Program PWSCF v.5.4.0 starts on 4Aug2017 at 0:26:51 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: ./LiBH4.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 97 97 26 5649 5649 814 Max 99 99 27 5651 5651 819 Sum 3501 3501 963 203375 203375 29439 bravais-lattice index = 14 lattice parameter (alat) = 8.3734 a.u. unit-cell volume = 1440.8951 (a.u.)^3 number of atoms/cell = 24 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 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)= 8.373376 celldm(2)= 1.522907 celldm(3)= 1.611600 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 1.522907 0.000000 ) a(3) = ( 0.000000 0.000000 1.611600 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.656639 -0.000000 ) b(3) = ( 0.000000 0.000000 0.620501 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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. # 3 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Li 3.00 6.94100 Li( 1.00) B 3.00 10.81100 B( 1.00) 8 Sym. Ops., with inversion, found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.7614534 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8058000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.7614534 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8058000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.7614534 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8058000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.7614534 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8058000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 340 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0138889 -0.0000000 -0.0000000), wk = 0.0029412 k( 3) = ( 0.0277778 -0.0000000 -0.0000000), wk = 0.0029412 k( 4) = ( 0.0416667 -0.0000000 -0.0000000), wk = 0.0029412 k( 5) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0029412 k( 6) = ( 0.0694444 -0.0000000 -0.0000000), wk = 0.0029412 k( 7) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0029412 k( 8) = ( 0.0972222 -0.0000000 -0.0000000), wk = 0.0029412 k( 9) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0029412 k( 10) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0029412 k( 11) = ( 0.1388889 -0.0000000 -0.0000000), wk = 0.0029412 k( 12) = ( 0.1527778 -0.0000000 -0.0000000), wk = 0.0029412 k( 13) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0029412 k( 14) = ( 0.1805556 -0.0000000 -0.0000000), wk = 0.0029412 k( 15) = ( 0.1944444 -0.0000000 -0.0000000), wk = 0.0029412 k( 16) = ( 0.2083333 -0.0000000 -0.0000000), wk = 0.0029412 k( 17) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0029412 k( 18) = ( 0.2361111 -0.0000000 -0.0000000), wk = 0.0029412 k( 19) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0029412 k( 20) = ( 0.2638889 -0.0000000 -0.0000000), wk = 0.0029412 k( 21) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0029412 k( 22) = ( 0.2916667 -0.0000000 -0.0000000), wk = 0.0029412 k( 23) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0029412 k( 24) = ( 0.3194444 -0.0000000 -0.0000000), wk = 0.0029412 k( 25) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0029412 k( 26) = ( 0.3472222 -0.0000000 -0.0000000), wk = 0.0029412 k( 27) = ( 0.3611111 -0.0000000 -0.0000000), wk = 0.0029412 k( 28) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0029412 k( 29) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0029412 k( 30) = ( 0.4027778 -0.0000000 -0.0000000), wk = 0.0029412 k( 31) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0029412 k( 32) = ( 0.4305556 -0.0000000 -0.0000000), wk = 0.0029412 k( 33) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0029412 k( 34) = ( 0.4583333 -0.0000000 -0.0000000), wk = 0.0029412 k( 35) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0029412 k( 36) = ( 0.4861111 -0.0000000 -0.0000000), wk = 0.0029412 k( 37) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0029412 k( 38) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0029412 k( 39) = ( 0.5000000 0.0136800 -0.0000000), wk = 0.0029412 k( 40) = ( 0.5000000 0.0273600 -0.0000000), wk = 0.0029412 k( 41) = ( 0.5000000 0.0410399 -0.0000000), wk = 0.0029412 k( 42) = ( 0.5000000 0.0547199 -0.0000000), wk = 0.0029412 k( 43) = ( 0.5000000 0.0683999 -0.0000000), wk = 0.0029412 k( 44) = ( 0.5000000 0.0820799 -0.0000000), wk = 0.0029412 k( 45) = ( 0.5000000 0.0957599 -0.0000000), wk = 0.0029412 k( 46) = ( 0.5000000 0.1094398 -0.0000000), wk = 0.0029412 k( 47) = ( 0.5000000 0.1231198 -0.0000000), wk = 0.0029412 k( 48) = ( 0.5000000 0.1367998 -0.0000000), wk = 0.0029412 k( 49) = ( 0.5000000 0.1504798 -0.0000000), wk = 0.0029412 k( 50) = ( 0.5000000 0.1641598 -0.0000000), wk = 0.0029412 k( 51) = ( 0.5000000 0.1778397 -0.0000000), wk = 0.0029412 k( 52) = ( 0.5000000 0.1915197 -0.0000000), wk = 0.0029412 k( 53) = ( 0.5000000 0.2051997 -0.0000000), wk = 0.0029412 k( 54) = ( 0.5000000 0.2188797 -0.0000000), wk = 0.0029412 k( 55) = ( 0.5000000 0.2325596 -0.0000000), wk = 0.0029412 k( 56) = ( 0.5000000 0.2462396 -0.0000000), wk = 0.0029412 k( 57) = ( 0.5000000 0.2599196 -0.0000000), wk = 0.0029412 k( 58) = ( 0.5000000 0.2735996 -0.0000000), wk = 0.0029412 k( 59) = ( 0.5000000 0.2872796 -0.0000000), wk = 0.0029412 k( 60) = ( 0.5000000 0.3009595 -0.0000000), wk = 0.0029412 k( 61) = ( 0.5000000 0.3146395 -0.0000000), wk = 0.0029412 k( 62) = ( 0.5000000 0.3283195 -0.0000000), wk = 0.0029412 k( 63) = ( 0.5000000 0.3283195 -0.0000000), wk = 0.0029412 k( 64) = ( 0.4861111 0.3283195 -0.0000000), wk = 0.0029412 k( 65) = ( 0.4722222 0.3283195 -0.0000000), wk = 0.0029412 k( 66) = ( 0.4583333 0.3283195 -0.0000000), wk = 0.0029412 k( 67) = ( 0.4444444 0.3283195 -0.0000000), wk = 0.0029412 k( 68) = ( 0.4305556 0.3283195 -0.0000000), wk = 0.0029412 k( 69) = ( 0.4166667 0.3283195 -0.0000000), wk = 0.0029412 k( 70) = ( 0.4027778 0.3283195 -0.0000000), wk = 0.0029412 k( 71) = ( 0.3888889 0.3283195 -0.0000000), wk = 0.0029412 k( 72) = ( 0.3750000 0.3283195 -0.0000000), wk = 0.0029412 k( 73) = ( 0.3611111 0.3283195 -0.0000000), wk = 0.0029412 k( 74) = ( 0.3472222 0.3283195 -0.0000000), wk = 0.0029412 k( 75) = ( 0.3333333 0.3283195 -0.0000000), wk = 0.0029412 k( 76) = ( 0.3194444 0.3283195 -0.0000000), wk = 0.0029412 k( 77) = ( 0.3055556 0.3283195 -0.0000000), wk = 0.0029412 k( 78) = ( 0.2916667 0.3283195 -0.0000000), wk = 0.0029412 k( 79) = ( 0.2777778 0.3283195 -0.0000000), wk = 0.0029412 k( 80) = ( 0.2638889 0.3283195 -0.0000000), wk = 0.0029412 k( 81) = ( 0.2500000 0.3283195 -0.0000000), wk = 0.0029412 k( 82) = ( 0.2361111 0.3283195 -0.0000000), wk = 0.0029412 k( 83) = ( 0.2222222 0.3283195 -0.0000000), wk = 0.0029412 k( 84) = ( 0.2083333 0.3283195 -0.0000000), wk = 0.0029412 k( 85) = ( 0.1944444 0.3283195 -0.0000000), wk = 0.0029412 k( 86) = ( 0.1805556 0.3283195 -0.0000000), wk = 0.0029412 k( 87) = ( 0.1666667 0.3283195 -0.0000000), wk = 0.0029412 k( 88) = ( 0.1527778 0.3283195 -0.0000000), wk = 0.0029412 k( 89) = ( 0.1388889 0.3283195 -0.0000000), wk = 0.0029412 k( 90) = ( 0.1250000 0.3283195 -0.0000000), wk = 0.0029412 k( 91) = ( 0.1111111 0.3283195 -0.0000000), wk = 0.0029412 k( 92) = ( 0.0972222 0.3283195 -0.0000000), wk = 0.0029412 k( 93) = ( 0.0833333 0.3283195 -0.0000000), wk = 0.0029412 k( 94) = ( 0.0694444 0.3283195 -0.0000000), wk = 0.0029412 k( 95) = ( 0.0555556 0.3283195 -0.0000000), wk = 0.0029412 k( 96) = ( 0.0416667 0.3283195 -0.0000000), wk = 0.0029412 k( 97) = ( 0.0277778 0.3283195 -0.0000000), wk = 0.0029412 k( 98) = ( 0.0138889 0.3283195 -0.0000000), wk = 0.0029412 k( 99) = ( 0.0000000 0.3283195 -0.0000000), wk = 0.0029412 k( 100) = ( 0.0000000 0.3283195 -0.0000000), wk = 0.0029412 k( 101) = ( 0.0000000 0.3146395 -0.0000000), wk = 0.0029412 k( 102) = ( 0.0000000 0.3009595 -0.0000000), wk = 0.0029412 k( 103) = ( 0.0000000 0.2872796 -0.0000000), wk = 0.0029412 k( 104) = ( 0.0000000 0.2735996 -0.0000000), wk = 0.0029412 k( 105) = ( 0.0000000 0.2599196 -0.0000000), wk = 0.0029412 k( 106) = ( 0.0000000 0.2462396 -0.0000000), wk = 0.0029412 k( 107) = ( 0.0000000 0.2325596 -0.0000000), wk = 0.0029412 k( 108) = ( 0.0000000 0.2188797 -0.0000000), wk = 0.0029412 k( 109) = ( 0.0000000 0.2051997 -0.0000000), wk = 0.0029412 k( 110) = ( 0.0000000 0.1915197 -0.0000000), wk = 0.0029412 k( 111) = ( 0.0000000 0.1778397 -0.0000000), wk = 0.0029412 k( 112) = ( 0.0000000 0.1641598 -0.0000000), wk = 0.0029412 k( 113) = ( 0.0000000 0.1504798 -0.0000000), wk = 0.0029412 k( 114) = ( 0.0000000 0.1367998 -0.0000000), wk = 0.0029412 k( 115) = ( 0.0000000 0.1231198 -0.0000000), wk = 0.0029412 k( 116) = ( 0.0000000 0.1094398 -0.0000000), wk = 0.0029412 k( 117) = ( 0.0000000 0.0957599 -0.0000000), wk = 0.0029412 k( 118) = ( 0.0000000 0.0820799 -0.0000000), wk = 0.0029412 k( 119) = ( 0.0000000 0.0683999 -0.0000000), wk = 0.0029412 k( 120) = ( 0.0000000 0.0547199 -0.0000000), wk = 0.0029412 k( 121) = ( 0.0000000 0.0410399 -0.0000000), wk = 0.0029412 k( 122) = ( 0.0000000 0.0273600 -0.0000000), wk = 0.0029412 k( 123) = ( 0.0000000 0.0136800 -0.0000000), wk = 0.0029412 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 126) = ( 0.0000000 0.0000000 0.0141023), wk = 0.0029412 k( 127) = ( 0.0000000 0.0000000 0.0282046), wk = 0.0029412 k( 128) = ( 0.0000000 0.0000000 0.0423069), wk = 0.0029412 k( 129) = ( 0.0000000 0.0000000 0.0564092), wk = 0.0029412 k( 130) = ( 0.0000000 0.0000000 0.0705115), wk = 0.0029412 k( 131) = ( 0.0000000 0.0000000 0.0846138), wk = 0.0029412 k( 132) = ( 0.0000000 0.0000000 0.0987161), wk = 0.0029412 k( 133) = ( 0.0000000 0.0000000 0.1128184), wk = 0.0029412 k( 134) = ( 0.0000000 0.0000000 0.1269207), wk = 0.0029412 k( 135) = ( 0.0000000 0.0000000 0.1410230), wk = 0.0029412 k( 136) = ( 0.0000000 0.0000000 0.1551253), wk = 0.0029412 k( 137) = ( 0.0000000 0.0000000 0.1692276), wk = 0.0029412 k( 138) = ( 0.0000000 0.0000000 0.1833299), wk = 0.0029412 k( 139) = ( 0.0000000 0.0000000 0.1974322), wk = 0.0029412 k( 140) = ( 0.0000000 0.0000000 0.2115345), wk = 0.0029412 k( 141) = ( 0.0000000 0.0000000 0.2256368), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.2397392), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.2538415), wk = 0.0029412 k( 144) = ( 0.0000000 0.0000000 0.2679438), wk = 0.0029412 k( 145) = ( 0.0000000 0.0000000 0.2820461), wk = 0.0029412 k( 146) = ( 0.0000000 0.0000000 0.2961484), wk = 0.0029412 k( 147) = ( 0.0000000 0.0000000 0.3102507), wk = 0.0029412 k( 148) = ( 0.0000000 0.0000000 0.3102507), wk = 0.0029412 k( 149) = ( 0.0138889 -0.0000000 0.3102507), wk = 0.0029412 k( 150) = ( 0.0277778 -0.0000000 0.3102507), wk = 0.0029412 k( 151) = ( 0.0416667 -0.0000000 0.3102507), wk = 0.0029412 k( 152) = ( 0.0555556 -0.0000000 0.3102507), wk = 0.0029412 k( 153) = ( 0.0694444 -0.0000000 0.3102507), wk = 0.0029412 k( 154) = ( 0.0833333 -0.0000000 0.3102507), wk = 0.0029412 k( 155) = ( 0.0972222 -0.0000000 0.3102507), wk = 0.0029412 k( 156) = ( 0.1111111 -0.0000000 0.3102507), wk = 0.0029412 k( 157) = ( 0.1250000 -0.0000000 0.3102507), wk = 0.0029412 k( 158) = ( 0.1388889 -0.0000000 0.3102507), wk = 0.0029412 k( 159) = ( 0.1527778 -0.0000000 0.3102507), wk = 0.0029412 k( 160) = ( 0.1666667 -0.0000000 0.3102507), wk = 0.0029412 k( 161) = ( 0.1805556 -0.0000000 0.3102507), wk = 0.0029412 k( 162) = ( 0.1944444 -0.0000000 0.3102507), wk = 0.0029412 k( 163) = ( 0.2083333 -0.0000000 0.3102507), wk = 0.0029412 k( 164) = ( 0.2222222 -0.0000000 0.3102507), wk = 0.0029412 k( 165) = ( 0.2361111 -0.0000000 0.3102507), wk = 0.0029412 k( 166) = ( 0.2500000 -0.0000000 0.3102507), wk = 0.0029412 k( 167) = ( 0.2638889 -0.0000000 0.3102507), wk = 0.0029412 k( 168) = ( 0.2777778 -0.0000000 0.3102507), wk = 0.0029412 k( 169) = ( 0.2916667 -0.0000000 0.3102507), wk = 0.0029412 k( 170) = ( 0.3055556 -0.0000000 0.3102507), wk = 0.0029412 k( 171) = ( 0.3194444 -0.0000000 0.3102507), wk = 0.0029412 k( 172) = ( 0.3333333 -0.0000000 0.3102507), wk = 0.0029412 k( 173) = ( 0.3472222 -0.0000000 0.3102507), wk = 0.0029412 k( 174) = ( 0.3611111 -0.0000000 0.3102507), wk = 0.0029412 k( 175) = ( 0.3750000 -0.0000000 0.3102507), wk = 0.0029412 k( 176) = ( 0.3888889 -0.0000000 0.3102507), wk = 0.0029412 k( 177) = ( 0.4027778 -0.0000000 0.3102507), wk = 0.0029412 k( 178) = ( 0.4166667 -0.0000000 0.3102507), wk = 0.0029412 k( 179) = ( 0.4305556 -0.0000000 0.3102507), wk = 0.0029412 k( 180) = ( 0.4444444 -0.0000000 0.3102507), wk = 0.0029412 k( 181) = ( 0.4583333 -0.0000000 0.3102507), wk = 0.0029412 k( 182) = ( 0.4722222 -0.0000000 0.3102507), wk = 0.0029412 k( 183) = ( 0.4861111 -0.0000000 0.3102507), wk = 0.0029412 k( 184) = ( 0.5000000 -0.0000000 0.3102507), wk = 0.0029412 k( 185) = ( 0.5000000 -0.0000000 0.3102507), wk = 0.0029412 k( 186) = ( 0.5000000 0.0136800 0.3102507), wk = 0.0029412 k( 187) = ( 0.5000000 0.0273600 0.3102507), wk = 0.0029412 k( 188) = ( 0.5000000 0.0410399 0.3102507), wk = 0.0029412 k( 189) = ( 0.5000000 0.0547199 0.3102507), wk = 0.0029412 k( 190) = ( 0.5000000 0.0683999 0.3102507), wk = 0.0029412 k( 191) = ( 0.5000000 0.0820799 0.3102507), wk = 0.0029412 k( 192) = ( 0.5000000 0.0957599 0.3102507), wk = 0.0029412 k( 193) = ( 0.5000000 0.1094398 0.3102507), wk = 0.0029412 k( 194) = ( 0.5000000 0.1231198 0.3102507), wk = 0.0029412 k( 195) = ( 0.5000000 0.1367998 0.3102507), wk = 0.0029412 k( 196) = ( 0.5000000 0.1504798 0.3102507), wk = 0.0029412 k( 197) = ( 0.5000000 0.1641598 0.3102507), wk = 0.0029412 k( 198) = ( 0.5000000 0.1778397 0.3102507), wk = 0.0029412 k( 199) = ( 0.5000000 0.1915197 0.3102507), wk = 0.0029412 k( 200) = ( 0.5000000 0.2051997 0.3102507), wk = 0.0029412 k( 201) = ( 0.5000000 0.2188797 0.3102507), wk = 0.0029412 k( 202) = ( 0.5000000 0.2325596 0.3102507), wk = 0.0029412 k( 203) = ( 0.5000000 0.2462396 0.3102507), wk = 0.0029412 k( 204) = ( 0.5000000 0.2599196 0.3102507), wk = 0.0029412 k( 205) = ( 0.5000000 0.2735996 0.3102507), wk = 0.0029412 k( 206) = ( 0.5000000 0.2872796 0.3102507), wk = 0.0029412 k( 207) = ( 0.5000000 0.3009595 0.3102507), wk = 0.0029412 k( 208) = ( 0.5000000 0.3146395 0.3102507), wk = 0.0029412 k( 209) = ( 0.5000000 0.3283195 0.3102507), wk = 0.0029412 k( 210) = ( 0.5000000 0.3283195 0.3102507), wk = 0.0029412 k( 211) = ( 0.4861111 0.3283195 0.3102507), wk = 0.0029412 k( 212) = ( 0.4722222 0.3283195 0.3102507), wk = 0.0029412 k( 213) = ( 0.4583333 0.3283195 0.3102507), wk = 0.0029412 k( 214) = ( 0.4444444 0.3283195 0.3102507), wk = 0.0029412 k( 215) = ( 0.4305556 0.3283195 0.3102507), wk = 0.0029412 k( 216) = ( 0.4166667 0.3283195 0.3102507), wk = 0.0029412 k( 217) = ( 0.4027778 0.3283195 0.3102507), wk = 0.0029412 k( 218) = ( 0.3888889 0.3283195 0.3102507), wk = 0.0029412 k( 219) = ( 0.3750000 0.3283195 0.3102507), wk = 0.0029412 k( 220) = ( 0.3611111 0.3283195 0.3102507), wk = 0.0029412 k( 221) = ( 0.3472222 0.3283195 0.3102507), wk = 0.0029412 k( 222) = ( 0.3333333 0.3283195 0.3102507), wk = 0.0029412 k( 223) = ( 0.3194444 0.3283195 0.3102507), wk = 0.0029412 k( 224) = ( 0.3055556 0.3283195 0.3102507), wk = 0.0029412 k( 225) = ( 0.2916667 0.3283195 0.3102507), wk = 0.0029412 k( 226) = ( 0.2777778 0.3283195 0.3102507), wk = 0.0029412 k( 227) = ( 0.2638889 0.3283195 0.3102507), wk = 0.0029412 k( 228) = ( 0.2500000 0.3283195 0.3102507), wk = 0.0029412 k( 229) = ( 0.2361111 0.3283195 0.3102507), wk = 0.0029412 k( 230) = ( 0.2222222 0.3283195 0.3102507), wk = 0.0029412 k( 231) = ( 0.2083333 0.3283195 0.3102507), wk = 0.0029412 k( 232) = ( 0.1944444 0.3283195 0.3102507), wk = 0.0029412 k( 233) = ( 0.1805556 0.3283195 0.3102507), wk = 0.0029412 k( 234) = ( 0.1666667 0.3283195 0.3102507), wk = 0.0029412 k( 235) = ( 0.1527778 0.3283195 0.3102507), wk = 0.0029412 k( 236) = ( 0.1388889 0.3283195 0.3102507), wk = 0.0029412 k( 237) = ( 0.1250000 0.3283195 0.3102507), wk = 0.0029412 k( 238) = ( 0.1111111 0.3283195 0.3102507), wk = 0.0029412 k( 239) = ( 0.0972222 0.3283195 0.3102507), wk = 0.0029412 k( 240) = ( 0.0833333 0.3283195 0.3102507), wk = 0.0029412 k( 241) = ( 0.0694444 0.3283195 0.3102507), wk = 0.0029412 k( 242) = ( 0.0555556 0.3283195 0.3102507), wk = 0.0029412 k( 243) = ( 0.0416667 0.3283195 0.3102507), wk = 0.0029412 k( 244) = ( 0.0277778 0.3283195 0.3102507), wk = 0.0029412 k( 245) = ( 0.0138889 0.3283195 0.3102507), wk = 0.0029412 k( 246) = ( 0.0000000 0.3283195 0.3102507), wk = 0.0029412 k( 247) = ( 0.0000000 0.3283195 0.3102507), wk = 0.0029412 k( 248) = ( 0.0000000 0.3146395 0.3102507), wk = 0.0029412 k( 249) = ( 0.0000000 0.3009595 0.3102507), wk = 0.0029412 k( 250) = ( 0.0000000 0.2872796 0.3102507), wk = 0.0029412 k( 251) = ( 0.0000000 0.2735996 0.3102507), wk = 0.0029412 k( 252) = ( 0.0000000 0.2599196 0.3102507), wk = 0.0029412 k( 253) = ( 0.0000000 0.2462396 0.3102507), wk = 0.0029412 k( 254) = ( 0.0000000 0.2325596 0.3102507), wk = 0.0029412 k( 255) = ( 0.0000000 0.2188797 0.3102507), wk = 0.0029412 k( 256) = ( 0.0000000 0.2051997 0.3102507), wk = 0.0029412 k( 257) = ( 0.0000000 0.1915197 0.3102507), wk = 0.0029412 k( 258) = ( 0.0000000 0.1778397 0.3102507), wk = 0.0029412 k( 259) = ( 0.0000000 0.1641598 0.3102507), wk = 0.0029412 k( 260) = ( 0.0000000 0.1504798 0.3102507), wk = 0.0029412 k( 261) = ( 0.0000000 0.1367998 0.3102507), wk = 0.0029412 k( 262) = ( 0.0000000 0.1231198 0.3102507), wk = 0.0029412 k( 263) = ( 0.0000000 0.1094398 0.3102507), wk = 0.0029412 k( 264) = ( 0.0000000 0.0957599 0.3102507), wk = 0.0029412 k( 265) = ( 0.0000000 0.0820799 0.3102507), wk = 0.0029412 k( 266) = ( 0.0000000 0.0683999 0.3102507), wk = 0.0029412 k( 267) = ( 0.0000000 0.0547199 0.3102507), wk = 0.0029412 k( 268) = ( 0.0000000 0.0410399 0.3102507), wk = 0.0029412 k( 269) = ( 0.0000000 0.0273600 0.3102507), wk = 0.0029412 k( 270) = ( 0.0000000 0.0136800 0.3102507), wk = 0.0029412 k( 271) = ( 0.0000000 0.0000000 0.3102507), wk = 0.0029412 k( 272) = ( 0.0000000 0.3283195 -0.0000000), wk = 0.0029412 k( 273) = ( 0.0000000 0.3283195 0.0141023), wk = 0.0029412 k( 274) = ( 0.0000000 0.3283195 0.0282046), wk = 0.0029412 k( 275) = ( 0.0000000 0.3283195 0.0423069), wk = 0.0029412 k( 276) = ( 0.0000000 0.3283195 0.0564092), wk = 0.0029412 k( 277) = ( 0.0000000 0.3283195 0.0705115), wk = 0.0029412 k( 278) = ( 0.0000000 0.3283195 0.0846138), wk = 0.0029412 k( 279) = ( 0.0000000 0.3283195 0.0987161), wk = 0.0029412 k( 280) = ( 0.0000000 0.3283195 0.1128184), wk = 0.0029412 k( 281) = ( 0.0000000 0.3283195 0.1269207), wk = 0.0029412 k( 282) = ( 0.0000000 0.3283195 0.1410230), wk = 0.0029412 k( 283) = ( 0.0000000 0.3283195 0.1551253), wk = 0.0029412 k( 284) = ( 0.0000000 0.3283195 0.1692276), wk = 0.0029412 k( 285) = ( 0.0000000 0.3283195 0.1833299), wk = 0.0029412 k( 286) = ( 0.0000000 0.3283195 0.1974322), wk = 0.0029412 k( 287) = ( 0.0000000 0.3283195 0.2115345), wk = 0.0029412 k( 288) = ( 0.0000000 0.3283195 0.2256368), wk = 0.0029412 k( 289) = ( 0.0000000 0.3283195 0.2397392), wk = 0.0029412 k( 290) = ( 0.0000000 0.3283195 0.2538415), wk = 0.0029412 k( 291) = ( 0.0000000 0.3283195 0.2679438), wk = 0.0029412 k( 292) = ( 0.0000000 0.3283195 0.2820461), wk = 0.0029412 k( 293) = ( 0.0000000 0.3283195 0.2961484), wk = 0.0029412 k( 294) = ( 0.0000000 0.3283195 0.3102507), wk = 0.0029412 k( 295) = ( 0.5000000 -0.0000000 0.3102507), wk = 0.0029412 k( 296) = ( 0.5000000 -0.0000000 0.2961484), wk = 0.0029412 k( 297) = ( 0.5000000 -0.0000000 0.2820461), wk = 0.0029412 k( 298) = ( 0.5000000 -0.0000000 0.2679438), wk = 0.0029412 k( 299) = ( 0.5000000 -0.0000000 0.2538415), wk = 0.0029412 k( 300) = ( 0.5000000 -0.0000000 0.2397392), wk = 0.0029412 k( 301) = ( 0.5000000 -0.0000000 0.2256368), wk = 0.0029412 k( 302) = ( 0.5000000 -0.0000000 0.2115345), wk = 0.0029412 k( 303) = ( 0.5000000 -0.0000000 0.1974322), wk = 0.0029412 k( 304) = ( 0.5000000 -0.0000000 0.1833299), wk = 0.0029412 k( 305) = ( 0.5000000 -0.0000000 0.1692276), wk = 0.0029412 k( 306) = ( 0.5000000 -0.0000000 0.1551253), wk = 0.0029412 k( 307) = ( 0.5000000 -0.0000000 0.1410230), wk = 0.0029412 k( 308) = ( 0.5000000 -0.0000000 0.1269207), wk = 0.0029412 k( 309) = ( 0.5000000 -0.0000000 0.1128184), wk = 0.0029412 k( 310) = ( 0.5000000 -0.0000000 0.0987161), wk = 0.0029412 k( 311) = ( 0.5000000 -0.0000000 0.0846138), wk = 0.0029412 k( 312) = ( 0.5000000 -0.0000000 0.0705115), wk = 0.0029412 k( 313) = ( 0.5000000 -0.0000000 0.0564092), wk = 0.0029412 k( 314) = ( 0.5000000 -0.0000000 0.0423069), wk = 0.0029412 k( 315) = ( 0.5000000 -0.0000000 0.0282046), wk = 0.0029412 k( 316) = ( 0.5000000 -0.0000000 0.0141023), wk = 0.0029412 k( 317) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0029412 k( 318) = ( 0.5000000 0.3283195 -0.0000000), wk = 0.0029412 k( 319) = ( 0.5000000 0.3283195 0.0141023), wk = 0.0029412 k( 320) = ( 0.5000000 0.3283195 0.0282046), wk = 0.0029412 k( 321) = ( 0.5000000 0.3283195 0.0423069), wk = 0.0029412 k( 322) = ( 0.5000000 0.3283195 0.0564092), wk = 0.0029412 k( 323) = ( 0.5000000 0.3283195 0.0705115), wk = 0.0029412 k( 324) = ( 0.5000000 0.3283195 0.0846138), wk = 0.0029412 k( 325) = ( 0.5000000 0.3283195 0.0987161), wk = 0.0029412 k( 326) = ( 0.5000000 0.3283195 0.1128184), wk = 0.0029412 k( 327) = ( 0.5000000 0.3283195 0.1269207), wk = 0.0029412 k( 328) = ( 0.5000000 0.3283195 0.1410230), wk = 0.0029412 k( 329) = ( 0.5000000 0.3283195 0.1551253), wk = 0.0029412 k( 330) = ( 0.5000000 0.3283195 0.1692276), wk = 0.0029412 k( 331) = ( 0.5000000 0.3283195 0.1833299), wk = 0.0029412 k( 332) = ( 0.5000000 0.3283195 0.1974322), wk = 0.0029412 k( 333) = ( 0.5000000 0.3283195 0.2115345), wk = 0.0029412 k( 334) = ( 0.5000000 0.3283195 0.2256368), wk = 0.0029412 k( 335) = ( 0.5000000 0.3283195 0.2397392), wk = 0.0029412 k( 336) = ( 0.5000000 0.3283195 0.2538415), wk = 0.0029412 k( 337) = ( 0.5000000 0.3283195 0.2679438), wk = 0.0029412 k( 338) = ( 0.5000000 0.3283195 0.2820461), wk = 0.0029412 k( 339) = ( 0.5000000 0.3283195 0.2961484), wk = 0.0029412 k( 340) = ( 0.5000000 0.3283195 0.3102507), wk = 0.0029412 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0138889 -0.0000000 -0.0000000), wk = 0.0029412 k( 3) = ( 0.0277778 -0.0000000 -0.0000000), wk = 0.0029412 k( 4) = ( 0.0416667 -0.0000000 -0.0000000), wk = 0.0029412 k( 5) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0029412 k( 6) = ( 0.0694444 -0.0000000 -0.0000000), wk = 0.0029412 k( 7) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0029412 k( 8) = ( 0.0972222 -0.0000000 -0.0000000), wk = 0.0029412 k( 9) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0029412 k( 10) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0029412 k( 11) = ( 0.1388889 -0.0000000 -0.0000000), wk = 0.0029412 k( 12) = ( 0.1527778 -0.0000000 -0.0000000), wk = 0.0029412 k( 13) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0029412 k( 14) = ( 0.1805556 -0.0000000 -0.0000000), wk = 0.0029412 k( 15) = ( 0.1944444 -0.0000000 -0.0000000), wk = 0.0029412 k( 16) = ( 0.2083333 -0.0000000 -0.0000000), wk = 0.0029412 k( 17) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0029412 k( 18) = ( 0.2361111 -0.0000000 -0.0000000), wk = 0.0029412 k( 19) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0029412 k( 20) = ( 0.2638889 -0.0000000 -0.0000000), wk = 0.0029412 k( 21) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0029412 k( 22) = ( 0.2916667 -0.0000000 -0.0000000), wk = 0.0029412 k( 23) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0029412 k( 24) = ( 0.3194444 -0.0000000 -0.0000000), wk = 0.0029412 k( 25) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0029412 k( 26) = ( 0.3472222 -0.0000000 -0.0000000), wk = 0.0029412 k( 27) = ( 0.3611111 -0.0000000 -0.0000000), wk = 0.0029412 k( 28) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0029412 k( 29) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0029412 k( 30) = ( 0.4027778 -0.0000000 -0.0000000), wk = 0.0029412 k( 31) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0029412 k( 32) = ( 0.4305556 -0.0000000 -0.0000000), wk = 0.0029412 k( 33) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0029412 k( 34) = ( 0.4583333 -0.0000000 -0.0000000), wk = 0.0029412 k( 35) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0029412 k( 36) = ( 0.4861111 -0.0000000 -0.0000000), wk = 0.0029412 k( 37) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0029412 k( 38) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0029412 k( 39) = ( 0.5000000 0.0208333 -0.0000000), wk = 0.0029412 k( 40) = ( 0.5000000 0.0416667 -0.0000000), wk = 0.0029412 k( 41) = ( 0.5000000 0.0625000 -0.0000000), wk = 0.0029412 k( 42) = ( 0.5000000 0.0833333 -0.0000000), wk = 0.0029412 k( 43) = ( 0.5000000 0.1041667 -0.0000000), wk = 0.0029412 k( 44) = ( 0.5000000 0.1250000 -0.0000000), wk = 0.0029412 k( 45) = ( 0.5000000 0.1458333 -0.0000000), wk = 0.0029412 k( 46) = ( 0.5000000 0.1666667 -0.0000000), wk = 0.0029412 k( 47) = ( 0.5000000 0.1875000 -0.0000000), wk = 0.0029412 k( 48) = ( 0.5000000 0.2083333 -0.0000000), wk = 0.0029412 k( 49) = ( 0.5000000 0.2291667 -0.0000000), wk = 0.0029412 k( 50) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0029412 k( 51) = ( 0.5000000 0.2708333 -0.0000000), wk = 0.0029412 k( 52) = ( 0.5000000 0.2916667 -0.0000000), wk = 0.0029412 k( 53) = ( 0.5000000 0.3125000 -0.0000000), wk = 0.0029412 k( 54) = ( 0.5000000 0.3333333 -0.0000000), wk = 0.0029412 k( 55) = ( 0.5000000 0.3541667 -0.0000000), wk = 0.0029412 k( 56) = ( 0.5000000 0.3750000 -0.0000000), wk = 0.0029412 k( 57) = ( 0.5000000 0.3958333 -0.0000000), wk = 0.0029412 k( 58) = ( 0.5000000 0.4166667 -0.0000000), wk = 0.0029412 k( 59) = ( 0.5000000 0.4375000 -0.0000000), wk = 0.0029412 k( 60) = ( 0.5000000 0.4583333 -0.0000000), wk = 0.0029412 k( 61) = ( 0.5000000 0.4791667 -0.0000000), wk = 0.0029412 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 64) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0029412 k( 65) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0029412 k( 66) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0029412 k( 67) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0029412 k( 68) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0029412 k( 69) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0029412 k( 70) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0029412 k( 71) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0029412 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0029412 k( 73) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0029412 k( 74) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0029412 k( 75) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0029412 k( 76) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0029412 k( 77) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0029412 k( 78) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0029412 k( 79) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0029412 k( 80) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0029412 k( 81) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0029412 k( 82) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0029412 k( 83) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0029412 k( 84) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0029412 k( 85) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0029412 k( 86) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0029412 k( 87) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0029412 k( 88) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0029412 k( 89) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0029412 k( 90) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0029412 k( 91) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0029412 k( 92) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0029412 k( 93) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0029412 k( 94) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0029412 k( 95) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0029412 k( 96) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0029412 k( 97) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0029412 k( 98) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0029412 k( 99) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029412 k( 100) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029412 k( 101) = ( 0.0000000 0.4791667 0.0000000), wk = 0.0029412 k( 102) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0029412 k( 103) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0029412 k( 104) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0029412 k( 105) = ( 0.0000000 0.3958333 0.0000000), wk = 0.0029412 k( 106) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0029412 k( 107) = ( 0.0000000 0.3541667 0.0000000), wk = 0.0029412 k( 108) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0029412 k( 109) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0029412 k( 110) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0029412 k( 111) = ( 0.0000000 0.2708333 0.0000000), wk = 0.0029412 k( 112) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0029412 k( 113) = ( 0.0000000 0.2291667 0.0000000), wk = 0.0029412 k( 114) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0029412 k( 115) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0029412 k( 116) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0029412 k( 117) = ( 0.0000000 0.1458333 0.0000000), wk = 0.0029412 k( 118) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0029412 k( 119) = ( 0.0000000 0.1041667 0.0000000), wk = 0.0029412 k( 120) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0029412 k( 121) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0029412 k( 122) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0029412 k( 123) = ( 0.0000000 0.0208333 0.0000000), wk = 0.0029412 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 126) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0029412 k( 127) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0029412 k( 128) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0029412 k( 129) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0029412 k( 130) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0029412 k( 131) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0029412 k( 132) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0029412 k( 133) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0029412 k( 134) = ( 0.0000000 0.0000000 0.2045455), wk = 0.0029412 k( 135) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0029412 k( 136) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029412 k( 137) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0029412 k( 138) = ( 0.0000000 0.0000000 0.2954546), wk = 0.0029412 k( 139) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0029412 k( 140) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0029412 k( 141) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0029412 k( 144) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0029412 k( 145) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0029412 k( 146) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0029412 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 149) = ( 0.0138889 -0.0000000 0.5000000), wk = 0.0029412 k( 150) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0029412 k( 151) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0029412 k( 152) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0029412 k( 153) = ( 0.0694444 -0.0000000 0.5000000), wk = 0.0029412 k( 154) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0029412 k( 155) = ( 0.0972222 -0.0000000 0.5000000), wk = 0.0029412 k( 156) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0029412 k( 157) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0029412 k( 158) = ( 0.1388889 -0.0000000 0.5000000), wk = 0.0029412 k( 159) = ( 0.1527778 -0.0000000 0.5000000), wk = 0.0029412 k( 160) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0029412 k( 161) = ( 0.1805556 -0.0000000 0.5000000), wk = 0.0029412 k( 162) = ( 0.1944444 -0.0000000 0.5000000), wk = 0.0029412 k( 163) = ( 0.2083333 -0.0000000 0.5000000), wk = 0.0029412 k( 164) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0029412 k( 165) = ( 0.2361111 -0.0000000 0.5000000), wk = 0.0029412 k( 166) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0029412 k( 167) = ( 0.2638889 -0.0000000 0.5000000), wk = 0.0029412 k( 168) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0029412 k( 169) = ( 0.2916667 -0.0000000 0.5000000), wk = 0.0029412 k( 170) = ( 0.3055556 -0.0000000 0.5000000), wk = 0.0029412 k( 171) = ( 0.3194444 -0.0000000 0.5000000), wk = 0.0029412 k( 172) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0029412 k( 173) = ( 0.3472222 -0.0000000 0.5000000), wk = 0.0029412 k( 174) = ( 0.3611111 -0.0000000 0.5000000), wk = 0.0029412 k( 175) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0029412 k( 176) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0029412 k( 177) = ( 0.4027778 -0.0000000 0.5000000), wk = 0.0029412 k( 178) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0029412 k( 179) = ( 0.4305556 -0.0000000 0.5000000), wk = 0.0029412 k( 180) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0029412 k( 181) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0029412 k( 182) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0029412 k( 183) = ( 0.4861111 -0.0000000 0.5000000), wk = 0.0029412 k( 184) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029412 k( 185) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029412 k( 186) = ( 0.5000000 0.0208333 0.5000000), wk = 0.0029412 k( 187) = ( 0.5000000 0.0416667 0.5000000), wk = 0.0029412 k( 188) = ( 0.5000000 0.0625000 0.5000000), wk = 0.0029412 k( 189) = ( 0.5000000 0.0833333 0.5000000), wk = 0.0029412 k( 190) = ( 0.5000000 0.1041667 0.5000000), wk = 0.0029412 k( 191) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0029412 k( 192) = ( 0.5000000 0.1458333 0.5000000), wk = 0.0029412 k( 193) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0029412 k( 194) = ( 0.5000000 0.1875000 0.5000000), wk = 0.0029412 k( 195) = ( 0.5000000 0.2083333 0.5000000), wk = 0.0029412 k( 196) = ( 0.5000000 0.2291667 0.5000000), wk = 0.0029412 k( 197) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0029412 k( 198) = ( 0.5000000 0.2708333 0.5000000), wk = 0.0029412 k( 199) = ( 0.5000000 0.2916667 0.5000000), wk = 0.0029412 k( 200) = ( 0.5000000 0.3125000 0.5000000), wk = 0.0029412 k( 201) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0029412 k( 202) = ( 0.5000000 0.3541667 0.5000000), wk = 0.0029412 k( 203) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0029412 k( 204) = ( 0.5000000 0.3958333 0.5000000), wk = 0.0029412 k( 205) = ( 0.5000000 0.4166667 0.5000000), wk = 0.0029412 k( 206) = ( 0.5000000 0.4375000 0.5000000), wk = 0.0029412 k( 207) = ( 0.5000000 0.4583333 0.5000000), wk = 0.0029412 k( 208) = ( 0.5000000 0.4791667 0.5000000), wk = 0.0029412 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 211) = ( 0.4861111 0.5000000 0.5000000), wk = 0.0029412 k( 212) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0029412 k( 213) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0029412 k( 214) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0029412 k( 215) = ( 0.4305556 0.5000000 0.5000000), wk = 0.0029412 k( 216) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0029412 k( 217) = ( 0.4027778 0.5000000 0.5000000), wk = 0.0029412 k( 218) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0029412 k( 219) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0029412 k( 220) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0029412 k( 221) = ( 0.3472222 0.5000000 0.5000000), wk = 0.0029412 k( 222) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0029412 k( 223) = ( 0.3194444 0.5000000 0.5000000), wk = 0.0029412 k( 224) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0029412 k( 225) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0029412 k( 226) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0029412 k( 227) = ( 0.2638889 0.5000000 0.5000000), wk = 0.0029412 k( 228) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0029412 k( 229) = ( 0.2361111 0.5000000 0.5000000), wk = 0.0029412 k( 230) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0029412 k( 231) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0029412 k( 232) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0029412 k( 233) = ( 0.1805556 0.5000000 0.5000000), wk = 0.0029412 k( 234) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0029412 k( 235) = ( 0.1527778 0.5000000 0.5000000), wk = 0.0029412 k( 236) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0029412 k( 237) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0029412 k( 238) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0029412 k( 239) = ( 0.0972222 0.5000000 0.5000000), wk = 0.0029412 k( 240) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0029412 k( 241) = ( 0.0694444 0.5000000 0.5000000), wk = 0.0029412 k( 242) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0029412 k( 243) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0029412 k( 244) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0029412 k( 245) = ( 0.0138889 0.5000000 0.5000000), wk = 0.0029412 k( 246) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029412 k( 247) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029412 k( 248) = ( 0.0000000 0.4791667 0.5000000), wk = 0.0029412 k( 249) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0029412 k( 250) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0029412 k( 251) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0029412 k( 252) = ( 0.0000000 0.3958333 0.5000000), wk = 0.0029412 k( 253) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0029412 k( 254) = ( 0.0000000 0.3541667 0.5000000), wk = 0.0029412 k( 255) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0029412 k( 256) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0029412 k( 257) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0029412 k( 258) = ( 0.0000000 0.2708333 0.5000000), wk = 0.0029412 k( 259) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0029412 k( 260) = ( 0.0000000 0.2291667 0.5000000), wk = 0.0029412 k( 261) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0029412 k( 262) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0029412 k( 263) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0029412 k( 264) = ( 0.0000000 0.1458333 0.5000000), wk = 0.0029412 k( 265) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0029412 k( 266) = ( 0.0000000 0.1041667 0.5000000), wk = 0.0029412 k( 267) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0029412 k( 268) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0029412 k( 269) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0029412 k( 270) = ( 0.0000000 0.0208333 0.5000000), wk = 0.0029412 k( 271) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 272) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029412 k( 273) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0029412 k( 274) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0029412 k( 275) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0029412 k( 276) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0029412 k( 277) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0029412 k( 278) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0029412 k( 279) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0029412 k( 280) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0029412 k( 281) = ( 0.0000000 0.5000000 0.2045455), wk = 0.0029412 k( 282) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0029412 k( 283) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0029412 k( 284) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0029412 k( 285) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0029412 k( 286) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0029412 k( 287) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0029412 k( 288) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0029412 k( 289) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0029412 k( 290) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0029412 k( 291) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0029412 k( 292) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0029412 k( 293) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0029412 k( 294) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029412 k( 295) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029412 k( 296) = ( 0.5000000 -0.0000000 0.4772727), wk = 0.0029412 k( 297) = ( 0.5000000 -0.0000000 0.4545455), wk = 0.0029412 k( 298) = ( 0.5000000 -0.0000000 0.4318182), wk = 0.0029412 k( 299) = ( 0.5000000 -0.0000000 0.4090909), wk = 0.0029412 k( 300) = ( 0.5000000 -0.0000000 0.3863636), wk = 0.0029412 k( 301) = ( 0.5000000 -0.0000000 0.3636364), wk = 0.0029412 k( 302) = ( 0.5000000 -0.0000000 0.3409091), wk = 0.0029412 k( 303) = ( 0.5000000 -0.0000000 0.3181818), wk = 0.0029412 k( 304) = ( 0.5000000 -0.0000000 0.2954546), wk = 0.0029412 k( 305) = ( 0.5000000 -0.0000000 0.2727273), wk = 0.0029412 k( 306) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0029412 k( 307) = ( 0.5000000 -0.0000000 0.2272727), wk = 0.0029412 k( 308) = ( 0.5000000 -0.0000000 0.2045454), wk = 0.0029412 k( 309) = ( 0.5000000 -0.0000000 0.1818182), wk = 0.0029412 k( 310) = ( 0.5000000 -0.0000000 0.1590909), wk = 0.0029412 k( 311) = ( 0.5000000 -0.0000000 0.1363636), wk = 0.0029412 k( 312) = ( 0.5000000 -0.0000000 0.1136364), wk = 0.0029412 k( 313) = ( 0.5000000 -0.0000000 0.0909091), wk = 0.0029412 k( 314) = ( 0.5000000 -0.0000000 0.0681818), wk = 0.0029412 k( 315) = ( 0.5000000 -0.0000000 0.0454546), wk = 0.0029412 k( 316) = ( 0.5000000 -0.0000000 0.0227273), wk = 0.0029412 k( 317) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0029412 k( 318) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 319) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0029412 k( 320) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0029412 k( 321) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0029412 k( 322) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0029412 k( 323) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0029412 k( 324) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0029412 k( 325) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0029412 k( 326) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0029412 k( 327) = ( 0.5000000 0.5000000 0.2045455), wk = 0.0029412 k( 328) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0029412 k( 329) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0029412 k( 330) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0029412 k( 331) = ( 0.5000000 0.5000000 0.2954546), wk = 0.0029412 k( 332) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0029412 k( 333) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0029412 k( 334) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0029412 k( 335) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0029412 k( 336) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0029412 k( 337) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0029412 k( 338) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0029412 k( 339) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0029412 k( 340) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029412 Dense grid: 203375 G-vectors FFT dimensions: ( 60, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 1.05 Mb ( 1440, 48) NL pseudopotentials 1.58 Mb ( 720, 144) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.04 Mb ( 5649) G-vector shells 0.02 Mb ( 2744) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 4.22 Mb ( 1440, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.21 Mb ( 144, 2, 48) The potential is recalculated from file : ./LiBH4.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 8.2 secs Computing kpt #: 6 total cpu time spent up to now is 9.5 secs Computing kpt #: 7 total cpu time spent up to now is 10.8 secs Computing kpt #: 8 total cpu time spent up to now is 12.2 secs Computing kpt #: 9 total cpu time spent up to now is 13.6 secs Computing kpt #: 10 total cpu time spent up to now is 15.0 secs Computing kpt #: 11 total cpu time spent up to now is 16.4 secs Computing kpt #: 12 total cpu time spent up to now is 18.1 secs Computing kpt #: 13 total cpu time spent up to now is 19.7 secs Computing kpt #: 14 total cpu time spent up to now is 21.5 secs Computing kpt #: 15 total cpu time spent up to now is 23.1 secs Computing kpt #: 16 total cpu time spent up to now is 24.9 secs Computing kpt #: 17 total cpu time spent up to now is 26.6 secs Computing kpt #: 18 total cpu time spent up to now is 28.2 secs Computing kpt #: 19 total cpu time spent up to now is 29.9 secs Computing kpt #: 20 total cpu time spent up to now is 31.6 secs Computing kpt #: 21 total cpu time spent up to now is 33.3 secs Computing kpt #: 22 total cpu time spent up to now is 35.0 secs Computing kpt #: 23 total cpu time spent up to now is 36.7 secs Computing kpt #: 24 total cpu time spent up to now is 38.4 secs Computing kpt #: 25 total cpu time spent up to now is 40.1 secs Computing kpt #: 26 total cpu time spent up to now is 41.8 secs Computing kpt #: 27 total cpu time spent up to now is 43.5 secs Computing kpt #: 28 total cpu time spent up to now is 45.0 secs Computing kpt #: 29 total cpu time spent up to now is 46.5 secs Computing kpt #: 30 total cpu time spent up to now is 47.9 secs Computing kpt #: 31 total cpu time spent up to now is 49.3 secs Computing kpt #: 32 total cpu time spent up to now is 50.8 secs Computing kpt #: 33 total cpu time spent up to now is 52.3 secs Computing kpt #: 34 total cpu time spent up to now is 53.7 secs Computing kpt #: 35 total cpu time spent up to now is 55.1 secs Computing kpt #: 36 total cpu time spent up to now is 56.5 secs Computing kpt #: 37 total cpu time spent up to now is 57.9 secs Computing kpt #: 38 total cpu time spent up to now is 59.3 secs Computing kpt #: 39 total cpu time spent up to now is 60.7 secs Computing kpt #: 40 total cpu time spent up to now is 62.1 secs Computing kpt #: 41 total cpu time spent up to now is 63.6 secs Computing kpt #: 42 total cpu time spent up to now is 65.4 secs Computing kpt #: 43 total cpu time spent up to now is 66.9 secs Computing kpt #: 44 total cpu time spent up to now is 68.3 secs Computing kpt #: 45 total cpu time spent up to now is 69.9 secs Computing kpt #: 46 total cpu time spent up to now is 71.5 secs Computing kpt #: 47 total cpu time spent up to now is 73.2 secs Computing kpt #: 48 total cpu time spent up to now is 74.9 secs Computing kpt #: 49 total cpu time spent up to now is 76.6 secs Computing kpt #: 50 total cpu time spent up to now is 78.3 secs Computing kpt #: 51 total cpu time spent up to now is 80.1 secs Computing kpt #: 52 total cpu time spent up to now is 81.8 secs Computing kpt #: 53 total cpu time spent up to now is 83.6 secs Computing kpt #: 54 total cpu time spent up to now is 85.4 secs Computing kpt #: 55 total cpu time spent up to now is 87.1 secs Computing kpt #: 56 total cpu time spent up to now is 88.9 secs Computing kpt #: 57 total cpu time spent up to now is 90.6 secs Computing kpt #: 58 total cpu time spent up to now is 92.4 secs Computing kpt #: 59 total cpu time spent up to now is 94.1 secs Computing kpt #: 60 total cpu time spent up to now is 95.9 secs Computing kpt #: 61 total cpu time spent up to now is 97.5 secs Computing kpt #: 62 total cpu time spent up to now is 99.1 secs Computing kpt #: 63 total cpu time spent up to now is 100.6 secs Computing kpt #: 64 total cpu time spent up to now is 102.1 secs Computing kpt #: 65 total cpu time spent up to now is 103.7 secs Computing kpt #: 66 total cpu time spent up to now is 105.4 secs Computing kpt #: 67 total cpu time spent up to now is 107.2 secs Computing kpt #: 68 total cpu time spent up to now is 109.1 secs Computing kpt #: 69 total cpu time spent up to now is 111.3 secs Computing kpt #: 70 total cpu time spent up to now is 113.0 secs Computing kpt #: 71 total cpu time spent up to now is 114.7 secs Computing kpt #: 72 total cpu time spent up to now is 116.4 secs Computing kpt #: 73 total cpu time spent up to now is 118.2 secs Computing kpt #: 74 total cpu time spent up to now is 119.9 secs Computing kpt #: 75 total cpu time spent up to now is 121.7 secs Computing kpt #: 76 total cpu time spent up to now is 123.4 secs Computing kpt #: 77 total cpu time spent up to now is 125.2 secs Computing kpt #: 78 total cpu time spent up to now is 126.9 secs Computing kpt #: 79 total cpu time spent up to now is 128.7 secs Computing kpt #: 80 total cpu time spent up to now is 130.8 secs Computing kpt #: 81 total cpu time spent up to now is 132.6 secs Computing kpt #: 82 total cpu time spent up to now is 134.4 secs Computing kpt #: 83 total cpu time spent up to now is 136.3 secs Computing kpt #: 84 total cpu time spent up to now is 138.1 secs Computing kpt #: 85 total cpu time spent up to now is 139.9 secs Computing kpt #: 86 total cpu time spent up to now is 141.7 secs Computing kpt #: 87 total cpu time spent up to now is 143.4 secs Computing kpt #: 88 total cpu time spent up to now is 144.9 secs Computing kpt #: 89 total cpu time spent up to now is 146.3 secs Computing kpt #: 90 total cpu time spent up to now is 147.8 secs Computing kpt #: 91 total cpu time spent up to now is 149.2 secs Computing kpt #: 92 total cpu time spent up to now is 150.7 secs Computing kpt #: 93 total cpu time spent up to now is 152.2 secs Computing kpt #: 94 total cpu time spent up to now is 153.6 secs Computing kpt #: 95 total cpu time spent up to now is 155.1 secs Computing kpt #: 96 total cpu time spent up to now is 156.5 secs Computing kpt #: 97 total cpu time spent up to now is 157.9 secs Computing kpt #: 98 total cpu time spent up to now is 159.2 secs Computing kpt #: 99 total cpu time spent up to now is 160.6 secs Computing kpt #: 100 total cpu time spent up to now is 162.0 secs Computing kpt #: 101 total cpu time spent up to now is 163.3 secs Computing kpt #: 102 total cpu time spent up to now is 164.7 secs Computing kpt #: 103 total cpu time spent up to now is 166.1 secs Computing kpt #: 104 total cpu time spent up to now is 167.6 secs Computing kpt #: 105 total cpu time spent up to now is 169.2 secs Computing kpt #: 106 total cpu time spent up to now is 170.7 secs Computing kpt #: 107 total cpu time spent up to now is 172.1 secs Computing kpt #: 108 total cpu time spent up to now is 173.5 secs Computing kpt #: 109 total cpu time spent up to now is 174.9 secs Computing kpt #: 110 total cpu time spent up to now is 176.2 secs Computing kpt #: 111 total cpu time spent up to now is 177.6 secs Computing kpt #: 112 total cpu time spent up to now is 179.0 secs Computing kpt #: 113 total cpu time spent up to now is 180.4 secs Computing kpt #: 114 total cpu time spent up to now is 181.8 secs Computing kpt #: 115 total cpu time spent up to now is 183.1 secs Computing kpt #: 116 total cpu time spent up to now is 184.4 secs Computing kpt #: 117 total cpu time spent up to now is 185.8 secs Computing kpt #: 118 total cpu time spent up to now is 187.3 secs Computing kpt #: 119 total cpu time spent up to now is 188.6 secs Computing kpt #: 120 total cpu time spent up to now is 190.0 secs Computing kpt #: 121 total cpu time spent up to now is 191.2 secs Computing kpt #: 122 total cpu time spent up to now is 192.6 secs Computing kpt #: 123 total cpu time spent up to now is 193.9 secs Computing kpt #: 124 total cpu time spent up to now is 195.2 secs Computing kpt #: 125 total cpu time spent up to now is 196.5 secs Computing kpt #: 126 total cpu time spent up to now is 197.8 secs Computing kpt #: 127 total cpu time spent up to now is 199.1 secs Computing kpt #: 128 total cpu time spent up to now is 200.5 secs Computing kpt #: 129 total cpu time spent up to now is 201.8 secs Computing kpt #: 130 total cpu time spent up to now is 203.1 secs Computing kpt #: 131 total cpu time spent up to now is 204.4 secs Computing kpt #: 132 total cpu time spent up to now is 205.8 secs Computing kpt #: 133 total cpu time spent up to now is 207.2 secs Computing kpt #: 134 total cpu time spent up to now is 208.7 secs Computing kpt #: 135 total cpu time spent up to now is 210.1 secs Computing kpt #: 136 total cpu time spent up to now is 211.7 secs Computing kpt #: 137 total cpu time spent up to now is 213.3 secs Computing kpt #: 138 total cpu time spent up to now is 214.9 secs Computing kpt #: 139 total cpu time spent up to now is 216.5 secs Computing kpt #: 140 total cpu time spent up to now is 218.2 secs Computing kpt #: 141 total cpu time spent up to now is 219.8 secs Computing kpt #: 142 total cpu time spent up to now is 221.5 secs Computing kpt #: 143 total cpu time spent up to now is 223.1 secs Computing kpt #: 144 total cpu time spent up to now is 224.7 secs Computing kpt #: 145 total cpu time spent up to now is 226.1 secs Computing kpt #: 146 total cpu time spent up to now is 227.5 secs Computing kpt #: 147 total cpu time spent up to now is 228.9 secs Computing kpt #: 148 total cpu time spent up to now is 230.2 secs Computing kpt #: 149 total cpu time spent up to now is 231.6 secs Computing kpt #: 150 total cpu time spent up to now is 233.0 secs Computing kpt #: 151 total cpu time spent up to now is 234.4 secs Computing kpt #: 152 total cpu time spent up to now is 235.9 secs Computing kpt #: 153 total cpu time spent up to now is 237.2 secs Computing kpt #: 154 total cpu time spent up to now is 238.7 secs Computing kpt #: 155 total cpu time spent up to now is 240.1 secs Computing kpt #: 156 total cpu time spent up to now is 241.5 secs Computing kpt #: 157 total cpu time spent up to now is 242.9 secs Computing kpt #: 158 total cpu time spent up to now is 244.3 secs Computing kpt #: 159 total cpu time spent up to now is 245.7 secs Computing kpt #: 160 total cpu time spent up to now is 247.1 secs Computing kpt #: 161 total cpu time spent up to now is 248.5 secs Computing kpt #: 162 total cpu time spent up to now is 250.0 secs Computing kpt #: 163 total cpu time spent up to now is 251.4 secs Computing kpt #: 164 total cpu time spent up to now is 252.9 secs Computing kpt #: 165 total cpu time spent up to now is 254.4 secs Computing kpt #: 166 total cpu time spent up to now is 256.0 secs Computing kpt #: 167 total cpu time spent up to now is 257.5 secs Computing kpt #: 168 total cpu time spent up to now is 259.1 secs Computing kpt #: 169 total cpu time spent up to now is 260.8 secs Computing kpt #: 170 total cpu time spent up to now is 262.5 secs Computing kpt #: 171 total cpu time spent up to now is 264.2 secs Computing kpt #: 172 total cpu time spent up to now is 265.9 secs Computing kpt #: 173 total cpu time spent up to now is 267.7 secs Computing kpt #: 174 total cpu time spent up to now is 269.5 secs Computing kpt #: 175 total cpu time spent up to now is 271.2 secs Computing kpt #: 176 total cpu time spent up to now is 272.9 secs Computing kpt #: 177 total cpu time spent up to now is 274.6 secs Computing kpt #: 178 total cpu time spent up to now is 276.0 secs Computing kpt #: 179 total cpu time spent up to now is 277.6 secs Computing kpt #: 180 total cpu time spent up to now is 279.0 secs Computing kpt #: 181 total cpu time spent up to now is 280.5 secs Computing kpt #: 182 total cpu time spent up to now is 281.9 secs Computing kpt #: 183 total cpu time spent up to now is 283.3 secs Computing kpt #: 184 total cpu time spent up to now is 284.8 secs Computing kpt #: 185 total cpu time spent up to now is 286.2 secs Computing kpt #: 186 total cpu time spent up to now is 287.6 secs Computing kpt #: 187 total cpu time spent up to now is 289.1 secs Computing kpt #: 188 total cpu time spent up to now is 290.5 secs Computing kpt #: 189 total cpu time spent up to now is 291.9 secs Computing kpt #: 190 total cpu time spent up to now is 293.4 secs Computing kpt #: 191 total cpu time spent up to now is 294.9 secs Computing kpt #: 192 total cpu time spent up to now is 296.3 secs Computing kpt #: 193 total cpu time spent up to now is 297.7 secs Computing kpt #: 194 total cpu time spent up to now is 299.2 secs Computing kpt #: 195 total cpu time spent up to now is 300.6 secs Computing kpt #: 196 total cpu time spent up to now is 302.0 secs Computing kpt #: 197 total cpu time spent up to now is 303.3 secs Computing kpt #: 198 total cpu time spent up to now is 304.7 secs Computing kpt #: 199 total cpu time spent up to now is 306.1 secs Computing kpt #: 200 total cpu time spent up to now is 307.5 secs Computing kpt #: 201 total cpu time spent up to now is 308.8 secs Computing kpt #: 202 total cpu time spent up to now is 310.2 secs Computing kpt #: 203 total cpu time spent up to now is 311.5 secs Computing kpt #: 204 total cpu time spent up to now is 312.9 secs Computing kpt #: 205 total cpu time spent up to now is 314.2 secs Computing kpt #: 206 total cpu time spent up to now is 315.6 secs Computing kpt #: 207 total cpu time spent up to now is 316.9 secs Computing kpt #: 208 total cpu time spent up to now is 318.3 secs Computing kpt #: 209 total cpu time spent up to now is 319.6 secs Computing kpt #: 210 total cpu time spent up to now is 321.0 secs Computing kpt #: 211 total cpu time spent up to now is 322.3 secs Computing kpt #: 212 total cpu time spent up to now is 323.7 secs Computing kpt #: 213 total cpu time spent up to now is 325.1 secs Computing kpt #: 214 total cpu time spent up to now is 326.4 secs Computing kpt #: 215 total cpu time spent up to now is 327.7 secs Computing kpt #: 216 total cpu time spent up to now is 329.1 secs Computing kpt #: 217 total cpu time spent up to now is 330.4 secs Computing kpt #: 218 total cpu time spent up to now is 331.8 secs Computing kpt #: 219 total cpu time spent up to now is 333.1 secs Computing kpt #: 220 total cpu time spent up to now is 334.5 secs Computing kpt #: 221 total cpu time spent up to now is 335.9 secs Computing kpt #: 222 total cpu time spent up to now is 337.3 secs Computing kpt #: 223 total cpu time spent up to now is 338.6 secs Computing kpt #: 224 total cpu time spent up to now is 340.0 secs Computing kpt #: 225 total cpu time spent up to now is 341.4 secs Computing kpt #: 226 total cpu time spent up to now is 342.8 secs Computing kpt #: 227 total cpu time spent up to now is 344.2 secs Computing kpt #: 228 total cpu time spent up to now is 345.6 secs Computing kpt #: 229 total cpu time spent up to now is 346.9 secs Computing kpt #: 230 total cpu time spent up to now is 348.3 secs Computing kpt #: 231 total cpu time spent up to now is 349.8 secs Computing kpt #: 232 total cpu time spent up to now is 351.2 secs Computing kpt #: 233 total cpu time spent up to now is 352.6 secs Computing kpt #: 234 total cpu time spent up to now is 354.0 secs Computing kpt #: 235 total cpu time spent up to now is 355.4 secs Computing kpt #: 236 total cpu time spent up to now is 356.9 secs Computing kpt #: 237 total cpu time spent up to now is 358.3 secs Computing kpt #: 238 total cpu time spent up to now is 359.8 secs Computing kpt #: 239 total cpu time spent up to now is 361.2 secs Computing kpt #: 240 total cpu time spent up to now is 362.7 secs Computing kpt #: 241 total cpu time spent up to now is 364.2 secs Computing kpt #: 242 total cpu time spent up to now is 365.6 secs Computing kpt #: 243 total cpu time spent up to now is 367.0 secs Computing kpt #: 244 total cpu time spent up to now is 368.4 secs Computing kpt #: 245 total cpu time spent up to now is 369.8 secs Computing kpt #: 246 total cpu time spent up to now is 371.3 secs Computing kpt #: 247 total cpu time spent up to now is 372.7 secs Computing kpt #: 248 total cpu time spent up to now is 374.2 secs Computing kpt #: 249 total cpu time spent up to now is 375.6 secs Computing kpt #: 250 total cpu time spent up to now is 377.0 secs Computing kpt #: 251 total cpu time spent up to now is 378.4 secs Computing kpt #: 252 total cpu time spent up to now is 379.9 secs Computing kpt #: 253 total cpu time spent up to now is 381.4 secs Computing kpt #: 254 total cpu time spent up to now is 383.0 secs Computing kpt #: 255 total cpu time spent up to now is 384.6 secs Computing kpt #: 256 total cpu time spent up to now is 386.2 secs Computing kpt #: 257 total cpu time spent up to now is 387.9 secs Computing kpt #: 258 total cpu time spent up to now is 389.5 secs Computing kpt #: 259 total cpu time spent up to now is 391.2 secs Computing kpt #: 260 total cpu time spent up to now is 392.6 secs Computing kpt #: 261 total cpu time spent up to now is 394.1 secs Computing kpt #: 262 total cpu time spent up to now is 395.6 secs Computing kpt #: 263 total cpu time spent up to now is 397.0 secs Computing kpt #: 264 total cpu time spent up to now is 398.5 secs Computing kpt #: 265 total cpu time spent up to now is 399.9 secs Computing kpt #: 266 total cpu time spent up to now is 401.3 secs Computing kpt #: 267 total cpu time spent up to now is 402.8 secs Computing kpt #: 268 total cpu time spent up to now is 404.2 secs Computing kpt #: 269 total cpu time spent up to now is 405.5 secs Computing kpt #: 270 total cpu time spent up to now is 406.8 secs Computing kpt #: 271 total cpu time spent up to now is 408.2 secs Computing kpt #: 272 total cpu time spent up to now is 410.0 secs Computing kpt #: 273 total cpu time spent up to now is 411.6 secs Computing kpt #: 274 total cpu time spent up to now is 412.9 secs Computing kpt #: 275 total cpu time spent up to now is 414.3 secs Computing kpt #: 276 total cpu time spent up to now is 415.7 secs Computing kpt #: 277 total cpu time spent up to now is 417.2 secs Computing kpt #: 278 total cpu time spent up to now is 418.6 secs Computing kpt #: 279 total cpu time spent up to now is 420.1 secs Computing kpt #: 280 total cpu time spent up to now is 421.8 secs Computing kpt #: 281 total cpu time spent up to now is 423.4 secs Computing kpt #: 282 total cpu time spent up to now is 425.1 secs Computing kpt #: 283 total cpu time spent up to now is 426.8 secs Computing kpt #: 284 total cpu time spent up to now is 428.5 secs Computing kpt #: 285 total cpu time spent up to now is 430.1 secs Computing kpt #: 286 total cpu time spent up to now is 431.8 secs Computing kpt #: 287 total cpu time spent up to now is 433.4 secs Computing kpt #: 288 total cpu time spent up to now is 435.1 secs Computing kpt #: 289 total cpu time spent up to now is 436.7 secs Computing kpt #: 290 total cpu time spent up to now is 438.2 secs Computing kpt #: 291 total cpu time spent up to now is 439.7 secs Computing kpt #: 292 total cpu time spent up to now is 441.1 secs Computing kpt #: 293 total cpu time spent up to now is 442.5 secs Computing kpt #: 294 total cpu time spent up to now is 443.9 secs Computing kpt #: 295 total cpu time spent up to now is 445.4 secs Computing kpt #: 296 total cpu time spent up to now is 446.8 secs Computing kpt #: 297 total cpu time spent up to now is 448.2 secs Computing kpt #: 298 total cpu time spent up to now is 449.6 secs Computing kpt #: 299 total cpu time spent up to now is 451.1 secs Computing kpt #: 300 total cpu time spent up to now is 452.5 secs Computing kpt #: 301 total cpu time spent up to now is 454.0 secs Computing kpt #: 302 total cpu time spent up to now is 455.4 secs Computing kpt #: 303 total cpu time spent up to now is 456.9 secs Computing kpt #: 304 total cpu time spent up to now is 458.3 secs Computing kpt #: 305 total cpu time spent up to now is 459.8 secs Computing kpt #: 306 total cpu time spent up to now is 461.3 secs Computing kpt #: 307 total cpu time spent up to now is 462.7 secs Computing kpt #: 308 total cpu time spent up to now is 464.2 secs Computing kpt #: 309 total cpu time spent up to now is 465.7 secs Computing kpt #: 310 total cpu time spent up to now is 467.1 secs Computing kpt #: 311 total cpu time spent up to now is 468.6 secs Computing kpt #: 312 total cpu time spent up to now is 470.0 secs Computing kpt #: 313 total cpu time spent up to now is 471.4 secs Computing kpt #: 314 total cpu time spent up to now is 472.9 secs Computing kpt #: 315 total cpu time spent up to now is 474.3 secs Computing kpt #: 316 total cpu time spent up to now is 475.8 secs Computing kpt #: 317 total cpu time spent up to now is 477.2 secs Computing kpt #: 318 total cpu time spent up to now is 478.9 secs Computing kpt #: 319 total cpu time spent up to now is 480.4 secs Computing kpt #: 320 total cpu time spent up to now is 481.9 secs Computing kpt #: 321 total cpu time spent up to now is 483.3 secs Computing kpt #: 322 total cpu time spent up to now is 484.8 secs Computing kpt #: 323 total cpu time spent up to now is 486.3 secs Computing kpt #: 324 total cpu time spent up to now is 487.8 secs Computing kpt #: 325 total cpu time spent up to now is 489.2 secs Computing kpt #: 326 total cpu time spent up to now is 490.7 secs Computing kpt #: 327 total cpu time spent up to now is 492.0 secs Computing kpt #: 328 total cpu time spent up to now is 493.5 secs Computing kpt #: 329 total cpu time spent up to now is 494.8 secs Computing kpt #: 330 total cpu time spent up to now is 496.2 secs Computing kpt #: 331 total cpu time spent up to now is 497.6 secs Computing kpt #: 332 total cpu time spent up to now is 499.0 secs Computing kpt #: 333 total cpu time spent up to now is 500.4 secs Computing kpt #: 334 total cpu time spent up to now is 501.7 secs Computing kpt #: 335 total cpu time spent up to now is 503.1 secs Computing kpt #: 336 total cpu time spent up to now is 504.6 secs Computing kpt #: 337 total cpu time spent up to now is 505.9 secs Computing kpt #: 338 total cpu time spent up to now is 507.3 secs Computing kpt #: 339 total cpu time spent up to now is 508.7 secs Computing kpt #: 340 total cpu time spent up to now is 510.0 secs ethr = 2.50E-08, avg # of iterations = 19.2 total cpu time spent up to now is 510.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 25453 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -10.0138 -10.0138 -9.4005 -9.4005 -9.2530 -9.2530 -8.9584 -8.9584 -5.0464 -5.0464 -4.6389 -4.6389 -4.3012 -4.3012 -4.1427 -4.1427 -4.0574 -4.0574 -3.8986 -3.8986 -3.6676 -3.6676 -3.5257 -3.5257 -3.4963 -3.4963 -3.3326 -3.3326 -3.3093 -3.3093 -3.2931 -3.2931 4.3042 4.3042 4.3449 4.3449 4.7926 4.7926 5.0039 5.0039 k = 0.0139-0.0000-0.0000 ( 25469 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -10.0132 -10.0132 -9.4002 -9.4002 -9.2528 -9.2528 -8.9586 -8.9586 -5.0456 -5.0456 -4.6390 -4.6390 -4.3007 -4.3007 -4.1426 -4.1426 -4.0600 -4.0600 -3.8987 -3.8987 -3.6689 -3.6689 -3.5304 -3.5304 -3.4941 -3.4941 -3.3300 -3.3300 -3.3143 -3.3143 -3.2904 -3.2904 4.3058 4.3058 4.3464 4.3464 4.7949 4.7949 5.0071 5.0071 k = 0.0278-0.0000-0.0000 ( 25471 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -10.0113 -10.0113 -9.3992 -9.3992 -9.2521 -9.2521 -8.9592 -8.9592 -5.0432 -5.0432 -4.6391 -4.6391 -4.2994 -4.2994 -4.1423 -4.1423 -4.0676 -4.0676 -3.8990 -3.8990 -3.6728 -3.6728 -3.5439 -3.5439 -3.4877 -3.4877 -3.3254 -3.3254 -3.3231 -3.3231 -3.2863 -3.2863 4.3108 4.3108 4.3508 4.3508 4.8017 4.8017 5.0169 5.0169 k = 0.0417-0.0000-0.0000 ( 25463 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -10.0082 -10.0082 -9.3975 -9.3975 -9.2510 -9.2510 -8.9601 -8.9601 -5.0392 -5.0392 -4.6394 -4.6394 -4.2972 -4.2972 -4.1419 -4.1419 -4.0797 -4.0797 -3.8995 -3.8995 -3.6792 -3.6792 -3.5642 -3.5642 -3.4775 -3.4775 -3.3396 -3.3396 -3.3137 -3.3137 -3.2835 -3.2835 4.3190 4.3190 4.3582 4.3582 4.8131 4.8131 5.0331 5.0331 k = 0.0556-0.0000-0.0000 ( 25467 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -10.0039 -10.0039 -9.3952 -9.3952 -9.2494 -9.2494 -8.9614 -8.9614 -5.0335 -5.0335 -4.6398 -4.6398 -4.2941 -4.2941 -4.1412 -4.1412 -4.0954 -4.0954 -3.9001 -3.9001 -3.6881 -3.6881 -3.5897 -3.5897 -3.4643 -3.4643 -3.3566 -3.3566 -3.3034 -3.3034 -3.2824 -3.2824 4.3304 4.3304 4.3685 4.3685 4.8288 4.8288 5.0557 5.0557 k = 0.0694-0.0000-0.0000 ( 25473 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -9.9983 -9.9983 -9.3923 -9.3923 -9.2474 -9.2474 -8.9632 -8.9632 -5.0264 -5.0264 -4.6406 -4.6406 -4.2903 -4.2903 -4.1405 -4.1405 -4.1139 -4.1139 -3.9010 -3.9010 -3.6993 -3.6993 -3.6189 -3.6189 -3.4489 -3.4489 -3.3761 -3.3761 -3.2935 -3.2935 -3.2830 -3.2830 4.3448 4.3448 4.3814 4.3814 4.8488 4.8488 5.0844 5.0844 k = 0.0833-0.0000-0.0000 ( 25471 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -9.9916 -9.9916 -9.3887 -9.3887 -9.2451 -9.2451 -8.9654 -8.9654 -5.0176 -5.0176 -4.6419 -4.6419 -4.2856 -4.2856 -4.1397 -4.1397 -4.1341 -4.1341 -3.9021 -3.9021 -3.7127 -3.7127 -3.6509 -3.6509 -3.4319 -3.4319 -3.3982 -3.3982 -3.2853 -3.2853 -3.2849 -3.2849 4.3622 4.3622 4.3969 4.3969 4.8730 4.8730 5.1191 5.1191 k = 0.0972-0.0000-0.0000 ( 25455 PWs) bands (ev): -46.0653 -46.0653 -46.0647 -46.0647 -46.0639 -46.0639 -46.0638 -46.0638 -9.9836 -9.9836 -9.3845 -9.3845 -9.2423 -9.2423 -8.9680 -8.9680 -5.0072 -5.0072 -4.6438 -4.6438 -4.2802 -4.2802 -4.1552 -4.1552 -4.1387 -4.1387 -3.9036 -3.9036 -3.7281 -3.7281 -3.6850 -3.6850 -3.4226 -3.4226 -3.4141 -3.4141 -3.2892 -3.2892 -3.2780 -3.2780 4.3824 4.3824 4.4146 4.4146 4.9011 4.9011 5.1595 5.1595 k = 0.1111-0.0000-0.0000 ( 25435 PWs) bands (ev): -46.0653 -46.0653 -46.0647 -46.0647 -46.0639 -46.0639 -46.0638 -46.0638 -9.9744 -9.9744 -9.3797 -9.3797 -9.2392 -9.2392 -8.9712 -8.9712 -4.9953 -4.9953 -4.6466 -4.6466 -4.2742 -4.2742 -4.1762 -4.1762 -4.1379 -4.1379 -3.9053 -3.9053 -3.7452 -3.7452 -3.7207 -3.7207 -3.4492 -3.4492 -3.3962 -3.3962 -3.2945 -3.2945 -3.2733 -3.2733 4.4052 4.4052 4.4344 4.4344 4.9328 4.9328 5.2053 5.2053 k = 0.1250-0.0000-0.0000 ( 25457 PWs) bands (ev): -46.0653 -46.0653 -46.0647 -46.0647 -46.0639 -46.0639 -46.0639 -46.0639 -9.9641 -9.9641 -9.3743 -9.3743 -9.2357 -9.2357 -8.9749 -8.9749 -4.9819 -4.9819 -4.6504 -4.6504 -4.2677 -4.2677 -4.1964 -4.1964 -4.1373 -4.1373 -3.9076 -3.9076 -3.7638 -3.7638 -3.7573 -3.7573 -3.4779 -3.4779 -3.3785 -3.3785 -3.3012 -3.3012 -3.2710 -3.2710 4.4304 4.4304 4.4559 4.4559 4.9679 4.9679 5.2561 5.2561 k = 0.1389-0.0000-0.0000 ( 25453 PWs) bands (ev): -46.0652 -46.0652 -46.0647 -46.0647 -46.0639 -46.0639 -46.0639 -46.0639 -9.9526 -9.9526 -9.3684 -9.3684 -9.2319 -9.2319 -8.9791 -8.9791 -4.9670 -4.9670 -4.6554 -4.6554 -4.2607 -4.2607 -4.2150 -4.2150 -4.1369 -4.1369 -3.9106 -3.9106 -3.7943 -3.7943 -3.7836 -3.7836 -3.5084 -3.5084 -3.3615 -3.3615 -3.3092 -3.3092 -3.2711 -3.2711 4.4579 4.4579 4.4786 4.4786 5.0061 5.0061 5.3116 5.3116 k = 0.1528-0.0000-0.0000 ( 25439 PWs) bands (ev): -46.0652 -46.0652 -46.0647 -46.0647 -46.0639 -46.0639 -46.0639 -46.0639 -9.9400 -9.9400 -9.3620 -9.3620 -9.2279 -9.2279 -8.9839 -8.9839 -4.9506 -4.9506 -4.6619 -4.6619 -4.2535 -4.2535 -4.2315 -4.2315 -4.1371 -4.1371 -3.9149 -3.9149 -3.8309 -3.8309 -3.8042 -3.8042 -3.5405 -3.5405 -3.3455 -3.3455 -3.3183 -3.3183 -3.2738 -3.2738 4.4875 4.4875 4.5021 4.5021 5.0469 5.0469 5.3565 5.3565 k = 0.1667-0.0000-0.0000 ( 25443 PWs) bands (ev): -46.0652 -46.0652 -46.0647 -46.0647 -46.0639 -46.0639 -46.0639 -46.0639 -9.9263 -9.9263 -9.3552 -9.3552 -9.2236 -9.2236 -8.9894 -8.9894 -4.9327 -4.9327 -4.6698 -4.6698 -4.2462 -4.2462 -4.2453 -4.2453 -4.1379 -4.1379 -3.9226 -3.9226 -3.8649 -3.8649 -3.8252 -3.8252 -3.5739 -3.5739 -3.3308 -3.3308 -3.3284 -3.3284 -3.2791 -3.2791 4.5190 4.5190 4.5259 4.5259 5.0899 5.0899 5.3409 5.3409 k = 0.1806-0.0000-0.0000 ( 25441 PWs) bands (ev): -46.0652 -46.0652 -46.0647 -46.0647 -46.0640 -46.0640 -46.0639 -46.0639 -9.9115 -9.9115 -9.3478 -9.3478 -9.2191 -9.2191 -8.9956 -8.9956 -4.9133 -4.9133 -4.6792 -4.6792 -4.2564 -4.2564 -4.2389 -4.2389 -4.1398 -4.1398 -3.9389 -3.9389 -3.8905 -3.8905 -3.8460 -3.8460 -3.6082 -3.6082 -3.3396 -3.3396 -3.3176 -3.3176 -3.2869 -3.2869 4.5494 4.5494 4.5522 4.5522 5.1345 5.1345 5.3295 5.3295 k = 0.1944-0.0000-0.0000 ( 25443 PWs) bands (ev): -46.0652 -46.0652 -46.0647 -46.0647 -46.0640 -46.0640 -46.0639 -46.0639 -9.8956 -9.8956 -9.3401 -9.3401 -9.2145 -9.2145 -9.0025 -9.0025 -4.8926 -4.8926 -4.6900 -4.6900 -4.2642 -4.2642 -4.2321 -4.2321 -4.1430 -4.1430 -3.9676 -3.9676 -3.9041 -3.9041 -3.8661 -3.8661 -3.6430 -3.6430 -3.3515 -3.3515 -3.3060 -3.3060 -3.2973 -3.2973 4.5720 4.5720 4.5869 4.5869 5.1803 5.1803 5.3229 5.3229 k = 0.2083-0.0000-0.0000 ( 25451 PWs) bands (ev): -46.0652 -46.0652 -46.0647 -46.0647 -46.0640 -46.0640 -46.0639 -46.0639 -9.8788 -9.8788 -9.3320 -9.3320 -9.2097 -9.2097 -9.0102 -9.0102 -4.8705 -4.8705 -4.7019 -4.7019 -4.2689 -4.2689 -4.2261 -4.2261 -4.1481 -4.1481 -4.0025 -4.0025 -3.9116 -3.9116 -3.8849 -3.8849 -3.6779 -3.6779 -3.3641 -3.3641 -3.3101 -3.3101 -3.2962 -3.2962 4.5930 4.5930 4.6231 4.6231 5.2265 5.2265 5.3217 5.3217 k = 0.2222-0.0000-0.0000 ( 25439 PWs) bands (ev): -46.0651 -46.0651 -46.0646 -46.0646 -46.0640 -46.0640 -46.0639 -46.0639 -9.8610 -9.8610 -9.3236 -9.3236 -9.2049 -9.2049 -9.0186 -9.0186 -4.8470 -4.8470 -4.7146 -4.7146 -4.2706 -4.2706 -4.2213 -4.2213 -4.1553 -4.1553 -4.0390 -4.0390 -3.9172 -3.9172 -3.9018 -3.9018 -3.7122 -3.7122 -3.3773 -3.3773 -3.3253 -3.3253 -3.2882 -3.2882 4.6120 4.6120 4.6606 4.6606 5.2726 5.2726 5.3263 5.3263 k = 0.2361-0.0000-0.0000 ( 25431 PWs) bands (ev): -46.0651 -46.0651 -46.0646 -46.0646 -46.0640 -46.0640 -46.0639 -46.0639 -9.8422 -9.8422 -9.3150 -9.3150 -9.2001 -9.2001 -9.0280 -9.0280 -4.8223 -4.8223 -4.7277 -4.7277 -4.2695 -4.2695 -4.2184 -4.2184 -4.1651 -4.1651 -4.0756 -4.0756 -3.9225 -3.9225 -3.9160 -3.9160 -3.7452 -3.7452 -3.3910 -3.3910 -3.3427 -3.3427 -3.2822 -3.2822 4.6286 4.6286 4.6992 4.6992 5.3179 5.3179 5.3372 5.3372 k = 0.2500-0.0000-0.0000 ( 25427 PWs) bands (ev): -46.0651 -46.0651 -46.0646 -46.0646 -46.0640 -46.0640 -46.0639 -46.0639 -9.8225 -9.8225 -9.3061 -9.3061 -9.1953 -9.1953 -9.0382 -9.0382 -4.7963 -4.7963 -4.7407 -4.7407 -4.2658 -4.2658 -4.2180 -4.2180 -4.1776 -4.1776 -4.1118 -4.1118 -3.9280 -3.9280 -3.9273 -3.9273 -3.7763 -3.7763 -3.4049 -3.4049 -3.3622 -3.3622 -3.2780 -3.2780 4.6426 4.6426 4.7388 4.7388 5.3542 5.3542 5.3616 5.3616 k = 0.2639-0.0000-0.0000 ( 25431 PWs) bands (ev): -46.0651 -46.0651 -46.0646 -46.0646 -46.0641 -46.0641 -46.0639 -46.0639 -9.8020 -9.8020 -9.2971 -9.2971 -9.1906 -9.1906 -9.0493 -9.0493 -4.7691 -4.7691 -4.7532 -4.7532 -4.2598 -4.2598 -4.2209 -4.2209 -4.1928 -4.1928 -4.1470 -4.1470 -3.9357 -3.9357 -3.9335 -3.9335 -3.8045 -3.8045 -3.4190 -3.4190 -3.3836 -3.3836 -3.2758 -3.2758 4.6541 4.6541 4.7794 4.7794 5.3774 5.3774 5.4031 5.4031 k = 0.2778-0.0000-0.0000 ( 25451 PWs) bands (ev): -46.0650 -46.0650 -46.0646 -46.0646 -46.0641 -46.0641 -46.0640 -46.0640 -9.7807 -9.7807 -9.2879 -9.2879 -9.1861 -9.1861 -9.0614 -9.0614 -4.7650 -4.7650 -4.7408 -4.7408 -4.2517 -4.2517 -4.2279 -4.2279 -4.2103 -4.2103 -4.1812 -4.1812 -3.9410 -3.9410 -3.9397 -3.9397 -3.8292 -3.8292 -3.4330 -3.4330 -3.4068 -3.4068 -3.2755 -3.2755 4.6634 4.6634 4.8208 4.8208 5.4062 5.4062 5.4418 5.4418 k = 0.2917-0.0000-0.0000 ( 25443 PWs) bands (ev): -46.0650 -46.0650 -46.0645 -46.0645 -46.0641 -46.0641 -46.0640 -46.0640 -9.7586 -9.7586 -9.2787 -9.2787 -9.1817 -9.1817 -9.0745 -9.0745 -4.7755 -4.7755 -4.7114 -4.7114 -4.2419 -4.2419 -4.2395 -4.2395 -4.2298 -4.2298 -4.2140 -4.2140 -3.9466 -3.9466 -3.9436 -3.9436 -3.8496 -3.8496 -3.4467 -3.4467 -3.4315 -3.4315 -3.2770 -3.2770 4.6710 4.6710 4.8629 4.8629 5.4401 5.4401 5.4771 5.4771 k = 0.3056-0.0000-0.0000 ( 25433 PWs) bands (ev): -46.0650 -46.0650 -46.0645 -46.0645 -46.0641 -46.0641 -46.0640 -46.0640 -9.7358 -9.7358 -9.2694 -9.2694 -9.1776 -9.1776 -9.0885 -9.0885 -4.7845 -4.7845 -4.6810 -4.6810 -4.2560 -4.2560 -4.2506 -4.2506 -4.2452 -4.2452 -4.2305 -4.2305 -3.9541 -3.9541 -3.9438 -3.9438 -3.8656 -3.8656 -3.4598 -3.4598 -3.4575 -3.4575 -3.2803 -3.2803 4.6773 4.6773 4.9056 4.9056 5.4694 5.4694 5.4784 5.4784 k = 0.3194-0.0000-0.0000 ( 25423 PWs) bands (ev): -46.0650 -46.0650 -46.0645 -46.0645 -46.0641 -46.0641 -46.0640 -46.0640 -9.7123 -9.7123 -9.2602 -9.2602 -9.1737 -9.1737 -9.1035 -9.1035 -4.7917 -4.7917 -4.6496 -4.6496 -4.2772 -4.2772 -4.2748 -4.2748 -4.2721 -4.2721 -4.2177 -4.2177 -3.9625 -3.9625 -3.9421 -3.9421 -3.8775 -3.8775 -3.4847 -3.4847 -3.4721 -3.4721 -3.2854 -3.2854 4.6829 4.6829 4.9489 4.9489 5.4143 5.4143 5.5205 5.5205 k = 0.3333-0.0000-0.0000 ( 25425 PWs) bands (ev): -46.0649 -46.0649 -46.0645 -46.0645 -46.0642 -46.0642 -46.0640 -46.0640 -9.6883 -9.6883 -9.2511 -9.2511 -9.1702 -9.1702 -9.1195 -9.1195 -4.7970 -4.7970 -4.6174 -4.6174 -4.3028 -4.3028 -4.3023 -4.3023 -4.2938 -4.2938 -4.2037 -4.2037 -3.9718 -3.9718 -3.9387 -3.9387 -3.8860 -3.8860 -3.5127 -3.5127 -3.4833 -3.4833 -3.2920 -3.2920 4.6883 4.6883 4.9925 4.9925 5.3605 5.3605 5.5588 5.5588 k = 0.3472-0.0000-0.0000 ( 25433 PWs) bands (ev): -46.0649 -46.0649 -46.0645 -46.0645 -46.0642 -46.0642 -46.0640 -46.0640 -9.6637 -9.6637 -9.2422 -9.2422 -9.1671 -9.1671 -9.1365 -9.1365 -4.8001 -4.8001 -4.5845 -4.5845 -4.3311 -4.3311 -4.3284 -4.3284 -4.3153 -4.3153 -4.1887 -4.1887 -3.9822 -3.9822 -3.9339 -3.9339 -3.8920 -3.8920 -3.5413 -3.5413 -3.4930 -3.4930 -3.3003 -3.3003 4.6940 4.6940 5.0365 5.0365 5.3080 5.3080 5.5772 5.5772 k = 0.3611-0.0000-0.0000 ( 25437 PWs) bands (ev): -46.0649 -46.0649 -46.0644 -46.0644 -46.0642 -46.0642 -46.0640 -46.0640 -9.6387 -9.6387 -9.2335 -9.2335 -9.1645 -9.1645 -9.1545 -9.1545 -4.8009 -4.8009 -4.5509 -4.5509 -4.3621 -4.3621 -4.3522 -4.3522 -4.3361 -4.3361 -4.1728 -4.1728 -3.9939 -3.9939 -3.9279 -3.9279 -3.8966 -3.8966 -3.5702 -3.5702 -3.5009 -3.5009 -3.3099 -3.3099 4.7005 4.7005 5.0805 5.0805 5.2572 5.2572 5.5909 5.5909 k = 0.3750-0.0000-0.0000 ( 25425 PWs) bands (ev): -46.0648 -46.0648 -46.0644 -46.0644 -46.0643 -46.0643 -46.0641 -46.0641 -9.6133 -9.6133 -9.2251 -9.2251 -9.1734 -9.1734 -9.1623 -9.1623 -4.7993 -4.7993 -4.5169 -4.5169 -4.3948 -4.3948 -4.3738 -4.3738 -4.3560 -4.3560 -4.1561 -4.1561 -4.0070 -4.0070 -3.9209 -3.9209 -3.9008 -3.9008 -3.5991 -3.5991 -3.5066 -3.5066 -3.3208 -3.3208 4.7081 4.7081 5.1246 5.1246 5.2081 5.2081 5.6000 5.6000 k = 0.3889-0.0000-0.0000 ( 25427 PWs) bands (ev): -46.0648 -46.0648 -46.0644 -46.0644 -46.0643 -46.0643 -46.0641 -46.0641 -9.5875 -9.5875 -9.2170 -9.2170 -9.1932 -9.1932 -9.1606 -9.1606 -4.7953 -4.7953 -4.4826 -4.4826 -4.4283 -4.4283 -4.3931 -4.3931 -4.3744 -4.3744 -4.1389 -4.1389 -4.0216 -4.0216 -3.9129 -3.9129 -3.9053 -3.9053 -3.6276 -3.6276 -3.5098 -3.5098 -3.3329 -3.3329 4.7171 4.7171 5.1608 5.1608 5.1686 5.1686 5.6045 5.6045 k = 0.4028-0.0000-0.0000 ( 25421 PWs) bands (ev): -46.0648 -46.0648 -46.0644 -46.0644 -46.0643 -46.0643 -46.0641 -46.0641 -9.5615 -9.5615 -9.2139 -9.2139 -9.2092 -9.2092 -9.1595 -9.1595 -4.7887 -4.7887 -4.4621 -4.4621 -4.4486 -4.4486 -4.4101 -4.4101 -4.3908 -4.3908 -4.1211 -4.1211 -4.0380 -4.0380 -3.9110 -3.9110 -3.9039 -3.9039 -3.6555 -3.6555 -3.5105 -3.5105 -3.3460 -3.3460 4.7278 4.7278 5.1156 5.1156 5.2121 5.2121 5.6043 5.6043 k = 0.4167-0.0000-0.0000 ( 25421 PWs) bands (ev): -46.0647 -46.0647 -46.0643 -46.0643 -46.0643 -46.0643 -46.0641 -46.0641 -9.5353 -9.5353 -9.2354 -9.2354 -9.2019 -9.2019 -9.1590 -9.1590 -4.7796 -4.7796 -4.4957 -4.4957 -4.4248 -4.4248 -4.4208 -4.4208 -4.3992 -4.3992 -4.1030 -4.1030 -4.0563 -4.0563 -3.9182 -3.9182 -3.8941 -3.8941 -3.6825 -3.6825 -3.5084 -3.5084 -3.3599 -3.3599 4.7404 4.7404 5.0725 5.0725 5.2550 5.2550 5.5996 5.5996 k = 0.4306-0.0000-0.0000 ( 25405 PWs) bands (ev): -46.0647 -46.0647 -46.0644 -46.0644 -46.0643 -46.0643 -46.0641 -46.0641 -9.5090 -9.5090 -9.2577 -9.2577 -9.1951 -9.1951 -9.1591 -9.1591 -4.7680 -4.7680 -4.5286 -4.5286 -4.4369 -4.4369 -4.4248 -4.4248 -4.3740 -4.3740 -4.0847 -4.0847 -4.0766 -4.0766 -3.9271 -3.9271 -3.8834 -3.8834 -3.7082 -3.7082 -3.5037 -3.5037 -3.3745 -3.3745 4.7550 4.7550 5.0316 5.0316 5.2970 5.2970 5.5904 5.5904 k = 0.4444-0.0000-0.0000 ( 25407 PWs) bands (ev): -46.0647 -46.0647 -46.0644 -46.0644 -46.0643 -46.0643 -46.0641 -46.0641 -9.4827 -9.4827 -9.2807 -9.2807 -9.1888 -9.1888 -9.1598 -9.1598 -4.7538 -4.7538 -4.5606 -4.5606 -4.4465 -4.4465 -4.4356 -4.4356 -4.3403 -4.3403 -4.0990 -4.0990 -4.0663 -4.0663 -3.9377 -3.9377 -3.8717 -3.8717 -3.7326 -3.7326 -3.4966 -3.4966 -3.3895 -3.3895 4.7718 4.7718 4.9930 4.9930 5.3378 5.3378 5.5767 5.5767 k = 0.4583-0.0000-0.0000 ( 25395 PWs) bands (ev): -46.0646 -46.0646 -46.0644 -46.0644 -46.0643 -46.0643 -46.0642 -46.0642 -9.4564 -9.4564 -9.3044 -9.3044 -9.1830 -9.1830 -9.1612 -9.1612 -4.7372 -4.7372 -4.5913 -4.5913 -4.4537 -4.4537 -4.4449 -4.4449 -4.3063 -4.3063 -4.1235 -4.1235 -4.0480 -4.0480 -3.9500 -3.9500 -3.8590 -3.8590 -3.7553 -3.7553 -3.4873 -3.4873 -3.4049 -3.4049 4.7910 4.7910 4.9568 4.9568 5.3771 5.3771 5.5588 5.5588 k = 0.4722-0.0000-0.0000 ( 25395 PWs) bands (ev): -46.0646 -46.0646 -46.0645 -46.0645 -46.0643 -46.0643 -46.0642 -46.0642 -9.4303 -9.4303 -9.3287 -9.3287 -9.1778 -9.1778 -9.1632 -9.1632 -4.7182 -4.7182 -4.6204 -4.6204 -4.4583 -4.4583 -4.4523 -4.4523 -4.2728 -4.2728 -4.1501 -4.1501 -4.0299 -4.0299 -3.9639 -3.9639 -3.8452 -3.8452 -3.7764 -3.7764 -3.4762 -3.4762 -3.4202 -3.4202 4.8125 4.8125 4.9230 4.9230 5.4144 5.4144 5.5368 5.5368 k = 0.4861-0.0000-0.0000 ( 25398 PWs) bands (ev): -46.0646 -46.0646 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.4044 -9.4044 -9.3535 -9.3535 -9.1732 -9.1732 -9.1659 -9.1659 -4.6969 -4.6969 -4.6479 -4.6479 -4.4605 -4.4605 -4.4574 -4.4574 -4.2401 -4.2401 -4.1785 -4.1785 -4.0123 -4.0123 -3.9790 -3.9790 -3.8301 -3.8301 -3.7959 -3.7959 -3.4636 -3.4636 -3.4353 -3.4353 4.8364 4.8364 4.8917 4.8917 5.4495 5.4495 5.5110 5.5110 k = 0.5000-0.0000-0.0000 ( 25392 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3788 -9.3788 -9.3788 -9.3788 -9.1692 -9.1692 -9.1692 -9.1692 -4.6734 -4.6734 -4.6734 -4.6734 -4.4602 -4.4602 -4.4602 -4.4602 -4.2086 -4.2086 -4.2086 -4.2086 -3.9952 -3.9952 -3.9952 -3.9952 -3.8137 -3.8137 -3.8137 -3.8137 -3.4498 -3.4498 -3.4498 -3.4498 4.8628 4.8628 4.8628 4.8628 5.4818 5.4818 5.4818 5.4818 k = 0.5000-0.0000-0.0000 ( 25392 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3788 -9.3788 -9.3788 -9.3788 -9.1692 -9.1692 -9.1692 -9.1692 -4.6734 -4.6734 -4.6734 -4.6734 -4.4602 -4.4602 -4.4602 -4.4602 -4.2086 -4.2086 -4.2086 -4.2086 -3.9952 -3.9952 -3.9952 -3.9952 -3.8137 -3.8137 -3.8137 -3.8137 -3.4498 -3.4498 -3.4498 -3.4498 4.8628 4.8628 4.8628 4.8628 5.4818 5.4818 5.4818 5.4818 k = 0.5000 0.0137-0.0000 ( 25402 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3786 -9.3786 -9.3786 -9.3786 -9.1693 -9.1693 -9.1693 -9.1693 -4.6755 -4.6755 -4.6755 -4.6755 -4.4587 -4.4587 -4.4587 -4.4587 -4.2084 -4.2084 -4.2084 -4.2084 -4.0003 -4.0003 -4.0002 -4.0002 -3.8083 -3.8083 -3.8082 -3.8082 -3.4496 -3.4496 -3.4495 -3.4495 4.8621 4.8621 4.8621 4.8621 5.4850 5.4850 5.4850 5.4850 k = 0.5000 0.0274-0.0000 ( 25408 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3782 -9.3782 -9.3782 -9.3782 -9.1696 -9.1696 -9.1696 -9.1696 -4.6815 -4.6815 -4.6815 -4.6815 -4.4546 -4.4546 -4.4546 -4.4546 -4.2077 -4.2077 -4.2077 -4.2077 -4.0137 -4.0137 -4.0136 -4.0136 -3.7934 -3.7934 -3.7932 -3.7932 -3.4487 -3.4487 -3.4486 -3.4486 4.8602 4.8602 4.8602 4.8602 5.4944 5.4944 5.4944 5.4944 k = 0.5000 0.0410-0.0000 ( 25404 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3775 -9.3775 -9.3775 -9.3775 -9.1700 -9.1700 -9.1700 -9.1700 -4.6908 -4.6908 -4.6907 -4.6907 -4.4485 -4.4485 -4.4484 -4.4484 -4.2067 -4.2067 -4.2067 -4.2067 -4.0322 -4.0322 -4.0321 -4.0321 -3.7722 -3.7722 -3.7720 -3.7720 -3.4473 -3.4473 -3.4471 -3.4471 4.8574 4.8574 4.8574 4.8574 5.5096 5.5096 5.5096 5.5096 k = 0.5000 0.0547-0.0000 ( 25402 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3766 -9.3766 -9.3766 -9.3766 -9.1706 -9.1706 -9.1706 -9.1706 -4.7026 -4.7026 -4.7026 -4.7026 -4.4411 -4.4411 -4.4411 -4.4411 -4.2054 -4.2054 -4.2054 -4.2054 -4.0531 -4.0531 -4.0531 -4.0531 -3.7474 -3.7474 -3.7471 -3.7471 -3.4453 -3.4453 -3.4450 -3.4450 4.8540 4.8540 4.8540 4.8540 5.5301 5.5301 5.5301 5.5301 k = 0.5000 0.0684-0.0000 ( 25414 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3754 -9.3754 -9.3754 -9.3754 -9.1714 -9.1714 -9.1714 -9.1714 -4.7163 -4.7163 -4.7162 -4.7162 -4.4334 -4.4334 -4.4334 -4.4334 -4.2040 -4.2040 -4.2040 -4.2040 -4.0745 -4.0745 -4.0745 -4.0745 -3.7207 -3.7207 -3.7203 -3.7203 -3.4427 -3.4427 -3.4424 -3.4424 4.8505 4.8505 4.8505 4.8505 5.5550 5.5550 5.5550 5.5550 k = 0.5000 0.0821-0.0000 ( 25424 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3740 -9.3740 -9.3740 -9.3740 -9.1724 -9.1724 -9.1724 -9.1724 -4.7312 -4.7312 -4.7311 -4.7311 -4.4262 -4.4262 -4.4262 -4.4262 -4.2025 -4.2025 -4.2025 -4.2025 -4.0952 -4.0952 -4.0951 -4.0951 -3.6930 -3.6930 -3.6926 -3.6926 -3.4395 -3.4395 -3.4392 -3.4392 4.8475 4.8475 4.8475 4.8475 5.5833 5.5833 5.5834 5.5834 k = 0.5000 0.0958-0.0000 ( 25428 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3724 -9.3724 -9.3724 -9.3724 -9.1735 -9.1735 -9.1735 -9.1735 -4.7468 -4.7468 -4.7467 -4.7467 -4.4200 -4.4200 -4.4200 -4.4200 -4.2014 -4.2014 -4.2013 -4.2013 -4.1140 -4.1140 -4.1138 -4.1138 -3.6650 -3.6650 -3.6646 -3.6646 -3.4358 -3.4358 -3.4354 -3.4354 4.8452 4.8452 4.8452 4.8452 5.6142 5.6142 5.6142 5.6142 k = 0.5000 0.1094-0.0000 ( 25422 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3706 -9.3706 -9.3706 -9.3706 -9.1748 -9.1748 -9.1748 -9.1748 -4.7626 -4.7626 -4.7625 -4.7625 -4.4156 -4.4156 -4.4156 -4.4156 -4.2010 -4.2010 -4.2007 -4.2007 -4.1299 -4.1299 -4.1296 -4.1296 -3.6373 -3.6373 -3.6368 -3.6368 -3.4317 -3.4317 -3.4312 -3.4312 4.8443 4.8443 4.8443 4.8443 5.6462 5.6462 5.6462 5.6462 k = 0.5000 0.1231-0.0000 ( 25420 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3686 -9.3686 -9.3686 -9.3686 -9.1762 -9.1762 -9.1762 -9.1762 -4.7784 -4.7784 -4.7784 -4.7784 -4.4134 -4.4134 -4.4133 -4.4133 -4.2016 -4.2016 -4.2012 -4.2012 -4.1422 -4.1422 -4.1417 -4.1417 -3.6100 -3.6100 -3.6096 -3.6096 -3.4270 -3.4270 -3.4265 -3.4265 4.8449 4.8449 4.8449 4.8449 5.6779 5.6779 5.6779 5.6779 k = 0.5000 0.1368-0.0000 ( 25432 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3665 -9.3665 -9.3665 -9.3665 -9.1777 -9.1777 -9.1777 -9.1777 -4.7940 -4.7940 -4.7939 -4.7939 -4.4137 -4.4137 -4.4136 -4.4136 -4.2034 -4.2034 -4.2028 -4.2028 -4.1504 -4.1504 -4.1498 -4.1498 -3.5836 -3.5836 -3.5831 -3.5831 -3.4219 -3.4219 -3.4214 -3.4214 4.8473 4.8473 4.8474 4.8474 5.7075 5.7075 5.7076 5.7076 k = 0.5000 0.1505-0.0000 ( 25428 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3642 -9.3642 -9.3642 -9.3642 -9.1793 -9.1793 -9.1793 -9.1793 -4.8091 -4.8091 -4.8090 -4.8090 -4.4166 -4.4166 -4.4165 -4.4165 -4.2057 -4.2057 -4.2050 -4.2050 -4.1549 -4.1549 -4.1541 -4.1541 -3.5582 -3.5582 -3.5576 -3.5576 -3.4165 -3.4165 -3.4159 -3.4159 4.8518 4.8518 4.8519 4.8519 5.7329 5.7329 5.7330 5.7330 k = 0.5000 0.1642-0.0000 ( 25446 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3619 -9.3619 -9.3619 -9.3619 -9.1810 -9.1810 -9.1810 -9.1810 -4.8235 -4.8235 -4.8234 -4.8234 -4.4219 -4.4219 -4.4219 -4.4219 -4.2077 -4.2077 -4.2070 -4.2070 -4.1568 -4.1568 -4.1560 -4.1560 -3.5340 -3.5340 -3.5334 -3.5334 -3.4108 -3.4108 -3.4101 -3.4101 4.8585 4.8585 4.8585 4.8585 5.7516 5.7516 5.7517 5.7517 k = 0.5000 0.1778-0.0000 ( 25436 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3595 -9.3595 -9.3595 -9.3595 -9.1827 -9.1827 -9.1827 -9.1827 -4.8371 -4.8371 -4.8371 -4.8371 -4.4293 -4.4293 -4.4293 -4.4293 -4.2087 -4.2087 -4.2080 -4.2080 -4.1573 -4.1573 -4.1564 -4.1564 -3.5112 -3.5112 -3.5106 -3.5106 -3.4049 -3.4049 -3.4042 -3.4042 4.8675 4.8675 4.8675 4.8675 5.7613 5.7613 5.7614 5.7614 k = 0.5000 0.1915-0.0000 ( 25424 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3571 -9.3571 -9.3571 -9.3571 -9.1844 -9.1844 -9.1844 -9.1844 -4.8499 -4.8499 -4.8498 -4.8498 -4.4382 -4.4382 -4.4382 -4.4382 -4.2085 -4.2085 -4.2077 -4.2077 -4.1570 -4.1570 -4.1561 -4.1561 -3.4901 -3.4901 -3.4893 -3.4893 -3.3989 -3.3989 -3.3981 -3.3981 4.8786 4.8786 4.8786 4.8786 5.7602 5.7602 5.7603 5.7603 k = 0.5000 0.2052-0.0000 ( 25408 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3547 -9.3547 -9.3547 -9.3547 -9.1862 -9.1862 -9.1862 -9.1862 -4.8616 -4.8616 -4.8616 -4.8616 -4.4479 -4.4479 -4.4478 -4.4478 -4.2070 -4.2070 -4.2062 -4.2062 -4.1566 -4.1566 -4.1557 -4.1557 -3.4707 -3.4707 -3.4699 -3.4699 -3.3928 -3.3928 -3.3919 -3.3919 4.8919 4.8919 4.8919 4.8919 5.7482 5.7482 5.7483 5.7483 k = 0.5000 0.2189-0.0000 ( 25400 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3524 -9.3524 -9.3524 -9.3524 -9.1879 -9.1879 -9.1879 -9.1879 -4.8723 -4.8723 -4.8723 -4.8723 -4.4578 -4.4578 -4.4578 -4.4578 -4.2045 -4.2045 -4.2037 -4.2037 -4.1563 -4.1563 -4.1555 -4.1555 -3.4531 -3.4531 -3.4523 -3.4523 -3.3868 -3.3868 -3.3859 -3.3859 4.9071 4.9071 4.9072 4.9072 5.7265 5.7265 5.7266 5.7266 k = 0.5000 0.2326-0.0000 ( 25394 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3502 -9.3502 -9.3502 -9.3502 -9.1895 -9.1895 -9.1895 -9.1895 -4.8819 -4.8819 -4.8818 -4.8818 -4.4675 -4.4675 -4.4675 -4.4675 -4.2013 -4.2013 -4.2005 -4.2005 -4.1564 -4.1564 -4.1555 -4.1555 -3.4377 -3.4377 -3.4368 -3.4368 -3.3808 -3.3808 -3.3799 -3.3799 4.9240 4.9240 4.9240 4.9240 5.6976 5.6976 5.6977 5.6977 k = 0.5000 0.2462-0.0000 ( 25402 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3482 -9.3482 -9.3482 -9.3482 -9.1910 -9.1910 -9.1910 -9.1910 -4.8902 -4.8902 -4.8902 -4.8902 -4.4766 -4.4766 -4.4766 -4.4766 -4.1976 -4.1976 -4.1968 -4.1968 -4.1569 -4.1569 -4.1560 -4.1560 -3.4243 -3.4243 -3.4235 -3.4235 -3.3751 -3.3751 -3.3742 -3.3742 4.9421 4.9421 4.9421 4.9421 5.6644 5.6644 5.6645 5.6645 k = 0.5000 0.2599-0.0000 ( 25378 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3464 -9.3464 -9.3464 -9.3464 -9.1924 -9.1924 -9.1924 -9.1924 -4.8974 -4.8974 -4.8974 -4.8974 -4.4847 -4.4847 -4.4847 -4.4847 -4.1936 -4.1936 -4.1928 -4.1928 -4.1578 -4.1578 -4.1570 -4.1570 -3.4132 -3.4132 -3.4124 -3.4124 -3.3698 -3.3698 -3.3689 -3.3689 4.9607 4.9607 4.9607 4.9607 5.6298 5.6298 5.6299 5.6299 k = 0.5000 0.2736-0.0000 ( 25374 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3449 -9.3449 -9.3449 -9.3449 -9.1935 -9.1935 -9.1935 -9.1935 -4.9033 -4.9033 -4.9032 -4.9032 -4.4917 -4.4917 -4.4917 -4.4917 -4.1895 -4.1895 -4.1888 -4.1888 -4.1592 -4.1592 -4.1584 -4.1584 -3.4042 -3.4042 -3.4035 -3.4035 -3.3649 -3.3649 -3.3641 -3.3641 4.9790 4.9790 4.9790 4.9790 5.5965 5.5965 5.5966 5.5966 k = 0.5000 0.2873-0.0000 ( 25370 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3436 -9.3436 -9.3436 -9.3436 -9.1945 -9.1945 -9.1945 -9.1945 -4.9079 -4.9079 -4.9079 -4.9079 -4.4973 -4.4973 -4.4972 -4.4972 -4.1855 -4.1855 -4.1848 -4.1848 -4.1610 -4.1610 -4.1602 -4.1602 -3.3974 -3.3974 -3.3969 -3.3969 -3.3607 -3.3607 -3.3601 -3.3601 4.9956 4.9956 4.9956 4.9956 5.5669 5.5669 5.5670 5.5670 k = 0.5000 0.3010-0.0000 ( 25370 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3427 -9.3427 -9.3427 -9.3427 -9.1952 -9.1952 -9.1952 -9.1952 -4.9112 -4.9112 -4.9112 -4.9112 -4.5013 -4.5013 -4.5013 -4.5013 -4.1819 -4.1819 -4.1812 -4.1812 -4.1630 -4.1630 -4.1623 -4.1623 -3.3927 -3.3927 -3.3923 -3.3923 -3.3575 -3.3575 -3.3571 -3.3571 5.0092 5.0092 5.0092 5.0092 5.5435 5.5435 5.5435 5.5435 k = 0.5000 0.3146-0.0000 ( 25352 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3422 -9.3422 -9.3422 -9.3422 -9.1956 -9.1956 -9.1956 -9.1956 -4.9131 -4.9131 -4.9131 -4.9131 -4.5038 -4.5038 -4.5038 -4.5038 -4.1789 -4.1789 -4.1785 -4.1785 -4.1647 -4.1647 -4.1643 -4.1643 -3.3899 -3.3899 -3.3897 -3.3897 -3.3554 -3.3554 -3.3552 -3.3552 5.0182 5.0182 5.0182 5.0182 5.5284 5.5284 5.5284 5.5284 k = 0.5000 0.3283-0.0000 ( 25352 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3420 -9.3420 -9.3420 -9.3420 -9.1958 -9.1958 -9.1958 -9.1958 -4.9138 -4.9138 -4.9138 -4.9138 -4.5046 -4.5046 -4.5046 -4.5046 -4.1776 -4.1776 -4.1776 -4.1776 -4.1653 -4.1653 -4.1653 -4.1653 -3.3889 -3.3889 -3.3889 -3.3889 -3.3546 -3.3546 -3.3546 -3.3546 5.0214 5.0214 5.0214 5.0214 5.5232 5.5232 5.5232 5.5232 k = 0.5000 0.3283-0.0000 ( 25352 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3420 -9.3420 -9.3420 -9.3420 -9.1958 -9.1958 -9.1958 -9.1958 -4.9138 -4.9138 -4.9138 -4.9138 -4.5046 -4.5046 -4.5046 -4.5046 -4.1776 -4.1776 -4.1776 -4.1776 -4.1653 -4.1653 -4.1653 -4.1653 -3.3889 -3.3889 -3.3889 -3.3889 -3.3546 -3.3546 -3.3546 -3.3546 5.0214 5.0214 5.0214 5.0214 5.5232 5.5232 5.5232 5.5232 k = 0.4861 0.3283-0.0000 ( 25362 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3439 -9.3439 -9.3439 -9.3439 -9.1944 -9.1944 -9.1944 -9.1944 -4.9127 -4.9127 -4.9127 -4.9127 -4.5045 -4.5045 -4.5044 -4.5044 -4.1926 -4.1926 -4.1922 -4.1922 -4.1497 -4.1497 -4.1494 -4.1494 -3.3920 -3.3920 -3.3918 -3.3918 -3.3517 -3.3517 -3.3514 -3.3514 5.0224 5.0224 5.0224 5.0224 5.5239 5.5239 5.5239 5.5239 k = 0.4722 0.3283-0.0000 ( 25364 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3494 -9.3494 -9.3494 -9.3494 -9.1907 -9.1907 -9.1907 -9.1907 -4.9095 -4.9095 -4.9095 -4.9095 -4.5041 -4.5041 -4.5039 -4.5039 -4.2110 -4.2110 -4.2105 -4.2105 -4.1287 -4.1287 -4.1284 -4.1284 -3.3992 -3.3992 -3.3988 -3.3988 -3.3445 -3.3445 -3.3442 -3.3442 5.0255 5.0255 5.0256 5.0256 5.5260 5.5260 5.5260 5.5260 k = 0.4583 0.3283-0.0000 ( 25368 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3580 -9.3580 -9.3580 -9.3580 -9.1851 -9.1851 -9.1851 -9.1851 -4.9042 -4.9042 -4.9041 -4.9041 -4.5038 -4.5038 -4.5035 -4.5035 -4.2275 -4.2275 -4.2271 -4.2271 -4.1072 -4.1072 -4.1069 -4.1069 -3.4080 -3.4080 -3.4076 -3.4076 -3.3357 -3.3357 -3.3353 -3.3353 5.0307 5.0307 5.0308 5.0308 5.5294 5.5294 5.5294 5.5294 k = 0.4444 0.3283-0.0000 ( 25380 PWs) bands (ev): -46.0646 -46.0646 -46.0646 -46.0646 -46.0642 -46.0642 -46.0642 -46.0642 -9.3690 -9.3690 -9.3690 -9.3690 -9.1782 -9.1782 -9.1782 -9.1782 -4.8967 -4.8967 -4.8966 -4.8966 -4.5042 -4.5042 -4.5039 -4.5039 -4.2413 -4.2413 -4.2408 -4.2408 -4.0857 -4.0857 -4.0855 -4.0855 -3.4173 -3.4173 -3.4169 -3.4169 -3.3263 -3.3263 -3.3258 -3.3258 5.0380 5.0380 5.0381 5.0381 5.5338 5.5338 5.5338 5.5338 k = 0.4306 0.3283-0.0000 ( 25376 PWs) bands (ev): -46.0646 -46.0646 -46.0646 -46.0646 -46.0642 -46.0642 -46.0642 -46.0642 -9.3818 -9.3818 -9.3818 -9.3818 -9.1706 -9.1706 -9.1706 -9.1706 -4.8870 -4.8870 -4.8869 -4.8869 -4.5062 -4.5062 -4.5058 -4.5058 -4.2514 -4.2514 -4.2508 -4.2508 -4.0646 -4.0646 -4.0643 -4.0643 -3.4268 -3.4268 -3.4263 -3.4263 -3.3168 -3.3168 -3.3163 -3.3163 5.0474 5.0474 5.0475 5.0475 5.5387 5.5387 5.5387 5.5387 k = 0.4167 0.3283-0.0000 ( 25370 PWs) bands (ev): -46.0646 -46.0646 -46.0646 -46.0646 -46.0642 -46.0642 -46.0642 -46.0642 -9.3960 -9.3960 -9.3960 -9.3960 -9.1627 -9.1627 -9.1627 -9.1627 -4.8751 -4.8751 -4.8750 -4.8750 -4.5105 -4.5105 -4.5100 -4.5100 -4.2568 -4.2568 -4.2562 -4.2562 -4.0438 -4.0438 -4.0436 -4.0436 -3.4362 -3.4362 -3.4357 -3.4357 -3.3074 -3.3074 -3.3069 -3.3069 5.0589 5.0589 5.0590 5.0590 5.5434 5.5434 5.5435 5.5435 k = 0.4028 0.3283-0.0000 ( 25368 PWs) bands (ev): -46.0646 -46.0646 -46.0646 -46.0646 -46.0641 -46.0641 -46.0641 -46.0641 -9.4111 -9.4111 -9.4111 -9.4111 -9.1548 -9.1548 -9.1548 -9.1548 -4.8612 -4.8612 -4.8610 -4.8610 -4.5177 -4.5177 -4.5172 -4.5172 -4.2570 -4.2570 -4.2564 -4.2564 -4.0236 -4.0236 -4.0234 -4.0234 -3.4454 -3.4454 -3.4449 -3.4449 -3.2983 -3.2983 -3.2978 -3.2978 5.0724 5.0724 5.0725 5.0725 5.5467 5.5467 5.5468 5.5468 k = 0.3889 0.3283-0.0000 ( 25374 PWs) bands (ev): -46.0646 -46.0646 -46.0646 -46.0646 -46.0641 -46.0641 -46.0641 -46.0641 -9.4271 -9.4271 -9.4271 -9.4271 -9.1471 -9.1471 -9.1471 -9.1471 -4.8451 -4.8451 -4.8449 -4.8449 -4.5280 -4.5280 -4.5275 -4.5275 -4.2518 -4.2518 -4.2512 -4.2512 -4.0041 -4.0041 -4.0039 -4.0039 -3.4543 -3.4543 -3.4538 -3.4538 -3.2896 -3.2896 -3.2891 -3.2891 5.0880 5.0880 5.0882 5.0882 5.5469 5.5469 5.5470 5.5470 k = 0.3750 0.3283-0.0000 ( 25370 PWs) bands (ev): -46.0646 -46.0646 -46.0646 -46.0646 -46.0641 -46.0641 -46.0641 -46.0641 -9.4435 -9.4435 -9.4435 -9.4435 -9.1399 -9.1399 -9.1399 -9.1399 -4.8269 -4.8269 -4.8268 -4.8268 -4.5410 -4.5410 -4.5405 -4.5405 -4.2415 -4.2415 -4.2409 -4.2409 -3.9853 -3.9853 -3.9851 -3.9851 -3.4629 -3.4629 -3.4623 -3.4623 -3.2815 -3.2815 -3.2810 -3.2810 5.1057 5.1057 5.1058 5.1058 5.5412 5.5412 5.5413 5.5413 k = 0.3611 0.3283-0.0000 ( 25388 PWs) bands (ev): -46.0647 -46.0647 -46.0647 -46.0647 -46.0641 -46.0641 -46.0641 -46.0641 -9.4602 -9.4602 -9.4602 -9.4602 -9.1331 -9.1331 -9.1331 -9.1331 -4.8068 -4.8068 -4.8067 -4.8067 -4.5562 -4.5562 -4.5557 -4.5557 -4.2268 -4.2268 -4.2262 -4.2262 -3.9674 -3.9674 -3.9672 -3.9672 -3.4710 -3.4710 -3.4705 -3.4705 -3.2740 -3.2740 -3.2735 -3.2735 5.1254 5.1254 5.1255 5.1255 5.5262 5.5262 5.5263 5.5263 k = 0.3472 0.3283-0.0000 ( 25402 PWs) bands (ev): -46.0647 -46.0647 -46.0647 -46.0647 -46.0641 -46.0641 -46.0641 -46.0641 -9.4772 -9.4772 -9.4772 -9.4772 -9.1268 -9.1268 -9.1268 -9.1268 -4.7850 -4.7850 -4.7848 -4.7848 -4.5728 -4.5728 -4.5723 -4.5723 -4.2083 -4.2083 -4.2078 -4.2078 -3.9504 -3.9504 -3.9501 -3.9501 -3.4788 -3.4788 -3.4782 -3.4782 -3.2673 -3.2673 -3.2668 -3.2668 5.1469 5.1469 5.1471 5.1471 5.4993 5.4993 5.4995 5.4995 k = 0.3333 0.3283-0.0000 ( 25390 PWs) bands (ev): -46.0647 -46.0647 -46.0647 -46.0647 -46.0641 -46.0641 -46.0641 -46.0641 -9.4942 -9.4942 -9.4942 -9.4942 -9.1212 -9.1212 -9.1212 -9.1212 -4.7619 -4.7619 -4.7616 -4.7616 -4.5898 -4.5898 -4.5893 -4.5893 -4.1868 -4.1868 -4.1864 -4.1864 -3.9342 -3.9342 -3.9340 -3.9340 -3.4860 -3.4860 -3.4854 -3.4854 -3.2616 -3.2616 -3.2611 -3.2611 5.1703 5.1703 5.1704 5.1704 5.4615 5.4615 5.4617 5.4617 k = 0.3194 0.3283-0.0000 ( 25398 PWs) bands (ev): -46.0647 -46.0647 -46.0647 -46.0647 -46.0640 -46.0640 -46.0640 -46.0640 -9.5112 -9.5112 -9.5112 -9.5112 -9.1161 -9.1161 -9.1161 -9.1161 -4.7384 -4.7384 -4.7381 -4.7381 -4.6059 -4.6059 -4.6053 -4.6053 -4.1629 -4.1629 -4.1625 -4.1625 -3.9190 -3.9190 -3.9187 -3.9187 -3.4927 -3.4927 -3.4922 -3.4922 -3.2568 -3.2568 -3.2563 -3.2563 5.1949 5.1949 5.1951 5.1951 5.4160 5.4160 5.4162 5.4162 k = 0.3056 0.3283-0.0000 ( 25412 PWs) bands (ev): -46.0648 -46.0648 -46.0648 -46.0648 -46.0640 -46.0640 -46.0640 -46.0640 -9.5280 -9.5280 -9.5280 -9.5280 -9.1116 -9.1116 -9.1116 -9.1116 -4.7170 -4.7170 -4.7166 -4.7166 -4.6182 -4.6182 -4.6176 -4.6176 -4.1372 -4.1372 -4.1369 -4.1369 -3.9046 -3.9046 -3.9044 -3.9044 -3.4989 -3.4989 -3.4983 -3.4983 -3.2532 -3.2532 -3.2527 -3.2527 5.2196 5.2196 5.2197 5.2197 5.3676 5.3676 5.3678 5.3678 k = 0.2917 0.3283-0.0000 ( 25424 PWs) bands (ev): -46.0648 -46.0648 -46.0648 -46.0648 -46.0640 -46.0640 -46.0640 -46.0640 -9.5447 -9.5447 -9.5447 -9.5447 -9.1077 -9.1077 -9.1077 -9.1077 -4.7038 -4.7038 -4.7034 -4.7034 -4.6204 -4.6204 -4.6199 -4.6199 -4.1103 -4.1103 -4.1100 -4.1100 -3.8911 -3.8911 -3.8908 -3.8908 -3.5045 -3.5045 -3.5039 -3.5039 -3.2508 -3.2508 -3.2504 -3.2504 5.2378 5.2378 5.2380 5.2380 5.3248 5.3248 5.3249 5.3249 k = 0.2778 0.3283-0.0000 ( 25444 PWs) bands (ev): -46.0648 -46.0648 -46.0648 -46.0648 -46.0640 -46.0640 -46.0640 -46.0640 -9.5610 -9.5610 -9.5610 -9.5610 -9.1044 -9.1044 -9.1044 -9.1044 -4.7049 -4.7049 -4.7047 -4.7047 -4.6062 -4.6062 -4.6058 -4.6058 -4.0826 -4.0826 -4.0823 -4.0823 -3.8784 -3.8784 -3.8781 -3.8781 -3.5094 -3.5094 -3.5089 -3.5089 -3.2498 -3.2498 -3.2493 -3.2493 5.2242 5.2242 5.2243 5.2243 5.3146 5.3146 5.3147 5.3147 k = 0.2639 0.3283-0.0000 ( 25452 PWs) bands (ev): -46.0648 -46.0648 -46.0648 -46.0648 -46.0640 -46.0640 -46.0640 -46.0640 -9.5769 -9.5769 -9.5769 -9.5769 -9.1016 -9.1016 -9.1016 -9.1016 -4.7163 -4.7163 -4.7162 -4.7162 -4.5796 -4.5796 -4.5794 -4.5794 -4.0546 -4.0546 -4.0543 -4.0543 -3.8663 -3.8663 -3.8660 -3.8660 -3.5138 -3.5138 -3.5132 -3.5132 -3.2502 -3.2502 -3.2498 -3.2498 5.1789 5.1789 5.1790 5.1790 5.3377 5.3377 5.3378 5.3378 k = 0.2500 0.3283-0.0000 ( 25454 PWs) bands (ev): -46.0649 -46.0649 -46.0649 -46.0649 -46.0640 -46.0640 -46.0640 -46.0640 -9.5924 -9.5924 -9.5924 -9.5924 -9.0993 -9.0993 -9.0993 -9.0993 -4.7317 -4.7317 -4.7317 -4.7317 -4.5470 -4.5470 -4.5468 -4.5468 -4.0268 -4.0268 -4.0265 -4.0265 -3.8547 -3.8547 -3.8544 -3.8544 -3.5174 -3.5174 -3.5168 -3.5168 -3.2522 -3.2522 -3.2517 -3.2517 5.1262 5.1262 5.1264 5.1264 5.3703 5.3703 5.3705 5.3705 k = 0.2361 0.3283-0.0000 ( 25454 PWs) bands (ev): -46.0649 -46.0649 -46.0649 -46.0649 -46.0639 -46.0639 -46.0639 -46.0639 -9.6074 -9.6074 -9.6074 -9.6074 -9.0975 -9.0975 -9.0975 -9.0975 -4.7485 -4.7485 -4.7485 -4.7485 -4.5110 -4.5110 -4.5109 -4.5109 -3.9998 -3.9998 -3.9995 -3.9995 -3.8435 -3.8435 -3.8431 -3.8431 -3.5204 -3.5204 -3.5198 -3.5198 -3.2557 -3.2557 -3.2553 -3.2553 5.0725 5.0725 5.0727 5.0727 5.4067 5.4067 5.4069 5.4069 k = 0.2222 0.3283-0.0000 ( 25458 PWs) bands (ev): -46.0649 -46.0649 -46.0649 -46.0649 -46.0639 -46.0639 -46.0639 -46.0639 -9.6218 -9.6218 -9.6218 -9.6218 -9.0961 -9.0961 -9.0961 -9.0961 -4.7654 -4.7654 -4.7654 -4.7654 -4.4727 -4.4727 -4.4726 -4.4726 -3.9741 -3.9741 -3.9738 -3.9738 -3.8322 -3.8322 -3.8318 -3.8318 -3.5227 -3.5227 -3.5221 -3.5221 -3.2609 -3.2609 -3.2604 -3.2604 5.0194 5.0194 5.0196 5.0196 5.4453 5.4453 5.4455 5.4455 k = 0.2083 0.3283-0.0000 ( 25478 PWs) bands (ev): -46.0649 -46.0649 -46.0649 -46.0649 -46.0639 -46.0639 -46.0639 -46.0639 -9.6357 -9.6357 -9.6357 -9.6357 -9.0951 -9.0951 -9.0951 -9.0951 -4.7821 -4.7821 -4.7821 -4.7821 -4.4327 -4.4327 -4.4327 -4.4327 -3.9504 -3.9504 -3.9501 -3.9501 -3.8205 -3.8205 -3.8201 -3.8201 -3.5243 -3.5243 -3.5237 -3.5237 -3.2678 -3.2678 -3.2673 -3.2673 4.9675 4.9675 4.9677 4.9677 5.4851 5.4851 5.4853 5.4853 k = 0.1944 0.3283-0.0000 ( 25476 PWs) bands (ev): -46.0649 -46.0649 -46.0649 -46.0649 -46.0639 -46.0639 -46.0639 -46.0639 -9.6488 -9.6488 -9.6488 -9.6488 -9.0944 -9.0944 -9.0944 -9.0944 -4.7982 -4.7982 -4.7982 -4.7982 -4.3914 -4.3914 -4.3914 -4.3914 -3.9294 -3.9294 -3.9290 -3.9290 -3.8083 -3.8083 -3.8079 -3.8079 -3.5252 -3.5252 -3.5246 -3.5246 -3.2763 -3.2763 -3.2759 -3.2759 4.9175 4.9175 4.9176 4.9176 5.5230 5.5230 5.5232 5.5232 k = 0.1806 0.3283-0.0000 ( 25472 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.6612 -9.6612 -9.6612 -9.6612 -9.0940 -9.0940 -9.0940 -9.0940 -4.8136 -4.8136 -4.8135 -4.8135 -4.3491 -4.3491 -4.3491 -4.3491 -3.9114 -3.9114 -3.9110 -3.9110 -3.7952 -3.7952 -3.7948 -3.7948 -3.5253 -3.5253 -3.5247 -3.5247 -3.2865 -3.2865 -3.2861 -3.2861 4.8695 4.8695 4.8697 4.8697 5.5344 5.5344 5.5344 5.5344 k = 0.1667 0.3283-0.0000 ( 25464 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.6729 -9.6729 -9.6729 -9.6729 -9.0938 -9.0938 -9.0938 -9.0938 -4.8281 -4.8281 -4.8280 -4.8280 -4.3060 -4.3060 -4.3060 -4.3060 -3.8966 -3.8966 -3.8962 -3.8962 -3.7815 -3.7815 -3.7811 -3.7811 -3.5247 -3.5247 -3.5241 -3.5241 -3.2982 -3.2982 -3.2978 -3.2978 4.8240 4.8240 4.8241 4.8241 5.5133 5.5133 5.5133 5.5133 k = 0.1528 0.3283-0.0000 ( 25466 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.6838 -9.6838 -9.6838 -9.6838 -9.0939 -9.0939 -9.0939 -9.0939 -4.8416 -4.8416 -4.8416 -4.8416 -4.2623 -4.2623 -4.2623 -4.2623 -3.8848 -3.8848 -3.8845 -3.8845 -3.7677 -3.7677 -3.7673 -3.7673 -3.5233 -3.5233 -3.5228 -3.5228 -3.3114 -3.3114 -3.3110 -3.3110 4.7811 4.7811 4.7813 4.7813 5.4869 5.4869 5.4869 5.4869 k = 0.1389 0.3283-0.0000 ( 25470 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.6938 -9.6938 -9.6938 -9.6938 -9.0940 -9.0940 -9.0940 -9.0940 -4.8542 -4.8542 -4.8542 -4.8542 -4.2184 -4.2184 -4.2183 -4.2183 -3.8757 -3.8757 -3.8754 -3.8754 -3.7546 -3.7546 -3.7543 -3.7543 -3.5211 -3.5211 -3.5206 -3.5206 -3.3259 -3.3259 -3.3255 -3.3255 4.7412 4.7412 4.7414 4.7414 5.4593 5.4593 5.4593 5.4593 k = 0.1250 0.3283-0.0000 ( 25468 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.7030 -9.7030 -9.7030 -9.7030 -9.0943 -9.0943 -9.0943 -9.0943 -4.8657 -4.8657 -4.8657 -4.8657 -4.1744 -4.1744 -4.1743 -4.1743 -3.8687 -3.8687 -3.8684 -3.8684 -3.7431 -3.7431 -3.7428 -3.7428 -3.5181 -3.5181 -3.5177 -3.5177 -3.3413 -3.3413 -3.3410 -3.3410 4.7045 4.7045 4.7046 4.7046 5.4316 5.4316 5.4316 5.4316 k = 0.1111 0.3283-0.0000 ( 25468 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.7113 -9.7113 -9.7113 -9.7113 -9.0947 -9.0947 -9.0947 -9.0947 -4.8761 -4.8761 -4.8761 -4.8761 -4.1307 -4.1307 -4.1306 -4.1306 -3.8632 -3.8632 -3.8629 -3.8629 -3.7340 -3.7340 -3.7338 -3.7338 -3.5144 -3.5144 -3.5141 -3.5141 -3.3575 -3.3575 -3.3572 -3.3572 4.6710 4.6710 4.6712 4.6712 5.4044 5.4044 5.4044 5.4044 k = 0.0972 0.3283-0.0000 ( 25484 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.7187 -9.7187 -9.7187 -9.7187 -9.0951 -9.0951 -9.0951 -9.0951 -4.8853 -4.8853 -4.8853 -4.8853 -4.0875 -4.0875 -4.0875 -4.0875 -3.8590 -3.8590 -3.8587 -3.8587 -3.7282 -3.7282 -3.7280 -3.7280 -3.5100 -3.5100 -3.5098 -3.5098 -3.3738 -3.3738 -3.3736 -3.3736 4.6411 4.6411 4.6412 4.6412 5.3785 5.3785 5.3786 5.3786 k = 0.0833 0.3283-0.0000 ( 25484 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7251 -9.7251 -9.7251 -9.7251 -9.0956 -9.0956 -9.0956 -9.0956 -4.8934 -4.8934 -4.8934 -4.8934 -4.0453 -4.0453 -4.0452 -4.0452 -3.8556 -3.8556 -3.8553 -3.8553 -3.7261 -3.7261 -3.7260 -3.7260 -3.5052 -3.5052 -3.5051 -3.5051 -3.3899 -3.3899 -3.3897 -3.3897 4.6149 4.6149 4.6150 4.6150 5.3546 5.3546 5.3546 5.3546 k = 0.0694 0.3283-0.0000 ( 25504 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7306 -9.7306 -9.7306 -9.7306 -9.0960 -9.0960 -9.0960 -9.0960 -4.9003 -4.9003 -4.9003 -4.9003 -4.0046 -4.0046 -4.0045 -4.0045 -3.8527 -3.8527 -3.8524 -3.8524 -3.7284 -3.7284 -3.7284 -3.7284 -3.5002 -3.5002 -3.5001 -3.5001 -3.4050 -3.4050 -3.4049 -3.4049 4.5925 4.5925 4.5926 4.5926 5.3332 5.3332 5.3332 5.3332 k = 0.0556 0.3283-0.0000 ( 25508 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7351 -9.7351 -9.7351 -9.7351 -9.0963 -9.0963 -9.0963 -9.0963 -4.9059 -4.9059 -4.9059 -4.9059 -3.9660 -3.9660 -3.9658 -3.9658 -3.8499 -3.8499 -3.8495 -3.8495 -3.7354 -3.7354 -3.7354 -3.7354 -3.4953 -3.4953 -3.4951 -3.4951 -3.4187 -3.4187 -3.4187 -3.4187 4.5740 4.5740 4.5740 4.5740 5.3149 5.3149 5.3150 5.3150 k = 0.0417 0.3283-0.0000 ( 25522 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7386 -9.7386 -9.7386 -9.7386 -9.0966 -9.0966 -9.0966 -9.0966 -4.9103 -4.9103 -4.9103 -4.9103 -3.9307 -3.9307 -3.9304 -3.9304 -3.8463 -3.8463 -3.8459 -3.8459 -3.7470 -3.7470 -3.7470 -3.7470 -3.4906 -3.4906 -3.4904 -3.4904 -3.4304 -3.4304 -3.4303 -3.4303 4.5595 4.5595 4.5595 4.5595 5.3002 5.3002 5.3002 5.3002 k = 0.0278 0.3283-0.0000 ( 25512 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7411 -9.7411 -9.7411 -9.7411 -9.0969 -9.0969 -9.0969 -9.0969 -4.9135 -4.9135 -4.9135 -4.9135 -3.9014 -3.9014 -3.9011 -3.9011 -3.8399 -3.8399 -3.8394 -3.8394 -3.7631 -3.7631 -3.7631 -3.7631 -3.4866 -3.4866 -3.4864 -3.4864 -3.4395 -3.4395 -3.4394 -3.4394 4.5491 4.5491 4.5491 4.5491 5.2894 5.2894 5.2894 5.2894 k = 0.0139 0.3283-0.0000 ( 25496 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7427 -9.7427 -9.7427 -9.7427 -9.0970 -9.0970 -9.0970 -9.0970 -4.9154 -4.9154 -4.9154 -4.9154 -3.8828 -3.8828 -3.8825 -3.8825 -3.8270 -3.8270 -3.8266 -3.8266 -3.7828 -3.7828 -3.7826 -3.7826 -3.4837 -3.4837 -3.4836 -3.4836 -3.4454 -3.4454 -3.4453 -3.4453 4.5428 4.5428 4.5428 4.5428 5.2829 5.2829 5.2829 5.2829 k = 0.0000 0.3283-0.0000 ( 25490 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7432 -9.7432 -9.7432 -9.7432 -9.0971 -9.0971 -9.0971 -9.0971 -4.9160 -4.9160 -4.9160 -4.9160 -3.8770 -3.8770 -3.8770 -3.8770 -3.8116 -3.8116 -3.8116 -3.8116 -3.7996 -3.7996 -3.7996 -3.7996 -3.4826 -3.4826 -3.4826 -3.4826 -3.4475 -3.4475 -3.4475 -3.4475 4.5407 4.5407 4.5407 4.5407 5.2806 5.2806 5.2806 5.2806 k = 0.0000 0.3283-0.0000 ( 25490 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7432 -9.7432 -9.7432 -9.7432 -9.0971 -9.0971 -9.0971 -9.0971 -4.9160 -4.9160 -4.9160 -4.9160 -3.8770 -3.8770 -3.8770 -3.8770 -3.8116 -3.8116 -3.8116 -3.8116 -3.7996 -3.7996 -3.7996 -3.7996 -3.4826 -3.4826 -3.4826 -3.4826 -3.4475 -3.4475 -3.4475 -3.4475 4.5407 4.5407 4.5407 4.5407 5.2806 5.2806 5.2806 5.2806 k = 0.0000 0.3146-0.0000 ( 25474 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7625 -9.7625 -9.7235 -9.7235 -9.1071 -9.1071 -9.0870 -9.0870 -4.9374 -4.9374 -4.8932 -4.8932 -3.9114 -3.9114 -3.8464 -3.8464 -3.8287 -3.8287 -3.8247 -3.8247 -3.7943 -3.7943 -3.7722 -3.7722 -3.4949 -3.4949 -3.4702 -3.4702 -3.4479 -3.4479 -3.4472 -3.4472 4.5297 4.5297 4.5513 4.5513 5.2216 5.2216 5.3340 5.3340 k = 0.0000 0.3010-0.0000 ( 25476 PWs) bands (ev): -46.0651 -46.0651 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.7815 -9.7815 -9.7037 -9.7037 -9.1172 -9.1172 -9.0771 -9.0771 -4.9574 -4.9574 -4.8691 -4.8691 -3.9488 -3.9488 -3.8483 -3.8483 -3.8454 -3.8454 -3.8203 -3.8203 -3.7770 -3.7770 -3.7422 -3.7422 -3.5072 -3.5072 -3.4579 -3.4579 -3.4486 -3.4486 -3.4471 -3.4471 4.5183 4.5183 4.5614 4.5614 5.1595 5.1595 5.3777 5.3777 k = 0.0000 0.2873-0.0000 ( 25484 PWs) bands (ev): -46.0651 -46.0651 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.8001 -9.8001 -9.6837 -9.6837 -9.1272 -9.1272 -9.0673 -9.0673 -4.9759 -4.9759 -4.8438 -4.8438 -3.9880 -3.9880 -3.8706 -3.8706 -3.8620 -3.8620 -3.7985 -3.7985 -3.7596 -3.7596 -3.7103 -3.7103 -3.5193 -3.5193 -3.4498 -3.4498 -3.4468 -3.4468 -3.4455 -3.4455 4.5063 4.5063 4.5713 4.5713 5.0963 5.0963 5.4075 5.4075 k = 0.0000 0.2736-0.0000 ( 25466 PWs) bands (ev): -46.0651 -46.0651 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.8182 -9.8182 -9.6637 -9.6637 -9.1371 -9.1371 -9.0578 -9.0578 -4.9928 -4.9928 -4.8173 -4.8173 -4.0286 -4.0286 -3.8921 -3.8921 -3.8782 -3.8782 -3.7804 -3.7804 -3.7423 -3.7423 -3.6774 -3.6774 -3.5313 -3.5313 -3.4511 -3.4511 -3.4463 -3.4463 -3.4335 -3.4335 4.4940 4.4940 4.5808 4.5808 5.0333 5.0333 5.4210 5.4210 k = 0.0000 0.2599-0.0000 ( 25447 PWs) bands (ev): -46.0652 -46.0652 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.8357 -9.8357 -9.6437 -9.6437 -9.1469 -9.1469 -9.0485 -9.0485 -5.0081 -5.0081 -4.7898 -4.7898 -4.0699 -4.0699 -3.9131 -3.9131 -3.8940 -3.8940 -3.7656 -3.7656 -3.7251 -3.7251 -3.6445 -3.6445 -3.5430 -3.5430 -3.4528 -3.4528 -3.4452 -3.4452 -3.4215 -3.4215 4.4812 4.4812 4.5903 4.5903 4.9713 4.9713 5.4192 5.4192 k = 0.0000 0.2462-0.0000 ( 25439 PWs) bands (ev): -46.0652 -46.0652 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.8527 -9.8527 -9.6239 -9.6239 -9.1565 -9.1565 -9.0395 -9.0395 -5.0219 -5.0219 -4.7613 -4.7613 -4.1116 -4.1116 -3.9335 -3.9335 -3.9093 -3.9093 -3.7541 -3.7541 -3.7082 -3.7082 -3.6121 -3.6121 -3.5544 -3.5544 -3.4549 -3.4549 -3.4434 -3.4434 -3.4099 -3.4099 4.4682 4.4682 4.5997 4.5997 4.9108 4.9108 5.4059 5.4059 k = 0.0000 0.2326-0.0000 ( 25437 PWs) bands (ev): -46.0652 -46.0652 -46.0649 -46.0649 -46.0638 -46.0638 -46.0638 -46.0638 -9.8690 -9.8690 -9.6042 -9.6042 -9.1658 -9.1658 -9.0308 -9.0308 -5.0339 -5.0339 -4.7320 -4.7320 -4.1534 -4.1534 -3.9533 -3.9533 -3.9241 -3.9241 -3.7457 -3.7457 -3.6915 -3.6915 -3.5807 -3.5807 -3.5655 -3.5655 -3.4573 -3.4573 -3.4406 -3.4406 -3.3985 -3.3985 4.4550 4.4550 4.6092 4.6092 4.8525 4.8525 5.3851 5.3851 k = 0.0000 0.2189-0.0000 ( 25433 PWs) bands (ev): -46.0652 -46.0652 -46.0649 -46.0649 -46.0638 -46.0638 -46.0638 -46.0638 -9.8847 -9.8847 -9.5849 -9.5849 -9.1748 -9.1748 -9.0225 -9.0225 -5.0443 -5.0443 -4.7019 -4.7019 -4.1951 -4.1951 -3.9726 -3.9726 -3.9383 -3.9383 -3.7406 -3.7406 -3.6752 -3.6752 -3.5762 -3.5762 -3.5505 -3.5505 -3.4599 -3.4599 -3.4367 -3.4367 -3.3875 -3.3875 4.4417 4.4417 4.6189 4.6189 4.7965 4.7965 5.3599 5.3599 k = 0.0000 0.2052-0.0000 ( 25421 PWs) bands (ev): -46.0652 -46.0652 -46.0649 -46.0649 -46.0638 -46.0638 -46.0638 -46.0638 -9.8996 -9.8996 -9.5659 -9.5659 -9.1835 -9.1835 -9.0147 -9.0147 -5.0530 -5.0530 -4.6711 -4.6711 -4.2365 -4.2365 -3.9911 -3.9911 -3.9519 -3.9519 -3.7387 -3.7387 -3.6593 -3.6593 -3.5864 -3.5864 -3.5218 -3.5218 -3.4628 -3.4628 -3.4315 -3.4315 -3.3770 -3.3770 4.4284 4.4284 4.6289 4.6289 4.7432 4.7432 5.3321 5.3321 k = 0.0000 0.1915-0.0000 ( 25431 PWs) bands (ev): -46.0652 -46.0652 -46.0649 -46.0649 -46.0638 -46.0638 -46.0638 -46.0638 -9.9137 -9.9137 -9.5475 -9.5475 -9.1919 -9.1919 -9.0073 -9.0073 -5.0600 -5.0600 -4.6399 -4.6399 -4.2772 -4.2772 -4.0090 -4.0090 -3.9648 -3.9648 -3.7401 -3.7401 -3.6439 -3.6439 -3.5963 -3.5963 -3.4947 -3.4947 -3.4658 -3.4658 -3.4250 -3.4250 -3.3668 -3.3668 4.4152 4.4152 4.6393 4.6393 4.6927 4.6927 5.3032 5.3032 k = 0.0000 0.1778-0.0000 ( 25427 PWs) bands (ev): -46.0652 -46.0652 -46.0649 -46.0649 -46.0638 -46.0638 -46.0638 -46.0638 -9.9270 -9.9270 -9.5296 -9.5296 -9.1998 -9.1998 -9.0004 -9.0004 -5.0654 -5.0654 -4.6084 -4.6084 -4.3172 -4.3172 -4.0260 -4.0260 -3.9770 -3.9770 -3.7446 -3.7446 -3.6292 -3.6292 -3.6056 -3.6056 -3.4693 -3.4693 -3.4689 -3.4689 -3.4174 -3.4174 -3.3572 -3.3572 4.4023 4.4023 4.6453 4.6453 4.6501 4.6501 5.2738 5.2738 k = 0.0000 0.1642-0.0000 ( 25439 PWs) bands (ev): -46.0653 -46.0653 -46.0649 -46.0649 -46.0638 -46.0638 -46.0638 -46.0638 -9.9395 -9.9395 -9.5125 -9.5125 -9.2072 -9.2072 -8.9940 -8.9940 -5.0692 -5.0692 -4.5766 -4.5766 -4.3561 -4.3561 -4.0422 -4.0422 -3.9885 -3.9885 -3.7520 -3.7520 -3.6151 -3.6151 -3.6143 -3.6143 -3.4721 -3.4721 -3.4457 -3.4457 -3.4089 -3.4089 -3.3482 -3.3482 4.3898 4.3898 4.6011 4.6011 4.6614 4.6614 5.2444 5.2444 k = 0.0000 0.1505-0.0000 ( 25471 PWs) bands (ev): -46.0653 -46.0653 -46.0649 -46.0649 -46.0638 -46.0638 -46.0638 -46.0638 -9.9511 -9.9511 -9.4962 -9.4962 -9.2142 -9.2142 -8.9881 -8.9881 -5.0714 -5.0714 -4.5449 -4.5449 -4.3939 -4.3939 -4.0573 -4.0573 -3.9991 -3.9991 -3.7618 -3.7618 -3.6225 -3.6225 -3.6018 -3.6018 -3.4753 -3.4753 -3.4241 -3.4241 -3.3997 -3.3997 -3.3397 -3.3397 4.3779 4.3779 4.5602 4.5602 4.6733 4.6733 5.2156 5.2156 k = 0.0000 0.1368-0.0000 ( 25475 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -9.9617 -9.9617 -9.4809 -9.4809 -9.2207 -9.2207 -8.9828 -8.9828 -5.0721 -5.0721 -4.5133 -4.5133 -4.4301 -4.4301 -4.0715 -4.0715 -4.0090 -4.0090 -3.7739 -3.7739 -3.6301 -3.6301 -3.5894 -3.5894 -3.4784 -3.4784 -3.4047 -3.4047 -3.3899 -3.3899 -3.3318 -3.3318 4.3665 4.3665 4.5227 4.5227 4.6856 4.6856 5.1874 5.1874 k = 0.0000 0.1231-0.0000 ( 25473 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -9.9715 -9.9715 -9.4666 -9.4666 -9.2267 -9.2267 -8.9780 -8.9780 -5.0716 -5.0716 -4.4823 -4.4823 -4.4645 -4.4645 -4.0845 -4.0845 -4.0180 -4.0180 -3.7877 -3.7877 -3.6371 -3.6371 -3.5779 -3.5779 -3.4815 -3.4815 -3.3880 -3.3880 -3.3793 -3.3793 -3.3246 -3.3246 4.3558 4.3558 4.4887 4.4887 4.6984 4.6984 5.1601 5.1601 k = 0.0000 0.1094-0.0000 ( 25481 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -9.9803 -9.9803 -9.4534 -9.4534 -9.2321 -9.2321 -8.9737 -8.9737 -5.0698 -5.0698 -4.4970 -4.4970 -4.4520 -4.4520 -4.0964 -4.0964 -4.0261 -4.0261 -3.8028 -3.8028 -3.6434 -3.6434 -3.5673 -3.5673 -3.4843 -3.4843 -3.3753 -3.3753 -3.3668 -3.3668 -3.3181 -3.3181 4.3459 4.3459 4.4582 4.4582 4.7117 4.7117 5.1338 5.1338 k = 0.0000 0.0958-0.0000 ( 25475 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -9.9881 -9.9881 -9.4415 -9.4415 -9.2369 -9.2369 -8.9701 -8.9701 -5.0671 -5.0671 -4.5271 -4.5271 -4.4228 -4.4228 -4.1070 -4.1070 -4.0334 -4.0334 -3.8188 -3.8188 -3.6490 -3.6490 -3.5579 -3.5579 -3.4869 -3.4869 -3.3655 -3.3655 -3.3538 -3.3538 -3.3124 -3.3124 4.3369 4.3369 4.4313 4.4313 4.7251 4.7251 5.1088 5.1088 k = 0.0000 0.0821-0.0000 ( 25471 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -9.9948 -9.9948 -9.4310 -9.4310 -9.2411 -9.2411 -8.9669 -8.9669 -5.0636 -5.0636 -4.5545 -4.5545 -4.3952 -4.3952 -4.1163 -4.1163 -4.0397 -4.0397 -3.8352 -3.8352 -3.6539 -3.6539 -3.5495 -3.5495 -3.4893 -3.4893 -3.3572 -3.3572 -3.3421 -3.3421 -3.3073 -3.3073 4.3288 4.3288 4.4080 4.4080 4.7386 4.7386 5.0854 5.0854 k = 0.0000 0.0684-0.0000 ( 25457 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -10.0006 -10.0006 -9.4219 -9.4219 -9.2447 -9.2447 -8.9643 -8.9643 -5.0597 -5.0597 -4.5788 -4.5788 -4.3697 -4.3697 -4.1243 -4.1243 -4.0450 -4.0450 -3.8512 -3.8512 -3.6580 -3.6580 -3.5423 -3.5423 -3.4914 -3.4914 -3.3500 -3.3500 -3.3320 -3.3320 -3.3030 -3.3030 4.3217 4.3217 4.3884 4.3884 4.7518 4.7518 5.0637 5.0637 k = 0.0000 0.0547-0.0000 ( 25465 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -10.0054 -10.0054 -9.4143 -9.4143 -9.2477 -9.2477 -8.9621 -8.9621 -5.0557 -5.0557 -4.5995 -4.5995 -4.3471 -4.3471 -4.1309 -4.1309 -4.0495 -4.0495 -3.8662 -3.8662 -3.6615 -3.6615 -3.5364 -3.5364 -3.4931 -3.4931 -3.3439 -3.3439 -3.3238 -3.3238 -3.2995 -3.2995 4.3157 4.3157 4.3725 4.3725 4.7644 4.7644 5.0443 5.0443 k = 0.0000 0.0410-0.0000 ( 25461 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -10.0091 -10.0091 -9.4083 -9.4083 -9.2500 -9.2500 -8.9605 -8.9605 -5.0520 -5.0520 -4.6163 -4.6163 -4.3280 -4.3280 -4.1361 -4.1361 -4.0529 -4.0529 -3.8793 -3.8793 -3.6642 -3.6642 -3.5317 -3.5317 -3.4945 -3.4945 -3.3390 -3.3390 -3.3174 -3.3174 -3.2967 -3.2967 4.3108 4.3108 4.3603 4.3603 4.7755 4.7755 5.0278 5.0278 k = 0.0000 0.0274-0.0000 ( 25473 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -10.0117 -10.0117 -9.4040 -9.4040 -9.2517 -9.2517 -8.9593 -8.9593 -5.0490 -5.0490 -4.6287 -4.6287 -4.3135 -4.3135 -4.1398 -4.1398 -4.0554 -4.0554 -3.8897 -3.8897 -3.6661 -3.6661 -3.5284 -3.5284 -3.4955 -3.4955 -3.3355 -3.3355 -3.3129 -3.3129 -3.2947 -3.2947 4.3072 4.3072 4.3517 4.3517 4.7846 4.7846 5.0150 5.0150 k = 0.0000 0.0137-0.0000 ( 25461 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -10.0133 -10.0133 -9.4014 -9.4014 -9.2527 -9.2527 -8.9586 -8.9586 -5.0471 -5.0471 -4.6364 -4.6364 -4.3043 -4.3043 -4.1420 -4.1420 -4.0569 -4.0569 -3.8963 -3.8963 -3.6672 -3.6672 -3.5263 -3.5263 -3.4961 -3.4961 -3.3333 -3.3333 -3.3102 -3.3102 -3.2935 -3.2935 4.3050 4.3050 4.3466 4.3466 4.7905 4.7905 5.0067 5.0067 k = 0.0000 0.0000 0.0000 ( 25453 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -10.0138 -10.0138 -9.4005 -9.4005 -9.2530 -9.2530 -8.9584 -8.9584 -5.0464 -5.0464 -4.6389 -4.6389 -4.3012 -4.3012 -4.1427 -4.1427 -4.0574 -4.0574 -3.8986 -3.8986 -3.6676 -3.6676 -3.5257 -3.5257 -3.4963 -3.4963 -3.3326 -3.3326 -3.3093 -3.3093 -3.2931 -3.2931 4.3042 4.3042 4.3449 4.3449 4.7926 4.7926 5.0039 5.0039 k = 0.0000 0.0000 0.0000 ( 25453 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -10.0138 -10.0138 -9.4005 -9.4005 -9.2530 -9.2530 -8.9584 -8.9584 -5.0464 -5.0464 -4.6389 -4.6389 -4.3012 -4.3012 -4.1427 -4.1427 -4.0574 -4.0574 -3.8986 -3.8986 -3.6676 -3.6676 -3.5257 -3.5257 -3.4963 -3.4963 -3.3326 -3.3326 -3.3093 -3.3093 -3.2931 -3.2931 4.3042 4.3042 4.3449 4.3449 4.7926 4.7926 5.0039 5.0039 k = 0.0000 0.0000 0.0141 ( 25461 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -10.0133 -10.0133 -9.4023 -9.4023 -9.2518 -9.2518 -8.9587 -8.9587 -5.0447 -5.0447 -4.6397 -4.6397 -4.2995 -4.2995 -4.1466 -4.1466 -4.0569 -4.0569 -3.8948 -3.8948 -3.6683 -3.6683 -3.5252 -3.5252 -3.4983 -3.4983 -3.3334 -3.3334 -3.3091 -3.3091 -3.2934 -3.2934 4.3055 4.3055 4.3456 4.3456 4.7929 4.7929 5.0046 5.0046 k = 0.0000 0.0000 0.0282 ( 25453 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -10.0115 -10.0115 -9.4074 -9.4074 -9.2483 -9.2483 -8.9595 -8.9595 -5.0396 -5.0396 -4.6418 -4.6418 -4.2945 -4.2945 -4.1574 -4.1574 -4.0557 -4.0557 -3.8839 -3.8839 -3.6705 -3.6705 -3.5238 -3.5238 -3.5043 -3.5043 -3.3357 -3.3357 -3.3086 -3.3086 -3.2942 -3.2942 4.3095 4.3095 4.3477 4.3477 4.7936 4.7936 5.0067 5.0067 k = 0.0000 0.0000 0.0423 ( 25459 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -10.0087 -10.0087 -9.4155 -9.4155 -9.2430 -9.2430 -8.9609 -8.9609 -5.0312 -5.0312 -4.6451 -4.6451 -4.2864 -4.2864 -4.1735 -4.1735 -4.0535 -4.0535 -3.8675 -3.8675 -3.6740 -3.6740 -3.5216 -3.5216 -3.5139 -3.5139 -3.3396 -3.3396 -3.3079 -3.3079 -3.2956 -3.2956 4.3161 4.3161 4.3513 4.3513 4.7947 4.7947 5.0103 5.0103 k = 0.0000 0.0000 0.0564 ( 25457 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -10.0047 -10.0047 -9.4260 -9.4260 -9.2363 -9.2363 -8.9629 -8.9629 -5.0196 -5.0196 -4.6493 -4.6493 -4.2755 -4.2755 -4.1933 -4.1933 -4.0506 -4.0506 -3.8474 -3.8474 -3.6787 -3.6787 -3.5270 -3.5270 -3.5185 -3.5185 -3.3451 -3.3451 -3.3073 -3.3073 -3.2975 -3.2975 4.3255 4.3255 4.3563 4.3563 4.7960 4.7960 5.0155 5.0155 k = 0.0000 0.0000 0.0705 ( 25455 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -9.9996 -9.9996 -9.4386 -9.4386 -9.2285 -9.2285 -8.9653 -8.9653 -5.0047 -5.0047 -4.6541 -4.6541 -4.2625 -4.2625 -4.2154 -4.2154 -4.0468 -4.0468 -3.8250 -3.8250 -3.6847 -3.6847 -3.5431 -3.5431 -3.5148 -3.5148 -3.3520 -3.3520 -3.3070 -3.3070 -3.2999 -3.2999 4.3375 4.3375 4.3627 4.3627 4.7974 4.7974 5.0221 5.0221 k = 0.0000 0.0000 0.0846 ( 25455 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -9.9933 -9.9933 -9.4528 -9.4528 -9.2201 -9.2201 -8.9683 -8.9683 -4.9869 -4.9869 -4.6592 -4.6592 -4.2476 -4.2476 -4.2389 -4.2389 -4.0421 -4.0421 -3.8010 -3.8010 -3.6917 -3.6917 -3.5619 -3.5619 -3.5104 -3.5104 -3.3604 -3.3604 -3.3071 -3.3071 -3.3028 -3.3028 4.3523 4.3523 4.3706 4.3706 4.7987 4.7987 5.0303 5.0303 k = 0.0000 0.0000 0.0987 ( 25455 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -9.9860 -9.9860 -9.4683 -9.4683 -9.2113 -9.2113 -8.9719 -8.9719 -4.9661 -4.9661 -4.6643 -4.6643 -4.2630 -4.2630 -4.2315 -4.2315 -4.0367 -4.0367 -3.7763 -3.7763 -3.6996 -3.6996 -3.5829 -3.5829 -3.5056 -3.5056 -3.3702 -3.3702 -3.3078 -3.3078 -3.3062 -3.3062 4.3698 4.3698 4.3799 4.3799 4.7996 4.7996 5.0402 5.0402 k = 0.0000 0.0000 0.1128 ( 25461 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -9.9776 -9.9776 -9.4850 -9.4850 -9.2022 -9.2022 -8.9759 -8.9759 -4.9426 -4.9426 -4.6690 -4.6690 -4.2872 -4.2872 -4.2147 -4.2147 -4.0305 -4.0305 -3.7513 -3.7513 -3.7084 -3.7084 -3.6056 -3.6056 -3.5003 -3.5003 -3.3813 -3.3813 -3.3101 -3.3101 -3.3091 -3.3091 4.3902 4.3902 4.3906 4.3906 4.7999 4.7999 5.0517 5.0517 k = 0.0000 0.0000 0.1269 ( 25470 PWs) bands (ev): -46.0653 -46.0653 -46.0648 -46.0648 -46.0639 -46.0639 -46.0638 -46.0638 -9.9682 -9.9682 -9.5025 -9.5025 -9.1929 -9.1929 -8.9804 -8.9804 -4.9165 -4.9165 -4.6732 -4.6732 -4.3112 -4.3112 -4.1980 -4.1980 -4.0236 -4.0236 -3.7265 -3.7265 -3.7179 -3.7179 -3.6294 -3.6294 -3.4946 -3.4946 -3.3937 -3.3937 -3.3145 -3.3145 -3.3114 -3.3114 4.4026 4.4026 4.4133 4.4133 4.7992 4.7992 5.0649 5.0649 k = 0.0000 0.0000 0.1410 ( 25488 PWs) bands (ev): -46.0653 -46.0653 -46.0649 -46.0649 -46.0639 -46.0639 -46.0638 -46.0638 -9.9577 -9.9577 -9.5209 -9.5209 -9.1836 -9.1836 -8.9853 -8.9853 -4.8883 -4.8883 -4.6767 -4.6767 -4.3345 -4.3345 -4.1819 -4.1819 -4.0159 -4.0159 -3.7282 -3.7282 -3.7020 -3.7020 -3.6537 -3.6537 -3.4885 -3.4885 -3.4071 -3.4071 -3.3193 -3.3193 -3.3144 -3.3144 4.4160 4.4160 4.4393 4.4393 4.7974 4.7974 5.0798 5.0798 k = 0.0000 0.0000 0.1551 ( 25474 PWs) bands (ev): -46.0653 -46.0653 -46.0649 -46.0649 -46.0639 -46.0639 -46.0638 -46.0638 -9.9462 -9.9462 -9.5400 -9.5400 -9.1742 -9.1742 -8.9907 -8.9907 -4.8581 -4.8581 -4.6793 -4.6793 -4.3569 -4.3569 -4.1673 -4.1673 -4.0075 -4.0075 -3.7390 -3.7390 -3.6785 -3.6785 -3.6775 -3.6775 -3.4821 -3.4821 -3.4213 -3.4213 -3.3245 -3.3245 -3.3184 -3.3184 4.4307 4.4307 4.4681 4.4681 4.7943 4.7943 5.0963 5.0963 k = 0.0000 0.0000 0.1692 ( 25462 PWs) bands (ev): -46.0652 -46.0652 -46.0649 -46.0649 -46.0639 -46.0639 -46.0638 -46.0638 -9.9338 -9.9338 -9.5596 -9.5596 -9.1647 -9.1647 -8.9966 -8.9966 -4.8264 -4.8264 -4.6810 -4.6810 -4.3779 -4.3779 -4.1555 -4.1555 -3.9985 -3.9985 -3.7504 -3.7504 -3.7001 -3.7001 -3.6558 -3.6558 -3.4755 -3.4755 -3.4361 -3.4361 -3.3300 -3.3300 -3.3233 -3.3233 4.4465 4.4465 4.4997 4.4997 4.7896 4.7896 5.1141 5.1141 k = 0.0000 0.0000 0.1833 ( 25466 PWs) bands (ev): -46.0652 -46.0652 -46.0649 -46.0649 -46.0639 -46.0639 -46.0638 -46.0638 -9.9204 -9.9204 -9.5797 -9.5797 -9.1553 -9.1553 -9.0028 -9.0028 -4.7938 -4.7938 -4.6816 -4.6816 -4.3972 -4.3972 -4.1475 -4.1475 -3.9888 -3.9888 -3.7623 -3.7623 -3.7198 -3.7198 -3.6349 -3.6349 -3.4686 -3.4686 -3.4510 -3.4510 -3.3360 -3.3360 -3.3291 -3.3291 4.4636 4.4636 4.5341 4.5341 4.7833 4.7833 5.1327 5.1327 k = 0.0000 0.0000 0.1974 ( 25472 PWs) bands (ev): -46.0652 -46.0652 -46.0649 -46.0649 -46.0639 -46.0639 -46.0638 -46.0638 -9.9061 -9.9061 -9.6001 -9.6001 -9.1459 -9.1459 -9.0094 -9.0094 -4.7609 -4.7609 -4.6812 -4.6812 -4.4140 -4.4140 -4.1448 -4.1448 -3.9786 -3.9786 -3.7747 -3.7747 -3.7354 -3.7354 -3.6166 -3.6166 -3.4651 -3.4651 -3.4616 -3.4616 -3.3423 -3.3423 -3.3359 -3.3359 4.4816 4.4816 4.5712 4.5712 4.7754 4.7754 5.1510 5.1510 k = 0.0000 0.0000 0.2115 ( 25462 PWs) bands (ev): -46.0652 -46.0652 -46.0649 -46.0649 -46.0638 -46.0638 -46.0638 -46.0638 -9.8910 -9.8910 -9.6207 -9.6207 -9.1365 -9.1365 -9.0163 -9.0163 -4.7289 -4.7289 -4.6796 -4.6796 -4.4275 -4.4275 -4.1486 -4.1486 -3.9678 -3.9678 -3.7873 -3.7873 -3.7456 -3.7456 -3.6023 -3.6023 -3.4767 -3.4767 -3.4543 -3.4543 -3.3488 -3.3488 -3.3436 -3.3436 4.5006 4.5006 4.6106 4.6106 4.7659 4.7659 5.1671 5.1671 k = 0.0000 0.0000 0.2256 ( 25456 PWs) bands (ev): -46.0652 -46.0652 -46.0649 -46.0649 -46.0638 -46.0638 -46.0638 -46.0638 -9.8751 -9.8751 -9.6416 -9.6416 -9.1271 -9.1271 -9.0236 -9.0236 -4.6992 -4.6992 -4.6769 -4.6769 -4.4364 -4.4364 -4.1594 -4.1594 -3.9565 -3.9565 -3.8003 -3.8003 -3.7496 -3.7496 -3.5945 -3.5945 -3.4835 -3.4835 -3.4469 -3.4469 -3.3557 -3.3557 -3.3523 -3.3523 4.5203 4.5203 4.6518 4.6518 4.7556 4.7556 5.1769 5.1769 k = 0.0000 0.0000 0.2397 ( 25462 PWs) bands (ev): -46.0652 -46.0652 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.8584 -9.8584 -9.6625 -9.6625 -9.1178 -9.1178 -9.0312 -9.0312 -4.6739 -4.6739 -4.6732 -4.6732 -4.4387 -4.4387 -4.1772 -4.1772 -3.9447 -3.9447 -3.8135 -3.8135 -3.7475 -3.7475 -3.5954 -3.5954 -3.4832 -3.4832 -3.4393 -3.4393 -3.3628 -3.3628 -3.3619 -3.3619 4.5406 4.5406 4.6913 4.6913 4.7478 4.7478 5.1744 5.1744 k = 0.0000 0.0000 0.2538 ( 25470 PWs) bands (ev): -46.0651 -46.0651 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.8409 -9.8409 -9.6834 -9.6834 -9.1086 -9.1086 -9.0390 -9.0390 -4.6686 -4.6686 -4.6551 -4.6551 -4.4326 -4.4326 -4.2011 -4.2011 -3.9325 -3.9325 -3.8268 -3.8268 -3.7398 -3.7398 -3.6045 -3.6045 -3.4761 -3.4761 -3.4316 -3.4316 -3.3725 -3.3725 -3.3700 -3.3700 4.5614 4.5614 4.7088 4.7088 4.7630 4.7630 5.1541 5.1541 k = 0.0000 0.0000 0.2679 ( 25464 PWs) bands (ev): -46.0651 -46.0651 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.8229 -9.8229 -9.7042 -9.7042 -9.0994 -9.0994 -9.0471 -9.0471 -4.6632 -4.6632 -4.6442 -4.6442 -4.4172 -4.4172 -4.2298 -4.2298 -3.9200 -3.9200 -3.8403 -3.8403 -3.7277 -3.7277 -3.6192 -3.6192 -3.4646 -3.4646 -3.4239 -3.4239 -3.3839 -3.3839 -3.3774 -3.3774 4.5825 4.5825 4.6990 4.6990 4.8061 4.8061 5.1174 5.1174 k = 0.0000 0.0000 0.2820 ( 25456 PWs) bands (ev): -46.0651 -46.0651 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.8042 -9.8042 -9.7249 -9.7249 -9.0904 -9.0904 -9.0554 -9.0554 -4.6572 -4.6572 -4.6402 -4.6402 -4.3934 -4.3934 -4.2620 -4.2620 -3.9071 -3.9071 -3.8538 -3.8538 -3.7123 -3.7123 -3.6369 -3.6369 -3.4512 -3.4512 -3.4161 -3.4161 -3.3962 -3.3962 -3.3850 -3.3850 4.6035 4.6035 4.6828 4.6828 4.8565 4.8565 5.0703 5.0703 k = 0.0000 0.0000 0.2961 ( 25470 PWs) bands (ev): -46.0651 -46.0651 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.7850 -9.7850 -9.7453 -9.7453 -9.0814 -9.0814 -9.0639 -9.0639 -4.6511 -4.6511 -4.6413 -4.6413 -4.3637 -4.3637 -4.2960 -4.2960 -3.8941 -3.8941 -3.8673 -3.8673 -3.6946 -3.6946 -3.6561 -3.6561 -3.4370 -3.4370 -3.4093 -3.4093 -3.4082 -3.4082 -3.3927 -3.3927 4.6244 4.6244 4.6644 4.6644 4.9094 4.9094 5.0179 5.0179 k = 0.0000 0.0000 0.3103 ( 25480 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7653 -9.7653 -9.7653 -9.7653 -9.0726 -9.0726 -9.0726 -9.0726 -4.6455 -4.6455 -4.6455 -4.6455 -4.3305 -4.3305 -4.3305 -4.3305 -3.8808 -3.8808 -3.8808 -3.8808 -3.6756 -3.6756 -3.6756 -3.6756 -3.4229 -3.4229 -3.4229 -3.4229 -3.4005 -3.4005 -3.4005 -3.4005 4.6448 4.6448 4.6448 4.6448 4.9637 4.9637 4.9637 4.9637 k = 0.0000 0.0000 0.3103 ( 25480 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7653 -9.7653 -9.7653 -9.7653 -9.0726 -9.0726 -9.0726 -9.0726 -4.6455 -4.6455 -4.6455 -4.6455 -4.3305 -4.3305 -4.3305 -4.3305 -3.8808 -3.8808 -3.8808 -3.8808 -3.6756 -3.6756 -3.6756 -3.6756 -3.4229 -3.4229 -3.4229 -3.4229 -3.4005 -3.4005 -3.4005 -3.4005 4.6448 4.6448 4.6448 4.6448 4.9637 4.9637 4.9637 4.9637 k = 0.0139-0.0000 0.3103 ( 25468 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7648 -9.7648 -9.7648 -9.7648 -9.0726 -9.0726 -9.0726 -9.0726 -4.6451 -4.6451 -4.6451 -4.6451 -4.3302 -4.3302 -4.3302 -4.3302 -3.8858 -3.8858 -3.8858 -3.8858 -3.6726 -3.6726 -3.6725 -3.6725 -3.4282 -3.4282 -3.4277 -3.4277 -3.3968 -3.3968 -3.3964 -3.3964 4.6461 4.6461 4.6461 4.6461 4.9644 4.9644 4.9644 4.9644 k = 0.0278-0.0000 0.3103 ( 25472 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7632 -9.7632 -9.7632 -9.7632 -9.0726 -9.0726 -9.0726 -9.0726 -4.6438 -4.6438 -4.6438 -4.6438 -4.3294 -4.3294 -4.3294 -4.3294 -3.8999 -3.8999 -3.8999 -3.8999 -3.6645 -3.6645 -3.6644 -3.6644 -3.4391 -3.4391 -3.4385 -3.4385 -3.3893 -3.3893 -3.3888 -3.3888 4.6501 4.6501 4.6501 4.6501 4.9667 4.9667 4.9667 4.9667 k = 0.0417-0.0000 0.3103 ( 25472 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7606 -9.7606 -9.7606 -9.7606 -9.0725 -9.0725 -9.0725 -9.0725 -4.6417 -4.6417 -4.6416 -4.6416 -4.3282 -4.3282 -4.3281 -4.3281 -3.9208 -3.9208 -3.9207 -3.9207 -3.6535 -3.6535 -3.6534 -3.6534 -3.4527 -3.4527 -3.4520 -3.4520 -3.3812 -3.3812 -3.3806 -3.3806 4.6564 4.6564 4.6564 4.6564 4.9706 4.9706 4.9706 4.9706 k = 0.0556-0.0000 0.3103 ( 25478 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7570 -9.7570 -9.7570 -9.7570 -9.0725 -9.0725 -9.0725 -9.0725 -4.6387 -4.6387 -4.6387 -4.6387 -4.3266 -4.3266 -4.3265 -4.3265 -3.9462 -3.9462 -3.9460 -3.9460 -3.6419 -3.6419 -3.6417 -3.6417 -3.4684 -3.4684 -3.4677 -3.4677 -3.3730 -3.3730 -3.3724 -3.3724 4.6647 4.6647 4.6647 4.6647 4.9762 4.9762 4.9762 4.9762 k = 0.0694-0.0000 0.3103 ( 25464 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.7523 -9.7523 -9.7523 -9.7523 -9.0725 -9.0725 -9.0725 -9.0725 -4.6350 -4.6350 -4.6349 -4.6349 -4.3248 -4.3248 -4.3247 -4.3247 -3.9742 -3.9742 -3.9741 -3.9741 -3.6313 -3.6313 -3.6310 -3.6310 -3.4859 -3.4859 -3.4852 -3.4852 -3.3646 -3.3646 -3.3641 -3.3641 4.6744 4.6744 4.6744 4.6744 4.9839 4.9839 4.9839 4.9839 k = 0.0833-0.0000 0.3103 ( 25466 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.7466 -9.7466 -9.7466 -9.7466 -9.0726 -9.0726 -9.0726 -9.0726 -4.6304 -4.6304 -4.6304 -4.6304 -4.3232 -4.3232 -4.3231 -4.3231 -4.0035 -4.0035 -4.0034 -4.0034 -3.6227 -3.6227 -3.6224 -3.6224 -3.5052 -3.5052 -3.5044 -3.5044 -3.3562 -3.3562 -3.3557 -3.3557 4.6849 4.6849 4.6849 4.6849 4.9939 4.9939 4.9940 4.9940 k = 0.0972-0.0000 0.3103 ( 25478 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.7400 -9.7400 -9.7400 -9.7400 -9.0727 -9.0727 -9.0727 -9.0727 -4.6252 -4.6252 -4.6251 -4.6251 -4.3222 -4.3222 -4.3220 -4.3220 -4.0329 -4.0329 -4.0327 -4.0327 -3.6172 -3.6172 -3.6167 -3.6167 -3.5256 -3.5256 -3.5247 -3.5247 -3.3477 -3.3477 -3.3472 -3.3472 4.6954 4.6954 4.6954 4.6954 5.0069 5.0069 5.0070 5.0070 k = 0.1111-0.0000 0.3103 ( 25472 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.7323 -9.7323 -9.7323 -9.7323 -9.0729 -9.0729 -9.0729 -9.0729 -4.6193 -4.6193 -4.6192 -4.6192 -4.3223 -4.3223 -4.3221 -4.3221 -4.0611 -4.0611 -4.0609 -4.0609 -3.6158 -3.6158 -3.6152 -3.6152 -3.5464 -3.5464 -3.5454 -3.5454 -3.3392 -3.3392 -3.3387 -3.3387 4.7052 4.7052 4.7053 4.7053 5.0231 5.0231 5.0233 5.0233 k = 0.1250-0.0000 0.3103 ( 25472 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.7237 -9.7237 -9.7237 -9.7237 -9.0732 -9.0732 -9.0732 -9.0732 -4.6128 -4.6128 -4.6127 -4.6127 -4.3246 -4.3246 -4.3243 -4.3243 -4.0869 -4.0869 -4.0866 -4.0866 -3.6205 -3.6205 -3.6198 -3.6198 -3.5653 -3.5653 -3.5643 -3.5643 -3.3310 -3.3310 -3.3305 -3.3305 4.7138 4.7138 4.7139 4.7139 5.0431 5.0431 5.0433 5.0433 k = 0.1389-0.0000 0.3103 ( 25460 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.7141 -9.7141 -9.7141 -9.7141 -9.0737 -9.0737 -9.0737 -9.0737 -4.6058 -4.6058 -4.6057 -4.6057 -4.3299 -4.3299 -4.3295 -4.3295 -4.1087 -4.1087 -4.1085 -4.1085 -3.6337 -3.6337 -3.6331 -3.6331 -3.5796 -3.5796 -3.5787 -3.5787 -3.3232 -3.3232 -3.3228 -3.3228 4.7210 4.7210 4.7211 4.7211 5.0669 5.0669 5.0671 5.0671 k = 0.1528-0.0000 0.3103 ( 25460 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.7036 -9.7036 -9.7036 -9.7036 -9.0745 -9.0745 -9.0745 -9.0745 -4.5985 -4.5985 -4.5983 -4.5983 -4.3392 -4.3392 -4.3389 -4.3389 -4.1254 -4.1254 -4.1251 -4.1251 -3.6551 -3.6551 -3.6547 -3.6547 -3.5893 -3.5893 -3.5886 -3.5886 -3.3162 -3.3162 -3.3158 -3.3158 4.7267 4.7267 4.7268 4.7268 5.0945 5.0945 5.0948 5.0948 k = 0.1667-0.0000 0.3103 ( 25482 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.6923 -9.6923 -9.6923 -9.6923 -9.0754 -9.0754 -9.0754 -9.0754 -4.5910 -4.5910 -4.5908 -4.5908 -4.3530 -4.3530 -4.3526 -4.3526 -4.1362 -4.1362 -4.1359 -4.1359 -3.6814 -3.6814 -3.6812 -3.6812 -3.5972 -3.5972 -3.5966 -3.5966 -3.3103 -3.3103 -3.3099 -3.3099 4.7310 4.7310 4.7311 4.7311 5.1256 5.1256 5.1259 5.1259 k = 0.1806-0.0000 0.3103 ( 25480 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.6801 -9.6801 -9.6801 -9.6801 -9.0767 -9.0767 -9.0767 -9.0767 -4.5836 -4.5836 -4.5834 -4.5834 -4.3707 -4.3707 -4.3702 -4.3702 -4.1414 -4.1414 -4.1410 -4.1410 -3.7103 -3.7103 -3.7102 -3.7102 -3.6052 -3.6052 -3.6048 -3.6048 -3.3055 -3.3055 -3.3051 -3.3051 4.7345 4.7345 4.7346 4.7346 5.1597 5.1597 5.1600 5.1600 k = 0.1944-0.0000 0.3103 ( 25468 PWs) bands (ev): -46.0649 -46.0649 -46.0649 -46.0649 -46.0639 -46.0639 -46.0639 -46.0639 -9.6670 -9.6670 -9.6670 -9.6670 -9.0783 -9.0783 -9.0783 -9.0783 -4.5767 -4.5767 -4.5765 -4.5765 -4.3910 -4.3910 -4.3905 -4.3905 -4.1417 -4.1417 -4.1414 -4.1414 -3.7404 -3.7404 -3.7403 -3.7403 -3.6141 -3.6141 -3.6138 -3.6138 -3.3021 -3.3021 -3.3018 -3.3018 4.7374 4.7374 4.7376 4.7376 5.1961 5.1961 5.1965 5.1965 k = 0.2083-0.0000 0.3103 ( 25480 PWs) bands (ev): -46.0649 -46.0649 -46.0649 -46.0649 -46.0639 -46.0639 -46.0639 -46.0639 -9.6532 -9.6532 -9.6532 -9.6532 -9.0803 -9.0803 -9.0803 -9.0803 -4.5710 -4.5710 -4.5708 -4.5708 -4.4122 -4.4122 -4.4116 -4.4116 -4.1386 -4.1386 -4.1383 -4.1383 -3.7707 -3.7707 -3.7707 -3.7707 -3.6241 -3.6241 -3.6238 -3.6238 -3.3003 -3.3003 -3.3000 -3.3000 4.7404 4.7404 4.7405 4.7405 5.2344 5.2344 5.2348 5.2348 k = 0.2222-0.0000 0.3103 ( 25472 PWs) bands (ev): -46.0649 -46.0649 -46.0649 -46.0649 -46.0639 -46.0639 -46.0639 -46.0639 -9.6387 -9.6387 -9.6387 -9.6387 -9.0827 -9.0827 -9.0827 -9.0827 -4.5675 -4.5675 -4.5672 -4.5672 -4.4322 -4.4322 -4.4316 -4.4316 -4.1332 -4.1332 -4.1329 -4.1329 -3.8005 -3.8005 -3.8005 -3.8005 -3.6352 -3.6352 -3.6349 -3.6349 -3.3002 -3.3002 -3.2999 -3.2999 4.7437 4.7437 4.7439 4.7439 5.2739 5.2739 5.2742 5.2742 k = 0.2361-0.0000 0.3103 ( 25452 PWs) bands (ev): -46.0649 -46.0649 -46.0649 -46.0649 -46.0640 -46.0640 -46.0640 -46.0640 -9.6234 -9.6234 -9.6234 -9.6234 -9.0856 -9.0856 -9.0856 -9.0856 -4.5676 -4.5676 -4.5672 -4.5672 -4.4490 -4.4490 -4.4484 -4.4484 -4.1268 -4.1268 -4.1264 -4.1264 -3.8288 -3.8288 -3.8288 -3.8288 -3.6473 -3.6473 -3.6471 -3.6471 -3.3019 -3.3019 -3.3015 -3.3015 4.7479 4.7479 4.7480 4.7480 5.3139 5.3139 5.3143 5.3143 k = 0.2500-0.0000 0.3103 ( 25464 PWs) bands (ev): -46.0649 -46.0649 -46.0649 -46.0649 -46.0640 -46.0640 -46.0640 -46.0640 -9.6075 -9.6075 -9.6075 -9.6075 -9.0891 -9.0891 -9.0891 -9.0891 -4.5727 -4.5727 -4.5723 -4.5723 -4.4608 -4.4608 -4.4601 -4.4601 -4.1203 -4.1203 -4.1199 -4.1199 -3.8545 -3.8545 -3.8545 -3.8545 -3.6605 -3.6605 -3.6603 -3.6603 -3.3053 -3.3053 -3.3050 -3.3050 4.7531 4.7531 4.7532 4.7532 5.3539 5.3539 5.3542 5.3542 k = 0.2639-0.0000 0.3103 ( 25460 PWs) bands (ev): -46.0648 -46.0648 -46.0648 -46.0648 -46.0640 -46.0640 -46.0640 -46.0640 -9.5910 -9.5910 -9.5910 -9.5910 -9.0931 -9.0931 -9.0931 -9.0931 -4.5831 -4.5831 -4.5827 -4.5827 -4.4670 -4.4670 -4.4663 -4.4663 -4.1151 -4.1151 -4.1147 -4.1147 -3.8762 -3.8762 -3.8762 -3.8762 -3.6747 -3.6747 -3.6745 -3.6745 -3.3106 -3.3106 -3.3102 -3.3102 4.7596 4.7596 4.7597 4.7597 5.3931 5.3931 5.3934 5.3934 k = 0.2778-0.0000 0.3103 ( 25436 PWs) bands (ev): -46.0648 -46.0648 -46.0648 -46.0648 -46.0640 -46.0640 -46.0640 -46.0640 -9.5739 -9.5739 -9.5739 -9.5739 -9.0978 -9.0978 -9.0978 -9.0978 -4.5974 -4.5974 -4.5971 -4.5971 -4.4690 -4.4690 -4.4684 -4.4684 -4.1123 -4.1123 -4.1118 -4.1118 -3.8925 -3.8925 -3.8925 -3.8925 -3.6897 -3.6897 -3.6895 -3.6895 -3.3176 -3.3176 -3.3173 -3.3173 4.7678 4.7678 4.7679 4.7679 5.4307 5.4307 5.4311 5.4311 k = 0.2917-0.0000 0.3103 ( 25440 PWs) bands (ev): -46.0648 -46.0648 -46.0648 -46.0648 -46.0640 -46.0640 -46.0640 -46.0640 -9.5564 -9.5564 -9.5564 -9.5564 -9.1032 -9.1032 -9.1031 -9.1031 -4.6137 -4.6137 -4.6134 -4.6134 -4.4691 -4.4691 -4.4686 -4.4686 -4.1126 -4.1126 -4.1120 -4.1120 -3.9022 -3.9022 -3.9021 -3.9021 -3.7055 -3.7055 -3.7053 -3.7053 -3.3265 -3.3265 -3.3261 -3.3261 4.7776 4.7776 4.7777 4.7777 5.4660 5.4660 5.4664 5.4664 k = 0.3056-0.0000 0.3103 ( 25426 PWs) bands (ev): -46.0648 -46.0648 -46.0648 -46.0648 -46.0640 -46.0640 -46.0640 -46.0640 -9.5383 -9.5383 -9.5383 -9.5383 -9.1092 -9.1092 -9.1092 -9.1092 -4.6303 -4.6303 -4.6301 -4.6301 -4.4692 -4.4692 -4.4687 -4.4687 -4.1160 -4.1160 -4.1154 -4.1154 -3.9046 -3.9046 -3.9045 -3.9045 -3.7219 -3.7219 -3.7218 -3.7218 -3.3370 -3.3370 -3.3367 -3.3367 4.7894 4.7894 4.7895 4.7895 5.4977 5.4977 5.4982 5.4982 k = 0.3194-0.0000 0.3103 ( 25426 PWs) bands (ev): -46.0647 -46.0647 -46.0647 -46.0647 -46.0641 -46.0641 -46.0641 -46.0641 -9.5200 -9.5200 -9.5200 -9.5200 -9.1160 -9.1160 -9.1160 -9.1160 -4.6462 -4.6462 -4.6460 -4.6460 -4.4706 -4.4706 -4.4701 -4.4701 -4.1213 -4.1213 -4.1207 -4.1207 -3.9006 -3.9006 -3.9004 -3.9004 -3.7389 -3.7389 -3.7388 -3.7388 -3.3492 -3.3492 -3.3489 -3.3489 4.8031 4.8031 4.8032 4.8032 5.5243 5.5243 5.5248 5.5248 k = 0.3333-0.0000 0.3103 ( 25430 PWs) bands (ev): -46.0647 -46.0647 -46.0647 -46.0647 -46.0641 -46.0641 -46.0641 -46.0641 -9.5012 -9.5012 -9.5012 -9.5012 -9.1236 -9.1236 -9.1235 -9.1235 -4.6608 -4.6608 -4.6606 -4.6606 -4.4745 -4.4745 -4.4740 -4.4740 -4.1268 -4.1268 -4.1262 -4.1262 -3.8912 -3.8912 -3.8911 -3.8911 -3.7563 -3.7563 -3.7562 -3.7562 -3.3631 -3.3631 -3.3628 -3.3628 4.8189 4.8189 4.8190 4.8190 5.5437 5.5437 5.5442 5.5442 k = 0.3472-0.0000 0.3103 ( 25422 PWs) bands (ev): -46.0647 -46.0647 -46.0647 -46.0647 -46.0641 -46.0641 -46.0641 -46.0641 -9.4823 -9.4823 -9.4823 -9.4823 -9.1319 -9.1319 -9.1319 -9.1319 -4.6736 -4.6736 -4.6735 -4.6735 -4.4814 -4.4814 -4.4810 -4.4810 -4.1306 -4.1306 -4.1300 -4.1300 -3.8783 -3.8783 -3.8782 -3.8782 -3.7737 -3.7737 -3.7737 -3.7737 -3.3784 -3.3784 -3.3781 -3.3781 4.8369 4.8369 4.8369 4.8369 5.5535 5.5535 5.5539 5.5539 k = 0.3611-0.0000 0.3103 ( 25432 PWs) bands (ev): -46.0647 -46.0647 -46.0647 -46.0647 -46.0641 -46.0641 -46.0641 -46.0641 -9.4631 -9.4631 -9.4631 -9.4631 -9.1411 -9.1411 -9.1411 -9.1411 -4.6844 -4.6844 -4.6843 -4.6843 -4.4915 -4.4915 -4.4912 -4.4912 -4.1317 -4.1317 -4.1311 -4.1311 -3.8636 -3.8636 -3.8635 -3.8635 -3.7903 -3.7903 -3.7902 -3.7902 -3.3952 -3.3952 -3.3949 -3.3949 4.8570 4.8570 4.8570 4.8570 5.5515 5.5515 5.5519 5.5519 k = 0.3750-0.0000 0.3103 ( 25424 PWs) bands (ev): -46.0646 -46.0646 -46.0646 -46.0646 -46.0641 -46.0641 -46.0641 -46.0641 -9.4438 -9.4438 -9.4438 -9.4438 -9.1511 -9.1511 -9.1511 -9.1511 -4.6930 -4.6930 -4.6929 -4.6929 -4.5048 -4.5048 -4.5044 -4.5044 -4.1295 -4.1295 -4.1289 -4.1289 -3.8514 -3.8514 -3.8511 -3.8511 -3.8028 -3.8028 -3.8024 -3.8024 -3.4133 -3.4133 -3.4130 -3.4130 4.8793 4.8793 4.8793 4.8793 5.5368 5.5368 5.5372 5.5372 k = 0.3889-0.0000 0.3103 ( 25446 PWs) bands (ev): -46.0646 -46.0646 -46.0646 -46.0646 -46.0642 -46.0642 -46.0642 -46.0642 -9.4245 -9.4245 -9.4245 -9.4245 -9.1619 -9.1619 -9.1619 -9.1619 -4.6992 -4.6992 -4.6991 -4.6991 -4.5206 -4.5206 -4.5203 -4.5203 -4.1239 -4.1239 -4.1234 -4.1234 -3.8515 -3.8515 -3.8510 -3.8510 -3.8015 -3.8015 -3.8010 -3.8010 -3.4326 -3.4326 -3.4323 -3.4323 4.9038 4.9038 4.9038 4.9038 5.5110 5.5110 5.5113 5.5113 k = 0.4028-0.0000 0.3103 ( 25418 PWs) bands (ev): -46.0646 -46.0646 -46.0646 -46.0646 -46.0642 -46.0642 -46.0642 -46.0642 -9.4052 -9.4052 -9.4052 -9.4052 -9.1735 -9.1735 -9.1735 -9.1735 -4.7030 -4.7030 -4.7030 -4.7030 -4.5383 -4.5383 -4.5380 -4.5380 -4.1152 -4.1152 -4.1147 -4.1147 -3.8649 -3.8649 -3.8644 -3.8644 -3.7859 -3.7859 -3.7854 -3.7854 -3.4530 -3.4530 -3.4527 -3.4527 4.9305 4.9305 4.9305 4.9305 5.4768 5.4768 5.4771 5.4771 k = 0.4167-0.0000 0.3103 ( 25412 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3859 -9.3859 -9.3859 -9.3859 -9.1860 -9.1860 -9.1860 -9.1860 -4.7044 -4.7044 -4.7043 -4.7043 -4.5571 -4.5571 -4.5569 -4.5569 -4.1039 -4.1039 -4.1035 -4.1035 -3.8828 -3.8828 -3.8824 -3.8824 -3.7649 -3.7649 -3.7645 -3.7645 -3.4745 -3.4745 -3.4742 -3.4742 4.9593 4.9593 4.9594 4.9594 5.4372 5.4372 5.4374 5.4374 k = 0.4306-0.0000 0.3103 ( 25416 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3669 -9.3669 -9.3669 -9.3669 -9.1992 -9.1992 -9.1992 -9.1992 -4.7032 -4.7032 -4.7032 -4.7032 -4.5764 -4.5764 -4.5763 -4.5763 -4.0904 -4.0904 -4.0900 -4.0900 -3.9022 -3.9022 -3.9018 -3.9018 -3.7418 -3.7418 -3.7415 -3.7415 -3.4968 -3.4968 -3.4965 -3.4965 4.9904 4.9904 4.9904 4.9904 5.3944 5.3944 5.3946 5.3946 k = 0.4444-0.0000 0.3103 ( 25402 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0643 -46.0643 -46.0643 -46.0643 -9.3480 -9.3480 -9.3480 -9.3480 -9.2132 -9.2132 -9.2132 -9.2132 -4.6996 -4.6996 -4.6996 -4.6996 -4.5956 -4.5956 -4.5955 -4.5955 -4.0751 -4.0751 -4.0747 -4.0747 -3.9222 -3.9222 -3.9219 -3.9219 -3.7178 -3.7178 -3.7174 -3.7174 -3.5199 -3.5199 -3.5196 -3.5196 5.0235 5.0235 5.0235 5.0235 5.3501 5.3501 5.3502 5.3502 k = 0.4583-0.0000 0.3103 ( 25396 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0643 -46.0643 -46.0643 -46.0643 -9.3295 -9.3295 -9.3295 -9.3295 -9.2280 -9.2280 -9.2280 -9.2280 -4.6937 -4.6937 -4.6937 -4.6937 -4.6142 -4.6142 -4.6141 -4.6141 -4.0584 -4.0584 -4.0580 -4.0580 -3.9425 -3.9425 -3.9421 -3.9421 -3.6931 -3.6931 -3.6928 -3.6928 -3.5437 -3.5437 -3.5434 -3.5434 5.0587 5.0587 5.0587 5.0587 5.3054 5.3054 5.3055 5.3055 k = 0.4722-0.0000 0.3103 ( 25400 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0643 -46.0643 -46.0643 -46.0643 -9.3113 -9.3113 -9.3113 -9.3113 -9.2434 -9.2434 -9.2434 -9.2434 -4.6854 -4.6854 -4.6853 -4.6853 -4.6317 -4.6317 -4.6316 -4.6316 -4.0406 -4.0406 -4.0402 -4.0402 -3.9627 -3.9627 -3.9624 -3.9624 -3.6681 -3.6681 -3.6677 -3.6677 -3.5680 -3.5680 -3.5677 -3.5677 5.0958 5.0958 5.0959 5.0959 5.2611 5.2611 5.2612 5.2612 k = 0.4861-0.0000 0.3103 ( 25382 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0643 -46.0643 -46.0643 -46.0643 -9.2935 -9.2935 -9.2935 -9.2935 -9.2595 -9.2595 -9.2595 -9.2595 -4.6749 -4.6749 -4.6748 -4.6748 -4.6478 -4.6478 -4.6477 -4.6477 -4.0219 -4.0219 -4.0216 -4.0216 -3.9828 -3.9828 -3.9825 -3.9825 -3.6429 -3.6429 -3.6426 -3.6426 -3.5927 -3.5927 -3.5924 -3.5924 5.1348 5.1348 5.1349 5.1349 5.2177 5.2177 5.2178 5.2178 k = 0.5000-0.0000 0.3103 ( 25380 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2763 -9.2763 -9.2763 -9.2763 -9.2763 -9.2763 -9.2763 -9.2763 -4.6623 -4.6623 -4.6623 -4.6623 -4.6622 -4.6622 -4.6622 -4.6622 -4.0026 -4.0026 -4.0026 -4.0026 -4.0023 -4.0023 -4.0023 -4.0023 -3.6177 -3.6177 -3.6177 -3.6177 -3.6174 -3.6174 -3.6174 -3.6174 5.1755 5.1755 5.1755 5.1755 5.1755 5.1755 5.1755 5.1755 k = 0.5000-0.0000 0.3103 ( 25380 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2763 -9.2763 -9.2763 -9.2763 -9.2763 -9.2763 -9.2763 -9.2763 -4.6623 -4.6623 -4.6623 -4.6623 -4.6622 -4.6622 -4.6622 -4.6622 -4.0026 -4.0026 -4.0026 -4.0026 -4.0023 -4.0023 -4.0023 -4.0023 -3.6177 -3.6177 -3.6177 -3.6177 -3.6174 -3.6174 -3.6174 -3.6174 5.1755 5.1755 5.1755 5.1755 5.1755 5.1755 5.1755 5.1755 k = 0.5000 0.0137 0.3103 ( 25368 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2762 -9.2762 -9.2762 -9.2762 -9.2762 -9.2762 -9.2762 -9.2762 -4.6638 -4.6638 -4.6638 -4.6638 -4.6637 -4.6637 -4.6637 -4.6637 -4.0009 -4.0009 -4.0009 -4.0009 -4.0006 -4.0006 -4.0006 -4.0006 -3.6177 -3.6177 -3.6177 -3.6177 -3.6174 -3.6174 -3.6174 -3.6174 5.1735 5.1735 5.1735 5.1735 5.1735 5.1735 5.1735 5.1735 k = 0.5000 0.0274 0.3103 ( 25392 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2761 -9.2761 -9.2761 -9.2761 -9.2761 -9.2761 -9.2761 -9.2761 -4.6682 -4.6682 -4.6681 -4.6681 -4.6681 -4.6681 -4.6681 -4.6681 -3.9960 -3.9960 -3.9960 -3.9960 -3.9957 -3.9957 -3.9957 -3.9957 -3.6176 -3.6176 -3.6176 -3.6176 -3.6173 -3.6173 -3.6173 -3.6173 5.1675 5.1675 5.1675 5.1675 5.1675 5.1675 5.1676 5.1676 k = 0.5000 0.0410 0.3103 ( 25396 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2760 -9.2760 -9.2760 -9.2760 -9.2760 -9.2760 -9.2760 -9.2760 -4.6752 -4.6752 -4.6752 -4.6752 -4.6752 -4.6752 -4.6752 -4.6752 -3.9881 -3.9881 -3.9880 -3.9880 -3.9878 -3.9878 -3.9877 -3.9877 -3.6175 -3.6175 -3.6174 -3.6174 -3.6171 -3.6171 -3.6171 -3.6171 5.1579 5.1579 5.1580 5.1580 5.1580 5.1580 5.1580 5.1580 k = 0.5000 0.0547 0.3103 ( 25388 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2757 -9.2757 -9.2757 -9.2757 -9.2757 -9.2757 -9.2757 -9.2757 -4.6847 -4.6847 -4.6847 -4.6847 -4.6847 -4.6847 -4.6847 -4.6847 -3.9774 -3.9774 -3.9773 -3.9773 -3.9771 -3.9771 -3.9770 -3.9770 -3.6172 -3.6172 -3.6171 -3.6171 -3.6169 -3.6169 -3.6168 -3.6168 5.1454 5.1454 5.1454 5.1454 5.1454 5.1454 5.1455 5.1455 k = 0.5000 0.0684 0.3103 ( 25412 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2754 -9.2754 -9.2754 -9.2754 -9.2754 -9.2754 -9.2754 -9.2754 -4.6963 -4.6963 -4.6963 -4.6963 -4.6963 -4.6963 -4.6962 -4.6962 -3.9644 -3.9644 -3.9643 -3.9643 -3.9641 -3.9641 -3.9640 -3.9640 -3.6169 -3.6169 -3.6168 -3.6168 -3.6165 -3.6165 -3.6165 -3.6165 5.1304 5.1304 5.1304 5.1304 5.1304 5.1304 5.1305 5.1305 k = 0.5000 0.0821 0.3103 ( 25412 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2751 -9.2751 -9.2751 -9.2751 -9.2751 -9.2751 -9.2751 -9.2751 -4.7095 -4.7095 -4.7095 -4.7095 -4.7094 -4.7094 -4.7094 -4.7094 -3.9495 -3.9495 -3.9494 -3.9494 -3.9492 -3.9492 -3.9490 -3.9490 -3.6165 -3.6165 -3.6164 -3.6164 -3.6161 -3.6161 -3.6161 -3.6161 5.1137 5.1137 5.1137 5.1137 5.1137 5.1137 5.1138 5.1138 k = 0.5000 0.0958 0.3103 ( 25400 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2747 -9.2747 -9.2747 -9.2747 -9.2747 -9.2747 -9.2747 -9.2747 -4.7239 -4.7239 -4.7239 -4.7239 -4.7239 -4.7239 -4.7238 -4.7238 -3.9331 -3.9331 -3.9330 -3.9330 -3.9328 -3.9328 -3.9326 -3.9326 -3.6160 -3.6160 -3.6159 -3.6159 -3.6157 -3.6157 -3.6156 -3.6156 5.0959 5.0959 5.0959 5.0959 5.0959 5.0959 5.0960 5.0960 k = 0.5000 0.1094 0.3103 ( 25408 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2743 -9.2743 -9.2743 -9.2743 -9.2743 -9.2743 -9.2743 -9.2743 -4.7392 -4.7392 -4.7392 -4.7392 -4.7392 -4.7392 -4.7391 -4.7391 -3.9157 -3.9157 -3.9155 -3.9155 -3.9154 -3.9154 -3.9152 -3.9152 -3.6155 -3.6155 -3.6153 -3.6153 -3.6151 -3.6151 -3.6150 -3.6150 5.0775 5.0775 5.0775 5.0775 5.0776 5.0776 5.0776 5.0776 k = 0.5000 0.1231 0.3103 ( 25428 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2738 -9.2738 -9.2738 -9.2738 -9.2738 -9.2738 -9.2738 -9.2738 -4.7550 -4.7550 -4.7550 -4.7550 -4.7550 -4.7550 -4.7549 -4.7549 -3.8976 -3.8976 -3.8975 -3.8975 -3.8973 -3.8973 -3.8971 -3.8971 -3.6148 -3.6148 -3.6146 -3.6146 -3.6144 -3.6144 -3.6143 -3.6143 5.0591 5.0591 5.0591 5.0591 5.0591 5.0591 5.0592 5.0592 k = 0.5000 0.1368 0.3103 ( 25404 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2733 -9.2733 -9.2733 -9.2733 -9.2733 -9.2733 -9.2733 -9.2733 -4.7710 -4.7710 -4.7710 -4.7710 -4.7710 -4.7710 -4.7710 -4.7710 -3.8793 -3.8793 -3.8791 -3.8791 -3.8790 -3.8790 -3.8787 -3.8787 -3.6140 -3.6140 -3.6138 -3.6138 -3.6136 -3.6136 -3.6135 -3.6135 5.0410 5.0410 5.0410 5.0410 5.0411 5.0411 5.0412 5.0412 k = 0.5000 0.1505 0.3103 ( 25408 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2728 -9.2728 -9.2728 -9.2728 -9.2728 -9.2728 -9.2728 -9.2728 -4.7869 -4.7869 -4.7869 -4.7869 -4.7869 -4.7869 -4.7869 -4.7869 -3.8610 -3.8610 -3.8609 -3.8609 -3.8608 -3.8608 -3.8605 -3.8605 -3.6132 -3.6132 -3.6129 -3.6129 -3.6128 -3.6128 -3.6127 -3.6127 5.0236 5.0236 5.0236 5.0236 5.0237 5.0237 5.0238 5.0238 k = 0.5000 0.1642 0.3103 ( 25432 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2723 -9.2723 -9.2723 -9.2723 -9.2723 -9.2723 -9.2723 -9.2723 -4.8025 -4.8025 -4.8025 -4.8025 -4.8025 -4.8025 -4.8024 -4.8024 -3.8432 -3.8432 -3.8430 -3.8430 -3.8429 -3.8429 -3.8426 -3.8426 -3.6122 -3.6122 -3.6119 -3.6119 -3.6118 -3.6118 -3.6117 -3.6117 5.0072 5.0072 5.0072 5.0072 5.0073 5.0073 5.0073 5.0073 k = 0.5000 0.1778 0.3103 ( 25408 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2718 -9.2718 -9.2717 -9.2717 -9.2717 -9.2717 -9.2717 -9.2717 -4.8175 -4.8175 -4.8175 -4.8175 -4.8175 -4.8175 -4.8175 -4.8175 -3.8260 -3.8260 -3.8258 -3.8258 -3.8257 -3.8257 -3.8254 -3.8254 -3.6111 -3.6111 -3.6108 -3.6108 -3.6107 -3.6107 -3.6106 -3.6106 4.9919 4.9919 4.9919 4.9919 4.9920 4.9920 4.9921 4.9921 k = 0.5000 0.1915 0.3103 ( 25408 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2712 -9.2712 -9.2712 -9.2712 -9.2712 -9.2712 -9.2712 -9.2712 -4.8318 -4.8318 -4.8318 -4.8318 -4.8318 -4.8318 -4.8317 -4.8317 -3.8097 -3.8097 -3.8095 -3.8095 -3.8095 -3.8095 -3.8091 -3.8091 -3.6099 -3.6099 -3.6095 -3.6095 -3.6094 -3.6094 -3.6094 -3.6094 4.9779 4.9779 4.9779 4.9779 4.9780 4.9780 4.9780 4.9780 k = 0.5000 0.2052 0.3103 ( 25392 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2707 -9.2707 -9.2707 -9.2707 -9.2707 -9.2707 -9.2707 -9.2707 -4.8451 -4.8451 -4.8451 -4.8451 -4.8451 -4.8451 -4.8451 -4.8451 -3.7945 -3.7945 -3.7944 -3.7944 -3.7943 -3.7943 -3.7940 -3.7940 -3.6086 -3.6086 -3.6082 -3.6082 -3.6081 -3.6081 -3.6080 -3.6080 4.9652 4.9652 4.9653 4.9653 4.9653 4.9653 4.9654 4.9654 k = 0.5000 0.2189 0.3103 ( 25404 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2703 -9.2703 -9.2703 -9.2703 -9.2703 -9.2703 -9.2703 -9.2703 -4.8574 -4.8574 -4.8574 -4.8574 -4.8574 -4.8574 -4.8573 -4.8573 -3.7807 -3.7807 -3.7806 -3.7806 -3.7805 -3.7805 -3.7801 -3.7801 -3.6071 -3.6071 -3.6068 -3.6068 -3.6067 -3.6067 -3.6066 -3.6066 4.9540 4.9540 4.9540 4.9540 4.9541 4.9541 4.9541 4.9541 k = 0.5000 0.2326 0.3103 ( 25416 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2698 -9.2698 -9.2698 -9.2698 -9.2698 -9.2698 -9.2698 -9.2698 -4.8685 -4.8685 -4.8685 -4.8685 -4.8685 -4.8685 -4.8685 -4.8685 -3.7683 -3.7683 -3.7682 -3.7682 -3.7681 -3.7681 -3.7678 -3.7678 -3.6056 -3.6056 -3.6052 -3.6052 -3.6052 -3.6052 -3.6052 -3.6052 4.9442 4.9442 4.9442 4.9442 4.9443 4.9443 4.9443 4.9443 k = 0.5000 0.2462 0.3103 ( 25400 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2694 -9.2694 -9.2694 -9.2694 -9.2694 -9.2694 -9.2694 -9.2694 -4.8783 -4.8783 -4.8783 -4.8783 -4.8783 -4.8783 -4.8783 -4.8783 -3.7574 -3.7574 -3.7574 -3.7574 -3.7574 -3.7574 -3.7570 -3.7570 -3.6041 -3.6041 -3.6037 -3.6037 -3.6037 -3.6037 -3.6037 -3.6037 4.9358 4.9358 4.9358 4.9358 4.9359 4.9359 4.9359 4.9359 k = 0.5000 0.2599 0.3103 ( 25412 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2691 -9.2691 -9.2691 -9.2691 -9.2691 -9.2691 -9.2691 -9.2691 -4.8868 -4.8868 -4.8868 -4.8868 -4.8867 -4.8867 -4.8867 -4.8867 -3.7482 -3.7482 -3.7482 -3.7482 -3.7482 -3.7482 -3.7478 -3.7478 -3.6026 -3.6026 -3.6022 -3.6022 -3.6022 -3.6022 -3.6022 -3.6022 4.9288 4.9288 4.9288 4.9288 4.9289 4.9289 4.9289 4.9289 k = 0.5000 0.2736 0.3103 ( 25420 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2688 -9.2688 -9.2688 -9.2688 -9.2688 -9.2688 -9.2688 -9.2688 -4.8938 -4.8938 -4.8938 -4.8938 -4.8938 -4.8938 -4.8937 -4.8937 -3.7407 -3.7407 -3.7407 -3.7407 -3.7407 -3.7407 -3.7404 -3.7404 -3.6012 -3.6012 -3.6009 -3.6009 -3.6008 -3.6008 -3.6008 -3.6008 4.9232 4.9232 4.9232 4.9232 4.9232 4.9232 4.9232 4.9232 k = 0.5000 0.2873 0.3103 ( 25400 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2686 -9.2686 -9.2686 -9.2686 -9.2686 -9.2686 -9.2686 -9.2686 -4.8993 -4.8993 -4.8993 -4.8993 -4.8993 -4.8993 -4.8992 -4.8992 -3.7349 -3.7349 -3.7349 -3.7349 -3.7349 -3.7349 -3.7346 -3.7346 -3.6000 -3.6000 -3.5998 -3.5998 -3.5997 -3.5997 -3.5996 -3.5996 4.9188 4.9188 4.9189 4.9189 4.9189 4.9189 4.9189 4.9189 k = 0.5000 0.3010 0.3103 ( 25392 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2684 -9.2684 -9.2684 -9.2684 -9.2684 -9.2684 -9.2684 -9.2684 -4.9033 -4.9033 -4.9033 -4.9033 -4.9032 -4.9032 -4.9032 -4.9032 -3.7308 -3.7308 -3.7308 -3.7308 -3.7307 -3.7307 -3.7305 -3.7305 -3.5991 -3.5991 -3.5989 -3.5989 -3.5987 -3.5987 -3.5987 -3.5987 4.9158 4.9158 4.9158 4.9158 4.9158 4.9158 4.9158 4.9158 k = 0.5000 0.3146 0.3103 ( 25400 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2683 -9.2683 -9.2683 -9.2683 -9.2683 -9.2683 -9.2683 -9.2683 -4.9056 -4.9056 -4.9056 -4.9056 -4.9056 -4.9056 -4.9056 -4.9056 -3.7284 -3.7284 -3.7283 -3.7283 -3.7282 -3.7282 -3.7281 -3.7281 -3.5984 -3.5984 -3.5984 -3.5984 -3.5981 -3.5981 -3.5981 -3.5981 4.9140 4.9140 4.9140 4.9140 4.9140 4.9140 4.9140 4.9140 k = 0.5000 0.3283 0.3103 ( 25408 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2683 -9.2683 -9.2683 -9.2683 -9.2683 -9.2683 -9.2683 -9.2683 -4.9064 -4.9064 -4.9064 -4.9064 -4.9064 -4.9064 -4.9064 -4.9064 -3.7275 -3.7275 -3.7275 -3.7275 -3.7273 -3.7273 -3.7273 -3.7273 -3.5982 -3.5982 -3.5982 -3.5982 -3.5979 -3.5979 -3.5979 -3.5979 4.9134 4.9134 4.9134 4.9134 4.9134 4.9134 4.9134 4.9134 k = 0.5000 0.3283 0.3103 ( 25408 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2683 -9.2683 -9.2683 -9.2683 -9.2683 -9.2683 -9.2683 -9.2683 -4.9064 -4.9064 -4.9064 -4.9064 -4.9064 -4.9064 -4.9064 -4.9064 -3.7275 -3.7275 -3.7275 -3.7275 -3.7273 -3.7273 -3.7273 -3.7273 -3.5982 -3.5982 -3.5982 -3.5982 -3.5979 -3.5979 -3.5979 -3.5979 4.9134 4.9134 4.9134 4.9134 4.9134 4.9134 4.9134 4.9134 k = 0.4861 0.3283 0.3103 ( 25404 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0643 -46.0643 -46.0643 -46.0643 -9.2803 -9.2803 -9.2803 -9.2803 -9.2569 -9.2569 -9.2569 -9.2569 -4.9190 -4.9190 -4.9190 -4.9190 -4.8913 -4.8913 -4.8913 -4.8913 -3.7464 -3.7464 -3.7464 -3.7464 -3.7128 -3.7128 -3.7128 -3.7128 -3.5989 -3.5989 -3.5989 -3.5989 -3.5934 -3.5934 -3.5934 -3.5934 4.8965 4.8965 4.8965 4.8965 4.9309 4.9309 4.9309 4.9309 k = 0.4722 0.3283 0.3103 ( 25416 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0643 -46.0643 -46.0643 -46.0643 -9.2930 -9.2930 -9.2930 -9.2930 -9.2463 -9.2463 -9.2463 -9.2463 -4.9289 -4.9289 -4.9289 -4.9289 -4.8738 -4.8738 -4.8738 -4.8738 -3.7683 -3.7683 -3.7683 -3.7683 -3.7034 -3.7034 -3.7034 -3.7034 -3.5970 -3.5970 -3.5970 -3.5970 -3.5841 -3.5841 -3.5841 -3.5841 4.8803 4.8803 4.8803 4.8803 4.9490 4.9490 4.9490 4.9490 k = 0.4583 0.3283 0.3103 ( 25404 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0643 -46.0643 -46.0643 -46.0643 -9.3062 -9.3062 -9.3062 -9.3062 -9.2364 -9.2364 -9.2364 -9.2364 -4.9362 -4.9362 -4.9362 -4.9362 -4.8538 -4.8538 -4.8538 -4.8538 -3.7920 -3.7920 -3.7920 -3.7920 -3.6992 -3.6992 -3.6992 -3.6992 -3.5936 -3.5936 -3.5936 -3.5936 -3.5702 -3.5702 -3.5702 -3.5702 4.8651 4.8651 4.8651 4.8651 4.9673 4.9673 4.9673 4.9673 k = 0.4444 0.3283 0.3103 ( 25416 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0643 -46.0643 -46.0643 -46.0643 -9.3200 -9.3200 -9.3200 -9.3200 -9.2273 -9.2273 -9.2273 -9.2273 -4.9407 -4.9407 -4.9407 -4.9407 -4.8315 -4.8315 -4.8315 -4.8315 -3.8170 -3.8170 -3.8170 -3.8170 -3.6990 -3.6990 -3.6990 -3.6990 -3.5892 -3.5892 -3.5892 -3.5892 -3.5529 -3.5529 -3.5529 -3.5529 4.8510 4.8510 4.8510 4.8510 4.9858 4.9858 4.9858 4.9858 k = 0.4306 0.3283 0.3103 ( 25424 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3343 -9.3343 -9.3343 -9.3343 -9.2190 -9.2190 -9.2190 -9.2190 -4.9426 -4.9426 -4.9426 -4.9426 -4.8071 -4.8071 -4.8071 -4.8071 -3.8425 -3.8425 -3.8425 -3.8425 -3.7015 -3.7015 -3.7015 -3.7015 -3.5843 -3.5843 -3.5843 -3.5843 -3.5337 -3.5337 -3.5337 -3.5337 4.8380 4.8380 4.8380 4.8380 5.0042 5.0042 5.0042 5.0042 k = 0.4167 0.3283 0.3103 ( 25420 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3490 -9.3490 -9.3490 -9.3490 -9.2116 -9.2116 -9.2116 -9.2116 -4.9418 -4.9418 -4.9418 -4.9418 -4.7807 -4.7807 -4.7807 -4.7807 -3.8684 -3.8684 -3.8684 -3.8684 -3.7057 -3.7057 -3.7057 -3.7057 -3.5791 -3.5791 -3.5791 -3.5791 -3.5135 -3.5135 -3.5135 -3.5135 4.8261 4.8261 4.8261 4.8261 5.0224 5.0224 5.0224 5.0224 k = 0.4028 0.3283 0.3103 ( 25416 PWs) bands (ev): -46.0646 -46.0646 -46.0646 -46.0646 -46.0642 -46.0642 -46.0642 -46.0642 -9.3639 -9.3639 -9.3639 -9.3639 -9.2049 -9.2049 -9.2049 -9.2049 -4.9383 -4.9383 -4.9383 -4.9383 -4.7524 -4.7524 -4.7524 -4.7524 -3.8942 -3.8942 -3.8942 -3.8942 -3.7110 -3.7110 -3.7110 -3.7110 -3.5739 -3.5739 -3.5739 -3.5739 -3.4933 -3.4933 -3.4933 -3.4933 4.8156 4.8156 4.8156 4.8156 5.0402 5.0402 5.0402 5.0402 k = 0.3889 0.3283 0.3103 ( 25420 PWs) bands (ev): -46.0646 -46.0646 -46.0646 -46.0646 -46.0642 -46.0642 -46.0642 -46.0642 -9.3792 -9.3792 -9.3792 -9.3792 -9.1991 -9.1991 -9.1991 -9.1991 -4.9322 -4.9322 -4.9322 -4.9322 -4.7225 -4.7225 -4.7225 -4.7225 -3.9198 -3.9198 -3.9198 -3.9198 -3.7169 -3.7169 -3.7169 -3.7169 -3.5687 -3.5687 -3.5687 -3.5687 -3.4733 -3.4733 -3.4733 -3.4733 4.8064 4.8064 4.8064 4.8064 5.0574 5.0574 5.0574 5.0574 k = 0.3750 0.3283 0.3103 ( 25432 PWs) bands (ev): -46.0646 -46.0646 -46.0646 -46.0646 -46.0642 -46.0642 -46.0642 -46.0642 -9.3947 -9.3947 -9.3947 -9.3947 -9.1940 -9.1940 -9.1940 -9.1940 -4.9235 -4.9235 -4.9235 -4.9235 -4.6911 -4.6911 -4.6911 -4.6911 -3.9450 -3.9450 -3.9450 -3.9450 -3.7232 -3.7232 -3.7232 -3.7232 -3.5636 -3.5636 -3.5636 -3.5636 -3.4541 -3.4541 -3.4541 -3.4541 4.7985 4.7985 4.7985 4.7985 5.0739 5.0739 5.0739 5.0739 k = 0.3611 0.3283 0.3103 ( 25444 PWs) bands (ev): -46.0646 -46.0646 -46.0646 -46.0646 -46.0641 -46.0641 -46.0641 -46.0641 -9.4103 -9.4103 -9.4103 -9.4103 -9.1898 -9.1898 -9.1898 -9.1898 -4.9124 -4.9124 -4.9124 -4.9124 -4.6584 -4.6584 -4.6584 -4.6584 -3.9696 -3.9696 -3.9696 -3.9696 -3.7296 -3.7296 -3.7296 -3.7296 -3.5587 -3.5587 -3.5587 -3.5587 -3.4358 -3.4358 -3.4358 -3.4358 4.7918 4.7918 4.7918 4.7918 5.0895 5.0895 5.0895 5.0895 k = 0.3472 0.3283 0.3103 ( 25428 PWs) bands (ev): -46.0647 -46.0647 -46.0647 -46.0647 -46.0641 -46.0641 -46.0641 -46.0641 -9.4259 -9.4259 -9.4259 -9.4259 -9.1863 -9.1863 -9.1863 -9.1863 -4.8988 -4.8988 -4.8988 -4.8988 -4.6248 -4.6248 -4.6248 -4.6248 -3.9933 -3.9933 -3.9933 -3.9933 -3.7361 -3.7361 -3.7361 -3.7361 -3.5541 -3.5541 -3.5541 -3.5541 -3.4186 -3.4186 -3.4186 -3.4186 4.7864 4.7864 4.7864 4.7864 5.1040 5.1040 5.1040 5.1040 k = 0.3333 0.3283 0.3103 ( 25444 PWs) bands (ev): -46.0647 -46.0647 -46.0647 -46.0647 -46.0641 -46.0641 -46.0641 -46.0641 -9.4416 -9.4416 -9.4416 -9.4416 -9.1836 -9.1836 -9.1836 -9.1836 -4.8830 -4.8830 -4.8830 -4.8830 -4.5904 -4.5904 -4.5904 -4.5904 -4.0160 -4.0160 -4.0160 -4.0160 -3.7425 -3.7425 -3.7425 -3.7425 -3.5498 -3.5498 -3.5498 -3.5498 -3.4026 -3.4026 -3.4026 -3.4026 4.7822 4.7822 4.7822 4.7822 5.1174 5.1174 5.1174 5.1174 k = 0.3194 0.3283 0.3103 ( 25436 PWs) bands (ev): -46.0647 -46.0647 -46.0647 -46.0647 -46.0641 -46.0641 -46.0641 -46.0641 -9.4571 -9.4571 -9.4571 -9.4571 -9.1815 -9.1815 -9.1815 -9.1815 -4.8650 -4.8650 -4.8650 -4.8650 -4.5558 -4.5558 -4.5558 -4.5558 -4.0373 -4.0373 -4.0373 -4.0373 -3.7487 -3.7487 -3.7487 -3.7487 -3.5458 -3.5458 -3.5458 -3.5458 -3.3882 -3.3882 -3.3882 -3.3882 4.7789 4.7789 4.7789 4.7789 5.1295 5.1295 5.1295 5.1295 k = 0.3056 0.3283 0.3103 ( 25440 PWs) bands (ev): -46.0647 -46.0647 -46.0647 -46.0647 -46.0641 -46.0641 -46.0641 -46.0641 -9.4725 -9.4725 -9.4725 -9.4725 -9.1801 -9.1801 -9.1801 -9.1801 -4.8450 -4.8450 -4.8450 -4.8450 -4.5214 -4.5214 -4.5214 -4.5214 -4.0569 -4.0569 -4.0569 -4.0569 -3.7546 -3.7546 -3.7546 -3.7546 -3.5421 -3.5421 -3.5421 -3.5421 -3.3752 -3.3752 -3.3752 -3.3752 4.7766 4.7766 4.7766 4.7766 5.1402 5.1402 5.1402 5.1402 k = 0.2917 0.3283 0.3103 ( 25416 PWs) bands (ev): -46.0648 -46.0648 -46.0648 -46.0648 -46.0640 -46.0640 -46.0640 -46.0640 -9.4877 -9.4877 -9.4877 -9.4877 -9.1793 -9.1793 -9.1793 -9.1793 -4.8231 -4.8231 -4.8231 -4.8231 -4.4877 -4.4877 -4.4877 -4.4877 -4.0743 -4.0743 -4.0743 -4.0743 -3.7602 -3.7602 -3.7602 -3.7602 -3.5389 -3.5389 -3.5389 -3.5389 -3.3639 -3.3639 -3.3639 -3.3639 4.7750 4.7750 4.7750 4.7750 5.1493 5.1493 5.1493 5.1493 k = 0.2778 0.3283 0.3103 ( 25424 PWs) bands (ev): -46.0648 -46.0648 -46.0648 -46.0648 -46.0640 -46.0640 -46.0640 -46.0640 -9.5027 -9.5027 -9.5027 -9.5027 -9.1790 -9.1790 -9.1790 -9.1790 -4.7996 -4.7996 -4.7996 -4.7996 -4.4556 -4.4556 -4.4556 -4.4556 -4.0888 -4.0888 -4.0888 -4.0888 -3.7654 -3.7654 -3.7654 -3.7654 -3.5361 -3.5361 -3.5361 -3.5361 -3.3543 -3.3543 -3.3543 -3.3543 4.7738 4.7738 4.7738 4.7738 5.1568 5.1568 5.1568 5.1568 k = 0.2639 0.3283 0.3103 ( 25424 PWs) bands (ev): -46.0648 -46.0648 -46.0648 -46.0648 -46.0640 -46.0640 -46.0640 -46.0640 -9.5173 -9.5173 -9.5173 -9.5173 -9.1792 -9.1792 -9.1792 -9.1792 -4.7747 -4.7747 -4.7747 -4.7747 -4.4262 -4.4262 -4.4262 -4.4262 -4.0996 -4.0996 -4.0996 -4.0996 -3.7700 -3.7700 -3.7700 -3.7700 -3.5337 -3.5337 -3.5337 -3.5337 -3.3465 -3.3465 -3.3465 -3.3465 4.7730 4.7730 4.7730 4.7730 5.1625 5.1625 5.1625 5.1625 k = 0.2500 0.3283 0.3103 ( 25400 PWs) bands (ev): -46.0648 -46.0648 -46.0648 -46.0648 -46.0640 -46.0640 -46.0640 -46.0640 -9.5314 -9.5314 -9.5314 -9.5314 -9.1799 -9.1799 -9.1799 -9.1799 -4.7485 -4.7485 -4.7485 -4.7485 -4.4006 -4.4006 -4.4006 -4.4006 -4.1054 -4.1054 -4.1054 -4.1054 -3.7741 -3.7741 -3.7741 -3.7741 -3.5319 -3.5319 -3.5319 -3.5319 -3.3405 -3.3405 -3.3405 -3.3405 4.7721 4.7721 4.7721 4.7721 5.1663 5.1663 5.1663 5.1663 k = 0.2361 0.3283 0.3103 ( 25416 PWs) bands (ev): -46.0649 -46.0649 -46.0649 -46.0649 -46.0640 -46.0640 -46.0640 -46.0640 -9.5452 -9.5452 -9.5452 -9.5452 -9.1809 -9.1809 -9.1809 -9.1809 -4.7213 -4.7213 -4.7213 -4.7213 -4.3803 -4.3803 -4.3803 -4.3803 -4.1051 -4.1051 -4.1051 -4.1051 -3.7775 -3.7775 -3.7775 -3.7775 -3.5305 -3.5305 -3.5305 -3.5305 -3.3364 -3.3364 -3.3364 -3.3364 4.7710 4.7710 4.7710 4.7710 5.1680 5.1680 5.1680 5.1680 k = 0.2222 0.3283 0.3103 ( 25420 PWs) bands (ev): -46.0649 -46.0649 -46.0649 -46.0649 -46.0639 -46.0639 -46.0639 -46.0639 -9.5584 -9.5584 -9.5584 -9.5584 -9.1823 -9.1823 -9.1823 -9.1823 -4.6934 -4.6934 -4.6934 -4.6934 -4.3663 -4.3663 -4.3663 -4.3663 -4.0977 -4.0977 -4.0977 -4.0977 -3.7801 -3.7801 -3.7801 -3.7801 -3.5297 -3.5297 -3.5297 -3.5297 -3.3342 -3.3342 -3.3342 -3.3342 4.7694 4.7694 4.7694 4.7694 5.1677 5.1677 5.1677 5.1677 k = 0.2083 0.3283 0.3103 ( 25420 PWs) bands (ev): -46.0649 -46.0649 -46.0649 -46.0649 -46.0639 -46.0639 -46.0639 -46.0639 -9.5711 -9.5711 -9.5711 -9.5711 -9.1839 -9.1839 -9.1839 -9.1839 -4.6650 -4.6650 -4.6650 -4.6650 -4.3588 -4.3588 -4.3588 -4.3588 -4.0834 -4.0834 -4.0834 -4.0834 -3.7820 -3.7820 -3.7820 -3.7820 -3.5295 -3.5295 -3.5295 -3.5295 -3.3339 -3.3339 -3.3339 -3.3339 4.7671 4.7671 4.7671 4.7671 5.1651 5.1651 5.1651 5.1651 k = 0.1944 0.3283 0.3103 ( 25400 PWs) bands (ev): -46.0649 -46.0649 -46.0649 -46.0649 -46.0639 -46.0639 -46.0639 -46.0639 -9.5832 -9.5832 -9.5832 -9.5832 -9.1857 -9.1857 -9.1857 -9.1857 -4.6364 -4.6364 -4.6364 -4.6364 -4.3569 -4.3569 -4.3569 -4.3569 -4.0631 -4.0631 -4.0631 -4.0631 -3.7829 -3.7829 -3.7829 -3.7829 -3.5299 -3.5299 -3.5299 -3.5299 -3.3355 -3.3355 -3.3355 -3.3355 4.7638 4.7638 4.7638 4.7638 5.1601 5.1601 5.1601 5.1601 k = 0.1806 0.3283 0.3103 ( 25404 PWs) bands (ev): -46.0649 -46.0649 -46.0649 -46.0649 -46.0639 -46.0639 -46.0639 -46.0639 -9.5946 -9.5946 -9.5946 -9.5946 -9.1877 -9.1877 -9.1877 -9.1877 -4.6080 -4.6080 -4.6080 -4.6080 -4.3591 -4.3591 -4.3591 -4.3591 -4.0384 -4.0384 -4.0384 -4.0384 -3.7829 -3.7829 -3.7829 -3.7829 -3.5309 -3.5309 -3.5309 -3.5309 -3.3388 -3.3388 -3.3388 -3.3388 4.7594 4.7594 4.7594 4.7594 5.1529 5.1529 5.1529 5.1529 k = 0.1667 0.3283 0.3103 ( 25408 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.6054 -9.6054 -9.6054 -9.6054 -9.1898 -9.1898 -9.1898 -9.1898 -4.5799 -4.5799 -4.5799 -4.5799 -4.3640 -4.3640 -4.3640 -4.3640 -4.0109 -4.0109 -4.0109 -4.0109 -3.7818 -3.7818 -3.7818 -3.7818 -3.5325 -3.5325 -3.5325 -3.5325 -3.3439 -3.3439 -3.3439 -3.3439 4.7540 4.7540 4.7540 4.7540 5.1434 5.1434 5.1434 5.1434 k = 0.1528 0.3283 0.3103 ( 25384 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.6154 -9.6154 -9.6154 -9.6154 -9.1919 -9.1919 -9.1919 -9.1919 -4.5527 -4.5527 -4.5527 -4.5527 -4.3706 -4.3706 -4.3706 -4.3706 -3.9820 -3.9820 -3.9820 -3.9820 -3.7797 -3.7797 -3.7797 -3.7797 -3.5348 -3.5348 -3.5348 -3.5348 -3.3507 -3.3507 -3.3507 -3.3507 4.7475 4.7475 4.7475 4.7475 5.1318 5.1318 5.1318 5.1318 k = 0.1389 0.3283 0.3103 ( 25384 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.6247 -9.6247 -9.6247 -9.6247 -9.1940 -9.1940 -9.1940 -9.1940 -4.5265 -4.5265 -4.5265 -4.5265 -4.3779 -4.3779 -4.3779 -4.3779 -3.9526 -3.9526 -3.9526 -3.9526 -3.7764 -3.7764 -3.7764 -3.7764 -3.5378 -3.5378 -3.5378 -3.5378 -3.3588 -3.3588 -3.3588 -3.3588 4.7401 4.7401 4.7401 4.7401 5.1184 5.1184 5.1184 5.1184 k = 0.1250 0.3283 0.3103 ( 25400 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.6332 -9.6332 -9.6332 -9.6332 -9.1960 -9.1960 -9.1960 -9.1960 -4.5018 -4.5018 -4.5018 -4.5018 -4.3855 -4.3855 -4.3855 -4.3855 -3.9234 -3.9234 -3.9234 -3.9234 -3.7720 -3.7720 -3.7720 -3.7720 -3.5415 -3.5415 -3.5415 -3.5415 -3.3683 -3.3683 -3.3683 -3.3683 4.7319 4.7319 4.7319 4.7319 5.1035 5.1035 5.1035 5.1035 k = 0.1111 0.3283 0.3103 ( 25396 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.6408 -9.6408 -9.6408 -9.6408 -9.1979 -9.1979 -9.1979 -9.1979 -4.4787 -4.4787 -4.4787 -4.4787 -4.3929 -4.3929 -4.3929 -4.3929 -3.8951 -3.8951 -3.8951 -3.8951 -3.7666 -3.7666 -3.7666 -3.7666 -3.5458 -3.5458 -3.5458 -3.5458 -3.3788 -3.3788 -3.3788 -3.3788 4.7234 4.7234 4.7234 4.7234 5.0878 5.0878 5.0878 5.0878 k = 0.0972 0.3283 0.3103 ( 25396 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0639 -46.0639 -46.0639 -46.0639 -9.6476 -9.6476 -9.6476 -9.6476 -9.1997 -9.1997 -9.1997 -9.1997 -4.4578 -4.4578 -4.4578 -4.4578 -4.3998 -4.3998 -4.3998 -4.3998 -3.8682 -3.8682 -3.8682 -3.8682 -3.7602 -3.7602 -3.7602 -3.7602 -3.5508 -3.5508 -3.5508 -3.5508 -3.3900 -3.3900 -3.3900 -3.3900 4.7148 4.7148 4.7148 4.7148 5.0717 5.0717 5.0717 5.0717 k = 0.0833 0.3283 0.3103 ( 25396 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.6536 -9.6536 -9.6536 -9.6536 -9.2014 -9.2014 -9.2014 -9.2014 -4.4390 -4.4390 -4.4390 -4.4390 -4.4060 -4.4060 -4.4060 -4.4060 -3.8431 -3.8431 -3.8431 -3.8431 -3.7532 -3.7532 -3.7532 -3.7532 -3.5562 -3.5562 -3.5562 -3.5562 -3.4015 -3.4015 -3.4015 -3.4015 4.7064 4.7064 4.7064 4.7064 5.0561 5.0561 5.0561 5.0561 k = 0.0694 0.3283 0.3103 ( 25412 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.6587 -9.6587 -9.6587 -9.6587 -9.2028 -9.2028 -9.2028 -9.2028 -4.4229 -4.4229 -4.4229 -4.4229 -4.4115 -4.4115 -4.4115 -4.4115 -3.8202 -3.8202 -3.8202 -3.8202 -3.7458 -3.7458 -3.7458 -3.7458 -3.5620 -3.5620 -3.5620 -3.5620 -3.4129 -3.4129 -3.4129 -3.4129 4.6986 4.6986 4.6986 4.6986 5.0415 5.0415 5.0415 5.0415 k = 0.0556 0.3283 0.3103 ( 25416 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.6628 -9.6628 -9.6628 -9.6628 -9.2040 -9.2040 -9.2040 -9.2040 -4.4161 -4.4161 -4.4161 -4.4161 -4.4094 -4.4094 -4.4094 -4.4094 -3.8001 -3.8001 -3.8001 -3.8001 -3.7385 -3.7385 -3.7385 -3.7385 -3.5679 -3.5679 -3.5679 -3.5679 -3.4236 -3.4236 -3.4236 -3.4236 4.6918 4.6918 4.6918 4.6918 5.0286 5.0286 5.0286 5.0286 k = 0.0417 0.3283 0.3103 ( 25420 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.6661 -9.6661 -9.6661 -9.6661 -9.2050 -9.2050 -9.2050 -9.2050 -4.4198 -4.4198 -4.4198 -4.4198 -4.3988 -4.3988 -4.3988 -4.3988 -3.7833 -3.7833 -3.7833 -3.7833 -3.7319 -3.7319 -3.7319 -3.7319 -3.5734 -3.5734 -3.5734 -3.5734 -3.4330 -3.4330 -3.4330 -3.4330 4.6862 4.6862 4.6862 4.6862 5.0179 5.0179 5.0179 5.0179 k = 0.0278 0.3283 0.3103 ( 25428 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.6684 -9.6684 -9.6684 -9.6684 -9.2057 -9.2057 -9.2057 -9.2057 -4.4224 -4.4224 -4.4224 -4.4224 -4.3911 -4.3911 -4.3911 -4.3911 -3.7705 -3.7705 -3.7705 -3.7705 -3.7265 -3.7265 -3.7265 -3.7265 -3.5781 -3.5781 -3.5781 -3.5781 -3.4404 -3.4404 -3.4404 -3.4404 4.6820 4.6820 4.6820 4.6820 5.0099 5.0099 5.0099 5.0099 k = 0.0139 0.3283 0.3103 ( 25424 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.6698 -9.6698 -9.6698 -9.6698 -9.2061 -9.2061 -9.2061 -9.2061 -4.4240 -4.4240 -4.4240 -4.4240 -4.3865 -4.3865 -4.3865 -4.3865 -3.7624 -3.7624 -3.7624 -3.7624 -3.7229 -3.7229 -3.7229 -3.7229 -3.5813 -3.5813 -3.5813 -3.5813 -3.4451 -3.4451 -3.4451 -3.4451 4.6794 4.6794 4.6794 4.6794 5.0050 5.0050 5.0050 5.0050 k = 0.0000 0.3283 0.3103 ( 25420 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.6703 -9.6703 -9.6703 -9.6703 -9.2063 -9.2063 -9.2063 -9.2063 -4.4245 -4.4245 -4.4245 -4.4245 -4.3850 -4.3850 -4.3850 -4.3850 -3.7596 -3.7596 -3.7596 -3.7596 -3.7217 -3.7217 -3.7217 -3.7217 -3.5824 -3.5824 -3.5824 -3.5824 -3.4467 -3.4467 -3.4467 -3.4467 4.6786 4.6786 4.6786 4.6786 5.0033 5.0033 5.0033 5.0033 k = 0.0000 0.3283 0.3103 ( 25420 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.6703 -9.6703 -9.6703 -9.6703 -9.2063 -9.2063 -9.2063 -9.2063 -4.4245 -4.4245 -4.4245 -4.4245 -4.3850 -4.3850 -4.3850 -4.3850 -3.7596 -3.7596 -3.7596 -3.7596 -3.7217 -3.7217 -3.7217 -3.7217 -3.5824 -3.5824 -3.5824 -3.5824 -3.4467 -3.4467 -3.4467 -3.4467 4.6786 4.6786 4.6786 4.6786 5.0033 5.0033 5.0033 5.0033 k = 0.0000 0.3146 0.3103 ( 25424 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.6708 -9.6708 -9.6708 -9.6708 -9.2056 -9.2056 -9.2056 -9.2056 -4.4297 -4.4297 -4.4297 -4.4297 -4.3802 -4.3802 -4.3802 -4.3802 -3.7600 -3.7600 -3.7600 -3.7600 -3.7233 -3.7233 -3.7233 -3.7233 -3.5808 -3.5808 -3.5808 -3.5808 -3.4463 -3.4463 -3.4463 -3.4463 4.6782 4.6782 4.6782 4.6782 5.0044 5.0044 5.0044 5.0044 k = 0.0000 0.3010 0.3103 ( 25430 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.6724 -9.6724 -9.6724 -9.6724 -9.2036 -9.2036 -9.2036 -9.2036 -4.4412 -4.4412 -4.4412 -4.4412 -4.3699 -4.3699 -4.3699 -4.3699 -3.7608 -3.7608 -3.7608 -3.7608 -3.7277 -3.7277 -3.7277 -3.7277 -3.5761 -3.5761 -3.5761 -3.5761 -3.4449 -3.4449 -3.4449 -3.4449 4.6770 4.6770 4.6770 4.6770 5.0074 5.0074 5.0074 5.0074 k = 0.0000 0.2873 0.3103 ( 25440 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.6749 -9.6749 -9.6749 -9.6749 -9.2003 -9.2003 -9.2003 -9.2003 -4.4549 -4.4549 -4.4549 -4.4549 -4.3583 -4.3583 -4.3583 -4.3583 -3.7622 -3.7622 -3.7622 -3.7622 -3.7344 -3.7344 -3.7344 -3.7344 -3.5689 -3.5689 -3.5689 -3.5689 -3.4426 -3.4426 -3.4426 -3.4426 4.6751 4.6751 4.6751 4.6751 5.0123 5.0123 5.0123 5.0123 k = 0.0000 0.2736 0.3103 ( 25440 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.6782 -9.6782 -9.6782 -9.6782 -9.1958 -9.1958 -9.1958 -9.1958 -4.4694 -4.4694 -4.4694 -4.4694 -4.3469 -4.3469 -4.3469 -4.3469 -3.7637 -3.7637 -3.7637 -3.7637 -3.7427 -3.7427 -3.7427 -3.7427 -3.5599 -3.5599 -3.5599 -3.5599 -3.4398 -3.4398 -3.4398 -3.4398 4.6727 4.6727 4.6727 4.6727 5.0185 5.0185 5.0185 5.0185 k = 0.0000 0.2599 0.3103 ( 25462 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.6824 -9.6824 -9.6824 -9.6824 -9.1902 -9.1902 -9.1902 -9.1902 -4.4840 -4.4840 -4.4840 -4.4840 -4.3363 -4.3363 -4.3363 -4.3363 -3.7651 -3.7651 -3.7651 -3.7651 -3.7522 -3.7522 -3.7522 -3.7522 -3.5496 -3.5496 -3.5496 -3.5496 -3.4364 -3.4364 -3.4364 -3.4364 4.6699 4.6699 4.6699 4.6699 5.0257 5.0257 5.0257 5.0257 k = 0.0000 0.2462 0.3103 ( 25454 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.6872 -9.6872 -9.6872 -9.6872 -9.1838 -9.1838 -9.1838 -9.1838 -4.4986 -4.4986 -4.4986 -4.4986 -4.3268 -4.3268 -4.3268 -4.3268 -3.7663 -3.7663 -3.7663 -3.7663 -3.7623 -3.7623 -3.7623 -3.7623 -3.5385 -3.5385 -3.5385 -3.5385 -3.4327 -3.4327 -3.4327 -3.4327 4.6669 4.6669 4.6669 4.6669 5.0333 5.0333 5.0333 5.0333 k = 0.0000 0.2326 0.3103 ( 25470 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.6926 -9.6926 -9.6926 -9.6926 -9.1765 -9.1765 -9.1765 -9.1765 -4.5129 -4.5129 -4.5129 -4.5129 -4.3187 -4.3187 -4.3187 -4.3187 -3.7728 -3.7728 -3.7728 -3.7728 -3.7666 -3.7666 -3.7666 -3.7666 -3.5269 -3.5269 -3.5269 -3.5269 -3.4290 -3.4290 -3.4290 -3.4290 4.6639 4.6639 4.6639 4.6639 5.0406 5.0406 5.0406 5.0406 k = 0.0000 0.2189 0.3103 ( 25450 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.6984 -9.6984 -9.6984 -9.6984 -9.1687 -9.1687 -9.1687 -9.1687 -4.5268 -4.5268 -4.5268 -4.5268 -4.3121 -4.3121 -4.3121 -4.3121 -3.7833 -3.7833 -3.7833 -3.7833 -3.7661 -3.7661 -3.7661 -3.7661 -3.5152 -3.5152 -3.5152 -3.5152 -3.4253 -3.4253 -3.4253 -3.4253 4.6609 4.6609 4.6609 4.6609 5.0470 5.0470 5.0470 5.0470 k = 0.0000 0.2052 0.3103 ( 25444 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7044 -9.7044 -9.7044 -9.7044 -9.1604 -9.1604 -9.1604 -9.1604 -4.5402 -4.5402 -4.5402 -4.5402 -4.3072 -4.3072 -4.3072 -4.3072 -3.7937 -3.7937 -3.7937 -3.7937 -3.7645 -3.7645 -3.7645 -3.7645 -3.5034 -3.5034 -3.5034 -3.5034 -3.4219 -3.4219 -3.4219 -3.4219 4.6581 4.6581 4.6581 4.6581 5.0518 5.0518 5.0518 5.0518 k = 0.0000 0.1915 0.3103 ( 25464 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7106 -9.7106 -9.7106 -9.7106 -9.1518 -9.1518 -9.1518 -9.1518 -4.5530 -4.5530 -4.5530 -4.5530 -4.3038 -4.3038 -4.3038 -4.3038 -3.8038 -3.8038 -3.8038 -3.8038 -3.7616 -3.7616 -3.7616 -3.7616 -3.4919 -3.4919 -3.4919 -3.4919 -3.4189 -3.4189 -3.4189 -3.4189 4.6556 4.6556 4.6556 4.6556 5.0544 5.0544 5.0544 5.0544 k = 0.0000 0.1778 0.3103 ( 25470 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7168 -9.7168 -9.7168 -9.7168 -9.1431 -9.1431 -9.1431 -9.1431 -4.5652 -4.5652 -4.5652 -4.5652 -4.3020 -4.3020 -4.3020 -4.3020 -3.8136 -3.8136 -3.8136 -3.8136 -3.7575 -3.7575 -3.7575 -3.7575 -3.4807 -3.4807 -3.4807 -3.4807 -3.4164 -3.4164 -3.4164 -3.4164 4.6533 4.6533 4.6533 4.6533 5.0544 5.0544 5.0544 5.0544 k = 0.0000 0.1642 0.3103 ( 25462 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7230 -9.7230 -9.7230 -9.7230 -9.1344 -9.1344 -9.1344 -9.1344 -4.5766 -4.5766 -4.5766 -4.5766 -4.3017 -4.3017 -4.3017 -4.3017 -3.8229 -3.8229 -3.8229 -3.8229 -3.7521 -3.7521 -3.7521 -3.7521 -3.4699 -3.4699 -3.4699 -3.4699 -3.4145 -3.4145 -3.4145 -3.4145 4.6514 4.6514 4.6514 4.6514 5.0517 5.0517 5.0517 5.0517 k = 0.0000 0.1505 0.3103 ( 25478 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7290 -9.7290 -9.7290 -9.7290 -9.1259 -9.1259 -9.1259 -9.1259 -4.5873 -4.5873 -4.5873 -4.5873 -4.3026 -4.3026 -4.3026 -4.3026 -3.8316 -3.8316 -3.8316 -3.8316 -3.7456 -3.7456 -3.7456 -3.7456 -3.4596 -3.4596 -3.4596 -3.4596 -3.4133 -3.4133 -3.4133 -3.4133 4.6497 4.6497 4.6497 4.6497 5.0463 5.0463 5.0463 5.0463 k = 0.0000 0.1368 0.3103 ( 25462 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7347 -9.7347 -9.7347 -9.7347 -9.1177 -9.1177 -9.1177 -9.1177 -4.5972 -4.5972 -4.5972 -4.5972 -4.3046 -4.3046 -4.3046 -4.3046 -3.8398 -3.8398 -3.8398 -3.8398 -3.7381 -3.7381 -3.7381 -3.7381 -3.4500 -3.4500 -3.4500 -3.4500 -3.4126 -3.4126 -3.4126 -3.4126 4.6484 4.6484 4.6484 4.6484 5.0387 5.0387 5.0387 5.0387 k = 0.0000 0.1231 0.3103 ( 25460 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7401 -9.7401 -9.7401 -9.7401 -9.1099 -9.1099 -9.1099 -9.1099 -4.6062 -4.6062 -4.6062 -4.6062 -4.3074 -4.3074 -4.3074 -4.3074 -3.8473 -3.8473 -3.8473 -3.8473 -3.7300 -3.7300 -3.7300 -3.7300 -3.4410 -3.4410 -3.4410 -3.4410 -3.4126 -3.4126 -3.4126 -3.4126 4.6473 4.6473 4.6473 4.6473 5.0293 5.0293 5.0293 5.0293 k = 0.0000 0.1094 0.3103 ( 25470 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7451 -9.7451 -9.7451 -9.7451 -9.1026 -9.1026 -9.1026 -9.1026 -4.6143 -4.6143 -4.6143 -4.6143 -4.3107 -4.3107 -4.3107 -4.3107 -3.8542 -3.8542 -3.8542 -3.8542 -3.7215 -3.7215 -3.7215 -3.7215 -3.4328 -3.4328 -3.4328 -3.4328 -3.4132 -3.4132 -3.4132 -3.4132 4.6465 4.6465 4.6465 4.6465 5.0190 5.0190 5.0190 5.0190 k = 0.0000 0.0958 0.3103 ( 25476 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7497 -9.7497 -9.7497 -9.7497 -9.0959 -9.0959 -9.0959 -9.0959 -4.6216 -4.6216 -4.6216 -4.6216 -4.3143 -4.3143 -4.3143 -4.3143 -3.8603 -3.8603 -3.8603 -3.8603 -3.7128 -3.7128 -3.7128 -3.7128 -3.4255 -3.4255 -3.4255 -3.4255 -3.4142 -3.4142 -3.4142 -3.4142 4.6459 4.6459 4.6459 4.6459 5.0083 5.0083 5.0083 5.0083 k = 0.0000 0.0821 0.3103 ( 25486 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7537 -9.7537 -9.7537 -9.7537 -9.0900 -9.0900 -9.0900 -9.0900 -4.6279 -4.6279 -4.6279 -4.6279 -4.3179 -4.3179 -4.3179 -4.3179 -3.8656 -3.8656 -3.8656 -3.8656 -3.7044 -3.7044 -3.7044 -3.7044 -3.4190 -3.4190 -3.4190 -3.4190 -3.4156 -3.4156 -3.4156 -3.4156 4.6455 4.6455 4.6455 4.6455 4.9978 4.9978 4.9978 4.9978 k = 0.0000 0.0684 0.3103 ( 25472 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7572 -9.7572 -9.7572 -9.7572 -9.0848 -9.0848 -9.0848 -9.0848 -4.6332 -4.6332 -4.6332 -4.6332 -4.3213 -4.3213 -4.3213 -4.3213 -3.8702 -3.8702 -3.8702 -3.8702 -3.6965 -3.6965 -3.6965 -3.6965 -3.4173 -3.4173 -3.4173 -3.4173 -3.4134 -3.4134 -3.4134 -3.4134 4.6452 4.6452 4.6452 4.6452 4.9882 4.9882 4.9882 4.9882 k = 0.0000 0.0547 0.3103 ( 25496 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7601 -9.7601 -9.7601 -9.7601 -9.0805 -9.0805 -9.0805 -9.0805 -4.6376 -4.6376 -4.6376 -4.6376 -4.3244 -4.3244 -4.3244 -4.3244 -3.8740 -3.8740 -3.8740 -3.8740 -3.6895 -3.6895 -3.6895 -3.6895 -3.4190 -3.4190 -3.4190 -3.4190 -3.4088 -3.4088 -3.4088 -3.4088 4.6450 4.6450 4.6450 4.6450 4.9798 4.9798 4.9798 4.9798 k = 0.0000 0.0410 0.3103 ( 25498 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7624 -9.7624 -9.7624 -9.7624 -9.0771 -9.0771 -9.0771 -9.0771 -4.6411 -4.6411 -4.6411 -4.6411 -4.3270 -4.3270 -4.3270 -4.3270 -3.8769 -3.8769 -3.8769 -3.8769 -3.6836 -3.6836 -3.6836 -3.6836 -3.4206 -3.4206 -3.4206 -3.4206 -3.4052 -3.4052 -3.4052 -3.4052 4.6449 4.6449 4.6449 4.6449 4.9729 4.9729 4.9729 4.9729 k = 0.0000 0.0274 0.3103 ( 25504 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7640 -9.7640 -9.7640 -9.7640 -9.0746 -9.0746 -9.0746 -9.0746 -4.6435 -4.6435 -4.6435 -4.6435 -4.3289 -4.3289 -4.3289 -4.3289 -3.8791 -3.8791 -3.8791 -3.8791 -3.6792 -3.6792 -3.6792 -3.6792 -3.4218 -3.4218 -3.4218 -3.4218 -3.4026 -3.4026 -3.4026 -3.4026 4.6448 4.6448 4.6448 4.6448 4.9678 4.9678 4.9678 4.9678 k = 0.0000 0.0137 0.3103 ( 25490 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7650 -9.7650 -9.7650 -9.7650 -9.0731 -9.0731 -9.0731 -9.0731 -4.6450 -4.6450 -4.6450 -4.6450 -4.3301 -4.3301 -4.3301 -4.3301 -3.8803 -3.8803 -3.8803 -3.8803 -3.6765 -3.6765 -3.6765 -3.6765 -3.4226 -3.4226 -3.4226 -3.4226 -3.4010 -3.4010 -3.4010 -3.4010 4.6448 4.6448 4.6448 4.6448 4.9647 4.9647 4.9647 4.9647 k = 0.0000 0.0000 0.3103 ( 25480 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7653 -9.7653 -9.7653 -9.7653 -9.0726 -9.0726 -9.0726 -9.0726 -4.6455 -4.6455 -4.6455 -4.6455 -4.3305 -4.3305 -4.3305 -4.3305 -3.8808 -3.8808 -3.8808 -3.8808 -3.6756 -3.6756 -3.6756 -3.6756 -3.4229 -3.4229 -3.4229 -3.4229 -3.4005 -3.4005 -3.4005 -3.4005 4.6448 4.6448 4.6448 4.6448 4.9637 4.9637 4.9637 4.9637 k = 0.0000 0.3283-0.0000 ( 25490 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7432 -9.7432 -9.7432 -9.7432 -9.0971 -9.0971 -9.0971 -9.0971 -4.9160 -4.9160 -4.9160 -4.9160 -3.8770 -3.8770 -3.8770 -3.8770 -3.8116 -3.8116 -3.8116 -3.8116 -3.7996 -3.7996 -3.7996 -3.7996 -3.4826 -3.4826 -3.4826 -3.4826 -3.4475 -3.4475 -3.4475 -3.4475 4.5407 4.5407 4.5407 4.5407 5.2806 5.2806 5.2806 5.2806 k = 0.0000 0.3283 0.0141 ( 25502 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7428 -9.7428 -9.7428 -9.7428 -9.0976 -9.0976 -9.0976 -9.0976 -4.9147 -4.9147 -4.9147 -4.9147 -3.8783 -3.8783 -3.8783 -3.8783 -3.8112 -3.8112 -3.8112 -3.8112 -3.7996 -3.7996 -3.7996 -3.7996 -3.4829 -3.4829 -3.4829 -3.4829 -3.4473 -3.4473 -3.4473 -3.4473 4.5409 4.5409 4.5409 4.5409 5.2818 5.2818 5.2818 5.2818 k = 0.0000 0.3283 0.0282 ( 25482 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7419 -9.7419 -9.7419 -9.7419 -9.0991 -9.0991 -9.0991 -9.0991 -4.9107 -4.9107 -4.9107 -4.9107 -3.8824 -3.8824 -3.8824 -3.8824 -3.8103 -3.8103 -3.8103 -3.8103 -3.7996 -3.7996 -3.7996 -3.7996 -3.4841 -3.4841 -3.4841 -3.4841 -3.4469 -3.4469 -3.4469 -3.4469 4.5415 4.5415 4.5415 4.5415 5.2851 5.2851 5.2851 5.2851 k = 0.0000 0.3283 0.0423 ( 25488 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7404 -9.7404 -9.7404 -9.7404 -9.1015 -9.1015 -9.1015 -9.1015 -4.9041 -4.9041 -4.9041 -4.9041 -3.8893 -3.8893 -3.8893 -3.8893 -3.8087 -3.8087 -3.8087 -3.8087 -3.7993 -3.7993 -3.7993 -3.7993 -3.4859 -3.4859 -3.4859 -3.4859 -3.4463 -3.4463 -3.4463 -3.4463 4.5426 4.5426 4.5426 4.5426 5.2907 5.2907 5.2907 5.2907 k = 0.0000 0.3283 0.0564 ( 25470 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7382 -9.7382 -9.7382 -9.7382 -9.1049 -9.1049 -9.1049 -9.1049 -4.8949 -4.8949 -4.8949 -4.8949 -3.8991 -3.8991 -3.8991 -3.8991 -3.8065 -3.8065 -3.8065 -3.8065 -3.7987 -3.7987 -3.7987 -3.7987 -3.4884 -3.4884 -3.4884 -3.4884 -3.4454 -3.4454 -3.4454 -3.4454 4.5441 4.5441 4.5441 4.5441 5.2984 5.2984 5.2984 5.2984 k = 0.0000 0.3283 0.0705 ( 25466 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7355 -9.7355 -9.7355 -9.7355 -9.1092 -9.1092 -9.1092 -9.1092 -4.8831 -4.8831 -4.8831 -4.8831 -3.9116 -3.9116 -3.9116 -3.9116 -3.8037 -3.8037 -3.8037 -3.8037 -3.7978 -3.7978 -3.7978 -3.7978 -3.4917 -3.4917 -3.4917 -3.4917 -3.4445 -3.4445 -3.4445 -3.4445 4.5461 4.5461 4.5461 4.5461 5.3083 5.3083 5.3083 5.3083 k = 0.0000 0.3283 0.0846 ( 25468 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7323 -9.7323 -9.7323 -9.7323 -9.1143 -9.1143 -9.1143 -9.1143 -4.8689 -4.8689 -4.8689 -4.8689 -3.9269 -3.9269 -3.9269 -3.9269 -3.8003 -3.8003 -3.8003 -3.8003 -3.7963 -3.7963 -3.7963 -3.7963 -3.4956 -3.4956 -3.4956 -3.4956 -3.4436 -3.4436 -3.4436 -3.4436 4.5487 4.5487 4.5487 4.5487 5.3200 5.3200 5.3200 5.3200 k = 0.0000 0.3283 0.0987 ( 25462 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7286 -9.7286 -9.7286 -9.7286 -9.1201 -9.1201 -9.1201 -9.1201 -4.8524 -4.8524 -4.8524 -4.8524 -3.9447 -3.9447 -3.9447 -3.9447 -3.7965 -3.7965 -3.7965 -3.7965 -3.7944 -3.7944 -3.7944 -3.7944 -3.5001 -3.5001 -3.5001 -3.5001 -3.4428 -3.4428 -3.4428 -3.4428 4.5519 4.5519 4.5519 4.5519 5.3330 5.3330 5.3330 5.3330 k = 0.0000 0.3283 0.1128 ( 25454 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7244 -9.7244 -9.7244 -9.7244 -9.1266 -9.1266 -9.1266 -9.1266 -4.8335 -4.8335 -4.8335 -4.8335 -3.9650 -3.9650 -3.9650 -3.9650 -3.7927 -3.7927 -3.7927 -3.7927 -3.7915 -3.7915 -3.7915 -3.7915 -3.5052 -3.5052 -3.5052 -3.5052 -3.4420 -3.4420 -3.4420 -3.4420 4.5559 4.5559 4.5559 4.5559 5.3461 5.3461 5.3461 5.3461 k = 0.0000 0.3283 0.1269 ( 25418 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7199 -9.7199 -9.7199 -9.7199 -9.1335 -9.1335 -9.1335 -9.1335 -4.8125 -4.8125 -4.8125 -4.8125 -3.9874 -3.9874 -3.9874 -3.9874 -3.7898 -3.7898 -3.7898 -3.7898 -3.7868 -3.7868 -3.7868 -3.7868 -3.5108 -3.5108 -3.5108 -3.5108 -3.4415 -3.4415 -3.4415 -3.4415 4.5607 4.5607 4.5607 4.5607 5.3565 5.3565 5.3565 5.3565 k = 0.0000 0.3283 0.1410 ( 25428 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7151 -9.7151 -9.7151 -9.7151 -9.1409 -9.1409 -9.1409 -9.1409 -4.7894 -4.7894 -4.7894 -4.7894 -4.0119 -4.0119 -4.0119 -4.0119 -3.7870 -3.7870 -3.7870 -3.7870 -3.7815 -3.7815 -3.7815 -3.7815 -3.5169 -3.5169 -3.5169 -3.5169 -3.4412 -3.4412 -3.4412 -3.4412 4.5665 4.5665 4.5665 4.5665 5.3580 5.3580 5.3580 5.3580 k = 0.0000 0.3283 0.1551 ( 25410 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7100 -9.7100 -9.7100 -9.7100 -9.1485 -9.1485 -9.1485 -9.1485 -4.7644 -4.7644 -4.7644 -4.7644 -4.0383 -4.0383 -4.0383 -4.0383 -3.7839 -3.7839 -3.7839 -3.7839 -3.7758 -3.7758 -3.7758 -3.7758 -3.5233 -3.5233 -3.5233 -3.5233 -3.4412 -3.4412 -3.4412 -3.4412 4.5732 4.5732 4.5732 4.5732 5.3433 5.3433 5.3433 5.3433 k = 0.0000 0.3283 0.1692 ( 25410 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.7049 -9.7049 -9.7049 -9.7049 -9.1563 -9.1563 -9.1563 -9.1563 -4.7377 -4.7377 -4.7377 -4.7377 -4.0663 -4.0663 -4.0663 -4.0663 -3.7808 -3.7808 -3.7808 -3.7808 -3.7697 -3.7697 -3.7697 -3.7697 -3.5301 -3.5301 -3.5301 -3.5301 -3.4413 -3.4413 -3.4413 -3.4413 4.5811 4.5811 4.5811 4.5811 5.3123 5.3123 5.3123 5.3123 k = 0.0000 0.3283 0.1833 ( 25414 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.6997 -9.6997 -9.6997 -9.6997 -9.1640 -9.1640 -9.1640 -9.1640 -4.7093 -4.7093 -4.7093 -4.7093 -4.0958 -4.0958 -4.0958 -4.0958 -3.7776 -3.7776 -3.7776 -3.7776 -3.7634 -3.7634 -3.7634 -3.7634 -3.5371 -3.5371 -3.5371 -3.5371 -3.4417 -3.4417 -3.4417 -3.4417 4.5900 4.5900 4.5900 4.5900 5.2726 5.2726 5.2726 5.2726 k = 0.0000 0.3283 0.1974 ( 25426 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.6945 -9.6945 -9.6945 -9.6945 -9.1716 -9.1716 -9.1716 -9.1716 -4.6794 -4.6794 -4.6794 -4.6794 -4.1267 -4.1267 -4.1267 -4.1267 -3.7744 -3.7744 -3.7744 -3.7744 -3.7570 -3.7570 -3.7570 -3.7570 -3.5442 -3.5442 -3.5442 -3.5442 -3.4423 -3.4423 -3.4423 -3.4423 4.6001 4.6001 4.6001 4.6001 5.2297 5.2297 5.2297 5.2297 k = 0.0000 0.3283 0.2115 ( 25422 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.6896 -9.6896 -9.6896 -9.6896 -9.1787 -9.1787 -9.1787 -9.1787 -4.6483 -4.6483 -4.6483 -4.6483 -4.1587 -4.1587 -4.1587 -4.1587 -3.7714 -3.7714 -3.7714 -3.7714 -3.7506 -3.7506 -3.7506 -3.7506 -3.5512 -3.5512 -3.5512 -3.5512 -3.4429 -3.4429 -3.4429 -3.4429 4.6113 4.6113 4.6113 4.6113 5.1868 5.1868 5.1868 5.1868 k = 0.0000 0.3283 0.2256 ( 25416 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.6850 -9.6850 -9.6850 -9.6850 -9.1854 -9.1854 -9.1854 -9.1854 -4.6160 -4.6160 -4.6160 -4.6160 -4.1917 -4.1917 -4.1917 -4.1917 -3.7686 -3.7686 -3.7686 -3.7686 -3.7443 -3.7443 -3.7443 -3.7443 -3.5581 -3.5581 -3.5581 -3.5581 -3.4437 -3.4437 -3.4437 -3.4437 4.6233 4.6233 4.6233 4.6233 5.1456 5.1456 5.1456 5.1456 k = 0.0000 0.3283 0.2397 ( 25414 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.6808 -9.6808 -9.6808 -9.6808 -9.1914 -9.1914 -9.1914 -9.1914 -4.5827 -4.5827 -4.5827 -4.5827 -4.2256 -4.2256 -4.2256 -4.2256 -3.7660 -3.7660 -3.7660 -3.7660 -3.7384 -3.7384 -3.7384 -3.7384 -3.5645 -3.5645 -3.5645 -3.5645 -3.4445 -3.4445 -3.4445 -3.4445 4.6358 4.6358 4.6358 4.6358 5.1074 5.1074 5.1074 5.1074 k = 0.0000 0.3283 0.2538 ( 25414 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.6772 -9.6772 -9.6772 -9.6772 -9.1965 -9.1965 -9.1965 -9.1965 -4.5486 -4.5486 -4.5486 -4.5486 -4.2601 -4.2601 -4.2601 -4.2601 -3.7638 -3.7638 -3.7638 -3.7638 -3.7330 -3.7330 -3.7330 -3.7330 -3.5704 -3.5704 -3.5704 -3.5704 -3.4452 -3.4452 -3.4452 -3.4452 4.6483 4.6483 4.6483 4.6483 5.0733 5.0733 5.0733 5.0733 k = 0.0000 0.3283 0.2679 ( 25432 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.6743 -9.6743 -9.6743 -9.6743 -9.2007 -9.2007 -9.2007 -9.2007 -4.5141 -4.5141 -4.5141 -4.5141 -4.2950 -4.2950 -4.2950 -4.2950 -3.7620 -3.7620 -3.7620 -3.7620 -3.7283 -3.7283 -3.7283 -3.7283 -3.5754 -3.5754 -3.5754 -3.5754 -3.4458 -3.4458 -3.4458 -3.4458 4.6599 4.6599 4.6599 4.6599 5.0445 5.0445 5.0445 5.0445 k = 0.0000 0.3283 0.2820 ( 25440 PWs) bands (ev): -46.0651 -46.0651 -46.0651 -46.0651 -46.0638 -46.0638 -46.0638 -46.0638 -9.6721 -9.6721 -9.6721 -9.6721 -9.2038 -9.2038 -9.2038 -9.2038 -4.4794 -4.4794 -4.4794 -4.4794 -4.3299 -4.3299 -4.3299 -4.3299 -3.7607 -3.7607 -3.7607 -3.7607 -3.7248 -3.7248 -3.7248 -3.7248 -3.5792 -3.5792 -3.5792 -3.5792 -3.4463 -3.4463 -3.4463 -3.4463 4.6696 4.6696 4.6696 4.6696 5.0223 5.0223 5.0223 5.0223 k = 0.0000 0.3283 0.2961 ( 25422 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.6708 -9.6708 -9.6708 -9.6708 -9.2056 -9.2056 -9.2056 -9.2056 -4.4459 -4.4459 -4.4459 -4.4459 -4.3635 -4.3635 -4.3635 -4.3635 -3.7599 -3.7599 -3.7599 -3.7599 -3.7225 -3.7225 -3.7225 -3.7225 -3.5816 -3.5816 -3.5816 -3.5816 -3.4466 -3.4466 -3.4466 -3.4466 4.6762 4.6762 4.6762 4.6762 5.0082 5.0082 5.0082 5.0082 k = 0.0000 0.3283 0.3103 ( 25420 PWs) bands (ev): -46.0650 -46.0650 -46.0650 -46.0650 -46.0638 -46.0638 -46.0638 -46.0638 -9.6703 -9.6703 -9.6703 -9.6703 -9.2063 -9.2063 -9.2063 -9.2063 -4.4245 -4.4245 -4.4245 -4.4245 -4.3850 -4.3850 -4.3850 -4.3850 -3.7596 -3.7596 -3.7596 -3.7596 -3.7217 -3.7217 -3.7217 -3.7217 -3.5824 -3.5824 -3.5824 -3.5824 -3.4467 -3.4467 -3.4467 -3.4467 4.6786 4.6786 4.6786 4.6786 5.0033 5.0033 5.0033 5.0033 k = 0.5000-0.0000 0.3103 ( 25380 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2763 -9.2763 -9.2763 -9.2763 -9.2763 -9.2763 -9.2763 -9.2763 -4.6623 -4.6623 -4.6623 -4.6623 -4.6622 -4.6622 -4.6622 -4.6622 -4.0026 -4.0026 -4.0026 -4.0026 -4.0023 -4.0023 -4.0023 -4.0023 -3.6177 -3.6177 -3.6177 -3.6177 -3.6174 -3.6174 -3.6174 -3.6174 5.1755 5.1755 5.1755 5.1755 5.1755 5.1755 5.1755 5.1755 k = 0.5000-0.0000 0.2961 ( 25386 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2837 -9.2837 -9.2837 -9.2837 -9.2688 -9.2688 -9.2688 -9.2688 -4.6647 -4.6647 -4.6647 -4.6647 -4.6593 -4.6593 -4.6593 -4.6593 -4.0062 -4.0062 -4.0062 -4.0062 -3.9985 -3.9985 -3.9985 -3.9985 -3.6378 -3.6378 -3.6378 -3.6378 -3.5982 -3.5982 -3.5982 -3.5982 5.1737 5.1737 5.1737 5.1737 5.1776 5.1776 5.1776 5.1776 k = 0.5000-0.0000 0.2820 ( 25400 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2911 -9.2911 -9.2911 -9.2911 -9.2613 -9.2613 -9.2613 -9.2613 -4.6666 -4.6666 -4.6666 -4.6666 -4.6556 -4.6556 -4.6556 -4.6556 -4.0096 -4.0096 -4.0096 -4.0096 -3.9947 -3.9947 -3.9947 -3.9947 -3.6588 -3.6588 -3.6588 -3.6588 -3.5799 -3.5799 -3.5799 -3.5799 5.1715 5.1715 5.1715 5.1715 5.1807 5.1807 5.1807 5.1807 k = 0.5000-0.0000 0.2679 ( 25378 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0643 -46.0643 -46.0643 -46.0643 -9.2984 -9.2984 -9.2984 -9.2984 -9.2539 -9.2539 -9.2539 -9.2539 -4.6681 -4.6681 -4.6681 -4.6681 -4.6513 -4.6513 -4.6513 -4.6513 -4.0126 -4.0126 -4.0126 -4.0126 -3.9912 -3.9912 -3.9912 -3.9912 -3.6802 -3.6802 -3.6802 -3.6802 -3.5628 -3.5628 -3.5628 -3.5628 5.1681 5.1681 5.1681 5.1681 5.1851 5.1851 5.1851 5.1851 k = 0.5000-0.0000 0.2538 ( 25388 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0643 -46.0643 -46.0643 -46.0643 -9.3056 -9.3056 -9.3056 -9.3056 -9.2466 -9.2466 -9.2466 -9.2466 -4.6692 -4.6692 -4.6692 -4.6692 -4.6462 -4.6462 -4.6462 -4.6462 -4.0151 -4.0151 -4.0151 -4.0151 -3.9882 -3.9882 -3.9882 -3.9882 -3.7018 -3.7018 -3.7018 -3.7018 -3.5469 -3.5469 -3.5469 -3.5469 5.1626 5.1626 5.1626 5.1626 5.1914 5.1914 5.1914 5.1914 k = 0.5000-0.0000 0.2397 ( 25396 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0643 -46.0643 -46.0643 -46.0643 -9.3126 -9.3126 -9.3126 -9.3126 -9.2394 -9.2394 -9.2394 -9.2394 -4.6701 -4.6701 -4.6701 -4.6701 -4.6402 -4.6402 -4.6402 -4.6402 -4.0171 -4.0171 -4.0171 -4.0171 -3.9862 -3.9862 -3.9862 -3.9862 -3.7230 -3.7230 -3.7230 -3.7230 -3.5324 -3.5324 -3.5324 -3.5324 5.1544 5.1544 5.1544 5.1544 5.1997 5.1997 5.1997 5.1997 k = 0.5000-0.0000 0.2256 ( 25400 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0643 -46.0643 -46.0643 -46.0643 -9.3194 -9.3194 -9.3194 -9.3194 -9.2323 -9.2323 -9.2323 -9.2323 -4.6707 -4.6707 -4.6707 -4.6707 -4.6334 -4.6334 -4.6334 -4.6334 -4.0184 -4.0184 -4.0184 -4.0184 -3.9857 -3.9857 -3.9857 -3.9857 -3.7435 -3.7435 -3.7435 -3.7435 -3.5192 -3.5192 -3.5192 -3.5192 5.1430 5.1430 5.1430 5.1430 5.2103 5.2103 5.2103 5.2103 k = 0.5000-0.0000 0.2115 ( 25384 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0643 -46.0643 -46.0643 -46.0643 -9.3259 -9.3259 -9.3259 -9.3259 -9.2255 -9.2255 -9.2255 -9.2255 -4.6711 -4.6711 -4.6711 -4.6711 -4.6257 -4.6257 -4.6257 -4.6257 -4.0191 -4.0191 -4.0191 -4.0191 -3.9872 -3.9872 -3.9872 -3.9872 -3.7624 -3.7624 -3.7624 -3.7624 -3.5074 -3.5074 -3.5074 -3.5074 5.1281 5.1281 5.1281 5.1281 5.2231 5.2231 5.2231 5.2231 k = 0.5000-0.0000 0.1974 ( 25378 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0643 -46.0643 -46.0643 -46.0643 -9.3322 -9.3322 -9.3322 -9.3322 -9.2190 -9.2190 -9.2190 -9.2190 -4.6714 -4.6714 -4.6714 -4.6714 -4.6171 -4.6171 -4.6171 -4.6171 -4.0192 -4.0192 -4.0192 -4.0192 -3.9914 -3.9914 -3.9914 -3.9914 -3.7793 -3.7793 -3.7793 -3.7793 -3.4969 -3.4969 -3.4969 -3.4969 5.1098 5.1098 5.1098 5.1098 5.2381 5.2381 5.2381 5.2381 k = 0.5000-0.0000 0.1833 ( 25386 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0643 -46.0643 -46.0643 -46.0643 -9.3382 -9.3382 -9.3382 -9.3382 -9.2127 -9.2127 -9.2127 -9.2127 -4.6716 -4.6716 -4.6716 -4.6716 -4.6075 -4.6075 -4.6075 -4.6075 -4.0186 -4.0186 -4.0186 -4.0186 -3.9988 -3.9988 -3.9988 -3.9988 -3.7933 -3.7933 -3.7933 -3.7933 -3.4877 -3.4877 -3.4877 -3.4877 5.0886 5.0886 5.0886 5.0886 5.2554 5.2554 5.2554 5.2554 k = 0.5000-0.0000 0.1692 ( 25390 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0643 -46.0643 -46.0643 -46.0643 -9.3439 -9.3439 -9.3439 -9.3439 -9.2067 -9.2067 -9.2067 -9.2067 -4.6718 -4.6718 -4.6718 -4.6718 -4.5970 -4.5970 -4.5970 -4.5970 -4.0176 -4.0176 -4.0176 -4.0176 -4.0098 -4.0098 -4.0098 -4.0098 -3.8042 -3.8042 -3.8042 -3.8042 -3.4798 -3.4798 -3.4798 -3.4798 5.0652 5.0652 5.0652 5.0652 5.2745 5.2745 5.2745 5.2745 k = 0.5000-0.0000 0.1551 ( 25396 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0643 -46.0643 -46.0643 -46.0643 -9.3492 -9.3492 -9.3492 -9.3492 -9.2010 -9.2010 -9.2010 -9.2010 -4.6720 -4.6720 -4.6720 -4.6720 -4.5856 -4.5856 -4.5856 -4.5856 -4.0243 -4.0243 -4.0243 -4.0243 -4.0159 -4.0159 -4.0159 -4.0159 -3.8119 -3.8119 -3.8119 -3.8119 -3.4731 -3.4731 -3.4731 -3.4731 5.0405 5.0405 5.0405 5.0405 5.2953 5.2953 5.2953 5.2953 k = 0.5000-0.0000 0.1410 ( 25412 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0643 -46.0643 -46.0643 -46.0643 -9.3541 -9.3541 -9.3541 -9.3541 -9.1958 -9.1958 -9.1958 -9.1958 -4.6721 -4.6721 -4.6721 -4.6721 -4.5733 -4.5733 -4.5733 -4.5733 -4.0417 -4.0417 -4.0417 -4.0417 -4.0140 -4.0140 -4.0140 -4.0140 -3.8167 -3.8167 -3.8167 -3.8167 -3.4676 -3.4676 -3.4676 -3.4676 5.0152 5.0152 5.0152 5.0152 5.3174 5.3174 5.3174 5.3174 k = 0.5000-0.0000 0.1269 ( 25402 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0643 -46.0643 -46.0643 -46.0643 -9.3587 -9.3587 -9.3587 -9.3587 -9.1909 -9.1909 -9.1909 -9.1909 -4.6723 -4.6723 -4.6723 -4.6723 -4.5602 -4.5602 -4.5602 -4.5602 -4.0615 -4.0615 -4.0615 -4.0615 -4.0117 -4.0117 -4.0117 -4.0117 -3.8192 -3.8192 -3.8192 -3.8192 -3.4630 -3.4630 -3.4630 -3.4630 4.9902 4.9902 4.9902 4.9902 5.3403 5.3403 5.3403 5.3403 k = 0.5000-0.0000 0.1128 ( 25398 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3628 -9.3628 -9.3628 -9.3628 -9.1865 -9.1865 -9.1865 -9.1865 -4.6725 -4.6725 -4.6725 -4.6725 -4.5465 -4.5465 -4.5465 -4.5465 -4.0827 -4.0827 -4.0827 -4.0827 -4.0092 -4.0092 -4.0092 -4.0092 -3.8201 -3.8201 -3.8201 -3.8201 -3.4593 -3.4593 -3.4593 -3.4593 4.9662 4.9662 4.9662 4.9662 5.3635 5.3635 5.3635 5.3635 k = 0.5000-0.0000 0.0987 ( 25402 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3665 -9.3665 -9.3665 -9.3665 -9.1825 -9.1825 -9.1825 -9.1825 -4.6726 -4.6726 -4.6726 -4.6726 -4.5324 -4.5324 -4.5324 -4.5324 -4.1047 -4.1047 -4.1047 -4.1047 -4.0066 -4.0066 -4.0066 -4.0066 -3.8199 -3.8199 -3.8199 -3.8199 -3.4565 -3.4565 -3.4565 -3.4565 4.9437 4.9437 4.9437 4.9437 5.3865 5.3865 5.3865 5.3865 k = 0.5000-0.0000 0.0846 ( 25408 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3697 -9.3697 -9.3697 -9.3697 -9.1791 -9.1791 -9.1791 -9.1791 -4.6728 -4.6728 -4.6728 -4.6728 -4.5181 -4.5181 -4.5181 -4.5181 -4.1265 -4.1265 -4.1265 -4.1265 -4.0040 -4.0040 -4.0040 -4.0040 -3.8190 -3.8190 -3.8190 -3.8190 -3.4543 -3.4543 -3.4543 -3.4543 4.9233 4.9233 4.9233 4.9233 5.4084 5.4084 5.4084 5.4084 k = 0.5000-0.0000 0.0705 ( 25402 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3724 -9.3724 -9.3724 -9.3724 -9.1761 -9.1761 -9.1761 -9.1761 -4.6730 -4.6730 -4.6730 -4.6730 -4.5039 -4.5039 -4.5039 -4.5039 -4.1476 -4.1476 -4.1476 -4.1476 -4.0016 -4.0016 -4.0016 -4.0016 -3.8178 -3.8178 -3.8178 -3.8178 -3.4527 -3.4527 -3.4527 -3.4527 4.9055 4.9055 4.9055 4.9055 5.4287 5.4287 5.4287 5.4287 k = 0.5000-0.0000 0.0564 ( 25402 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3747 -9.3747 -9.3747 -9.3747 -9.1736 -9.1736 -9.1736 -9.1736 -4.6731 -4.6731 -4.6731 -4.6731 -4.4905 -4.4905 -4.4905 -4.4905 -4.1670 -4.1670 -4.1670 -4.1670 -3.9995 -3.9995 -3.9995 -3.9995 -3.8166 -3.8166 -3.8166 -3.8166 -3.4515 -3.4515 -3.4515 -3.4515 4.8904 4.8904 4.8904 4.8904 5.4467 5.4467 5.4467 5.4467 k = 0.5000-0.0000 0.0423 ( 25392 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3765 -9.3765 -9.3765 -9.3765 -9.1717 -9.1717 -9.1717 -9.1717 -4.6733 -4.6733 -4.6733 -4.6733 -4.4785 -4.4785 -4.4785 -4.4785 -4.1838 -4.1838 -4.1838 -4.1838 -3.9977 -3.9977 -3.9977 -3.9977 -3.8154 -3.8154 -3.8154 -3.8154 -3.4507 -3.4507 -3.4507 -3.4507 4.8785 4.8785 4.8785 4.8785 5.4615 5.4615 5.4615 5.4615 k = 0.5000-0.0000 0.0282 ( 25382 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3777 -9.3777 -9.3777 -9.3777 -9.1703 -9.1703 -9.1703 -9.1703 -4.6734 -4.6734 -4.6734 -4.6734 -4.4688 -4.4688 -4.4688 -4.4688 -4.1971 -4.1971 -4.1971 -4.1971 -3.9963 -3.9963 -3.9963 -3.9963 -3.8145 -3.8145 -3.8145 -3.8145 -3.4502 -3.4502 -3.4502 -3.4502 4.8698 4.8698 4.8698 4.8698 5.4726 5.4726 5.4726 5.4726 k = 0.5000-0.0000 0.0141 ( 25396 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3785 -9.3785 -9.3785 -9.3785 -9.1695 -9.1695 -9.1695 -9.1695 -4.6734 -4.6734 -4.6734 -4.6734 -4.4624 -4.4624 -4.4624 -4.4624 -4.2056 -4.2056 -4.2056 -4.2056 -3.9955 -3.9955 -3.9955 -3.9955 -3.8139 -3.8139 -3.8139 -3.8139 -3.4499 -3.4499 -3.4499 -3.4499 4.8646 4.8646 4.8646 4.8646 5.4795 5.4795 5.4795 5.4795 k = 0.5000-0.0000-0.0000 ( 25392 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3788 -9.3788 -9.3788 -9.3788 -9.1692 -9.1692 -9.1692 -9.1692 -4.6734 -4.6734 -4.6734 -4.6734 -4.4602 -4.4602 -4.4602 -4.4602 -4.2086 -4.2086 -4.2086 -4.2086 -3.9952 -3.9952 -3.9952 -3.9952 -3.8137 -3.8137 -3.8137 -3.8137 -3.4498 -3.4498 -3.4498 -3.4498 4.8628 4.8628 4.8628 4.8628 5.4818 5.4818 5.4818 5.4818 k = 0.5000 0.3283-0.0000 ( 25352 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3420 -9.3420 -9.3420 -9.3420 -9.1958 -9.1958 -9.1958 -9.1958 -4.9138 -4.9138 -4.9138 -4.9138 -4.5046 -4.5046 -4.5046 -4.5046 -4.1776 -4.1776 -4.1776 -4.1776 -4.1653 -4.1653 -4.1653 -4.1653 -3.3889 -3.3889 -3.3889 -3.3889 -3.3546 -3.3546 -3.3546 -3.3546 5.0214 5.0214 5.0214 5.0214 5.5232 5.5232 5.5232 5.5232 k = 0.5000 0.3283 0.0141 ( 25360 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3418 -9.3418 -9.3418 -9.3418 -9.1959 -9.1959 -9.1959 -9.1959 -4.9143 -4.9143 -4.9143 -4.9143 -4.5076 -4.5076 -4.5076 -4.5076 -4.1758 -4.1758 -4.1758 -4.1758 -4.1621 -4.1621 -4.1621 -4.1621 -3.3894 -3.3894 -3.3894 -3.3894 -3.3553 -3.3553 -3.3553 -3.3553 5.0190 5.0190 5.0190 5.0190 5.5211 5.5211 5.5211 5.5211 k = 0.5000 0.3283 0.0282 ( 25368 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3412 -9.3412 -9.3412 -9.3412 -9.1965 -9.1965 -9.1965 -9.1965 -4.9159 -4.9159 -4.9159 -4.9159 -4.5163 -4.5163 -4.5163 -4.5163 -4.1706 -4.1706 -4.1706 -4.1706 -4.1530 -4.1530 -4.1530 -4.1530 -3.3909 -3.3909 -3.3909 -3.3909 -3.3572 -3.3572 -3.3572 -3.3572 5.0119 5.0119 5.0119 5.0119 5.5151 5.5151 5.5151 5.5151 k = 0.5000 0.3283 0.0423 ( 25364 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3403 -9.3403 -9.3403 -9.3403 -9.1974 -9.1974 -9.1974 -9.1974 -4.9184 -4.9184 -4.9184 -4.9184 -4.5299 -4.5299 -4.5299 -4.5299 -4.1620 -4.1620 -4.1620 -4.1620 -4.1387 -4.1387 -4.1387 -4.1387 -3.3934 -3.3934 -3.3934 -3.3934 -3.3604 -3.3604 -3.3604 -3.3604 5.0006 5.0006 5.0006 5.0006 5.5051 5.5051 5.5051 5.5051 k = 0.5000 0.3283 0.0564 ( 25384 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3390 -9.3390 -9.3390 -9.3390 -9.1986 -9.1986 -9.1986 -9.1986 -4.9216 -4.9216 -4.9216 -4.9216 -4.5471 -4.5471 -4.5471 -4.5471 -4.1503 -4.1503 -4.1503 -4.1503 -4.1204 -4.1204 -4.1204 -4.1204 -3.3970 -3.3970 -3.3970 -3.3970 -3.3649 -3.3649 -3.3649 -3.3649 4.9859 4.9859 4.9859 4.9859 5.4914 5.4914 5.4914 5.4914 k = 0.5000 0.3283 0.0705 ( 25404 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3373 -9.3373 -9.3373 -9.3373 -9.2003 -9.2003 -9.2003 -9.2003 -4.9255 -4.9255 -4.9255 -4.9255 -4.5671 -4.5671 -4.5671 -4.5671 -4.1357 -4.1357 -4.1357 -4.1357 -4.0991 -4.0991 -4.0991 -4.0991 -3.4017 -3.4017 -3.4017 -3.4017 -3.3707 -3.3707 -3.3707 -3.3707 4.9685 4.9685 4.9685 4.9685 5.4739 5.4739 5.4739 5.4739 k = 0.5000 0.3283 0.0846 ( 25416 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3353 -9.3353 -9.3353 -9.3353 -9.2022 -9.2022 -9.2022 -9.2022 -4.9297 -4.9297 -4.9297 -4.9297 -4.5889 -4.5889 -4.5889 -4.5889 -4.1183 -4.1183 -4.1183 -4.1183 -4.0756 -4.0756 -4.0756 -4.0756 -3.4074 -3.4074 -3.4074 -3.4074 -3.3777 -3.3777 -3.3777 -3.3777 4.9495 4.9495 4.9495 4.9495 5.4530 5.4530 5.4530 5.4530 k = 0.5000 0.3283 0.0987 ( 25424 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0642 -46.0642 -46.0642 -46.0642 -9.3329 -9.3329 -9.3329 -9.3329 -9.2045 -9.2045 -9.2045 -9.2045 -4.9341 -4.9341 -4.9341 -4.9341 -4.6119 -4.6119 -4.6119 -4.6119 -4.0986 -4.0986 -4.0986 -4.0986 -4.0505 -4.0505 -4.0505 -4.0505 -3.4143 -3.4143 -3.4143 -3.4143 -3.3859 -3.3859 -3.3859 -3.3859 4.9296 4.9296 4.9296 4.9296 5.4287 5.4287 5.4287 5.4287 k = 0.5000 0.3283 0.1128 ( 25420 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0643 -46.0643 -46.0643 -46.0643 -9.3302 -9.3302 -9.3302 -9.3302 -9.2071 -9.2071 -9.2071 -9.2071 -4.9385 -4.9385 -4.9385 -4.9385 -4.6355 -4.6355 -4.6355 -4.6355 -4.0767 -4.0767 -4.0767 -4.0767 -4.0245 -4.0245 -4.0245 -4.0245 -3.4222 -3.4222 -3.4222 -3.4222 -3.3953 -3.3953 -3.3953 -3.3953 4.9099 4.9099 4.9099 4.9099 5.4013 5.4013 5.4013 5.4013 k = 0.5000 0.3283 0.1269 ( 25424 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0643 -46.0643 -46.0643 -46.0643 -9.3272 -9.3272 -9.3272 -9.3272 -9.2101 -9.2101 -9.2101 -9.2101 -4.9426 -4.9426 -4.9426 -4.9426 -4.6594 -4.6594 -4.6594 -4.6594 -4.0531 -4.0531 -4.0531 -4.0531 -3.9978 -3.9978 -3.9978 -3.9978 -3.4313 -3.4313 -3.4313 -3.4313 -3.4058 -3.4058 -3.4058 -3.4058 4.8910 4.8910 4.8910 4.8910 5.3711 5.3711 5.3711 5.3711 k = 0.5000 0.3283 0.1410 ( 25424 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0643 -46.0643 -46.0643 -46.0643 -9.3239 -9.3239 -9.3239 -9.3239 -9.2133 -9.2133 -9.2133 -9.2133 -4.9462 -4.9462 -4.9462 -4.9462 -4.6832 -4.6832 -4.6832 -4.6832 -4.0280 -4.0280 -4.0280 -4.0280 -3.9707 -3.9707 -3.9707 -3.9707 -3.4416 -3.4416 -3.4416 -3.4416 -3.4175 -3.4175 -3.4175 -3.4175 4.8737 4.8737 4.8737 4.8737 5.3382 5.3382 5.3382 5.3382 k = 0.5000 0.3283 0.1551 ( 25444 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0643 -46.0643 -46.0643 -46.0643 -9.3203 -9.3203 -9.3203 -9.3203 -9.2168 -9.2168 -9.2168 -9.2168 -4.9491 -4.9491 -4.9491 -4.9491 -4.7068 -4.7068 -4.7068 -4.7068 -4.0016 -4.0016 -4.0016 -4.0016 -3.9435 -3.9435 -3.9435 -3.9435 -3.4531 -3.4531 -3.4531 -3.4531 -3.4301 -3.4301 -3.4301 -3.4301 4.8585 4.8585 4.8585 4.8585 5.3031 5.3031 5.3031 5.3031 k = 0.5000 0.3283 0.1692 ( 25460 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0643 -46.0643 -46.0643 -46.0643 -9.3165 -9.3165 -9.3165 -9.3165 -9.2206 -9.2206 -9.2206 -9.2206 -4.9512 -4.9512 -4.9512 -4.9512 -4.7298 -4.7298 -4.7298 -4.7298 -3.9743 -3.9743 -3.9743 -3.9743 -3.9164 -3.9164 -3.9164 -3.9164 -3.4657 -3.4657 -3.4657 -3.4657 -3.4438 -3.4438 -3.4438 -3.4438 4.8459 4.8459 4.8459 4.8459 5.2662 5.2662 5.2662 5.2662 k = 0.5000 0.3283 0.1833 ( 25436 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0643 -46.0643 -46.0643 -46.0643 -9.3124 -9.3124 -9.3124 -9.3124 -9.2246 -9.2246 -9.2246 -9.2246 -4.9524 -4.9524 -4.9524 -4.9524 -4.7522 -4.7522 -4.7522 -4.7522 -3.9464 -3.9464 -3.9464 -3.9464 -3.8895 -3.8895 -3.8895 -3.8895 -3.4795 -3.4795 -3.4795 -3.4795 -3.4585 -3.4585 -3.4585 -3.4585 4.8362 4.8362 4.8362 4.8362 5.2280 5.2280 5.2280 5.2280 k = 0.5000 0.3283 0.1974 ( 25440 PWs) bands (ev): -46.0645 -46.0645 -46.0645 -46.0645 -46.0643 -46.0643 -46.0643 -46.0643 -9.3080 -9.3080 -9.3080 -9.3080 -9.2288 -9.2288 -9.2288 -9.2288 -4.9525 -4.9525 -4.9525 -4.9525 -4.7738 -4.7738 -4.7738 -4.7738 -3.9181 -3.9181 -3.9181 -3.9181 -3.8631 -3.8631 -3.8631 -3.8631 -3.4943 -3.4943 -3.4943 -3.4943 -3.4740 -3.4740 -3.4740 -3.4740 4.8299 4.8299 4.8299 4.8299 5.1890 5.1890 5.1890 5.1890 k = 0.5000 0.3283 0.2115 ( 25428 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0643 -46.0643 -46.0643 -46.0643 -9.3035 -9.3035 -9.3035 -9.3035 -9.2333 -9.2333 -9.2333 -9.2333 -4.9514 -4.9514 -4.9514 -4.9514 -4.7945 -4.7945 -4.7945 -4.7945 -3.8896 -3.8896 -3.8896 -3.8896 -3.8372 -3.8372 -3.8372 -3.8372 -3.5102 -3.5102 -3.5102 -3.5102 -3.4903 -3.4903 -3.4903 -3.4903 4.8271 4.8271 4.8271 4.8271 5.1499 5.1499 5.1499 5.1499 k = 0.5000 0.3283 0.2256 ( 25436 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0643 -46.0643 -46.0643 -46.0643 -9.2988 -9.2988 -9.2988 -9.2988 -9.2379 -9.2379 -9.2379 -9.2379 -4.9491 -4.9491 -4.9491 -4.9491 -4.8141 -4.8141 -4.8141 -4.8141 -3.8614 -3.8614 -3.8614 -3.8614 -3.8122 -3.8122 -3.8122 -3.8122 -3.5269 -3.5269 -3.5269 -3.5269 -3.5072 -3.5072 -3.5072 -3.5072 4.8280 4.8280 4.8280 4.8280 5.1111 5.1111 5.1111 5.1111 k = 0.5000 0.3283 0.2397 ( 25420 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0643 -46.0643 -46.0643 -46.0643 -9.2939 -9.2939 -9.2939 -9.2939 -9.2427 -9.2427 -9.2427 -9.2427 -4.9455 -4.9455 -4.9455 -4.9455 -4.8327 -4.8327 -4.8327 -4.8327 -3.8336 -3.8336 -3.8336 -3.8336 -3.7884 -3.7884 -3.7884 -3.7884 -3.5441 -3.5441 -3.5441 -3.5441 -3.5245 -3.5245 -3.5245 -3.5245 4.8328 4.8328 4.8328 4.8328 5.0732 5.0732 5.0732 5.0732 k = 0.5000 0.3283 0.2538 ( 25420 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0643 -46.0643 -46.0643 -46.0643 -9.2890 -9.2890 -9.2890 -9.2890 -9.2477 -9.2477 -9.2477 -9.2477 -4.9405 -4.9405 -4.9405 -4.9405 -4.8500 -4.8500 -4.8500 -4.8500 -3.8068 -3.8068 -3.8068 -3.8068 -3.7663 -3.7663 -3.7663 -3.7663 -3.5613 -3.5613 -3.5613 -3.5613 -3.5421 -3.5421 -3.5421 -3.5421 4.8414 4.8414 4.8414 4.8414 5.0367 5.0367 5.0367 5.0367 k = 0.5000 0.3283 0.2679 ( 25412 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0643 -46.0643 -46.0643 -46.0643 -9.2839 -9.2839 -9.2839 -9.2839 -9.2527 -9.2527 -9.2527 -9.2527 -4.9341 -4.9341 -4.9341 -4.9341 -4.8661 -4.8661 -4.8661 -4.8661 -3.7815 -3.7815 -3.7815 -3.7815 -3.7469 -3.7469 -3.7469 -3.7469 -3.5776 -3.5776 -3.5776 -3.5776 -3.5595 -3.5595 -3.5595 -3.5595 4.8538 4.8538 4.8538 4.8538 5.0021 5.0021 5.0021 5.0021 k = 0.5000 0.3283 0.2820 ( 25404 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2787 -9.2787 -9.2787 -9.2787 -9.2578 -9.2578 -9.2578 -9.2578 -4.9263 -4.9263 -4.9263 -4.9263 -4.8809 -4.8809 -4.8809 -4.8809 -3.7586 -3.7586 -3.7586 -3.7586 -3.7321 -3.7321 -3.7321 -3.7321 -3.5910 -3.5910 -3.5910 -3.5910 -3.5757 -3.5757 -3.5757 -3.5757 4.8701 4.8701 4.8701 4.8701 4.9697 4.9697 4.9697 4.9697 k = 0.5000 0.3283 0.2961 ( 25400 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2735 -9.2735 -9.2735 -9.2735 -9.2630 -9.2630 -9.2630 -9.2630 -4.9171 -4.9171 -4.9171 -4.9171 -4.8944 -4.8944 -4.8944 -4.8944 -3.7397 -3.7397 -3.7397 -3.7397 -3.7247 -3.7247 -3.7247 -3.7247 -3.5987 -3.5987 -3.5987 -3.5987 -3.5894 -3.5894 -3.5894 -3.5894 4.8900 4.8900 4.8900 4.8900 4.9401 4.9401 4.9401 4.9401 k = 0.5000 0.3283 0.3103 ( 25408 PWs) bands (ev): -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -46.0644 -9.2683 -9.2683 -9.2683 -9.2683 -9.2683 -9.2683 -9.2683 -9.2683 -4.9064 -4.9064 -4.9064 -4.9064 -4.9064 -4.9064 -4.9064 -4.9064 -3.7275 -3.7275 -3.7275 -3.7275 -3.7273 -3.7273 -3.7273 -3.7273 -3.5982 -3.5982 -3.5982 -3.5982 -3.5979 -3.5979 -3.5979 -3.5979 4.9134 4.9134 4.9134 4.9134 4.9134 4.9134 4.9134 4.9134 Writing output data file LiBH4.save init_run : 0.76s CPU 0.52s WALL ( 1 calls) electrons : 672.42s CPU 508.54s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.01s WALL ( 1 calls) potinit : 0.16s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 672.42s CPU 508.53s 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 : 0.09s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.76s CPU 0.73s WALL ( 340 calls) cegterg : 490.04s CPU 400.37s WALL ( 433 calls) Called by sum_band: Called by *egterg: h_psi : 496.00s CPU 341.02s WALL ( 7297 calls) s_psi : 15.84s CPU 13.56s WALL ( 7297 calls) g_psi : 1.29s CPU 1.29s WALL ( 6524 calls) cdiaghg : 53.61s CPU 52.75s WALL ( 6864 calls) cegterg:over : 25.60s CPU 25.43s WALL ( 6524 calls) cegterg:upda : 28.84s CPU 29.27s WALL ( 6524 calls) cegterg:last : 14.66s CPU 14.69s WALL ( 1123 calls) cdiaghg:chol : 3.22s CPU 3.10s WALL ( 6864 calls) cdiaghg:inve : 1.84s CPU 1.98s WALL ( 6864 calls) cdiaghg:para : 3.04s CPU 2.93s WALL ( 13728 calls) Called by h_psi: h_psi:vloc : 456.88s CPU 306.99s WALL ( 7297 calls) h_psi:vnl : 36.68s CPU 32.15s WALL ( 7297 calls) add_vuspsi : 16.08s CPU 14.05s WALL ( 7297 calls) General routines calbec : 20.56s CPU 18.07s WALL ( 7297 calls) fft : 0.04s CPU 0.02s WALL ( 15 calls) fftw : 434.91s CPU 288.28s WALL ( 784756 calls) davcio : 0.86s CPU 4.04s WALL ( 680 calls) Parallel routines fft_scatter : 112.45s CPU 92.38s WALL ( 784771 calls) PWSCF : 12m11.30s CPU 10m28.23s WALL This run was terminated on: 0:37:20 4Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=