Program PWSCF v.5.4.0 starts on 12Feb2017 at 2:35:55 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & 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: ./Li2B2C.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 55 55 15 3219 3219 477 Max 56 56 16 3228 3228 486 Sum 2009 2009 561 116095 116095 17327 bravais-lattice index = 14 lattice parameter (alat) = 7.8214 a.u. unit-cell volume = 821.4120 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.821387 celldm(2)= 1.000000 celldm(3)= 1.716760 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.716760 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.582492 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 1.00) 8 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [1,1,0] cryst. s( 3) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 6) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E 2S4 -2S4 C2 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 G_7 2.00 -2.00 -1.41 1.41 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 2S4 7 8 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -7 -8 inv. 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2' -2C2' 3 -3 4 -4 180 deg rotation - cart. axis [1,1,0] 2s_d -2s_d 5 -5 6 -6 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 338 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0029586 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0029586 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0029586 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0029586 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0029586 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0029586 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0029586 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0029586 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0029586 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0029586 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0029586 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0029586 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0029586 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0029586 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0029586 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0029586 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0029586 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0029586 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0029586 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0029586 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0029586 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0029586 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0029586 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0029586 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0029586 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0029586 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0029586 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0029586 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0029586 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0029586 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0029586 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0029586 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0029586 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0029586 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0029586 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0029586 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0029586 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0029586 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0029586 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0029586 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0029586 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0029586 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0029586 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0029586 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0029586 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0029586 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0029586 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0029586 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0029586 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0029586 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0029586 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0029586 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0029586 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0029586 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0029586 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0029586 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0029586 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0029586 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0029586 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0029586 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0029586 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0029586 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0029586 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0029586 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0029586 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0029586 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0029586 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0029586 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0029586 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0029586 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0029586 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0029586 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0029586 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0029586 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029586 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029586 k( 80) = ( 0.4907407 0.4907407 -0.0000000), wk = 0.0029586 k( 81) = ( 0.4814815 0.4814815 -0.0000000), wk = 0.0029586 k( 82) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0029586 k( 83) = ( 0.4629630 0.4629630 -0.0000000), wk = 0.0029586 k( 84) = ( 0.4537037 0.4537037 -0.0000000), wk = 0.0029586 k( 85) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0029586 k( 86) = ( 0.4351852 0.4351852 -0.0000000), wk = 0.0029586 k( 87) = ( 0.4259259 0.4259259 -0.0000000), wk = 0.0029586 k( 88) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0029586 k( 89) = ( 0.4074074 0.4074074 -0.0000000), wk = 0.0029586 k( 90) = ( 0.3981481 0.3981481 -0.0000000), wk = 0.0029586 k( 91) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0029586 k( 92) = ( 0.3796296 0.3796296 -0.0000000), wk = 0.0029586 k( 93) = ( 0.3703704 0.3703704 -0.0000000), wk = 0.0029586 k( 94) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0029586 k( 95) = ( 0.3518519 0.3518518 -0.0000000), wk = 0.0029586 k( 96) = ( 0.3425926 0.3425926 -0.0000000), wk = 0.0029586 k( 97) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029586 k( 98) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0029586 k( 99) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0029586 k( 100) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0029586 k( 101) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0029586 k( 102) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0029586 k( 103) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0029586 k( 104) = ( 0.2685185 0.2685185 -0.0000000), wk = 0.0029586 k( 105) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0029586 k( 106) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0029586 k( 107) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0029586 k( 108) = ( 0.2314815 0.2314815 -0.0000000), wk = 0.0029586 k( 109) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0029586 k( 110) = ( 0.2129630 0.2129630 -0.0000000), wk = 0.0029586 k( 111) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0029586 k( 112) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0029586 k( 113) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0029586 k( 114) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0029586 k( 115) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0029586 k( 116) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0029586 k( 117) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0029586 k( 118) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0029586 k( 119) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0029586 k( 120) = ( 0.1203704 0.1203704 -0.0000000), wk = 0.0029586 k( 121) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0029586 k( 122) = ( 0.1018518 0.1018518 -0.0000000), wk = 0.0029586 k( 123) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0029586 k( 124) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0029586 k( 125) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0029586 k( 126) = ( 0.0648148 0.0648148 -0.0000000), wk = 0.0029586 k( 127) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0029586 k( 128) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0029586 k( 129) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0029586 k( 130) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0029586 k( 131) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0029586 k( 132) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0029586 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 135) = ( 0.0000000 0.0000000 0.0126629), wk = 0.0029586 k( 136) = ( 0.0000000 0.0000000 0.0253258), wk = 0.0029586 k( 137) = ( 0.0000000 0.0000000 0.0379886), wk = 0.0029586 k( 138) = ( 0.0000000 0.0000000 0.0506515), wk = 0.0029586 k( 139) = ( 0.0000000 0.0000000 0.0633144), wk = 0.0029586 k( 140) = ( 0.0000000 0.0000000 0.0759773), wk = 0.0029586 k( 141) = ( 0.0000000 0.0000000 0.0886402), wk = 0.0029586 k( 142) = ( 0.0000000 0.0000000 0.1013030), wk = 0.0029586 k( 143) = ( 0.0000000 0.0000000 0.1139659), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.1266288), wk = 0.0029586 k( 145) = ( 0.0000000 0.0000000 0.1392917), wk = 0.0029586 k( 146) = ( 0.0000000 0.0000000 0.1519546), wk = 0.0029586 k( 147) = ( 0.0000000 0.0000000 0.1646174), wk = 0.0029586 k( 148) = ( 0.0000000 0.0000000 0.1772803), wk = 0.0029586 k( 149) = ( 0.0000000 0.0000000 0.1899432), wk = 0.0029586 k( 150) = ( 0.0000000 0.0000000 0.2026061), wk = 0.0029586 k( 151) = ( 0.0000000 0.0000000 0.2152689), wk = 0.0029586 k( 152) = ( 0.0000000 0.0000000 0.2279318), wk = 0.0029586 k( 153) = ( 0.0000000 0.0000000 0.2405947), wk = 0.0029586 k( 154) = ( 0.0000000 0.0000000 0.2532576), wk = 0.0029586 k( 155) = ( 0.0000000 0.0000000 0.2659205), wk = 0.0029586 k( 156) = ( 0.0000000 0.0000000 0.2785833), wk = 0.0029586 k( 157) = ( 0.0000000 0.0000000 0.2912462), wk = 0.0029586 k( 158) = ( 0.0000000 0.0000000 0.2912462), wk = 0.0029586 k( 159) = ( 0.0000000 0.0131579 0.2912462), wk = 0.0029586 k( 160) = ( 0.0000000 0.0263158 0.2912462), wk = 0.0029586 k( 161) = ( 0.0000000 0.0394737 0.2912462), wk = 0.0029586 k( 162) = ( 0.0000000 0.0526316 0.2912462), wk = 0.0029586 k( 163) = ( 0.0000000 0.0657895 0.2912462), wk = 0.0029586 k( 164) = ( 0.0000000 0.0789474 0.2912462), wk = 0.0029586 k( 165) = ( 0.0000000 0.0921053 0.2912462), wk = 0.0029586 k( 166) = ( 0.0000000 0.1052632 0.2912462), wk = 0.0029586 k( 167) = ( 0.0000000 0.1184210 0.2912462), wk = 0.0029586 k( 168) = ( 0.0000000 0.1315790 0.2912462), wk = 0.0029586 k( 169) = ( 0.0000000 0.1447368 0.2912462), wk = 0.0029586 k( 170) = ( 0.0000000 0.1578947 0.2912462), wk = 0.0029586 k( 171) = ( 0.0000000 0.1710526 0.2912462), wk = 0.0029586 k( 172) = ( 0.0000000 0.1842105 0.2912462), wk = 0.0029586 k( 173) = ( 0.0000000 0.1973684 0.2912462), wk = 0.0029586 k( 174) = ( 0.0000000 0.2105263 0.2912462), wk = 0.0029586 k( 175) = ( 0.0000000 0.2236842 0.2912462), wk = 0.0029586 k( 176) = ( 0.0000000 0.2368421 0.2912462), wk = 0.0029586 k( 177) = ( 0.0000000 0.2500000 0.2912462), wk = 0.0029586 k( 178) = ( 0.0000000 0.2631579 0.2912462), wk = 0.0029586 k( 179) = ( 0.0000000 0.2763158 0.2912462), wk = 0.0029586 k( 180) = ( 0.0000000 0.2894737 0.2912462), wk = 0.0029586 k( 181) = ( 0.0000000 0.3026316 0.2912462), wk = 0.0029586 k( 182) = ( 0.0000000 0.3157895 0.2912462), wk = 0.0029586 k( 183) = ( 0.0000000 0.3289474 0.2912462), wk = 0.0029586 k( 184) = ( 0.0000000 0.3421053 0.2912462), wk = 0.0029586 k( 185) = ( 0.0000000 0.3552632 0.2912462), wk = 0.0029586 k( 186) = ( 0.0000000 0.3684211 0.2912462), wk = 0.0029586 k( 187) = ( 0.0000000 0.3815789 0.2912462), wk = 0.0029586 k( 188) = ( 0.0000000 0.3947368 0.2912462), wk = 0.0029586 k( 189) = ( 0.0000000 0.4078947 0.2912462), wk = 0.0029586 k( 190) = ( 0.0000000 0.4210526 0.2912462), wk = 0.0029586 k( 191) = ( 0.0000000 0.4342105 0.2912462), wk = 0.0029586 k( 192) = ( 0.0000000 0.4473684 0.2912462), wk = 0.0029586 k( 193) = ( 0.0000000 0.4605263 0.2912462), wk = 0.0029586 k( 194) = ( 0.0000000 0.4736842 0.2912462), wk = 0.0029586 k( 195) = ( 0.0000000 0.4868421 0.2912462), wk = 0.0029586 k( 196) = ( 0.0000000 0.5000000 0.2912462), wk = 0.0029586 k( 197) = ( 0.0000000 0.5000000 0.2912462), wk = 0.0029586 k( 198) = ( 0.0131579 0.5000000 0.2912462), wk = 0.0029586 k( 199) = ( 0.0263158 0.5000000 0.2912462), wk = 0.0029586 k( 200) = ( 0.0394737 0.5000000 0.2912462), wk = 0.0029586 k( 201) = ( 0.0526316 0.5000000 0.2912462), wk = 0.0029586 k( 202) = ( 0.0657895 0.5000000 0.2912462), wk = 0.0029586 k( 203) = ( 0.0789474 0.5000000 0.2912462), wk = 0.0029586 k( 204) = ( 0.0921053 0.5000000 0.2912462), wk = 0.0029586 k( 205) = ( 0.1052632 0.5000000 0.2912462), wk = 0.0029586 k( 206) = ( 0.1184210 0.5000000 0.2912462), wk = 0.0029586 k( 207) = ( 0.1315790 0.5000000 0.2912462), wk = 0.0029586 k( 208) = ( 0.1447368 0.5000000 0.2912462), wk = 0.0029586 k( 209) = ( 0.1578947 0.5000000 0.2912462), wk = 0.0029586 k( 210) = ( 0.1710526 0.5000000 0.2912462), wk = 0.0029586 k( 211) = ( 0.1842105 0.5000000 0.2912462), wk = 0.0029586 k( 212) = ( 0.1973684 0.5000000 0.2912462), wk = 0.0029586 k( 213) = ( 0.2105263 0.5000000 0.2912462), wk = 0.0029586 k( 214) = ( 0.2236842 0.5000000 0.2912462), wk = 0.0029586 k( 215) = ( 0.2368421 0.5000000 0.2912462), wk = 0.0029586 k( 216) = ( 0.2500000 0.5000000 0.2912462), wk = 0.0029586 k( 217) = ( 0.2631579 0.5000000 0.2912462), wk = 0.0029586 k( 218) = ( 0.2763158 0.5000000 0.2912462), wk = 0.0029586 k( 219) = ( 0.2894737 0.5000000 0.2912462), wk = 0.0029586 k( 220) = ( 0.3026316 0.5000000 0.2912462), wk = 0.0029586 k( 221) = ( 0.3157895 0.5000000 0.2912462), wk = 0.0029586 k( 222) = ( 0.3289474 0.5000000 0.2912462), wk = 0.0029586 k( 223) = ( 0.3421053 0.5000000 0.2912462), wk = 0.0029586 k( 224) = ( 0.3552632 0.5000000 0.2912462), wk = 0.0029586 k( 225) = ( 0.3684211 0.5000000 0.2912462), wk = 0.0029586 k( 226) = ( 0.3815789 0.5000000 0.2912462), wk = 0.0029586 k( 227) = ( 0.3947368 0.5000000 0.2912462), wk = 0.0029586 k( 228) = ( 0.4078947 0.5000000 0.2912462), wk = 0.0029586 k( 229) = ( 0.4210526 0.5000000 0.2912462), wk = 0.0029586 k( 230) = ( 0.4342105 0.5000000 0.2912462), wk = 0.0029586 k( 231) = ( 0.4473684 0.5000000 0.2912462), wk = 0.0029586 k( 232) = ( 0.4605263 0.5000000 0.2912462), wk = 0.0029586 k( 233) = ( 0.4736842 0.5000000 0.2912462), wk = 0.0029586 k( 234) = ( 0.4868421 0.5000000 0.2912462), wk = 0.0029586 k( 235) = ( 0.5000000 0.5000000 0.2912462), wk = 0.0029586 k( 236) = ( 0.5000000 0.5000000 0.2912462), wk = 0.0029586 k( 237) = ( 0.4907407 0.4907407 0.2912462), wk = 0.0029586 k( 238) = ( 0.4814815 0.4814815 0.2912462), wk = 0.0029586 k( 239) = ( 0.4722222 0.4722222 0.2912462), wk = 0.0029586 k( 240) = ( 0.4629630 0.4629630 0.2912462), wk = 0.0029586 k( 241) = ( 0.4537037 0.4537037 0.2912462), wk = 0.0029586 k( 242) = ( 0.4444444 0.4444444 0.2912462), wk = 0.0029586 k( 243) = ( 0.4351852 0.4351852 0.2912462), wk = 0.0029586 k( 244) = ( 0.4259259 0.4259259 0.2912462), wk = 0.0029586 k( 245) = ( 0.4166667 0.4166667 0.2912462), wk = 0.0029586 k( 246) = ( 0.4074074 0.4074074 0.2912462), wk = 0.0029586 k( 247) = ( 0.3981481 0.3981481 0.2912462), wk = 0.0029586 k( 248) = ( 0.3888889 0.3888889 0.2912462), wk = 0.0029586 k( 249) = ( 0.3796296 0.3796296 0.2912462), wk = 0.0029586 k( 250) = ( 0.3703704 0.3703704 0.2912462), wk = 0.0029586 k( 251) = ( 0.3611111 0.3611111 0.2912462), wk = 0.0029586 k( 252) = ( 0.3518519 0.3518518 0.2912462), wk = 0.0029586 k( 253) = ( 0.3425926 0.3425926 0.2912462), wk = 0.0029586 k( 254) = ( 0.3333333 0.3333333 0.2912462), wk = 0.0029586 k( 255) = ( 0.3240741 0.3240741 0.2912462), wk = 0.0029586 k( 256) = ( 0.3148148 0.3148148 0.2912462), wk = 0.0029586 k( 257) = ( 0.3055556 0.3055556 0.2912462), wk = 0.0029586 k( 258) = ( 0.2962963 0.2962963 0.2912462), wk = 0.0029586 k( 259) = ( 0.2870370 0.2870370 0.2912462), wk = 0.0029586 k( 260) = ( 0.2777778 0.2777778 0.2912462), wk = 0.0029586 k( 261) = ( 0.2685185 0.2685185 0.2912462), wk = 0.0029586 k( 262) = ( 0.2592593 0.2592593 0.2912462), wk = 0.0029586 k( 263) = ( 0.2500000 0.2500000 0.2912462), wk = 0.0029586 k( 264) = ( 0.2407407 0.2407407 0.2912462), wk = 0.0029586 k( 265) = ( 0.2314815 0.2314815 0.2912462), wk = 0.0029586 k( 266) = ( 0.2222222 0.2222222 0.2912462), wk = 0.0029586 k( 267) = ( 0.2129630 0.2129630 0.2912462), wk = 0.0029586 k( 268) = ( 0.2037037 0.2037037 0.2912462), wk = 0.0029586 k( 269) = ( 0.1944444 0.1944444 0.2912462), wk = 0.0029586 k( 270) = ( 0.1851852 0.1851852 0.2912462), wk = 0.0029586 k( 271) = ( 0.1759259 0.1759259 0.2912462), wk = 0.0029586 k( 272) = ( 0.1666667 0.1666667 0.2912462), wk = 0.0029586 k( 273) = ( 0.1574074 0.1574074 0.2912462), wk = 0.0029586 k( 274) = ( 0.1481482 0.1481481 0.2912462), wk = 0.0029586 k( 275) = ( 0.1388889 0.1388889 0.2912462), wk = 0.0029586 k( 276) = ( 0.1296296 0.1296296 0.2912462), wk = 0.0029586 k( 277) = ( 0.1203704 0.1203704 0.2912462), wk = 0.0029586 k( 278) = ( 0.1111111 0.1111111 0.2912462), wk = 0.0029586 k( 279) = ( 0.1018518 0.1018518 0.2912462), wk = 0.0029586 k( 280) = ( 0.0925926 0.0925926 0.2912462), wk = 0.0029586 k( 281) = ( 0.0833333 0.0833333 0.2912462), wk = 0.0029586 k( 282) = ( 0.0740741 0.0740741 0.2912462), wk = 0.0029586 k( 283) = ( 0.0648148 0.0648148 0.2912462), wk = 0.0029586 k( 284) = ( 0.0555556 0.0555556 0.2912462), wk = 0.0029586 k( 285) = ( 0.0462963 0.0462963 0.2912462), wk = 0.0029586 k( 286) = ( 0.0370370 0.0370370 0.2912462), wk = 0.0029586 k( 287) = ( 0.0277778 0.0277778 0.2912462), wk = 0.0029586 k( 288) = ( 0.0185185 0.0185185 0.2912462), wk = 0.0029586 k( 289) = ( 0.0092593 0.0092593 0.2912462), wk = 0.0029586 k( 290) = ( 0.0000000 0.0000000 0.2912462), wk = 0.0029586 k( 291) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 292) = ( 0.0000000 0.5000000 0.0126629), wk = 0.0029586 k( 293) = ( 0.0000000 0.5000000 0.0253258), wk = 0.0029586 k( 294) = ( 0.0000000 0.5000000 0.0379886), wk = 0.0029586 k( 295) = ( 0.0000000 0.5000000 0.0506515), wk = 0.0029586 k( 296) = ( 0.0000000 0.5000000 0.0633144), wk = 0.0029586 k( 297) = ( 0.0000000 0.5000000 0.0759773), wk = 0.0029586 k( 298) = ( 0.0000000 0.5000000 0.0886402), wk = 0.0029586 k( 299) = ( 0.0000000 0.5000000 0.1013030), wk = 0.0029586 k( 300) = ( 0.0000000 0.5000000 0.1139659), wk = 0.0029586 k( 301) = ( 0.0000000 0.5000000 0.1266288), wk = 0.0029586 k( 302) = ( 0.0000000 0.5000000 0.1392917), wk = 0.0029586 k( 303) = ( 0.0000000 0.5000000 0.1519546), wk = 0.0029586 k( 304) = ( 0.0000000 0.5000000 0.1646174), wk = 0.0029586 k( 305) = ( 0.0000000 0.5000000 0.1772803), wk = 0.0029586 k( 306) = ( 0.0000000 0.5000000 0.1899432), wk = 0.0029586 k( 307) = ( 0.0000000 0.5000000 0.2026061), wk = 0.0029586 k( 308) = ( 0.0000000 0.5000000 0.2152689), wk = 0.0029586 k( 309) = ( 0.0000000 0.5000000 0.2279318), wk = 0.0029586 k( 310) = ( 0.0000000 0.5000000 0.2405947), wk = 0.0029586 k( 311) = ( 0.0000000 0.5000000 0.2532576), wk = 0.0029586 k( 312) = ( 0.0000000 0.5000000 0.2659205), wk = 0.0029586 k( 313) = ( 0.0000000 0.5000000 0.2785833), wk = 0.0029586 k( 314) = ( 0.0000000 0.5000000 0.2912462), wk = 0.0029586 k( 315) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029586 k( 316) = ( 0.5000000 0.5000000 0.0126629), wk = 0.0029586 k( 317) = ( 0.5000000 0.5000000 0.0253258), wk = 0.0029586 k( 318) = ( 0.5000000 0.5000000 0.0379886), wk = 0.0029586 k( 319) = ( 0.5000000 0.5000000 0.0506515), wk = 0.0029586 k( 320) = ( 0.5000000 0.5000000 0.0633144), wk = 0.0029586 k( 321) = ( 0.5000000 0.5000000 0.0759773), wk = 0.0029586 k( 322) = ( 0.5000000 0.5000000 0.0886402), wk = 0.0029586 k( 323) = ( 0.5000000 0.5000000 0.1013030), wk = 0.0029586 k( 324) = ( 0.5000000 0.5000000 0.1139659), wk = 0.0029586 k( 325) = ( 0.5000000 0.5000000 0.1266288), wk = 0.0029586 k( 326) = ( 0.5000000 0.5000000 0.1392917), wk = 0.0029586 k( 327) = ( 0.5000000 0.5000000 0.1519546), wk = 0.0029586 k( 328) = ( 0.5000000 0.5000000 0.1646174), wk = 0.0029586 k( 329) = ( 0.5000000 0.5000000 0.1772803), wk = 0.0029586 k( 330) = ( 0.5000000 0.5000000 0.1899432), wk = 0.0029586 k( 331) = ( 0.5000000 0.5000000 0.2026061), wk = 0.0029586 k( 332) = ( 0.5000000 0.5000000 0.2152689), wk = 0.0029586 k( 333) = ( 0.5000000 0.5000000 0.2279318), wk = 0.0029586 k( 334) = ( 0.5000000 0.5000000 0.2405947), wk = 0.0029586 k( 335) = ( 0.5000000 0.5000000 0.2532576), wk = 0.0029586 k( 336) = ( 0.5000000 0.5000000 0.2659205), wk = 0.0029586 k( 337) = ( 0.5000000 0.5000000 0.2785833), wk = 0.0029586 k( 338) = ( 0.5000000 0.5000000 0.2912462), wk = 0.0029586 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0029586 k( 3) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0029586 k( 4) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0029586 k( 5) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0029586 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0029586 k( 7) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0029586 k( 8) = ( 0.0000000 0.0921053 0.0000000), wk = 0.0029586 k( 9) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0029586 k( 10) = ( 0.0000000 0.1184210 0.0000000), wk = 0.0029586 k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0029586 k( 12) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0029586 k( 13) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0029586 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0029586 k( 15) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0029586 k( 16) = ( 0.0000000 0.1973684 0.0000000), wk = 0.0029586 k( 17) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0029586 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0029586 k( 19) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0029586 k( 20) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0029586 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0029586 k( 22) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0029586 k( 23) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0029586 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0029586 k( 25) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0029586 k( 26) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0029586 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0029586 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0029586 k( 29) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0029586 k( 30) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0029586 k( 31) = ( 0.0000000 0.3947368 0.0000000), wk = 0.0029586 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0029586 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0029586 k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0029586 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0029586 k( 36) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0029586 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0029586 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0029586 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029586 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029586 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0029586 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0029586 k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0029586 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0029586 k( 45) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0029586 k( 46) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0029586 k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0029586 k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0029586 k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0029586 k( 50) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0029586 k( 51) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0029586 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0029586 k( 53) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0029586 k( 54) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0029586 k( 55) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0029586 k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0029586 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0029586 k( 58) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0029586 k( 59) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0029586 k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0029586 k( 61) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0029586 k( 62) = ( 0.2894737 0.5000000 0.0000000), wk = 0.0029586 k( 63) = ( 0.3026316 0.5000000 0.0000000), wk = 0.0029586 k( 64) = ( 0.3157895 0.5000000 0.0000000), wk = 0.0029586 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0029586 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0029586 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0029586 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0029586 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0029586 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0029586 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0029586 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0029586 k( 73) = ( 0.4342105 0.5000000 0.0000000), wk = 0.0029586 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0029586 k( 75) = ( 0.4605263 0.5000000 0.0000000), wk = 0.0029586 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0029586 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0029586 k( 78) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 80) = ( 0.4907407 0.4907407 0.0000000), wk = 0.0029586 k( 81) = ( 0.4814815 0.4814815 0.0000000), wk = 0.0029586 k( 82) = ( 0.4722222 0.4722222 0.0000000), wk = 0.0029586 k( 83) = ( 0.4629630 0.4629630 0.0000000), wk = 0.0029586 k( 84) = ( 0.4537037 0.4537037 0.0000000), wk = 0.0029586 k( 85) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0029586 k( 86) = ( 0.4351852 0.4351852 -0.0000000), wk = 0.0029586 k( 87) = ( 0.4259259 0.4259259 0.0000000), wk = 0.0029586 k( 88) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0029586 k( 89) = ( 0.4074074 0.4074074 0.0000000), wk = 0.0029586 k( 90) = ( 0.3981481 0.3981481 0.0000000), wk = 0.0029586 k( 91) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0029586 k( 92) = ( 0.3796296 0.3796296 -0.0000000), wk = 0.0029586 k( 93) = ( 0.3703704 0.3703704 -0.0000000), wk = 0.0029586 k( 94) = ( 0.3611111 0.3611111 0.0000000), wk = 0.0029586 k( 95) = ( 0.3518519 0.3518519 -0.0000000), wk = 0.0029586 k( 96) = ( 0.3425926 0.3425926 -0.0000000), wk = 0.0029586 k( 97) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029586 k( 98) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0029586 k( 99) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0029586 k( 100) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0029586 k( 101) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0029586 k( 102) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0029586 k( 103) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0029586 k( 104) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0029586 k( 105) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0029586 k( 106) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0029586 k( 107) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0029586 k( 108) = ( 0.2314815 0.2314815 0.0000000), wk = 0.0029586 k( 109) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0029586 k( 110) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0029586 k( 111) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0029586 k( 112) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0029586 k( 113) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0029586 k( 114) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0029586 k( 115) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0029586 k( 116) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0029586 k( 117) = ( 0.1481482 0.1481482 -0.0000000), wk = 0.0029586 k( 118) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0029586 k( 119) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0029586 k( 120) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0029586 k( 121) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0029586 k( 122) = ( 0.1018518 0.1018518 0.0000000), wk = 0.0029586 k( 123) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0029586 k( 124) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0029586 k( 125) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0029586 k( 126) = ( 0.0648148 0.0648148 0.0000000), wk = 0.0029586 k( 127) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0029586 k( 128) = ( 0.0462963 0.0462963 0.0000000), wk = 0.0029586 k( 129) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0029586 k( 130) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0029586 k( 131) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0029586 k( 132) = ( 0.0092593 0.0092593 0.0000000), wk = 0.0029586 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 135) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0029586 k( 136) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0029586 k( 137) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0029586 k( 138) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0029586 k( 139) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0029586 k( 140) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0029586 k( 141) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0029586 k( 142) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0029586 k( 143) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0029586 k( 145) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0029586 k( 146) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0029586 k( 147) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0029586 k( 148) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0029586 k( 149) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0029586 k( 150) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0029586 k( 151) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0029586 k( 152) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0029586 k( 153) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0029586 k( 154) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0029586 k( 155) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0029586 k( 156) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0029586 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 159) = ( 0.0000000 0.0131579 0.5000000), wk = 0.0029586 k( 160) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0029586 k( 161) = ( 0.0000000 0.0394737 0.5000000), wk = 0.0029586 k( 162) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0029586 k( 163) = ( 0.0000000 0.0657895 0.5000000), wk = 0.0029586 k( 164) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0029586 k( 165) = ( 0.0000000 0.0921053 0.5000000), wk = 0.0029586 k( 166) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0029586 k( 167) = ( 0.0000000 0.1184210 0.5000000), wk = 0.0029586 k( 168) = ( 0.0000000 0.1315790 0.5000000), wk = 0.0029586 k( 169) = ( 0.0000000 0.1447368 0.5000000), wk = 0.0029586 k( 170) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0029586 k( 171) = ( 0.0000000 0.1710526 0.5000000), wk = 0.0029586 k( 172) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0029586 k( 173) = ( 0.0000000 0.1973684 0.5000000), wk = 0.0029586 k( 174) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0029586 k( 175) = ( 0.0000000 0.2236842 0.5000000), wk = 0.0029586 k( 176) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0029586 k( 177) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0029586 k( 178) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0029586 k( 179) = ( 0.0000000 0.2763158 0.5000000), wk = 0.0029586 k( 180) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0029586 k( 181) = ( 0.0000000 0.3026316 0.5000000), wk = 0.0029586 k( 182) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0029586 k( 183) = ( 0.0000000 0.3289474 0.5000000), wk = 0.0029586 k( 184) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0029586 k( 185) = ( 0.0000000 0.3552632 0.5000000), wk = 0.0029586 k( 186) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0029586 k( 187) = ( 0.0000000 0.3815789 0.5000000), wk = 0.0029586 k( 188) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0029586 k( 189) = ( 0.0000000 0.4078947 0.5000000), wk = 0.0029586 k( 190) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0029586 k( 191) = ( 0.0000000 0.4342105 0.5000000), wk = 0.0029586 k( 192) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0029586 k( 193) = ( 0.0000000 0.4605263 0.5000000), wk = 0.0029586 k( 194) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0029586 k( 195) = ( 0.0000000 0.4868421 0.5000000), wk = 0.0029586 k( 196) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029586 k( 197) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029586 k( 198) = ( 0.0131579 0.5000000 0.5000000), wk = 0.0029586 k( 199) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0029586 k( 200) = ( 0.0394737 0.5000000 0.5000000), wk = 0.0029586 k( 201) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0029586 k( 202) = ( 0.0657895 0.5000000 0.5000000), wk = 0.0029586 k( 203) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0029586 k( 204) = ( 0.0921053 0.5000000 0.5000000), wk = 0.0029586 k( 205) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0029586 k( 206) = ( 0.1184210 0.5000000 0.5000000), wk = 0.0029586 k( 207) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0029586 k( 208) = ( 0.1447368 0.5000000 0.5000000), wk = 0.0029586 k( 209) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0029586 k( 210) = ( 0.1710526 0.5000000 0.5000000), wk = 0.0029586 k( 211) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0029586 k( 212) = ( 0.1973684 0.5000000 0.5000000), wk = 0.0029586 k( 213) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0029586 k( 214) = ( 0.2236842 0.5000000 0.5000000), wk = 0.0029586 k( 215) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0029586 k( 216) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0029586 k( 217) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0029586 k( 218) = ( 0.2763158 0.5000000 0.5000000), wk = 0.0029586 k( 219) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0029586 k( 220) = ( 0.3026316 0.5000000 0.5000000), wk = 0.0029586 k( 221) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0029586 k( 222) = ( 0.3289474 0.5000000 0.5000000), wk = 0.0029586 k( 223) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0029586 k( 224) = ( 0.3552632 0.5000000 0.5000000), wk = 0.0029586 k( 225) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0029586 k( 226) = ( 0.3815789 0.5000000 0.5000000), wk = 0.0029586 k( 227) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0029586 k( 228) = ( 0.4078947 0.5000000 0.5000000), wk = 0.0029586 k( 229) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0029586 k( 230) = ( 0.4342105 0.5000000 0.5000000), wk = 0.0029586 k( 231) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0029586 k( 232) = ( 0.4605263 0.5000000 0.5000000), wk = 0.0029586 k( 233) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0029586 k( 234) = ( 0.4868421 0.5000000 0.5000000), wk = 0.0029586 k( 235) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 236) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 237) = ( 0.4907407 0.4907407 0.5000000), wk = 0.0029586 k( 238) = ( 0.4814815 0.4814815 0.5000000), wk = 0.0029586 k( 239) = ( 0.4722222 0.4722222 0.5000000), wk = 0.0029586 k( 240) = ( 0.4629630 0.4629630 0.5000000), wk = 0.0029586 k( 241) = ( 0.4537037 0.4537037 0.5000000), wk = 0.0029586 k( 242) = ( 0.4444444 0.4444444 0.5000000), wk = 0.0029586 k( 243) = ( 0.4351852 0.4351852 0.5000000), wk = 0.0029586 k( 244) = ( 0.4259259 0.4259259 0.5000000), wk = 0.0029586 k( 245) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0029586 k( 246) = ( 0.4074074 0.4074074 0.5000000), wk = 0.0029586 k( 247) = ( 0.3981481 0.3981481 0.5000000), wk = 0.0029586 k( 248) = ( 0.3888889 0.3888889 0.5000000), wk = 0.0029586 k( 249) = ( 0.3796296 0.3796296 0.5000000), wk = 0.0029586 k( 250) = ( 0.3703704 0.3703704 0.5000000), wk = 0.0029586 k( 251) = ( 0.3611111 0.3611111 0.5000000), wk = 0.0029586 k( 252) = ( 0.3518519 0.3518519 0.5000000), wk = 0.0029586 k( 253) = ( 0.3425926 0.3425926 0.5000000), wk = 0.0029586 k( 254) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029586 k( 255) = ( 0.3240741 0.3240741 0.5000000), wk = 0.0029586 k( 256) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0029586 k( 257) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0029586 k( 258) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0029586 k( 259) = ( 0.2870370 0.2870370 0.5000000), wk = 0.0029586 k( 260) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0029586 k( 261) = ( 0.2685185 0.2685185 0.5000000), wk = 0.0029586 k( 262) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0029586 k( 263) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029586 k( 264) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0029586 k( 265) = ( 0.2314815 0.2314815 0.5000000), wk = 0.0029586 k( 266) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0029586 k( 267) = ( 0.2129630 0.2129630 0.5000000), wk = 0.0029586 k( 268) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0029586 k( 269) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0029586 k( 270) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0029586 k( 271) = ( 0.1759259 0.1759259 0.5000000), wk = 0.0029586 k( 272) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0029586 k( 273) = ( 0.1574074 0.1574074 0.5000000), wk = 0.0029586 k( 274) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0029586 k( 275) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0029586 k( 276) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0029586 k( 277) = ( 0.1203704 0.1203704 0.5000000), wk = 0.0029586 k( 278) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0029586 k( 279) = ( 0.1018518 0.1018518 0.5000000), wk = 0.0029586 k( 280) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0029586 k( 281) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0029586 k( 282) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0029586 k( 283) = ( 0.0648148 0.0648148 0.5000000), wk = 0.0029586 k( 284) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0029586 k( 285) = ( 0.0462963 0.0462963 0.5000000), wk = 0.0029586 k( 286) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0029586 k( 287) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0029586 k( 288) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0029586 k( 289) = ( 0.0092593 0.0092593 0.5000000), wk = 0.0029586 k( 290) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 291) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029586 k( 292) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0029586 k( 293) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0029586 k( 294) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0029586 k( 295) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0029586 k( 296) = ( 0.0000000 0.5000000 0.1086957), wk = 0.0029586 k( 297) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0029586 k( 298) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0029586 k( 299) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0029586 k( 300) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0029586 k( 301) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0029586 k( 302) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0029586 k( 303) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0029586 k( 304) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0029586 k( 305) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0029586 k( 306) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0029586 k( 307) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0029586 k( 308) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0029586 k( 309) = ( 0.0000000 0.5000000 0.3913044), wk = 0.0029586 k( 310) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0029586 k( 311) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0029586 k( 312) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0029586 k( 313) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0029586 k( 314) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029586 k( 315) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 316) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0029586 k( 317) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0029586 k( 318) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0029586 k( 319) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0029586 k( 320) = ( 0.5000000 0.5000000 0.1086957), wk = 0.0029586 k( 321) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0029586 k( 322) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0029586 k( 323) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0029586 k( 324) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0029586 k( 325) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0029586 k( 326) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0029586 k( 327) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0029586 k( 328) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0029586 k( 329) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0029586 k( 330) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0029586 k( 331) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0029586 k( 332) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0029586 k( 333) = ( 0.5000000 0.5000000 0.3913044), wk = 0.0029586 k( 334) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0029586 k( 335) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0029586 k( 336) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0029586 k( 337) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0029586 k( 338) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 Dense grid: 116095 G-vectors FFT dimensions: ( 54, 54, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.49 Mb ( 804, 40) NL pseudopotentials 0.86 Mb ( 402, 140) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.02 Mb ( 3226) G-vector shells 0.01 Mb ( 1475) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.96 Mb ( 804, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.17 Mb ( 140, 2, 40) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Li2B2C.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.3 secs Computing kpt #: 9 total cpu time spent up to now is 8.1 secs Computing kpt #: 10 total cpu time spent up to now is 8.9 secs Computing kpt #: 11 total cpu time spent up to now is 9.6 secs Computing kpt #: 12 total cpu time spent up to now is 10.4 secs Computing kpt #: 13 total cpu time spent up to now is 11.1 secs Computing kpt #: 14 total cpu time spent up to now is 11.9 secs Computing kpt #: 15 total cpu time spent up to now is 12.7 secs Computing kpt #: 16 total cpu time spent up to now is 13.5 secs Computing kpt #: 17 total cpu time spent up to now is 14.2 secs Computing kpt #: 18 total cpu time spent up to now is 14.9 secs Computing kpt #: 19 total cpu time spent up to now is 15.7 secs Computing kpt #: 20 total cpu time spent up to now is 16.4 secs Computing kpt #: 21 total cpu time spent up to now is 17.1 secs Computing kpt #: 22 total cpu time spent up to now is 17.9 secs Computing kpt #: 23 total cpu time spent up to now is 18.7 secs Computing kpt #: 24 total cpu time spent up to now is 19.5 secs Computing kpt #: 25 total cpu time spent up to now is 20.2 secs Computing kpt #: 26 total cpu time spent up to now is 21.0 secs Computing kpt #: 27 total cpu time spent up to now is 21.8 secs Computing kpt #: 28 total cpu time spent up to now is 22.5 secs Computing kpt #: 29 total cpu time spent up to now is 23.3 secs Computing kpt #: 30 total cpu time spent up to now is 24.1 secs Computing kpt #: 31 total cpu time spent up to now is 24.9 secs Computing kpt #: 32 total cpu time spent up to now is 25.7 secs Computing kpt #: 33 total cpu time spent up to now is 26.5 secs Computing kpt #: 34 total cpu time spent up to now is 27.3 secs Computing kpt #: 35 total cpu time spent up to now is 28.2 secs Computing kpt #: 36 total cpu time spent up to now is 29.0 secs Computing kpt #: 37 total cpu time spent up to now is 29.8 secs Computing kpt #: 38 total cpu time spent up to now is 30.7 secs Computing kpt #: 39 total cpu time spent up to now is 31.7 secs Computing kpt #: 40 total cpu time spent up to now is 32.6 secs Computing kpt #: 41 total cpu time spent up to now is 33.5 secs Computing kpt #: 42 total cpu time spent up to now is 34.5 secs Computing kpt #: 43 total cpu time spent up to now is 35.5 secs Computing kpt #: 44 total cpu time spent up to now is 36.5 secs Computing kpt #: 45 total cpu time spent up to now is 37.5 secs Computing kpt #: 46 total cpu time spent up to now is 38.4 secs Computing kpt #: 47 total cpu time spent up to now is 39.4 secs Computing kpt #: 48 total cpu time spent up to now is 40.4 secs Computing kpt #: 49 total cpu time spent up to now is 41.3 secs Computing kpt #: 50 total cpu time spent up to now is 42.3 secs Computing kpt #: 51 total cpu time spent up to now is 43.2 secs Computing kpt #: 52 total cpu time spent up to now is 44.0 secs Computing kpt #: 53 total cpu time spent up to now is 44.8 secs Computing kpt #: 54 total cpu time spent up to now is 45.6 secs Computing kpt #: 55 total cpu time spent up to now is 46.5 secs Computing kpt #: 56 total cpu time spent up to now is 47.3 secs Computing kpt #: 57 total cpu time spent up to now is 48.1 secs Computing kpt #: 58 total cpu time spent up to now is 49.0 secs Computing kpt #: 59 total cpu time spent up to now is 49.8 secs Computing kpt #: 60 total cpu time spent up to now is 50.6 secs Computing kpt #: 61 total cpu time spent up to now is 51.4 secs Computing kpt #: 62 total cpu time spent up to now is 52.2 secs Computing kpt #: 63 total cpu time spent up to now is 53.0 secs Computing kpt #: 64 total cpu time spent up to now is 53.8 secs Computing kpt #: 65 total cpu time spent up to now is 54.8 secs Computing kpt #: 66 total cpu time spent up to now is 55.8 secs Computing kpt #: 67 total cpu time spent up to now is 56.8 secs Computing kpt #: 68 total cpu time spent up to now is 57.7 secs Computing kpt #: 69 total cpu time spent up to now is 58.7 secs Computing kpt #: 70 total cpu time spent up to now is 59.6 secs Computing kpt #: 71 total cpu time spent up to now is 60.4 secs Computing kpt #: 72 total cpu time spent up to now is 61.3 secs Computing kpt #: 73 total cpu time spent up to now is 62.0 secs Computing kpt #: 74 total cpu time spent up to now is 62.8 secs Computing kpt #: 75 total cpu time spent up to now is 63.7 secs Computing kpt #: 76 total cpu time spent up to now is 64.4 secs Computing kpt #: 77 total cpu time spent up to now is 65.2 secs Computing kpt #: 78 total cpu time spent up to now is 66.1 secs Computing kpt #: 79 total cpu time spent up to now is 66.8 secs Computing kpt #: 80 total cpu time spent up to now is 67.6 secs Computing kpt #: 81 total cpu time spent up to now is 68.5 secs Computing kpt #: 82 total cpu time spent up to now is 69.3 secs Computing kpt #: 83 total cpu time spent up to now is 70.2 secs Computing kpt #: 84 total cpu time spent up to now is 71.0 secs Computing kpt #: 85 total cpu time spent up to now is 71.8 secs Computing kpt #: 86 total cpu time spent up to now is 72.6 secs Computing kpt #: 87 total cpu time spent up to now is 73.4 secs Computing kpt #: 88 total cpu time spent up to now is 74.3 secs Computing kpt #: 89 total cpu time spent up to now is 75.0 secs Computing kpt #: 90 total cpu time spent up to now is 75.8 secs Computing kpt #: 91 total cpu time spent up to now is 76.6 secs Computing kpt #: 92 total cpu time spent up to now is 77.3 secs Computing kpt #: 93 total cpu time spent up to now is 78.1 secs Computing kpt #: 94 total cpu time spent up to now is 78.9 secs Computing kpt #: 95 total cpu time spent up to now is 79.7 secs Computing kpt #: 96 total cpu time spent up to now is 80.4 secs Computing kpt #: 97 total cpu time spent up to now is 81.2 secs Computing kpt #: 98 total cpu time spent up to now is 81.9 secs Computing kpt #: 99 total cpu time spent up to now is 82.7 secs Computing kpt #: 100 total cpu time spent up to now is 83.4 secs Computing kpt #: 101 total cpu time spent up to now is 84.2 secs Computing kpt #: 102 total cpu time spent up to now is 84.9 secs Computing kpt #: 103 total cpu time spent up to now is 85.7 secs Computing kpt #: 104 total cpu time spent up to now is 86.4 secs Computing kpt #: 105 total cpu time spent up to now is 87.1 secs Computing kpt #: 106 total cpu time spent up to now is 87.9 secs Computing kpt #: 107 total cpu time spent up to now is 88.7 secs Computing kpt #: 108 total cpu time spent up to now is 89.4 secs Computing kpt #: 109 total cpu time spent up to now is 90.1 secs Computing kpt #: 110 total cpu time spent up to now is 90.9 secs Computing kpt #: 111 total cpu time spent up to now is 91.7 secs Computing kpt #: 112 total cpu time spent up to now is 92.4 secs Computing kpt #: 113 total cpu time spent up to now is 93.2 secs Computing kpt #: 114 total cpu time spent up to now is 93.9 secs Computing kpt #: 115 total cpu time spent up to now is 94.7 secs Computing kpt #: 116 total cpu time spent up to now is 95.4 secs Computing kpt #: 117 total cpu time spent up to now is 96.2 secs Computing kpt #: 118 total cpu time spent up to now is 96.9 secs Computing kpt #: 119 total cpu time spent up to now is 97.7 secs Computing kpt #: 120 total cpu time spent up to now is 98.5 secs Computing kpt #: 121 total cpu time spent up to now is 99.3 secs Computing kpt #: 122 total cpu time spent up to now is 100.1 secs Computing kpt #: 123 total cpu time spent up to now is 100.9 secs Computing kpt #: 124 total cpu time spent up to now is 101.7 secs Computing kpt #: 125 total cpu time spent up to now is 102.5 secs Computing kpt #: 126 total cpu time spent up to now is 103.3 secs Computing kpt #: 127 total cpu time spent up to now is 104.1 secs Computing kpt #: 128 total cpu time spent up to now is 104.8 secs Computing kpt #: 129 total cpu time spent up to now is 105.5 secs Computing kpt #: 130 total cpu time spent up to now is 106.3 secs Computing kpt #: 131 total cpu time spent up to now is 107.0 secs Computing kpt #: 132 total cpu time spent up to now is 107.7 secs Computing kpt #: 133 total cpu time spent up to now is 108.5 secs Computing kpt #: 134 total cpu time spent up to now is 109.2 secs Computing kpt #: 135 total cpu time spent up to now is 109.9 secs Computing kpt #: 136 total cpu time spent up to now is 110.6 secs Computing kpt #: 137 total cpu time spent up to now is 111.3 secs Computing kpt #: 138 total cpu time spent up to now is 112.0 secs Computing kpt #: 139 total cpu time spent up to now is 112.7 secs Computing kpt #: 140 total cpu time spent up to now is 113.5 secs Computing kpt #: 141 total cpu time spent up to now is 114.2 secs Computing kpt #: 142 total cpu time spent up to now is 114.9 secs Computing kpt #: 143 total cpu time spent up to now is 115.6 secs Computing kpt #: 144 total cpu time spent up to now is 116.3 secs Computing kpt #: 145 total cpu time spent up to now is 117.1 secs Computing kpt #: 146 total cpu time spent up to now is 117.8 secs Computing kpt #: 147 total cpu time spent up to now is 118.5 secs Computing kpt #: 148 total cpu time spent up to now is 119.2 secs Computing kpt #: 149 total cpu time spent up to now is 119.9 secs Computing kpt #: 150 total cpu time spent up to now is 120.7 secs Computing kpt #: 151 total cpu time spent up to now is 121.4 secs Computing kpt #: 152 total cpu time spent up to now is 122.1 secs Computing kpt #: 153 total cpu time spent up to now is 122.8 secs Computing kpt #: 154 total cpu time spent up to now is 123.5 secs Computing kpt #: 155 total cpu time spent up to now is 124.3 secs Computing kpt #: 156 total cpu time spent up to now is 125.0 secs Computing kpt #: 157 total cpu time spent up to now is 125.7 secs Computing kpt #: 158 total cpu time spent up to now is 126.5 secs Computing kpt #: 159 total cpu time spent up to now is 127.3 secs Computing kpt #: 160 total cpu time spent up to now is 128.0 secs Computing kpt #: 161 total cpu time spent up to now is 128.7 secs Computing kpt #: 162 total cpu time spent up to now is 129.5 secs Computing kpt #: 163 total cpu time spent up to now is 130.3 secs Computing kpt #: 164 total cpu time spent up to now is 131.0 secs Computing kpt #: 165 total cpu time spent up to now is 131.8 secs Computing kpt #: 166 total cpu time spent up to now is 132.5 secs Computing kpt #: 167 total cpu time spent up to now is 133.3 secs Computing kpt #: 168 total cpu time spent up to now is 134.1 secs Computing kpt #: 169 total cpu time spent up to now is 134.8 secs Computing kpt #: 170 total cpu time spent up to now is 135.6 secs Computing kpt #: 171 total cpu time spent up to now is 136.3 secs Computing kpt #: 172 total cpu time spent up to now is 137.0 secs Computing kpt #: 173 total cpu time spent up to now is 137.8 secs Computing kpt #: 174 total cpu time spent up to now is 138.5 secs Computing kpt #: 175 total cpu time spent up to now is 139.3 secs Computing kpt #: 176 total cpu time spent up to now is 140.0 secs Computing kpt #: 177 total cpu time spent up to now is 140.8 secs Computing kpt #: 178 total cpu time spent up to now is 141.5 secs Computing kpt #: 179 total cpu time spent up to now is 142.3 secs Computing kpt #: 180 total cpu time spent up to now is 143.0 secs Computing kpt #: 181 total cpu time spent up to now is 143.8 secs Computing kpt #: 182 total cpu time spent up to now is 144.6 secs Computing kpt #: 183 total cpu time spent up to now is 145.4 secs Computing kpt #: 184 total cpu time spent up to now is 146.2 secs Computing kpt #: 185 total cpu time spent up to now is 147.0 secs Computing kpt #: 186 total cpu time spent up to now is 147.8 secs Computing kpt #: 187 total cpu time spent up to now is 148.6 secs Computing kpt #: 188 total cpu time spent up to now is 149.4 secs Computing kpt #: 189 total cpu time spent up to now is 150.2 secs Computing kpt #: 190 total cpu time spent up to now is 151.0 secs Computing kpt #: 191 total cpu time spent up to now is 151.8 secs Computing kpt #: 192 total cpu time spent up to now is 152.6 secs Computing kpt #: 193 total cpu time spent up to now is 153.4 secs Computing kpt #: 194 total cpu time spent up to now is 154.2 secs Computing kpt #: 195 total cpu time spent up to now is 155.0 secs Computing kpt #: 196 total cpu time spent up to now is 155.8 secs Computing kpt #: 197 total cpu time spent up to now is 156.6 secs Computing kpt #: 198 total cpu time spent up to now is 157.4 secs Computing kpt #: 199 total cpu time spent up to now is 158.2 secs Computing kpt #: 200 total cpu time spent up to now is 159.0 secs Computing kpt #: 201 total cpu time spent up to now is 159.8 secs Computing kpt #: 202 total cpu time spent up to now is 160.6 secs Computing kpt #: 203 total cpu time spent up to now is 161.4 secs Computing kpt #: 204 total cpu time spent up to now is 162.2 secs Computing kpt #: 205 total cpu time spent up to now is 163.0 secs Computing kpt #: 206 total cpu time spent up to now is 163.8 secs Computing kpt #: 207 total cpu time spent up to now is 164.6 secs Computing kpt #: 208 total cpu time spent up to now is 165.4 secs Computing kpt #: 209 total cpu time spent up to now is 166.2 secs Computing kpt #: 210 total cpu time spent up to now is 167.0 secs Computing kpt #: 211 total cpu time spent up to now is 167.8 secs Computing kpt #: 212 total cpu time spent up to now is 168.6 secs Computing kpt #: 213 total cpu time spent up to now is 169.4 secs Computing kpt #: 214 total cpu time spent up to now is 170.1 secs Computing kpt #: 215 total cpu time spent up to now is 170.9 secs Computing kpt #: 216 total cpu time spent up to now is 171.7 secs Computing kpt #: 217 total cpu time spent up to now is 172.5 secs Computing kpt #: 218 total cpu time spent up to now is 173.2 secs Computing kpt #: 219 total cpu time spent up to now is 174.0 secs Computing kpt #: 220 total cpu time spent up to now is 174.8 secs Computing kpt #: 221 total cpu time spent up to now is 175.6 secs Computing kpt #: 222 total cpu time spent up to now is 176.5 secs Computing kpt #: 223 total cpu time spent up to now is 177.2 secs Computing kpt #: 224 total cpu time spent up to now is 178.1 secs Computing kpt #: 225 total cpu time spent up to now is 179.1 secs Computing kpt #: 226 total cpu time spent up to now is 180.0 secs Computing kpt #: 227 total cpu time spent up to now is 181.0 secs Computing kpt #: 228 total cpu time spent up to now is 182.0 secs Computing kpt #: 229 total cpu time spent up to now is 183.0 secs Computing kpt #: 230 total cpu time spent up to now is 183.9 secs Computing kpt #: 231 total cpu time spent up to now is 184.8 secs Computing kpt #: 232 total cpu time spent up to now is 185.7 secs Computing kpt #: 233 total cpu time spent up to now is 186.6 secs Computing kpt #: 234 total cpu time spent up to now is 187.5 secs Computing kpt #: 235 total cpu time spent up to now is 188.2 secs Computing kpt #: 236 total cpu time spent up to now is 189.0 secs Computing kpt #: 237 total cpu time spent up to now is 189.9 secs Computing kpt #: 238 total cpu time spent up to now is 190.8 secs Computing kpt #: 239 total cpu time spent up to now is 191.7 secs Computing kpt #: 240 total cpu time spent up to now is 193.0 secs Computing kpt #: 241 total cpu time spent up to now is 194.1 secs Computing kpt #: 242 total cpu time spent up to now is 195.1 secs Computing kpt #: 243 total cpu time spent up to now is 196.0 secs Computing kpt #: 244 total cpu time spent up to now is 197.1 secs Computing kpt #: 245 total cpu time spent up to now is 198.1 secs Computing kpt #: 246 total cpu time spent up to now is 198.9 secs Computing kpt #: 247 total cpu time spent up to now is 199.8 secs Computing kpt #: 248 total cpu time spent up to now is 200.6 secs Computing kpt #: 249 total cpu time spent up to now is 201.4 secs Computing kpt #: 250 total cpu time spent up to now is 202.2 secs Computing kpt #: 251 total cpu time spent up to now is 203.0 secs Computing kpt #: 252 total cpu time spent up to now is 203.8 secs Computing kpt #: 253 total cpu time spent up to now is 204.6 secs Computing kpt #: 254 total cpu time spent up to now is 205.4 secs Computing kpt #: 255 total cpu time spent up to now is 206.1 secs Computing kpt #: 256 total cpu time spent up to now is 206.9 secs Computing kpt #: 257 total cpu time spent up to now is 207.6 secs Computing kpt #: 258 total cpu time spent up to now is 208.4 secs Computing kpt #: 259 total cpu time spent up to now is 209.1 secs Computing kpt #: 260 total cpu time spent up to now is 209.8 secs Computing kpt #: 261 total cpu time spent up to now is 210.6 secs Computing kpt #: 262 total cpu time spent up to now is 211.3 secs Computing kpt #: 263 total cpu time spent up to now is 212.1 secs Computing kpt #: 264 total cpu time spent up to now is 212.8 secs Computing kpt #: 265 total cpu time spent up to now is 213.5 secs Computing kpt #: 266 total cpu time spent up to now is 214.3 secs Computing kpt #: 267 total cpu time spent up to now is 215.0 secs Computing kpt #: 268 total cpu time spent up to now is 215.7 secs Computing kpt #: 269 total cpu time spent up to now is 216.4 secs Computing kpt #: 270 total cpu time spent up to now is 217.2 secs Computing kpt #: 271 total cpu time spent up to now is 217.9 secs Computing kpt #: 272 total cpu time spent up to now is 218.6 secs Computing kpt #: 273 total cpu time spent up to now is 219.4 secs Computing kpt #: 274 total cpu time spent up to now is 220.2 secs Computing kpt #: 275 total cpu time spent up to now is 220.9 secs Computing kpt #: 276 total cpu time spent up to now is 221.6 secs Computing kpt #: 277 total cpu time spent up to now is 222.4 secs Computing kpt #: 278 total cpu time spent up to now is 223.2 secs Computing kpt #: 279 total cpu time spent up to now is 223.9 secs Computing kpt #: 280 total cpu time spent up to now is 224.7 secs Computing kpt #: 281 total cpu time spent up to now is 225.4 secs Computing kpt #: 282 total cpu time spent up to now is 226.2 secs Computing kpt #: 283 total cpu time spent up to now is 226.9 secs Computing kpt #: 284 total cpu time spent up to now is 227.7 secs Computing kpt #: 285 total cpu time spent up to now is 228.5 secs Computing kpt #: 286 total cpu time spent up to now is 229.2 secs Computing kpt #: 287 total cpu time spent up to now is 230.0 secs Computing kpt #: 288 total cpu time spent up to now is 230.7 secs Computing kpt #: 289 total cpu time spent up to now is 231.5 secs Computing kpt #: 290 total cpu time spent up to now is 232.2 secs Computing kpt #: 291 total cpu time spent up to now is 233.2 secs Computing kpt #: 292 total cpu time spent up to now is 234.1 secs Computing kpt #: 293 total cpu time spent up to now is 235.0 secs Computing kpt #: 294 total cpu time spent up to now is 236.0 secs Computing kpt #: 295 total cpu time spent up to now is 237.0 secs Computing kpt #: 296 total cpu time spent up to now is 237.9 secs Computing kpt #: 297 total cpu time spent up to now is 238.9 secs Computing kpt #: 298 total cpu time spent up to now is 239.8 secs Computing kpt #: 299 total cpu time spent up to now is 240.6 secs Computing kpt #: 300 total cpu time spent up to now is 241.6 secs Computing kpt #: 301 total cpu time spent up to now is 242.4 secs Computing kpt #: 302 total cpu time spent up to now is 243.2 secs Computing kpt #: 303 total cpu time spent up to now is 244.0 secs Computing kpt #: 304 total cpu time spent up to now is 244.8 secs Computing kpt #: 305 total cpu time spent up to now is 245.6 secs Computing kpt #: 306 total cpu time spent up to now is 246.5 secs Computing kpt #: 307 total cpu time spent up to now is 247.2 secs Computing kpt #: 308 total cpu time spent up to now is 248.0 secs Computing kpt #: 309 total cpu time spent up to now is 248.8 secs Computing kpt #: 310 total cpu time spent up to now is 249.6 secs Computing kpt #: 311 total cpu time spent up to now is 250.4 secs Computing kpt #: 312 total cpu time spent up to now is 251.2 secs Computing kpt #: 313 total cpu time spent up to now is 252.0 secs Computing kpt #: 314 total cpu time spent up to now is 252.8 secs Computing kpt #: 315 total cpu time spent up to now is 253.6 secs Computing kpt #: 316 total cpu time spent up to now is 254.5 secs Computing kpt #: 317 total cpu time spent up to now is 255.3 secs Computing kpt #: 318 total cpu time spent up to now is 256.1 secs Computing kpt #: 319 total cpu time spent up to now is 256.9 secs Computing kpt #: 320 total cpu time spent up to now is 257.7 secs Computing kpt #: 321 total cpu time spent up to now is 258.5 secs Computing kpt #: 322 total cpu time spent up to now is 259.3 secs Computing kpt #: 323 total cpu time spent up to now is 260.1 secs Computing kpt #: 324 total cpu time spent up to now is 260.9 secs Computing kpt #: 325 total cpu time spent up to now is 261.7 secs Computing kpt #: 326 total cpu time spent up to now is 262.5 secs Computing kpt #: 327 total cpu time spent up to now is 263.3 secs Computing kpt #: 328 total cpu time spent up to now is 264.1 secs Computing kpt #: 329 total cpu time spent up to now is 264.9 secs Computing kpt #: 330 total cpu time spent up to now is 265.7 secs Computing kpt #: 331 total cpu time spent up to now is 266.5 secs Computing kpt #: 332 total cpu time spent up to now is 267.3 secs Computing kpt #: 333 total cpu time spent up to now is 268.1 secs Computing kpt #: 334 total cpu time spent up to now is 268.9 secs Computing kpt #: 335 total cpu time spent up to now is 269.7 secs Computing kpt #: 336 total cpu time spent up to now is 270.5 secs Computing kpt #: 337 total cpu time spent up to now is 271.3 secs Computing kpt #: 338 total cpu time spent up to now is 272.1 secs ethr = 3.13E-08, avg # of iterations = 15.4 total cpu time spent up to now is 272.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14499 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5720 -42.5720 -9.9554 -9.9554 -8.3466 -8.3466 -5.9608 -5.9608 -1.7212 -1.7212 -1.7201 -1.7201 -1.2659 -1.2659 -1.0709 -1.0709 0.6081 0.6081 0.6100 0.6100 1.9323 1.9323 3.0503 3.0503 3.8782 3.8782 4.3495 4.3495 4.3513 4.3513 5.9484 5.9484 6.0600 6.0600 k = 0.0000 0.0132-0.0000 ( 14503 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9546 -9.9546 -8.3467 -8.3467 -5.9620 -5.9620 -1.7311 -1.7309 -1.7197 -1.7197 -1.2621 -1.2619 -1.0624 -1.0623 0.6048 0.6049 0.6096 0.6096 1.9345 1.9347 3.0531 3.0532 3.8671 3.8673 4.3450 4.3451 4.3586 4.3588 5.9522 5.9522 6.0595 6.0595 k = 0.0000 0.0263-0.0000 ( 14521 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5720 -42.5720 -9.9524 -9.9524 -8.3470 -8.3470 -5.9654 -5.9654 -1.7597 -1.7595 -1.7169 -1.7169 -1.2529 -1.2526 -1.0370 -1.0370 0.5931 0.5933 0.6105 0.6105 1.9414 1.9418 3.0615 3.0616 3.8360 3.8364 4.3294 4.3295 4.3812 4.3815 5.9631 5.9631 6.0583 6.0584 k = 0.0000 0.0395-0.0000 ( 14525 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5720 -42.5720 -9.9488 -9.9488 -8.3476 -8.3476 -5.9711 -5.9711 -1.8013 -1.8010 -1.7123 -1.7123 -1.2423 -1.2419 -0.9960 -0.9960 0.5738 0.5741 0.6122 0.6122 1.9528 1.9533 3.0753 3.0754 3.7896 3.7901 4.3040 4.3042 4.4138 4.4143 5.9795 5.9796 6.0572 6.0574 k = 0.0000 0.0526-0.0000 ( 14519 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5720 -42.5720 -9.9437 -9.9437 -8.3483 -8.3483 -5.9790 -5.9790 -1.8507 -1.8503 -1.7058 -1.7057 -1.2327 -1.2323 -0.9425 -0.9423 0.5476 0.5479 0.6146 0.6146 1.9684 1.9691 3.0943 3.0945 3.7320 3.7326 4.2701 4.2704 4.4523 4.4528 5.9971 5.9976 6.0590 6.0596 k = 0.0000 0.0658-0.0000 ( 14495 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9372 -9.9372 -8.3493 -8.3493 -5.9891 -5.9891 -1.9041 -1.9037 -1.6974 -1.6974 -1.2244 -1.2241 -0.8800 -0.8798 0.5150 0.5154 0.6176 0.6177 1.9881 1.9890 3.1183 3.1186 3.6664 3.6671 4.2288 4.2291 4.4937 4.4942 6.0080 6.0090 6.0703 6.0715 k = 0.0000 0.0789-0.0000 ( 14495 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9293 -9.9293 -8.3506 -8.3506 -6.0014 -6.0013 -1.9590 -1.9586 -1.6872 -1.6872 -1.2171 -1.2168 -0.8118 -0.8115 0.4770 0.4774 0.6214 0.6215 2.0117 2.0127 3.1469 3.1472 3.5950 3.5957 4.1815 4.1818 4.5362 4.5367 6.0074 6.0087 6.0947 6.0962 k = 0.0000 0.0921-0.0000 ( 14503 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9200 -9.9200 -8.3522 -8.3521 -6.0157 -6.0157 -2.0138 -2.0134 -1.6753 -1.6752 -1.2102 -1.2099 -0.7403 -0.7401 0.4343 0.4348 0.6257 0.6259 2.0388 2.0399 3.1798 3.1801 3.5191 3.5198 4.1294 4.1298 4.5785 4.5790 5.9994 6.0007 6.1266 6.1281 k = 0.0000 0.1053-0.0000 ( 14489 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.9093 -9.9093 -8.3541 -8.3540 -6.0321 -6.0321 -2.0674 -2.0670 -1.6615 -1.6615 -1.2035 -1.2033 -0.6675 -0.6672 0.3877 0.3883 0.6307 0.6309 2.0694 2.0707 3.2165 3.2169 3.4395 3.4403 4.0738 4.0742 4.6200 4.6206 5.9870 5.9884 6.1610 6.1627 k = 0.0000 0.1184-0.0000 ( 14485 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.8972 -9.8972 -8.3563 -8.3563 -6.0504 -6.0503 -2.1191 -2.1187 -1.6460 -1.6460 -1.1969 -1.1966 -0.5947 -0.5944 0.3383 0.3389 0.6363 0.6365 2.1034 2.1047 3.2567 3.2571 3.3572 3.3580 4.0157 4.0161 4.6604 4.6610 5.9713 5.9728 6.1956 6.1973 k = 0.0000 0.1316-0.0000 ( 14487 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.8838 -9.8838 -8.3590 -8.3590 -6.0705 -6.0704 -2.1682 -2.1679 -1.6288 -1.6288 -1.1902 -1.1900 -0.5234 -0.5231 0.2869 0.2876 0.6424 0.6426 2.1405 2.1419 3.2725 3.2733 3.3000 3.3004 3.9563 3.9567 4.6994 4.6999 5.9525 5.9541 6.2287 6.2306 k = 0.0000 0.1447-0.0000 ( 14491 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.8690 -9.8690 -8.3621 -8.3621 -6.0923 -6.0922 -2.2145 -2.2142 -1.6100 -1.6100 -1.1834 -1.1833 -0.4547 -0.4545 0.2346 0.2355 0.6491 0.6493 2.1808 2.1823 3.1860 3.1868 3.3460 3.3464 3.8963 3.8967 4.7369 4.7374 5.9308 5.9324 6.2593 6.2612 k = 0.0000 0.1579-0.0000 ( 14485 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.8530 -9.8530 -8.3658 -8.3657 -6.1157 -6.1156 -2.2578 -2.2574 -1.5895 -1.5895 -1.1768 -1.1766 -0.3903 -0.3901 0.1830 0.1839 0.6563 0.6565 2.2242 2.2257 3.0981 3.0989 3.3943 3.3948 3.8366 3.8370 4.7728 4.7733 5.9060 5.9078 6.2863 6.2884 k = 0.0000 0.1711-0.0000 ( 14483 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.8358 -9.8357 -8.3699 -8.3699 -6.1404 -6.1404 -2.2977 -2.2974 -1.5675 -1.5675 -1.1702 -1.1701 -0.3320 -0.3320 0.1338 0.1349 0.6639 0.6642 2.2705 2.2721 3.0091 3.0099 3.4445 3.4450 3.7780 3.7785 4.8070 4.8075 5.8783 5.8801 6.3095 6.3116 k = 0.0000 0.1842-0.0000 ( 14487 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.8173 -9.8173 -8.3747 -8.3747 -6.1664 -6.1664 -2.3342 -2.3339 -1.5440 -1.5440 -1.1639 -1.1638 -0.2832 -0.2830 0.0904 0.0917 0.6720 0.6723 2.3197 2.3213 2.9194 2.9202 3.4958 3.4964 3.7217 3.7222 4.8397 4.8401 5.8474 5.8493 6.3285 6.3307 k = 0.0000 0.1974-0.0000 ( 14487 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.7977 -9.7977 -8.3802 -8.3801 -6.1935 -6.1934 -2.3673 -2.3670 -1.5190 -1.5190 -1.1582 -1.1581 -0.2489 -0.2485 0.0578 0.0594 0.6805 0.6808 2.3716 2.3733 2.8292 2.8301 3.5457 3.5463 3.6705 3.6710 4.8707 4.8711 5.8136 5.8155 6.3436 6.3458 k = 0.0000 0.2105-0.0000 ( 14489 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.7770 -9.7770 -8.3863 -8.3862 -6.2214 -6.2213 -2.3969 -2.3967 -1.4927 -1.4927 -1.1531 -1.1531 -0.2354 -0.2348 0.0428 0.0445 0.6893 0.6896 2.4260 2.4277 2.7390 2.7398 3.5747 3.5753 3.6441 3.6446 4.9001 4.9005 5.7768 5.7787 6.3550 6.3573 k = 0.0000 0.2237-0.0000 ( 14505 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.7552 -9.7552 -8.3932 -8.3931 -6.2500 -6.2499 -2.4231 -2.4229 -1.4652 -1.4652 -1.1491 -1.1491 -0.2448 -0.2442 0.0478 0.0495 0.6984 0.6988 2.4826 2.4843 2.6489 2.6498 3.5456 3.5457 3.6804 3.6805 4.9279 4.9283 5.7374 5.7393 6.3634 6.3657 k = 0.0000 0.2368-0.0000 ( 14513 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.7325 -9.7325 -8.4009 -8.4008 -6.2790 -6.2790 -2.4459 -2.4457 -1.4366 -1.4366 -1.1466 -1.1465 -0.2710 -0.2706 0.0671 0.0687 0.7078 0.7082 2.5410 2.5427 2.5593 2.5602 3.5017 3.5017 3.7354 3.7357 4.9541 4.9545 5.6955 5.6974 6.3695 6.3717 k = 0.0000 0.2500-0.0000 ( 14533 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.7088 -9.7088 -8.4094 -8.4094 -6.3083 -6.3082 -2.4654 -2.4651 -1.4069 -1.4069 -1.1458 -1.1458 -0.3056 -0.3053 0.0927 0.0941 0.7174 0.7178 2.4705 2.4714 2.6009 2.6025 3.4583 3.4584 3.7942 3.7946 4.9788 4.9792 5.6515 5.6534 6.3740 6.3762 k = 0.0000 0.2632-0.0000 ( 14511 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.6844 -9.6843 -8.4189 -8.4188 -6.3375 -6.3375 -2.4816 -2.4814 -1.3763 -1.3763 -1.1473 -1.1473 -0.3428 -0.3426 0.1193 0.1206 0.7272 0.7277 2.3827 2.3836 2.6616 2.6632 3.4176 3.4177 3.8549 3.8552 5.0019 5.0023 5.6058 5.6077 6.3778 6.3800 k = 0.0000 0.2763-0.0000 ( 14513 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.6592 -9.6592 -8.4292 -8.4291 -6.3666 -6.3665 -2.4948 -2.4946 -1.3449 -1.3449 -1.1515 -1.1514 -0.3792 -0.3791 0.1443 0.1454 0.7372 0.7376 2.2963 2.2972 2.7228 2.7244 3.3802 3.3802 3.9167 3.9171 5.0235 5.0239 5.5588 5.5607 6.3816 6.3836 k = 0.0000 0.2895-0.0000 ( 14507 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.6334 -9.6334 -8.4404 -8.4403 -6.3952 -6.3951 -2.5050 -2.5049 -1.3130 -1.3130 -1.1588 -1.1587 -0.4128 -0.4128 0.1662 0.1672 0.7472 0.7477 2.2115 2.2124 2.7838 2.7853 3.3462 3.3463 3.9793 3.9797 5.0435 5.0439 5.5109 5.5128 6.3860 6.3879 k = 0.0000 0.3026-0.0000 ( 14517 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.6071 -9.6071 -8.4524 -8.4524 -6.4231 -6.4231 -2.5126 -2.5124 -1.2807 -1.2807 -1.1695 -1.1694 -0.4425 -0.4424 0.1846 0.1855 0.7573 0.7578 2.1287 2.1296 2.8441 2.8455 3.3159 3.3160 4.0423 4.0427 5.0621 5.0624 5.4626 5.4644 6.3917 6.3934 k = 0.0000 0.3158-0.0000 ( 14521 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.5804 -9.5804 -8.4654 -8.4653 -6.4502 -6.4501 -2.5175 -2.5174 -1.2483 -1.2482 -1.1837 -1.1836 -0.4674 -0.4672 0.1992 0.2000 0.7674 0.7680 2.0480 2.0489 2.9030 2.9044 3.2892 3.2893 4.1054 4.1058 5.0791 5.0795 5.4144 5.4162 6.3991 6.4007 k = 0.0000 0.3289-0.0000 ( 14525 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.5536 -9.5536 -8.4791 -8.4790 -6.4762 -6.4762 -2.5201 -2.5200 -1.2158 -1.2158 -1.2014 -1.2012 -0.4872 -0.4870 0.2101 0.2109 0.7775 0.7781 1.9700 1.9709 2.9599 2.9612 3.2661 3.2661 4.1680 4.1685 5.0948 5.0951 5.3667 5.3684 6.4087 6.4101 k = 0.0000 0.3421-0.0000 ( 14517 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.5267 -9.5267 -8.4935 -8.4934 -6.5010 -6.5010 -2.5207 -2.5206 -1.2221 -1.2219 -1.1837 -1.1837 -0.5021 -0.5018 0.2176 0.2182 0.7876 0.7881 1.8949 1.8958 3.0143 3.0155 3.2465 3.2465 4.2299 4.2303 5.1090 5.1093 5.3199 5.3215 6.4210 6.4222 k = 0.0000 0.3553-0.0000 ( 14511 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.5000 -9.5000 -8.5085 -8.5084 -6.5244 -6.5243 -2.5193 -2.5193 -1.2453 -1.2451 -1.1522 -1.1522 -0.5122 -0.5120 0.2219 0.2225 0.7975 0.7981 1.8230 1.8239 3.0656 3.0667 3.2302 3.2303 4.2903 4.2908 5.1218 5.1220 5.2744 5.2760 6.4362 6.4372 k = 0.0000 0.3684-0.0000 ( 14516 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.4737 -9.4737 -8.5239 -8.5238 -6.5462 -6.5461 -2.5165 -2.5164 -1.2703 -1.2701 -1.1216 -1.1216 -0.5182 -0.5180 0.2234 0.2239 0.8073 0.8079 1.7548 1.7556 3.1129 3.1138 3.2176 3.2177 4.3487 4.3492 5.1332 5.1335 5.2306 5.2321 6.4546 6.4555 k = 0.0000 0.3816-0.0000 ( 14514 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.4481 -9.4481 -8.5395 -8.5394 -6.5663 -6.5663 -2.5123 -2.5123 -1.2962 -1.2960 -1.0923 -1.0923 -0.5208 -0.5206 0.2226 0.2230 0.8170 0.8176 1.6906 1.6914 3.1540 3.1546 3.2100 3.2103 4.4046 4.4051 5.1434 5.1436 5.1889 5.1903 6.4764 6.4771 k = 0.0000 0.3947-0.0000 ( 14510 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.4236 -9.4235 -8.5550 -8.5550 -6.5846 -6.5845 -2.5072 -2.5072 -1.3222 -1.3220 -1.0646 -1.0646 -0.5206 -0.5204 0.2199 0.2203 0.8264 0.8270 1.6309 1.6317 3.1787 3.1788 3.2171 3.2180 4.4572 4.4577 5.1494 5.1509 5.1523 5.1527 6.5016 6.5021 k = 0.0000 0.4079-0.0000 ( 14526 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.4003 -9.4003 -8.5702 -8.5701 -6.6009 -6.6009 -2.5015 -2.5015 -1.3474 -1.3472 -1.0389 -1.0388 -0.5185 -0.5182 0.2159 0.2162 0.8354 0.8360 1.5762 1.5770 3.1807 3.1809 3.2447 3.2456 4.5061 4.5066 5.1130 5.1143 5.1600 5.1602 6.5301 6.5304 k = 0.0000 0.4211-0.0000 ( 14534 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3788 -9.3788 -8.5846 -8.5846 -6.6153 -6.6152 -2.4956 -2.4956 -1.3711 -1.3709 -1.0155 -1.0155 -0.5150 -0.5148 0.2111 0.2113 0.8440 0.8446 1.5270 1.5278 3.1778 3.1779 3.2745 3.2753 4.5506 4.5511 5.0794 5.0806 5.1666 5.1667 6.5618 6.5619 k = 0.0000 0.4342-0.0000 ( 14538 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3595 -9.3595 -8.5980 -8.5979 -6.6275 -6.6275 -2.4898 -2.4898 -1.3925 -1.3924 -0.9949 -0.9949 -0.5108 -0.5106 0.2059 0.2061 0.8521 0.8526 1.4839 1.4845 3.1749 3.1751 3.3010 3.3016 4.5902 4.5908 5.0493 5.0504 5.1720 5.1721 6.5961 6.5962 k = 0.0000 0.4474-0.0000 ( 14546 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3428 -9.3428 -8.6097 -8.6097 -6.6376 -6.6376 -2.4844 -2.4844 -1.4110 -1.4109 -0.9775 -0.9775 -0.5065 -0.5064 0.2009 0.2011 0.8592 0.8597 1.4473 1.4479 3.1728 3.1729 3.3232 3.3237 4.6244 4.6249 5.0230 5.0240 5.1764 5.1765 6.6324 6.6327 k = 0.0000 0.4605-0.0000 ( 14550 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3292 -9.3292 -8.6195 -8.6195 -6.6455 -6.6455 -2.4799 -2.4798 -1.4260 -1.4259 -0.9636 -0.9635 -0.5027 -0.5025 0.1965 0.1966 0.8653 0.8657 1.4181 1.4185 3.1713 3.1714 3.3406 3.3410 4.6526 4.6530 5.0011 5.0019 5.1798 5.1799 6.6699 6.6703 k = 0.0000 0.4737-0.0000 ( 14524 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3192 -9.3192 -8.6268 -8.6268 -6.6511 -6.6511 -2.4764 -2.4764 -1.4370 -1.4369 -0.9534 -0.9534 -0.4996 -0.4995 0.1931 0.1932 0.8700 0.8703 1.3967 1.3970 3.1703 3.1704 3.3532 3.3534 4.6738 4.6741 4.9844 4.9850 5.1822 5.1822 6.7067 6.7071 k = 0.0000 0.4868-0.0000 ( 14518 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3130 -9.3130 -8.6313 -8.6313 -6.6546 -6.6545 -2.4742 -2.4742 -1.4438 -1.4437 -0.9471 -0.9471 -0.4976 -0.4975 0.1909 0.1910 0.8730 0.8732 1.3836 1.3838 3.1698 3.1699 3.3608 3.3609 4.6872 4.6873 4.9739 4.9742 5.1836 5.1836 6.7382 6.7385 k = 0.0000 0.5000-0.0000 ( 14522 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3109 -9.3109 -8.6329 -8.6329 -6.6557 -6.6557 -2.4734 -2.4734 -1.4460 -1.4460 -0.9451 -0.9451 -0.4969 -0.4969 0.1902 0.1902 0.8741 0.8741 1.3793 1.3793 3.1697 3.1697 3.3633 3.3633 4.6918 4.6918 4.9703 4.9703 5.1841 5.1841 6.7524 6.7524 k = 0.0000 0.5000-0.0000 ( 14522 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3109 -9.3109 -8.6329 -8.6329 -6.6557 -6.6557 -2.4734 -2.4734 -1.4460 -1.4460 -0.9451 -0.9451 -0.4969 -0.4969 0.1902 0.1902 0.8741 0.8741 1.3793 1.3793 3.1697 3.1697 3.3633 3.3633 4.6918 4.6918 4.9703 4.9703 5.1841 5.1841 6.7524 6.7524 k = 0.0132 0.5000-0.0000 ( 14518 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3100 -9.3100 -8.6327 -8.6327 -6.6568 -6.6568 -2.4727 -2.4726 -1.4577 -1.4577 -0.9344 -0.9342 -0.4948 -0.4945 0.1881 0.1882 0.8741 0.8743 1.3768 1.3769 3.1680 3.1681 3.3652 3.3653 4.6931 4.6931 4.9557 4.9557 5.1985 5.1988 6.7553 6.7554 k = 0.0263 0.5000-0.0000 ( 14512 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3076 -9.3076 -8.6320 -8.6320 -6.6603 -6.6603 -2.4703 -2.4703 -1.4897 -1.4897 -0.9057 -0.9054 -0.4879 -0.4873 0.1818 0.1821 0.8743 0.8746 1.3694 1.3696 3.1629 3.1631 3.3710 3.3710 4.6970 4.6970 4.9200 4.9200 5.2338 5.2342 6.7641 6.7643 k = 0.0395 0.5000-0.0000 ( 14500 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3035 -9.3035 -8.6309 -8.6309 -6.6661 -6.6661 -2.4665 -2.4665 -1.5356 -1.5355 -0.8668 -0.8663 -0.4749 -0.4741 0.1715 0.1720 0.8747 0.8752 1.3573 1.3575 3.1545 3.1548 3.3806 3.3807 4.7033 4.7034 4.8749 4.8750 5.2784 5.2789 6.7788 6.7790 k = 0.0526 0.5000-0.0000 ( 14500 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.2977 -9.2977 -8.6293 -8.6293 -6.6742 -6.6742 -2.4611 -2.4611 -1.5894 -1.5893 -0.8257 -0.8249 -0.4540 -0.4528 0.1572 0.1578 0.8755 0.8762 1.3408 1.3411 3.1426 3.1430 3.3942 3.3943 4.7120 4.7121 4.8265 4.8267 5.3262 5.3268 6.7991 6.7994 k = 0.0658 0.5000-0.0000 ( 14500 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.2904 -9.2903 -8.6273 -8.6273 -6.6846 -6.6846 -2.4542 -2.4541 -1.6471 -1.6470 -0.7886 -0.7877 -0.4229 -0.4214 0.1388 0.1396 0.8768 0.8776 1.3203 1.3207 3.1270 3.1276 3.4117 3.4119 4.7228 4.7229 4.7776 4.7780 5.3744 5.3751 6.8249 6.8253 k = 0.0789 0.5000-0.0000 ( 14516 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.2814 -9.2814 -8.6249 -8.6249 -6.6973 -6.6972 -2.4458 -2.4457 -1.7062 -1.7060 -0.7598 -0.7588 -0.3804 -0.3788 0.1166 0.1174 0.8786 0.8795 1.2963 1.2968 3.1077 3.1084 3.4334 3.4335 4.7300 4.7304 4.7355 4.7357 5.4216 5.4224 6.8561 6.8566 k = 0.0921 0.5000-0.0000 ( 14520 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.2707 -9.2707 -8.6221 -8.6221 -6.7122 -6.7122 -2.4359 -2.4358 -1.7649 -1.7648 -0.7405 -0.7394 -0.3272 -0.3255 0.0906 0.0915 0.8811 0.8822 1.2694 1.2700 3.0846 3.0853 3.4593 3.4594 4.6846 4.6852 4.7498 4.7501 5.4668 5.4676 6.8923 6.8929 k = 0.1053 0.5000-0.0000 ( 14512 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.2585 -9.2585 -8.6189 -8.6189 -6.7295 -6.7295 -2.4245 -2.4244 -1.8223 -1.8221 -0.7299 -0.7289 -0.2657 -0.2639 0.0610 0.0620 0.8845 0.8856 1.2402 1.2409 3.0574 3.0582 3.4894 3.4896 4.6421 4.6428 4.7656 4.7659 5.5092 5.5100 6.9332 6.9339 k = 0.1184 0.5000-0.0000 ( 14504 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.2448 -9.2448 -8.6153 -8.6153 -6.7490 -6.7490 -2.4116 -2.4115 -1.8775 -1.8773 -0.7265 -0.7256 -0.1986 -0.1968 0.0279 0.0290 0.8887 0.8899 1.2096 1.2103 3.0262 3.0271 3.5241 3.5243 4.6032 4.6040 4.7826 4.7829 5.5482 5.5490 6.9785 6.9792 k = 0.1316 0.5000-0.0000 ( 14508 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.2294 -9.2294 -8.6114 -8.6114 -6.7708 -6.7708 -2.3974 -2.3972 -1.9299 -1.9298 -0.7289 -0.7281 -0.1285 -0.1268 -0.0083 -0.0072 0.8939 0.8951 1.1781 1.1789 2.9911 2.9920 3.5633 3.5636 4.5681 4.5690 4.8005 4.8009 5.5832 5.5840 7.0245 7.0254 k = 0.1447 0.5000-0.0000 ( 14502 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5719 -42.5719 -42.5719 -42.5719 -9.2125 -9.2125 -8.6071 -8.6071 -6.7948 -6.7948 -2.3817 -2.3815 -1.9793 -1.9791 -0.7360 -0.7353 -0.0576 -0.0558 -0.0474 -0.0463 0.9000 0.9013 1.1467 1.1476 2.9520 2.9530 3.6073 3.6076 4.5371 4.5381 4.8192 4.8196 5.6137 5.6145 7.0376 7.0385 k = 0.1579 0.5000-0.0000 ( 14498 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5719 -42.5719 -42.5719 -42.5719 -9.1941 -9.1941 -8.6026 -8.6026 -6.8209 -6.8209 -2.3646 -2.3645 -2.0253 -2.0251 -0.7472 -0.7466 -0.0892 -0.0881 0.0126 0.0143 0.9072 0.9085 1.1162 1.1172 2.9092 2.9103 3.6562 3.6565 4.5104 4.5115 4.8386 4.8390 5.6392 5.6399 7.0477 7.0486 k = 0.1711 0.5000-0.0000 ( 14500 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5719 -42.5719 -42.5719 -42.5719 -9.1741 -9.1741 -8.5978 -8.5978 -6.8492 -6.8492 -2.3462 -2.3461 -2.0676 -2.0674 -0.7621 -0.7616 -0.1334 -0.1322 0.0806 0.0823 0.9153 0.9167 1.0876 1.0885 2.8630 2.8641 3.7100 3.7103 4.4881 4.4892 4.8584 4.8589 5.6592 5.6599 7.0550 7.0557 k = 0.1842 0.5000-0.0000 ( 14504 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5719 -42.5719 -42.5719 -42.5719 -9.1527 -9.1527 -8.5928 -8.5928 -6.8795 -6.8794 -2.3266 -2.3264 -2.1060 -2.1059 -0.7805 -0.7801 -0.1796 -0.1784 0.1451 0.1468 0.9245 0.9258 1.0616 1.0626 2.8136 2.8148 3.7690 3.7693 4.4699 4.4711 4.8787 4.8792 5.6733 5.6739 7.0598 7.0605 k = 0.1974 0.5000-0.0000 ( 14510 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5719 -42.5719 -42.5719 -42.5719 -9.1299 -9.1299 -8.5875 -8.5875 -6.9117 -6.9117 -2.3056 -2.3054 -2.1406 -2.1404 -0.8023 -0.8019 -0.2275 -0.2263 0.2051 0.2067 0.9345 0.9359 1.0394 1.0404 2.7615 2.7627 3.8331 3.8334 4.4559 4.4572 4.8994 4.9000 5.6812 5.6818 7.0631 7.0637 k = 0.2105 0.5000-0.0000 ( 14498 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5719 -42.5719 -42.5719 -42.5719 -9.1057 -9.1057 -8.5821 -8.5821 -6.9459 -6.9459 -2.2835 -2.2832 -2.1710 -2.1709 -0.8273 -0.8270 -0.2768 -0.2756 0.2595 0.2610 0.9455 0.9469 1.0218 1.0228 2.7071 2.7083 3.9023 3.9027 4.4458 4.4471 4.9206 4.9212 5.6828 5.6833 7.0656 7.0661 k = 0.2237 0.5000-0.0000 ( 14514 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5719 -42.5719 -42.5719 -42.5719 -9.0801 -9.0801 -8.5766 -8.5766 -6.9818 -6.9818 -2.2601 -2.2599 -2.1974 -2.1973 -0.8556 -0.8553 -0.3273 -0.3261 0.3074 0.3088 0.9574 0.9587 1.0096 1.0105 2.6508 2.6521 3.9766 3.9770 4.4394 4.4407 4.9422 4.9429 5.6781 5.6785 7.0681 7.0686 k = 0.2368 0.5000-0.0000 ( 14524 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5719 -42.5719 -42.5719 -42.5719 -9.0532 -9.0532 -8.5710 -8.5709 -7.0194 -7.0194 -2.2357 -2.2355 -2.2196 -2.2195 -0.8870 -0.8868 -0.3786 -0.3775 0.3481 0.3495 0.9700 0.9714 1.0034 1.0043 2.5932 2.5944 4.0558 4.0561 4.4364 4.4377 4.9646 4.9653 5.6673 5.6676 7.0714 7.0717 k = 0.2500 0.5000-0.0000 ( 14512 PWs) bands (ev): -43.7486 -43.7486 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -9.0250 -9.0250 -8.5653 -8.5653 -7.0585 -7.0585 -2.2377 -2.2376 -2.2102 -2.2100 -0.9214 -0.9213 -0.4305 -0.4294 0.3814 0.3826 0.9834 0.9848 1.0035 1.0043 2.5345 2.5358 4.1394 4.1397 4.4365 4.4378 4.9878 4.9886 5.6506 5.6508 7.0757 7.0761 k = 0.2632 0.5000-0.0000 ( 14512 PWs) bands (ev): -43.7486 -43.7486 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -8.9957 -8.9957 -8.5595 -8.5595 -7.0990 -7.0990 -2.2517 -2.2516 -2.1838 -2.1835 -0.9588 -0.9586 -0.4827 -0.4816 0.4074 0.4085 0.9975 0.9988 1.0096 1.0103 2.4754 2.4767 4.2270 4.2273 4.4396 4.4409 5.0124 5.0133 5.6287 5.6287 7.0815 7.0818 k = 0.2763 0.5000-0.0000 ( 14508 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -8.9652 -8.9652 -8.5538 -8.5538 -7.1407 -7.1407 -2.2616 -2.2615 -2.1564 -2.1561 -0.9988 -0.9987 -0.5350 -0.5339 0.4268 0.4277 1.0122 1.0135 1.0210 1.0216 2.4162 2.4175 4.3178 4.3180 4.4454 4.4467 5.0390 5.0400 5.6019 5.6019 7.0888 7.0890 k = 0.2895 0.5000-0.0000 ( 14504 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -8.9338 -8.9338 -8.5482 -8.5482 -7.1835 -7.1835 -2.2675 -2.2674 -2.1283 -2.1279 -1.0414 -1.0413 -0.5872 -0.5861 0.4406 0.4413 1.0274 1.0288 1.0366 1.0371 2.3573 2.3586 4.4106 4.4107 4.4537 4.4550 5.0685 5.0696 5.5710 5.5711 7.0974 7.0975 k = 0.3026 0.5000-0.0000 ( 14516 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -8.9014 -8.9014 -8.5426 -8.5426 -7.2271 -7.2271 -2.2695 -2.2694 -2.0993 -2.0990 -1.0862 -1.0861 -0.6389 -0.6379 0.4500 0.4506 1.0432 1.0445 1.0552 1.0555 2.2991 2.3004 4.4642 4.4654 4.5037 4.5037 5.1024 5.1037 5.5366 5.5368 7.1071 7.1072 k = 0.3158 0.5000-0.0000 ( 14508 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -8.8682 -8.8682 -8.5372 -8.5372 -7.2714 -7.2714 -2.2676 -2.2676 -2.0698 -2.0695 -1.1330 -1.1329 -0.6901 -0.6891 0.4561 0.4566 1.0594 1.0607 1.0754 1.0756 2.2420 2.2432 4.4767 4.4780 4.5945 4.5946 5.1427 5.1441 5.4995 5.4998 7.1178 7.1179 k = 0.3289 0.5000-0.0000 ( 14494 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -8.8343 -8.8343 -8.5320 -8.5320 -7.3161 -7.3161 -2.2621 -2.2620 -2.0397 -2.0394 -1.1814 -1.1813 -0.7405 -0.7396 0.4600 0.4603 1.0759 1.0772 1.0963 1.0964 2.1863 2.1875 4.4911 4.4924 4.6798 4.6802 5.1922 5.1938 5.4603 5.4606 7.1253 7.1255 k = 0.3421 0.5000-0.0000 ( 14494 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.7999 -8.7999 -8.5270 -8.5270 -7.3609 -7.3609 -2.2529 -2.2528 -2.0093 -2.0089 -1.2311 -1.2310 -0.7899 -0.7890 0.4623 0.4626 1.0927 1.0940 1.1170 1.1170 2.1322 2.1334 4.5072 4.5084 4.7563 4.7567 5.2540 5.2558 5.4197 5.4200 7.0860 7.0861 k = 0.3553 0.5000-0.0000 ( 14500 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.7653 -8.7653 -8.5222 -8.5222 -7.4055 -7.4055 -2.2403 -2.2403 -1.9786 -1.9782 -1.2818 -1.2817 -0.8381 -0.8372 0.4638 0.4640 1.1097 1.1109 1.1369 1.1369 2.0803 2.0814 4.5249 4.5260 4.8210 4.8216 5.3303 5.3322 5.3781 5.3785 7.0499 7.0500 k = 0.3684 0.5000-0.0000 ( 14500 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.7306 -8.7306 -8.5177 -8.5177 -7.4496 -7.4496 -2.2245 -2.2244 -1.9479 -1.9475 -1.3330 -1.3330 -0.8848 -0.8839 0.4647 0.4648 1.1267 1.1279 1.1555 1.1556 2.0307 2.0318 4.5438 4.5450 4.8734 4.8739 5.3362 5.3366 5.4212 5.4231 7.0172 7.0173 k = 0.3816 0.5000-0.0000 ( 14500 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.6962 -8.6962 -8.5135 -8.5135 -7.4929 -7.4929 -2.2056 -2.2056 -1.9174 -1.9170 -1.3845 -1.3845 -0.9298 -0.9290 0.4653 0.4654 1.1436 1.1448 1.1726 1.1727 1.9837 1.9848 4.5639 4.5650 4.9144 4.9149 5.2944 5.2949 5.5247 5.5266 6.9880 6.9881 k = 0.3947 0.5000-0.0000 ( 14494 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.6625 -8.6625 -8.5097 -8.5097 -7.5347 -7.5347 -2.1839 -2.1839 -1.8874 -1.8871 -1.4358 -1.4358 -0.9727 -0.9720 0.4658 0.4659 1.1603 1.1614 1.1879 1.1881 1.9398 1.9408 4.5850 4.5860 4.9464 4.9469 5.2533 5.2538 5.6375 5.6394 6.9623 6.9625 k = 0.4079 0.5000-0.0000 ( 14478 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.6299 -8.6299 -8.5063 -8.5063 -7.5747 -7.5747 -2.1598 -2.1597 -1.8583 -1.8579 -1.4864 -1.4864 -1.0133 -1.0126 0.4662 0.4663 1.1765 1.1775 1.2015 1.2016 1.8992 1.9002 4.6067 4.6077 4.9714 4.9718 5.2134 5.2139 5.7565 5.7583 6.9404 6.9406 k = 0.4211 0.5000-0.0000 ( 14470 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5990 -8.5990 -8.5032 -8.5032 -7.6122 -7.6121 -2.1335 -2.1335 -1.8306 -1.8302 -1.5359 -1.5359 -1.0509 -1.0503 0.4667 0.4667 1.1919 1.1929 1.2133 1.2134 1.8624 1.8633 4.6287 4.6296 4.9910 4.9914 5.1753 5.1758 5.8783 5.8800 6.9226 6.9228 k = 0.4342 0.5000-0.0000 ( 14462 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5704 -8.5704 -8.5006 -8.5006 -7.6463 -7.6463 -2.1058 -2.1058 -1.8047 -1.8044 -1.5834 -1.5834 -1.0850 -1.0845 0.4671 0.4671 1.2063 1.2071 1.2231 1.2232 1.8298 1.8306 4.6504 4.6513 5.0064 5.0067 5.1396 5.1401 5.9995 6.0011 6.9092 6.9094 k = 0.4474 0.5000-0.0000 ( 14462 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5451 -8.5451 -8.4984 -8.4984 -7.6763 -7.6763 -2.0774 -2.0774 -1.7816 -1.7813 -1.6282 -1.6282 -1.1150 -1.1145 0.4675 0.4675 1.2191 1.2198 1.2312 1.2312 1.8020 1.8027 4.6713 4.6720 5.0183 5.0185 5.1072 5.1077 6.1162 6.1177 6.9009 6.9012 k = 0.4605 0.5000-0.0000 ( 14472 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5240 -8.5240 -8.4967 -8.4967 -7.7011 -7.7011 -2.0498 -2.0497 -1.7620 -1.7618 -1.6686 -1.6686 -1.1398 -1.1394 0.4679 0.4679 1.2299 1.2305 1.2374 1.2374 1.7795 1.7801 4.6901 4.6908 5.0272 5.0273 5.0793 5.0797 6.2228 6.2240 6.8987 6.8991 k = 0.4737 0.5000-0.0000 ( 14476 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5080 -8.5080 -8.4955 -8.4955 -7.7197 -7.7197 -2.0252 -2.0252 -1.7470 -1.7468 -1.7023 -1.7023 -1.1585 -1.1582 0.4681 0.4682 1.2381 1.2386 1.2418 1.2418 1.7629 1.7633 4.7056 4.7061 5.0334 5.0335 5.0573 5.0576 6.3114 6.3123 6.9033 6.9036 k = 0.4868 0.5000-0.0000 ( 14472 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4979 -8.4979 -8.4948 -8.4948 -7.7314 -7.7314 -2.0074 -2.0074 -1.7375 -1.7374 -1.7257 -1.7257 -1.1701 -1.1700 0.4683 0.4683 1.2433 1.2435 1.2445 1.2445 1.7528 1.7530 4.7160 4.7163 5.0370 5.0370 5.0431 5.0433 6.3716 6.3721 6.9124 6.9127 k = 0.5000 0.5000-0.0000 ( 14476 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4946 -8.4946 -8.4945 -8.4945 -7.7353 -7.7353 -2.0007 -2.0007 -1.7343 -1.7343 -1.7341 -1.7341 -1.1741 -1.1741 0.4684 0.4684 1.2449 1.2449 1.2456 1.2456 1.7494 1.7494 4.7198 4.7198 5.0380 5.0380 5.0384 5.0384 6.3933 6.3933 6.9179 6.9179 k = 0.5000 0.5000-0.0000 ( 14476 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4946 -8.4946 -8.4945 -8.4945 -7.7353 -7.7353 -2.0007 -2.0007 -1.7343 -1.7343 -1.7341 -1.7341 -1.1741 -1.1741 0.4684 0.4684 1.2449 1.2449 1.2456 1.2456 1.7494 1.7494 4.7198 4.7198 5.0380 5.0380 5.0384 5.0384 6.3933 6.3933 6.9179 6.9179 k = 0.4907 0.4907-0.0000 ( 14476 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4983 -8.4983 -8.4944 -8.4944 -7.7314 -7.7314 -2.0073 -2.0073 -1.7367 -1.7365 -1.7265 -1.7265 -1.1702 -1.1700 0.4683 0.4683 1.2432 1.2434 1.2446 1.2446 1.7527 1.7529 4.7161 4.7163 5.0369 5.0370 5.0431 5.0433 6.3719 6.3724 6.9117 6.9120 k = 0.4815 0.4815-0.0000 ( 14472 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5094 -8.5094 -8.4939 -8.4939 -7.7199 -7.7199 -2.0254 -2.0254 -1.7437 -1.7434 -1.7055 -1.7054 -1.1586 -1.1583 0.4681 0.4681 1.2377 1.2381 1.2424 1.2424 1.7628 1.7631 4.7058 4.7063 5.0332 5.0332 5.0573 5.0576 6.3139 6.3147 6.8943 6.8949 k = 0.4722 0.4722-0.0000 ( 14460 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5272 -8.5272 -8.4932 -8.4932 -7.7014 -7.7014 -2.0508 -2.0508 -1.7547 -1.7543 -1.6750 -1.6749 -1.1399 -1.1395 0.4679 0.4679 1.2290 1.2296 1.2388 1.2388 1.7791 1.7796 4.6907 4.6913 5.0268 5.0269 5.0789 5.0794 6.2302 6.2314 6.8679 6.8687 k = 0.4630 0.4630-0.0000 ( 14460 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5508 -8.5508 -8.4922 -8.4922 -7.6769 -7.6769 -2.0805 -2.0805 -1.7689 -1.7685 -1.6384 -1.6382 -1.1150 -1.1145 0.4675 0.4675 1.2176 1.2183 1.2339 1.2340 1.8011 1.8018 4.6725 4.6733 5.0178 5.0179 5.1060 5.1066 6.1311 6.1324 6.8348 6.8357 k = 0.4537 0.4537-0.0000 ( 14474 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5791 -8.5791 -8.4909 -8.4909 -7.6472 -7.6472 -2.1121 -2.1121 -1.7855 -1.7850 -1.5976 -1.5974 -1.0849 -1.0844 0.4669 0.4670 1.2040 1.2048 1.2279 1.2280 1.8281 1.8289 4.6527 4.6536 5.0059 5.0060 5.1368 5.1374 6.0231 6.0246 6.7967 6.7977 k = 0.4444 0.4444-0.0000 ( 14472 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.6114 -8.6114 -8.4893 -8.4893 -7.6134 -7.6134 -2.1445 -2.1444 -1.8037 -1.8030 -1.5541 -1.5539 -1.0505 -1.0498 0.4663 0.4663 1.1889 1.1898 1.2210 1.2211 1.8595 1.8604 4.6323 4.6332 4.9908 4.9909 5.1697 5.1703 5.9110 5.9126 6.7550 6.7560 k = 0.4352 0.4352-0.0000 ( 14474 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.6467 -8.6467 -8.4875 -8.4875 -7.5763 -7.5762 -2.1768 -2.1768 -1.8227 -1.8221 -1.5086 -1.5083 -1.0125 -1.0118 0.4656 0.4656 1.1725 1.1735 1.2135 1.2136 1.8947 1.8957 4.6120 4.6130 4.9718 4.9720 5.2036 5.2042 5.7979 5.7995 6.7107 6.7116 k = 0.4259 0.4259-0.0000 ( 14474 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.6844 -8.6844 -8.4854 -8.4854 -7.5364 -7.5364 -2.2086 -2.2086 -1.8422 -1.8415 -1.4615 -1.4612 -0.9718 -0.9711 0.4648 0.4648 1.1552 1.1562 1.2055 1.2056 1.9332 1.9342 4.5922 4.5932 4.9481 4.9484 5.2374 5.2381 5.6867 5.6884 6.6643 6.6652 k = 0.4167 0.4167-0.0000 ( 14472 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.7238 -8.7238 -8.4830 -8.4830 -7.4945 -7.4945 -2.2396 -2.2395 -1.8617 -1.8609 -1.4131 -1.4128 -0.9290 -0.9283 0.4638 0.4639 1.1372 1.1383 1.1976 1.1977 1.9746 1.9756 4.5732 4.5742 4.9182 4.9184 5.2704 5.2710 5.5803 5.5820 6.6166 6.6174 k = 0.4074 0.4074-0.0000 ( 14496 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.7646 -8.7645 -8.4805 -8.4804 -7.4510 -7.4510 -2.2694 -2.2693 -1.8808 -1.8800 -1.3638 -1.3635 -0.8847 -0.8840 0.4627 0.4627 1.1186 1.1197 1.1900 1.1901 2.0185 2.0196 4.5550 4.5560 4.8797 4.8799 5.3015 5.3022 5.4820 5.4837 6.5679 6.5687 k = 0.3981 0.3981-0.0000 ( 14514 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.8063 -8.8062 -8.4776 -8.4776 -7.4061 -7.4061 -2.2979 -2.2978 -1.8994 -1.8986 -1.3136 -1.3132 -0.8396 -0.8388 0.4613 0.4614 1.0995 1.1005 1.1833 1.1834 2.0646 2.0657 4.5377 4.5387 4.8302 4.8303 5.3302 5.3308 5.3953 5.3970 6.5187 6.5194 k = 0.3889 0.3889-0.0000 ( 14514 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.8486 -8.8486 -8.4746 -8.4746 -7.3603 -7.3603 -2.3250 -2.3249 -1.9172 -1.9164 -1.2626 -1.2622 -0.7940 -0.7932 0.4595 0.4597 1.0797 1.0808 1.1781 1.1782 2.1126 2.1137 4.5213 4.5223 4.7675 4.7675 5.3232 5.3249 5.3557 5.3563 6.4694 6.4701 k = 0.3796 0.3796-0.0000 ( 14492 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.8913 -8.8913 -8.4714 -8.4713 -7.3138 -7.3138 -2.3505 -2.3504 -1.9342 -1.9333 -1.2110 -1.2106 -0.7487 -0.7479 0.4574 0.4576 1.0593 1.0604 1.1749 1.1750 2.1622 2.1633 4.5056 4.5066 4.6907 4.6910 5.2672 5.2687 5.3772 5.3778 6.4204 6.4210 k = 0.3704 0.3704-0.0000 ( 14498 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.9342 -8.9342 -8.4680 -8.4679 -7.2667 -7.2667 -2.3744 -2.3742 -1.9502 -1.9493 -1.1588 -1.1583 -0.7041 -0.7033 0.4547 0.4549 1.0381 1.0392 1.1745 1.1745 2.2133 2.2144 4.4906 4.4916 4.6017 4.6021 5.2264 5.2277 5.3943 5.3949 6.3720 6.3725 k = 0.3611 0.3611-0.0000 ( 14482 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.9772 -8.9771 -8.4644 -8.4643 -7.2192 -7.2192 -2.3965 -2.3963 -1.9652 -1.9643 -1.1061 -1.1056 -0.6609 -0.6600 0.4512 0.4515 1.0160 1.0171 1.1774 1.1775 2.2656 2.2667 4.4760 4.4769 4.5033 4.5039 5.1984 5.1995 5.4064 5.4070 6.3248 6.3252 k = 0.3519 0.3519-0.0000 ( 14488 PWs) bands (ev): -43.7486 -43.7486 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -9.0200 -9.0199 -8.4606 -8.4606 -7.1715 -7.1715 -2.4167 -2.4165 -1.9790 -1.9782 -1.0530 -1.0525 -0.6195 -0.6186 0.4469 0.4472 0.9928 0.9938 1.1846 1.1846 2.3189 2.3200 4.3986 4.3993 4.4617 4.4626 5.1809 5.1819 5.4132 5.4138 6.2791 6.2795 k = 0.3426 0.3426-0.0000 ( 14496 PWs) bands (ev): -43.7486 -43.7486 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -9.0625 -9.0625 -8.4567 -8.4567 -7.1237 -7.1236 -2.4350 -2.4349 -1.9918 -1.9909 -0.9994 -0.9989 -0.5805 -0.5796 0.4416 0.4419 0.9683 0.9693 1.1965 1.1966 2.3731 2.3741 4.2900 4.2909 4.4473 4.4482 5.1720 5.1729 5.4145 5.4150 6.2354 6.2358 k = 0.3333 0.3333-0.0000 ( 14504 PWs) bands (ev): -43.7486 -43.7486 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -9.1047 -9.1047 -8.4527 -8.4527 -7.0758 -7.0758 -2.4514 -2.4512 -2.0034 -2.0025 -0.9456 -0.9450 -0.5444 -0.5436 0.4352 0.4355 0.9423 0.9433 1.2140 1.2141 2.4279 2.4290 4.1795 4.1806 4.4328 4.4336 5.1703 5.1710 5.4099 5.4104 6.1943 6.1947 k = 0.3241 0.3241-0.0000 ( 14492 PWs) bands (ev): -43.7486 -43.7486 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -9.1464 -9.1464 -8.4486 -8.4485 -7.0281 -7.0280 -2.4657 -2.4655 -2.0139 -2.0129 -0.8914 -0.8908 -0.5118 -0.5109 0.4277 0.4280 0.9146 0.9155 1.2375 1.2376 2.4833 2.4843 4.0685 4.0697 4.4177 4.4184 5.1749 5.1756 5.3997 5.4001 6.1562 6.1565 k = 0.3148 0.3148-0.0000 ( 14488 PWs) bands (ev): -43.7486 -43.7486 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -9.1876 -9.1876 -8.4444 -8.4443 -6.9805 -6.9804 -2.4778 -2.4776 -2.0231 -2.0222 -0.8370 -0.8363 -0.4831 -0.4822 0.4191 0.4194 0.8849 0.8859 1.2675 1.2676 2.5391 2.5401 3.9579 3.9592 4.4017 4.4024 5.1853 5.1859 5.3839 5.3842 6.1214 6.1217 k = 0.3056 0.3056-0.0000 ( 14490 PWs) bands (ev): -43.7486 -43.7486 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -9.2281 -9.2281 -8.4401 -8.4400 -6.9331 -6.9330 -2.4878 -2.4876 -2.0312 -2.0303 -0.7823 -0.7817 -0.4586 -0.4577 0.4098 0.4101 0.8531 0.8540 1.3041 1.3042 2.5953 2.5963 3.8485 3.8498 4.3844 4.3851 5.2011 5.2017 5.3629 5.3631 6.0902 6.0905 k = 0.2963 0.2963-0.0000 ( 14494 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5719 -42.5719 -42.5719 -9.2680 -9.2680 -8.4358 -8.4357 -6.8861 -6.8860 -2.4956 -2.4954 -2.0381 -2.0372 -0.7275 -0.7268 -0.4388 -0.4379 0.4000 0.4002 0.8190 0.8198 1.3474 1.3475 2.6517 2.6526 3.7408 3.7422 4.3656 4.3661 5.2222 5.2227 5.3374 5.3375 6.0628 6.0630 k = 0.2870 0.2870-0.0000 ( 14484 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3071 -9.3071 -8.4314 -8.4313 -6.8394 -6.8393 -2.5012 -2.5010 -2.0438 -2.0428 -0.6725 -0.6718 -0.4239 -0.4229 0.3901 0.3902 0.7823 0.7831 1.3973 1.3974 2.7083 2.7092 3.6353 3.6368 4.3447 4.3452 5.2482 5.2487 5.3080 5.3081 6.0390 6.0392 k = 0.2778 0.2778-0.0000 ( 14474 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3454 -9.3454 -8.4270 -8.4269 -6.7932 -6.7931 -2.5044 -2.5042 -2.0483 -2.0473 -0.6175 -0.6168 -0.4140 -0.4130 0.3804 0.3805 0.7429 0.7437 1.4535 1.4536 2.7650 2.7659 3.5324 3.5339 4.3215 4.3218 5.2756 5.2758 5.2792 5.2796 6.0188 6.0190 k = 0.2685 0.2685-0.0000 ( 14482 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3829 -9.3829 -8.4226 -8.4226 -6.7475 -6.7475 -2.5053 -2.5051 -2.0516 -2.0506 -0.5625 -0.5617 -0.4093 -0.4082 0.3715 0.3715 0.7007 0.7014 1.5158 1.5159 2.8219 2.8228 3.4322 3.4338 4.2954 4.2956 5.2412 5.2415 5.3146 5.3150 6.0020 6.0021 k = 0.2593 0.2593-0.0000 ( 14482 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.4195 -9.4194 -8.4182 -8.4182 -6.7024 -6.7024 -2.5039 -2.5037 -2.0537 -2.0527 -0.5074 -0.5066 -0.4098 -0.4087 0.3637 0.3637 0.6555 0.6562 1.5837 1.5837 2.8789 2.8797 3.3352 3.3369 4.2662 4.2663 5.2057 5.2062 5.3545 5.3548 5.9883 5.9883 k = 0.2500 0.2500-0.0000 ( 14470 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.4551 -9.4550 -8.4139 -8.4138 -6.6580 -6.6579 -2.5000 -2.4998 -2.0546 -2.0536 -0.4524 -0.4516 -0.4155 -0.4143 0.3574 0.3575 0.6073 0.6079 1.6567 1.6567 2.9360 2.9367 3.2416 3.2433 4.2335 4.2336 5.1700 5.1705 5.3984 5.3988 5.9773 5.9773 k = 0.2407 0.2407-0.0000 ( 14480 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.4897 -9.4896 -8.4096 -8.4095 -6.6143 -6.6142 -2.4937 -2.4935 -2.0542 -2.0532 -0.4262 -0.4250 -0.3976 -0.3967 0.3529 0.3531 0.5560 0.5566 1.7343 1.7343 2.9926 2.9932 3.1521 3.1537 4.1971 4.1973 5.1346 5.1354 5.4461 5.4464 5.9689 5.9690 k = 0.2315 0.2315-0.0000 ( 14494 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.5232 -9.5232 -8.4053 -8.4053 -6.5714 -6.5713 -2.4850 -2.4848 -2.0527 -2.0517 -0.4416 -0.4403 -0.3429 -0.3421 0.3505 0.3507 0.5018 0.5023 1.8159 1.8160 3.0376 3.0382 3.0784 3.0788 4.1569 4.1573 5.1003 5.1012 5.4971 5.4974 5.9628 5.9629 k = 0.2222 0.2222-0.0000 ( 14502 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.5558 -9.5557 -8.4012 -8.4011 -6.5293 -6.5292 -2.4739 -2.4737 -2.0499 -2.0489 -0.4614 -0.4602 -0.2886 -0.2876 0.3502 0.3505 0.4445 0.4450 1.9012 1.9013 2.9754 2.9773 3.1144 3.1152 4.1131 4.1136 5.0673 5.0683 5.5509 5.5512 5.9588 5.9588 k = 0.2130 0.2130-0.0000 ( 14506 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.5872 -9.5872 -8.3971 -8.3970 -6.4882 -6.4881 -2.4603 -2.4600 -2.0459 -2.0449 -0.4854 -0.4841 -0.2345 -0.2336 0.3520 0.3524 0.3845 0.3849 1.9896 1.9897 2.8964 2.8983 3.1719 3.1726 4.0659 4.0664 5.0359 5.0370 5.6071 5.6073 5.9566 5.9567 k = 0.2037 0.2037-0.0000 ( 14506 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.6175 -9.6174 -8.3931 -8.3931 -6.4480 -6.4480 -2.4442 -2.4440 -2.0406 -2.0396 -0.5130 -0.5117 -0.1809 -0.1799 0.3216 0.3221 0.3560 0.3565 2.0807 2.0808 2.8198 2.8217 3.2310 3.2316 4.0154 4.0160 5.0060 5.0072 5.6649 5.6651 5.9561 5.9561 k = 0.1944 0.1944-0.0000 ( 14510 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.6466 -9.6466 -8.3893 -8.3892 -6.4090 -6.4089 -2.4257 -2.4254 -2.0341 -2.0331 -0.5439 -0.5426 -0.1279 -0.1269 0.2564 0.2568 0.3621 0.3626 2.1739 2.1741 2.7464 2.7483 3.2908 3.2913 3.9622 3.9629 4.9776 4.9788 5.7237 5.7238 5.9570 5.9571 k = 0.1852 0.1852-0.0000 ( 14506 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.6745 -9.6745 -8.3855 -8.3854 -6.3710 -6.3710 -2.4047 -2.4045 -2.0263 -2.0253 -0.5777 -0.5764 -0.0757 -0.0746 0.1890 0.1895 0.3700 0.3705 2.2689 2.2690 2.6763 2.6782 3.3513 3.3518 3.9067 3.9075 4.9503 4.9516 5.7825 5.7827 5.9592 5.9593 k = 0.1759 0.1759-0.0000 ( 14496 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.7013 -9.7012 -8.3819 -8.3818 -6.3343 -6.3343 -2.3813 -2.3811 -2.0173 -2.0162 -0.6138 -0.6125 -0.0249 -0.0236 0.1202 0.1208 0.3796 0.3802 2.3651 2.3653 2.6094 2.6112 3.4124 3.4129 3.8495 3.8503 4.9240 4.9253 5.8406 5.8407 5.9626 5.9627 k = 0.1667 0.1667-0.0000 ( 14500 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.7267 -9.7267 -8.3784 -8.3784 -6.2989 -6.2989 -2.3555 -2.3553 -2.0069 -2.0059 -0.6520 -0.6507 0.0163 0.0180 0.0581 0.0591 0.3908 0.3914 2.4621 2.4623 2.5456 2.5474 3.4741 3.4746 3.7911 3.7919 4.8981 4.8995 5.8968 5.8968 5.9670 5.9671 k = 0.1574 0.1574-0.0000 ( 14492 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.7510 -9.7510 -8.3751 -8.3751 -6.2649 -6.2648 -2.3274 -2.3272 -1.9954 -1.9943 -0.6919 -0.6906 -0.0304 -0.0302 0.0829 0.0834 0.4033 0.4039 2.4849 2.4867 2.5596 2.5598 3.5364 3.5368 3.7322 3.7330 4.8725 4.8738 5.9499 5.9499 5.9722 5.9723 k = 0.1481 0.1481-0.0000 ( 14500 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.7739 -9.7739 -8.3720 -8.3719 -6.2323 -6.2322 -2.2970 -2.2968 -1.9825 -1.9815 -0.7330 -0.7317 -0.1031 -0.1031 0.1303 0.1311 0.4171 0.4176 2.4272 2.4290 2.6570 2.6572 3.5991 3.5994 3.6733 3.6742 4.8467 4.8480 5.9780 5.9780 5.9988 5.9988 k = 0.1389 0.1389-0.0000 ( 14500 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.7956 -9.7956 -8.3690 -8.3689 -6.2012 -6.2011 -2.2643 -2.2641 -1.9684 -1.9674 -0.7751 -0.7738 -0.1780 -0.1780 0.1779 0.1787 0.4318 0.4323 2.3724 2.3742 2.7538 2.7540 3.6152 3.6161 3.6621 3.6624 4.8204 4.8217 5.9844 5.9845 6.0418 6.0419 k = 0.1296 0.1296-0.0000 ( 14496 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.8159 -9.8159 -8.3661 -8.3661 -6.1717 -6.1716 -2.2295 -2.2293 -1.9532 -1.9521 -0.8179 -0.8166 -0.2538 -0.2537 0.2244 0.2253 0.4472 0.4478 2.3205 2.3223 2.8494 2.8496 3.5586 3.5596 3.7252 3.7254 4.7933 4.7945 5.9912 5.9913 6.0777 6.0779 k = 0.1204 0.1204-0.0000 ( 14504 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.8349 -9.8349 -8.3635 -8.3635 -6.1439 -6.1438 -2.1926 -2.1924 -1.9367 -1.9357 -0.8610 -0.8597 -0.3299 -0.3299 0.2696 0.2704 0.4632 0.4637 2.2715 2.2732 2.9429 2.9431 3.5046 3.5055 3.7882 3.7884 4.7650 4.7663 5.9983 5.9983 6.1053 6.1054 k = 0.1111 0.1111-0.0000 ( 14504 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.8526 -9.8526 -8.3610 -8.3610 -6.1178 -6.1177 -2.1537 -2.1535 -1.9192 -1.9181 -0.9041 -0.9029 -0.4060 -0.4060 0.3131 0.3139 0.4795 0.4800 2.2254 2.2270 3.0328 3.0330 3.4547 3.4556 3.8508 3.8510 4.7354 4.7367 6.0054 6.0055 6.1235 6.1237 k = 0.1019 0.1019-0.0000 ( 14494 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.8689 -9.8689 -8.3588 -8.3587 -6.0935 -6.0934 -2.1132 -2.1130 -1.9006 -1.8996 -0.9470 -0.9458 -0.4817 -0.4817 0.3547 0.3556 0.4958 0.4963 2.1821 2.1836 3.1158 3.1159 3.4124 3.4134 3.9127 3.9128 4.7044 4.7055 6.0126 6.0126 6.1319 6.1321 k = 0.0926 0.0926-0.0000 ( 14486 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.8838 -9.8838 -8.3567 -8.3566 -6.0710 -6.0710 -2.0710 -2.0708 -1.8811 -1.8802 -0.9893 -0.9882 -0.5566 -0.5565 0.3942 0.3950 0.5120 0.5125 2.1417 2.1432 3.1821 3.1822 3.3874 3.3885 3.9734 3.9735 4.6716 4.6727 6.0196 6.0197 6.1307 6.1309 k = 0.0833 0.0833-0.0000 ( 14494 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.8973 -9.8973 -8.3548 -8.3547 -6.0505 -6.0505 -2.0276 -2.0274 -1.8610 -1.8600 -1.0307 -1.0296 -0.6301 -0.6300 0.4313 0.4321 0.5278 0.5282 2.1044 2.1057 3.2105 3.2105 3.4012 3.4023 4.0324 4.0325 4.6371 4.6382 6.0264 6.0264 6.1207 6.1210 k = 0.0741 0.0741-0.0000 ( 14490 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.9094 -9.9094 -8.3531 -8.3531 -6.0320 -6.0320 -1.9833 -1.9832 -1.8403 -1.8393 -1.0707 -1.0696 -0.7017 -0.7017 0.4658 0.4665 0.5428 0.5432 2.0702 2.0714 3.1991 3.1993 3.4554 3.4563 4.0891 4.0892 4.6010 4.6020 6.0328 6.0328 6.1035 6.1037 k = 0.0648 0.0648-0.0000 ( 14507 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9202 -9.9202 -8.3516 -8.3516 -6.0155 -6.0155 -1.9386 -1.9385 -1.8194 -1.8185 -1.1090 -1.1080 -0.7709 -0.7708 0.4973 0.4980 0.5569 0.5573 2.0393 2.0404 3.1726 3.1728 3.5253 3.5261 4.1427 4.1427 4.5634 4.5643 6.0387 6.0387 6.0809 6.0811 k = 0.0556 0.0556-0.0000 ( 14519 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5720 -42.5720 -9.9295 -9.9295 -8.3503 -8.3502 -6.0012 -6.0011 -1.8943 -1.8941 -1.7987 -1.7979 -1.1450 -1.1440 -0.8367 -0.8366 0.5255 0.5261 0.5698 0.5701 2.0118 2.0128 3.1438 3.1440 3.5978 3.5985 4.1923 4.1924 4.5246 4.5255 6.0440 6.0440 6.0552 6.0554 k = 0.0463 0.0463-0.0000 ( 14515 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5720 -42.5720 -9.9374 -9.9374 -8.3492 -8.3491 -5.9889 -5.9889 -1.8512 -1.8511 -1.7788 -1.7781 -1.1780 -1.1771 -0.8981 -0.8981 0.5501 0.5506 0.5812 0.5815 1.9881 1.9890 3.1169 3.1171 3.6679 3.6685 4.2371 4.2371 4.4853 4.4861 6.0283 6.0285 6.0488 6.0488 k = 0.0370 0.0370-0.0000 ( 14515 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5720 -42.5720 -9.9438 -9.9438 -8.3483 -8.3482 -5.9789 -5.9788 -1.8108 -1.8107 -1.7604 -1.7597 -1.2072 -1.2065 -0.9536 -0.9536 0.5707 0.5712 0.5910 0.5911 1.9683 1.9690 3.0937 3.0938 3.7329 3.7334 4.2758 4.2758 4.4466 4.4473 6.0028 6.0030 6.0527 6.0527 k = 0.0278 0.0278-0.0000 ( 14521 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5720 -42.5720 -9.9489 -9.9489 -8.3475 -8.3475 -5.9710 -5.9710 -1.7750 -1.7749 -1.7444 -1.7438 -1.2317 -1.2311 -1.0013 -1.0012 0.5872 0.5875 0.5988 0.5989 1.9526 1.9532 3.0750 3.0751 3.7902 3.7907 4.3075 4.3075 4.4104 4.4110 5.9805 5.9806 6.0558 6.0559 k = 0.0185 0.0185-0.0000 ( 14511 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9525 -9.9525 -8.3470 -8.3470 -5.9654 -5.9653 -1.7463 -1.7462 -1.7317 -1.7313 -1.2503 -1.2499 -1.0385 -1.0385 0.5991 0.5993 0.6046 0.6047 1.9413 1.9417 3.0614 3.0615 3.8364 3.8368 4.3310 4.3310 4.3795 4.3800 5.9632 5.9632 6.0581 6.0581 k = 0.0093 0.0093-0.0000 ( 14503 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9546 -9.9546 -8.3467 -8.3467 -5.9620 -5.9620 -1.7274 -1.7273 -1.7235 -1.7233 -1.2620 -1.2618 -1.0625 -1.0625 0.6060 0.6062 0.6084 0.6084 1.9345 1.9347 3.0531 3.0531 3.8672 3.8674 4.3454 4.3454 4.3582 4.3584 5.9522 5.9522 6.0595 6.0595 k = 0.0000 0.0000 0.0000 ( 14499 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5720 -42.5720 -9.9554 -9.9554 -8.3466 -8.3466 -5.9608 -5.9608 -1.7212 -1.7212 -1.7201 -1.7201 -1.2659 -1.2659 -1.0709 -1.0709 0.6081 0.6081 0.6100 0.6100 1.9323 1.9323 3.0503 3.0503 3.8782 3.8782 4.3495 4.3495 4.3513 4.3513 5.9484 5.9484 6.0600 6.0600 k = 0.0000 0.0000 0.0000 ( 14499 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5720 -42.5720 -9.9554 -9.9554 -8.3466 -8.3466 -5.9608 -5.9608 -1.7212 -1.7212 -1.7201 -1.7201 -1.2659 -1.2659 -1.0709 -1.0709 0.6081 0.6081 0.6100 0.6100 1.9323 1.9323 3.0503 3.0503 3.8782 3.8782 4.3495 4.3495 4.3513 4.3513 5.9484 5.9484 6.0600 6.0600 k = 0.0000 0.0000 0.0127 ( 14499 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9553 -9.9553 -8.3467 -8.3467 -5.9608 -5.9608 -1.7211 -1.7211 -1.7201 -1.7201 -1.2674 -1.2674 -1.0684 -1.0684 0.6078 0.6078 0.6097 0.6097 1.9265 1.9265 3.0567 3.0567 3.8782 3.8782 4.3502 4.3502 4.3519 4.3519 5.9380 5.9380 6.0663 6.0663 k = 0.0000 0.0000 0.0253 ( 14519 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5720 -42.5720 -9.9553 -9.9553 -8.3470 -8.3470 -5.9606 -5.9606 -1.7209 -1.7209 -1.7198 -1.7198 -1.2716 -1.2716 -1.0612 -1.0612 0.6068 0.6068 0.6088 0.6088 1.9097 1.9097 3.0754 3.0754 3.8782 3.8782 4.3523 4.3523 4.3540 4.3540 5.9117 5.9117 6.0803 6.0803 k = 0.0000 0.0000 0.0380 ( 14507 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9551 -9.9551 -8.3474 -8.3474 -5.9602 -5.9602 -1.7205 -1.7205 -1.7194 -1.7194 -1.2780 -1.2780 -1.0498 -1.0498 0.6053 0.6053 0.6073 0.6073 1.8828 1.8828 3.1053 3.1053 3.8782 3.8782 4.3556 4.3556 4.3574 4.3574 5.8762 5.8762 6.0957 6.0957 k = 0.0000 0.0000 0.0507 ( 14507 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9550 -9.9550 -8.3479 -8.3479 -5.9597 -5.9597 -1.7200 -1.7200 -1.7189 -1.7189 -1.2859 -1.2859 -1.0351 -1.0351 0.6032 0.6032 0.6051 0.6051 1.8476 1.8476 3.1449 3.1449 3.8783 3.8783 4.3602 4.3602 4.3620 4.3620 5.8347 5.8347 6.1092 6.1092 k = 0.0000 0.0000 0.0633 ( 14491 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9548 -9.9548 -8.3486 -8.3486 -5.9591 -5.9591 -1.7193 -1.7193 -1.7183 -1.7183 -1.2947 -1.2947 -1.0175 -1.0175 0.6005 0.6005 0.6025 0.6025 1.8057 1.8057 3.1927 3.1927 3.8783 3.8783 4.3660 4.3660 4.3678 4.3678 5.7886 5.7886 6.1200 6.1200 k = 0.0000 0.0000 0.0760 ( 14491 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9546 -9.9546 -8.3495 -8.3495 -5.9584 -5.9584 -1.7186 -1.7186 -1.7175 -1.7175 -1.3039 -1.3039 -0.9979 -0.9979 0.5974 0.5974 0.5994 0.5994 1.7587 1.7587 3.2470 3.2470 3.8784 3.8784 4.3729 4.3729 4.3747 4.3747 5.7389 5.7389 6.1275 6.1275 k = 0.0000 0.0000 0.0886 ( 14487 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9543 -9.9543 -8.3504 -8.3504 -5.9577 -5.9577 -1.7177 -1.7177 -1.7166 -1.7166 -1.3131 -1.3131 -0.9765 -0.9765 0.5939 0.5939 0.5958 0.5958 1.7081 1.7081 3.3066 3.3066 3.8784 3.8784 4.3807 4.3807 4.3826 4.3826 5.6860 5.6860 6.1318 6.1318 k = 0.0000 0.0000 0.1013 ( 14503 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9540 -9.9540 -8.3515 -8.3515 -5.9568 -5.9568 -1.7167 -1.7167 -1.7156 -1.7156 -1.3222 -1.3222 -0.9537 -0.9537 0.5900 0.5900 0.5919 0.5919 1.6551 1.6551 3.3703 3.3703 3.8785 3.8785 4.3894 4.3894 4.3913 4.3913 5.6303 5.6303 6.1331 6.1331 k = 0.0000 0.0000 0.1140 ( 14511 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9537 -9.9537 -8.3526 -8.3526 -5.9558 -5.9558 -1.7157 -1.7157 -1.7146 -1.7146 -1.3310 -1.3310 -0.9300 -0.9300 0.5858 0.5858 0.5878 0.5878 1.6008 1.6008 3.4374 3.4374 3.8785 3.8785 4.3987 4.3987 4.4006 4.4006 5.5720 5.5720 6.1316 6.1316 k = 0.0000 0.0000 0.1266 ( 14515 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9534 -9.9534 -8.3537 -8.3537 -5.9549 -5.9549 -1.7146 -1.7146 -1.7135 -1.7135 -1.3393 -1.3393 -0.9056 -0.9056 0.5814 0.5814 0.5834 0.5834 1.5461 1.5461 3.5069 3.5069 3.8786 3.8786 4.4084 4.4084 4.4104 4.4104 5.5115 5.5115 6.1279 6.1279 k = 0.0000 0.0000 0.1393 ( 14531 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9530 -9.9530 -8.3550 -8.3550 -5.9539 -5.9539 -1.7134 -1.7134 -1.7124 -1.7124 -1.3471 -1.3471 -0.8808 -0.8808 0.5769 0.5769 0.5789 0.5789 1.4918 1.4918 3.5785 3.5785 3.8786 3.8786 4.4185 4.4185 4.4206 4.4206 5.4491 5.4491 6.1223 6.1223 k = 0.0000 0.0000 0.1520 ( 14511 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9527 -9.9527 -8.3562 -8.3562 -5.9528 -5.9528 -1.7123 -1.7123 -1.7112 -1.7112 -1.3543 -1.3543 -0.8559 -0.8559 0.5724 0.5724 0.5744 0.5744 1.4386 1.4386 3.6515 3.6515 3.8787 3.8787 4.4287 4.4287 4.4309 4.4309 5.3848 5.3848 6.1153 6.1153 k = 0.0000 0.0000 0.1646 ( 14527 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9524 -9.9524 -8.3574 -8.3574 -5.9518 -5.9518 -1.7111 -1.7111 -1.7101 -1.7101 -1.3609 -1.3609 -0.8312 -0.8312 0.5679 0.5679 0.5699 0.5699 1.3872 1.3872 3.7256 3.7256 3.8788 3.8788 4.4389 4.4389 4.4411 4.4411 5.3191 5.3191 6.1072 6.1072 k = 0.0000 0.0000 0.1773 ( 14543 PWs) bands (ev): -43.7490 -43.7490 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9520 -9.9520 -8.3585 -8.3585 -5.9509 -5.9509 -1.7100 -1.7100 -1.7090 -1.7090 -1.3669 -1.3669 -0.8071 -0.8071 0.5636 0.5636 0.5656 0.5656 1.3382 1.3382 3.8003 3.8003 3.8788 3.8788 4.4488 4.4488 4.4510 4.4510 5.2521 5.2521 6.0985 6.0985 k = 0.0000 0.0000 0.1899 ( 14520 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9517 -9.9517 -8.3597 -8.3597 -5.9499 -5.9499 -1.7090 -1.7090 -1.7079 -1.7079 -1.3723 -1.3723 -0.7839 -0.7839 0.5595 0.5595 0.5615 0.5615 1.2923 1.2923 3.8753 3.8753 3.8789 3.8789 4.4583 4.4583 4.4605 4.4605 5.1841 5.1841 6.0897 6.0897 k = 0.0000 0.0000 0.2026 ( 14476 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.9514 -9.9514 -8.3607 -8.3607 -5.9491 -5.9491 -1.7080 -1.7080 -1.7069 -1.7069 -1.3770 -1.3770 -0.7621 -0.7621 0.5556 0.5556 0.5576 0.5576 1.2499 1.2499 3.8790 3.8790 3.9501 3.9501 4.4671 4.4671 4.4694 4.4694 5.1155 5.1155 6.0811 6.0811 k = 0.0000 0.0000 0.2153 ( 14480 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5722 -42.5719 -42.5719 -9.9512 -9.9512 -8.3616 -8.3616 -5.9483 -5.9483 -1.7071 -1.7071 -1.7060 -1.7060 -1.3811 -1.3811 -0.7420 -0.7420 0.5522 0.5522 0.5542 0.5542 1.2117 1.2117 3.8790 3.8790 4.0242 4.0242 4.4751 4.4751 4.4774 4.4774 5.0469 5.0469 6.0729 6.0729 k = 0.0000 0.0000 0.2279 ( 14484 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5719 -42.5719 -9.9509 -9.9509 -8.3625 -8.3625 -5.9476 -5.9476 -1.7063 -1.7063 -1.7052 -1.7052 -1.3845 -1.3845 -0.7241 -0.7241 0.5491 0.5491 0.5511 0.5511 1.1783 1.1783 3.8790 3.8790 4.0968 4.0968 4.4822 4.4822 4.4846 4.4846 4.9790 4.9790 6.0655 6.0655 k = 0.0000 0.0000 0.2406 ( 14480 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5718 -42.5718 -9.9508 -9.9508 -8.3632 -8.3632 -5.9470 -5.9470 -1.7056 -1.7056 -1.7045 -1.7045 -1.3874 -1.3874 -0.7088 -0.7088 0.5465 0.5465 0.5485 0.5485 1.1501 1.1501 3.8791 3.8791 4.1666 4.1666 4.4882 4.4882 4.4906 4.4906 4.9129 4.9129 6.0592 6.0592 k = 0.0000 0.0000 0.2533 ( 14476 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5718 -42.5718 -9.9506 -9.9506 -8.3637 -8.3637 -5.9465 -5.9465 -1.7051 -1.7051 -1.7040 -1.7040 -1.3895 -1.3895 -0.6964 -0.6964 0.5445 0.5445 0.5465 0.5465 1.1276 1.1276 3.8791 3.8791 4.2317 4.2317 4.4930 4.4930 4.4954 4.4954 4.8508 4.8508 6.0540 6.0540 k = 0.0000 0.0000 0.2659 ( 14496 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5718 -42.5718 -9.9505 -9.9505 -8.3641 -8.3641 -5.9462 -5.9462 -1.7047 -1.7047 -1.7036 -1.7036 -1.3911 -1.3911 -0.6873 -0.6873 0.5430 0.5430 0.5450 0.5450 1.1112 1.1112 3.8791 3.8791 4.2881 4.2881 4.4965 4.4965 4.4989 4.4989 4.7965 4.7965 6.0502 6.0502 k = 0.0000 0.0000 0.2786 ( 14500 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5718 -42.5718 -9.9504 -9.9504 -8.3644 -8.3644 -5.9460 -5.9460 -1.7044 -1.7044 -1.7034 -1.7034 -1.3920 -1.3920 -0.6817 -0.6817 0.5421 0.5421 0.5441 0.5441 1.1013 1.1013 3.8791 3.8791 4.3288 4.3288 4.4987 4.4987 4.5010 4.5010 4.7570 4.7570 6.0479 6.0479 k = 0.0000 0.0000 0.2912 ( 14508 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5719 -42.5719 -9.9504 -9.9504 -8.3645 -8.3645 -5.9459 -5.9459 -1.7044 -1.7044 -1.7033 -1.7033 -1.3924 -1.3924 -0.6798 -0.6798 0.5418 0.5418 0.5438 0.5438 1.0979 1.0979 3.8791 3.8791 4.3442 4.3442 4.4994 4.4994 4.5018 4.5018 4.7420 4.7420 6.0472 6.0472 k = 0.0000 0.0000 0.2912 ( 14508 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5719 -42.5719 -9.9504 -9.9504 -8.3645 -8.3645 -5.9459 -5.9459 -1.7044 -1.7044 -1.7033 -1.7033 -1.3924 -1.3924 -0.6798 -0.6798 0.5418 0.5418 0.5438 0.5438 1.0979 1.0979 3.8791 3.8791 4.3442 4.3442 4.4994 4.4994 4.5018 4.5018 4.7420 4.7420 6.0472 6.0472 k = 0.0000 0.0132 0.2912 ( 14496 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5718 -42.5718 -9.9497 -9.9497 -8.3645 -8.3645 -5.9471 -5.9471 -1.7189 -1.7188 -1.7029 -1.7029 -1.3779 -1.3779 -0.6777 -0.6775 0.5384 0.5386 0.5434 0.5434 1.1015 1.1017 3.8700 3.8702 4.3462 4.3463 4.4865 4.4869 4.5063 4.5065 4.7533 4.7537 6.0447 6.0448 k = 0.0000 0.0263 0.2912 ( 14484 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5718 -42.5718 -9.9475 -9.9475 -8.3648 -8.3648 -5.9506 -5.9506 -1.7574 -1.7572 -1.7001 -1.7001 -1.3415 -1.3415 -0.6710 -0.6708 0.5265 0.5268 0.5444 0.5444 1.1124 1.1127 3.8439 3.8443 4.3520 4.3523 4.4511 4.4517 4.5224 4.5227 4.7818 4.7824 6.0377 6.0379 k = 0.0000 0.0395 0.2912 ( 14484 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5718 -42.5718 -9.9439 -9.9439 -8.3652 -8.3652 -5.9565 -5.9565 -1.8084 -1.8082 -1.6955 -1.6955 -1.2943 -1.2942 -0.6596 -0.6592 0.5074 0.5078 0.5463 0.5464 1.1298 1.1303 3.8034 3.8039 4.3604 4.3614 4.4042 4.4043 4.5467 4.5471 4.8185 4.8193 6.0265 6.0268 k = 0.0000 0.0526 0.2912 ( 14500 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5718 -42.5718 -9.9388 -9.9388 -8.3659 -8.3658 -5.9647 -5.9646 -1.8650 -1.8648 -1.6890 -1.6890 -1.2439 -1.2437 -0.6430 -0.6424 0.4822 0.4826 0.5491 0.5491 1.1530 1.1537 3.7512 3.7518 4.3418 4.3443 4.3794 4.3807 4.5764 4.5769 4.8581 4.8589 6.0117 6.0121 k = 0.0000 0.0658 0.2912 ( 14496 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5718 -42.5718 -9.9323 -9.9323 -8.3667 -8.3667 -5.9751 -5.9751 -1.9235 -1.9233 -1.6807 -1.6807 -1.1947 -1.1945 -0.6206 -0.6199 0.4520 0.4525 0.5525 0.5526 1.1813 1.1820 3.6900 3.6906 4.2835 4.2854 4.3949 4.3955 4.6090 4.6096 4.8981 4.8988 5.9941 5.9946 k = 0.0000 0.0789 0.2912 ( 14516 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5719 -42.5719 -9.9244 -9.9244 -8.3678 -8.3678 -5.9878 -5.9877 -1.9820 -1.9818 -1.6706 -1.6706 -1.1495 -1.1491 -0.5921 -0.5913 0.4180 0.4185 0.5568 0.5569 1.2139 1.2147 3.6217 3.6224 4.2202 4.2219 4.4146 4.4149 4.6430 4.6436 4.9372 4.9379 5.9747 5.9753 k = 0.0000 0.0921 0.2912 ( 14516 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5719 -42.5719 -9.9151 -9.9151 -8.3691 -8.3691 -6.0026 -6.0025 -2.0393 -2.0391 -1.6587 -1.6587 -1.1098 -1.1093 -0.5574 -0.5564 0.3811 0.3816 0.5617 0.5619 1.2504 1.2512 3.5480 3.5487 4.1541 4.1559 4.4367 4.4369 4.6769 4.6776 4.9750 4.9757 5.9544 5.9550 k = 0.0000 0.1053 0.2912 ( 14508 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5718 -42.5718 -9.9044 -9.9044 -8.3707 -8.3707 -6.0194 -6.0194 -2.0947 -2.0945 -1.6450 -1.6450 -1.0764 -1.0758 -0.5169 -0.5157 0.3422 0.3427 0.5674 0.5676 1.2903 1.2912 3.4698 3.4706 4.0862 4.0879 4.4604 4.4607 4.7101 4.7108 5.0113 5.0120 5.9342 5.9349 k = 0.0000 0.1184 0.2912 ( 14510 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5718 -42.5718 -9.8924 -9.8924 -8.3727 -8.3727 -6.0383 -6.0382 -2.1477 -2.1475 -1.6296 -1.6296 -1.0495 -1.0489 -0.4714 -0.4702 0.3023 0.3028 0.5738 0.5740 1.3335 1.3344 3.3882 3.3890 4.0168 4.0186 4.4852 4.4853 4.7420 4.7427 5.0464 5.0471 5.9151 5.9158 k = 0.0000 0.1316 0.2912 ( 14520 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5718 -42.5718 -9.8790 -9.8790 -8.3750 -8.3750 -6.0590 -6.0590 -2.1980 -2.1977 -1.6125 -1.6125 -1.0288 -1.0282 -0.4225 -0.4211 0.2623 0.2628 0.5808 0.5810 1.3796 1.3805 3.3037 3.3046 3.9464 3.9482 4.5101 4.5102 4.7723 4.7730 5.0805 5.0812 5.8978 5.8986 k = 0.0000 0.1447 0.2912 ( 14528 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5718 -42.5718 -9.8643 -9.8643 -8.3778 -8.3777 -6.0815 -6.0814 -2.2452 -2.2450 -1.5938 -1.5938 -1.0138 -1.0132 -0.3716 -0.3701 0.2233 0.2237 0.5885 0.5887 1.4284 1.4292 3.2171 3.2179 3.8753 3.8771 4.5345 4.5345 4.8008 4.8015 5.1141 5.1148 5.8831 5.8839 k = 0.0000 0.1579 0.2912 ( 14522 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5718 -42.5718 -9.8483 -9.8483 -8.3810 -8.3809 -6.1055 -6.1055 -2.2892 -2.2890 -1.5734 -1.5734 -1.0040 -1.0033 -0.3206 -0.3190 0.1865 0.1869 0.5968 0.5970 1.4796 1.4804 3.1286 3.1295 3.8038 3.8056 4.5575 4.5576 4.8274 4.8280 5.1479 5.1486 5.8715 5.8723 k = 0.0000 0.1711 0.2912 ( 14536 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.8311 -9.8311 -8.3847 -8.3847 -6.1310 -6.1310 -2.3299 -2.3297 -1.5516 -1.5516 -0.9990 -0.9982 -0.2716 -0.2700 0.1536 0.1539 0.6056 0.6058 1.5329 1.5337 3.0389 3.0397 3.7322 3.7340 4.5787 4.5789 4.8520 4.8527 5.1825 5.1833 5.8634 5.8642 k = 0.0000 0.1842 0.2912 ( 14536 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.8127 -9.8127 -8.3890 -8.3889 -6.1578 -6.1578 -2.3672 -2.3670 -1.5282 -1.5282 -0.9984 -0.9976 -0.2272 -0.2255 0.1268 0.1270 0.6149 0.6152 1.5880 1.5888 2.9482 2.9491 3.6608 3.6626 4.5978 4.5981 4.8748 4.8754 5.2187 5.2195 5.8589 5.8597 k = 0.0000 0.1974 0.2912 ( 14540 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.7932 -9.7932 -8.3939 -8.3939 -6.1857 -6.1856 -2.4011 -2.4009 -1.5035 -1.5035 -1.0020 -1.0013 -0.1907 -0.1888 0.1095 0.1095 0.6248 0.6251 1.6443 1.6450 2.8570 2.8579 3.5898 3.5916 4.6147 4.6151 4.8957 4.8963 5.2570 5.2579 5.8579 5.8587 k = 0.0000 0.2105 0.2912 ( 14538 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.7725 -9.7725 -8.3995 -8.3994 -6.2144 -6.2144 -2.4315 -2.4314 -1.4774 -1.4774 -1.0099 -1.0092 -0.1656 -0.1638 0.1051 0.1051 0.6351 0.6354 1.7013 1.7020 2.7655 2.7664 3.5195 3.5213 4.6297 4.6302 4.9147 4.9154 5.2978 5.2988 5.8604 5.8610 k = 0.0000 0.2237 0.2912 ( 14536 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.7508 -9.7508 -8.4058 -8.4057 -6.2439 -6.2438 -2.4586 -2.4585 -1.4501 -1.4501 -1.0219 -1.0212 -0.1538 -0.1520 0.1156 0.1157 0.6459 0.6462 1.7584 1.7590 2.6742 2.6750 3.4501 3.4519 4.6432 4.6439 4.9321 4.9327 5.3415 5.3425 5.8659 5.8665 k = 0.0000 0.2368 0.2912 ( 14532 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.7282 -9.7282 -8.4129 -8.4128 -6.2738 -6.2737 -2.4823 -2.4822 -1.4216 -1.4216 -1.0379 -1.0372 -0.1531 -0.1514 0.1389 0.1391 0.6570 0.6574 1.8150 1.8155 2.5832 2.5841 3.3820 3.3837 4.6562 4.6570 4.9477 4.9483 5.3878 5.3890 5.8743 5.8749 k = 0.0000 0.2500 0.2912 ( 14528 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.7047 -9.7046 -8.4208 -8.4207 -6.3039 -6.3038 -2.5028 -2.5027 -1.3922 -1.3922 -1.0579 -1.0572 -0.1587 -0.1572 0.1704 0.1706 0.6685 0.6689 1.8702 1.8706 2.4929 2.4938 3.3153 3.3170 4.6695 4.6703 4.9618 4.9624 5.4368 5.4381 5.8853 5.8857 k = 0.0000 0.2632 0.2912 ( 14540 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.6803 -9.6803 -8.4295 -8.4294 -6.3340 -6.3340 -2.5201 -2.5200 -1.3619 -1.3619 -1.0814 -1.0808 -0.1667 -0.1654 0.2059 0.2062 0.6803 0.6807 1.9235 1.9238 2.4035 2.4044 3.2502 3.2519 4.6840 4.6849 4.9745 4.9750 5.4880 5.4895 5.8985 5.8988 k = 0.0000 0.2763 0.2912 ( 14528 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.6552 -9.6552 -8.4391 -8.4390 -6.3640 -6.3639 -2.5345 -2.5344 -1.3309 -1.3309 -1.1083 -1.1077 -0.1747 -0.1734 0.2430 0.2433 0.6924 0.6928 1.9741 1.9743 2.3155 2.3164 3.1870 3.1887 4.7006 4.7017 4.9857 4.9862 5.5412 5.5427 5.9137 5.9139 k = 0.0000 0.2895 0.2912 ( 14522 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.6296 -9.6295 -8.4496 -8.4495 -6.3934 -6.3934 -2.5459 -2.5459 -1.2993 -1.2993 -1.1381 -1.1375 -0.1812 -0.1801 0.2800 0.2804 0.7047 0.7052 2.0215 2.0216 2.2289 2.2298 3.1259 3.1275 4.7200 4.7212 4.9956 4.9961 5.5956 5.5973 5.9310 5.9310 k = 0.0000 0.3026 0.2912 ( 14510 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.6034 -9.6034 -8.4609 -8.4608 -6.4222 -6.4222 -2.5547 -2.5546 -1.2674 -1.2673 -1.1702 -1.1696 -0.1859 -0.1849 0.3162 0.3166 0.7173 0.7178 2.0651 2.0651 2.1442 2.1451 3.0670 3.0686 4.7429 4.7442 5.0044 5.0048 5.6506 5.6524 5.9502 5.9503 k = 0.0000 0.3158 0.2912 ( 14498 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.5769 -9.5769 -8.4731 -8.4730 -6.4502 -6.4501 -2.5610 -2.5609 -1.2353 -1.2352 -1.2040 -1.2035 -0.1885 -0.1875 0.3509 0.3513 0.7300 0.7306 2.0615 2.0624 2.1045 2.1045 3.0105 3.0121 4.7695 4.7709 5.0120 5.0124 5.7052 5.7072 5.9718 5.9721 k = 0.0000 0.3289 0.2912 ( 14496 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.5502 -9.5502 -8.4860 -8.4859 -6.4770 -6.4769 -2.5649 -2.5649 -1.2390 -1.2385 -1.2032 -1.2032 -0.1891 -0.1883 0.3840 0.3844 0.7430 0.7435 1.9813 1.9822 2.1396 2.1397 2.9567 2.9582 4.7999 4.8014 5.0186 5.0190 5.7582 5.7604 5.9964 5.9968 k = 0.0000 0.3421 0.2912 ( 14506 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.5235 -9.5235 -8.4996 -8.4996 -6.5026 -6.5025 -2.5668 -2.5668 -1.2746 -1.2741 -1.1716 -1.1715 -0.1881 -0.1873 0.4150 0.4154 0.7561 0.7567 1.9038 1.9047 2.1704 2.1705 2.9055 2.9070 4.8339 4.8355 5.0242 5.0246 5.8080 5.8104 6.0250 6.0256 k = 0.0000 0.3553 0.2912 ( 14510 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.4970 -9.4970 -8.5139 -8.5138 -6.5267 -6.5266 -2.5668 -2.5668 -1.3101 -1.3097 -1.1405 -1.1405 -0.1856 -0.1848 0.4440 0.4444 0.7693 0.7699 1.8294 1.8303 2.1969 2.1971 2.8573 2.8586 4.8712 4.8727 5.0290 5.0294 5.8528 5.8552 6.0587 6.0593 k = 0.0000 0.3684 0.2912 ( 14510 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5721 -42.5721 -42.5719 -42.5719 -9.4710 -9.4709 -8.5285 -8.5284 -6.5492 -6.5492 -2.5653 -2.5653 -1.3451 -1.3447 -1.1104 -1.1104 -0.1819 -0.1813 0.4708 0.4711 0.7827 0.7833 1.7584 1.7593 2.2195 2.2197 2.8120 2.8133 4.9108 4.9124 5.0331 5.0334 5.8912 5.8935 6.0979 6.0984 k = 0.0000 0.3816 0.2912 ( 14526 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.4456 -9.4456 -8.5434 -8.5433 -6.5700 -6.5699 -2.5625 -2.5625 -1.3788 -1.3784 -1.0815 -1.0815 -0.1775 -0.1769 0.4953 0.4956 0.7961 0.7967 1.6912 1.6921 2.2386 2.2388 2.7698 2.7710 4.9521 4.9537 5.0365 5.0368 5.9229 5.9250 6.1420 6.1423 k = 0.0000 0.3947 0.2912 ( 14518 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.4212 -9.4212 -8.5582 -8.5581 -6.5889 -6.5888 -2.5587 -2.5587 -1.4108 -1.4105 -1.0543 -1.0543 -0.1727 -0.1721 0.5174 0.5177 0.8095 0.8102 1.6282 1.6291 2.2546 2.2548 2.7309 2.7319 4.9939 4.9955 5.0393 5.0396 5.9486 5.9504 6.1887 6.1888 k = 0.0000 0.4079 0.2912 ( 14516 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3983 -9.3982 -8.5727 -8.5726 -6.6058 -6.6057 -2.5542 -2.5542 -1.4406 -1.4403 -1.0290 -1.0290 -0.1676 -0.1671 0.5371 0.5373 0.8229 0.8235 1.5700 1.5708 2.2679 2.2682 2.6953 2.6963 5.0348 5.0365 5.0416 5.0420 5.9694 5.9710 6.2353 6.2354 k = 0.0000 0.4211 0.2912 ( 14524 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3770 -9.3770 -8.5865 -8.5864 -6.6206 -6.6206 -2.5494 -2.5494 -1.4677 -1.4674 -1.0061 -1.0061 -0.1626 -0.1622 0.5542 0.5544 0.8360 0.8366 1.5170 1.5178 2.2792 2.2794 2.6634 2.6643 5.0433 5.0435 5.0744 5.0757 5.9864 5.9876 6.2792 6.2794 k = 0.0000 0.4342 0.2912 ( 14520 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3579 -9.3579 -8.5992 -8.5992 -6.6332 -6.6332 -2.5446 -2.5446 -1.4915 -1.4913 -0.9860 -0.9860 -0.1579 -0.1576 0.5688 0.5690 0.8485 0.8491 1.4700 1.4707 2.2885 2.2888 2.6353 2.6360 5.0447 5.0449 5.1105 5.1117 6.0001 6.0011 6.3180 6.3184 k = 0.0000 0.4474 0.2912 ( 14516 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3415 -9.3414 -8.6105 -8.6105 -6.6437 -6.6437 -2.5401 -2.5401 -1.5117 -1.5115 -0.9689 -0.9689 -0.1538 -0.1536 0.5808 0.5810 0.8601 0.8606 1.4296 1.4302 2.2963 2.2966 2.6114 2.6120 5.0458 5.0460 5.1421 5.1432 6.0110 6.0118 6.3502 6.3506 k = 0.0000 0.4605 0.2912 ( 14518 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3280 -9.3280 -8.6198 -8.6198 -6.6518 -6.6518 -2.5362 -2.5362 -1.5279 -1.5277 -0.9553 -0.9552 -0.1504 -0.1502 0.5902 0.5903 0.8702 0.8707 1.3967 1.3972 2.3026 2.3028 2.5921 2.5926 5.0466 5.0467 5.1682 5.1690 6.0193 6.0199 6.3748 6.3752 k = 0.0000 0.4737 0.2912 ( 14504 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3181 -9.3181 -8.6268 -8.6268 -6.6577 -6.6577 -2.5333 -2.5332 -1.5396 -1.5396 -0.9453 -0.9453 -0.1479 -0.1477 0.5969 0.5970 0.8783 0.8786 1.3723 1.3727 2.3074 2.3075 2.5778 2.5781 5.0472 5.0473 5.1877 5.1883 6.0252 6.0256 6.3917 6.3920 k = 0.0000 0.4868 0.2912 ( 14516 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3120 -9.3120 -8.6312 -8.6312 -6.6612 -6.6612 -2.5314 -2.5314 -1.5468 -1.5468 -0.9392 -0.9392 -0.1463 -0.1462 0.6010 0.6010 0.8835 0.8836 1.3573 1.3575 2.3103 2.3104 2.5691 2.5692 5.0475 5.0476 5.1998 5.2001 6.0288 6.0290 6.4014 6.4016 k = 0.0000 0.5000 0.2912 ( 14520 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3099 -9.3099 -8.6327 -8.6327 -6.6624 -6.6624 -2.5307 -2.5307 -1.5492 -1.5492 -0.9372 -0.9372 -0.1457 -0.1457 0.6023 0.6023 0.8853 0.8853 1.3523 1.3523 2.3114 2.3114 2.5661 2.5661 5.0476 5.0476 5.2040 5.2040 6.0300 6.0300 6.4046 6.4046 k = 0.0000 0.5000 0.2912 ( 14520 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3099 -9.3099 -8.6327 -8.6327 -6.6624 -6.6624 -2.5307 -2.5307 -1.5492 -1.5492 -0.9372 -0.9372 -0.1457 -0.1457 0.6023 0.6023 0.8853 0.8853 1.3523 1.3523 2.3114 2.3114 2.5661 2.5661 5.0476 5.0476 5.2040 5.2040 6.0300 6.0300 6.4046 6.4046 k = 0.0132 0.5000 0.2912 ( 14520 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3091 -9.3091 -8.6324 -8.6324 -6.6635 -6.6635 -2.5299 -2.5299 -1.5587 -1.5586 -0.9274 -0.9273 -0.1459 -0.1458 0.5951 0.5956 0.8899 0.8904 1.3508 1.3509 2.3110 2.3111 2.5684 2.5685 5.0420 5.0421 5.2044 5.2045 6.0325 6.0327 6.4066 6.4067 k = 0.0263 0.5000 0.2912 ( 14512 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3067 -9.3067 -8.6318 -8.6318 -6.6670 -6.6670 -2.5275 -2.5275 -1.5852 -1.5851 -0.8999 -0.8998 -0.1463 -0.1460 0.5752 0.5761 0.9031 0.9040 1.3467 1.3469 2.3101 2.3101 2.5754 2.5754 5.0255 5.0258 5.2059 5.2060 6.0399 6.0402 6.4127 6.4127 k = 0.0395 0.5000 0.2912 ( 14528 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3026 -9.3025 -8.6307 -8.6307 -6.6727 -6.6727 -2.5236 -2.5235 -1.6245 -1.6244 -0.8593 -0.8592 -0.1466 -0.1460 0.5455 0.5466 0.9220 0.9232 1.3400 1.3403 2.3084 2.3084 2.5870 2.5871 4.9994 4.9998 5.2083 5.2085 6.0509 6.0514 6.4227 6.4228 k = 0.0526 0.5000 0.2912 ( 14524 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.2968 -9.2968 -8.6291 -8.6291 -6.6807 -6.6807 -2.5180 -2.5179 -1.6720 -1.6719 -0.8109 -0.8107 -0.1463 -0.1456 0.5086 0.5099 0.9442 0.9455 1.3310 1.3314 2.3059 2.3060 2.6032 2.6034 4.9651 4.9656 5.2117 5.2119 6.0642 6.0648 6.4368 6.4369 k = 0.0658 0.5000 0.2912 ( 14520 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.2894 -9.2894 -8.6271 -8.6271 -6.6909 -6.6909 -2.5108 -2.5108 -1.7243 -1.7241 -0.7590 -0.7587 -0.1448 -0.1438 0.4664 0.4677 0.9679 0.9693 1.3200 1.3205 2.3026 2.3026 2.6243 2.6245 4.9243 4.9250 5.2160 5.2162 6.0781 6.0787 6.4548 6.4550 k = 0.0789 0.5000 0.2912 ( 14512 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.2805 -9.2805 -8.6247 -8.6247 -6.7035 -6.7035 -2.5021 -2.5021 -1.7786 -1.7785 -0.7077 -0.7073 -0.1409 -0.1396 0.4201 0.4215 0.9920 0.9935 1.3074 1.3080 2.2982 2.2982 2.6502 2.6504 4.8789 4.8796 5.2211 5.2214 6.0911 6.0918 6.4766 6.4768 k = 0.0921 0.5000 0.2912 ( 14516 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.2699 -9.2699 -8.6219 -8.6219 -6.7183 -6.7183 -2.4919 -2.4918 -1.8334 -1.8332 -0.6605 -0.6599 -0.1331 -0.1316 0.3706 0.3720 1.0159 1.0175 1.2937 1.2944 2.2926 2.2927 2.6811 2.6813 4.8304 4.8311 5.2271 5.2274 6.1020 6.1028 6.5019 6.5022 k = 0.1053 0.5000 0.2912 ( 14500 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.2577 -9.2577 -8.6187 -8.6187 -6.7354 -6.7354 -2.4801 -2.4800 -1.8874 -1.8872 -0.6205 -0.6198 -0.1197 -0.1180 0.3184 0.3199 1.0392 1.0408 1.2793 1.2801 2.2857 2.2858 2.7169 2.7171 4.7801 4.7809 5.2339 5.2343 6.1100 6.1107 6.5305 6.5308 k = 0.1184 0.5000 0.2912 ( 14480 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.2439 -9.2439 -8.6151 -8.6151 -6.7547 -6.7547 -2.4668 -2.4667 -1.9397 -1.9395 -0.5908 -0.5899 -0.0992 -0.0974 0.2641 0.2655 1.0618 1.0634 1.2649 1.2657 2.2772 2.2773 2.7578 2.7581 4.7295 4.7303 5.2416 5.2419 6.1144 6.1151 6.5618 6.5622 k = 0.1316 0.5000 0.2912 ( 14476 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5719 -42.5719 -42.5719 -42.5719 -9.2285 -9.2285 -8.6112 -8.6112 -6.7762 -6.7762 -2.4520 -2.4518 -1.9897 -1.9895 -0.5728 -0.5719 -0.0709 -0.0689 0.2080 0.2094 1.0836 1.0851 1.2508 1.2518 2.2670 2.2671 2.8039 2.8042 4.6795 4.6803 5.2500 5.2504 6.1148 6.1155 6.5954 6.5958 k = 0.1447 0.5000 0.2912 ( 14472 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5719 -42.5719 -42.5719 -42.5719 -9.2116 -9.2116 -8.6070 -8.6070 -6.8000 -6.8000 -2.4357 -2.4356 -2.0369 -2.0367 -0.5669 -0.5660 -0.0353 -0.0333 0.1503 0.1517 1.1044 1.1060 1.2378 1.2387 2.2549 2.2550 2.8552 2.8555 4.6311 4.6319 5.2593 5.2597 6.1112 6.1119 6.6307 6.6311 k = 0.1579 0.5000 0.2912 ( 14480 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5719 -42.5719 -42.5719 -42.5719 -9.1932 -9.1932 -8.6025 -8.6025 -6.8259 -6.8259 -2.4180 -2.4179 -2.0810 -2.0808 -0.5721 -0.5713 0.0058 0.0078 0.0915 0.0928 1.1245 1.1260 1.2261 1.2271 2.2408 2.2409 2.9117 2.9120 4.5851 4.5859 5.2694 5.2699 6.1035 6.1042 6.6673 6.6678 k = 0.1711 0.5000 0.2912 ( 14480 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5719 -42.5719 -42.5719 -42.5719 -9.1733 -9.1733 -8.5977 -8.5977 -6.8539 -6.8538 -2.3989 -2.3988 -2.1216 -2.1214 -0.5869 -0.5861 0.0316 0.0329 0.0503 0.0522 1.1436 1.1452 1.2164 1.2174 2.2245 2.2247 2.9734 2.9737 4.5421 4.5429 5.2805 5.2810 6.0917 6.0924 6.7048 6.7053 k = 0.1842 0.5000 0.2912 ( 14480 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5719 -42.5719 -42.5719 -42.5719 -9.1519 -9.1519 -8.5927 -8.5927 -6.8839 -6.8839 -2.3785 -2.3783 -2.1586 -2.1584 -0.6096 -0.6090 -0.0290 -0.0277 0.0961 0.0980 1.1620 1.1635 1.2089 1.2099 2.2060 2.2062 3.0402 3.0405 4.5027 4.5035 5.2926 5.2932 6.0760 6.0767 6.7428 6.7433 k = 0.1974 0.5000 0.2912 ( 14488 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5719 -42.5719 -42.5719 -42.5719 -9.1291 -9.1291 -8.5875 -8.5875 -6.9159 -6.9159 -2.3567 -2.3565 -2.1918 -2.1916 -0.6390 -0.6385 -0.0900 -0.0888 0.1416 0.1434 1.1796 1.1811 1.2039 1.2049 2.1852 2.1854 3.1119 3.1123 4.4674 4.4682 5.3059 5.3064 6.0565 6.0572 6.7810 6.7814 k = 0.2105 0.5000 0.2912 ( 14492 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5719 -42.5719 -42.5719 -42.5719 -9.1049 -9.1049 -8.5821 -8.5821 -6.9498 -6.9497 -2.3337 -2.3334 -2.2210 -2.2209 -0.6740 -0.6736 -0.1514 -0.1502 0.1856 0.1872 1.1965 1.1979 1.2016 1.2027 2.1622 2.1624 3.1884 3.1887 4.4365 4.4373 5.3204 5.3210 6.0333 6.0340 6.8190 6.8194 k = 0.2237 0.5000 0.2912 ( 14476 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5719 -42.5719 -42.5719 -42.5719 -9.0793 -9.0793 -8.5766 -8.5765 -6.9854 -6.9854 -2.3094 -2.3092 -2.2463 -2.2461 -0.7137 -0.7134 -0.2128 -0.2116 0.2271 0.2287 1.2021 1.2032 1.2127 1.2141 2.1369 2.1372 3.2692 3.2695 4.4103 4.4111 5.3364 5.3371 6.0067 6.0073 6.8566 6.8570 k = 0.2368 0.5000 0.2912 ( 14484 PWs) bands (ev): -43.7486 -43.7486 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -9.0525 -9.0525 -8.5709 -8.5709 -7.0227 -7.0227 -2.2839 -2.2837 -2.2674 -2.2673 -0.7574 -0.7572 -0.2742 -0.2730 0.2657 0.2671 1.2055 1.2064 1.2282 1.2296 2.1097 2.1099 3.3540 3.3543 4.3889 4.3896 5.3542 5.3549 5.9767 5.9774 6.8937 6.8941 k = 0.2500 0.5000 0.2912 ( 14476 PWs) bands (ev): -43.7486 -43.7486 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -9.0243 -9.0243 -8.5652 -8.5652 -7.0616 -7.0616 -2.2845 -2.2844 -2.2574 -2.2571 -0.8046 -0.8044 -0.3352 -0.3341 0.3009 0.3023 1.2114 1.2123 1.2431 1.2445 2.0805 2.0808 3.4422 3.4425 4.3724 4.3731 5.3739 5.3747 5.9438 5.9444 6.9301 6.9304 k = 0.2632 0.5000 0.2912 ( 14472 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -8.9950 -8.9950 -8.5595 -8.5595 -7.1018 -7.1018 -2.2976 -2.2974 -2.2298 -2.2295 -0.8547 -0.8545 -0.3958 -0.3947 0.3328 0.3340 1.2198 1.2206 1.2574 1.2587 2.0498 2.0501 3.5333 3.5335 4.3607 4.3613 5.3961 5.3969 5.9080 5.9086 6.9655 6.9659 k = 0.2763 0.5000 0.2912 ( 14472 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -8.9646 -8.9646 -8.5539 -8.5539 -7.1433 -7.1433 -2.3065 -2.3064 -2.2012 -2.2009 -0.9073 -0.9072 -0.4557 -0.4547 0.3613 0.3624 1.2302 1.2310 1.2711 1.2724 2.0177 2.0180 3.6264 3.6266 4.3537 4.3544 5.4210 5.4218 5.8697 5.8703 7.0001 7.0004 k = 0.2895 0.5000 0.2912 ( 14484 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -8.9332 -8.9332 -8.5482 -8.5482 -7.1858 -7.1858 -2.3115 -2.3114 -2.1717 -2.1714 -0.9619 -0.9618 -0.5149 -0.5138 0.3866 0.3876 1.2424 1.2432 1.2842 1.2855 1.9847 1.9850 3.7207 3.7208 4.3514 4.3520 5.4491 5.4500 5.8291 5.8297 7.0335 7.0338 k = 0.3026 0.5000 0.2912 ( 14488 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5719 -42.5719 -8.9008 -8.9008 -8.5427 -8.5427 -7.2292 -7.2292 -2.3125 -2.3124 -2.1415 -2.1412 -1.0182 -1.0181 -0.5731 -0.5721 0.4089 0.4098 1.2560 1.2566 1.2968 1.2980 1.9510 1.9513 3.8151 3.8152 4.3534 4.3541 5.4810 5.4820 5.7866 5.7872 7.0659 7.0662 k = 0.3158 0.5000 0.2912 ( 14480 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.8677 -8.8677 -8.5373 -8.5373 -7.2733 -7.2733 -2.3097 -2.3096 -2.1105 -2.1102 -1.0757 -1.0756 -0.6302 -0.6292 0.4284 0.4292 1.2704 1.2710 1.3088 1.3100 1.9170 1.9174 3.9086 3.9086 4.3596 4.3603 5.5173 5.5183 5.7424 5.7430 7.0971 7.0974 k = 0.3289 0.5000 0.2912 ( 14468 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.8338 -8.8338 -8.5321 -8.5321 -7.3177 -7.3177 -2.3032 -2.3031 -2.0790 -2.0787 -1.1340 -1.1340 -0.6860 -0.6851 0.4455 0.4463 1.2854 1.2860 1.3203 1.3215 1.8831 1.8835 3.9999 4.0000 4.3697 4.3703 5.5585 5.5596 5.6969 5.6975 7.1272 7.1274 k = 0.3421 0.5000 0.2912 ( 14468 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.7995 -8.7995 -8.5271 -8.5271 -7.3623 -7.3623 -2.2930 -2.2929 -2.0470 -2.0467 -1.1930 -1.1929 -0.7404 -0.7395 0.4605 0.4611 1.3006 1.3011 1.3312 1.3323 1.8497 1.8502 4.0879 4.0879 4.3832 4.3838 5.6053 5.6065 5.6505 5.6511 7.1560 7.1562 k = 0.3553 0.5000 0.2912 ( 14460 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.7650 -8.7649 -8.5223 -8.5223 -7.4067 -7.4067 -2.2793 -2.2792 -2.0148 -2.0145 -1.2521 -1.2521 -0.7932 -0.7923 0.4735 0.4740 1.3156 1.3160 1.3416 1.3427 1.8172 1.8177 4.1711 4.1712 4.3999 4.4005 5.6035 5.6040 5.6582 5.6594 7.1836 7.1838 k = 0.3684 0.5000 0.2912 ( 14468 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.7303 -8.7303 -8.5178 -8.5178 -7.4507 -7.4507 -2.2623 -2.2622 -1.9826 -1.9822 -1.3111 -1.3111 -0.8442 -0.8433 0.4847 0.4852 1.3302 1.3305 1.3514 1.3525 1.7859 1.7863 4.2486 4.2487 4.4193 4.4198 5.5563 5.5568 5.7173 5.7185 7.1610 7.1611 k = 0.3816 0.5000 0.2912 ( 14464 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.6960 -8.6960 -8.5137 -8.5137 -7.4937 -7.4937 -2.2422 -2.2421 -1.9505 -1.9501 -1.3696 -1.3696 -0.8931 -0.8923 0.4945 0.4949 1.3440 1.3443 1.3607 1.3617 1.7561 1.7566 4.3192 4.3194 4.4409 4.4415 5.5095 5.5100 5.7825 5.7837 7.1168 7.1169 k = 0.3947 0.5000 0.2912 ( 14480 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.6623 -8.6623 -8.5099 -8.5099 -7.5354 -7.5354 -2.2192 -2.2191 -1.9189 -1.9186 -1.4273 -1.4273 -0.9396 -0.9388 0.5029 0.5032 1.3569 1.3572 1.3694 1.3703 1.7282 1.7287 4.3824 4.3826 4.4643 4.4648 5.4636 5.4641 5.8532 5.8545 7.0782 7.0784 k = 0.4079 0.5000 0.2912 ( 14488 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.6298 -8.6298 -8.5064 -8.5064 -7.5753 -7.5753 -2.1935 -2.1935 -1.8883 -1.8879 -1.4837 -1.4837 -0.9834 -0.9827 0.5100 0.5103 1.3687 1.3689 1.3775 1.3784 1.7024 1.7029 4.4377 4.4379 4.4888 4.4893 5.4192 5.4196 5.9283 5.9294 7.0460 7.0462 k = 0.4211 0.5000 0.2912 ( 14492 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5989 -8.5989 -8.5034 -8.5034 -7.6126 -7.6125 -2.1656 -2.1656 -1.8590 -1.8587 -1.5385 -1.5385 -1.0239 -1.0233 0.5160 0.5163 1.3792 1.3794 1.3850 1.3858 1.6792 1.6797 4.4849 4.4851 4.5137 4.5141 5.3770 5.3775 6.0056 6.0067 7.0207 7.0209 k = 0.4342 0.5000 0.2912 ( 14496 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5705 -8.5705 -8.5008 -8.5008 -7.6466 -7.6466 -2.1361 -2.1360 -1.8318 -1.8315 -1.5909 -1.5909 -1.0606 -1.0601 0.5210 0.5212 1.3883 1.3884 1.3917 1.3925 1.6587 1.6592 4.5241 4.5243 4.5380 4.5384 5.3381 5.3385 6.0823 6.0833 7.0031 7.0034 k = 0.4474 0.5000 0.2912 ( 14484 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5452 -8.5452 -8.4986 -8.4986 -7.6764 -7.6764 -2.1057 -2.1057 -1.8074 -1.8071 -1.6401 -1.6401 -1.0927 -1.0923 0.5250 0.5252 1.3959 1.3959 1.3977 1.3983 1.6413 1.6417 4.5555 4.5557 4.5607 4.5610 5.3034 5.3037 6.1548 6.1557 6.9941 6.9944 k = 0.4605 0.5000 0.2912 ( 14476 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5241 -8.5241 -8.4969 -8.4969 -7.7011 -7.7011 -2.0759 -2.0759 -1.7868 -1.7865 -1.6845 -1.6845 -1.1193 -1.1189 0.5281 0.5282 1.4017 1.4018 1.4028 1.4032 1.6273 1.6276 4.5795 4.5796 4.5806 4.5809 5.2742 5.2745 6.2185 6.2192 6.9937 6.9941 k = 0.4737 0.5000 0.2912 ( 14492 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5081 -8.5081 -8.4957 -8.4957 -7.7197 -7.7197 -2.0491 -2.0491 -1.7710 -1.7708 -1.7218 -1.7218 -1.1393 -1.1390 0.5302 0.5303 1.4059 1.4060 1.4067 1.4069 1.6170 1.6173 4.5961 4.5962 4.5966 4.5966 5.2519 5.2521 6.2685 6.2690 7.0006 7.0010 k = 0.4868 0.5000 0.2912 ( 14508 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4981 -8.4981 -8.4950 -8.4950 -7.7313 -7.7313 -2.0293 -2.0293 -1.7610 -1.7609 -1.7479 -1.7479 -1.1518 -1.1516 0.5315 0.5316 1.4084 1.4085 1.4092 1.4093 1.6107 1.6109 4.6062 4.6062 4.6066 4.6066 5.2379 5.2380 6.3006 6.3008 7.0101 7.0103 k = 0.5000 0.5000 0.2912 ( 14528 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4948 -8.4948 -8.4947 -8.4947 -7.7352 -7.7352 -2.0218 -2.0218 -1.7576 -1.7576 -1.7574 -1.7574 -1.1560 -1.1560 0.5320 0.5320 1.4093 1.4093 1.4101 1.4101 1.6087 1.6087 4.6096 4.6096 4.6100 4.6100 5.2332 5.2332 6.3117 6.3117 7.0148 7.0148 k = 0.5000 0.5000 0.2912 ( 14528 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4948 -8.4948 -8.4947 -8.4947 -7.7352 -7.7352 -2.0218 -2.0218 -1.7576 -1.7576 -1.7574 -1.7574 -1.1560 -1.1560 0.5320 0.5320 1.4093 1.4093 1.4101 1.4101 1.6087 1.6087 4.6096 4.6096 4.6100 4.6100 5.2332 5.2332 6.3117 6.3117 7.0148 7.0148 k = 0.4907 0.4907 0.2912 ( 14500 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4985 -8.4985 -8.4946 -8.4946 -7.7313 -7.7313 -2.0293 -2.0293 -1.7598 -1.7596 -1.7491 -1.7491 -1.1518 -1.1517 0.5315 0.5316 1.4075 1.4076 1.4101 1.4102 1.6107 1.6109 4.6050 4.6051 4.6078 4.6079 5.2379 5.2380 6.3006 6.3009 7.0102 7.0104 k = 0.4815 0.4815 0.2912 ( 14488 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5095 -8.5095 -8.4942 -8.4942 -7.7199 -7.7199 -2.0493 -2.0493 -1.7663 -1.7660 -1.7264 -1.7263 -1.1394 -1.1391 0.5303 0.5303 1.4013 1.4016 1.4114 1.4115 1.6169 1.6171 4.5913 4.5915 4.6018 4.6019 5.2515 5.2517 6.2688 6.2693 7.0012 7.0015 k = 0.4722 0.4722 0.2912 ( 14490 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5272 -8.5272 -8.4935 -8.4935 -7.7015 -7.7015 -2.0774 -2.0774 -1.7765 -1.7761 -1.6938 -1.6937 -1.1193 -1.1189 0.5281 0.5283 1.3913 1.3918 1.4135 1.4137 1.6270 1.6273 4.5701 4.5703 4.5918 4.5919 5.2727 5.2730 6.2186 6.2194 6.9953 6.9957 k = 0.4630 0.4630 0.2912 ( 14490 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5507 -8.5506 -8.4926 -8.4926 -7.6770 -7.6770 -2.1097 -2.1097 -1.7896 -1.7891 -1.6551 -1.6549 -1.0922 -1.0918 0.5252 0.5253 1.3779 1.3784 1.4165 1.4167 1.6406 1.6410 4.5430 4.5432 4.5776 4.5778 5.2997 5.3000 6.1540 6.1550 6.9969 6.9972 k = 0.4537 0.4537 0.2912 ( 14486 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.5789 -8.5789 -8.4914 -8.4914 -7.6474 -7.6474 -2.1441 -2.1441 -1.8048 -1.8043 -1.6125 -1.6123 -1.0592 -1.0587 0.5215 0.5216 1.3613 1.3618 1.4203 1.4206 1.6575 1.6579 4.5117 4.5120 4.5591 4.5593 5.3304 5.3307 6.0792 6.0803 7.0067 7.0070 k = 0.4444 0.4444 0.2912 ( 14486 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.6110 -8.6110 -8.4900 -8.4899 -7.6137 -7.6137 -2.1792 -2.1791 -1.8214 -1.8208 -1.5674 -1.5671 -1.0210 -1.0204 0.5169 0.5171 1.3417 1.3423 1.4250 1.4253 1.6775 1.6779 4.4779 4.4781 4.5359 4.5362 5.3632 5.3635 5.9983 5.9995 7.0240 7.0242 k = 0.4352 0.4352 0.2912 ( 14482 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.6461 -8.6461 -8.4883 -8.4883 -7.5766 -7.5766 -2.2142 -2.2141 -1.8388 -1.8381 -1.5205 -1.5202 -0.9784 -0.9777 0.5115 0.5118 1.3193 1.3199 1.4305 1.4308 1.7004 1.7007 4.4426 4.4429 4.5078 4.5082 5.3966 5.3969 5.9145 5.9158 7.0471 7.0473 k = 0.4259 0.4259 0.2912 ( 14468 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.6836 -8.6836 -8.4864 -8.4863 -7.5369 -7.5369 -2.2486 -2.2485 -1.8563 -1.8556 -1.4722 -1.4720 -0.9320 -0.9313 0.5054 0.5057 1.2942 1.2948 1.4368 1.4372 1.7260 1.7264 4.4070 4.4072 4.4744 4.4748 5.4293 5.4296 5.8308 5.8322 7.0743 7.0745 k = 0.4167 0.4167 0.2912 ( 14460 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.7229 -8.7228 -8.4842 -8.4842 -7.4950 -7.4950 -2.2821 -2.2820 -1.8736 -1.8728 -1.4230 -1.4227 -0.8825 -0.8818 0.4985 0.4988 1.2665 1.2671 1.4441 1.4445 1.7544 1.7547 4.3718 4.3720 4.4351 4.4356 5.4604 5.4606 5.7494 5.7508 7.1042 7.1044 k = 0.4074 0.4074 0.2912 ( 14444 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.7634 -8.7634 -8.4819 -8.4818 -7.4515 -7.4515 -2.3144 -2.3143 -1.8904 -1.8896 -1.3731 -1.3728 -0.8303 -0.8296 0.4909 0.4912 1.2363 1.2369 1.4522 1.4526 1.7853 1.7855 4.3377 4.3378 4.3896 4.3900 5.4888 5.4889 5.6722 5.6737 7.0844 7.0845 k = 0.3981 0.3981 0.2912 ( 14452 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.8049 -8.8049 -8.4793 -8.4792 -7.4067 -7.4067 -2.3453 -2.3453 -1.9064 -1.9056 -1.3226 -1.3222 -0.7760 -0.7751 0.4825 0.4828 1.2037 1.2043 1.4612 1.4617 1.8186 1.8188 4.3050 4.3051 4.3374 4.3378 5.5138 5.5138 5.6008 5.6022 7.0529 7.0529 k = 0.3889 0.3889 0.2912 ( 14464 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.8471 -8.8471 -8.4765 -8.4765 -7.3609 -7.3609 -2.3748 -2.3747 -1.9214 -1.9206 -1.2716 -1.2712 -0.7198 -0.7190 0.4734 0.4738 1.1686 1.1692 1.4712 1.4717 1.8543 1.8545 4.2744 4.2744 4.2785 4.2788 5.5338 5.5347 5.5371 5.5377 7.0238 7.0238 k = 0.3796 0.3796 0.2912 ( 14462 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.8897 -8.8896 -8.4736 -8.4735 -7.3144 -7.3144 -2.4026 -2.4025 -1.9354 -1.9346 -1.2203 -1.2199 -0.6623 -0.6615 0.4636 0.4640 1.1314 1.1319 1.4824 1.4829 1.8922 1.8923 4.2126 4.2129 4.2461 4.2461 5.4790 5.4805 5.5512 5.5513 6.9973 6.9974 k = 0.3704 0.3704 0.2912 ( 14478 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.9324 -8.9324 -8.4705 -8.4704 -7.2673 -7.2672 -2.4287 -2.4285 -1.9482 -1.9473 -1.1688 -1.1683 -0.6039 -0.6030 0.4532 0.4536 1.0919 1.0924 1.4948 1.4954 1.9320 1.9321 4.1404 4.1406 4.2204 4.2205 5.4297 5.4311 5.5628 5.5630 6.9731 6.9732 k = 0.3611 0.3611 0.2912 ( 14482 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -8.9752 -8.9752 -8.4672 -8.4672 -7.2197 -7.2197 -2.4529 -2.4528 -1.9598 -1.9589 -1.1170 -1.1165 -0.5450 -0.5441 0.4421 0.4425 1.0503 1.0508 1.5087 1.5092 1.9736 1.9736 4.0623 4.0625 4.1976 4.1978 5.3881 5.3894 5.5696 5.5699 6.9506 6.9508 k = 0.3519 0.3519 0.2912 ( 14486 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -9.0178 -9.0178 -8.4638 -8.4638 -7.1719 -7.1719 -2.4752 -2.4750 -1.9700 -1.9691 -1.0651 -1.0646 -0.4861 -0.4852 0.4304 0.4308 1.0067 1.0072 1.5242 1.5248 2.0167 2.0167 3.9794 3.9795 4.1780 4.1781 5.3539 5.3550 5.5714 5.5719 6.9292 6.9294 k = 0.3426 0.3426 0.2912 ( 14478 PWs) bands (ev): -43.7486 -43.7486 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -9.0602 -9.0602 -8.4603 -8.4602 -7.1240 -7.1240 -2.4954 -2.4953 -1.9790 -1.9781 -1.0132 -1.0126 -0.4277 -0.4268 0.4181 0.4185 0.9612 0.9617 1.5417 1.5422 2.0609 2.0610 3.8926 3.8926 4.1616 4.1618 5.3263 5.3274 5.5685 5.5691 6.9081 6.9083 k = 0.3333 0.3333 0.2912 ( 14492 PWs) bands (ev): -43.7486 -43.7486 -43.2588 -43.2588 -42.5719 -42.5719 -42.5718 -42.5718 -9.1022 -9.1022 -8.4567 -8.4566 -7.0760 -7.0760 -2.5136 -2.5135 -1.9866 -1.9857 -0.9612 -0.9606 -0.3703 -0.3694 0.4054 0.4058 0.9139 0.9144 1.5613 1.5619 2.1058 2.1060 3.8031 3.8031 4.1486 4.1489 5.3047 5.3057 5.5611 5.5618 6.8861 6.8864 k = 0.3241 0.3241 0.2912 ( 14504 PWs) bands (ev): -43.7486 -43.7486 -43.2588 -43.2588 -42.5720 -42.5720 -42.5718 -42.5718 -9.1438 -9.1438 -8.4530 -8.4529 -7.0281 -7.0281 -2.5297 -2.5296 -1.9929 -1.9920 -0.9093 -0.9086 -0.3146 -0.3136 0.3924 0.3927 0.8648 0.8653 1.5835 1.5841 2.1510 2.1512 3.7122 3.7124 4.1391 4.1395 5.2884 5.2893 5.5495 5.5504 6.8623 6.8627 k = 0.3148 0.3148 0.2912 ( 14504 PWs) bands (ev): -43.7486 -43.7486 -43.2588 -43.2588 -42.5720 -42.5720 -42.5718 -42.5718 -9.1848 -9.1848 -8.4492 -8.4491 -6.9803 -6.9803 -2.5436 -2.5434 -1.9978 -1.9969 -0.8574 -0.8567 -0.2612 -0.2601 0.3792 0.3795 0.8140 0.8145 1.6086 1.6092 2.1957 2.1959 3.6214 3.6216 4.1333 4.1337 5.2767 5.2775 5.5342 5.5352 6.8359 6.8363 k = 0.3056 0.3056 0.2912 ( 14504 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5718 -42.5718 -9.2253 -9.2252 -8.4453 -8.4453 -6.9328 -6.9327 -2.5552 -2.5550 -2.0014 -2.0005 -0.8056 -0.8049 -0.2108 -0.2098 0.3661 0.3664 0.7617 0.7621 1.6371 1.6376 2.2391 2.2393 3.5322 3.5325 4.1310 4.1316 5.2687 5.2694 5.5154 5.5165 6.8060 6.8065 k = 0.2963 0.2963 0.2912 ( 14510 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5718 -42.5718 -9.2650 -9.2650 -8.4415 -8.4414 -6.8855 -6.8854 -2.5645 -2.5643 -2.0038 -2.0028 -0.7540 -0.7533 -0.1644 -0.1633 0.3535 0.3537 0.7078 0.7082 1.6692 1.6697 2.2798 2.2801 3.4463 3.4468 4.1324 4.1330 5.2640 5.2646 5.4935 5.4947 6.7721 6.7727 k = 0.2870 0.2870 0.2912 ( 14502 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5718 -42.5718 -9.3040 -9.3040 -8.4376 -8.4375 -6.8386 -6.8385 -2.5714 -2.5712 -2.0048 -2.0039 -0.7027 -0.7019 -0.1230 -0.1218 0.3420 0.3421 0.6525 0.6529 1.7054 1.7058 2.3162 2.3165 3.3661 3.3666 4.1373 4.1380 5.2618 5.2623 5.4687 5.4701 6.7340 6.7346 k = 0.2778 0.2778 0.2912 ( 14502 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5718 -42.5718 -9.3422 -9.3421 -8.4337 -8.4336 -6.7921 -6.7920 -2.5760 -2.5758 -2.0046 -2.0036 -0.6516 -0.6507 -0.0876 -0.0862 0.3324 0.3324 0.5957 0.5962 1.7459 1.7463 2.3460 2.3463 3.2941 3.2947 4.1458 4.1466 5.2616 5.2621 5.4414 5.4430 6.6918 6.6924 k = 0.2685 0.2685 0.2912 ( 14496 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5718 -42.5718 -9.3795 -9.3795 -8.4298 -8.4297 -6.7461 -6.7460 -2.5781 -2.5779 -2.0031 -2.0022 -0.6008 -0.5999 -0.0594 -0.0579 0.3253 0.3255 0.5377 0.5382 1.7911 1.7914 2.3663 2.3666 3.2336 3.2343 4.1576 4.1585 5.2630 5.2633 5.4118 5.4134 6.6458 6.6464 k = 0.2593 0.2593 0.2912 ( 14490 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5720 -42.5720 -42.5718 -42.5718 -9.4159 -9.4159 -8.4259 -8.4258 -6.7006 -6.7006 -2.5777 -2.5776 -2.0005 -1.9995 -0.5504 -0.5495 -0.0395 -0.0380 0.3218 0.3221 0.4785 0.4789 1.8411 1.8414 2.3739 2.3742 3.1881 3.1889 4.1727 4.1736 5.2653 5.2656 5.3799 5.3817 6.5966 6.5972 k = 0.2500 0.2500 0.2912 ( 14482 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5721 -42.5721 -42.5718 -42.5718 -9.4514 -9.4514 -8.4220 -8.4220 -6.6558 -6.6558 -2.5749 -2.5747 -1.9966 -1.9957 -0.5006 -0.4997 -0.0287 -0.0271 0.3226 0.3230 0.4181 0.4186 1.8959 1.8962 2.3661 2.3664 3.1604 3.1613 4.1908 4.1919 5.2682 5.2684 5.3460 5.3478 6.5449 6.5455 k = 0.2407 0.2407 0.2912 ( 14492 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5721 -42.5721 -42.5718 -42.5718 -9.4859 -9.4859 -8.4183 -8.4182 -6.6117 -6.6116 -2.5695 -2.5694 -1.9917 -1.9907 -0.4515 -0.4505 -0.0269 -0.0252 0.3277 0.3282 0.3568 0.3573 1.9556 1.9559 2.3419 2.3424 3.1518 3.1527 4.2118 4.2129 5.2711 5.2714 5.3101 5.3120 6.4915 6.4921 k = 0.2315 0.2315 0.2912 ( 14500 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5721 -42.5721 -42.5718 -42.5718 -9.5194 -9.5194 -8.4145 -8.4145 -6.5684 -6.5683 -2.5617 -2.5615 -1.9856 -1.9846 -0.4033 -0.4022 -0.0335 -0.0317 0.2947 0.2952 0.3365 0.3371 2.0201 2.0202 2.3029 2.3034 3.1609 3.1618 4.2354 4.2366 5.2714 5.2739 5.2744 5.2748 6.4372 6.4379 k = 0.2222 0.2222 0.2912 ( 14504 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5721 -42.5721 -42.5718 -42.5718 -9.5518 -9.5518 -8.4109 -8.4108 -6.5258 -6.5258 -2.5512 -2.5511 -1.9784 -1.9775 -0.3564 -0.3552 -0.0471 -0.0453 0.2323 0.2329 0.3479 0.3485 2.0890 2.0891 2.2520 2.2525 3.1848 3.1858 4.2612 4.2625 5.2326 5.2347 5.2760 5.2761 6.3830 6.3836 k = 0.2130 0.2130 0.2912 ( 14518 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5721 -42.5721 -42.5718 -42.5718 -9.5832 -9.5831 -8.4073 -8.4073 -6.4842 -6.4841 -2.5383 -2.5381 -1.9702 -1.9693 -0.3115 -0.3102 -0.0664 -0.0647 0.1702 0.1708 0.3608 0.3615 2.1622 2.1622 2.1926 2.1932 3.2202 3.2212 4.2889 4.2903 5.1913 5.1934 5.2770 5.2771 6.3295 6.3300 k = 0.2037 0.2037 0.2912 ( 14518 PWs) bands (ev): -43.7487 -43.7487 -43.2589 -43.2589 -42.5721 -42.5721 -42.5718 -42.5718 -9.6134 -9.6133 -8.4039 -8.4038 -6.4435 -6.4435 -2.5227 -2.5225 -1.9611 -1.9601 -0.2699 -0.2685 -0.0903 -0.0886 0.1097 0.1105 0.3745 0.3752 2.1279 2.1286 2.2392 2.2392 3.2641 3.2651 4.3182 4.3197 5.1484 5.1506 5.2767 5.2768 6.2774 6.2779 k = 0.1944 0.1944 0.2912 ( 14516 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5721 -42.5721 -42.5718 -42.5718 -9.6424 -9.6424 -8.4005 -8.4005 -6.4039 -6.4039 -2.5046 -2.5044 -1.9510 -1.9500 -0.2350 -0.2333 -0.1176 -0.1160 0.0542 0.0551 0.3883 0.3889 2.0603 2.0609 2.3196 2.3196 3.3141 3.3151 4.3486 4.3502 5.1042 5.1064 5.2747 5.2748 6.2275 6.2279 k = 0.1852 0.1852 0.2912 ( 14528 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5722 -42.5722 -42.5718 -42.5718 -9.6703 -9.6703 -8.3973 -8.3972 -6.3654 -6.3654 -2.4840 -2.4838 -1.9400 -1.9391 -0.2142 -0.2124 -0.1477 -0.1461 0.0113 0.0123 0.4018 0.4024 1.9913 1.9920 2.4030 2.4031 3.3685 3.3695 4.3794 4.3811 5.0590 5.0612 5.2707 5.2710 6.1802 6.1806 k = 0.1759 0.1759 0.2912 ( 14524 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5722 -42.5722 -42.5718 -42.5718 -9.6969 -9.6969 -8.3942 -8.3941 -6.3282 -6.3281 -2.4607 -2.4606 -1.9282 -1.9273 -0.2206 -0.2191 -0.1798 -0.1783 -0.0057 -0.0049 0.4147 0.4153 1.9223 1.9230 2.4889 2.4891 3.4262 3.4272 4.4102 4.4120 5.0131 5.0153 5.2646 5.2649 6.1361 6.1364 k = 0.1667 0.1667 0.2912 ( 14530 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5722 -42.5722 -42.5718 -42.5718 -9.7224 -9.7223 -8.3912 -8.3912 -6.2921 -6.2921 -2.4350 -2.4349 -1.9157 -1.9147 -0.2578 -0.2566 -0.2136 -0.2121 0.0067 0.0070 0.4271 0.4277 1.8540 1.8548 2.5770 2.5771 3.4862 3.4872 4.4401 4.4420 4.9669 4.9691 5.2561 5.2565 6.0956 6.0958 k = 0.1574 0.1574 0.2912 ( 14526 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5722 -42.5722 -42.5718 -42.5718 -9.7465 -9.7465 -8.3884 -8.3883 -6.2575 -6.2574 -2.4068 -2.4066 -1.9024 -1.9015 -0.3134 -0.3126 -0.2484 -0.2470 0.0360 0.0360 0.4388 0.4394 1.7872 1.7880 2.6666 2.6668 3.5478 3.5489 4.4683 4.4704 4.9210 4.9231 5.2451 5.2455 6.0591 6.0592 k = 0.1481 0.1481 0.2912 ( 14530 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5722 -42.5722 -42.5718 -42.5718 -9.7694 -9.7694 -8.3857 -8.3856 -6.2242 -6.2242 -2.3761 -2.3759 -1.8885 -1.8876 -0.3777 -0.3771 -0.2841 -0.2827 0.0721 0.0724 0.4498 0.4504 1.7222 1.7231 2.7574 2.7576 3.6107 3.6118 4.4938 4.4959 4.8761 4.8782 5.2314 5.2318 6.0270 6.0271 k = 0.1389 0.1389 0.2912 ( 14526 PWs) bands (ev): -43.7488 -43.7488 -43.2589 -43.2589 -42.5722 -42.5722 -42.5718 -42.5718 -9.7910 -9.7910 -8.3831 -8.3831 -6.1925 -6.1925 -2.3429 -2.3428 -1.8741 -1.8732 -0.4463 -0.4458 -0.3201 -0.3187 0.1111 0.1115 0.4602 0.4608 1.6593 1.6602 2.8488 2.8491 3.6744 3.6755 4.5153 4.5175 4.8331 4.8351 5.2148 5.2153 5.9996 5.9997 k = 0.1296 0.1296 0.2912 ( 14530 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5718 -42.5718 -9.8113 -9.8113 -8.3808 -8.3807 -6.1624 -6.1623 -2.3073 -2.3072 -1.8593 -1.8584 -0.5172 -0.5168 -0.3561 -0.3548 0.1510 0.1515 0.4701 0.4706 1.5988 1.5997 2.9405 2.9408 3.7386 3.7397 4.5312 4.5334 4.7932 4.7951 5.1954 5.1960 5.9772 5.9775 k = 0.1204 0.1204 0.2912 ( 14528 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5718 -42.5718 -9.8302 -9.8302 -8.3785 -8.3785 -6.1339 -6.1339 -2.2694 -2.2693 -1.8441 -1.8432 -0.5894 -0.5891 -0.3919 -0.3906 0.1910 0.1916 0.4793 0.4798 1.5407 1.5417 3.0319 3.0323 3.8030 3.8041 4.5397 4.5419 4.7579 4.7596 5.1732 5.1737 5.9602 5.9606 k = 0.1111 0.1111 0.2912 ( 14528 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5718 -42.5718 -9.8479 -9.8478 -8.3765 -8.3764 -6.1072 -6.1071 -2.2293 -2.2291 -1.8288 -1.8280 -0.6624 -0.6621 -0.4271 -0.4259 0.2306 0.2313 0.4880 0.4885 1.4853 1.4863 3.1226 3.1230 3.8674 3.8685 4.5392 4.5411 4.7286 4.7300 5.1480 5.1486 5.9488 5.9493 k = 0.1019 0.1019 0.2912 ( 14528 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5718 -42.5718 -9.8641 -9.8641 -8.3745 -8.3745 -6.0823 -6.0823 -2.1869 -2.1868 -1.8135 -1.8126 -0.7357 -0.7355 -0.4613 -0.4602 0.2695 0.2701 0.4962 0.4966 1.4327 1.4336 3.2121 3.2126 3.9317 3.9328 4.5290 4.5306 4.7058 4.7067 5.1200 5.1207 5.9430 5.9435 k = 0.0926 0.0926 0.2912 ( 14520 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5719 -42.5719 -9.8790 -9.8790 -8.3728 -8.3728 -6.0593 -6.0592 -2.1424 -2.1423 -1.7982 -1.7975 -0.8091 -0.8089 -0.4943 -0.4932 0.3072 0.3079 0.5038 0.5042 1.3828 1.3837 3.2999 3.3004 3.9955 3.9966 4.5108 4.5120 4.6877 4.6881 5.0893 5.0901 5.9425 5.9431 k = 0.0833 0.0833 0.2912 ( 14512 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5722 -42.5722 -42.5718 -42.5718 -9.8925 -9.8925 -8.3712 -8.3712 -6.0383 -6.0382 -2.0960 -2.0959 -1.7834 -1.7826 -0.8821 -0.8819 -0.5257 -0.5247 0.3437 0.3444 0.5108 0.5112 1.3359 1.3368 3.3854 3.3860 4.0588 4.0599 4.4877 4.4885 4.6713 4.6713 5.0561 5.0568 5.9471 5.9477 k = 0.0741 0.0741 0.2912 ( 14502 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5718 -42.5718 -9.9046 -9.9046 -8.3698 -8.3698 -6.0192 -6.0192 -2.0478 -2.0477 -1.7691 -1.7684 -0.9545 -0.9543 -0.5551 -0.5542 0.3785 0.3792 0.5172 0.5175 1.2920 1.2929 3.4681 3.4686 4.1213 4.1224 4.4625 4.4631 4.6538 4.6540 5.0204 5.0211 5.9560 5.9566 k = 0.0648 0.0648 0.2912 ( 14504 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5718 -42.5718 -9.9153 -9.9153 -8.3685 -8.3685 -6.0023 -6.0023 -1.9980 -1.9979 -1.7555 -1.7549 -1.0258 -1.0257 -0.5823 -0.5815 0.4114 0.4121 0.5230 0.5233 1.2515 1.2523 3.5470 3.5476 4.1828 4.1838 4.4376 4.4380 4.6341 4.6346 4.9825 4.9833 5.9683 5.9689 k = 0.0556 0.0556 0.2912 ( 14496 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5718 -42.5718 -9.9246 -9.9246 -8.3675 -8.3674 -5.9875 -5.9875 -1.9470 -1.9470 -1.7430 -1.7425 -1.0957 -1.0957 -0.6068 -0.6060 0.4421 0.4427 0.5281 0.5283 1.2145 1.2153 3.6214 3.6220 4.2429 4.2439 4.4143 4.4146 4.6121 4.6126 4.9428 4.9436 5.9829 5.9834 k = 0.0463 0.0463 0.2912 ( 14516 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5719 -42.5719 -9.9325 -9.9325 -8.3665 -8.3665 -5.9749 -5.9749 -1.8954 -1.8953 -1.7318 -1.7313 -1.1636 -1.1635 -0.6282 -0.6276 0.4699 0.4705 0.5325 0.5327 1.1815 1.1822 3.6901 3.6907 4.3011 4.3021 4.3936 4.3939 4.5880 4.5885 4.9017 4.9025 5.9984 5.9989 k = 0.0370 0.0370 0.2912 ( 14504 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5718 -42.5718 -9.9389 -9.9389 -8.3658 -8.3658 -5.9645 -5.9645 -1.8440 -1.8440 -1.7222 -1.7218 -1.2283 -1.2282 -0.6464 -0.6459 0.4943 0.4948 0.5361 0.5363 1.1530 1.1536 3.7516 3.7521 4.3568 4.3577 4.3762 4.3764 4.5631 4.5636 4.8601 4.8609 6.0137 6.0141 k = 0.0278 0.0278 0.2912 ( 14486 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5718 -42.5718 -9.9439 -9.9439 -8.3652 -8.3652 -5.9564 -5.9564 -1.7945 -1.7945 -1.7144 -1.7141 -1.2882 -1.2882 -0.6608 -0.6604 0.5145 0.5149 0.5390 0.5391 1.1297 1.1302 3.8038 3.8042 4.3622 4.3624 4.4087 4.4095 4.5394 4.5398 4.8192 4.8200 6.0272 6.0275 k = 0.0185 0.0185 0.2912 ( 14486 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5718 -42.5718 -9.9475 -9.9475 -8.3648 -8.3648 -5.9506 -5.9506 -1.7500 -1.7500 -1.7086 -1.7084 -1.3402 -1.3401 -0.6713 -0.6711 0.5298 0.5301 0.5412 0.5412 1.1123 1.1126 3.8442 3.8446 4.3522 4.3524 4.4539 4.4546 4.5192 4.5195 4.7818 4.7825 6.0379 6.0381 k = 0.0093 0.0093 0.2912 ( 14498 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5718 -42.5718 -9.9497 -9.9497 -8.3645 -8.3645 -5.9471 -5.9471 -1.7168 -1.7168 -1.7050 -1.7049 -1.3779 -1.3779 -0.6777 -0.6776 0.5391 0.5393 0.5427 0.5427 1.1015 1.1017 3.8701 3.8703 4.3462 4.3463 4.4874 4.4878 4.5055 4.5056 4.7532 4.7536 6.0448 6.0449 k = 0.0000 0.0000 0.2912 ( 14508 PWs) bands (ev): -43.7489 -43.7489 -43.2589 -43.2589 -42.5723 -42.5723 -42.5719 -42.5719 -9.9504 -9.9504 -8.3645 -8.3645 -5.9459 -5.9459 -1.7044 -1.7044 -1.7033 -1.7033 -1.3924 -1.3924 -0.6798 -0.6798 0.5418 0.5418 0.5438 0.5438 1.0979 1.0979 3.8791 3.8791 4.3442 4.3442 4.4994 4.4994 4.5018 4.5018 4.7420 4.7420 6.0472 6.0472 k = 0.0000 0.5000-0.0000 ( 14522 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3109 -9.3109 -8.6329 -8.6329 -6.6557 -6.6557 -2.4734 -2.4734 -1.4460 -1.4460 -0.9451 -0.9451 -0.4969 -0.4969 0.1902 0.1902 0.8741 0.8741 1.3793 1.3793 3.1697 3.1697 3.3633 3.3633 4.6918 4.6918 4.9703 4.9703 5.1841 5.1841 6.7524 6.7524 k = 0.0000 0.5000 0.0127 ( 14528 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3109 -9.3109 -8.6329 -8.6329 -6.6557 -6.6557 -2.4737 -2.4737 -1.4466 -1.4466 -0.9450 -0.9450 -0.4953 -0.4953 0.1918 0.1918 0.8741 0.8741 1.3792 1.3792 3.1650 3.1650 3.3584 3.3584 4.6957 4.6957 4.9752 4.9752 5.1834 5.1834 6.7535 6.7535 k = 0.0000 0.5000 0.0253 ( 14528 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3108 -9.3108 -8.6329 -8.6329 -6.6558 -6.6558 -2.4745 -2.4745 -1.4484 -1.4484 -0.9449 -0.9449 -0.4905 -0.4905 0.1964 0.1964 0.8743 0.8743 1.3788 1.3788 3.1510 3.1510 3.3438 3.3438 4.7069 4.7069 4.9895 4.9895 5.1814 5.1814 6.7566 6.7566 k = 0.0000 0.5000 0.0380 ( 14528 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3108 -9.3108 -8.6329 -8.6329 -6.6560 -6.6560 -2.4759 -2.4759 -1.4513 -1.4513 -0.9447 -0.9447 -0.4826 -0.4826 0.2042 0.2042 0.8746 0.8746 1.3782 1.3782 3.1284 3.1284 3.3204 3.3204 4.7250 4.7250 5.0129 5.0129 5.1781 5.1781 6.7619 6.7619 k = 0.0000 0.5000 0.0507 ( 14528 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3108 -9.3108 -8.6329 -8.6329 -6.6562 -6.6562 -2.4778 -2.4778 -1.4553 -1.4553 -0.9445 -0.9445 -0.4719 -0.4719 0.2149 0.2149 0.8749 0.8749 1.3773 1.3773 3.0978 3.0978 3.2890 3.2890 4.7488 4.7488 5.0445 5.0445 5.1735 5.1735 6.7691 6.7691 k = 0.0000 0.5000 0.0633 ( 14544 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3108 -9.3108 -8.6329 -8.6329 -6.6564 -6.6564 -2.4801 -2.4801 -1.4601 -1.4601 -0.9442 -0.9442 -0.4584 -0.4584 0.2285 0.2285 0.8753 0.8753 1.3763 1.3763 3.0604 3.0604 3.2510 3.2510 4.7773 4.7773 5.0833 5.0833 5.1679 5.1679 6.7783 6.7783 k = 0.0000 0.5000 0.0760 ( 14540 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3107 -9.3107 -8.6329 -8.6329 -6.6568 -6.6568 -2.4829 -2.4829 -1.4657 -1.4657 -0.9438 -0.9438 -0.4424 -0.4424 0.2449 0.2449 0.8759 0.8759 1.3750 1.3750 3.0172 3.0172 3.2076 3.2076 4.8091 4.8091 5.1284 5.1284 5.1612 5.1612 6.7893 6.7893 k = 0.0000 0.5000 0.0886 ( 14526 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3107 -9.3107 -8.6328 -8.6328 -6.6571 -6.6571 -2.4860 -2.4860 -1.4719 -1.4719 -0.9434 -0.9434 -0.4243 -0.4243 0.2637 0.2637 0.8765 0.8765 1.3736 1.3736 2.9693 2.9693 3.1601 3.1601 4.8433 4.8433 5.1537 5.1537 5.1788 5.1788 6.8021 6.8021 k = 0.0000 0.5000 0.1013 ( 14532 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3106 -9.3106 -8.6328 -8.6328 -6.6575 -6.6575 -2.4895 -2.4895 -1.4785 -1.4785 -0.9429 -0.9429 -0.4044 -0.4044 0.2849 0.2849 0.8771 0.8771 1.3720 1.3720 2.9178 2.9178 3.1096 3.1096 4.8788 4.8788 5.1455 5.1455 5.2334 5.2334 6.8195 6.8195 k = 0.0000 0.5000 0.1140 ( 14524 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3106 -9.3106 -8.6328 -8.6328 -6.6579 -6.6579 -2.4931 -2.4931 -1.4855 -1.4855 -0.9425 -0.9425 -0.3829 -0.3829 0.3081 0.3081 0.8778 0.8778 1.3703 1.3703 2.8637 2.8637 3.0574 3.0574 4.9146 4.9146 5.1367 5.1367 5.2914 5.2914 6.8010 6.8010 k = 0.0000 0.5000 0.1266 ( 14516 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3105 -9.3105 -8.6328 -8.6328 -6.6584 -6.6584 -2.4969 -2.4969 -1.4925 -1.4925 -0.9419 -0.9419 -0.3603 -0.3603 0.3330 0.3330 0.8785 0.8785 1.3685 1.3685 2.8080 2.8080 3.0042 3.0042 4.9500 4.9500 5.1276 5.1276 5.3520 5.3520 6.7802 6.7802 k = 0.0000 0.5000 0.1393 ( 14524 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3104 -9.3104 -8.6328 -8.6328 -6.6588 -6.6588 -2.5008 -2.5008 -1.4996 -1.4996 -0.9414 -0.9414 -0.3370 -0.3370 0.3594 0.3594 0.8793 0.8793 1.3667 1.3667 2.7515 2.7515 2.9512 2.9512 4.9844 4.9844 5.1183 5.1183 5.4144 5.4144 6.7569 6.7569 k = 0.0000 0.5000 0.1520 ( 14522 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3104 -9.3104 -8.6328 -8.6328 -6.6593 -6.6593 -2.5048 -2.5048 -1.5065 -1.5065 -0.9409 -0.9409 -0.3133 -0.3133 0.3868 0.3868 0.8801 0.8801 1.3648 1.3648 2.6953 2.6953 2.8990 2.8990 5.0173 5.0173 5.1090 5.1090 5.4781 5.4781 6.7312 6.7312 k = 0.0000 0.5000 0.1646 ( 14508 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3103 -9.3103 -8.6328 -8.6328 -6.6597 -6.6597 -2.5086 -2.5086 -1.5132 -1.5132 -0.9403 -0.9403 -0.2897 -0.2897 0.4148 0.4148 0.8808 0.8808 1.3630 1.3630 2.6399 2.6399 2.8485 2.8485 5.0482 5.0482 5.0999 5.0999 5.5423 5.5423 6.7031 6.7031 k = 0.0000 0.5000 0.1773 ( 14486 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3102 -9.3102 -8.6327 -8.6327 -6.6602 -6.6602 -2.5123 -2.5123 -1.5195 -1.5195 -0.9398 -0.9398 -0.2665 -0.2665 0.4428 0.4428 0.8816 0.8816 1.3612 1.3612 2.5864 2.5864 2.8003 2.8003 5.0768 5.0768 5.0912 5.0912 5.6065 5.6065 6.6727 6.6727 k = 0.0000 0.5000 0.1899 ( 14490 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3102 -9.3102 -8.6327 -8.6327 -6.6606 -6.6606 -2.5158 -2.5158 -1.5254 -1.5254 -0.9393 -0.9393 -0.2443 -0.2443 0.4705 0.4705 0.8823 0.8823 1.3595 1.3595 2.5354 2.5354 2.7552 2.7552 5.0827 5.0827 5.1029 5.1029 5.6702 5.6702 6.6402 6.6402 k = 0.0000 0.5000 0.2026 ( 14496 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3101 -9.3101 -8.6327 -8.6327 -6.6610 -6.6610 -2.5191 -2.5191 -1.5307 -1.5307 -0.9389 -0.9389 -0.2234 -0.2234 0.4971 0.4971 0.8829 0.8829 1.3580 1.3580 2.4877 2.4877 2.7136 2.7136 5.0751 5.0751 5.1262 5.1262 5.7328 5.7328 6.6059 6.6059 k = 0.0000 0.5000 0.2153 ( 14488 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3101 -9.3101 -8.6327 -8.6327 -6.6613 -6.6613 -2.5220 -2.5220 -1.5355 -1.5355 -0.9384 -0.9384 -0.2043 -0.2043 0.5220 0.5220 0.8835 0.8835 1.3565 1.3565 2.4442 2.4442 2.6763 2.6763 5.0681 5.0681 5.1466 5.1466 5.7935 5.7935 6.5700 6.5700 k = 0.0000 0.5000 0.2279 ( 14488 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3100 -9.3100 -8.6327 -8.6327 -6.6616 -6.6616 -2.5246 -2.5246 -1.5396 -1.5396 -0.9381 -0.9381 -0.1873 -0.1873 0.5447 0.5447 0.8841 0.8841 1.3553 1.3553 2.4057 2.4057 2.6438 2.6438 5.0621 5.0621 5.1640 5.1640 5.8515 5.8515 6.5334 6.5334 k = 0.0000 0.5000 0.2406 ( 14506 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3100 -9.3100 -8.6327 -8.6327 -6.6619 -6.6619 -2.5267 -2.5267 -1.5430 -1.5430 -0.9378 -0.9378 -0.1728 -0.1728 0.5644 0.5644 0.8845 0.8845 1.3542 1.3542 2.3729 2.3729 2.6164 2.6164 5.0570 5.0570 5.1784 5.1784 5.9056 5.9056 6.4971 6.4971 k = 0.0000 0.5000 0.2533 ( 14502 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3100 -9.3100 -8.6327 -8.6327 -6.6621 -6.6621 -2.5285 -2.5285 -1.5457 -1.5457 -0.9375 -0.9375 -0.1612 -0.1612 0.5805 0.5805 0.8849 0.8849 1.3534 1.3534 2.3465 2.3465 2.5947 2.5947 5.0529 5.0529 5.1895 5.1895 5.9539 5.9539 6.4628 6.4628 k = 0.0000 0.5000 0.2659 ( 14504 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3100 -9.3100 -8.6327 -8.6327 -6.6623 -6.6623 -2.5297 -2.5297 -1.5476 -1.5476 -0.9373 -0.9373 -0.1527 -0.1527 0.5925 0.5925 0.8851 0.8851 1.3528 1.3528 2.3272 2.3272 2.5789 2.5789 5.0500 5.0500 5.1976 5.1976 5.9935 5.9935 6.4332 6.4332 k = 0.0000 0.5000 0.2786 ( 14520 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3099 -9.3099 -8.6327 -8.6327 -6.6624 -6.6624 -2.5305 -2.5305 -1.5488 -1.5488 -0.9372 -0.9372 -0.1475 -0.1475 0.5998 0.5998 0.8853 0.8853 1.3524 1.3524 2.3153 2.3153 2.5693 2.5693 5.0482 5.0482 5.2024 5.2024 6.0204 6.0204 6.4123 6.4123 k = 0.0000 0.5000 0.2912 ( 14520 PWs) bands (ev): -43.7486 -43.7486 -43.2589 -43.2589 -42.5720 -42.5720 -42.5719 -42.5719 -9.3099 -9.3099 -8.6327 -8.6327 -6.6624 -6.6624 -2.5307 -2.5307 -1.5492 -1.5492 -0.9372 -0.9372 -0.1457 -0.1457 0.6023 0.6023 0.8853 0.8853 1.3523 1.3523 2.3114 2.3114 2.5661 2.5661 5.0476 5.0476 5.2040 5.2040 6.0300 6.0300 6.4046 6.4046 k = 0.5000 0.5000-0.0000 ( 14476 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4946 -8.4946 -8.4945 -8.4945 -7.7353 -7.7353 -2.0007 -2.0007 -1.7343 -1.7343 -1.7341 -1.7341 -1.1741 -1.1741 0.4684 0.4684 1.2449 1.2449 1.2456 1.2456 1.7494 1.7494 4.7198 4.7198 5.0380 5.0380 5.0384 5.0384 6.3933 6.3933 6.9179 6.9179 k = 0.5000 0.5000 0.0127 ( 14476 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4946 -8.4946 -8.4945 -8.4945 -7.7353 -7.7353 -2.0008 -2.0008 -1.7344 -1.7344 -1.7342 -1.7342 -1.1740 -1.1740 0.4687 0.4687 1.2456 1.2456 1.2463 1.2463 1.7487 1.7487 4.7219 4.7219 5.0359 5.0359 5.0363 5.0363 6.3929 6.3929 6.9184 6.9184 k = 0.5000 0.5000 0.0253 ( 14452 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4946 -8.4946 -8.4945 -8.4945 -7.7353 -7.7353 -2.0011 -2.0011 -1.7347 -1.7347 -1.7345 -1.7345 -1.1737 -1.1737 0.4696 0.4696 1.2478 1.2478 1.2485 1.2485 1.7466 1.7466 4.7281 4.7281 5.0295 5.0295 5.0299 5.0299 6.3917 6.3917 6.9197 6.9197 k = 0.5000 0.5000 0.0380 ( 14448 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4946 -8.4946 -8.4945 -8.4945 -7.7353 -7.7353 -2.0016 -2.0016 -1.7352 -1.7352 -1.7351 -1.7351 -1.1733 -1.1733 0.4710 0.4710 1.2513 1.2513 1.2520 1.2520 1.7432 1.7432 4.7385 4.7385 5.0191 5.0191 5.0195 5.0195 6.3898 6.3898 6.9218 6.9218 k = 0.5000 0.5000 0.0507 ( 14472 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4946 -8.4946 -8.4945 -8.4945 -7.7353 -7.7353 -2.0022 -2.0022 -1.7360 -1.7360 -1.7358 -1.7358 -1.1728 -1.1728 0.4730 0.4730 1.2562 1.2562 1.2569 1.2569 1.7385 1.7385 4.7528 4.7528 5.0048 5.0048 5.0052 5.0052 6.3871 6.3871 6.9248 6.9248 k = 0.5000 0.5000 0.0633 ( 14444 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4946 -8.4946 -8.4945 -8.4945 -7.7353 -7.7353 -2.0031 -2.0031 -1.7369 -1.7369 -1.7368 -1.7368 -1.1721 -1.1721 0.4755 0.4755 1.2623 1.2623 1.2630 1.2630 1.7326 1.7326 4.7708 4.7708 4.9870 4.9870 4.9874 4.9874 6.3837 6.3837 6.9285 6.9285 k = 0.5000 0.5000 0.0760 ( 14464 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4946 -8.4946 -8.4945 -8.4945 -7.7353 -7.7353 -2.0041 -2.0041 -1.7380 -1.7380 -1.7379 -1.7379 -1.1712 -1.1712 0.4784 0.4784 1.2696 1.2696 1.2703 1.2703 1.7257 1.7257 4.7923 4.7923 4.9661 4.9661 4.9665 4.9665 6.3798 6.3798 6.9329 6.9329 k = 0.5000 0.5000 0.0886 ( 14464 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4946 -8.4946 -8.4945 -8.4945 -7.7353 -7.7353 -2.0052 -2.0052 -1.7393 -1.7393 -1.7391 -1.7391 -1.1703 -1.1703 0.4818 0.4818 1.2780 1.2780 1.2787 1.2787 1.7179 1.7179 4.8170 4.8170 4.9426 4.9426 4.9430 4.9430 6.3754 6.3754 6.9379 6.9379 k = 0.5000 0.5000 0.1013 ( 14472 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4946 -8.4946 -8.4945 -8.4945 -7.7353 -7.7353 -2.0065 -2.0065 -1.7406 -1.7406 -1.7405 -1.7405 -1.1692 -1.1692 0.4855 0.4855 1.2872 1.2872 1.2879 1.2879 1.7094 1.7094 4.8446 4.8446 4.9169 4.9169 4.9173 4.9173 6.3705 6.3705 6.9434 6.9434 k = 0.5000 0.5000 0.1140 ( 14492 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4946 -8.4946 -8.4945 -8.4945 -7.7353 -7.7353 -2.0078 -2.0078 -1.7421 -1.7421 -1.7420 -1.7420 -1.1681 -1.1681 0.4895 0.4895 1.2972 1.2972 1.2979 1.2979 1.7004 1.7004 4.8746 4.8746 4.8895 4.8895 4.8899 4.8899 6.3653 6.3653 6.9493 6.9493 k = 0.5000 0.5000 0.1266 ( 14492 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4947 -8.4947 -8.4945 -8.4945 -7.7353 -7.7353 -2.0092 -2.0092 -1.7437 -1.7437 -1.7435 -1.7435 -1.1669 -1.1669 0.4936 0.4936 1.3078 1.3078 1.3085 1.3085 1.6910 1.6910 4.8610 4.8610 4.8614 4.8614 4.9066 4.9066 6.3599 6.3599 6.9555 6.9555 k = 0.5000 0.5000 0.1393 ( 14504 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4947 -8.4947 -8.4946 -8.4946 -7.7353 -7.7353 -2.0106 -2.0106 -1.7452 -1.7452 -1.7451 -1.7451 -1.1657 -1.1657 0.4979 0.4979 1.3188 1.3188 1.3195 1.3195 1.6814 1.6814 4.8320 4.8320 4.8324 4.8324 4.9401 4.9401 6.3544 6.3544 6.9619 6.9619 k = 0.5000 0.5000 0.1520 ( 14488 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4947 -8.4947 -8.4946 -8.4946 -7.7353 -7.7353 -2.0121 -2.0121 -1.7468 -1.7468 -1.7467 -1.7467 -1.1645 -1.1645 0.5023 0.5023 1.3300 1.3300 1.3307 1.3307 1.6718 1.6718 4.8029 4.8029 4.8033 4.8033 4.9745 4.9745 6.3489 6.3489 6.9685 6.9685 k = 0.5000 0.5000 0.1646 ( 14468 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4947 -8.4947 -8.4946 -8.4946 -7.7353 -7.7353 -2.0135 -2.0135 -1.7484 -1.7484 -1.7482 -1.7482 -1.1633 -1.1633 0.5066 0.5066 1.3412 1.3412 1.3419 1.3419 1.6624 1.6624 4.7744 4.7744 4.7747 4.7747 5.0094 5.0094 6.3434 6.3434 6.9750 6.9750 k = 0.5000 0.5000 0.1773 ( 14468 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4947 -8.4947 -8.4946 -8.4946 -7.7353 -7.7353 -2.0149 -2.0149 -1.7499 -1.7499 -1.7498 -1.7498 -1.1621 -1.1621 0.5108 0.5108 1.3522 1.3522 1.3529 1.3529 1.6534 1.6534 4.7468 4.7468 4.7472 4.7472 5.0440 5.0440 6.3381 6.3381 6.9814 6.9814 k = 0.5000 0.5000 0.1899 ( 14484 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4947 -8.4947 -8.4946 -8.4946 -7.7353 -7.7353 -2.0162 -2.0162 -1.7514 -1.7514 -1.7512 -1.7512 -1.1609 -1.1609 0.5147 0.5147 1.3627 1.3627 1.3635 1.3635 1.6448 1.6448 4.7207 4.7207 4.7210 4.7210 5.0777 5.0777 6.3331 6.3331 6.9875 6.9875 k = 0.5000 0.5000 0.2026 ( 14500 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4947 -8.4947 -8.4946 -8.4946 -7.7353 -7.7353 -2.0174 -2.0174 -1.7527 -1.7527 -1.7526 -1.7526 -1.1599 -1.1599 0.5185 0.5185 1.3726 1.3726 1.3734 1.3734 1.6369 1.6369 4.6965 4.6965 4.6968 4.6968 5.1098 5.1098 6.3285 6.3285 6.9933 6.9933 k = 0.5000 0.5000 0.2153 ( 14500 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4947 -8.4947 -8.4946 -8.4946 -7.7353 -7.7353 -2.0185 -2.0185 -1.7539 -1.7539 -1.7538 -1.7538 -1.1589 -1.1589 0.5218 0.5218 1.3817 1.3817 1.3824 1.3824 1.6298 1.6298 4.6746 4.6746 4.6750 4.6750 5.1396 5.1396 6.3242 6.3242 6.9986 6.9986 k = 0.5000 0.5000 0.2279 ( 14488 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4948 -8.4948 -8.4946 -8.4946 -7.7353 -7.7353 -2.0195 -2.0195 -1.7550 -1.7550 -1.7548 -1.7548 -1.1580 -1.1580 0.5248 0.5248 1.3897 1.3897 1.3905 1.3905 1.6235 1.6235 4.6555 4.6555 4.6558 4.6558 5.1664 5.1664 6.3205 6.3205 7.0033 7.0033 k = 0.5000 0.5000 0.2406 ( 14496 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4948 -8.4948 -8.4947 -8.4947 -7.7352 -7.7352 -2.0203 -2.0203 -1.7559 -1.7559 -1.7558 -1.7558 -1.1573 -1.1573 0.5273 0.5273 1.3966 1.3966 1.3973 1.3973 1.6183 1.6183 4.6394 4.6394 4.6397 4.6397 5.1894 5.1894 6.3174 6.3174 7.0073 7.0073 k = 0.5000 0.5000 0.2533 ( 14512 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4948 -8.4948 -8.4947 -8.4947 -7.7352 -7.7352 -2.0210 -2.0210 -1.7566 -1.7566 -1.7565 -1.7565 -1.1567 -1.1567 0.5293 0.5293 1.4020 1.4020 1.4028 1.4028 1.6141 1.6141 4.6265 4.6265 4.6269 4.6269 5.2081 5.2081 6.3149 6.3149 7.0105 7.0105 k = 0.5000 0.5000 0.2659 ( 14512 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4948 -8.4948 -8.4947 -8.4947 -7.7352 -7.7352 -2.0214 -2.0214 -1.7571 -1.7571 -1.7570 -1.7570 -1.1563 -1.1563 0.5308 0.5308 1.4060 1.4060 1.4068 1.4068 1.6111 1.6111 4.6172 4.6172 4.6175 4.6175 5.2219 5.2219 6.3131 6.3131 7.0129 7.0129 k = 0.5000 0.5000 0.2786 ( 14504 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4948 -8.4948 -8.4947 -8.4947 -7.7352 -7.7352 -2.0217 -2.0217 -1.7575 -1.7575 -1.7573 -1.7573 -1.1561 -1.1561 0.5317 0.5317 1.4085 1.4085 1.4092 1.4092 1.6093 1.6093 4.6115 4.6115 4.6119 4.6119 5.2303 5.2303 6.3120 6.3120 7.0143 7.0143 k = 0.5000 0.5000 0.2912 ( 14528 PWs) bands (ev): -43.7485 -43.7485 -43.2588 -43.2588 -42.5718 -42.5718 -42.5718 -42.5718 -8.4948 -8.4948 -8.4947 -8.4947 -7.7352 -7.7352 -2.0218 -2.0218 -1.7576 -1.7576 -1.7574 -1.7574 -1.1560 -1.1560 0.5320 0.5320 1.4093 1.4093 1.4101 1.4101 1.6087 1.6087 4.6096 4.6096 4.6100 4.6100 5.2332 5.2332 6.3117 6.3117 7.0148 7.0148 Writing output data file Li2B2C.save init_run : 0.59s CPU 0.38s WALL ( 1 calls) electrons : 388.10s CPU 270.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.09s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 388.09s CPU 270.74s 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 : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.53s CPU 0.70s WALL ( 338 calls) cegterg : 276.22s CPU 206.33s WALL ( 379 calls) Called by sum_band: Called by *egterg: h_psi : 294.87s CPU 189.82s WALL ( 5920 calls) s_psi : 9.78s CPU 6.73s WALL ( 5920 calls) g_psi : 0.63s CPU 0.54s WALL ( 5203 calls) cdiaghg : 34.98s CPU 32.04s WALL ( 5541 calls) cegterg:over : 10.46s CPU 10.04s WALL ( 5203 calls) cegterg:upda : 11.46s CPU 10.47s WALL ( 5203 calls) cegterg:last : 5.14s CPU 5.14s WALL ( 1055 calls) cdiaghg:chol : 1.98s CPU 1.93s WALL ( 5541 calls) cdiaghg:inve : 1.08s CPU 0.91s WALL ( 5541 calls) cdiaghg:para : 1.92s CPU 1.81s WALL ( 11082 calls) Called by h_psi: h_psi:vloc : 270.93s CPU 172.26s WALL ( 5920 calls) h_psi:vnl : 23.08s CPU 16.97s WALL ( 5920 calls) add_vuspsi : 10.47s CPU 7.50s WALL ( 5920 calls) General routines calbec : 12.58s CPU 9.44s WALL ( 5920 calls) fft : 0.06s CPU 0.04s WALL ( 15 calls) fftw : 259.99s CPU 164.19s WALL ( 598016 calls) davcio : 0.58s CPU 2.58s WALL ( 676 calls) Parallel routines fft_scatter : 81.65s CPU 57.97s WALL ( 598031 calls) PWSCF : 6m59.02s CPU 5m17.57s WALL This run was terminated on: 2:41:13 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=