6647 -6.6647 -6.6646 -6.6646 -4.1249 -4.1249 -4.1248 -4.1248 -3.6542 -3.6542 -3.6541 -3.6541 -3.1602 -3.1602 -3.1600 -3.1600 -2.3985 -2.3985 -2.3985 -2.3985 -1.8925 -1.8925 -1.8918 -1.8918 -1.2450 -1.2450 -1.2443 -1.2443 4.9884 4.9884 4.9886 4.9886 5.7350 5.7350 5.7352 5.7352 6.3693 6.3693 k = 0.0000 0.3937 0.2914 ( 13032 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0699 -23.0699 -23.0695 -23.0695 -10.7989 -10.7989 -10.7989 -10.7989 -7.7871 -7.7871 -7.7871 -7.7871 -6.6647 -6.6647 -6.6646 -6.6646 -4.1249 -4.1249 -4.1248 -4.1248 -3.6542 -3.6542 -3.6541 -3.6541 -3.1602 -3.1602 -3.1600 -3.1600 -2.3985 -2.3985 -2.3985 -2.3985 -1.8925 -1.8925 -1.8918 -1.8918 -1.2450 -1.2450 -1.2443 -1.2443 4.9884 4.9884 4.9886 4.9886 5.7350 5.7350 5.7352 5.7352 6.3693 6.3693 k = 0.0000 0.3797 0.2914 ( 13038 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0700 -23.0700 -23.0695 -23.0695 -10.7991 -10.7991 -10.7991 -10.7991 -7.7869 -7.7869 -7.7869 -7.7869 -6.6641 -6.6641 -6.6641 -6.6641 -4.1250 -4.1250 -4.1249 -4.1249 -3.6543 -3.6543 -3.6542 -3.6542 -3.1607 -3.1607 -3.1604 -3.1604 -2.3988 -2.3988 -2.3988 -2.3988 -1.8925 -1.8925 -1.8918 -1.8918 -1.2455 -1.2455 -1.2448 -1.2448 4.9898 4.9898 4.9899 4.9899 5.7347 5.7347 5.7350 5.7350 6.3684 6.3684 k = 0.0000 0.3656 0.2914 ( 13044 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0700 -23.0700 -23.0696 -23.0696 -10.7996 -10.7996 -10.7996 -10.7996 -7.7862 -7.7862 -7.7862 -7.7862 -6.6625 -6.6625 -6.6624 -6.6624 -4.1251 -4.1251 -4.1251 -4.1251 -3.6548 -3.6548 -3.6547 -3.6547 -3.1621 -3.1621 -3.1618 -3.1618 -2.3997 -2.3997 -2.3997 -2.3997 -1.8923 -1.8923 -1.8916 -1.8916 -1.2469 -1.2469 -1.2463 -1.2463 4.9939 4.9939 4.9940 4.9940 5.7340 5.7340 5.7342 5.7342 6.3657 6.3657 k = 0.0000 0.3515 0.2914 ( 13038 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0700 -23.0700 -23.0695 -23.0695 -10.8004 -10.8004 -10.8004 -10.8004 -7.7851 -7.7851 -7.7851 -7.7851 -6.6597 -6.6597 -6.6597 -6.6597 -4.1254 -4.1254 -4.1253 -4.1253 -3.6556 -3.6556 -3.6555 -3.6555 -3.1643 -3.1643 -3.1640 -3.1640 -2.4012 -2.4012 -2.4011 -2.4011 -1.8921 -1.8921 -1.8914 -1.8914 -1.2493 -1.2493 -1.2487 -1.2487 5.0005 5.0005 5.0007 5.0007 5.7328 5.7328 5.7331 5.7331 6.3611 6.3611 k = 0.0000 0.3375 0.2914 ( 13044 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0700 -23.0700 -23.0695 -23.0695 -10.8015 -10.8015 -10.8014 -10.8014 -7.7835 -7.7835 -7.7835 -7.7835 -6.6560 -6.6560 -6.6559 -6.6559 -4.1258 -4.1258 -4.1257 -4.1257 -3.6568 -3.6568 -3.6566 -3.6566 -3.1673 -3.1673 -3.1671 -3.1671 -2.4031 -2.4031 -2.4030 -2.4030 -1.8917 -1.8917 -1.8910 -1.8910 -1.2526 -1.2526 -1.2520 -1.2520 5.0097 5.0097 5.0099 5.0099 5.7311 5.7311 5.7314 5.7314 6.3547 6.3547 k = 0.0000 0.3234 0.2914 ( 13040 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0700 -23.0700 -23.0695 -23.0695 -10.8028 -10.8028 -10.8028 -10.8028 -7.7816 -7.7816 -7.7816 -7.7816 -6.6511 -6.6511 -6.6511 -6.6511 -4.1263 -4.1263 -4.1262 -4.1262 -3.6584 -3.6584 -3.6583 -3.6583 -3.1711 -3.1711 -3.1708 -3.1708 -2.4054 -2.4054 -2.4053 -2.4053 -1.8913 -1.8913 -1.8906 -1.8906 -1.2568 -1.2568 -1.2562 -1.2562 5.0211 5.0211 5.0213 5.0213 5.7290 5.7290 5.7294 5.7294 6.3464 6.3464 k = 0.0000 0.3093 0.2914 ( 13044 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0700 -23.0700 -23.0695 -23.0695 -10.8045 -10.8045 -10.8045 -10.8045 -7.7793 -7.7793 -7.7792 -7.7792 -6.6452 -6.6452 -6.6452 -6.6452 -4.1269 -4.1269 -4.1268 -4.1268 -3.6606 -3.6606 -3.6605 -3.6605 -3.1755 -3.1755 -3.1753 -3.1753 -2.4080 -2.4080 -2.4079 -2.4079 -1.8908 -1.8908 -1.8901 -1.8901 -1.2618 -1.2618 -1.2612 -1.2612 5.0346 5.0346 5.0348 5.0348 5.7264 5.7264 5.7268 5.7268 6.3363 6.3363 k = 0.0000 0.2953 0.2914 ( 13052 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0700 -23.0700 -23.0695 -23.0695 -10.8064 -10.8064 -10.8063 -10.8063 -7.7766 -7.7766 -7.7766 -7.7766 -6.6384 -6.6384 -6.6383 -6.6383 -4.1275 -4.1275 -4.1274 -4.1274 -3.6635 -3.6635 -3.6634 -3.6634 -3.1805 -3.1805 -3.1802 -3.1802 -2.4109 -2.4109 -2.4108 -2.4108 -1.8902 -1.8902 -1.8896 -1.8896 -1.2676 -1.2676 -1.2670 -1.2670 5.0498 5.0498 5.0501 5.0501 5.7234 5.7234 5.7239 5.7239 6.3247 6.3247 k = 0.0000 0.2812 0.2914 ( 13060 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0700 -23.0700 -23.0696 -23.0696 -10.8085 -10.8085 -10.8084 -10.8084 -7.7737 -7.7737 -7.7737 -7.7737 -6.6306 -6.6306 -6.6306 -6.6306 -4.1282 -4.1282 -4.1281 -4.1281 -3.6672 -3.6672 -3.6671 -3.6671 -3.1858 -3.1858 -3.1856 -3.1856 -2.4138 -2.4138 -2.4137 -2.4137 -1.8897 -1.8897 -1.8890 -1.8890 -1.2741 -1.2741 -1.2734 -1.2734 5.0665 5.0665 5.0667 5.0667 5.7199 5.7199 5.7203 5.7203 6.3119 6.3119 k = 0.0000 0.2672 0.2914 ( 13048 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0700 -23.0700 -23.0695 -23.0695 -10.8107 -10.8107 -10.8107 -10.8107 -7.7706 -7.7706 -7.7706 -7.7706 -6.6220 -6.6220 -6.6219 -6.6219 -4.1290 -4.1290 -4.1288 -4.1288 -3.6718 -3.6718 -3.6717 -3.6717 -3.1914 -3.1914 -3.1912 -3.1912 -2.4167 -2.4167 -2.4166 -2.4166 -1.8891 -1.8891 -1.8884 -1.8884 -1.2811 -1.2811 -1.2805 -1.2805 5.0843 5.0843 5.0846 5.0846 5.7157 5.7157 5.7162 5.7162 6.2985 6.2985 k = 0.0000 0.2531 0.2914 ( 13044 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0700 -23.0700 -23.0695 -23.0695 -10.8132 -10.8132 -10.8132 -10.8132 -7.7673 -7.7673 -7.7673 -7.7673 -6.6125 -6.6125 -6.6124 -6.6124 -4.1297 -4.1297 -4.1296 -4.1296 -3.6775 -3.6775 -3.6773 -3.6773 -3.1970 -3.1970 -3.1968 -3.1968 -2.4195 -2.4195 -2.4194 -2.4194 -1.8885 -1.8885 -1.8879 -1.8879 -1.2887 -1.2887 -1.2881 -1.2881 5.1029 5.1029 5.1031 5.1031 5.7107 5.7107 5.7113 5.7113 6.2851 6.2851 k = 0.0000 0.2390 0.2914 ( 13048 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0700 -23.0700 -23.0695 -23.0695 -10.8158 -10.8158 -10.8158 -10.8158 -7.7639 -7.7639 -7.7639 -7.7639 -6.6023 -6.6023 -6.6023 -6.6023 -4.1305 -4.1305 -4.1303 -4.1303 -3.6843 -3.6843 -3.6841 -3.6841 -3.2025 -3.2025 -3.2023 -3.2023 -2.4221 -2.4221 -2.4220 -2.4220 -1.8879 -1.8879 -1.8873 -1.8873 -1.2968 -1.2968 -1.2962 -1.2962 5.1218 5.1218 5.1221 5.1221 5.7049 5.7049 5.7055 5.7055 6.2724 6.2724 k = 0.0000 0.2250 0.2914 ( 13048 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0700 -23.0700 -23.0695 -23.0695 -10.8185 -10.8185 -10.8184 -10.8184 -7.7604 -7.7604 -7.7604 -7.7604 -6.5915 -6.5915 -6.5914 -6.5914 -4.1312 -4.1312 -4.1310 -4.1310 -3.6922 -3.6922 -3.6921 -3.6921 -3.2078 -3.2078 -3.2075 -3.2075 -2.4245 -2.4245 -2.4244 -2.4244 -1.8874 -1.8874 -1.8868 -1.8868 -1.3052 -1.3052 -1.3046 -1.3046 5.1409 5.1409 5.1412 5.1412 5.6979 5.6979 5.6985 5.6985 6.2611 6.2611 k = 0.0000 0.2109 0.2914 ( 13040 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0746 -23.0746 -23.0699 -23.0699 -23.0695 -23.0695 -10.8212 -10.8212 -10.8212 -10.8212 -7.7569 -7.7569 -7.7569 -7.7569 -6.5801 -6.5801 -6.5801 -6.5801 -4.1318 -4.1318 -4.1316 -4.1316 -3.7014 -3.7014 -3.7013 -3.7013 -3.2126 -3.2126 -3.2123 -3.2123 -2.4266 -2.4266 -2.4264 -2.4264 -1.8869 -1.8869 -1.8863 -1.8863 -1.3138 -1.3138 -1.3132 -1.3132 5.1597 5.1597 5.1600 5.1600 5.6897 5.6897 5.6903 5.6903 6.2518 6.2518 k = 0.0000 0.1969 0.2914 ( 13030 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0746 -23.0746 -23.0699 -23.0699 -23.0695 -23.0695 -10.8239 -10.8239 -10.8239 -10.8239 -7.7535 -7.7535 -7.7534 -7.7534 -6.5684 -6.5684 -6.5683 -6.5683 -4.1324 -4.1324 -4.1322 -4.1322 -3.7118 -3.7118 -3.7116 -3.7116 -3.2168 -3.2168 -3.2165 -3.2165 -2.4283 -2.4283 -2.4281 -2.4281 -1.8864 -1.8864 -1.8859 -1.8859 -1.3225 -1.3225 -1.3219 -1.3219 5.1781 5.1781 5.1783 5.1783 5.6801 5.6801 5.6808 5.6808 6.2451 6.2451 k = 0.0000 0.1828 0.2914 ( 13044 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0699 -23.0699 -23.0695 -23.0695 -10.8267 -10.8267 -10.8267 -10.8267 -7.7501 -7.7501 -7.7500 -7.7500 -6.5564 -6.5564 -6.5563 -6.5563 -4.1329 -4.1329 -4.1327 -4.1327 -3.7233 -3.7233 -3.7231 -3.7231 -3.2205 -3.2205 -3.2202 -3.2202 -2.4296 -2.4296 -2.4295 -2.4295 -1.8860 -1.8860 -1.8855 -1.8855 -1.3313 -1.3313 -1.3307 -1.3307 5.1957 5.1957 5.1960 5.1960 5.6693 5.6693 5.6700 5.6700 6.2412 6.2412 k = 0.0000 0.1687 0.2914 ( 13044 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0699 -23.0699 -23.0695 -23.0695 -10.8294 -10.8294 -10.8294 -10.8294 -7.7468 -7.7468 -7.7468 -7.7468 -6.5443 -6.5443 -6.5442 -6.5442 -4.1333 -4.1333 -4.1331 -4.1331 -3.7357 -3.7357 -3.7355 -3.7355 -3.2234 -3.2234 -3.2231 -3.2231 -2.4307 -2.4307 -2.4304 -2.4304 -1.8857 -1.8857 -1.8852 -1.8852 -1.3400 -1.3400 -1.3394 -1.3394 5.2124 5.2124 5.2126 5.2126 5.6573 5.6573 5.6579 5.6579 6.2403 6.2403 k = 0.0000 0.1547 0.2914 ( 13064 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0699 -23.0699 -23.0695 -23.0695 -10.8320 -10.8320 -10.8320 -10.8320 -7.7436 -7.7436 -7.7436 -7.7436 -6.5322 -6.5322 -6.5322 -6.5322 -4.1335 -4.1335 -4.1333 -4.1333 -3.7489 -3.7489 -3.7487 -3.7487 -3.2257 -3.2257 -3.2254 -3.2254 -2.4313 -2.4313 -2.4311 -2.4311 -1.8854 -1.8854 -1.8849 -1.8849 -1.3485 -1.3485 -1.3480 -1.3480 5.2280 5.2280 5.2283 5.2283 5.6443 5.6443 5.6449 5.6449 6.2421 6.2421 k = 0.0000 0.1406 0.2914 ( 13068 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0700 -23.0700 -23.0695 -23.0695 -10.8345 -10.8345 -10.8345 -10.8345 -7.7407 -7.7407 -7.7407 -7.7407 -6.5204 -6.5204 -6.5203 -6.5203 -4.1336 -4.1336 -4.1334 -4.1334 -3.7625 -3.7625 -3.7624 -3.7624 -3.2273 -3.2273 -3.2270 -3.2270 -2.4317 -2.4317 -2.4314 -2.4314 -1.8852 -1.8852 -1.8847 -1.8847 -1.3567 -1.3567 -1.3562 -1.3562 5.2424 5.2424 5.2427 5.2427 5.6306 5.6306 5.6313 5.6313 6.2464 6.2464 k = 0.0000 0.1266 0.2914 ( 13068 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0699 -23.0699 -23.0695 -23.0695 -10.8369 -10.8369 -10.8369 -10.8369 -7.7380 -7.7380 -7.7379 -7.7379 -6.5089 -6.5089 -6.5089 -6.5089 -4.1335 -4.1335 -4.1333 -4.1333 -3.7764 -3.7764 -3.7762 -3.7762 -3.2284 -3.2284 -3.2281 -3.2281 -2.4318 -2.4318 -2.4315 -2.4315 -1.8850 -1.8850 -1.8845 -1.8845 -1.3645 -1.3645 -1.3640 -1.3640 5.2556 5.2556 5.2559 5.2559 5.6167 5.6167 5.6174 5.6174 6.2527 6.2527 k = 0.0000 0.1125 0.2914 ( 13066 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0699 -23.0699 -23.0695 -23.0695 -10.8391 -10.8391 -10.8391 -10.8391 -7.7355 -7.7355 -7.7354 -7.7354 -6.4981 -6.4981 -6.4980 -6.4980 -4.1333 -4.1333 -4.1330 -4.1330 -3.7901 -3.7901 -3.7900 -3.7900 -3.2290 -3.2290 -3.2287 -3.2287 -2.4316 -2.4316 -2.4314 -2.4314 -1.8849 -1.8849 -1.8844 -1.8844 -1.3718 -1.3718 -1.3713 -1.3713 5.2676 5.2676 5.2678 5.2678 5.6030 5.6030 5.6037 5.6037 6.2605 6.2605 k = 0.0000 0.0984 0.2914 ( 13048 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0699 -23.0699 -23.0695 -23.0695 -10.8411 -10.8411 -10.8411 -10.8411 -7.7332 -7.7332 -7.7332 -7.7332 -6.4879 -6.4879 -6.4879 -6.4879 -4.1329 -4.1329 -4.1327 -4.1327 -3.8034 -3.8034 -3.8032 -3.8032 -3.2292 -3.2292 -3.2289 -3.2289 -2.4313 -2.4313 -2.4311 -2.4311 -1.8848 -1.8848 -1.8844 -1.8844 -1.3785 -1.3785 -1.3780 -1.3780 5.2781 5.2781 5.2783 5.2783 5.5898 5.5898 5.5905 5.5905 6.2691 6.2691 k = 0.0000 0.0844 0.2914 ( 13052 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0699 -23.0699 -23.0695 -23.0695 -10.8429 -10.8429 -10.8429 -10.8429 -7.7312 -7.7312 -7.7312 -7.7312 -6.4787 -6.4787 -6.4787 -6.4787 -4.1324 -4.1324 -4.1322 -4.1322 -3.8158 -3.8158 -3.8156 -3.8156 -3.2291 -3.2291 -3.2288 -3.2288 -2.4309 -2.4309 -2.4306 -2.4306 -1.8848 -1.8848 -1.8844 -1.8844 -1.3845 -1.3845 -1.3841 -1.3841 5.2874 5.2874 5.2875 5.2875 5.5776 5.5776 5.5782 5.5782 6.2780 6.2780 k = 0.0000 0.0703 0.2914 ( 13046 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0746 -23.0746 -23.0699 -23.0699 -23.0695 -23.0695 -10.8445 -10.8445 -10.8445 -10.8445 -7.7295 -7.7295 -7.7295 -7.7295 -6.4706 -6.4706 -6.4706 -6.4706 -4.1319 -4.1319 -4.1316 -4.1316 -3.8270 -3.8270 -3.8269 -3.8269 -3.2289 -3.2289 -3.2285 -3.2285 -2.4304 -2.4304 -2.4302 -2.4302 -1.8848 -1.8848 -1.8844 -1.8844 -1.3898 -1.3898 -1.3893 -1.3893 5.2952 5.2952 5.2954 5.2954 5.5667 5.5667 5.5673 5.5673 6.2865 6.2865 k = 0.0000 0.0562 0.2914 ( 13048 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0699 -23.0699 -23.0695 -23.0695 -10.8458 -10.8458 -10.8458 -10.8458 -7.7281 -7.7281 -7.7281 -7.7281 -6.4638 -6.4638 -6.4638 -6.4638 -4.1313 -4.1313 -4.1311 -4.1311 -3.8367 -3.8367 -3.8366 -3.8366 -3.2285 -3.2285 -3.2282 -3.2282 -2.4300 -2.4300 -2.4297 -2.4297 -1.8848 -1.8848 -1.8844 -1.8844 -1.3942 -1.3942 -1.3937 -1.3937 5.3017 5.3017 5.3018 5.3018 5.5573 5.5573 5.5579 5.5579 6.2943 6.2943 k = 0.0000 0.0422 0.2914 ( 13040 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2511 -23.2511 -23.0752 -23.0752 -23.0746 -23.0746 -23.0699 -23.0699 -23.0695 -23.0695 -10.8468 -10.8468 -10.8468 -10.8468 -7.7270 -7.7270 -7.7270 -7.7270 -6.4583 -6.4583 -6.4583 -6.4583 -4.1308 -4.1308 -4.1305 -4.1305 -3.8446 -3.8446 -3.8445 -3.8445 -3.2281 -3.2281 -3.2278 -3.2278 -2.4296 -2.4296 -2.4293 -2.4293 -1.8848 -1.8848 -1.8844 -1.8844 -1.3976 -1.3976 -1.3972 -1.3972 5.3067 5.3067 5.3068 5.3068 5.5498 5.5498 5.5504 5.5504 6.3008 6.3008 k = 0.0000 0.0281 0.2914 ( 13032 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2511 -23.2511 -23.0752 -23.0752 -23.0746 -23.0746 -23.0699 -23.0699 -23.0695 -23.0695 -10.8476 -10.8476 -10.8475 -10.8475 -7.7263 -7.7263 -7.7263 -7.7263 -6.4543 -6.4543 -6.4543 -6.4543 -4.1304 -4.1304 -4.1301 -4.1301 -3.8505 -3.8505 -3.8504 -3.8504 -3.2278 -3.2278 -3.2275 -3.2275 -2.4292 -2.4292 -2.4290 -2.4290 -1.8849 -1.8849 -1.8845 -1.8845 -1.4002 -1.4002 -1.3997 -1.3997 5.3104 5.3104 5.3104 5.3104 5.5443 5.5443 5.5449 5.5449 6.3057 6.3057 k = 0.0000 0.0141 0.2914 ( 13032 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2511 -23.2511 -23.0752 -23.0752 -23.0746 -23.0746 -23.0699 -23.0699 -23.0695 -23.0695 -10.8480 -10.8480 -10.8480 -10.8480 -7.7258 -7.7258 -7.7258 -7.7258 -6.4519 -6.4519 -6.4519 -6.4519 -4.1301 -4.1301 -4.1298 -4.1298 -3.8541 -3.8541 -3.8540 -3.8540 -3.2276 -3.2276 -3.2273 -3.2273 -2.4290 -2.4290 -2.4288 -2.4288 -1.8849 -1.8849 -1.8845 -1.8845 -1.4017 -1.4017 -1.4013 -1.4013 5.3125 5.3125 5.3126 5.3126 5.5409 5.5409 5.5415 5.5415 6.3087 6.3087 k = 0.0000 0.0000 0.2914 ( 13042 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0746 -23.0746 -23.0699 -23.0699 -23.0695 -23.0695 -10.8481 -10.8481 -10.8481 -10.8481 -7.7256 -7.7256 -7.7256 -7.7256 -6.4511 -6.4511 -6.4511 -6.4511 -4.1300 -4.1300 -4.1297 -4.1297 -3.8553 -3.8553 -3.8552 -3.8552 -3.2276 -3.2276 -3.2272 -3.2272 -2.4290 -2.4290 -2.4287 -2.4287 -1.8849 -1.8849 -1.8845 -1.8845 -1.4022 -1.4022 -1.4018 -1.4018 5.3133 5.3133 5.3133 5.3133 5.5398 5.5398 5.5403 5.5403 6.3097 6.3097 k = 0.0000 0.3937-0.0000 ( 13088 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2507 -23.2507 -23.0759 -23.0759 -23.0742 -23.0742 -23.0699 -23.0699 -23.0696 -23.0696 -10.9536 -10.9536 -10.6241 -10.6241 -7.9598 -7.9598 -7.5228 -7.5228 -7.0702 -7.0702 -6.3668 -6.3668 -4.1847 -4.1847 -4.1006 -4.1006 -3.8837 -3.8837 -3.3488 -3.3488 -3.2645 -3.2645 -3.0393 -3.0393 -2.4375 -2.4375 -2.3065 -2.3065 -2.0590 -2.0590 -1.7437 -1.7437 -1.5025 -1.5025 -1.0825 -1.0825 5.1066 5.1066 5.1913 5.1913 5.5508 5.5508 5.6737 5.6737 5.8906 5.8906 k = 0.0000 0.3937 0.0139 ( 13064 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0699 -23.0699 -23.0696 -23.0695 -10.9532 -10.9532 -10.6247 -10.6247 -7.9594 -7.9594 -7.5237 -7.5237 -7.0689 -7.0689 -6.3674 -6.3674 -4.1845 -4.1845 -4.1007 -4.1007 -3.8833 -3.8833 -3.3495 -3.3495 -3.2641 -3.2640 -3.0400 -3.0399 -2.4375 -2.4375 -2.3069 -2.3069 -2.0584 -2.0583 -1.7442 -1.7441 -1.5016 -1.5015 -1.0828 -1.0827 5.1057 5.1057 5.1913 5.1913 5.5485 5.5486 5.6742 5.6742 5.8924 5.8924 k = 0.0000 0.3937 0.0278 ( 13062 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2507 -23.2507 -23.0758 -23.0758 -23.0742 -23.0742 -23.0700 -23.0699 -23.0696 -23.0695 -10.9520 -10.9520 -10.6262 -10.6262 -7.9584 -7.9584 -7.5264 -7.5264 -7.0651 -7.0651 -6.3692 -6.3692 -4.1839 -4.1839 -4.1008 -4.1008 -3.8821 -3.8820 -3.3517 -3.3516 -3.2629 -3.2628 -3.0418 -3.0417 -2.4373 -2.4373 -2.3082 -2.3082 -2.0566 -2.0565 -1.7458 -1.7456 -1.4990 -1.4988 -1.0836 -1.0835 5.1032 5.1032 5.1911 5.1911 5.5420 5.5422 5.6757 5.6758 5.8976 5.8976 k = 0.0000 0.3937 0.0416 ( 13078 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2518 -23.2508 -23.2507 -23.0759 -23.0758 -23.0743 -23.0742 -23.0700 -23.0699 -23.0696 -23.0695 -10.9499 -10.9499 -10.6288 -10.6288 -7.9566 -7.9566 -7.5308 -7.5308 -7.0588 -7.0588 -6.3723 -6.3722 -4.1829 -4.1829 -4.1010 -4.1010 -3.8800 -3.8800 -3.3553 -3.3552 -3.2609 -3.2608 -3.0447 -3.0446 -2.4370 -2.4370 -2.3103 -2.3102 -2.0536 -2.0534 -1.7484 -1.7481 -1.4946 -1.4943 -1.0851 -1.0849 5.0990 5.0990 5.1904 5.1904 5.5323 5.5327 5.6783 5.6784 5.9061 5.9061 k = 0.0000 0.3937 0.0555 ( 13070 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2508 -23.2507 -23.0759 -23.0757 -23.0743 -23.0742 -23.0700 -23.0699 -23.0696 -23.0695 -10.9471 -10.9471 -10.6324 -10.6324 -7.9541 -7.9541 -7.5370 -7.5370 -7.0501 -7.0501 -6.3765 -6.3765 -4.1816 -4.1816 -4.1013 -4.1013 -3.8771 -3.8770 -3.3604 -3.3603 -3.2582 -3.2581 -3.0486 -3.0485 -2.4365 -2.4365 -2.3131 -2.3130 -2.0496 -2.0493 -1.7519 -1.7516 -1.4885 -1.4881 -1.0871 -1.0869 5.0934 5.0934 5.1887 5.1887 5.5210 5.5214 5.6822 5.6823 5.9177 5.9178 k = 0.0000 0.3937 0.0694 ( 13066 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2508 -23.2507 -23.0758 -23.0757 -23.0744 -23.0742 -23.0700 -23.0699 -23.0696 -23.0695 -10.9435 -10.9435 -10.6370 -10.6370 -7.9508 -7.9508 -7.5448 -7.5448 -7.0391 -7.0391 -6.3821 -6.3821 -4.1799 -4.1798 -4.1016 -4.1016 -3.8733 -3.8732 -3.3670 -3.3669 -3.2548 -3.2547 -3.0535 -3.0534 -2.4359 -2.4359 -2.3166 -2.3165 -2.0445 -2.0442 -1.7563 -1.7559 -1.4808 -1.4804 -1.0898 -1.0896 5.0865 5.0865 5.1854 5.1855 5.5098 5.5103 5.6873 5.6875 5.9322 5.9322 k = 0.0000 0.3937 0.0833 ( 13064 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2508 -23.2507 -23.0758 -23.0756 -23.0744 -23.0741 -23.0700 -23.0699 -23.0697 -23.0695 -10.9390 -10.9390 -10.6425 -10.6425 -7.9468 -7.9468 -7.5541 -7.5541 -7.0258 -7.0258 -6.3890 -6.3890 -4.1778 -4.1778 -4.1020 -4.1020 -3.8686 -3.8685 -3.3752 -3.3751 -3.2508 -3.2507 -3.0592 -3.0590 -2.4352 -2.4352 -2.3206 -2.3205 -2.0384 -2.0381 -1.7614 -1.7609 -1.4717 -1.4713 -1.0932 -1.0929 5.0785 5.0785 5.1799 5.1799 5.5005 5.5011 5.6937 5.6939 5.9492 5.9492 k = 0.0000 0.3937 0.0971 ( 13066 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2517 -23.2508 -23.2508 -23.0758 -23.0756 -23.0744 -23.0741 -23.0700 -23.0698 -23.0697 -23.0695 -10.9339 -10.9339 -10.6490 -10.6490 -7.9420 -7.9420 -7.5648 -7.5648 -7.0104 -7.0104 -6.3974 -6.3974 -4.1754 -4.1754 -4.1024 -4.1024 -3.8628 -3.8627 -3.3850 -3.3849 -3.2462 -3.2461 -3.0654 -3.0652 -2.4343 -2.4343 -2.3251 -2.3250 -2.0316 -2.0312 -1.7672 -1.7666 -1.4613 -1.4608 -1.0973 -1.0970 5.0697 5.0697 5.1716 5.1716 5.4947 5.4952 5.7013 5.7015 5.9685 5.9685 k = 0.0000 0.3937 0.1110 ( 13050 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2517 -23.2508 -23.2507 -23.0758 -23.0755 -23.0745 -23.0741 -23.0700 -23.0698 -23.0697 -23.0694 -10.9279 -10.9279 -10.6562 -10.6562 -7.9364 -7.9363 -7.5768 -7.5768 -6.9930 -6.9930 -6.4072 -6.4071 -4.1727 -4.1727 -4.1028 -4.1028 -3.8560 -3.8559 -3.3965 -3.3964 -3.2412 -3.2411 -3.0721 -3.0719 -2.4332 -2.4332 -2.3300 -2.3299 -2.0240 -2.0236 -1.7736 -1.7730 -1.4497 -1.4492 -1.1022 -1.1018 5.0603 5.0603 5.1603 5.1603 5.4933 5.4939 5.7100 5.7102 5.9898 5.9899 k = 0.0000 0.3937 0.1249 ( 13050 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2508 -23.2508 -23.0758 -23.0754 -23.0745 -23.0741 -23.0700 -23.0698 -23.0697 -23.0694 -10.9213 -10.9213 -10.6643 -10.6643 -7.9299 -7.9299 -7.5899 -7.5899 -6.9738 -6.9738 -6.4185 -6.4184 -4.1697 -4.1697 -4.1033 -4.1033 -3.8480 -3.8479 -3.4096 -3.4094 -3.2358 -3.2356 -3.0791 -3.0789 -2.4320 -2.4319 -2.3352 -2.3352 -2.0157 -2.0153 -1.7805 -1.7799 -1.4371 -1.4365 -1.1078 -1.1075 5.0506 5.0507 5.1462 5.1462 5.4968 5.4974 5.7195 5.7197 6.0130 6.0130 k = 0.0000 0.3937 0.1388 ( 13030 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2516 -23.2508 -23.2508 -23.0757 -23.0754 -23.0745 -23.0741 -23.0700 -23.0697 -23.0697 -23.0694 -10.9140 -10.9140 -10.6731 -10.6731 -7.9225 -7.9225 -7.6041 -7.6041 -6.9529 -6.9529 -6.4313 -6.4313 -4.1665 -4.1665 -4.1039 -4.1039 -3.8389 -3.8387 -3.4242 -3.4241 -3.2300 -3.2299 -3.0863 -3.0860 -2.4305 -2.4305 -2.3406 -2.3406 -2.0069 -2.0064 -1.7880 -1.7874 -1.4234 -1.4228 -1.1144 -1.1140 5.0409 5.0409 5.1300 5.1301 5.5052 5.5058 5.7296 5.7298 6.0377 6.0378 k = 0.0000 0.3937 0.1527 ( 13046 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2516 -23.2509 -23.2508 -23.0757 -23.0753 -23.0746 -23.0742 -23.0700 -23.0698 -23.0697 -23.0694 -10.9060 -10.9060 -10.6826 -10.6826 -7.9143 -7.9143 -7.6192 -7.6191 -6.9305 -6.9305 -6.4457 -6.4456 -4.1631 -4.1630 -4.1046 -4.1046 -3.8284 -3.8283 -3.4405 -3.4403 -3.2240 -3.2238 -3.0935 -3.0932 -2.4288 -2.4288 -2.3462 -2.3461 -1.9977 -1.9971 -1.7959 -1.7952 -1.4090 -1.4083 -1.1218 -1.1214 5.0313 5.0313 5.1125 5.1126 5.5178 5.5184 5.7399 5.7401 6.0637 6.0638 k = 0.0000 0.3937 0.1665 ( 13044 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2516 -23.2509 -23.2508 -23.0757 -23.0753 -23.0747 -23.0742 -23.0700 -23.0698 -23.0697 -23.0695 -10.8974 -10.8974 -10.6927 -10.6927 -7.9053 -7.9052 -7.6349 -7.6349 -6.9068 -6.9068 -6.4616 -6.4615 -4.1594 -4.1594 -4.1055 -4.1055 -3.8167 -3.8166 -3.4581 -3.4580 -3.2178 -3.2176 -3.1007 -3.1004 -2.4269 -2.4269 -2.3518 -2.3518 -1.9880 -1.9874 -1.8042 -1.8035 -1.3938 -1.3932 -1.1302 -1.1297 5.0221 5.0222 5.0945 5.0946 5.5342 5.5347 5.7500 5.7502 6.0909 6.0910 k = 0.0000 0.3937 0.1804 ( 13036 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2516 -23.2515 -23.2510 -23.2509 -23.0756 -23.0752 -23.0747 -23.0742 -23.0700 -23.0698 -23.0697 -23.0694 -10.8882 -10.8882 -10.7033 -10.7033 -7.8953 -7.8953 -7.6513 -7.6513 -6.8819 -6.8819 -6.4790 -6.4790 -4.1556 -4.1556 -4.1066 -4.1065 -3.8036 -3.8035 -3.4771 -3.4770 -3.2115 -3.2113 -3.1077 -3.1075 -2.4248 -2.4248 -2.3575 -2.3575 -1.9780 -1.9774 -1.8129 -1.8122 -1.3780 -1.3774 -1.1395 -1.1390 5.0136 5.0136 5.0767 5.0769 5.5535 5.5540 5.7592 5.7594 6.1188 6.1190 k = 0.0000 0.3937 0.1943 ( 13034 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2516 -23.2515 -23.2510 -23.2509 -23.0756 -23.0751 -23.0748 -23.0743 -23.0700 -23.0698 -23.0697 -23.0694 -10.8784 -10.8784 -10.7144 -10.7144 -7.8845 -7.8845 -7.6681 -7.6680 -6.8561 -6.8561 -6.4979 -6.4979 -4.1518 -4.1517 -4.1079 -4.1078 -3.7891 -3.7890 -3.4973 -3.4971 -3.2050 -3.2049 -3.1147 -3.1144 -2.4224 -2.4224 -2.3631 -2.3631 -1.9677 -1.9671 -1.8220 -1.8213 -1.3618 -1.3611 -1.1498 -1.1492 5.0058 5.0059 5.0598 5.0599 5.5751 5.5756 5.7670 5.7672 6.1474 6.1476 k = 0.0000 0.3937 0.2082 ( 13052 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2516 -23.2515 -23.2510 -23.2509 -23.0756 -23.0751 -23.0748 -23.0743 -23.0700 -23.0699 -23.0697 -23.0695 -10.8682 -10.8682 -10.7259 -10.7259 -7.8728 -7.8728 -7.6852 -7.6851 -6.8295 -6.8295 -6.5183 -6.5182 -4.1478 -4.1477 -4.1094 -4.1094 -3.7733 -3.7732 -3.5184 -3.5183 -3.1986 -3.1984 -3.1215 -3.1212 -2.4198 -2.4198 -2.3687 -2.3687 -1.9572 -1.9566 -1.8313 -1.8306 -1.3452 -1.3445 -1.1609 -1.1604 4.9991 4.9992 5.0441 5.0443 5.5983 5.5988 5.7728 5.7729 6.1765 6.1767 k = 0.0000 0.3937 0.2220 ( 13060 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2515 -23.2514 -23.2511 -23.2510 -23.0755 -23.0750 -23.0749 -23.0744 -23.0700 -23.0699 -23.0697 -23.0695 -10.8575 -10.8575 -10.7377 -10.7377 -7.8603 -7.8603 -7.7024 -7.7024 -6.8024 -6.8023 -6.5400 -6.5399 -4.1438 -4.1437 -4.1113 -4.1112 -3.7561 -3.7560 -3.5403 -3.5402 -3.1921 -3.1919 -3.1282 -3.1279 -2.4169 -2.4169 -2.3741 -2.3741 -1.9465 -1.9459 -1.8410 -1.8403 -1.3284 -1.3277 -1.1730 -1.1724 4.9935 4.9936 5.0301 5.0302 5.6226 5.6230 5.7757 5.7758 6.2060 6.2062 k = 0.0000 0.3937 0.2359 ( 13060 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2515 -23.2514 -23.2511 -23.2510 -23.0755 -23.0750 -23.0750 -23.0744 -23.0700 -23.0699 -23.0696 -23.0695 -10.8464 -10.8464 -10.7498 -10.7498 -7.8471 -7.8470 -7.7197 -7.7197 -6.7749 -6.7748 -6.5629 -6.5629 -4.1398 -4.1397 -4.1134 -4.1134 -3.7377 -3.7376 -3.5628 -3.5627 -3.1857 -3.1855 -3.1348 -3.1345 -2.4138 -2.4138 -2.3794 -2.3794 -1.9358 -1.9351 -1.8509 -1.8502 -1.3114 -1.3107 -1.1859 -1.1853 4.9893 4.9894 5.0178 5.0179 5.6472 5.6476 5.7754 5.7754 6.2361 6.2363 k = 0.0000 0.3937 0.2498 ( 13044 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2514 -23.2513 -23.2512 -23.2511 -23.0754 -23.0750 -23.0749 -23.0745 -23.0700 -23.0699 -23.0696 -23.0695 -10.8349 -10.8349 -10.7620 -10.7620 -7.8331 -7.8330 -7.7370 -7.7369 -6.7471 -6.7471 -6.5870 -6.5869 -4.1359 -4.1358 -4.1159 -4.1158 -3.7182 -3.7181 -3.5857 -3.5856 -3.1793 -3.1791 -3.1412 -3.1409 -2.4104 -2.4104 -2.3845 -2.3845 -1.9249 -1.9243 -1.8610 -1.8603 -1.2945 -1.2938 -1.1997 -1.1990 4.9866 4.9867 5.0074 5.0076 5.6714 5.6718 5.7712 5.7712 6.2671 6.2673 k = 0.0000 0.3937 0.2637 ( 13030 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2514 -23.2513 -23.2512 -23.2511 -23.0753 -23.0751 -23.0748 -23.0745 -23.0700 -23.0699 -23.0696 -23.0695 -10.8231 -10.8231 -10.7743 -10.7743 -7.8184 -7.8183 -7.7540 -7.7540 -6.7194 -6.7194 -6.6121 -6.6120 -4.1321 -4.1320 -4.1186 -4.1185 -3.6977 -3.6976 -3.6087 -3.6086 -3.1729 -3.1727 -3.1476 -3.1473 -2.4067 -2.4067 -2.3894 -2.3894 -1.9141 -1.9134 -1.8714 -1.8707 -1.2777 -1.2770 -1.2141 -1.2135 4.9854 4.9855 4.9991 4.9992 5.6946 5.6949 5.7630 5.7631 6.2993 6.2996 k = 0.0000 0.3937 0.2776 ( 13030 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2512 -23.2512 -23.2511 -23.0752 -23.0751 -23.0747 -23.0746 -23.0700 -23.0699 -23.0696 -23.0695 -10.8111 -10.8111 -10.7866 -10.7866 -7.8030 -7.8030 -7.7708 -7.7707 -6.6918 -6.6918 -6.6380 -6.6380 -4.1284 -4.1283 -4.1216 -4.1216 -3.6763 -3.6762 -3.6316 -3.6315 -3.1666 -3.1663 -3.1539 -3.1537 -2.4027 -2.4027 -2.3941 -2.3941 -1.9033 -1.9026 -1.8819 -1.8812 -1.2612 -1.2605 -1.2293 -1.2286 4.9860 4.9861 4.9928 4.9929 5.7160 5.7163 5.7508 5.7510 6.3333 6.3335 k = 0.0000 0.3937 0.2914 ( 13032 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2513 -23.2513 -23.2512 -23.2512 -23.0752 -23.0752 -23.0747 -23.0747 -23.0699 -23.0699 -23.0695 -23.0695 -10.7989 -10.7989 -10.7989 -10.7989 -7.7871 -7.7871 -7.7871 -7.7871 -6.6647 -6.6647 -6.6646 -6.6646 -4.1249 -4.1249 -4.1248 -4.1248 -3.6542 -3.6542 -3.6541 -3.6541 -3.1602 -3.1602 -3.1600 -3.1600 -2.3985 -2.3985 -2.3985 -2.3985 -1.8925 -1.8925 -1.8918 -1.8918 -1.2450 -1.2450 -1.2443 -1.2443 4.9884 4.9884 4.9886 4.9886 5.7350 5.7350 5.7352 5.7352 6.3693 6.3693 k = 0.5000-0.0000 0.2914 ( 13080 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0706 -23.0697 -23.0697 -10.7133 -10.7133 -10.7133 -10.7133 -7.7091 -7.7091 -7.7091 -7.7091 -6.3686 -6.3686 -6.3685 -6.3685 -4.6746 -4.6746 -4.6746 -4.6746 -3.5908 -3.5908 -3.5906 -3.5906 -3.3497 -3.3497 -3.3493 -3.3493 -2.6443 -2.6443 -2.6442 -2.6442 -2.3005 -2.3005 -2.3004 -2.3004 -1.2824 -1.2824 -1.2824 -1.2824 5.3131 5.3131 5.3131 5.3131 5.9923 5.9923 5.9924 5.9924 6.6379 6.6379 k = 0.5000-0.0000 0.2776 ( 13080 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0706 -23.0697 -23.0697 -10.7134 -10.7134 -10.7134 -10.7134 -7.7089 -7.7089 -7.7088 -7.7088 -6.3689 -6.3689 -6.3688 -6.3688 -4.6752 -4.6752 -4.6751 -4.6751 -3.5901 -3.5901 -3.5899 -3.5899 -3.3497 -3.3497 -3.3493 -3.3493 -2.6443 -2.6443 -2.6442 -2.6442 -2.3005 -2.3005 -2.3004 -2.3004 -1.2825 -1.2825 -1.2825 -1.2825 5.3135 5.3135 5.3135 5.3135 5.9930 5.9930 5.9931 5.9931 6.6378 6.6378 k = 0.5000-0.0000 0.2637 ( 13076 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0706 -23.0697 -23.0697 -10.7134 -10.7134 -10.7134 -10.7134 -7.7081 -7.7081 -7.7081 -7.7081 -6.3696 -6.3696 -6.3695 -6.3695 -4.6769 -4.6769 -4.6768 -4.6768 -3.5879 -3.5879 -3.5877 -3.5877 -3.3498 -3.3498 -3.3494 -3.3494 -2.6442 -2.6442 -2.6441 -2.6441 -2.3006 -2.3006 -2.3005 -2.3005 -1.2828 -1.2828 -1.2828 -1.2828 5.3148 5.3148 5.3149 5.3149 5.9953 5.9953 5.9954 5.9954 6.6374 6.6374 k = 0.5000-0.0000 0.2498 ( 13088 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0706 -23.0697 -23.0697 -10.7135 -10.7135 -10.7135 -10.7135 -7.7069 -7.7069 -7.7068 -7.7068 -6.3708 -6.3708 -6.3707 -6.3707 -4.6796 -4.6796 -4.6796 -4.6796 -3.5842 -3.5842 -3.5840 -3.5840 -3.3500 -3.3500 -3.3496 -3.3496 -2.6440 -2.6440 -2.6439 -2.6439 -2.3009 -2.3009 -2.3008 -2.3008 -1.2833 -1.2833 -1.2833 -1.2833 5.3170 5.3170 5.3171 5.3171 5.9989 5.9989 5.9990 5.9990 6.6367 6.6367 k = 0.5000-0.0000 0.2359 ( 13078 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0762 -23.0762 -23.0752 -23.0752 -23.0706 -23.0706 -23.0697 -23.0697 -10.7137 -10.7137 -10.7137 -10.7137 -7.7051 -7.7051 -7.7051 -7.7051 -6.3725 -6.3725 -6.3724 -6.3724 -4.6834 -4.6834 -4.6833 -4.6833 -3.5793 -3.5793 -3.5791 -3.5791 -3.3502 -3.3502 -3.3498 -3.3498 -2.6437 -2.6437 -2.6435 -2.6435 -2.3013 -2.3013 -2.3012 -2.3012 -1.2841 -1.2841 -1.2840 -1.2840 5.3202 5.3202 5.3202 5.3202 6.0039 6.0039 6.0040 6.0040 6.6356 6.6356 k = 0.5000-0.0000 0.2220 ( 13084 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0762 -23.0762 -23.0752 -23.0752 -23.0705 -23.0705 -23.0697 -23.0697 -10.7139 -10.7139 -10.7139 -10.7139 -7.7030 -7.7030 -7.7030 -7.7030 -6.3746 -6.3746 -6.3745 -6.3745 -4.6880 -4.6880 -4.6880 -4.6880 -3.5732 -3.5732 -3.5730 -3.5730 -3.3505 -3.3505 -3.3501 -3.3501 -2.6431 -2.6431 -2.6429 -2.6429 -2.3019 -2.3019 -2.3018 -2.3018 -1.2849 -1.2849 -1.2849 -1.2849 5.3242 5.3242 5.3242 5.3242 6.0100 6.0100 6.0101 6.0101 6.6341 6.6341 k = 0.5000-0.0000 0.2082 ( 13086 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0762 -23.0762 -23.0753 -23.0753 -23.0705 -23.0705 -23.0697 -23.0697 -10.7141 -10.7141 -10.7141 -10.7141 -7.7005 -7.7005 -7.7004 -7.7004 -6.3770 -6.3770 -6.3769 -6.3769 -4.6934 -4.6934 -4.6933 -4.6933 -3.5661 -3.5661 -3.5658 -3.5658 -3.3508 -3.3508 -3.3505 -3.3505 -2.6422 -2.6422 -2.6420 -2.6420 -2.3029 -2.3029 -2.3028 -2.3028 -1.2859 -1.2859 -1.2858 -1.2858 5.3291 5.3291 5.3292 5.3292 6.0171 6.0171 6.0172 6.0172 6.6320 6.6320 k = 0.5000-0.0000 0.1943 ( 13070 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0761 -23.0761 -23.0753 -23.0753 -23.0705 -23.0705 -23.0697 -23.0697 -10.7144 -10.7144 -10.7143 -10.7143 -7.6976 -7.6976 -7.6976 -7.6976 -6.3798 -6.3798 -6.3797 -6.3797 -4.6994 -4.6994 -4.6993 -4.6993 -3.5581 -3.5581 -3.5579 -3.5579 -3.3513 -3.3513 -3.3509 -3.3509 -2.6408 -2.6408 -2.6407 -2.6407 -2.3044 -2.3044 -2.3043 -2.3043 -1.2869 -1.2869 -1.2869 -1.2869 5.3350 5.3350 5.3351 5.3351 6.0249 6.0249 6.0250 6.0250 6.6294 6.6294 k = 0.5000-0.0000 0.1804 ( 13080 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0761 -23.0761 -23.0753 -23.0753 -23.0705 -23.0705 -23.0697 -23.0697 -10.7146 -10.7146 -10.7146 -10.7146 -7.6945 -7.6945 -7.6944 -7.6944 -6.3829 -6.3829 -6.3828 -6.3828 -4.7058 -4.7058 -4.7058 -4.7058 -3.5495 -3.5495 -3.5493 -3.5493 -3.3518 -3.3518 -3.3515 -3.3515 -2.6391 -2.6391 -2.6389 -2.6389 -2.3064 -2.3064 -2.3063 -2.3063 -1.2879 -1.2879 -1.2879 -1.2879 5.3419 5.3419 5.3420 5.3420 6.0331 6.0331 6.0332 6.0332 6.6265 6.6265 k = 0.5000-0.0000 0.1665 ( 13090 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2518 -23.2518 -23.0761 -23.0761 -23.0753 -23.0753 -23.0705 -23.0705 -23.0698 -23.0698 -10.7149 -10.7149 -10.7149 -10.7149 -7.6911 -7.6911 -7.6911 -7.6911 -6.3861 -6.3861 -6.3860 -6.3860 -4.7125 -4.7125 -4.7125 -4.7125 -3.5404 -3.5404 -3.5402 -3.5402 -3.3525 -3.3525 -3.3521 -3.3521 -2.6367 -2.6367 -2.6366 -2.6366 -2.3090 -2.3090 -2.3089 -2.3089 -1.2889 -1.2889 -1.2889 -1.2889 5.3496 5.3496 5.3497 5.3497 6.0412 6.0412 6.0414 6.0414 6.6235 6.6235 k = 0.5000-0.0000 0.1527 ( 13076 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0760 -23.0760 -23.0753 -23.0753 -23.0704 -23.0704 -23.0698 -23.0698 -10.7152 -10.7152 -10.7152 -10.7152 -7.6876 -7.6876 -7.6876 -7.6876 -6.3895 -6.3895 -6.3894 -6.3894 -4.7194 -4.7194 -4.7194 -4.7194 -3.5311 -3.5311 -3.5309 -3.5309 -3.3532 -3.3532 -3.3528 -3.3528 -2.6338 -2.6338 -2.6337 -2.6337 -2.3121 -2.3121 -2.3120 -2.3120 -1.2899 -1.2899 -1.2899 -1.2899 5.3582 5.3582 5.3583 5.3583 6.0488 6.0488 6.0490 6.0490 6.6207 6.6207 k = 0.5000-0.0000 0.1388 ( 13072 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0760 -23.0760 -23.0753 -23.0753 -23.0704 -23.0704 -23.0698 -23.0698 -10.7155 -10.7155 -10.7155 -10.7155 -7.6841 -7.6841 -7.6841 -7.6841 -6.3930 -6.3930 -6.3929 -6.3929 -4.7262 -4.7262 -4.7262 -4.7262 -3.5218 -3.5218 -3.5216 -3.5216 -3.3540 -3.3540 -3.3537 -3.3537 -2.6304 -2.6304 -2.6302 -2.6302 -2.3159 -2.3159 -2.3158 -2.3158 -1.2908 -1.2908 -1.2908 -1.2908 5.3676 5.3676 5.3677 5.3677 6.0554 6.0554 6.0556 6.0556 6.6184 6.6184 k = 0.5000-0.0000 0.1249 ( 13066 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0760 -23.0760 -23.0754 -23.0754 -23.0704 -23.0704 -23.0698 -23.0698 -10.7158 -10.7158 -10.7158 -10.7158 -7.6806 -7.6806 -7.6805 -7.6805 -6.3964 -6.3964 -6.3964 -6.3964 -4.7329 -4.7329 -4.7329 -4.7329 -3.5127 -3.5127 -3.5125 -3.5125 -3.3548 -3.3548 -3.3545 -3.3545 -2.6263 -2.6263 -2.6262 -2.6262 -2.3203 -2.3203 -2.3202 -2.3202 -1.2916 -1.2916 -1.2915 -1.2915 5.3776 5.3776 5.3777 5.3777 6.0605 6.0605 6.0608 6.0608 6.6172 6.6172 k = 0.5000-0.0000 0.1110 ( 13050 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0759 -23.0759 -23.0754 -23.0754 -23.0703 -23.0703 -23.0698 -23.0698 -10.7161 -10.7161 -10.7161 -10.7161 -7.6771 -7.6771 -7.6771 -7.6771 -6.3998 -6.3998 -6.3997 -6.3997 -4.7393 -4.7393 -4.7392 -4.7392 -3.5039 -3.5039 -3.5037 -3.5037 -3.3558 -3.3558 -3.3555 -3.3555 -2.6218 -2.6218 -2.6217 -2.6217 -2.3251 -2.3251 -2.3250 -2.3250 -1.2922 -1.2922 -1.2922 -1.2922 5.3880 5.3880 5.3882 5.3882 6.0639 6.0639 6.0642 6.0642 6.6173 6.6173 k = 0.5000-0.0000 0.0971 ( 13030 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0759 -23.0759 -23.0754 -23.0754 -23.0703 -23.0703 -23.0698 -23.0698 -10.7164 -10.7164 -10.7164 -10.7164 -7.6739 -7.6739 -7.6739 -7.6739 -6.4030 -6.4030 -6.4029 -6.4029 -4.7452 -4.7452 -4.7451 -4.7451 -3.4956 -3.4956 -3.4954 -3.4954 -3.3568 -3.3568 -3.3565 -3.3565 -2.6170 -2.6170 -2.6169 -2.6169 -2.3303 -2.3303 -2.3302 -2.3302 -1.2928 -1.2928 -1.2928 -1.2928 5.3987 5.3987 5.3988 5.3988 6.0654 6.0654 6.0657 6.0657 6.6190 6.6190 k = 0.5000-0.0000 0.0833 ( 13034 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0758 -23.0758 -23.0754 -23.0754 -23.0703 -23.0703 -23.0699 -23.0699 -10.7166 -10.7166 -10.7166 -10.7166 -7.6709 -7.6709 -7.6709 -7.6709 -6.4059 -6.4059 -6.4059 -6.4059 -4.7505 -4.7505 -4.7505 -4.7505 -3.4881 -3.4881 -3.4879 -3.4879 -3.3577 -3.3577 -3.3575 -3.3575 -2.6120 -2.6120 -2.6119 -2.6119 -2.3357 -2.3357 -2.3356 -2.3356 -1.2932 -1.2932 -1.2932 -1.2932 5.4093 5.4093 5.4094 5.4094 6.0650 6.0650 6.0652 6.0652 6.6222 6.6222 k = 0.5000-0.0000 0.0694 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0758 -23.0758 -23.0754 -23.0754 -23.0702 -23.0702 -23.0699 -23.0699 -10.7169 -10.7169 -10.7169 -10.7169 -7.6682 -7.6682 -7.6682 -7.6682 -6.4086 -6.4086 -6.4085 -6.4085 -4.7552 -4.7552 -4.7552 -4.7552 -3.4813 -3.4813 -3.4812 -3.4812 -3.3587 -3.3587 -3.3585 -3.3585 -2.6071 -2.6071 -2.6070 -2.6070 -2.3409 -2.3409 -2.3409 -2.3409 -1.2936 -1.2936 -1.2935 -1.2935 5.4193 5.4193 5.4194 5.4194 6.0630 6.0630 6.0633 6.0633 6.6267 6.6267 k = 0.5000-0.0000 0.0555 ( 13012 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0757 -23.0757 -23.0754 -23.0754 -23.0702 -23.0702 -23.0699 -23.0699 -10.7170 -10.7170 -10.7170 -10.7170 -7.6660 -7.6660 -7.6659 -7.6659 -6.4108 -6.4108 -6.4108 -6.4108 -4.7592 -4.7592 -4.7592 -4.7592 -3.4756 -3.4756 -3.4755 -3.4755 -3.3596 -3.3596 -3.3594 -3.3594 -2.6024 -2.6024 -2.6023 -2.6023 -2.3459 -2.3459 -2.3458 -2.3458 -1.2938 -1.2938 -1.2938 -1.2938 5.4285 5.4285 5.4286 5.4286 6.0600 6.0600 6.0602 6.0602 6.6319 6.6319 k = 0.5000-0.0000 0.0416 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0757 -23.0757 -23.0755 -23.0755 -23.0702 -23.0702 -23.0700 -23.0700 -10.7172 -10.7172 -10.7172 -10.7172 -7.6641 -7.6641 -7.6641 -7.6641 -6.4126 -6.4126 -6.4126 -6.4126 -4.7623 -4.7623 -4.7623 -4.7623 -3.4710 -3.4710 -3.4709 -3.4709 -3.3604 -3.3604 -3.3602 -3.3602 -2.5984 -2.5984 -2.5983 -2.5983 -2.3501 -2.3501 -2.3501 -2.3501 -1.2940 -1.2940 -1.2940 -1.2940 5.4362 5.4362 5.4363 5.4363 6.0567 6.0567 6.0568 6.0568 6.6371 6.6371 k = 0.5000-0.0000 0.0278 ( 13020 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0757 -23.0757 -23.0755 -23.0755 -23.0701 -23.0701 -23.0700 -23.0700 -10.7173 -10.7173 -10.7173 -10.7173 -7.6628 -7.6628 -7.6628 -7.6628 -6.4139 -6.4139 -6.4139 -6.4139 -4.7646 -4.7646 -4.7646 -4.7646 -3.4676 -3.4676 -3.4675 -3.4675 -3.3609 -3.3609 -3.3609 -3.3609 -2.5952 -2.5952 -2.5952 -2.5952 -2.3534 -2.3534 -2.3534 -2.3534 -1.2941 -1.2941 -1.2941 -1.2941 5.4421 5.4421 5.4422 5.4422 6.0536 6.0536 6.0538 6.0538 6.6416 6.6416 k = 0.5000-0.0000 0.0139 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0756 -23.0756 -23.0755 -23.0755 -23.0701 -23.0701 -23.0700 -23.0700 -10.7174 -10.7174 -10.7174 -10.7174 -7.6619 -7.6619 -7.6619 -7.6619 -6.4147 -6.4147 -6.4147 -6.4147 -4.7660 -4.7660 -4.7660 -4.7660 -3.4655 -3.4655 -3.4655 -3.4655 -3.3613 -3.3613 -3.3613 -3.3613 -2.5932 -2.5932 -2.5932 -2.5932 -2.3555 -2.3555 -2.3555 -2.3555 -1.2941 -1.2941 -1.2941 -1.2941 5.4459 5.4459 5.4459 5.4459 6.0516 6.0516 6.0516 6.0516 6.6446 6.6446 k = 0.5000-0.0000-0.0000 ( 13018 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2517 -23.2517 -23.2517 -23.2517 -23.0756 -23.0756 -23.0756 -23.0756 -23.0701 -23.0701 -23.0701 -23.0701 -10.7174 -10.7174 -10.7174 -10.7174 -7.6617 -7.6617 -7.6617 -7.6617 -6.4150 -6.4150 -6.4150 -6.4150 -4.7665 -4.7665 -4.7665 -4.7665 -3.4648 -3.4648 -3.4648 -3.4648 -3.3614 -3.3614 -3.3614 -3.3614 -2.5925 -2.5925 -2.5925 -2.5925 -2.3562 -2.3562 -2.3562 -2.3562 -1.2942 -1.2942 -1.2942 -1.2942 5.4472 5.4472 5.4472 5.4472 6.0509 6.0509 6.0509 6.0509 6.6457 6.6457 k = 0.5000 0.3937-0.0000 ( 13096 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2519 -23.2519 -23.2519 -23.2519 -23.0757 -23.0757 -23.0757 -23.0757 -23.0702 -23.0702 -23.0702 -23.0702 -10.6866 -10.6866 -10.6866 -10.6866 -7.6328 -7.6328 -7.6328 -7.6328 -6.6264 -6.6264 -6.6264 -6.6264 -4.7404 -4.7404 -4.7404 -4.7404 -3.6287 -3.6287 -3.6287 -3.6287 -3.2289 -3.2289 -3.2289 -3.2289 -2.6088 -2.6088 -2.6088 -2.6088 -2.1208 -2.1208 -2.1208 -2.1208 -1.2082 -1.2082 -1.2082 -1.2082 5.8291 5.8291 5.8291 5.8291 6.2829 6.2829 6.2829 6.2829 6.3542 6.3542 k = 0.5000 0.3937 0.0139 ( 13084 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0757 -23.0757 -23.0757 -23.0757 -23.0702 -23.0702 -23.0702 -23.0702 -10.6866 -10.6866 -10.6866 -10.6866 -7.6330 -7.6330 -7.6330 -7.6330 -6.6261 -6.6261 -6.6261 -6.6261 -4.7409 -4.7409 -4.7409 -4.7409 -3.6281 -3.6281 -3.6281 -3.6281 -3.2282 -3.2282 -3.2282 -3.2282 -2.6085 -2.6085 -2.6085 -2.6085 -2.1218 -2.1218 -2.1218 -2.1218 -1.2087 -1.2087 -1.2086 -1.2086 5.8251 5.8251 5.8252 5.8252 6.2768 6.2768 6.2774 6.2774 6.3660 6.3660 k = 0.5000 0.3937 0.0278 ( 13080 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0758 -23.0758 -23.0756 -23.0756 -23.0703 -23.0703 -23.0701 -23.0701 -10.6865 -10.6865 -10.6865 -10.6865 -7.6336 -7.6336 -7.6335 -7.6335 -6.6255 -6.6255 -6.6254 -6.6254 -4.7424 -4.7424 -4.7423 -4.7423 -3.6264 -3.6264 -3.6263 -3.6263 -3.2262 -3.2262 -3.2261 -3.2261 -2.6077 -2.6077 -2.6077 -2.6077 -2.1246 -2.1246 -2.1246 -2.1246 -1.2100 -1.2100 -1.2099 -1.2099 5.8138 5.8138 5.8140 5.8140 6.2669 6.2669 6.2677 6.2677 6.3942 6.3942 k = 0.5000 0.3937 0.0416 ( 13080 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0758 -23.0758 -23.0756 -23.0756 -23.0703 -23.0703 -23.0701 -23.0701 -10.6864 -10.6864 -10.6864 -10.6864 -7.6345 -7.6345 -7.6345 -7.6345 -6.6243 -6.6243 -6.6243 -6.6243 -4.7448 -4.7448 -4.7448 -4.7448 -3.6234 -3.6234 -3.6234 -3.6234 -3.2227 -3.2227 -3.2227 -3.2227 -2.6063 -2.6063 -2.6063 -2.6063 -2.1293 -2.1293 -2.1292 -2.1292 -1.2121 -1.2121 -1.2120 -1.2120 5.7961 5.7961 5.7964 5.7964 6.2601 6.2601 6.2610 6.2610 6.4301 6.4301 k = 0.5000 0.3937 0.0555 ( 13076 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0758 -23.0758 -23.0755 -23.0755 -23.0703 -23.0703 -23.0701 -23.0701 -10.6863 -10.6863 -10.6863 -10.6863 -7.6359 -7.6359 -7.6358 -7.6358 -6.6228 -6.6228 -6.6227 -6.6227 -4.7481 -4.7481 -4.7481 -4.7481 -3.6194 -3.6194 -3.6194 -3.6194 -3.2181 -3.2181 -3.2180 -3.2180 -2.6044 -2.6044 -2.6043 -2.6043 -2.1357 -2.1357 -2.1356 -2.1356 -1.2150 -1.2150 -1.2149 -1.2149 5.7734 5.7734 5.7737 5.7737 6.2584 6.2584 6.2593 6.2593 6.4703 6.4703 k = 0.5000 0.3937 0.0694 ( 13068 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0758 -23.0758 -23.0755 -23.0755 -23.0703 -23.0703 -23.0700 -23.0700 -10.6862 -10.6862 -10.6862 -10.6862 -7.6375 -7.6375 -7.6375 -7.6375 -6.6209 -6.6209 -6.6208 -6.6208 -4.7523 -4.7523 -4.7522 -4.7522 -3.6143 -3.6143 -3.6142 -3.6142 -3.2123 -3.2123 -3.2122 -3.2122 -2.6020 -2.6020 -2.6019 -2.6019 -2.1437 -2.1437 -2.1436 -2.1436 -1.2186 -1.2186 -1.2185 -1.2185 5.7471 5.7471 5.7474 5.7474 6.2620 6.2620 6.2629 6.2629 6.5125 6.5125 k = 0.5000 0.3937 0.0833 ( 13044 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0759 -23.0759 -23.0754 -23.0754 -23.0703 -23.0703 -23.0700 -23.0700 -10.6860 -10.6860 -10.6860 -10.6860 -7.6394 -7.6394 -7.6394 -7.6394 -6.6186 -6.6186 -6.6185 -6.6185 -4.7571 -4.7571 -4.7571 -4.7571 -3.6081 -3.6081 -3.6081 -3.6081 -3.2055 -3.2055 -3.2054 -3.2054 -2.5991 -2.5991 -2.5990 -2.5990 -2.1532 -2.1532 -2.1531 -2.1531 -1.2229 -1.2229 -1.2228 -1.2228 5.7187 5.7187 5.7190 5.7190 6.2703 6.2703 6.2712 6.2712 6.5553 6.5553 k = 0.5000 0.3937 0.0971 ( 13048 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0759 -23.0759 -23.0754 -23.0754 -23.0704 -23.0704 -23.0699 -23.0699 -10.6858 -10.6858 -10.6858 -10.6858 -7.6416 -7.6416 -7.6415 -7.6415 -6.6160 -6.6160 -6.6159 -6.6159 -4.7626 -4.7626 -4.7625 -4.7625 -3.6011 -3.6011 -3.6010 -3.6010 -3.1980 -3.1980 -3.1978 -3.1978 -2.5958 -2.5958 -2.5957 -2.5957 -2.1640 -2.1640 -2.1639 -2.1639 -1.2278 -1.2278 -1.2276 -1.2276 5.6892 5.6892 5.6895 5.6895 6.2827 6.2827 6.2836 6.2836 6.5976 6.5976 k = 0.5000 0.3937 0.1110 ( 13048 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0759 -23.0759 -23.0754 -23.0754 -23.0704 -23.0704 -23.0699 -23.0699 -10.6856 -10.6856 -10.6856 -10.6856 -7.6439 -7.6439 -7.6439 -7.6439 -6.6133 -6.6133 -6.6131 -6.6131 -4.7685 -4.7685 -4.7684 -4.7684 -3.5932 -3.5932 -3.5931 -3.5931 -3.1898 -3.1898 -3.1896 -3.1896 -2.5922 -2.5922 -2.5921 -2.5921 -2.1759 -2.1759 -2.1757 -2.1757 -1.2332 -1.2332 -1.2330 -1.2330 5.6597 5.6597 5.6600 5.6600 6.2987 6.2987 6.2996 6.2996 6.6384 6.6384 k = 0.5000 0.3937 0.1249 ( 13044 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0760 -23.0760 -23.0753 -23.0753 -23.0704 -23.0704 -23.0699 -23.0699 -10.6854 -10.6854 -10.6854 -10.6854 -7.6464 -7.6464 -7.6464 -7.6464 -6.6103 -6.6103 -6.6102 -6.6102 -4.7748 -4.7748 -4.7747 -4.7747 -3.5846 -3.5846 -3.5846 -3.5846 -3.1813 -3.1813 -3.1811 -3.1811 -2.5884 -2.5884 -2.5882 -2.5882 -2.1886 -2.1886 -2.1884 -2.1884 -1.2389 -1.2389 -1.2388 -1.2388 5.6308 5.6308 5.6310 5.6310 6.3177 6.3177 6.3185 6.3185 6.6767 6.6767 k = 0.5000 0.3937 0.1388 ( 13044 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2518 -23.2518 -23.0760 -23.0760 -23.0753 -23.0753 -23.0704 -23.0704 -23.0698 -23.0698 -10.6851 -10.6851 -10.6851 -10.6851 -7.6490 -7.6490 -7.6489 -7.6489 -6.6073 -6.6073 -6.6071 -6.6071 -4.7813 -4.7813 -4.7812 -4.7812 -3.5756 -3.5756 -3.5755 -3.5755 -3.1725 -3.1725 -3.1723 -3.1723 -2.5844 -2.5844 -2.5842 -2.5842 -2.2019 -2.2019 -2.2017 -2.2017 -1.2450 -1.2450 -1.2448 -1.2448 5.6031 5.6031 5.6033 5.6033 6.3391 6.3391 6.3399 6.3399 6.7119 6.7119 k = 0.5000 0.3937 0.1527 ( 13028 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0760 -23.0760 -23.0753 -23.0753 -23.0705 -23.0705 -23.0698 -23.0698 -10.6849 -10.6849 -10.6849 -10.6849 -7.6515 -7.6515 -7.6515 -7.6515 -6.6042 -6.6042 -6.6040 -6.6040 -4.7878 -4.7878 -4.7877 -4.7877 -3.5661 -3.5661 -3.5661 -3.5661 -3.1636 -3.1636 -3.1634 -3.1634 -2.5803 -2.5803 -2.5801 -2.5801 -2.2155 -2.2155 -2.2153 -2.2153 -1.2511 -1.2511 -1.2510 -1.2510 5.5769 5.5769 5.5772 5.5772 6.3624 6.3624 6.3632 6.3632 6.7433 6.7433 k = 0.5000 0.3937 0.1665 ( 13036 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0760 -23.0760 -23.0752 -23.0752 -23.0705 -23.0705 -23.0698 -23.0698 -10.6847 -10.6847 -10.6846 -10.6846 -7.6541 -7.6541 -7.6540 -7.6540 -6.6011 -6.6011 -6.6010 -6.6010 -4.7942 -4.7942 -4.7941 -4.7941 -3.5566 -3.5566 -3.5565 -3.5565 -3.1550 -3.1550 -3.1547 -3.1547 -2.5762 -2.5762 -2.5760 -2.5760 -2.2291 -2.2291 -2.2288 -2.2288 -1.2573 -1.2573 -1.2571 -1.2571 5.5527 5.5527 5.5529 5.5529 6.3871 6.3871 6.3878 6.3878 6.7706 6.7706 k = 0.5000 0.3937 0.1804 ( 13040 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0752 -23.0752 -23.0705 -23.0705 -23.0698 -23.0698 -10.6844 -10.6844 -10.6844 -10.6844 -7.6565 -7.6565 -7.6564 -7.6564 -6.5982 -6.5982 -6.5980 -6.5980 -4.8004 -4.8004 -4.8003 -4.8003 -3.5472 -3.5472 -3.5471 -3.5471 -3.1466 -3.1466 -3.1464 -3.1464 -2.5724 -2.5724 -2.5721 -2.5721 -2.2423 -2.2423 -2.2421 -2.2421 -1.2634 -1.2634 -1.2632 -1.2632 5.5306 5.5306 5.5308 5.5308 6.4126 6.4126 6.4132 6.4132 6.7934 6.7934 k = 0.5000 0.3937 0.1943 ( 13024 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0752 -23.0752 -23.0705 -23.0705 -23.0697 -23.0697 -10.6842 -10.6842 -10.6842 -10.6842 -7.6588 -7.6588 -7.6587 -7.6587 -6.5954 -6.5954 -6.5953 -6.5953 -4.8062 -4.8062 -4.8061 -4.8061 -3.5381 -3.5381 -3.5380 -3.5380 -3.1388 -3.1388 -3.1385 -3.1385 -2.5687 -2.5687 -2.5685 -2.5685 -2.2548 -2.2548 -2.2546 -2.2546 -1.2691 -1.2691 -1.2689 -1.2689 5.5109 5.5109 5.5111 5.5111 6.4381 6.4381 6.4388 6.4388 6.8117 6.8117 k = 0.5000 0.3937 0.2082 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0752 -23.0752 -23.0705 -23.0705 -23.0697 -23.0697 -10.6840 -10.6840 -10.6840 -10.6840 -7.6609 -7.6609 -7.6608 -7.6608 -6.5929 -6.5929 -6.5927 -6.5927 -4.8115 -4.8115 -4.8114 -4.8114 -3.5295 -3.5295 -3.5295 -3.5295 -3.1316 -3.1316 -3.1313 -3.1313 -2.5655 -2.5655 -2.5653 -2.5653 -2.2664 -2.2664 -2.2662 -2.2662 -1.2745 -1.2745 -1.2743 -1.2743 5.4935 5.4935 5.4937 5.4937 6.4631 6.4631 6.4637 6.4637 6.8256 6.8256 k = 0.5000 0.3937 0.2220 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0752 -23.0752 -23.0705 -23.0705 -23.0697 -23.0697 -10.6839 -10.6839 -10.6838 -10.6838 -7.6627 -7.6627 -7.6626 -7.6626 -6.5906 -6.5906 -6.5905 -6.5905 -4.8162 -4.8162 -4.8161 -4.8161 -3.5218 -3.5218 -3.5218 -3.5218 -3.1252 -3.1252 -3.1249 -3.1249 -2.5627 -2.5627 -2.5625 -2.5625 -2.2767 -2.2767 -2.2765 -2.2765 -1.2793 -1.2793 -1.2791 -1.2791 5.4787 5.4787 5.4789 5.4789 6.4867 6.4867 6.4873 6.4873 6.8355 6.8355 k = 0.5000 0.3937 0.2359 ( 13004 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6837 -10.6837 -10.6837 -10.6837 -7.6643 -7.6643 -7.6642 -7.6642 -6.5887 -6.5887 -6.5885 -6.5885 -4.8202 -4.8202 -4.8201 -4.8201 -3.5152 -3.5152 -3.5151 -3.5151 -3.1198 -3.1198 -3.1194 -3.1194 -2.5604 -2.5604 -2.5602 -2.5602 -2.2855 -2.2855 -2.2853 -2.2853 -1.2834 -1.2834 -1.2832 -1.2832 5.4665 5.4665 5.4667 5.4667 6.5081 6.5081 6.5085 6.5085 6.8420 6.8420 k = 0.5000 0.3937 0.2498 ( 12996 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6836 -10.6836 -10.6836 -10.6836 -7.6655 -7.6655 -7.6655 -7.6655 -6.5872 -6.5872 -6.5870 -6.5870 -4.8234 -4.8234 -4.8233 -4.8233 -3.5097 -3.5097 -3.5097 -3.5097 -3.1154 -3.1154 -3.1151 -3.1151 -2.5586 -2.5586 -2.5584 -2.5584 -2.2925 -2.2925 -2.2924 -2.2924 -1.2867 -1.2867 -1.2865 -1.2865 5.4570 5.4570 5.4571 5.4571 6.5262 6.5262 6.5266 6.5266 6.8456 6.8456 k = 0.5000 0.3937 0.2637 ( 13004 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6835 -10.6835 -10.6835 -10.6835 -7.6664 -7.6664 -7.6664 -7.6664 -6.5861 -6.5861 -6.5859 -6.5859 -4.8257 -4.8257 -4.8256 -4.8256 -3.5057 -3.5057 -3.5057 -3.5057 -3.1122 -3.1122 -3.1118 -3.1118 -2.5573 -2.5573 -2.5572 -2.5572 -2.2976 -2.2976 -2.2975 -2.2975 -1.2891 -1.2891 -1.2889 -1.2889 5.4502 5.4502 5.4503 5.4503 6.5401 6.5401 6.5403 6.5403 6.8474 6.8474 k = 0.5000 0.3937 0.2776 ( 13008 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6834 -10.6834 -10.6834 -10.6834 -7.6670 -7.6670 -7.6669 -7.6669 -6.5854 -6.5854 -6.5852 -6.5852 -4.8271 -4.8271 -4.8270 -4.8270 -3.5033 -3.5033 -3.5032 -3.5032 -3.1102 -3.1102 -3.1099 -3.1099 -2.5565 -2.5565 -2.5564 -2.5564 -2.3007 -2.3007 -2.3007 -2.3007 -1.2906 -1.2906 -1.2904 -1.2904 5.4461 5.4461 5.4462 5.4462 6.5489 6.5489 6.5490 6.5490 6.8481 6.8481 k = 0.5000 0.3937 0.2914 ( 13016 PWs) bands (ev): -51.2211 -51.2211 -51.2211 -51.2211 -23.2518 -23.2518 -23.2517 -23.2517 -23.0761 -23.0761 -23.0751 -23.0751 -23.0705 -23.0705 -23.0696 -23.0696 -10.6834 -10.6834 -10.6834 -10.6834 -7.6672 -7.6672 -7.6671 -7.6671 -6.5852 -6.5852 -6.5850 -6.5850 -4.8276 -4.8276 -4.8275 -4.8275 -3.5025 -3.5025 -3.5024 -3.5024 -3.1096 -3.1096 -3.1092 -3.1092 -2.5563 -2.5563 -2.5562 -2.5562 -2.3018 -2.3018 -2.3018 -2.3018 -1.2911 -1.2911 -1.2909 -1.2909 5.4447 5.4447 5.4448 5.4448 6.5519 6.5519 6.5519 6.5519 6.8482 6.8482 Writing output data file NaB3H8.save init_run : 0.80s CPU 0.55s WALL ( 1 calls) electrons : 570.00s CPU 436.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.03s CPU 0.03s WALL ( 1 calls) potinit : 0.20s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 569.99s CPU 436.55s WALL ( 1 calls) v_of_rho : 0.02s 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 : 0.06s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.48s CPU 0.52s WALL ( 348 calls) cegterg : 458.28s CPU 370.18s WALL ( 572 calls) Called by sum_band: Called by *egterg: h_psi : 384.07s CPU 264.16s WALL ( 8198 calls) s_psi : 14.07s CPU 10.83s WALL ( 8198 calls) g_psi : 0.99s CPU 0.90s WALL ( 7278 calls) cdiaghg : 84.34s CPU 81.77s WALL ( 7626 calls) cegterg:over : 23.20s CPU 22.53s WALL ( 7278 calls) cegterg:upda : 22.80s CPU 22.20s WALL ( 7278 calls) cegterg:last : 11.04s CPU 11.00s WALL ( 1268 calls) cdiaghg:chol : 4.73s CPU 4.75s WALL ( 7626 calls) cdiaghg:inve : 3.32s CPU 3.27s WALL ( 7626 calls) cdiaghg:para : 5.04s CPU 5.20s WALL ( 15252 calls) Called by h_psi: h_psi:vloc : 350.46s CPU 237.37s WALL ( 8198 calls) h_psi:vnl : 32.42s CPU 25.73s WALL ( 8198 calls) add_vuspsi : 14.86s CPU 11.59s WALL ( 8198 calls) General routines calbec : 17.51s CPU 14.12s WALL ( 8198 calls) fft : 0.05s CPU 0.02s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 334.41s CPU 224.39s WALL ( 1029336 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.75s CPU 7.61s WALL ( 696 calls) Parallel routines fft_scatter : 102.90s CPU 81.66s WALL ( 1029359 calls) PWSCF : 10m52.84s CPU 10m 9.36s WALL This run was terminated on: 20:39:42 3Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=