Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:59:50 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TeO2.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 58 34 10 1604 704 116 Max 59 35 11 1607 723 119 Sum 2109 1225 373 57789 25559 4221 bravais-lattice index = 14 lattice parameter (alat) = 9.0707 a.u. unit-cell volume = 587.7204 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.070685 celldm(2)= 1.000000 celldm(3)= 0.787500 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 0.787500 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.269841 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Te 6.00 127.60000 Te( 1.00) 8 Sym. Ops., with inversion, found (note: 8 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [1,1,0] cryst. s( 3) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 7) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 8) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_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 [1,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,-1,0] 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 [1,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,-1,0] Cartesian axes number of k points= 361 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0027701 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0027701 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0027701 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0027701 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0027701 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0027701 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0027701 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0027701 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0027701 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0027701 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027701 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0027701 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0027701 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0027701 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0027701 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0027701 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0027701 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0027701 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0027701 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0027701 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0027701 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0027701 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0027701 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0027701 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0027701 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0027701 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0027701 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0027701 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0027701 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0027701 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0027701 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0027701 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0027701 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0027701 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0027701 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0027701 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0027701 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0027701 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0027701 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0027701 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0027701 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0027701 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0027701 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0027701 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0027701 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0027701 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0027701 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0027701 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0027701 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0027701 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0027701 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0027701 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0027701 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027701 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0027701 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0027701 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0027701 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0027701 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0027701 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0027701 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0027701 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0027701 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0027701 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0027701 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 70) = ( 0.4893617 0.4893617 -0.0000000), wk = 0.0027701 k( 71) = ( 0.4787234 0.4787234 -0.0000000), wk = 0.0027701 k( 72) = ( 0.4680851 0.4680851 -0.0000000), wk = 0.0027701 k( 73) = ( 0.4574468 0.4574468 -0.0000000), wk = 0.0027701 k( 74) = ( 0.4468085 0.4468085 -0.0000000), wk = 0.0027701 k( 75) = ( 0.4361702 0.4361702 -0.0000000), wk = 0.0027701 k( 76) = ( 0.4255319 0.4255319 -0.0000000), wk = 0.0027701 k( 77) = ( 0.4148936 0.4148936 -0.0000000), wk = 0.0027701 k( 78) = ( 0.4042553 0.4042553 -0.0000000), wk = 0.0027701 k( 79) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0027701 k( 80) = ( 0.3829787 0.3829787 -0.0000000), wk = 0.0027701 k( 81) = ( 0.3723404 0.3723404 -0.0000000), wk = 0.0027701 k( 82) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0027701 k( 83) = ( 0.3510638 0.3510638 -0.0000000), wk = 0.0027701 k( 84) = ( 0.3404255 0.3404255 -0.0000000), wk = 0.0027701 k( 85) = ( 0.3297872 0.3297872 -0.0000000), wk = 0.0027701 k( 86) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0027701 k( 87) = ( 0.3085106 0.3085106 -0.0000000), wk = 0.0027701 k( 88) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0027701 k( 89) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0027701 k( 90) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0027701 k( 91) = ( 0.2659574 0.2659574 -0.0000000), wk = 0.0027701 k( 92) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0027701 k( 93) = ( 0.2446809 0.2446808 -0.0000000), wk = 0.0027701 k( 94) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0027701 k( 95) = ( 0.2234043 0.2234043 -0.0000000), wk = 0.0027701 k( 96) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0027701 k( 97) = ( 0.2021277 0.2021277 -0.0000000), wk = 0.0027701 k( 98) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0027701 k( 99) = ( 0.1808511 0.1808511 -0.0000000), wk = 0.0027701 k( 100) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0027701 k( 101) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0027701 k( 102) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0027701 k( 103) = ( 0.1382979 0.1382979 -0.0000000), wk = 0.0027701 k( 104) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0027701 k( 105) = ( 0.1170213 0.1170213 -0.0000000), wk = 0.0027701 k( 106) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0027701 k( 107) = ( 0.0957447 0.0957447 -0.0000000), wk = 0.0027701 k( 108) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0027701 k( 109) = ( 0.0744681 0.0744681 -0.0000000), wk = 0.0027701 k( 110) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0027701 k( 111) = ( 0.0531915 0.0531915 -0.0000000), wk = 0.0027701 k( 112) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0027701 k( 113) = ( 0.0319149 0.0319149 -0.0000000), wk = 0.0027701 k( 114) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0027701 k( 115) = ( 0.0106383 0.0106383 -0.0000000), wk = 0.0027701 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 118) = ( 0.0000000 0.0000000 0.0151172), wk = 0.0027701 k( 119) = ( 0.0000000 0.0000000 0.0302343), wk = 0.0027701 k( 120) = ( 0.0000000 0.0000000 0.0453515), wk = 0.0027701 k( 121) = ( 0.0000000 0.0000000 0.0604686), wk = 0.0027701 k( 122) = ( 0.0000000 0.0000000 0.0755858), wk = 0.0027701 k( 123) = ( 0.0000000 0.0000000 0.0907029), wk = 0.0027701 k( 124) = ( 0.0000000 0.0000000 0.1058201), wk = 0.0027701 k( 125) = ( 0.0000000 0.0000000 0.1209373), wk = 0.0027701 k( 126) = ( 0.0000000 0.0000000 0.1360544), wk = 0.0027701 k( 127) = ( 0.0000000 0.0000000 0.1511716), wk = 0.0027701 k( 128) = ( 0.0000000 0.0000000 0.1662887), wk = 0.0027701 k( 129) = ( 0.0000000 0.0000000 0.1814059), wk = 0.0027701 k( 130) = ( 0.0000000 0.0000000 0.1965230), wk = 0.0027701 k( 131) = ( 0.0000000 0.0000000 0.2116402), wk = 0.0027701 k( 132) = ( 0.0000000 0.0000000 0.2267574), wk = 0.0027701 k( 133) = ( 0.0000000 0.0000000 0.2418745), wk = 0.0027701 k( 134) = ( 0.0000000 0.0000000 0.2569917), wk = 0.0027701 k( 135) = ( 0.0000000 0.0000000 0.2721088), wk = 0.0027701 k( 136) = ( 0.0000000 0.0000000 0.2872260), wk = 0.0027701 k( 137) = ( 0.0000000 0.0000000 0.3023432), wk = 0.0027701 k( 138) = ( 0.0000000 0.0000000 0.3174603), wk = 0.0027701 k( 139) = ( 0.0000000 0.0000000 0.3325775), wk = 0.0027701 k( 140) = ( 0.0000000 0.0000000 0.3476946), wk = 0.0027701 k( 141) = ( 0.0000000 0.0000000 0.3628118), wk = 0.0027701 k( 142) = ( 0.0000000 0.0000000 0.3779290), wk = 0.0027701 k( 143) = ( 0.0000000 0.0000000 0.3930461), wk = 0.0027701 k( 144) = ( 0.0000000 0.0000000 0.4081633), wk = 0.0027701 k( 145) = ( 0.0000000 0.0000000 0.4232804), wk = 0.0027701 k( 146) = ( 0.0000000 0.0000000 0.4383976), wk = 0.0027701 k( 147) = ( 0.0000000 0.0000000 0.4535147), wk = 0.0027701 k( 148) = ( 0.0000000 0.0000000 0.4686319), wk = 0.0027701 k( 149) = ( 0.0000000 0.0000000 0.4837491), wk = 0.0027701 k( 150) = ( 0.0000000 0.0000000 0.4988662), wk = 0.0027701 k( 151) = ( 0.0000000 0.0000000 0.5139834), wk = 0.0027701 k( 152) = ( 0.0000000 0.0000000 0.5291005), wk = 0.0027701 k( 153) = ( 0.0000000 0.0000000 0.5442177), wk = 0.0027701 k( 154) = ( 0.0000000 0.0000000 0.5593348), wk = 0.0027701 k( 155) = ( 0.0000000 0.0000000 0.5744520), wk = 0.0027701 k( 156) = ( 0.0000000 0.0000000 0.5895692), wk = 0.0027701 k( 157) = ( 0.0000000 0.0000000 0.6046863), wk = 0.0027701 k( 158) = ( 0.0000000 0.0000000 0.6198035), wk = 0.0027701 k( 159) = ( 0.0000000 0.0000000 0.6349206), wk = 0.0027701 k( 160) = ( 0.0000000 0.0000000 0.6349206), wk = 0.0027701 k( 161) = ( 0.0000000 0.0151515 0.6349206), wk = 0.0027701 k( 162) = ( 0.0000000 0.0303030 0.6349206), wk = 0.0027701 k( 163) = ( 0.0000000 0.0454546 0.6349206), wk = 0.0027701 k( 164) = ( 0.0000000 0.0606061 0.6349206), wk = 0.0027701 k( 165) = ( 0.0000000 0.0757576 0.6349206), wk = 0.0027701 k( 166) = ( 0.0000000 0.0909091 0.6349206), wk = 0.0027701 k( 167) = ( 0.0000000 0.1060606 0.6349206), wk = 0.0027701 k( 168) = ( 0.0000000 0.1212121 0.6349206), wk = 0.0027701 k( 169) = ( 0.0000000 0.1363636 0.6349206), wk = 0.0027701 k( 170) = ( 0.0000000 0.1515151 0.6349206), wk = 0.0027701 k( 171) = ( 0.0000000 0.1666667 0.6349206), wk = 0.0027701 k( 172) = ( 0.0000000 0.1818182 0.6349206), wk = 0.0027701 k( 173) = ( 0.0000000 0.1969697 0.6349206), wk = 0.0027701 k( 174) = ( 0.0000000 0.2121212 0.6349206), wk = 0.0027701 k( 175) = ( 0.0000000 0.2272727 0.6349206), wk = 0.0027701 k( 176) = ( 0.0000000 0.2424242 0.6349206), wk = 0.0027701 k( 177) = ( 0.0000000 0.2575758 0.6349206), wk = 0.0027701 k( 178) = ( 0.0000000 0.2727273 0.6349206), wk = 0.0027701 k( 179) = ( 0.0000000 0.2878788 0.6349206), wk = 0.0027701 k( 180) = ( 0.0000000 0.3030303 0.6349206), wk = 0.0027701 k( 181) = ( 0.0000000 0.3181818 0.6349206), wk = 0.0027701 k( 182) = ( 0.0000000 0.3333333 0.6349206), wk = 0.0027701 k( 183) = ( 0.0000000 0.3484849 0.6349206), wk = 0.0027701 k( 184) = ( 0.0000000 0.3636364 0.6349206), wk = 0.0027701 k( 185) = ( 0.0000000 0.3787879 0.6349206), wk = 0.0027701 k( 186) = ( 0.0000000 0.3939394 0.6349206), wk = 0.0027701 k( 187) = ( 0.0000000 0.4090909 0.6349206), wk = 0.0027701 k( 188) = ( 0.0000000 0.4242424 0.6349206), wk = 0.0027701 k( 189) = ( 0.0000000 0.4393939 0.6349206), wk = 0.0027701 k( 190) = ( 0.0000000 0.4545455 0.6349206), wk = 0.0027701 k( 191) = ( 0.0000000 0.4696970 0.6349206), wk = 0.0027701 k( 192) = ( 0.0000000 0.4848485 0.6349206), wk = 0.0027701 k( 193) = ( 0.0000000 0.5000000 0.6349206), wk = 0.0027701 k( 194) = ( 0.0000000 0.5000000 0.6349206), wk = 0.0027701 k( 195) = ( 0.0151515 0.5000000 0.6349206), wk = 0.0027701 k( 196) = ( 0.0303030 0.5000000 0.6349206), wk = 0.0027701 k( 197) = ( 0.0454546 0.5000000 0.6349206), wk = 0.0027701 k( 198) = ( 0.0606061 0.5000000 0.6349206), wk = 0.0027701 k( 199) = ( 0.0757576 0.5000000 0.6349206), wk = 0.0027701 k( 200) = ( 0.0909091 0.5000000 0.6349206), wk = 0.0027701 k( 201) = ( 0.1060606 0.5000000 0.6349206), wk = 0.0027701 k( 202) = ( 0.1212121 0.5000000 0.6349206), wk = 0.0027701 k( 203) = ( 0.1363636 0.5000000 0.6349206), wk = 0.0027701 k( 204) = ( 0.1515151 0.5000000 0.6349206), wk = 0.0027701 k( 205) = ( 0.1666667 0.5000000 0.6349206), wk = 0.0027701 k( 206) = ( 0.1818182 0.5000000 0.6349206), wk = 0.0027701 k( 207) = ( 0.1969697 0.5000000 0.6349206), wk = 0.0027701 k( 208) = ( 0.2121212 0.5000000 0.6349206), wk = 0.0027701 k( 209) = ( 0.2272727 0.5000000 0.6349206), wk = 0.0027701 k( 210) = ( 0.2424242 0.5000000 0.6349206), wk = 0.0027701 k( 211) = ( 0.2575758 0.5000000 0.6349206), wk = 0.0027701 k( 212) = ( 0.2727273 0.5000000 0.6349206), wk = 0.0027701 k( 213) = ( 0.2878788 0.5000000 0.6349206), wk = 0.0027701 k( 214) = ( 0.3030303 0.5000000 0.6349206), wk = 0.0027701 k( 215) = ( 0.3181818 0.5000000 0.6349206), wk = 0.0027701 k( 216) = ( 0.3333333 0.5000000 0.6349206), wk = 0.0027701 k( 217) = ( 0.3484849 0.5000000 0.6349206), wk = 0.0027701 k( 218) = ( 0.3636364 0.5000000 0.6349206), wk = 0.0027701 k( 219) = ( 0.3787879 0.5000000 0.6349206), wk = 0.0027701 k( 220) = ( 0.3939394 0.5000000 0.6349206), wk = 0.0027701 k( 221) = ( 0.4090909 0.5000000 0.6349206), wk = 0.0027701 k( 222) = ( 0.4242424 0.5000000 0.6349206), wk = 0.0027701 k( 223) = ( 0.4393939 0.5000000 0.6349206), wk = 0.0027701 k( 224) = ( 0.4545455 0.5000000 0.6349206), wk = 0.0027701 k( 225) = ( 0.4696970 0.5000000 0.6349206), wk = 0.0027701 k( 226) = ( 0.4848485 0.5000000 0.6349206), wk = 0.0027701 k( 227) = ( 0.5000000 0.5000000 0.6349206), wk = 0.0027701 k( 228) = ( 0.5000000 0.5000000 0.6349206), wk = 0.0027701 k( 229) = ( 0.4893617 0.4893617 0.6349206), wk = 0.0027701 k( 230) = ( 0.4787234 0.4787234 0.6349206), wk = 0.0027701 k( 231) = ( 0.4680851 0.4680851 0.6349206), wk = 0.0027701 k( 232) = ( 0.4574468 0.4574468 0.6349206), wk = 0.0027701 k( 233) = ( 0.4468085 0.4468085 0.6349206), wk = 0.0027701 k( 234) = ( 0.4361702 0.4361702 0.6349206), wk = 0.0027701 k( 235) = ( 0.4255319 0.4255319 0.6349206), wk = 0.0027701 k( 236) = ( 0.4148936 0.4148936 0.6349206), wk = 0.0027701 k( 237) = ( 0.4042553 0.4042553 0.6349206), wk = 0.0027701 k( 238) = ( 0.3936170 0.3936170 0.6349206), wk = 0.0027701 k( 239) = ( 0.3829787 0.3829787 0.6349206), wk = 0.0027701 k( 240) = ( 0.3723404 0.3723404 0.6349206), wk = 0.0027701 k( 241) = ( 0.3617021 0.3617021 0.6349206), wk = 0.0027701 k( 242) = ( 0.3510638 0.3510638 0.6349206), wk = 0.0027701 k( 243) = ( 0.3404255 0.3404255 0.6349206), wk = 0.0027701 k( 244) = ( 0.3297872 0.3297872 0.6349206), wk = 0.0027701 k( 245) = ( 0.3191489 0.3191489 0.6349206), wk = 0.0027701 k( 246) = ( 0.3085106 0.3085106 0.6349206), wk = 0.0027701 k( 247) = ( 0.2978723 0.2978723 0.6349206), wk = 0.0027701 k( 248) = ( 0.2872340 0.2872340 0.6349206), wk = 0.0027701 k( 249) = ( 0.2765957 0.2765957 0.6349206), wk = 0.0027701 k( 250) = ( 0.2659574 0.2659574 0.6349206), wk = 0.0027701 k( 251) = ( 0.2553191 0.2553191 0.6349206), wk = 0.0027701 k( 252) = ( 0.2446809 0.2446808 0.6349206), wk = 0.0027701 k( 253) = ( 0.2340425 0.2340425 0.6349206), wk = 0.0027701 k( 254) = ( 0.2234043 0.2234043 0.6349206), wk = 0.0027701 k( 255) = ( 0.2127660 0.2127660 0.6349206), wk = 0.0027701 k( 256) = ( 0.2021277 0.2021277 0.6349206), wk = 0.0027701 k( 257) = ( 0.1914894 0.1914894 0.6349206), wk = 0.0027701 k( 258) = ( 0.1808511 0.1808511 0.6349206), wk = 0.0027701 k( 259) = ( 0.1702128 0.1702128 0.6349206), wk = 0.0027701 k( 260) = ( 0.1595745 0.1595745 0.6349206), wk = 0.0027701 k( 261) = ( 0.1489362 0.1489362 0.6349206), wk = 0.0027701 k( 262) = ( 0.1382979 0.1382979 0.6349206), wk = 0.0027701 k( 263) = ( 0.1276596 0.1276596 0.6349206), wk = 0.0027701 k( 264) = ( 0.1170213 0.1170213 0.6349206), wk = 0.0027701 k( 265) = ( 0.1063830 0.1063830 0.6349206), wk = 0.0027701 k( 266) = ( 0.0957447 0.0957447 0.6349206), wk = 0.0027701 k( 267) = ( 0.0851064 0.0851064 0.6349206), wk = 0.0027701 k( 268) = ( 0.0744681 0.0744681 0.6349206), wk = 0.0027701 k( 269) = ( 0.0638298 0.0638298 0.6349206), wk = 0.0027701 k( 270) = ( 0.0531915 0.0531915 0.6349206), wk = 0.0027701 k( 271) = ( 0.0425532 0.0425532 0.6349206), wk = 0.0027701 k( 272) = ( 0.0319149 0.0319149 0.6349206), wk = 0.0027701 k( 273) = ( 0.0212766 0.0212766 0.6349206), wk = 0.0027701 k( 274) = ( 0.0106383 0.0106383 0.6349206), wk = 0.0027701 k( 275) = ( 0.0000000 0.0000000 0.6349206), wk = 0.0027701 k( 276) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 277) = ( 0.0000000 0.5000000 0.0151172), wk = 0.0027701 k( 278) = ( 0.0000000 0.5000000 0.0302343), wk = 0.0027701 k( 279) = ( 0.0000000 0.5000000 0.0453515), wk = 0.0027701 k( 280) = ( 0.0000000 0.5000000 0.0604686), wk = 0.0027701 k( 281) = ( 0.0000000 0.5000000 0.0755858), wk = 0.0027701 k( 282) = ( 0.0000000 0.5000000 0.0907029), wk = 0.0027701 k( 283) = ( 0.0000000 0.5000000 0.1058201), wk = 0.0027701 k( 284) = ( 0.0000000 0.5000000 0.1209373), wk = 0.0027701 k( 285) = ( 0.0000000 0.5000000 0.1360544), wk = 0.0027701 k( 286) = ( 0.0000000 0.5000000 0.1511716), wk = 0.0027701 k( 287) = ( 0.0000000 0.5000000 0.1662887), wk = 0.0027701 k( 288) = ( 0.0000000 0.5000000 0.1814059), wk = 0.0027701 k( 289) = ( 0.0000000 0.5000000 0.1965230), wk = 0.0027701 k( 290) = ( 0.0000000 0.5000000 0.2116402), wk = 0.0027701 k( 291) = ( 0.0000000 0.5000000 0.2267574), wk = 0.0027701 k( 292) = ( 0.0000000 0.5000000 0.2418745), wk = 0.0027701 k( 293) = ( 0.0000000 0.5000000 0.2569917), wk = 0.0027701 k( 294) = ( 0.0000000 0.5000000 0.2721088), wk = 0.0027701 k( 295) = ( 0.0000000 0.5000000 0.2872260), wk = 0.0027701 k( 296) = ( 0.0000000 0.5000000 0.3023432), wk = 0.0027701 k( 297) = ( 0.0000000 0.5000000 0.3174603), wk = 0.0027701 k( 298) = ( 0.0000000 0.5000000 0.3325775), wk = 0.0027701 k( 299) = ( 0.0000000 0.5000000 0.3476946), wk = 0.0027701 k( 300) = ( 0.0000000 0.5000000 0.3628118), wk = 0.0027701 k( 301) = ( 0.0000000 0.5000000 0.3779290), wk = 0.0027701 k( 302) = ( 0.0000000 0.5000000 0.3930461), wk = 0.0027701 k( 303) = ( 0.0000000 0.5000000 0.4081633), wk = 0.0027701 k( 304) = ( 0.0000000 0.5000000 0.4232804), wk = 0.0027701 k( 305) = ( 0.0000000 0.5000000 0.4383976), wk = 0.0027701 k( 306) = ( 0.0000000 0.5000000 0.4535147), wk = 0.0027701 k( 307) = ( 0.0000000 0.5000000 0.4686319), wk = 0.0027701 k( 308) = ( 0.0000000 0.5000000 0.4837491), wk = 0.0027701 k( 309) = ( 0.0000000 0.5000000 0.4988662), wk = 0.0027701 k( 310) = ( 0.0000000 0.5000000 0.5139834), wk = 0.0027701 k( 311) = ( 0.0000000 0.5000000 0.5291005), wk = 0.0027701 k( 312) = ( 0.0000000 0.5000000 0.5442177), wk = 0.0027701 k( 313) = ( 0.0000000 0.5000000 0.5593348), wk = 0.0027701 k( 314) = ( 0.0000000 0.5000000 0.5744520), wk = 0.0027701 k( 315) = ( 0.0000000 0.5000000 0.5895692), wk = 0.0027701 k( 316) = ( 0.0000000 0.5000000 0.6046863), wk = 0.0027701 k( 317) = ( 0.0000000 0.5000000 0.6198035), wk = 0.0027701 k( 318) = ( 0.0000000 0.5000000 0.6349206), wk = 0.0027701 k( 319) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 320) = ( 0.5000000 0.5000000 0.0151172), wk = 0.0027701 k( 321) = ( 0.5000000 0.5000000 0.0302343), wk = 0.0027701 k( 322) = ( 0.5000000 0.5000000 0.0453515), wk = 0.0027701 k( 323) = ( 0.5000000 0.5000000 0.0604686), wk = 0.0027701 k( 324) = ( 0.5000000 0.5000000 0.0755858), wk = 0.0027701 k( 325) = ( 0.5000000 0.5000000 0.0907029), wk = 0.0027701 k( 326) = ( 0.5000000 0.5000000 0.1058201), wk = 0.0027701 k( 327) = ( 0.5000000 0.5000000 0.1209373), wk = 0.0027701 k( 328) = ( 0.5000000 0.5000000 0.1360544), wk = 0.0027701 k( 329) = ( 0.5000000 0.5000000 0.1511716), wk = 0.0027701 k( 330) = ( 0.5000000 0.5000000 0.1662887), wk = 0.0027701 k( 331) = ( 0.5000000 0.5000000 0.1814059), wk = 0.0027701 k( 332) = ( 0.5000000 0.5000000 0.1965230), wk = 0.0027701 k( 333) = ( 0.5000000 0.5000000 0.2116402), wk = 0.0027701 k( 334) = ( 0.5000000 0.5000000 0.2267574), wk = 0.0027701 k( 335) = ( 0.5000000 0.5000000 0.2418745), wk = 0.0027701 k( 336) = ( 0.5000000 0.5000000 0.2569917), wk = 0.0027701 k( 337) = ( 0.5000000 0.5000000 0.2721088), wk = 0.0027701 k( 338) = ( 0.5000000 0.5000000 0.2872260), wk = 0.0027701 k( 339) = ( 0.5000000 0.5000000 0.3023432), wk = 0.0027701 k( 340) = ( 0.5000000 0.5000000 0.3174603), wk = 0.0027701 k( 341) = ( 0.5000000 0.5000000 0.3325775), wk = 0.0027701 k( 342) = ( 0.5000000 0.5000000 0.3476946), wk = 0.0027701 k( 343) = ( 0.5000000 0.5000000 0.3628118), wk = 0.0027701 k( 344) = ( 0.5000000 0.5000000 0.3779290), wk = 0.0027701 k( 345) = ( 0.5000000 0.5000000 0.3930461), wk = 0.0027701 k( 346) = ( 0.5000000 0.5000000 0.4081633), wk = 0.0027701 k( 347) = ( 0.5000000 0.5000000 0.4232804), wk = 0.0027701 k( 348) = ( 0.5000000 0.5000000 0.4383976), wk = 0.0027701 k( 349) = ( 0.5000000 0.5000000 0.4535147), wk = 0.0027701 k( 350) = ( 0.5000000 0.5000000 0.4686319), wk = 0.0027701 k( 351) = ( 0.5000000 0.5000000 0.4837491), wk = 0.0027701 k( 352) = ( 0.5000000 0.5000000 0.4988662), wk = 0.0027701 k( 353) = ( 0.5000000 0.5000000 0.5139834), wk = 0.0027701 k( 354) = ( 0.5000000 0.5000000 0.5291005), wk = 0.0027701 k( 355) = ( 0.5000000 0.5000000 0.5442177), wk = 0.0027701 k( 356) = ( 0.5000000 0.5000000 0.5593348), wk = 0.0027701 k( 357) = ( 0.5000000 0.5000000 0.5744520), wk = 0.0027701 k( 358) = ( 0.5000000 0.5000000 0.5895692), wk = 0.0027701 k( 359) = ( 0.5000000 0.5000000 0.6046863), wk = 0.0027701 k( 360) = ( 0.5000000 0.5000000 0.6198035), wk = 0.0027701 k( 361) = ( 0.5000000 0.5000000 0.6349206), wk = 0.0027701 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0027701 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0027701 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0027701 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0027701 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0027701 k( 7) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0027701 k( 8) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0027701 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0027701 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0027701 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0027701 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027701 k( 13) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0027701 k( 14) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0027701 k( 15) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0027701 k( 16) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0027701 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0027701 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0027701 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0027701 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0027701 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0027701 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0027701 k( 23) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0027701 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0027701 k( 25) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0027701 k( 26) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0027701 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0027701 k( 28) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0027701 k( 29) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0027701 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0027701 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0027701 k( 32) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0027701 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0027701 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027701 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027701 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0027701 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0027701 k( 38) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0027701 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0027701 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0027701 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0027701 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0027701 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0027701 k( 44) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0027701 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0027701 k( 46) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0027701 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0027701 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0027701 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0027701 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0027701 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0027701 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0027701 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0027701 k( 54) = ( 0.2878788 0.5000000 0.0000000), wk = 0.0027701 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0027701 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0027701 k( 57) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0027701 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0027701 k( 59) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0027701 k( 60) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0027701 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0027701 k( 62) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0027701 k( 63) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0027701 k( 64) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0027701 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0027701 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0027701 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0027701 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027701 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027701 k( 70) = ( 0.4893617 0.4893617 0.0000000), wk = 0.0027701 k( 71) = ( 0.4787234 0.4787234 0.0000000), wk = 0.0027701 k( 72) = ( 0.4680851 0.4680851 0.0000000), wk = 0.0027701 k( 73) = ( 0.4574468 0.4574468 0.0000000), wk = 0.0027701 k( 74) = ( 0.4468085 0.4468085 0.0000000), wk = 0.0027701 k( 75) = ( 0.4361702 0.4361702 0.0000000), wk = 0.0027701 k( 76) = ( 0.4255319 0.4255319 -0.0000000), wk = 0.0027701 k( 77) = ( 0.4148936 0.4148936 0.0000000), wk = 0.0027701 k( 78) = ( 0.4042553 0.4042553 0.0000000), wk = 0.0027701 k( 79) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0027701 k( 80) = ( 0.3829787 0.3829787 0.0000000), wk = 0.0027701 k( 81) = ( 0.3723404 0.3723404 -0.0000000), wk = 0.0027701 k( 82) = ( 0.3617021 0.3617021 0.0000000), wk = 0.0027701 k( 83) = ( 0.3510638 0.3510638 0.0000000), wk = 0.0027701 k( 84) = ( 0.3404255 0.3404255 0.0000000), wk = 0.0027701 k( 85) = ( 0.3297872 0.3297872 0.0000000), wk = 0.0027701 k( 86) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0027701 k( 87) = ( 0.3085106 0.3085106 0.0000000), wk = 0.0027701 k( 88) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0027701 k( 89) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0027701 k( 90) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0027701 k( 91) = ( 0.2659574 0.2659574 0.0000000), wk = 0.0027701 k( 92) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0027701 k( 93) = ( 0.2446809 0.2446809 0.0000000), wk = 0.0027701 k( 94) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0027701 k( 95) = ( 0.2234043 0.2234043 0.0000000), wk = 0.0027701 k( 96) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0027701 k( 97) = ( 0.2021277 0.2021277 0.0000000), wk = 0.0027701 k( 98) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0027701 k( 99) = ( 0.1808511 0.1808511 0.0000000), wk = 0.0027701 k( 100) = ( 0.1702128 0.1702128 0.0000000), wk = 0.0027701 k( 101) = ( 0.1595745 0.1595745 0.0000000), wk = 0.0027701 k( 102) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0027701 k( 103) = ( 0.1382979 0.1382979 0.0000000), wk = 0.0027701 k( 104) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0027701 k( 105) = ( 0.1170213 0.1170213 -0.0000000), wk = 0.0027701 k( 106) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0027701 k( 107) = ( 0.0957447 0.0957447 0.0000000), wk = 0.0027701 k( 108) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0027701 k( 109) = ( 0.0744681 0.0744681 -0.0000000), wk = 0.0027701 k( 110) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0027701 k( 111) = ( 0.0531915 0.0531915 0.0000000), wk = 0.0027701 k( 112) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0027701 k( 113) = ( 0.0319149 0.0319149 0.0000000), wk = 0.0027701 k( 114) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0027701 k( 115) = ( 0.0106383 0.0106383 0.0000000), wk = 0.0027701 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 118) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0027701 k( 119) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0027701 k( 120) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0027701 k( 121) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0027701 k( 122) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0027701 k( 123) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0027701 k( 124) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0027701 k( 125) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0027701 k( 126) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0027701 k( 127) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0027701 k( 128) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0027701 k( 129) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0027701 k( 130) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0027701 k( 131) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027701 k( 132) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0027701 k( 133) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0027701 k( 134) = ( 0.0000000 0.0000000 0.2023809), wk = 0.0027701 k( 135) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0027701 k( 136) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0027701 k( 137) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0027701 k( 138) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027701 k( 139) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0027701 k( 140) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0027701 k( 141) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0027701 k( 142) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0027701 k( 143) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0027701 k( 144) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0027701 k( 145) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027701 k( 146) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0027701 k( 147) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0027701 k( 148) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0027701 k( 149) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0027701 k( 150) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0027701 k( 151) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0027701 k( 152) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0027701 k( 153) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0027701 k( 154) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0027701 k( 155) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0027701 k( 156) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0027701 k( 157) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0027701 k( 158) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0027701 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 161) = ( 0.0000000 0.0151515 0.5000000), wk = 0.0027701 k( 162) = ( 0.0000000 0.0303030 0.5000000), wk = 0.0027701 k( 163) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0027701 k( 164) = ( 0.0000000 0.0606061 0.5000000), wk = 0.0027701 k( 165) = ( 0.0000000 0.0757576 0.5000000), wk = 0.0027701 k( 166) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0027701 k( 167) = ( 0.0000000 0.1060606 0.5000000), wk = 0.0027701 k( 168) = ( 0.0000000 0.1212121 0.5000000), wk = 0.0027701 k( 169) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0027701 k( 170) = ( 0.0000000 0.1515151 0.5000000), wk = 0.0027701 k( 171) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0027701 k( 172) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0027701 k( 173) = ( 0.0000000 0.1969697 0.5000000), wk = 0.0027701 k( 174) = ( 0.0000000 0.2121212 0.5000000), wk = 0.0027701 k( 175) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0027701 k( 176) = ( 0.0000000 0.2424242 0.5000000), wk = 0.0027701 k( 177) = ( 0.0000000 0.2575758 0.5000000), wk = 0.0027701 k( 178) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0027701 k( 179) = ( 0.0000000 0.2878788 0.5000000), wk = 0.0027701 k( 180) = ( 0.0000000 0.3030303 0.5000000), wk = 0.0027701 k( 181) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0027701 k( 182) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0027701 k( 183) = ( 0.0000000 0.3484849 0.5000000), wk = 0.0027701 k( 184) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0027701 k( 185) = ( 0.0000000 0.3787879 0.5000000), wk = 0.0027701 k( 186) = ( 0.0000000 0.3939394 0.5000000), wk = 0.0027701 k( 187) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0027701 k( 188) = ( 0.0000000 0.4242424 0.5000000), wk = 0.0027701 k( 189) = ( 0.0000000 0.4393939 0.5000000), wk = 0.0027701 k( 190) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0027701 k( 191) = ( 0.0000000 0.4696970 0.5000000), wk = 0.0027701 k( 192) = ( 0.0000000 0.4848485 0.5000000), wk = 0.0027701 k( 193) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027701 k( 194) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027701 k( 195) = ( 0.0151515 0.5000000 0.5000000), wk = 0.0027701 k( 196) = ( 0.0303030 0.5000000 0.5000000), wk = 0.0027701 k( 197) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0027701 k( 198) = ( 0.0606061 0.5000000 0.5000000), wk = 0.0027701 k( 199) = ( 0.0757576 0.5000000 0.5000000), wk = 0.0027701 k( 200) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0027701 k( 201) = ( 0.1060606 0.5000000 0.5000000), wk = 0.0027701 k( 202) = ( 0.1212121 0.5000000 0.5000000), wk = 0.0027701 k( 203) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0027701 k( 204) = ( 0.1515151 0.5000000 0.5000000), wk = 0.0027701 k( 205) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0027701 k( 206) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0027701 k( 207) = ( 0.1969697 0.5000000 0.5000000), wk = 0.0027701 k( 208) = ( 0.2121212 0.5000000 0.5000000), wk = 0.0027701 k( 209) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0027701 k( 210) = ( 0.2424242 0.5000000 0.5000000), wk = 0.0027701 k( 211) = ( 0.2575758 0.5000000 0.5000000), wk = 0.0027701 k( 212) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0027701 k( 213) = ( 0.2878788 0.5000000 0.5000000), wk = 0.0027701 k( 214) = ( 0.3030303 0.5000000 0.5000000), wk = 0.0027701 k( 215) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0027701 k( 216) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0027701 k( 217) = ( 0.3484849 0.5000000 0.5000000), wk = 0.0027701 k( 218) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0027701 k( 219) = ( 0.3787879 0.5000000 0.5000000), wk = 0.0027701 k( 220) = ( 0.3939394 0.5000000 0.5000000), wk = 0.0027701 k( 221) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0027701 k( 222) = ( 0.4242424 0.5000000 0.5000000), wk = 0.0027701 k( 223) = ( 0.4393939 0.5000000 0.5000000), wk = 0.0027701 k( 224) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0027701 k( 225) = ( 0.4696970 0.5000000 0.5000000), wk = 0.0027701 k( 226) = ( 0.4848485 0.5000000 0.5000000), wk = 0.0027701 k( 227) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 k( 228) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 k( 229) = ( 0.4893617 0.4893617 0.5000000), wk = 0.0027701 k( 230) = ( 0.4787234 0.4787234 0.5000000), wk = 0.0027701 k( 231) = ( 0.4680851 0.4680851 0.5000000), wk = 0.0027701 k( 232) = ( 0.4574468 0.4574468 0.5000000), wk = 0.0027701 k( 233) = ( 0.4468085 0.4468085 0.5000000), wk = 0.0027701 k( 234) = ( 0.4361702 0.4361702 0.5000000), wk = 0.0027701 k( 235) = ( 0.4255319 0.4255319 0.5000000), wk = 0.0027701 k( 236) = ( 0.4148936 0.4148936 0.5000000), wk = 0.0027701 k( 237) = ( 0.4042553 0.4042553 0.5000000), wk = 0.0027701 k( 238) = ( 0.3936170 0.3936170 0.5000000), wk = 0.0027701 k( 239) = ( 0.3829787 0.3829787 0.5000000), wk = 0.0027701 k( 240) = ( 0.3723404 0.3723404 0.5000000), wk = 0.0027701 k( 241) = ( 0.3617021 0.3617021 0.5000000), wk = 0.0027701 k( 242) = ( 0.3510638 0.3510638 0.5000000), wk = 0.0027701 k( 243) = ( 0.3404255 0.3404255 0.5000000), wk = 0.0027701 k( 244) = ( 0.3297872 0.3297872 0.5000000), wk = 0.0027701 k( 245) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0027701 k( 246) = ( 0.3085106 0.3085106 0.5000000), wk = 0.0027701 k( 247) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0027701 k( 248) = ( 0.2872340 0.2872340 0.5000000), wk = 0.0027701 k( 249) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0027701 k( 250) = ( 0.2659574 0.2659574 0.5000000), wk = 0.0027701 k( 251) = ( 0.2553191 0.2553191 0.5000000), wk = 0.0027701 k( 252) = ( 0.2446809 0.2446809 0.5000000), wk = 0.0027701 k( 253) = ( 0.2340425 0.2340425 0.5000000), wk = 0.0027701 k( 254) = ( 0.2234043 0.2234043 0.5000000), wk = 0.0027701 k( 255) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0027701 k( 256) = ( 0.2021277 0.2021277 0.5000000), wk = 0.0027701 k( 257) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0027701 k( 258) = ( 0.1808511 0.1808511 0.5000000), wk = 0.0027701 k( 259) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0027701 k( 260) = ( 0.1595745 0.1595745 0.5000000), wk = 0.0027701 k( 261) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0027701 k( 262) = ( 0.1382979 0.1382979 0.5000000), wk = 0.0027701 k( 263) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0027701 k( 264) = ( 0.1170213 0.1170213 0.5000000), wk = 0.0027701 k( 265) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0027701 k( 266) = ( 0.0957447 0.0957447 0.5000000), wk = 0.0027701 k( 267) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0027701 k( 268) = ( 0.0744681 0.0744681 0.5000000), wk = 0.0027701 k( 269) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0027701 k( 270) = ( 0.0531915 0.0531915 0.5000000), wk = 0.0027701 k( 271) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0027701 k( 272) = ( 0.0319149 0.0319149 0.5000000), wk = 0.0027701 k( 273) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0027701 k( 274) = ( 0.0106383 0.0106383 0.5000000), wk = 0.0027701 k( 275) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 276) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027701 k( 277) = ( 0.0000000 0.5000000 0.0119048), wk = 0.0027701 k( 278) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0027701 k( 279) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0027701 k( 280) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0027701 k( 281) = ( 0.0000000 0.5000000 0.0595238), wk = 0.0027701 k( 282) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0027701 k( 283) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0027701 k( 284) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0027701 k( 285) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0027701 k( 286) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0027701 k( 287) = ( 0.0000000 0.5000000 0.1309524), wk = 0.0027701 k( 288) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0027701 k( 289) = ( 0.0000000 0.5000000 0.1547619), wk = 0.0027701 k( 290) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0027701 k( 291) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0027701 k( 292) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0027701 k( 293) = ( 0.0000000 0.5000000 0.2023809), wk = 0.0027701 k( 294) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0027701 k( 295) = ( 0.0000000 0.5000000 0.2261905), wk = 0.0027701 k( 296) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0027701 k( 297) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027701 k( 298) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0027701 k( 299) = ( 0.0000000 0.5000000 0.2738095), wk = 0.0027701 k( 300) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0027701 k( 301) = ( 0.0000000 0.5000000 0.2976190), wk = 0.0027701 k( 302) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0027701 k( 303) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0027701 k( 304) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0027701 k( 305) = ( 0.0000000 0.5000000 0.3452381), wk = 0.0027701 k( 306) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0027701 k( 307) = ( 0.0000000 0.5000000 0.3690476), wk = 0.0027701 k( 308) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0027701 k( 309) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0027701 k( 310) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0027701 k( 311) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0027701 k( 312) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0027701 k( 313) = ( 0.0000000 0.5000000 0.4404762), wk = 0.0027701 k( 314) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0027701 k( 315) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0027701 k( 316) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0027701 k( 317) = ( 0.0000000 0.5000000 0.4880952), wk = 0.0027701 k( 318) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027701 k( 319) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027701 k( 320) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0027701 k( 321) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0027701 k( 322) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0027701 k( 323) = ( 0.5000000 0.5000000 0.0476190), wk = 0.0027701 k( 324) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0027701 k( 325) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0027701 k( 326) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0027701 k( 327) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0027701 k( 328) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0027701 k( 329) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0027701 k( 330) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0027701 k( 331) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0027701 k( 332) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0027701 k( 333) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0027701 k( 334) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0027701 k( 335) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0027701 k( 336) = ( 0.5000000 0.5000000 0.2023809), wk = 0.0027701 k( 337) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0027701 k( 338) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0027701 k( 339) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0027701 k( 340) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027701 k( 341) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0027701 k( 342) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0027701 k( 343) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0027701 k( 344) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0027701 k( 345) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0027701 k( 346) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0027701 k( 347) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0027701 k( 348) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0027701 k( 349) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0027701 k( 350) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0027701 k( 351) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0027701 k( 352) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0027701 k( 353) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0027701 k( 354) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0027701 k( 355) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0027701 k( 356) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0027701 k( 357) = ( 0.5000000 0.5000000 0.4523809), wk = 0.0027701 k( 358) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0027701 k( 359) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0027701 k( 360) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0027701 k( 361) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 Dense grid: 57789 G-vectors FFT dimensions: ( 54, 54, 45) Smooth grid: 25559 G-vectors FFT dimensions: ( 40, 40, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 190, 44) NL pseudopotentials 0.18 Mb ( 95, 124) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1607) G-vector shells 0.01 Mb ( 791) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 190, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.17 Mb ( 124, 2, 44) The potential is recalculated from file : ./TeO2.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.7 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.3 secs Computing kpt #: 9 total cpu time spent up to now is 4.7 secs Computing kpt #: 10 total cpu time spent up to now is 5.0 secs Computing kpt #: 11 total cpu time spent up to now is 5.3 secs Computing kpt #: 12 total cpu time spent up to now is 5.6 secs Computing kpt #: 13 total cpu time spent up to now is 5.9 secs Computing kpt #: 14 total cpu time spent up to now is 6.3 secs Computing kpt #: 15 total cpu time spent up to now is 6.6 secs Computing kpt #: 16 total cpu time spent up to now is 6.9 secs Computing kpt #: 17 total cpu time spent up to now is 7.2 secs Computing kpt #: 18 total cpu time spent up to now is 7.5 secs Computing kpt #: 19 total cpu time spent up to now is 7.7 secs Computing kpt #: 20 total cpu time spent up to now is 8.0 secs Computing kpt #: 21 total cpu time spent up to now is 8.3 secs Computing kpt #: 22 total cpu time spent up to now is 8.6 secs Computing kpt #: 23 total cpu time spent up to now is 8.9 secs Computing kpt #: 24 total cpu time spent up to now is 9.2 secs Computing kpt #: 25 total cpu time spent up to now is 9.4 secs Computing kpt #: 26 total cpu time spent up to now is 9.7 secs Computing kpt #: 27 total cpu time spent up to now is 10.0 secs Computing kpt #: 28 total cpu time spent up to now is 10.2 secs Computing kpt #: 29 total cpu time spent up to now is 10.5 secs Computing kpt #: 30 total cpu time spent up to now is 10.8 secs Computing kpt #: 31 total cpu time spent up to now is 11.0 secs Computing kpt #: 32 total cpu time spent up to now is 11.3 secs Computing kpt #: 33 total cpu time spent up to now is 11.6 secs Computing kpt #: 34 total cpu time spent up to now is 11.8 secs Computing kpt #: 35 total cpu time spent up to now is 12.1 secs Computing kpt #: 36 total cpu time spent up to now is 12.4 secs Computing kpt #: 37 total cpu time spent up to now is 12.6 secs Computing kpt #: 38 total cpu time spent up to now is 12.9 secs Computing kpt #: 39 total cpu time spent up to now is 13.1 secs Computing kpt #: 40 total cpu time spent up to now is 13.4 secs Computing kpt #: 41 total cpu time spent up to now is 13.7 secs Computing kpt #: 42 total cpu time spent up to now is 13.9 secs Computing kpt #: 43 total cpu time spent up to now is 14.2 secs Computing kpt #: 44 total cpu time spent up to now is 14.5 secs Computing kpt #: 45 total cpu time spent up to now is 14.7 secs Computing kpt #: 46 total cpu time spent up to now is 15.0 secs Computing kpt #: 47 total cpu time spent up to now is 15.3 secs Computing kpt #: 48 total cpu time spent up to now is 15.5 secs Computing kpt #: 49 total cpu time spent up to now is 15.8 secs Computing kpt #: 50 total cpu time spent up to now is 16.0 secs Computing kpt #: 51 total cpu time spent up to now is 16.3 secs Computing kpt #: 52 total cpu time spent up to now is 16.6 secs Computing kpt #: 53 total cpu time spent up to now is 16.8 secs Computing kpt #: 54 total cpu time spent up to now is 17.1 secs Computing kpt #: 55 total cpu time spent up to now is 17.4 secs Computing kpt #: 56 total cpu time spent up to now is 17.7 secs Computing kpt #: 57 total cpu time spent up to now is 17.9 secs Computing kpt #: 58 total cpu time spent up to now is 18.2 secs Computing kpt #: 59 total cpu time spent up to now is 18.5 secs Computing kpt #: 60 total cpu time spent up to now is 18.8 secs Computing kpt #: 61 total cpu time spent up to now is 19.0 secs Computing kpt #: 62 total cpu time spent up to now is 19.3 secs Computing kpt #: 63 total cpu time spent up to now is 19.6 secs Computing kpt #: 64 total cpu time spent up to now is 19.9 secs Computing kpt #: 65 total cpu time spent up to now is 20.1 secs Computing kpt #: 66 total cpu time spent up to now is 20.4 secs Computing kpt #: 67 total cpu time spent up to now is 20.7 secs Computing kpt #: 68 total cpu time spent up to now is 21.0 secs Computing kpt #: 69 total cpu time spent up to now is 21.2 secs Computing kpt #: 70 total cpu time spent up to now is 21.5 secs Computing kpt #: 71 total cpu time spent up to now is 21.8 secs Computing kpt #: 72 total cpu time spent up to now is 22.1 secs Computing kpt #: 73 total cpu time spent up to now is 22.3 secs Computing kpt #: 74 total cpu time spent up to now is 22.6 secs Computing kpt #: 75 total cpu time spent up to now is 22.9 secs Computing kpt #: 76 total cpu time spent up to now is 23.2 secs Computing kpt #: 77 total cpu time spent up to now is 23.5 secs Computing kpt #: 78 total cpu time spent up to now is 23.7 secs Computing kpt #: 79 total cpu time spent up to now is 24.0 secs Computing kpt #: 80 total cpu time spent up to now is 24.3 secs Computing kpt #: 81 total cpu time spent up to now is 24.6 secs Computing kpt #: 82 total cpu time spent up to now is 24.9 secs Computing kpt #: 83 total cpu time spent up to now is 25.2 secs Computing kpt #: 84 total cpu time spent up to now is 25.5 secs Computing kpt #: 85 total cpu time spent up to now is 25.7 secs Computing kpt #: 86 total cpu time spent up to now is 26.0 secs Computing kpt #: 87 total cpu time spent up to now is 26.3 secs Computing kpt #: 88 total cpu time spent up to now is 26.6 secs Computing kpt #: 89 total cpu time spent up to now is 26.9 secs Computing kpt #: 90 total cpu time spent up to now is 27.2 secs Computing kpt #: 91 total cpu time spent up to now is 27.5 secs Computing kpt #: 92 total cpu time spent up to now is 27.8 secs Computing kpt #: 93 total cpu time spent up to now is 28.1 secs Computing kpt #: 94 total cpu time spent up to now is 28.4 secs Computing kpt #: 95 total cpu time spent up to now is 28.7 secs Computing kpt #: 96 total cpu time spent up to now is 28.9 secs Computing kpt #: 97 total cpu time spent up to now is 29.2 secs Computing kpt #: 98 total cpu time spent up to now is 29.5 secs Computing kpt #: 99 total cpu time spent up to now is 29.8 secs Computing kpt #: 100 total cpu time spent up to now is 30.1 secs Computing kpt #: 101 total cpu time spent up to now is 30.4 secs Computing kpt #: 102 total cpu time spent up to now is 30.7 secs Computing kpt #: 103 total cpu time spent up to now is 31.0 secs Computing kpt #: 104 total cpu time spent up to now is 31.2 secs Computing kpt #: 105 total cpu time spent up to now is 31.5 secs Computing kpt #: 106 total cpu time spent up to now is 31.8 secs Computing kpt #: 107 total cpu time spent up to now is 32.1 secs Computing kpt #: 108 total cpu time spent up to now is 32.4 secs Computing kpt #: 109 total cpu time spent up to now is 32.7 secs Computing kpt #: 110 total cpu time spent up to now is 33.0 secs Computing kpt #: 111 total cpu time spent up to now is 33.3 secs Computing kpt #: 112 total cpu time spent up to now is 33.7 secs Computing kpt #: 113 total cpu time spent up to now is 34.0 secs Computing kpt #: 114 total cpu time spent up to now is 34.3 secs Computing kpt #: 115 total cpu time spent up to now is 34.6 secs Computing kpt #: 116 total cpu time spent up to now is 34.9 secs Computing kpt #: 117 total cpu time spent up to now is 35.3 secs Computing kpt #: 118 total cpu time spent up to now is 35.6 secs Computing kpt #: 119 total cpu time spent up to now is 35.9 secs Computing kpt #: 120 total cpu time spent up to now is 36.3 secs Computing kpt #: 121 total cpu time spent up to now is 36.6 secs Computing kpt #: 122 total cpu time spent up to now is 36.9 secs Computing kpt #: 123 total cpu time spent up to now is 37.2 secs Computing kpt #: 124 total cpu time spent up to now is 37.5 secs Computing kpt #: 125 total cpu time spent up to now is 37.8 secs Computing kpt #: 126 total cpu time spent up to now is 38.1 secs Computing kpt #: 127 total cpu time spent up to now is 38.4 secs Computing kpt #: 128 total cpu time spent up to now is 38.7 secs Computing kpt #: 129 total cpu time spent up to now is 39.1 secs Computing kpt #: 130 total cpu time spent up to now is 39.4 secs Computing kpt #: 131 total cpu time spent up to now is 39.7 secs Computing kpt #: 132 total cpu time spent up to now is 40.0 secs Computing kpt #: 133 total cpu time spent up to now is 40.3 secs Computing kpt #: 134 total cpu time spent up to now is 40.6 secs Computing kpt #: 135 total cpu time spent up to now is 41.0 secs Computing kpt #: 136 total cpu time spent up to now is 41.3 secs Computing kpt #: 137 total cpu time spent up to now is 41.6 secs Computing kpt #: 138 total cpu time spent up to now is 41.9 secs Computing kpt #: 139 total cpu time spent up to now is 42.2 secs Computing kpt #: 140 total cpu time spent up to now is 42.5 secs Computing kpt #: 141 total cpu time spent up to now is 42.8 secs Computing kpt #: 142 total cpu time spent up to now is 43.1 secs Computing kpt #: 143 total cpu time spent up to now is 43.4 secs Computing kpt #: 144 total cpu time spent up to now is 43.7 secs Computing kpt #: 145 total cpu time spent up to now is 44.1 secs Computing kpt #: 146 total cpu time spent up to now is 44.4 secs Computing kpt #: 147 total cpu time spent up to now is 44.8 secs Computing kpt #: 148 total cpu time spent up to now is 45.3 secs Computing kpt #: 149 total cpu time spent up to now is 45.9 secs Computing kpt #: 150 total cpu time spent up to now is 46.6 secs Computing kpt #: 151 total cpu time spent up to now is 47.0 secs Computing kpt #: 152 total cpu time spent up to now is 47.5 secs Computing kpt #: 153 total cpu time spent up to now is 47.9 secs Computing kpt #: 154 total cpu time spent up to now is 48.4 secs Computing kpt #: 155 total cpu time spent up to now is 48.9 secs Computing kpt #: 156 total cpu time spent up to now is 49.3 secs Computing kpt #: 157 total cpu time spent up to now is 49.8 secs Computing kpt #: 158 total cpu time spent up to now is 50.3 secs Computing kpt #: 159 total cpu time spent up to now is 50.7 secs Computing kpt #: 160 total cpu time spent up to now is 51.2 secs Computing kpt #: 161 total cpu time spent up to now is 51.7 secs Computing kpt #: 162 total cpu time spent up to now is 52.2 secs Computing kpt #: 163 total cpu time spent up to now is 52.7 secs Computing kpt #: 164 total cpu time spent up to now is 53.2 secs Computing kpt #: 165 total cpu time spent up to now is 53.6 secs Computing kpt #: 166 total cpu time spent up to now is 54.1 secs Computing kpt #: 167 total cpu time spent up to now is 54.5 secs Computing kpt #: 168 total cpu time spent up to now is 54.9 secs Computing kpt #: 169 total cpu time spent up to now is 55.3 secs Computing kpt #: 170 total cpu time spent up to now is 55.7 secs Computing kpt #: 171 total cpu time spent up to now is 56.0 secs Computing kpt #: 172 total cpu time spent up to now is 56.3 secs Computing kpt #: 173 total cpu time spent up to now is 56.6 secs Computing kpt #: 174 total cpu time spent up to now is 56.8 secs Computing kpt #: 175 total cpu time spent up to now is 57.1 secs Computing kpt #: 176 total cpu time spent up to now is 57.3 secs Computing kpt #: 177 total cpu time spent up to now is 57.6 secs Computing kpt #: 178 total cpu time spent up to now is 57.9 secs Computing kpt #: 179 total cpu time spent up to now is 58.2 secs Computing kpt #: 180 total cpu time spent up to now is 58.4 secs Computing kpt #: 181 total cpu time spent up to now is 58.7 secs Computing kpt #: 182 total cpu time spent up to now is 59.0 secs Computing kpt #: 183 total cpu time spent up to now is 59.3 secs Computing kpt #: 184 total cpu time spent up to now is 59.5 secs Computing kpt #: 185 total cpu time spent up to now is 59.8 secs Computing kpt #: 186 total cpu time spent up to now is 60.1 secs Computing kpt #: 187 total cpu time spent up to now is 60.3 secs Computing kpt #: 188 total cpu time spent up to now is 60.6 secs Computing kpt #: 189 total cpu time spent up to now is 60.8 secs Computing kpt #: 190 total cpu time spent up to now is 61.1 secs Computing kpt #: 191 total cpu time spent up to now is 61.4 secs Computing kpt #: 192 total cpu time spent up to now is 61.6 secs Computing kpt #: 193 total cpu time spent up to now is 61.9 secs Computing kpt #: 194 total cpu time spent up to now is 62.1 secs Computing kpt #: 195 total cpu time spent up to now is 62.4 secs Computing kpt #: 196 total cpu time spent up to now is 62.6 secs Computing kpt #: 197 total cpu time spent up to now is 62.9 secs Computing kpt #: 198 total cpu time spent up to now is 63.2 secs Computing kpt #: 199 total cpu time spent up to now is 63.4 secs Computing kpt #: 200 total cpu time spent up to now is 63.7 secs Computing kpt #: 201 total cpu time spent up to now is 63.9 secs Computing kpt #: 202 total cpu time spent up to now is 64.2 secs Computing kpt #: 203 total cpu time spent up to now is 64.5 secs Computing kpt #: 204 total cpu time spent up to now is 64.7 secs Computing kpt #: 205 total cpu time spent up to now is 65.4 secs Computing kpt #: 206 total cpu time spent up to now is 65.7 secs Computing kpt #: 207 total cpu time spent up to now is 65.9 secs Computing kpt #: 208 total cpu time spent up to now is 66.2 secs Computing kpt #: 209 total cpu time spent up to now is 66.5 secs Computing kpt #: 210 total cpu time spent up to now is 66.7 secs Computing kpt #: 211 total cpu time spent up to now is 67.0 secs Computing kpt #: 212 total cpu time spent up to now is 67.3 secs Computing kpt #: 213 total cpu time spent up to now is 67.6 secs Computing kpt #: 214 total cpu time spent up to now is 67.9 secs Computing kpt #: 215 total cpu time spent up to now is 68.1 secs Computing kpt #: 216 total cpu time spent up to now is 68.4 secs Computing kpt #: 217 total cpu time spent up to now is 68.7 secs Computing kpt #: 218 total cpu time spent up to now is 68.9 secs Computing kpt #: 219 total cpu time spent up to now is 69.2 secs Computing kpt #: 220 total cpu time spent up to now is 69.5 secs Computing kpt #: 221 total cpu time spent up to now is 69.8 secs Computing kpt #: 222 total cpu time spent up to now is 70.1 secs Computing kpt #: 223 total cpu time spent up to now is 70.5 secs Computing kpt #: 224 total cpu time spent up to now is 70.8 secs Computing kpt #: 225 total cpu time spent up to now is 71.1 secs Computing kpt #: 226 total cpu time spent up to now is 71.4 secs Computing kpt #: 227 total cpu time spent up to now is 71.6 secs Computing kpt #: 228 total cpu time spent up to now is 71.9 secs Computing kpt #: 229 total cpu time spent up to now is 72.2 secs Computing kpt #: 230 total cpu time spent up to now is 72.4 secs Computing kpt #: 231 total cpu time spent up to now is 72.7 secs Computing kpt #: 232 total cpu time spent up to now is 73.0 secs Computing kpt #: 233 total cpu time spent up to now is 73.3 secs Computing kpt #: 234 total cpu time spent up to now is 73.6 secs Computing kpt #: 235 total cpu time spent up to now is 73.9 secs Computing kpt #: 236 total cpu time spent up to now is 74.3 secs Computing kpt #: 237 total cpu time spent up to now is 74.6 secs Computing kpt #: 238 total cpu time spent up to now is 74.8 secs Computing kpt #: 239 total cpu time spent up to now is 75.1 secs Computing kpt #: 240 total cpu time spent up to now is 75.4 secs Computing kpt #: 241 total cpu time spent up to now is 75.6 secs Computing kpt #: 242 total cpu time spent up to now is 75.9 secs Computing kpt #: 243 total cpu time spent up to now is 76.2 secs Computing kpt #: 244 total cpu time spent up to now is 76.5 secs Computing kpt #: 245 total cpu time spent up to now is 76.7 secs Computing kpt #: 246 total cpu time spent up to now is 77.0 secs Computing kpt #: 247 total cpu time spent up to now is 77.3 secs Computing kpt #: 248 total cpu time spent up to now is 77.6 secs Computing kpt #: 249 total cpu time spent up to now is 77.8 secs Computing kpt #: 250 total cpu time spent up to now is 78.1 secs Computing kpt #: 251 total cpu time spent up to now is 78.4 secs Computing kpt #: 252 total cpu time spent up to now is 78.7 secs Computing kpt #: 253 total cpu time spent up to now is 78.9 secs Computing kpt #: 254 total cpu time spent up to now is 79.2 secs Computing kpt #: 255 total cpu time spent up to now is 79.5 secs Computing kpt #: 256 total cpu time spent up to now is 79.8 secs Computing kpt #: 257 total cpu time spent up to now is 80.0 secs Computing kpt #: 258 total cpu time spent up to now is 80.4 secs Computing kpt #: 259 total cpu time spent up to now is 80.8 secs Computing kpt #: 260 total cpu time spent up to now is 81.2 secs Computing kpt #: 261 total cpu time spent up to now is 81.7 secs Computing kpt #: 262 total cpu time spent up to now is 82.1 secs Computing kpt #: 263 total cpu time spent up to now is 82.5 secs Computing kpt #: 264 total cpu time spent up to now is 83.0 secs Computing kpt #: 265 total cpu time spent up to now is 83.4 secs Computing kpt #: 266 total cpu time spent up to now is 83.9 secs Computing kpt #: 267 total cpu time spent up to now is 84.5 secs Computing kpt #: 268 total cpu time spent up to now is 85.0 secs Computing kpt #: 269 total cpu time spent up to now is 85.6 secs Computing kpt #: 270 total cpu time spent up to now is 86.2 secs Computing kpt #: 271 total cpu time spent up to now is 86.9 secs Computing kpt #: 272 total cpu time spent up to now is 87.4 secs Computing kpt #: 273 total cpu time spent up to now is 87.9 secs Computing kpt #: 274 total cpu time spent up to now is 88.4 secs Computing kpt #: 275 total cpu time spent up to now is 88.8 secs Computing kpt #: 276 total cpu time spent up to now is 89.1 secs Computing kpt #: 277 total cpu time spent up to now is 89.4 secs Computing kpt #: 278 total cpu time spent up to now is 89.6 secs Computing kpt #: 279 total cpu time spent up to now is 89.9 secs Computing kpt #: 280 total cpu time spent up to now is 90.1 secs Computing kpt #: 281 total cpu time spent up to now is 90.4 secs Computing kpt #: 282 total cpu time spent up to now is 90.7 secs Computing kpt #: 283 total cpu time spent up to now is 90.9 secs Computing kpt #: 284 total cpu time spent up to now is 91.2 secs Computing kpt #: 285 total cpu time spent up to now is 91.5 secs Computing kpt #: 286 total cpu time spent up to now is 91.7 secs Computing kpt #: 287 total cpu time spent up to now is 92.0 secs Computing kpt #: 288 total cpu time spent up to now is 92.3 secs Computing kpt #: 289 total cpu time spent up to now is 92.5 secs Computing kpt #: 290 total cpu time spent up to now is 92.8 secs Computing kpt #: 291 total cpu time spent up to now is 93.1 secs Computing kpt #: 292 total cpu time spent up to now is 93.3 secs Computing kpt #: 293 total cpu time spent up to now is 93.6 secs Computing kpt #: 294 total cpu time spent up to now is 93.9 secs Computing kpt #: 295 total cpu time spent up to now is 94.1 secs Computing kpt #: 296 total cpu time spent up to now is 94.4 secs Computing kpt #: 297 total cpu time spent up to now is 94.6 secs Computing kpt #: 298 total cpu time spent up to now is 94.9 secs Computing kpt #: 299 total cpu time spent up to now is 95.2 secs Computing kpt #: 300 total cpu time spent up to now is 95.4 secs Computing kpt #: 301 total cpu time spent up to now is 95.7 secs Computing kpt #: 302 total cpu time spent up to now is 96.0 secs Computing kpt #: 303 total cpu time spent up to now is 96.2 secs Computing kpt #: 304 total cpu time spent up to now is 96.5 secs Computing kpt #: 305 total cpu time spent up to now is 96.8 secs Computing kpt #: 306 total cpu time spent up to now is 97.0 secs Computing kpt #: 307 total cpu time spent up to now is 97.3 secs Computing kpt #: 308 total cpu time spent up to now is 97.6 secs Computing kpt #: 309 total cpu time spent up to now is 97.8 secs Computing kpt #: 310 total cpu time spent up to now is 98.1 secs Computing kpt #: 311 total cpu time spent up to now is 98.3 secs Computing kpt #: 312 total cpu time spent up to now is 98.6 secs Computing kpt #: 313 total cpu time spent up to now is 98.9 secs Computing kpt #: 314 total cpu time spent up to now is 99.1 secs Computing kpt #: 315 total cpu time spent up to now is 99.4 secs Computing kpt #: 316 total cpu time spent up to now is 99.6 secs Computing kpt #: 317 total cpu time spent up to now is 99.9 secs Computing kpt #: 318 total cpu time spent up to now is 100.4 secs Computing kpt #: 319 total cpu time spent up to now is 100.7 secs Computing kpt #: 320 total cpu time spent up to now is 101.0 secs Computing kpt #: 321 total cpu time spent up to now is 101.2 secs Computing kpt #: 322 total cpu time spent up to now is 101.5 secs Computing kpt #: 323 total cpu time spent up to now is 101.9 secs Computing kpt #: 324 total cpu time spent up to now is 102.3 secs Computing kpt #: 325 total cpu time spent up to now is 102.7 secs Computing kpt #: 326 total cpu time spent up to now is 103.0 secs Computing kpt #: 327 total cpu time spent up to now is 103.3 secs Computing kpt #: 328 total cpu time spent up to now is 103.6 secs Computing kpt #: 329 total cpu time spent up to now is 103.9 secs Computing kpt #: 330 total cpu time spent up to now is 104.2 secs Computing kpt #: 331 total cpu time spent up to now is 104.5 secs Computing kpt #: 332 total cpu time spent up to now is 104.8 secs Computing kpt #: 333 total cpu time spent up to now is 105.0 secs Computing kpt #: 334 total cpu time spent up to now is 105.3 secs Computing kpt #: 335 total cpu time spent up to now is 105.6 secs Computing kpt #: 336 total cpu time spent up to now is 105.9 secs Computing kpt #: 337 total cpu time spent up to now is 106.2 secs Computing kpt #: 338 total cpu time spent up to now is 106.4 secs Computing kpt #: 339 total cpu time spent up to now is 106.7 secs Computing kpt #: 340 total cpu time spent up to now is 107.0 secs Computing kpt #: 341 total cpu time spent up to now is 107.3 secs Computing kpt #: 342 total cpu time spent up to now is 107.6 secs Computing kpt #: 343 total cpu time spent up to now is 107.8 secs Computing kpt #: 344 total cpu time spent up to now is 108.1 secs Computing kpt #: 345 total cpu time spent up to now is 108.4 secs Computing kpt #: 346 total cpu time spent up to now is 108.7 secs Computing kpt #: 347 total cpu time spent up to now is 108.9 secs Computing kpt #: 348 total cpu time spent up to now is 109.2 secs Computing kpt #: 349 total cpu time spent up to now is 109.5 secs Computing kpt #: 350 total cpu time spent up to now is 109.8 secs Computing kpt #: 351 total cpu time spent up to now is 110.0 secs Computing kpt #: 352 total cpu time spent up to now is 110.4 secs Computing kpt #: 353 total cpu time spent up to now is 110.7 secs Computing kpt #: 354 total cpu time spent up to now is 110.9 secs Computing kpt #: 355 total cpu time spent up to now is 111.3 secs Computing kpt #: 356 total cpu time spent up to now is 111.6 secs Computing kpt #: 357 total cpu time spent up to now is 111.9 secs Computing kpt #: 358 total cpu time spent up to now is 112.1 secs Computing kpt #: 359 total cpu time spent up to now is 112.4 secs Computing kpt #: 360 total cpu time spent up to now is 112.7 secs Computing kpt #: 361 total cpu time spent up to now is 112.9 secs ethr = 2.78E-08, avg # of iterations = 19.8 total cpu time spent up to now is 112.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3163 PWs) bands (ev): -12.7429 -12.7429 -10.8175 -10.8175 -10.4558 -10.4558 -10.4297 -10.4297 -4.6390 -4.6390 -0.5025 -0.5025 0.2982 0.2982 1.9849 1.9849 2.2128 2.2128 2.3656 2.3656 2.9418 2.9418 3.4602 3.4602 3.8699 3.8699 3.8761 3.8761 5.2671 5.2671 5.3121 5.3121 5.5350 5.5350 5.7855 5.7855 6.8863 6.8863 7.0918 7.0918 10.9802 10.9802 12.3862 12.3862 k = 0.0000 0.0152-0.0000 ( 3165 PWs) bands (ev): -12.7422 -12.7422 -10.8204 -10.8204 -10.4548 -10.4548 -10.4288 -10.4288 -4.6371 -4.6371 -0.5058 -0.5058 0.2990 0.2990 1.9817 1.9817 2.2074 2.2074 2.3626 2.3626 2.9520 2.9520 3.4612 3.4612 3.8702 3.8702 3.8764 3.8764 5.2668 5.2668 5.3116 5.3116 5.5387 5.5387 5.7834 5.7834 6.8879 6.8879 7.0933 7.0933 10.9816 10.9816 12.3842 12.3842 k = 0.0000 0.0303-0.0000 ( 3173 PWs) bands (ev): -12.7400 -12.7400 -10.8291 -10.8291 -10.4522 -10.4522 -10.4261 -10.4261 -4.6311 -4.6311 -0.5157 -0.5157 0.3015 0.3015 1.9721 1.9721 2.1920 2.1920 2.3541 2.3541 2.9810 2.9810 3.4639 3.4639 3.8712 3.8712 3.8775 3.8775 5.2658 5.2658 5.3102 5.3102 5.5493 5.5493 5.7773 5.7773 6.8927 6.8927 7.0978 7.0978 10.9857 10.9857 12.3782 12.3782 k = 0.0000 0.0455-0.0000 ( 3177 PWs) bands (ev): -12.7363 -12.7363 -10.8431 -10.8431 -10.4488 -10.4488 -10.4211 -10.4211 -4.6213 -4.6213 -0.5322 -0.5322 0.3056 0.3056 1.9562 1.9562 2.1689 2.1689 2.3415 2.3415 3.0256 3.0256 3.4683 3.4683 3.8726 3.8726 3.8795 3.8795 5.2639 5.2639 5.3088 5.3088 5.5664 5.5664 5.7672 5.7672 6.9006 6.9006 7.1053 7.1053 10.9924 10.9924 12.3684 12.3684 k = 0.0000 0.0606-0.0000 ( 3183 PWs) bands (ev): -12.7312 -12.7312 -10.8617 -10.8617 -10.4453 -10.4453 -10.4139 -10.4139 -4.6075 -4.6075 -0.5552 -0.5552 0.3112 0.3112 1.9342 1.9342 2.1409 2.1409 2.3256 2.3256 3.0817 3.0817 3.4745 3.4745 3.8744 3.8744 3.8825 3.8825 5.2608 5.2608 5.3084 5.3084 5.5888 5.5888 5.7534 5.7534 6.9114 6.9114 7.1158 7.1158 11.0018 11.0018 12.3547 12.3547 k = 0.0000 0.0758-0.0000 ( 3183 PWs) bands (ev): -12.7246 -12.7246 -10.8844 -10.8844 -10.4419 -10.4419 -10.4046 -10.4046 -4.5898 -4.5898 -0.5846 -0.5846 0.3185 0.3185 1.9064 1.9064 2.1105 2.1105 2.3068 2.3068 3.1461 3.1461 3.4822 3.4822 3.8763 3.8763 3.8864 3.8864 5.2567 5.2567 5.3096 5.3096 5.6158 5.6158 5.7365 5.7365 6.9247 6.9247 7.1293 7.1293 11.0139 11.0139 12.3375 12.3375 k = 0.0000 0.0909-0.0000 ( 3183 PWs) bands (ev): -12.7165 -12.7165 -10.9104 -10.9104 -10.4386 -10.4386 -10.3940 -10.3940 -4.5683 -4.5683 -0.6202 -0.6202 0.3274 0.3274 1.8740 1.8740 2.0795 2.0795 2.2853 2.2853 3.2160 3.2160 3.4914 3.4914 3.8785 3.8785 3.8912 3.8912 5.2519 5.2519 5.3127 5.3127 5.6462 5.6462 5.7171 5.7171 6.9403 6.9403 7.1457 7.1457 11.0284 11.0284 12.3169 12.3169 k = 0.0000 0.1061-0.0000 ( 3184 PWs) bands (ev): -12.7071 -12.7071 -10.9393 -10.9393 -10.4353 -10.4353 -10.3826 -10.3826 -4.5430 -4.5430 -0.6619 -0.6619 0.3380 0.3380 1.8382 1.8382 2.0484 2.0484 2.2613 2.2613 3.2892 3.2892 3.5020 3.5020 3.8809 3.8809 3.8968 3.8968 5.2466 5.2466 5.3177 5.3177 5.6752 5.6752 5.6999 5.6999 6.9580 6.9580 7.1650 7.1650 11.0453 11.0453 12.2932 12.2932 k = 0.0000 0.1212-0.0000 ( 3194 PWs) bands (ev): -12.6961 -12.6961 -10.9706 -10.9706 -10.4318 -10.4318 -10.3709 -10.3709 -4.5140 -4.5140 -0.7093 -0.7093 0.3500 0.3500 1.8005 1.8005 2.0175 2.0175 2.2349 2.2349 3.3639 3.3639 3.5142 3.5142 3.8836 3.8836 3.9029 3.9029 5.2413 5.2413 5.3244 5.3244 5.6657 5.6657 5.7220 5.7220 6.9775 6.9775 7.1870 7.1870 11.0645 11.0645 12.2668 12.2668 k = 0.0000 0.1364-0.0000 ( 3206 PWs) bands (ev): -12.6838 -12.6838 -11.0040 -11.0040 -10.4282 -10.4282 -10.3594 -10.3594 -4.4814 -4.4814 -0.7623 -0.7623 0.3637 0.3637 1.7622 1.7622 1.9865 1.9865 2.2062 2.2062 3.4381 3.4381 3.5285 3.5285 3.8865 3.8865 3.9095 3.9095 5.2360 5.2360 5.3328 5.3328 5.6409 5.6409 5.7603 5.7603 6.9986 6.9986 7.2116 7.2116 11.0859 11.0859 12.2381 12.2381 k = 0.0000 0.1515-0.0000 ( 3214 PWs) bands (ev): -12.6700 -12.6700 -11.0392 -11.0392 -10.4243 -10.4243 -10.3482 -10.3482 -4.4451 -4.4451 -0.8205 -0.8205 0.3789 0.3789 1.7243 1.7243 1.9554 1.9554 2.1754 2.1754 3.5059 3.5059 3.5495 3.5495 3.8897 3.8897 3.9165 3.9165 5.2308 5.2308 5.3428 5.3428 5.6147 5.6147 5.8011 5.8011 7.0214 7.0214 7.2384 7.2384 11.1092 11.1092 12.2073 12.2073 k = 0.0000 0.1667-0.0000 ( 3208 PWs) bands (ev): -12.6549 -12.6549 -11.0760 -11.0760 -10.4201 -10.4201 -10.3375 -10.3375 -4.4054 -4.4054 -0.8837 -0.8837 0.3957 0.3957 1.6876 1.6876 1.9239 1.9239 2.1426 2.1426 3.5440 3.5440 3.5995 3.5995 3.8932 3.8932 3.9236 3.9236 5.2259 5.2259 5.3539 5.3539 5.5885 5.5885 5.8435 5.8435 7.0457 7.0457 7.2672 7.2672 11.1341 11.1341 12.1752 12.1752 k = 0.0000 0.1818-0.0000 ( 3210 PWs) bands (ev): -12.6383 -12.6383 -11.1141 -11.1141 -10.4157 -10.4157 -10.3274 -10.3274 -4.3622 -4.3622 -0.9514 -0.9514 0.4140 0.4140 1.6526 1.6526 1.8921 1.8921 2.1082 2.1082 3.5632 3.5632 3.6666 3.6666 3.8969 3.8969 3.9307 3.9307 5.2211 5.2211 5.3653 5.3653 5.5641 5.5641 5.8868 5.8868 7.0716 7.0716 7.2977 7.2977 11.1604 11.1604 12.1421 12.1421 k = 0.0000 0.1970-0.0000 ( 3216 PWs) bands (ev): -12.6204 -12.6204 -11.1533 -11.1533 -10.4110 -10.4110 -10.3182 -10.3182 -4.3157 -4.3157 -1.0233 -1.0233 0.4338 0.4338 1.6195 1.6195 1.8600 1.8600 2.0723 2.0723 3.5804 3.5804 3.7334 3.7334 3.9008 3.9008 3.9379 3.9379 5.2164 5.2164 5.3748 5.3748 5.5441 5.5441 5.9303 5.9303 7.0991 7.0991 7.3296 7.3296 11.1877 11.1877 12.1086 12.1086 k = 0.0000 0.2121-0.0000 ( 3216 PWs) bands (ev): -12.6011 -12.6011 -11.1936 -11.1936 -10.4061 -10.4061 -10.3097 -10.3097 -4.2659 -4.2659 -1.0991 -1.0991 0.4550 0.4550 1.5886 1.5886 1.8277 1.8277 2.0351 2.0351 3.5977 3.5977 3.7967 3.7967 3.9049 3.9049 3.9450 3.9450 5.2118 5.2118 5.3791 5.3791 5.5324 5.5324 5.9737 5.9737 7.1281 7.1281 7.3625 7.3625 11.2153 11.2153 12.0700 12.0700 k = 0.0000 0.2273-0.0000 ( 3212 PWs) bands (ev): -12.5804 -12.5804 -11.2347 -11.2347 -10.4009 -10.4009 -10.3021 -10.3021 -4.2131 -4.2131 -1.1783 -1.1783 0.4777 0.4777 1.5600 1.5600 1.7952 1.7952 1.9969 1.9969 3.6154 3.6154 3.8555 3.8555 3.9093 3.9093 3.9519 3.9519 5.2073 5.2073 5.3744 5.3744 5.5334 5.5334 6.0164 6.0164 7.1588 7.1588 7.3960 7.3960 11.2427 11.2427 12.0195 12.0195 k = 0.0000 0.2424-0.0000 ( 3208 PWs) bands (ev): -12.5585 -12.5585 -11.2766 -11.2766 -10.3955 -10.3955 -10.2953 -10.2953 -4.1571 -4.1571 -1.2606 -1.2606 0.5019 0.5019 1.5336 1.5336 1.7627 1.7627 1.9580 1.9580 3.6336 3.6336 3.9089 3.9089 3.9139 3.9139 3.9588 3.9588 5.2027 5.2027 5.3604 5.3604 5.5478 5.5478 6.0579 6.0579 7.1911 7.1911 7.4299 7.4299 11.2689 11.2689 11.9674 11.9674 k = 0.0000 0.2576-0.0000 ( 3200 PWs) bands (ev): -12.5352 -12.5352 -11.3191 -11.3191 -10.3899 -10.3899 -10.2894 -10.2894 -4.0983 -4.0983 -1.3456 -1.3456 0.5274 0.5274 1.5095 1.5095 1.7301 1.7301 1.9185 1.9185 3.6525 3.6525 3.9184 3.9184 3.9538 3.9538 3.9684 3.9684 5.1980 5.1980 5.3401 5.3401 5.5726 5.5726 6.0977 6.0977 7.2248 7.2248 7.4638 7.4638 11.2929 11.2929 11.9144 11.9144 k = 0.0000 0.2727-0.0000 ( 3200 PWs) bands (ev): -12.5106 -12.5106 -11.3621 -11.3621 -10.3841 -10.3841 -10.2844 -10.2844 -4.0366 -4.0366 -1.4330 -1.4330 0.5543 0.5543 1.4874 1.4874 1.6977 1.6977 1.8789 1.8789 3.6720 3.6720 3.9231 3.9231 3.9681 3.9681 4.0020 4.0020 5.1933 5.1933 5.3170 5.3170 5.6048 5.6048 6.1353 6.1353 7.2600 7.2600 7.4973 7.4973 11.3133 11.3133 11.8609 11.8609 k = 0.0000 0.2879-0.0000 ( 3208 PWs) bands (ev): -12.4848 -12.4848 -11.4055 -11.4055 -10.3782 -10.3782 -10.2802 -10.2802 -3.9722 -3.9722 -1.5224 -1.5224 0.5826 0.5826 1.4672 1.4672 1.6655 1.6655 1.8393 1.8393 3.6922 3.6922 3.9280 3.9280 3.9739 3.9739 4.0375 4.0375 5.1884 5.1884 5.2930 5.2930 5.6424 5.6424 6.1703 6.1703 7.2965 7.2965 7.5302 7.5302 11.3290 11.3290 11.8072 11.8072 k = 0.0000 0.3030-0.0000 ( 3208 PWs) bands (ev): -12.4578 -12.4578 -11.4493 -11.4493 -10.3721 -10.3721 -10.2769 -10.2769 -3.9051 -3.9051 -1.6135 -1.6135 0.6121 0.6121 1.4488 1.4488 1.6335 1.6335 1.8002 1.8002 3.7129 3.7129 3.9329 3.9329 3.9788 3.9788 4.0672 4.0672 5.1834 5.1834 5.2695 5.2695 5.6839 5.6839 6.2023 6.2023 7.3340 7.3340 7.5621 7.5621 11.3387 11.3387 11.7537 11.7537 k = 0.0000 0.3182-0.0000 ( 3216 PWs) bands (ev): -12.4296 -12.4296 -11.4932 -11.4932 -10.3660 -10.3660 -10.2744 -10.2744 -3.8355 -3.8355 -1.7061 -1.7061 0.6429 0.6429 1.4317 1.4317 1.6020 1.6020 1.7620 1.7620 3.7344 3.7344 3.9378 3.9378 3.9830 3.9830 4.0909 4.0909 5.1783 5.1783 5.2470 5.2470 5.7285 5.7285 6.2309 6.2309 7.3723 7.3723 7.5926 7.5926 11.3420 11.3420 11.7008 11.7008 k = 0.0000 0.3333-0.0000 ( 3212 PWs) bands (ev): -12.4002 -12.4002 -11.5373 -11.5373 -10.3598 -10.3598 -10.2727 -10.2727 -3.7635 -3.7635 -1.7998 -1.7998 0.6748 0.6748 1.4155 1.4155 1.5712 1.5712 1.7249 1.7249 3.7564 3.7564 3.9428 3.9428 3.9866 3.9866 4.1085 4.1085 5.1732 5.1732 5.2261 5.2261 5.7753 5.7753 6.2558 6.2558 7.4110 7.4110 7.6215 7.6215 11.3391 11.3391 11.6490 11.6490 k = 0.0000 0.3485-0.0000 ( 3212 PWs) bands (ev): -12.3696 -12.3696 -11.5814 -11.5814 -10.3535 -10.3535 -10.2717 -10.2717 -3.6892 -3.6892 -1.8944 -1.8944 0.7080 0.7080 1.3994 1.3994 1.5416 1.5416 1.6895 1.6895 3.7790 3.7790 3.9477 3.9477 3.9895 3.9895 4.1205 4.1205 5.1679 5.1679 5.2071 5.2071 5.8234 5.8234 6.2767 6.2767 7.4498 7.4498 7.6484 7.6484 11.3309 11.3309 11.5985 11.5985 k = 0.0000 0.3636-0.0000 ( 3210 PWs) bands (ev): -12.3380 -12.3380 -11.6255 -11.6255 -10.3472 -10.3472 -10.2714 -10.2714 -3.6127 -3.6127 -1.9896 -1.9896 0.7422 0.7422 1.3824 1.3824 1.5142 1.5142 1.6560 1.6560 3.8021 3.8021 3.9525 3.9525 3.9919 3.9919 4.1271 4.1271 5.1627 5.1627 5.1903 5.1903 5.8722 5.8722 6.2934 6.2934 7.4881 7.4881 7.6728 7.6728 11.3190 11.3190 11.5499 11.5499 k = 0.0000 0.3788-0.0000 ( 3214 PWs) bands (ev): -12.3052 -12.3052 -11.6695 -11.6695 -10.3409 -10.3409 -10.2718 -10.2718 -3.5341 -3.5341 -2.0853 -2.0853 0.7775 0.7775 1.3628 1.3628 1.4903 1.4903 1.6248 1.6248 3.8256 3.8256 3.9573 3.9573 3.9937 3.9937 4.1287 4.1287 5.1575 5.1575 5.1757 5.1757 5.9210 5.9210 6.3057 6.3057 7.5255 7.5255 7.6946 7.6946 11.3049 11.3049 11.5036 11.5036 k = 0.0000 0.3939-0.0000 ( 3218 PWs) bands (ev): -12.2714 -12.2714 -11.7133 -11.7133 -10.3347 -10.3347 -10.2729 -10.2729 -3.4535 -3.4535 -2.1811 -2.1811 0.8137 0.8137 1.3392 1.3392 1.4714 1.4714 1.5961 1.5961 3.8496 3.8496 3.9619 3.9619 3.9949 3.9949 4.1258 4.1258 5.1524 5.1524 5.1634 5.1634 5.9690 5.9690 6.3135 6.3135 7.5616 7.5616 7.7133 7.7133 11.2904 11.2904 11.4600 11.4600 k = 0.0000 0.4091-0.0000 ( 3220 PWs) bands (ev): -12.2366 -12.2366 -11.7569 -11.7569 -10.3285 -10.3285 -10.2746 -10.2746 -3.3710 -3.3710 -2.2770 -2.2770 0.8508 0.8508 1.3111 1.3111 1.4582 1.4582 1.5699 1.5699 3.8738 3.8738 3.9664 3.9664 3.9956 3.9956 4.1188 4.1188 5.1474 5.1474 5.1533 5.1533 6.0157 6.0157 6.3167 6.3167 7.5957 7.5957 7.7286 7.7286 11.2767 11.2767 11.4196 11.4196 k = 0.0000 0.4242-0.0000 ( 3216 PWs) bands (ev): -12.2009 -12.2009 -11.8001 -11.8001 -10.3225 -10.3225 -10.2769 -10.2769 -3.2868 -3.2868 -2.3727 -2.3727 0.8888 0.8888 1.2788 1.2788 1.4502 1.4502 1.5463 1.5463 3.8982 3.8982 3.9706 3.9706 3.9958 3.9958 4.1083 4.1083 5.1424 5.1424 5.1457 5.1457 6.0604 6.0604 6.3153 6.3153 7.6275 7.6275 7.7403 7.7403 11.2651 11.2651 11.3828 11.3828 k = 0.0000 0.4394-0.0000 ( 3216 PWs) bands (ev): -12.1642 -12.1642 -11.8429 -11.8429 -10.3167 -10.3167 -10.2797 -10.2797 -3.2008 -3.2008 -2.4680 -2.4680 0.9275 0.9275 1.2434 1.2434 1.4468 1.4468 1.5253 1.5253 3.9225 3.9225 3.9746 3.9746 3.9954 3.9954 4.0947 4.0947 5.1375 5.1375 5.1403 5.1403 6.1027 6.1027 6.3092 6.3092 7.6565 7.6565 7.7480 7.7480 11.2565 11.2565 11.3499 11.3499 k = 0.0000 0.4545-0.0000 ( 3208 PWs) bands (ev): -12.1266 -12.1266 -11.8853 -11.8853 -10.3110 -10.3110 -10.2830 -10.2830 -3.1134 -3.1134 -2.5629 -2.5629 0.9668 0.9668 1.2058 1.2058 1.4471 1.4471 1.5067 1.5067 3.9467 3.9467 3.9783 3.9783 3.9947 3.9947 4.0785 4.0785 5.1336 5.1336 5.1364 5.1364 6.1421 6.1421 6.2984 6.2984 7.6821 7.6821 7.7515 7.7515 11.2517 11.2517 11.3214 11.3214 k = 0.0000 0.4697-0.0000 ( 3210 PWs) bands (ev): -12.0882 -12.0882 -11.9271 -11.9271 -10.3055 -10.3055 -10.2867 -10.2867 -3.0245 -3.0245 -2.6571 -2.6571 1.0066 1.0066 1.1669 1.1669 1.4505 1.4505 1.4906 1.4906 3.9699 3.9699 3.9817 3.9817 3.9941 3.9941 4.0602 4.0602 5.1310 5.1310 5.1333 5.1333 6.1781 6.1781 6.2831 6.2831 7.7042 7.7042 7.7508 7.7508 11.2511 11.2511 11.2974 11.2974 k = 0.0000 0.4848-0.0000 ( 3218 PWs) bands (ev): -12.0490 -12.0490 -11.9684 -11.9684 -10.3003 -10.3003 -10.2909 -10.2909 -2.9343 -2.9343 -2.7505 -2.7505 1.0467 1.0467 1.1271 1.1271 1.4568 1.4568 1.4769 1.4769 3.9846 3.9846 3.9863 3.9863 3.9993 3.9993 4.0401 4.0401 5.1298 5.1298 5.1311 5.1311 6.2105 6.2105 6.2632 6.2632 7.7222 7.7222 7.7457 7.7457 11.2553 11.2553 11.2784 11.2784 k = 0.0000 0.5000-0.0000 ( 3216 PWs) bands (ev): -12.0092 -12.0092 -12.0088 -12.0088 -10.2957 -10.2957 -10.2952 -10.2952 -2.8430 -2.8430 -2.8429 -2.8429 1.0868 1.0868 1.0871 1.0871 1.4655 1.4655 1.4656 1.4656 3.9867 3.9867 3.9872 3.9872 4.0189 4.0189 4.0190 4.0190 5.1299 5.1299 5.1299 5.1299 6.2387 6.2387 6.2391 6.2391 7.7361 7.7361 7.7361 7.7361 11.2643 11.2643 11.2644 11.2644 k = 0.0000 0.5000-0.0000 ( 3216 PWs) bands (ev): -12.0092 -12.0092 -12.0088 -12.0088 -10.2957 -10.2957 -10.2952 -10.2952 -2.8430 -2.8430 -2.8429 -2.8429 1.0868 1.0868 1.0871 1.0871 1.4655 1.4655 1.4656 1.4656 3.9867 3.9867 3.9872 3.9872 4.0189 4.0189 4.0190 4.0190 5.1299 5.1299 5.1299 5.1299 6.2387 6.2387 6.2391 6.2391 7.7361 7.7361 7.7361 7.7361 11.2643 11.2643 11.2644 11.2644 k = 0.0152 0.5000-0.0000 ( 3216 PWs) bands (ev): -12.0089 -12.0089 -12.0085 -12.0085 -10.2962 -10.2962 -10.2957 -10.2957 -2.8431 -2.8431 -2.8430 -2.8430 1.0871 1.0871 1.0874 1.0874 1.4668 1.4668 1.4669 1.4669 3.9861 3.9861 3.9866 3.9866 4.0179 4.0179 4.0180 4.0180 5.1304 5.1304 5.1305 5.1305 6.2362 6.2362 6.2366 6.2366 7.7375 7.7375 7.7375 7.7375 11.2660 11.2660 11.2661 11.2661 k = 0.0303 0.5000-0.0000 ( 3212 PWs) bands (ev): -12.0078 -12.0078 -12.0074 -12.0074 -10.2977 -10.2977 -10.2972 -10.2972 -2.8434 -2.8434 -2.8433 -2.8433 1.0880 1.0880 1.0883 1.0883 1.4707 1.4707 1.4708 1.4708 3.9845 3.9845 3.9850 3.9850 4.0148 4.0148 4.0149 4.0149 5.1320 5.1320 5.1321 5.1321 6.2287 6.2287 6.2291 6.2291 7.7416 7.7416 7.7416 7.7416 11.2713 11.2713 11.2714 11.2714 k = 0.0455 0.5000-0.0000 ( 3212 PWs) bands (ev): -12.0061 -12.0061 -12.0057 -12.0057 -10.3002 -10.3002 -10.2998 -10.2998 -2.8439 -2.8439 -2.8438 -2.8438 1.0895 1.0895 1.0898 1.0898 1.4771 1.4771 1.4772 1.4772 3.9819 3.9819 3.9824 3.9824 4.0098 4.0098 4.0099 4.0099 5.1346 5.1346 5.1347 5.1347 6.2162 6.2162 6.2166 6.2166 7.7484 7.7484 7.7484 7.7484 11.2799 11.2799 11.2800 11.2800 k = 0.0606 0.5000-0.0000 ( 3216 PWs) bands (ev): -12.0037 -12.0037 -12.0033 -12.0033 -10.3037 -10.3037 -10.3033 -10.3033 -2.8447 -2.8447 -2.8446 -2.8446 1.0916 1.0916 1.0919 1.0919 1.4861 1.4861 1.4862 1.4862 3.9782 3.9782 3.9787 3.9787 4.0029 4.0029 4.0030 4.0030 5.1381 5.1381 5.1383 5.1383 6.1988 6.1988 6.1993 6.1993 7.7579 7.7579 7.7579 7.7579 11.2918 11.2918 11.2919 11.2919 k = 0.0758 0.5000-0.0000 ( 3218 PWs) bands (ev): -12.0006 -12.0006 -12.0002 -12.0002 -10.3082 -10.3082 -10.3077 -10.3077 -2.8456 -2.8456 -2.8455 -2.8455 1.0943 1.0943 1.0946 1.0946 1.4975 1.4975 1.4976 1.4976 3.9733 3.9733 3.9737 3.9737 3.9946 3.9946 3.9947 3.9947 5.1426 5.1426 5.1428 5.1428 6.1767 6.1767 6.1771 6.1771 7.7700 7.7700 7.7700 7.7700 11.3069 11.3069 11.3070 11.3070 k = 0.0909 0.5000-0.0000 ( 3218 PWs) bands (ev): -11.9969 -11.9969 -11.9965 -11.9965 -10.3136 -10.3136 -10.3131 -10.3131 -2.8468 -2.8468 -2.8467 -2.8467 1.0974 1.0974 1.0978 1.0978 1.5113 1.5113 1.5114 1.5114 3.9671 3.9671 3.9675 3.9675 3.9851 3.9851 3.9852 3.9852 5.1478 5.1478 5.1480 5.1480 6.1499 6.1499 6.1503 6.1503 7.7846 7.7846 7.7846 7.7846 11.3250 11.3250 11.3251 11.3251 k = 0.1061 0.5000-0.0000 ( 3226 PWs) bands (ev): -11.9926 -11.9926 -11.9922 -11.9922 -10.3198 -10.3198 -10.3194 -10.3194 -2.8481 -2.8481 -2.8480 -2.8480 1.1011 1.1011 1.1014 1.1014 1.5274 1.5274 1.5275 1.5275 3.9593 3.9593 3.9596 3.9596 3.9751 3.9751 3.9753 3.9753 5.1537 5.1537 5.1540 5.1540 6.1187 6.1187 6.1191 6.1191 7.8017 7.8017 7.8017 7.8017 11.3458 11.3458 11.3459 11.3459 k = 0.1212 0.5000-0.0000 ( 3208 PWs) bands (ev): -11.9876 -11.9876 -11.9872 -11.9872 -10.3270 -10.3270 -10.3265 -10.3265 -2.8495 -2.8495 -2.8494 -2.8494 1.1052 1.1052 1.1055 1.1055 1.5457 1.5457 1.5459 1.5459 3.9495 3.9495 3.9498 3.9498 3.9651 3.9651 3.9654 3.9654 5.1602 5.1602 5.1605 5.1605 6.0832 6.0832 6.0836 6.0836 7.8210 7.8210 7.8210 7.8210 11.3691 11.3691 11.3692 11.3692 k = 0.1364 0.5000-0.0000 ( 3200 PWs) bands (ev): -11.9821 -11.9821 -11.9817 -11.9817 -10.3349 -10.3349 -10.3344 -10.3344 -2.8511 -2.8511 -2.8510 -2.8510 1.1097 1.1097 1.1100 1.1100 1.5661 1.5661 1.5663 1.5663 3.9379 3.9379 3.9380 3.9380 3.9556 3.9556 3.9560 3.9560 5.1671 5.1671 5.1674 5.1674 6.0437 6.0437 6.0441 6.0441 7.8425 7.8425 7.8425 7.8425 11.3946 11.3946 11.3947 11.3947 k = 0.1515 0.5000-0.0000 ( 3200 PWs) bands (ev): -11.9761 -11.9761 -11.9757 -11.9757 -10.3436 -10.3436 -10.3431 -10.3431 -2.8528 -2.8528 -2.8527 -2.8527 1.1146 1.1146 1.1149 1.1149 1.5885 1.5885 1.5886 1.5886 3.9248 3.9248 3.9250 3.9250 3.9462 3.9462 3.9466 3.9466 5.1744 5.1744 5.1748 5.1748 6.0005 6.0005 6.0009 6.0009 7.8658 7.8658 7.8659 7.8659 11.4221 11.4221 11.4222 11.4222 k = 0.1667 0.5000-0.0000 ( 3200 PWs) bands (ev): -11.9695 -11.9695 -11.9691 -11.9691 -10.3529 -10.3529 -10.3524 -10.3524 -2.8546 -2.8546 -2.8545 -2.8545 1.1197 1.1197 1.1201 1.1201 1.6126 1.6126 1.6127 1.6127 3.9111 3.9111 3.9113 3.9113 3.9368 3.9368 3.9372 3.9372 5.1819 5.1819 5.1823 5.1823 5.9539 5.9539 5.9543 5.9543 7.8909 7.8909 7.8910 7.8910 11.4513 11.4513 11.4514 11.4514 k = 0.1818 0.5000-0.0000 ( 3192 PWs) bands (ev): -11.9626 -11.9626 -11.9621 -11.9621 -10.3628 -10.3628 -10.3623 -10.3623 -2.8565 -2.8565 -2.8564 -2.8564 1.1252 1.1252 1.1255 1.1255 1.6382 1.6382 1.6384 1.6384 3.8972 3.8972 3.8974 3.8974 3.9271 3.9271 3.9275 3.9275 5.1895 5.1895 5.1899 5.1899 5.9043 5.9043 5.9047 5.9047 7.9175 7.9175 7.9175 7.9175 11.4818 11.4818 11.4820 11.4820 k = 0.1970 0.5000-0.0000 ( 3194 PWs) bands (ev): -11.9552 -11.9552 -11.9547 -11.9547 -10.3733 -10.3733 -10.3728 -10.3728 -2.8584 -2.8584 -2.8583 -2.8583 1.1308 1.1308 1.1312 1.1312 1.6653 1.6653 1.6654 1.6654 3.8835 3.8835 3.8837 3.8837 3.9171 3.9171 3.9176 3.9176 5.1971 5.1971 5.1975 5.1975 5.8519 5.8519 5.8523 5.8523 7.9452 7.9452 7.9453 7.9453 11.5135 11.5135 11.5136 11.5136 k = 0.2121 0.5000-0.0000 ( 3198 PWs) bands (ev): -11.9475 -11.9475 -11.9470 -11.9470 -10.3842 -10.3842 -10.3837 -10.3837 -2.8604 -2.8604 -2.8603 -2.8603 1.1366 1.1366 1.1370 1.1370 1.6935 1.6935 1.6936 1.6936 3.8704 3.8704 3.8705 3.8705 3.9069 3.9069 3.9074 3.9074 5.2046 5.2046 5.2050 5.2050 5.7973 5.7973 5.7977 5.7977 7.9739 7.9739 7.9739 7.9739 11.5459 11.5459 11.5460 11.5460 k = 0.2273 0.5000-0.0000 ( 3202 PWs) bands (ev): -11.9394 -11.9394 -11.9390 -11.9390 -10.3955 -10.3955 -10.3950 -10.3950 -2.8624 -2.8624 -2.8623 -2.8623 1.1426 1.1426 1.1430 1.1430 1.7226 1.7226 1.7227 1.7227 3.8581 3.8581 3.8582 3.8582 3.8965 3.8965 3.8970 3.8970 5.2117 5.2117 5.2122 5.2122 5.7409 5.7409 5.7413 5.7413 8.0032 8.0032 8.0033 8.0033 11.5788 11.5788 11.5790 11.5790 k = 0.2424 0.5000-0.0000 ( 3192 PWs) bands (ev): -11.9312 -11.9312 -11.9308 -11.9308 -10.4070 -10.4070 -10.4065 -10.4065 -2.8643 -2.8643 -2.8642 -2.8642 1.1486 1.1486 1.1490 1.1490 1.7524 1.7524 1.7525 1.7525 3.8469 3.8469 3.8470 3.8470 3.8860 3.8860 3.8865 3.8865 5.2184 5.2184 5.2189 5.2189 5.6832 5.6832 5.6836 5.6836 8.0329 8.0329 8.0330 8.0330 11.6120 11.6120 11.6121 11.6121 k = 0.2576 0.5000-0.0000 ( 3192 PWs) bands (ev): -11.9228 -11.9228 -11.9224 -11.9224 -10.4187 -10.4187 -10.4182 -10.4182 -2.8663 -2.8663 -2.8662 -2.8662 1.1546 1.1546 1.1550 1.1550 1.7825 1.7825 1.7826 1.7826 3.8371 3.8371 3.8372 3.8372 3.8755 3.8755 3.8760 3.8760 5.2244 5.2244 5.2249 5.2249 5.6247 5.6247 5.6251 5.6251 8.0627 8.0627 8.0628 8.0628 11.6451 11.6451 11.6452 11.6452 k = 0.2727 0.5000-0.0000 ( 3194 PWs) bands (ev): -11.9143 -11.9143 -11.9139 -11.9139 -10.4305 -10.4305 -10.4300 -10.4300 -2.8682 -2.8682 -2.8681 -2.8681 1.1607 1.1607 1.1610 1.1610 1.8127 1.8127 1.8128 1.8128 3.8288 3.8288 3.8289 3.8289 3.8651 3.8651 3.8656 3.8656 5.2292 5.2292 5.2297 5.2297 5.5662 5.5662 5.5666 5.5666 8.0923 8.0923 8.0923 8.0923 11.6778 11.6778 11.6779 11.6779 k = 0.2879 0.5000-0.0000 ( 3198 PWs) bands (ev): -11.9058 -11.9058 -11.9054 -11.9054 -10.4422 -10.4422 -10.4417 -10.4417 -2.8701 -2.8701 -2.8700 -2.8700 1.1666 1.1666 1.1670 1.1670 1.8427 1.8427 1.8429 1.8429 3.8222 3.8222 3.8223 3.8223 3.8549 3.8549 3.8554 3.8554 5.2323 5.2323 5.2328 5.2328 5.5088 5.5088 5.5092 5.5092 8.1214 8.1214 8.1214 8.1214 11.7099 11.7099 11.7101 11.7101 k = 0.3030 0.5000-0.0000 ( 3194 PWs) bands (ev): -11.8974 -11.8974 -11.8969 -11.8969 -10.4538 -10.4538 -10.4533 -10.4533 -2.8719 -2.8719 -2.8718 -2.8718 1.1724 1.1724 1.1728 1.1728 1.8723 1.8723 1.8724 1.8724 3.8173 3.8173 3.8174 3.8174 3.8451 3.8451 3.8456 3.8456 5.2324 5.2324 5.2328 5.2328 5.4541 5.4541 5.4544 5.4544 8.1497 8.1497 8.1498 8.1498 11.7412 11.7412 11.7413 11.7413 k = 0.3182 0.5000-0.0000 ( 3194 PWs) bands (ev): -11.8891 -11.8891 -11.8886 -11.8886 -10.4652 -10.4652 -10.4646 -10.4646 -2.8736 -2.8736 -2.8735 -2.8735 1.1781 1.1781 1.1784 1.1784 1.9010 1.9010 1.9011 1.9011 3.8141 3.8141 3.8141 3.8141 3.8362 3.8362 3.8366 3.8366 5.2271 5.2271 5.2274 5.2274 5.4049 5.4049 5.4052 5.4052 8.1770 8.1770 8.1771 8.1771 11.7713 11.7713 11.7715 11.7715 k = 0.3333 0.5000-0.0000 ( 3186 PWs) bands (ev): -11.8811 -11.8811 -11.8806 -11.8806 -10.4761 -10.4761 -10.4756 -10.4756 -2.8752 -2.8752 -2.8751 -2.8751 1.1835 1.1835 1.1839 1.1839 1.9286 1.9286 1.9287 1.9287 3.8116 3.8116 3.8118 3.8118 3.8288 3.8288 3.8292 3.8292 5.2122 5.2122 5.2126 5.2126 5.3657 5.3657 5.3661 5.3661 8.2031 8.2031 8.2032 8.2032 11.8001 11.8001 11.8003 11.8003 k = 0.3485 0.5000-0.0000 ( 3182 PWs) bands (ev): -11.8733 -11.8733 -11.8729 -11.8729 -10.4866 -10.4866 -10.4861 -10.4861 -2.8767 -2.8767 -2.8766 -2.8766 1.1886 1.1886 1.1890 1.1890 1.9548 1.9548 1.9549 1.9549 3.8081 3.8081 3.8085 3.8085 3.8251 3.8251 3.8252 3.8252 5.1845 5.1845 5.1848 5.1848 5.3405 5.3405 5.3410 5.3410 8.2277 8.2277 8.2278 8.2278 11.8273 11.8273 11.8275 11.8275 k = 0.3636 0.5000-0.0000 ( 3174 PWs) bands (ev): -11.8660 -11.8660 -11.8655 -11.8655 -10.4966 -10.4966 -10.4960 -10.4960 -2.8780 -2.8780 -2.8779 -2.8779 1.1934 1.1934 1.1938 1.1938 1.9794 1.9794 1.9795 1.9795 3.8024 3.8024 3.8029 3.8029 3.8260 3.8260 3.8260 3.8260 5.1458 5.1458 5.1462 5.1462 5.3279 5.3279 5.3284 5.3284 8.2506 8.2506 8.2507 8.2507 11.8526 11.8526 11.8528 11.8528 k = 0.3788 0.5000-0.0000 ( 3174 PWs) bands (ev): -11.8592 -11.8592 -11.8587 -11.8587 -10.5058 -10.5058 -10.5052 -10.5052 -2.8793 -2.8793 -2.8792 -2.8792 1.1978 1.1978 1.1982 1.1982 2.0021 2.0021 2.0022 2.0022 3.7958 3.7958 3.7964 3.7964 3.8301 3.8301 3.8302 3.8302 5.1020 5.1020 5.1024 5.1024 5.3227 5.3227 5.3232 5.3232 8.2717 8.2717 8.2718 8.2718 11.8759 11.8759 11.8761 11.8761 k = 0.3939 0.5000-0.0000 ( 3170 PWs) bands (ev): -11.8529 -11.8529 -11.8524 -11.8524 -10.5142 -10.5142 -10.5136 -10.5136 -2.8804 -2.8804 -2.8803 -2.8803 1.2019 1.2019 1.2023 1.2023 2.0226 2.0226 2.0227 2.0227 3.7894 3.7894 3.7899 3.7899 3.8363 3.8363 3.8363 3.8363 5.0574 5.0574 5.0578 5.0578 5.3212 5.3212 5.3217 5.3217 8.2907 8.2907 8.2908 8.2908 11.8970 11.8970 11.8972 11.8972 k = 0.4091 0.5000-0.0000 ( 3170 PWs) bands (ev): -11.8473 -11.8473 -11.8468 -11.8468 -10.5217 -10.5217 -10.5211 -10.5211 -2.8814 -2.8814 -2.8813 -2.8813 1.2054 1.2054 1.2058 1.2058 2.0408 2.0408 2.0409 2.0409 3.7834 3.7834 3.7840 3.7840 3.8437 3.8437 3.8438 3.8438 5.0147 5.0147 5.0152 5.0152 5.3213 5.3213 5.3219 5.3219 8.3074 8.3074 8.3075 8.3075 11.9157 11.9157 11.9158 11.9158 k = 0.4242 0.5000-0.0000 ( 3172 PWs) bands (ev): -11.8424 -11.8424 -11.8419 -11.8419 -10.5282 -10.5282 -10.5276 -10.5276 -2.8822 -2.8822 -2.8822 -2.8822 1.2085 1.2085 1.2089 1.2089 2.0565 2.0565 2.0565 2.0565 3.7782 3.7782 3.7788 3.7788 3.8517 3.8517 3.8517 3.8517 4.9758 4.9758 4.9763 4.9763 5.3223 5.3223 5.3229 5.3229 8.3218 8.3218 8.3219 8.3219 11.9317 11.9317 11.9319 11.9319 k = 0.4394 0.5000-0.0000 ( 3172 PWs) bands (ev): -11.8383 -11.8383 -11.8378 -11.8378 -10.5337 -10.5337 -10.5331 -10.5331 -2.8829 -2.8829 -2.8828 -2.8828 1.2111 1.2111 1.2115 1.2115 2.0695 2.0695 2.0695 2.0695 3.7738 3.7738 3.7744 3.7744 3.8596 3.8596 3.8596 3.8596 4.9420 4.9420 4.9425 4.9425 5.3234 5.3234 5.3240 5.3240 8.3338 8.3338 8.3339 8.3339 11.9451 11.9451 11.9452 11.9452 k = 0.4545 0.5000-0.0000 ( 3164 PWs) bands (ev): -11.8351 -11.8351 -11.8346 -11.8346 -10.5380 -10.5380 -10.5374 -10.5374 -2.8835 -2.8835 -2.8834 -2.8834 1.2131 1.2131 1.2135 1.2135 2.0797 2.0797 2.0798 2.0798 3.7704 3.7704 3.7709 3.7709 3.8667 3.8667 3.8668 3.8668 4.9144 4.9144 4.9148 4.9148 5.3245 5.3245 5.3251 5.3251 8.3432 8.3432 8.3433 8.3433 11.9556 11.9556 11.9558 11.9558 k = 0.4697 0.5000-0.0000 ( 3152 PWs) bands (ev): -11.8327 -11.8327 -11.8322 -11.8322 -10.5411 -10.5411 -10.5405 -10.5405 -2.8839 -2.8839 -2.8838 -2.8838 1.2146 1.2146 1.2150 1.2150 2.0871 2.0871 2.0871 2.0871 3.7679 3.7679 3.7684 3.7684 3.8724 3.8724 3.8724 3.8724 4.8939 4.8939 4.8944 4.8944 5.3254 5.3254 5.3260 5.3260 8.3499 8.3499 8.3500 8.3500 11.9632 11.9632 11.9633 11.9633 k = 0.4848 0.5000-0.0000 ( 3144 PWs) bands (ev): -11.8313 -11.8313 -11.8308 -11.8308 -10.5430 -10.5430 -10.5424 -10.5424 -2.8841 -2.8841 -2.8840 -2.8840 1.2155 1.2155 1.2159 1.2159 2.0915 2.0915 2.0916 2.0916 3.7663 3.7663 3.7669 3.7669 3.8760 3.8760 3.8761 3.8761 4.8813 4.8813 4.8817 4.8817 5.3259 5.3259 5.3266 5.3266 8.3540 8.3540 8.3541 8.3541 11.9678 11.9678 11.9679 11.9679 k = 0.5000 0.5000-0.0000 ( 3140 PWs) bands (ev): -11.8308 -11.8308 -11.8303 -11.8303 -10.5437 -10.5437 -10.5430 -10.5430 -2.8842 -2.8842 -2.8841 -2.8841 1.2157 1.2157 1.2162 1.2162 2.0930 2.0930 2.0930 2.0930 3.7658 3.7658 3.7664 3.7664 3.8773 3.8773 3.8774 3.8774 4.8770 4.8770 4.8775 4.8775 5.3261 5.3261 5.3267 5.3267 8.3554 8.3554 8.3555 8.3555 11.9693 11.9693 11.9695 11.9695 k = 0.5000 0.5000-0.0000 ( 3140 PWs) bands (ev): -11.8308 -11.8308 -11.8303 -11.8303 -10.5437 -10.5437 -10.5430 -10.5430 -2.8842 -2.8842 -2.8841 -2.8841 1.2157 1.2157 1.2162 1.2162 2.0930 2.0930 2.0930 2.0930 3.7658 3.7658 3.7664 3.7664 3.8773 3.8773 3.8774 3.8774 4.8770 4.8770 4.8775 4.8775 5.3261 5.3261 5.3267 5.3267 8.3554 8.3554 8.3555 8.3555 11.9693 11.9693 11.9695 11.9695 k = 0.4894 0.4894-0.0000 ( 3144 PWs) bands (ev): -11.8324 -11.8324 -11.8297 -11.8297 -10.5435 -10.5435 -10.5419 -10.5419 -2.8860 -2.8860 -2.8821 -2.8821 1.2145 1.2145 1.2169 1.2169 2.0901 2.0901 2.0930 2.0930 3.7659 3.7659 3.7673 3.7673 3.8750 3.8750 3.8771 3.8771 4.8772 4.8772 4.8857 4.8857 5.3256 5.3256 5.3269 5.3269 8.3534 8.3534 8.3548 8.3548 11.9663 11.9663 11.9695 11.9695 k = 0.4787 0.4787-0.0000 ( 3158 PWs) bands (ev): -11.8373 -11.8373 -11.8275 -11.8275 -10.5432 -10.5432 -10.5385 -10.5385 -2.8917 -2.8917 -2.8759 -2.8759 1.2103 1.2103 1.2193 1.2193 2.0813 2.0813 2.0931 2.0931 3.7663 3.7663 3.7699 3.7699 3.8684 3.8684 3.8767 3.8767 4.8775 4.8775 4.9100 4.9100 5.3237 5.3237 5.3277 5.3277 8.3475 8.3475 8.3526 8.3526 11.9567 11.9567 11.9699 11.9699 k = 0.4681 0.4681-0.0000 ( 3162 PWs) bands (ev): -11.8455 -11.8455 -11.8239 -11.8239 -10.5427 -10.5427 -10.5330 -10.5330 -2.9012 -2.9012 -2.8657 -2.8657 1.2033 1.2033 1.2234 1.2234 2.0669 2.0669 2.0933 2.0933 3.7669 3.7669 3.7742 3.7742 3.8586 3.8586 3.8759 3.8759 4.8781 4.8781 4.9490 4.9490 5.3205 5.3205 5.3290 5.3290 8.3378 8.3378 8.3489 8.3489 11.9410 11.9410 11.9707 11.9707 k = 0.4574 0.4574-0.0000 ( 3166 PWs) bands (ev): -11.8568 -11.8568 -11.8188 -11.8188 -10.5419 -10.5419 -10.5254 -10.5254 -2.9143 -2.9143 -2.8514 -2.8514 1.1937 1.1937 1.2291 1.2291 2.0474 2.0474 2.0935 2.0935 3.7677 3.7677 3.7801 3.7801 3.8469 3.8469 3.8749 3.8749 4.8790 4.8790 5.0008 5.0008 5.3161 5.3161 5.3309 5.3309 8.3243 8.3243 8.3438 8.3438 11.9192 11.9192 11.9717 11.9717 k = 0.4468 0.4468-0.0000 ( 3174 PWs) bands (ev): -11.8710 -11.8710 -11.8123 -11.8123 -10.5409 -10.5409 -10.5160 -10.5160 -2.9312 -2.9312 -2.8331 -2.8331 1.1815 1.1815 1.2365 1.2365 2.0231 2.0231 2.0938 2.0938 3.7687 3.7687 3.7874 3.7874 3.8347 3.8347 3.8735 3.8735 4.8801 4.8801 5.0632 5.0632 5.3106 5.3106 5.3333 5.3333 8.3071 8.3071 8.3371 8.3371 11.8916 11.8916 11.9729 11.9729 k = 0.4362 0.4362-0.0000 ( 3172 PWs) bands (ev): -11.8878 -11.8878 -11.8044 -11.8044 -10.5397 -10.5397 -10.5050 -10.5050 -2.9517 -2.9517 -2.8107 -2.8107 1.1668 1.1668 1.2454 1.2454 1.9946 1.9946 2.0941 2.0941 3.7700 3.7700 3.7957 3.7957 3.8236 3.8236 3.8719 3.8719 4.8816 4.8816 5.1341 5.1341 5.3040 5.3040 5.3363 5.3363 8.2864 8.2864 8.3288 8.3288 11.8585 11.8585 11.9743 11.9743 k = 0.4255 0.4255-0.0000 ( 3172 PWs) bands (ev): -11.9071 -11.9071 -11.7950 -11.7950 -10.5383 -10.5383 -10.4926 -10.4926 -2.9758 -2.9758 -2.7843 -2.7843 1.1499 1.1499 1.2558 1.2558 1.9628 1.9628 2.0945 2.0945 3.7715 3.7715 3.8030 3.8030 3.8160 3.8160 3.8701 3.8701 4.8836 4.8836 5.2113 5.2113 5.2966 5.2966 5.3398 5.3398 8.2624 8.2624 8.3189 8.3189 11.8205 11.8205 11.9757 11.9757 k = 0.4149 0.4149-0.0000 ( 3172 PWs) bands (ev): -11.9285 -11.9285 -11.7843 -11.7843 -10.5367 -10.5367 -10.4791 -10.4791 -3.0034 -3.0034 -2.7540 -2.7540 1.1308 1.1308 1.2678 1.2678 1.9283 1.9283 2.0950 2.0950 3.7732 3.7732 3.8011 3.8011 3.8205 3.8205 3.8680 3.8680 4.8860 4.8860 5.2852 5.2852 5.2958 5.2958 5.3443 5.3443 8.2351 8.2351 8.3074 8.3074 11.7780 11.7780 11.9771 11.9771 k = 0.4043 0.4043-0.0000 ( 3172 PWs) bands (ev): -11.9519 -11.9519 -11.7722 -11.7722 -10.5349 -10.5349 -10.4646 -10.4646 -3.0343 -3.0343 -2.7198 -2.7198 1.1097 1.1097 1.2812 1.2812 1.8918 1.8918 2.0956 2.0956 3.7750 3.7750 3.7960 3.7960 3.8310 3.8310 3.8660 3.8660 4.8890 4.8890 5.2787 5.2787 5.3452 5.3452 5.3820 5.3820 8.2048 8.2048 8.2942 8.2942 11.7319 11.7319 11.9782 11.9782 k = 0.3936 0.3936-0.0000 ( 3170 PWs) bands (ev): -11.9769 -11.9769 -11.7587 -11.7587 -10.5330 -10.5330 -10.4495 -10.4495 -3.0686 -3.0686 -2.6818 -2.6818 1.0868 1.0868 1.2960 1.2960 1.8541 1.8541 2.0962 2.0962 3.7771 3.7771 3.7923 3.7923 3.8422 3.8422 3.8645 3.8645 4.8927 4.8927 5.2691 5.2691 5.3511 5.3511 5.4677 5.4677 8.1718 8.1718 8.2792 8.2792 11.6828 11.6828 11.9789 11.9789 k = 0.3830 0.3830-0.0000 ( 3174 PWs) bands (ev): -12.0034 -12.0034 -11.7438 -11.7438 -10.5308 -10.5308 -10.4341 -10.4341 -3.1059 -3.1059 -2.6400 -2.6400 1.0624 1.0624 1.3121 1.3121 1.8161 1.8161 2.0970 2.0970 3.7794 3.7794 3.7905 3.7905 3.8504 3.8504 3.8663 3.8663 4.8971 4.8971 5.2591 5.2591 5.3562 5.3562 5.5549 5.5549 8.1361 8.1361 8.2624 8.2624 11.6317 11.6317 11.9790 11.9790 k = 0.3723 0.3723-0.0000 ( 3182 PWs) bands (ev): -12.0311 -12.0311 -11.7276 -11.7276 -10.5285 -10.5285 -10.4184 -10.4184 -3.1463 -3.1463 -2.5945 -2.5945 1.0365 1.0365 1.3294 1.3294 1.7783 1.7783 2.0979 2.0979 3.7818 3.7818 3.7903 3.7903 3.8515 3.8515 3.8753 3.8753 4.9024 4.9024 5.2489 5.2489 5.3615 5.3615 5.6413 5.6413 8.0981 8.0981 8.2437 8.2437 11.5795 11.5795 11.9782 11.9782 k = 0.3617 0.3617-0.0000 ( 3188 PWs) bands (ev): -12.0597 -12.0597 -11.7102 -11.7102 -10.5261 -10.5261 -10.4028 -10.4028 -3.1894 -3.1894 -2.5455 -2.5455 1.0094 1.0094 1.3476 1.3476 1.7415 1.7415 2.0988 2.0988 3.7845 3.7845 3.7914 3.7914 3.8493 3.8493 3.8877 3.8877 4.9087 4.9087 5.2387 5.2387 5.3671 5.3671 5.7257 5.7257 8.0579 8.0579 8.2231 8.2231 11.5273 11.5273 11.9759 11.9759 k = 0.3511 0.3511-0.0000 ( 3188 PWs) bands (ev): -12.0891 -12.0891 -11.6914 -11.6914 -10.5234 -10.5234 -10.3874 -10.3874 -3.2352 -3.2352 -2.4929 -2.4929 0.9813 0.9813 1.3667 1.3667 1.7064 1.7064 2.0999 2.0999 3.7872 3.7872 3.7933 3.7933 3.8463 3.8463 3.9007 3.9007 4.9160 4.9160 5.2285 5.2285 5.3729 5.3729 5.8068 5.8068 8.0156 8.0156 8.2007 8.2007 11.4761 11.4761 11.9719 11.9719 k = 0.3404 0.3404-0.0000 ( 3184 PWs) bands (ev): -12.1191 -12.1191 -11.6714 -11.6714 -10.5207 -10.5207 -10.3725 -10.3725 -3.2835 -3.2835 -2.4369 -2.4369 0.9523 0.9523 1.3861 1.3861 1.6739 1.6739 2.1011 2.1011 3.7901 3.7901 3.7952 3.7952 3.8432 3.8432 3.9138 3.9138 4.9245 4.9245 5.2188 5.2188 5.3790 5.3790 5.8836 5.8836 7.9715 7.9715 8.1763 8.1763 11.4270 11.4270 11.9656 11.9656 k = 0.3298 0.3298-0.0000 ( 3186 PWs) bands (ev): -12.1494 -12.1494 -11.6502 -11.6502 -10.5178 -10.5178 -10.3581 -10.3581 -3.3339 -3.3339 -2.3777 -2.3777 0.9227 0.9227 1.4052 1.4052 1.6448 1.6448 2.1025 2.1025 3.7930 3.7930 3.7963 3.7963 3.8407 3.8407 3.9264 3.9264 4.9342 4.9342 5.2095 5.2095 5.3854 5.3854 5.9552 5.9552 7.9257 7.9257 8.1500 8.1500 11.3811 11.3811 11.9563 11.9563 k = 0.3191 0.3191-0.0000 ( 3188 PWs) bands (ev): -12.1799 -12.1799 -11.6278 -11.6278 -10.5149 -10.5149 -10.3444 -10.3444 -3.3864 -3.3864 -2.3154 -2.3154 0.8926 0.8926 1.4230 1.4230 1.6207 1.6207 2.1040 2.1040 3.7948 3.7948 3.7971 3.7971 3.8390 3.8390 3.9385 3.9385 4.9453 4.9453 5.2010 5.2010 5.3920 5.3920 6.0206 6.0206 7.8782 7.8782 8.1218 8.1218 11.3394 11.3394 11.9434 11.9434 k = 0.3085 0.3085-0.0000 ( 3188 PWs) bands (ev): -12.2106 -12.2106 -11.6043 -11.6043 -10.5118 -10.5118 -10.3316 -10.3316 -3.4406 -3.4406 -2.2502 -2.2502 0.8621 0.8621 1.4377 1.4377 1.6034 1.6034 2.1057 2.1057 3.7925 3.7925 3.7998 3.7998 3.8383 3.8383 3.9498 3.9498 4.9577 4.9577 5.1933 5.1933 5.3988 5.3988 6.0790 6.0790 7.8292 7.8292 8.0917 8.0917 11.3029 11.3029 11.9267 11.9267 k = 0.2979 0.2979-0.0000 ( 3188 PWs) bands (ev): -12.2411 -12.2411 -11.5797 -11.5797 -10.5086 -10.5086 -10.3197 -10.3197 -3.4963 -3.4963 -2.1821 -2.1821 0.8315 0.8315 1.4468 1.4468 1.5956 1.5956 2.1076 2.1076 3.7875 3.7875 3.8031 3.8031 3.8383 3.8383 3.9603 3.9603 4.9714 4.9714 5.1867 5.1867 5.4059 5.4059 6.1299 6.1299 7.7786 7.7786 8.0598 8.0598 11.2725 11.2725 11.9058 11.9058 k = 0.2872 0.2872-0.0000 ( 3190 PWs) bands (ev): -12.2714 -12.2714 -11.5541 -11.5541 -10.5054 -10.5054 -10.3089 -10.3089 -3.5532 -3.5532 -2.1115 -2.1115 0.8008 0.8008 1.4489 1.4489 1.5988 1.5988 2.1097 2.1097 3.7805 3.7805 3.8065 3.8065 3.8382 3.8382 3.9697 3.9697 4.9864 4.9864 5.1813 5.1813 5.4132 5.4132 6.1728 6.1728 7.7265 7.7265 8.0262 8.0262 11.2488 11.2488 11.8812 11.8812 k = 0.2766 0.2766-0.0000 ( 3190 PWs) bands (ev): -12.3015 -12.3015 -11.5274 -11.5274 -10.5021 -10.5021 -10.2993 -10.2993 -3.6111 -3.6111 -2.0385 -2.0385 0.7702 0.7702 1.4452 1.4452 1.6119 1.6119 2.1121 2.1121 3.7719 3.7719 3.8100 3.8100 3.8373 3.8373 3.9779 3.9779 5.0027 5.0027 5.1772 5.1772 5.4209 5.4209 6.2073 6.2073 7.6730 7.6730 7.9907 7.9907 11.2322 11.2322 11.8534 11.8534 k = 0.2660 0.2660-0.0000 ( 3198 PWs) bands (ev): -12.3310 -12.3310 -11.4998 -11.4998 -10.4988 -10.4988 -10.2909 -10.2909 -3.6697 -3.6697 -1.9633 -1.9633 0.7399 0.7399 1.4387 1.4387 1.6320 1.6320 2.1147 2.1147 3.7618 3.7618 3.8135 3.8135 3.8350 3.8350 3.9849 3.9849 5.0201 5.0201 5.1745 5.1745 5.4288 5.4288 6.2334 6.2334 7.6182 7.6182 7.9537 7.9537 11.2228 11.2228 11.8235 11.8235 k = 0.2553 0.2553-0.0000 ( 3200 PWs) bands (ev): -12.3601 -12.3601 -11.4713 -11.4713 -10.4955 -10.4955 -10.2838 -10.2838 -3.7287 -3.7287 -1.8863 -1.8863 0.7098 0.7098 1.4321 1.4321 1.6565 1.6565 2.1177 2.1177 3.7505 3.7505 3.8170 3.8170 3.8309 3.8309 3.9906 3.9906 5.0384 5.0384 5.1733 5.1733 5.4372 5.4372 6.2510 6.2510 7.5623 7.5623 7.9150 7.9150 11.2204 11.2204 11.7928 11.7928 k = 0.2447 0.2447-0.0000 ( 3208 PWs) bands (ev): -12.3885 -12.3885 -11.4420 -11.4420 -10.4921 -10.4921 -10.2781 -10.2781 -3.7879 -3.7879 -1.8077 -1.8077 0.6803 0.6803 1.4269 1.4269 1.6836 1.6836 2.1209 2.1209 3.7382 3.7382 3.8205 3.8205 3.8246 3.8246 3.9949 3.9949 5.0574 5.0574 5.1736 5.1736 5.4460 5.4460 6.2603 6.2603 7.5056 7.5056 7.8748 7.8748 11.2242 11.2242 11.7628 11.7628 k = 0.2340 0.2340-0.0000 ( 3206 PWs) bands (ev): -12.4163 -12.4163 -11.4119 -11.4119 -10.4888 -10.4888 -10.2738 -10.2738 -3.8469 -3.8469 -1.7277 -1.7277 0.6512 0.6512 1.4242 1.4242 1.7124 1.7124 2.1246 2.1246 3.7248 3.7248 3.8155 3.8155 3.8242 3.8242 3.9978 3.9978 5.0768 5.0768 5.1754 5.1754 5.4553 5.4553 6.2616 6.2616 7.4485 7.4485 7.8332 7.8332 11.2328 11.2328 11.7354 11.7354 k = 0.2234 0.2234-0.0000 ( 3206 PWs) bands (ev): -12.4432 -12.4432 -11.3811 -11.3811 -10.4855 -10.4855 -10.2709 -10.2709 -3.9055 -3.9055 -1.6469 -1.6469 0.6229 0.6229 1.4244 1.4244 1.7422 1.7422 2.1288 2.1288 3.7105 3.7105 3.8039 3.8039 3.8277 3.8277 3.9993 3.9993 5.0963 5.0963 5.1786 5.1786 5.4653 5.4653 6.2553 6.2553 7.3918 7.3918 7.7903 7.7903 11.2441 11.2441 11.7128 11.7128 k = 0.2128 0.2128-0.0000 ( 3194 PWs) bands (ev): -12.4693 -12.4693 -11.3497 -11.3497 -10.4822 -10.4822 -10.2695 -10.2695 -3.9634 -3.9634 -1.5654 -1.5654 0.5953 0.5953 1.4280 1.4280 1.7727 1.7727 2.1335 2.1335 3.6954 3.6954 3.7893 3.7893 3.8312 3.8312 3.9994 3.9994 5.1157 5.1157 5.1832 5.1832 5.4759 5.4759 6.2416 6.2416 7.3361 7.3361 7.7462 7.7462 11.2553 11.2553 11.6979 11.6979 k = 0.2021 0.2021-0.0000 ( 3198 PWs) bands (ev): -12.4945 -12.4945 -11.3178 -11.3178 -10.4789 -10.4789 -10.2696 -10.2696 -4.0204 -4.0204 -1.4837 -1.4837 0.5685 0.5685 1.4351 1.4351 1.8034 1.8034 2.1388 2.1388 3.6795 3.6795 3.7715 3.7715 3.8346 3.8346 3.9981 3.9981 5.1345 5.1345 5.1891 5.1891 5.4873 5.4873 6.2210 6.2210 7.2821 7.2821 7.7010 7.7010 11.2630 11.2630 11.6936 11.6936 k = 0.1915 0.1915-0.0000 ( 3202 PWs) bands (ev): -12.5187 -12.5187 -11.2854 -11.2854 -10.4758 -10.4758 -10.2711 -10.2711 -4.0762 -4.0762 -1.4022 -1.4022 0.5427 0.5427 1.4460 1.4460 1.8340 1.8340 2.1448 2.1448 3.6630 3.6630 3.7504 3.7504 3.8380 3.8380 3.9954 3.9954 5.1524 5.1524 5.1962 5.1962 5.4997 5.4997 6.1941 6.1941 7.2309 7.2309 7.6550 7.6550 11.2644 11.2644 11.7022 11.7022 k = 0.1809 0.1809-0.0000 ( 3202 PWs) bands (ev): -12.5419 -12.5419 -11.2526 -11.2526 -10.4727 -10.4727 -10.2742 -10.2742 -4.1305 -4.1305 -1.3214 -1.3214 0.5178 0.5178 1.4608 1.4608 1.8641 1.8641 2.1517 2.1517 3.6457 3.6457 3.7260 3.7260 3.8413 3.8413 3.9914 3.9914 5.1689 5.1689 5.2044 5.2044 5.5130 5.5130 6.1613 6.1613 7.1831 7.1831 7.6083 7.6083 11.2581 11.2581 11.7244 11.7244 k = 0.1702 0.1702-0.0000 ( 3200 PWs) bands (ev): -12.5640 -12.5640 -11.2195 -11.2195 -10.4697 -10.4697 -10.2787 -10.2787 -4.1831 -4.1831 -1.2418 -1.2418 0.4940 0.4940 1.4795 1.4795 1.8934 1.8934 2.1596 2.1596 3.6277 3.6277 3.6983 3.6983 3.8445 3.8445 3.9862 3.9862 5.1838 5.1838 5.2136 5.2136 5.5274 5.5274 6.1232 6.1232 7.1395 7.1395 7.5612 7.5612 11.2447 11.2447 11.7589 11.7589 k = 0.1596 0.1596-0.0000 ( 3200 PWs) bands (ev): -12.5850 -12.5850 -11.1863 -11.1863 -10.4668 -10.4668 -10.2846 -10.2846 -4.2338 -4.2338 -1.1638 -1.1638 0.4714 0.4714 1.5023 1.5023 1.9217 1.9217 2.1685 2.1685 3.6086 3.6086 3.6678 3.6678 3.8476 3.8476 3.9799 3.9799 5.1969 5.1969 5.2235 5.2235 5.5430 5.5430 6.0806 6.0806 7.1005 7.1005 7.5141 7.5141 11.2259 11.2259 11.8033 11.8033 k = 0.1489 0.1489-0.0000 ( 3196 PWs) bands (ev): -12.6047 -12.6047 -11.1531 -11.1531 -10.4641 -10.4641 -10.2919 -10.2919 -4.2823 -4.2823 -1.0880 -1.0880 0.4499 0.4499 1.5292 1.5292 1.9484 1.9484 2.1788 2.1788 3.5870 3.5870 3.6357 3.6357 3.8506 3.8506 3.9726 3.9726 5.2082 5.2082 5.2338 5.2338 5.5598 5.5598 6.0344 6.0344 7.0665 7.0665 7.4671 7.4671 11.2036 11.2036 11.8547 11.8547 k = 0.1383 0.1383-0.0000 ( 3198 PWs) bands (ev): -12.6233 -12.6233 -11.1199 -11.1199 -10.4615 -10.4615 -10.3006 -10.3006 -4.3284 -4.3284 -1.0148 -1.0148 0.4297 0.4297 1.5601 1.5601 1.9734 1.9734 2.1905 2.1905 3.5597 3.5597 3.6055 3.6055 3.8534 3.8534 3.9644 3.9644 5.2180 5.2180 5.2440 5.2440 5.5777 5.5777 5.9855 5.9855 7.0373 7.0373 7.4208 7.4208 11.1794 11.1794 11.9106 11.9106 k = 0.1277 0.1277-0.0000 ( 3198 PWs) bands (ev): -12.6407 -12.6407 -11.0870 -11.0870 -10.4591 -10.4591 -10.3104 -10.3104 -4.3720 -4.3720 -0.9448 -0.9448 0.4108 0.4108 1.5948 1.5948 1.9965 1.9965 2.2036 2.2036 3.5233 3.5233 3.5807 3.5807 3.8561 3.8561 3.9556 3.9556 5.2265 5.2265 5.2537 5.2537 5.5967 5.5967 5.9350 5.9350 7.0127 7.0127 7.3755 7.3755 11.1545 11.1545 11.9690 11.9690 k = 0.1170 0.1170-0.0000 ( 3202 PWs) bands (ev): -12.6567 -12.6567 -11.0546 -11.0546 -10.4568 -10.4568 -10.3215 -10.3215 -4.4128 -4.4128 -0.8786 -0.8786 0.3932 0.3932 1.6333 1.6333 2.0176 2.0176 2.2181 2.2181 3.4786 3.4786 3.5609 3.5609 3.8586 3.8586 3.9463 3.9463 5.2338 5.2338 5.2625 5.2625 5.6166 5.6166 5.8841 5.8841 6.9924 6.9924 7.3318 7.3318 11.1298 11.1298 12.0281 12.0281 k = 0.1064 0.1064-0.0000 ( 3198 PWs) bands (ev): -12.6715 -12.6715 -11.0227 -11.0227 -10.4548 -10.4548 -10.3335 -10.3335 -4.4506 -4.4506 -0.8166 -0.8166 0.3770 0.3770 1.6749 1.6749 2.0369 2.0369 2.2338 2.2338 3.4280 3.4280 3.5438 3.5438 3.8609 3.8609 3.9368 3.9368 5.2402 5.2402 5.2706 5.2706 5.6371 5.6371 5.8338 5.8338 6.9755 6.9755 7.2901 7.2901 11.1060 11.1060 12.0864 12.0864 k = 0.0957 0.0957-0.0000 ( 3196 PWs) bands (ev): -12.6849 -12.6849 -10.9916 -10.9916 -10.4529 -10.4529 -10.3463 -10.3463 -4.4854 -4.4854 -0.7592 -0.7592 0.3623 0.3623 1.7191 1.7191 2.0547 2.0547 2.2503 2.2503 3.3732 3.3732 3.5286 3.5286 3.8630 3.8630 3.9272 3.9272 5.2456 5.2456 5.2778 5.2778 5.6579 5.6579 5.7852 5.7852 6.9614 6.9614 7.2511 7.2511 11.0836 11.0836 12.1425 12.1425 k = 0.0851 0.0851-0.0000 ( 3198 PWs) bands (ev): -12.6970 -12.6970 -10.9616 -10.9616 -10.4514 -10.4514 -10.3597 -10.3597 -4.5169 -4.5169 -0.7069 -0.7069 0.3490 0.3490 1.7650 1.7650 2.0716 2.0716 2.2672 2.2672 3.3150 3.3150 3.5148 3.5148 3.8649 3.8649 3.9177 3.9177 5.2502 5.2502 5.2842 5.2842 5.6779 5.6779 5.7397 5.7397 6.9493 6.9493 7.2155 7.2155 11.0629 11.0629 12.1951 12.1951 k = 0.0745 0.0745-0.0000 ( 3196 PWs) bands (ev): -12.7077 -12.7077 -10.9331 -10.9331 -10.4501 -10.4501 -10.3734 -10.3734 -4.5450 -4.5450 -0.6600 -0.6600 0.3372 0.3372 1.8110 1.8110 2.0885 2.0885 2.2840 2.2840 3.2546 3.2546 3.5025 3.5025 3.8666 3.8666 3.9086 3.9086 5.2542 5.2542 5.2900 5.2900 5.6861 5.6861 5.7089 5.7089 6.9383 6.9383 7.1840 7.1840 11.0441 11.0441 12.2431 12.2431 k = 0.0638 0.0638-0.0000 ( 3190 PWs) bands (ev): -12.7170 -12.7170 -10.9064 -10.9064 -10.4492 -10.4492 -10.3869 -10.3869 -4.5697 -4.5697 -0.6188 -0.6188 0.3269 0.3269 1.8553 1.8553 2.1064 2.1064 2.3004 2.3004 3.1933 3.1933 3.4916 3.4916 3.8681 3.8681 3.9002 3.9002 5.2575 5.2575 5.2951 5.2951 5.6535 5.6535 5.7219 5.7219 6.9280 6.9280 7.1571 7.1571 11.0276 11.0276 12.2852 12.2852 k = 0.0532 0.0532-0.0000 ( 3184 PWs) bands (ev): -12.7249 -12.7249 -10.8820 -10.8820 -10.4489 -10.4489 -10.3997 -10.3997 -4.5907 -4.5907 -0.5836 -0.5836 0.3182 0.3182 1.8955 1.8955 2.1263 2.1263 2.3160 2.3160 3.1325 3.1325 3.4822 3.4822 3.8693 3.8693 3.8927 3.8927 5.2603 5.2603 5.2997 5.2997 5.6196 5.6196 5.7392 5.7392 6.9179 6.9179 7.1352 7.1352 11.0133 11.0133 12.3201 12.3201 k = 0.0426 0.0426-0.0000 ( 3180 PWs) bands (ev): -12.7313 -12.7313 -10.8604 -10.8604 -10.4492 -10.4492 -10.4110 -10.4110 -4.6080 -4.6080 -0.5546 -0.5546 0.3110 0.3110 1.9291 1.9291 2.1484 2.1484 2.3305 2.3305 3.0746 3.0746 3.4744 3.4744 3.8701 3.8701 3.8863 3.8863 5.2626 5.2626 5.3038 5.3038 5.5904 5.5904 5.7547 5.7547 6.9082 6.9082 7.1183 7.1183 11.0015 11.0015 12.3471 12.3471 k = 0.0319 0.0319-0.0000 ( 3178 PWs) bands (ev): -12.7364 -12.7364 -10.8425 -10.8425 -10.4505 -10.4505 -10.4199 -10.4199 -4.6215 -4.6215 -0.5318 -0.5318 0.3054 0.3054 1.9546 1.9546 2.1717 2.1717 2.3436 2.3436 3.0224 3.0224 3.4683 3.4683 3.8706 3.8706 3.8814 3.8814 5.2645 5.2645 5.3072 5.3072 5.5668 5.5668 5.7677 5.7677 6.8995 6.8995 7.1060 7.1060 10.9923 10.9923 12.3659 12.3659 k = 0.0213 0.0213-0.0000 ( 3174 PWs) bands (ev): -12.7400 -12.7400 -10.8289 -10.8289 -10.4527 -10.4527 -10.4258 -10.4258 -4.6312 -4.6312 -0.5156 -0.5156 0.3014 0.3014 1.9719 1.9719 2.1927 2.1927 2.3547 2.3547 2.9800 2.9800 3.4638 3.4638 3.8706 3.8706 3.8781 3.8781 5.2659 5.2659 5.3098 5.3098 5.5493 5.5493 5.7774 5.7774 6.8925 6.8925 7.0979 7.0979 10.9856 10.9856 12.3778 12.3778 k = 0.0106 0.0106-0.0000 ( 3166 PWs) bands (ev): -12.7422 -12.7422 -10.8204 -10.8204 -10.4549 -10.4549 -10.4288 -10.4288 -4.6371 -4.6371 -0.5058 -0.5058 0.2990 0.2990 1.9817 1.9817 2.2075 2.2075 2.3626 2.3626 2.9518 2.9518 3.4611 3.4611 3.8701 3.8701 3.8765 3.8765 5.2668 5.2668 5.3115 5.3115 5.5386 5.5386 5.7835 5.7835 6.8879 6.8879 7.0933 7.0933 10.9816 10.9816 12.3842 12.3842 k = 0.0000 0.0000 0.0000 ( 3163 PWs) bands (ev): -12.7429 -12.7429 -10.8175 -10.8175 -10.4558 -10.4558 -10.4297 -10.4297 -4.6390 -4.6390 -0.5025 -0.5025 0.2982 0.2982 1.9849 1.9849 2.2128 2.2128 2.3656 2.3656 2.9418 2.9418 3.4602 3.4602 3.8699 3.8699 3.8761 3.8761 5.2671 5.2671 5.3121 5.3121 5.5350 5.5350 5.7855 5.7855 6.8863 6.8863 7.0918 7.0918 10.9802 10.9802 12.3862 12.3862 k = 0.0000 0.0000 0.0000 ( 3163 PWs) bands (ev): -12.7429 -12.7429 -10.8175 -10.8175 -10.4558 -10.4558 -10.4297 -10.4297 -4.6390 -4.6390 -0.5025 -0.5025 0.2982 0.2982 1.9849 1.9849 2.2128 2.2128 2.3656 2.3656 2.9418 2.9418 3.4602 3.4602 3.8699 3.8699 3.8761 3.8761 5.2671 5.2671 5.3121 5.3121 5.5350 5.5350 5.7855 5.7855 6.8863 6.8863 7.0918 7.0918 10.9802 10.9802 12.3862 12.3862 k = 0.0000 0.0000 0.0151 ( 3167 PWs) bands (ev): -12.7420 -12.7420 -10.8175 -10.8175 -10.4555 -10.4555 -10.4294 -10.4294 -4.6408 -4.6408 -0.5131 -0.5131 0.2996 0.2996 1.9879 1.9879 2.2136 2.2136 2.3722 2.3722 2.9439 2.9439 3.4610 3.4610 3.8631 3.8631 3.8690 3.8690 5.2675 5.2675 5.3122 5.3122 5.5380 5.5380 5.7847 5.7847 6.8940 6.8940 7.0991 7.0991 10.9783 10.9783 12.3849 12.3849 k = 0.0000 0.0000 0.0302 ( 3175 PWs) bands (ev): -12.7395 -12.7395 -10.8178 -10.8178 -10.4547 -10.4547 -10.4287 -10.4287 -4.6462 -4.6462 -0.5443 -0.5443 0.3039 0.3039 1.9965 1.9965 2.2161 2.2161 2.3917 2.3917 2.9506 2.9506 3.4632 3.4632 3.8431 3.8431 3.8481 3.8481 5.2685 5.2685 5.3121 5.3121 5.5469 5.5469 5.7821 5.7821 6.9170 6.9170 7.1209 7.1209 10.9723 10.9723 12.3810 12.3810 k = 0.0000 0.0000 0.0454 ( 3175 PWs) bands (ev): -12.7352 -12.7352 -10.8183 -10.8183 -10.4533 -10.4533 -10.4274 -10.4274 -4.6551 -4.6551 -0.5946 -0.5946 0.3108 0.3108 2.0091 2.0091 2.2202 2.2202 2.4228 2.4228 2.9630 2.9630 3.4669 3.4669 3.8107 3.8107 3.8142 3.8142 5.2697 5.2697 5.3118 5.3118 5.5617 5.5617 5.7779 5.7779 6.9547 6.9547 7.1568 7.1568 10.9626 10.9626 12.3746 12.3746 k = 0.0000 0.0000 0.0605 ( 3179 PWs) bands (ev): -12.7292 -12.7292 -10.8189 -10.8189 -10.4513 -10.4513 -10.4255 -10.4255 -4.6674 -4.6674 -0.6621 -0.6621 0.3206 0.3206 2.0239 2.0239 2.2260 2.2260 2.4631 2.4631 2.9834 2.9834 3.4721 3.4721 3.7671 3.7671 3.7686 3.7686 5.2708 5.2708 5.3108 5.3108 5.5823 5.5823 5.7720 5.7720 7.0062 7.0062 7.2061 7.2061 10.9493 10.9493 12.3656 12.3656 k = 0.0000 0.0000 0.0756 ( 3187 PWs) bands (ev): -12.7215 -12.7215 -10.8198 -10.8198 -10.4488 -10.4488 -10.4232 -10.4232 -4.6829 -4.6829 -0.7442 -0.7442 0.3329 0.3329 2.0397 2.0397 2.2333 2.2333 2.5078 2.5078 3.0151 3.0151 3.4788 3.4788 3.7124 3.7124 3.7137 3.7137 5.2712 5.2712 5.3087 5.3087 5.6085 5.6085 5.7645 5.7645 7.0705 7.0705 7.2678 7.2678 10.9328 10.9328 12.3544 12.3544 k = 0.0000 0.0000 0.0907 ( 3195 PWs) bands (ev): -12.7121 -12.7121 -10.8210 -10.8210 -10.4458 -10.4458 -10.4204 -10.4204 -4.7014 -4.7014 -0.8385 -0.8385 0.3478 0.3478 2.0556 2.0556 2.2423 2.2423 2.5514 2.5514 3.0620 3.0620 3.4869 3.4869 3.6476 3.6476 3.6520 3.6520 5.2704 5.2704 5.3053 5.3053 5.6402 5.6402 5.7554 5.7554 7.1463 7.1463 7.3409 7.3409 10.9134 10.9134 12.3409 12.3409 k = 0.0000 0.0000 0.1058 ( 3195 PWs) bands (ev): -12.7010 -12.7010 -10.8225 -10.8225 -10.4423 -10.4423 -10.4171 -10.4171 -4.7227 -4.7227 -0.9427 -0.9427 0.3651 0.3651 2.0714 2.0714 2.2529 2.2529 2.5884 2.5884 3.1273 3.1273 3.4963 3.4963 3.5754 3.5754 3.5838 3.5838 5.2681 5.2681 5.3001 5.3001 5.6769 5.6769 5.7449 5.7449 7.2323 7.2323 7.4243 7.4243 10.8914 10.8914 12.3254 12.3254 k = 0.0000 0.0000 0.1209 ( 3187 PWs) bands (ev): -12.6882 -12.6882 -10.8243 -10.8243 -10.4383 -10.4383 -10.4134 -10.4134 -4.7464 -4.7464 -1.0548 -1.0548 0.3847 0.3847 2.0872 2.0872 2.2651 2.2651 2.6157 2.6157 3.2113 3.2113 3.4974 3.4974 3.5031 3.5031 3.5152 3.5152 5.2641 5.2641 5.2932 5.2932 5.7156 5.7156 5.7359 5.7359 7.3273 7.3273 7.5168 7.5168 10.8675 10.8675 12.3080 12.3080 k = 0.0000 0.0000 0.1361 ( 3187 PWs) bands (ev): -12.6738 -12.6738 -10.8265 -10.8265 -10.4338 -10.4338 -10.4092 -10.4092 -4.7723 -4.7723 -1.1732 -1.1732 0.4065 0.4065 2.1029 2.1029 2.2788 2.2788 2.6333 2.6333 3.3083 3.3083 3.4147 3.4147 3.4375 3.4375 3.5207 3.5207 5.2581 5.2581 5.2843 5.2843 5.7156 5.7156 5.7689 5.7689 7.4299 7.4299 7.6173 7.6173 10.8420 10.8420 12.2888 12.2888 k = 0.0000 0.0000 0.1512 ( 3187 PWs) bands (ev): -12.6578 -12.6578 -10.8292 -10.8292 -10.4289 -10.4289 -10.4045 -10.4045 -4.8001 -4.8001 -1.2963 -1.2963 0.4303 0.4303 2.1187 2.1187 2.2940 2.2940 2.6425 2.6425 3.3286 3.3286 3.3340 3.3340 3.4481 3.4481 3.5345 3.5345 5.2501 5.2501 5.2734 5.2734 5.7005 5.7005 5.8198 5.8198 7.5391 7.5391 7.7248 7.7248 10.8154 10.8154 12.2681 12.2681 k = 0.0000 0.0000 0.1663 ( 3183 PWs) bands (ev): -12.6401 -12.6401 -10.8325 -10.8325 -10.4235 -10.4235 -10.3995 -10.3995 -4.8294 -4.8294 -1.4230 -1.4230 0.4560 0.4560 2.1344 2.1344 2.3107 2.3107 2.6452 2.6452 3.2400 3.2400 3.2586 3.2586 3.5498 3.5498 3.5692 3.5692 5.2401 5.2401 5.2606 5.2606 5.6834 5.6834 5.8755 5.8755 7.6538 7.6538 7.8382 7.8382 10.7883 10.7883 12.2460 12.2460 k = 0.0000 0.0000 0.1814 ( 3183 PWs) bands (ev): -12.6209 -12.6209 -10.8363 -10.8363 -10.4177 -10.4177 -10.3942 -10.3942 -4.8598 -4.8598 -1.5523 -1.5523 0.4835 0.4835 2.1501 2.1501 2.3288 2.3288 2.6430 2.6430 3.1497 3.1497 3.1760 3.1760 3.5666 3.5666 3.7050 3.7050 5.2280 5.2280 5.2459 5.2459 5.6645 5.6645 5.9351 5.9351 7.7731 7.7731 7.9567 7.9567 10.7610 10.7610 12.2226 12.2226 k = 0.0000 0.0000 0.1965 ( 3175 PWs) bands (ev): -12.6000 -12.6000 -10.8408 -10.8408 -10.4116 -10.4116 -10.3884 -10.3884 -4.8910 -4.8910 -1.6833 -1.6833 0.5126 0.5126 2.1654 2.1654 2.3483 2.3483 2.6370 2.6370 3.0585 3.0585 3.0926 3.0926 3.5847 3.5847 3.8481 3.8481 5.2141 5.2141 5.2293 5.2293 5.6441 5.6441 5.9984 5.9984 7.8960 7.8960 8.0793 8.0793 10.7342 10.7342 12.1980 12.1980 k = 0.0000 0.0000 0.2116 ( 3191 PWs) bands (ev): -12.5776 -12.5776 -10.8460 -10.8460 -10.4051 -10.4051 -10.3824 -10.3824 -4.9226 -4.9226 -1.8155 -1.8155 0.5433 0.5433 2.1799 2.1799 2.3692 2.3692 2.6281 2.6281 2.9670 2.9670 3.0101 3.0101 3.6042 3.6042 3.9963 3.9963 5.1982 5.1982 5.2110 5.2110 5.6221 5.6221 6.0647 6.0647 8.0219 8.0219 8.2052 8.2052 10.7082 10.7082 12.1725 12.1725 k = 0.0000 0.0000 0.2268 ( 3191 PWs) bands (ev): -12.5537 -12.5537 -10.8521 -10.8521 -10.3983 -10.3983 -10.3761 -10.3761 -4.9542 -4.9542 -1.9482 -1.9482 0.5753 0.5753 2.1928 2.1928 2.3913 2.3913 2.6168 2.6168 2.8758 2.8758 2.9298 2.9298 3.6251 3.6251 4.1480 4.1480 5.1805 5.1805 5.1910 5.1910 5.5986 5.5986 6.1337 6.1337 8.1500 8.1500 8.3338 8.3338 10.6834 10.6834 12.1461 12.1461 k = 0.0000 0.0000 0.2419 ( 3191 PWs) bands (ev): -12.5283 -12.5283 -10.8591 -10.8591 -10.3913 -10.3913 -10.3696 -10.3696 -4.9854 -4.9854 -2.0809 -2.0809 0.6086 0.6086 2.2032 2.2032 2.4147 2.4147 2.6038 2.6038 2.7852 2.7852 2.8531 2.8531 3.6473 3.6473 4.3020 4.3020 5.1612 5.1612 5.1694 5.1694 5.5737 5.5737 6.2049 6.2049 8.2797 8.2797 8.4644 8.4644 10.6604 10.6604 12.1191 12.1191 k = 0.0000 0.0000 0.2570 ( 3187 PWs) bands (ev): -12.5015 -12.5015 -10.8670 -10.8670 -10.3840 -10.3840 -10.3628 -10.3628 -5.0159 -5.0159 -2.2132 -2.2132 0.6430 0.6430 2.2096 2.2096 2.4391 2.4391 2.5891 2.5891 2.6959 2.6959 2.7820 2.7820 3.6708 3.6708 4.4576 4.4576 5.1403 5.1403 5.1463 5.1463 5.5473 5.5473 6.2778 6.2778 8.4104 8.4104 8.5963 8.5963 10.6395 10.6395 12.0915 12.0915 k = 0.0000 0.0000 0.2721 ( 3196 PWs) bands (ev): -12.4732 -12.4732 -10.8761 -10.8761 -10.3765 -10.3765 -10.3559 -10.3559 -5.0454 -5.0454 -2.3448 -2.3448 0.6785 0.6785 2.2098 2.2098 2.4645 2.4645 2.5728 2.5728 2.6082 2.6082 2.7193 2.7193 3.6956 3.6956 4.6137 4.6137 5.1180 5.1180 5.1217 5.1217 5.5196 5.5196 6.3520 6.3520 8.5415 8.5415 8.7290 8.7290 10.6211 10.6211 12.0634 12.0634 k = 0.0000 0.0000 0.2872 ( 3188 PWs) bands (ev): -12.4436 -12.4436 -10.8863 -10.8863 -10.3688 -10.3688 -10.3488 -10.3488 -5.0734 -5.0734 -2.4754 -2.4754 0.7150 0.7150 2.2016 2.2016 2.4891 2.4891 2.5242 2.5242 2.5534 2.5534 2.6690 2.6690 3.7217 3.7217 4.7696 4.7696 5.0946 5.0946 5.0959 5.0959 5.4906 5.4906 6.4269 6.4269 8.6725 8.6725 8.8618 8.8618 10.6056 10.6056 12.0352 12.0352 k = 0.0000 0.0000 0.3023 ( 3196 PWs) bands (ev): -12.4126 -12.4126 -10.8978 -10.8978 -10.3611 -10.3611 -10.3417 -10.3417 -5.0996 -5.0996 -2.6047 -2.6047 0.7523 0.7523 2.1828 2.1828 2.4364 2.4364 2.5204 2.5204 2.5289 2.5289 2.6358 2.6358 3.7490 3.7490 4.9235 4.9235 5.0688 5.0688 5.0715 5.0715 5.4603 5.4603 6.5020 6.5020 8.8030 8.8030 8.9942 8.9942 10.5935 10.5935 12.0067 12.0067 k = 0.0000 0.0000 0.3175 ( 3196 PWs) bands (ev): -12.3803 -12.3803 -10.9105 -10.9105 -10.3532 -10.3532 -10.3345 -10.3345 -5.1238 -5.1238 -2.7325 -2.7325 0.7904 0.7904 2.1525 2.1525 2.3553 2.3553 2.4993 2.4993 2.5482 2.5482 2.6206 2.6206 3.7774 3.7774 5.0308 5.0308 5.0407 5.0407 5.0926 5.0926 5.4287 5.4287 6.5768 6.5768 8.9324 8.9324 9.1257 9.1257 10.5851 10.5851 11.9783 11.9783 k = 0.0000 0.0000 0.3326 ( 3188 PWs) bands (ev): -12.3468 -12.3468 -10.9247 -10.9247 -10.3453 -10.3453 -10.3272 -10.3272 -5.1455 -5.1455 -2.8585 -2.8585 0.8292 0.8292 2.1121 2.1121 2.2763 2.2763 2.4677 2.4677 2.5771 2.5771 2.6193 2.6193 3.8071 3.8071 5.0113 5.0113 5.0117 5.0117 5.2377 5.2377 5.3960 5.3960 6.6509 6.6509 9.0604 9.0604 9.2557 9.2557 10.5807 10.5807 11.9500 11.9500 k = 0.0000 0.0000 0.3477 ( 3208 PWs) bands (ev): -12.3121 -12.3121 -10.9403 -10.9403 -10.3374 -10.3374 -10.3201 -10.3201 -5.1646 -5.1646 -2.9826 -2.9826 0.8687 0.8687 2.0642 2.0642 2.2001 2.2001 2.4361 2.4361 2.6068 2.6068 2.6275 2.6275 3.8379 3.8379 4.9817 4.9817 4.9841 4.9841 5.3621 5.3621 5.3877 5.3877 6.7235 6.7235 9.1864 9.1864 9.3836 9.3836 10.5808 10.5808 11.9219 11.9219 k = 0.0000 0.0000 0.3628 ( 3200 PWs) bands (ev): -12.2763 -12.2763 -10.9574 -10.9574 -10.3296 -10.3296 -10.3130 -10.3130 -5.1808 -5.1808 -3.1046 -3.1046 0.9087 0.9087 2.0116 2.0116 2.1268 2.1268 2.4047 2.4047 2.6369 2.6369 2.6422 2.6422 3.8697 3.8697 4.9512 4.9512 4.9553 4.9553 5.3271 5.3271 5.5357 5.5357 6.7944 6.7944 9.3101 9.3101 9.5089 9.5089 10.5857 10.5857 11.8943 11.8943 k = 0.0000 0.0000 0.3779 ( 3204 PWs) bands (ev): -12.2394 -12.2394 -10.9761 -10.9761 -10.3218 -10.3218 -10.3060 -10.3060 -5.1937 -5.1937 -3.2244 -3.2244 0.9492 0.9492 1.9568 1.9568 2.0568 2.0568 2.3731 2.3731 2.6616 2.6616 2.6673 2.6673 3.9026 3.9026 4.9201 4.9201 4.9258 4.9258 5.2911 5.2911 5.6807 5.6807 6.8628 6.8628 9.4310 9.4310 9.6308 9.6308 10.5959 10.5959 11.8672 11.8672 k = 0.0000 0.0000 0.3930 ( 3196 PWs) bands (ev): -12.2015 -12.2015 -10.9963 -10.9963 -10.3142 -10.3142 -10.2991 -10.2991 -5.2033 -5.2033 -3.3417 -3.3417 0.9901 0.9901 1.9014 1.9014 1.9900 1.9900 2.3410 2.3410 2.6842 2.6842 2.6980 2.6980 3.9366 3.9366 4.8887 4.8887 4.8957 4.8957 5.2541 5.2541 5.8222 5.8222 6.9283 6.9283 9.5488 9.5488 9.7489 9.7489 10.6117 10.6117 11.8408 11.8408 k = 0.0000 0.0000 0.4082 ( 3196 PWs) bands (ev): -12.1627 -12.1627 -11.0182 -11.0182 -10.3068 -10.3068 -10.2925 -10.2925 -5.2092 -5.2092 -3.4565 -3.4565 1.0313 1.0313 1.8469 1.8469 1.9269 1.9269 2.3081 2.3081 2.7091 2.7091 2.7286 2.7286 3.9715 3.9715 4.8572 4.8572 4.8653 4.8653 5.2162 5.2162 5.9595 5.9595 6.9905 6.9905 9.6630 9.6630 9.8623 9.8623 10.6335 10.6335 11.8152 11.8152 k = 0.0000 0.0000 0.4233 ( 3196 PWs) bands (ev): -12.1229 -12.1229 -11.0418 -11.0418 -10.2996 -10.2996 -10.2861 -10.2861 -5.2113 -5.2113 -3.5685 -3.5685 1.0728 1.0728 1.7939 1.7939 1.8675 1.8675 2.2743 2.2743 2.7356 2.7356 2.7590 2.7590 4.0074 4.0074 4.8257 4.8257 4.8348 4.8348 5.1775 5.1775 6.0923 6.0923 7.0489 7.0489 9.7732 9.7732 9.9704 9.9704 10.6618 10.6618 11.7907 11.7907 k = 0.0000 0.0000 0.4384 ( 3180 PWs) bands (ev): -12.0824 -12.0824 -11.0669 -11.0669 -10.2926 -10.2926 -10.2800 -10.2800 -5.2094 -5.2094 -3.6778 -3.6778 1.1143 1.1143 1.7432 1.7432 1.8120 1.8120 2.2397 2.2397 2.7630 2.7630 2.7890 2.7890 4.0442 4.0442 4.7945 4.7945 4.8044 4.8044 5.1380 5.1380 6.2201 6.2201 7.1030 7.1030 9.8792 9.8792 10.0725 10.0725 10.6967 10.6967 11.7675 11.7675 k = 0.0000 0.0000 0.4535 ( 3172 PWs) bands (ev): -12.0412 -12.0412 -11.0937 -11.0937 -10.2859 -10.2859 -10.2742 -10.2742 -5.2035 -5.2035 -3.7841 -3.7841 1.1557 1.1557 1.6952 1.6952 1.7607 1.7607 2.2041 2.2041 2.7908 2.7908 2.8183 2.8183 4.0818 4.0818 4.7639 4.7639 4.7744 4.7744 5.0977 5.0977 6.3425 6.3425 7.1524 7.1524 9.9804 9.9804 10.1679 10.1679 10.7384 10.7384 11.7458 11.7458 k = 0.0000 0.0000 0.4686 ( 3176 PWs) bands (ev): -11.9993 -11.9993 -11.1221 -11.1221 -10.2796 -10.2796 -10.2688 -10.2688 -5.1934 -5.1934 -3.8873 -3.8873 1.1968 1.1968 1.6502 1.6502 1.7138 1.7138 2.1677 2.1677 2.8187 2.8187 2.8468 2.8468 4.1202 4.1202 4.7341 4.7341 4.7450 4.7450 5.0567 5.0567 6.4589 6.4589 7.1968 7.1968 10.0767 10.0767 10.2563 10.2563 10.7868 10.7868 11.7259 11.7259 k = 0.0000 0.0000 0.4837 ( 3176 PWs) bands (ev): -11.9569 -11.9569 -11.1521 -11.1521 -10.2737 -10.2737 -10.2638 -10.2638 -5.1789 -5.1789 -3.9874 -3.9874 1.2372 1.2372 1.6085 1.6085 1.6718 1.6718 2.1304 2.1304 2.8461 2.8461 2.8741 2.8741 4.1594 4.1594 4.7054 4.7054 4.7165 4.7165 5.0152 5.0152 6.5690 6.5690 7.2357 7.2357 10.1676 10.1676 10.3374 10.3374 10.8413 10.8413 11.7083 11.7083 k = 0.0000 0.0000 0.4989 ( 3168 PWs) bands (ev): -11.9140 -11.9140 -11.1837 -11.1837 -10.2681 -10.2681 -10.2591 -10.2591 -5.1601 -5.1601 -4.0842 -4.0842 1.2764 1.2764 1.5702 1.5702 1.6353 1.6353 2.0924 2.0924 2.8727 2.8727 2.8999 2.8999 4.1993 4.1993 4.6782 4.6782 4.6892 4.6892 4.9731 4.9731 6.6725 6.6725 7.2690 7.2690 10.2528 10.2528 10.4113 10.4113 10.9012 10.9012 11.6934 11.6934 k = 0.0000 0.0000 0.5140 ( 3164 PWs) bands (ev): -11.8708 -11.8708 -11.2167 -11.2167 -10.2630 -10.2630 -10.2550 -10.2550 -5.1368 -5.1368 -4.1776 -4.1776 1.3134 1.3134 1.5356 1.5356 1.6052 1.6052 2.0536 2.0536 2.8982 2.8982 2.9239 2.9239 4.2399 4.2399 4.6526 4.6526 4.6633 4.6633 4.9306 4.9306 6.7691 6.7691 7.2962 7.2962 10.3320 10.3320 10.4779 10.4779 10.9654 10.9654 11.6817 11.6817 k = 0.0000 0.0000 0.5291 ( 3176 PWs) bands (ev): -11.8273 -11.8273 -11.2511 -11.2511 -10.2584 -10.2584 -10.2513 -10.2513 -5.1091 -5.1091 -4.2675 -4.2675 1.3465 1.3465 1.5048 1.5048 1.5832 1.5832 2.0142 2.0142 2.9221 2.9221 2.9459 2.9459 4.2810 4.2810 4.6292 4.6292 4.6393 4.6393 4.8876 4.8876 6.8584 6.8584 7.3171 7.3171 10.4049 10.4049 10.5373 10.5373 11.0325 11.0325 11.6741 11.6741 k = 0.0000 0.0000 0.5442 ( 3172 PWs) bands (ev): -11.7836 -11.7836 -11.2869 -11.2869 -10.2542 -10.2542 -10.2481 -10.2481 -5.0770 -5.0770 -4.3538 -4.3538 1.3730 1.3730 1.4778 1.4778 1.5722 1.5722 1.9742 1.9742 2.9441 2.9441 2.9655 2.9655 4.3227 4.3227 4.6081 4.6081 4.6174 4.6174 4.8443 4.8443 6.9404 6.9404 7.3316 7.3316 10.4712 10.4712 10.5892 10.5892 11.1017 11.1017 11.6714 11.6714 k = 0.0000 0.0000 0.5593 ( 3172 PWs) bands (ev): -11.7399 -11.7399 -11.3239 -11.3239 -10.2506 -10.2506 -10.2455 -10.2455 -5.0403 -5.0403 -4.4364 -4.4364 1.3899 1.3899 1.4547 1.4547 1.5749 1.5749 1.9338 1.9338 2.9638 2.9638 2.9823 2.9823 4.3649 4.3649 4.5898 4.5898 4.5980 4.5980 4.8008 4.8008 7.0148 7.0148 7.3393 7.3393 10.5305 10.5305 10.6331 10.6331 11.1719 11.1719 11.6745 11.6745 k = 0.0000 0.0000 0.5745 ( 3172 PWs) bands (ev): -11.6962 -11.6962 -11.3620 -11.3620 -10.2475 -10.2475 -10.2434 -10.2434 -4.9992 -4.9992 -4.5153 -4.5153 1.3971 1.3971 1.4355 1.4355 1.5917 1.5917 1.8930 1.8930 2.9809 2.9809 2.9962 2.9962 4.4076 4.4076 4.5745 4.5745 4.5814 4.5814 4.7570 4.7570 7.0815 7.0815 7.3401 7.3401 10.5823 10.5823 10.6680 10.6680 11.2421 11.2422 11.6719 11.6719 k = 0.0000 0.0000 0.5896 ( 3168 PWs) bands (ev): -11.6527 -11.6527 -11.4013 -11.4013 -10.2450 -10.2450 -10.2418 -10.2418 -4.9536 -4.9536 -4.5902 -4.5902 1.3978 1.3978 1.4202 1.4202 1.6191 1.6191 1.8520 1.8520 2.9950 2.9950 3.0068 3.0068 4.4506 4.4506 4.5625 4.5625 4.5679 4.5679 4.7131 4.7131 7.1405 7.1405 7.3339 7.3339 10.6263 10.6263 10.6932 10.6932 11.3116 11.3116 11.6362 11.6362 k = 0.0000 0.0000 0.6047 ( 3164 PWs) bands (ev): -11.6094 -11.6094 -11.4414 -11.4414 -10.2430 -10.2430 -10.2409 -10.2409 -4.9037 -4.9037 -4.6612 -4.6612 1.3964 1.3964 1.4088 1.4088 1.6529 1.6529 1.8109 1.8109 3.0059 3.0059 3.0140 3.0140 4.4939 4.4939 4.5540 4.5540 4.5578 4.5578 4.6692 4.6692 7.1918 7.1918 7.3204 7.3204 10.6619 10.6619 10.7079 10.7079 11.3788 11.3788 11.5964 11.5964 k = 0.0000 0.0000 0.6198 ( 3180 PWs) bands (ev): -11.5666 -11.5666 -11.4825 -11.4825 -10.2417 -10.2417 -10.2405 -10.2405 -4.8494 -4.8494 -4.7281 -4.7281 1.3955 1.3955 1.4011 1.4011 1.6903 1.6903 1.7700 1.7700 3.0134 3.0134 3.0175 3.0175 4.5374 4.5374 4.5493 4.5493 4.5513 4.5513 4.6252 4.6252 7.2354 7.2354 7.2996 7.2996 10.6884 10.6884 10.7119 10.7119 11.4421 11.4421 11.5513 11.5513 k = 0.0000 0.0000 0.6349 ( 3184 PWs) bands (ev): -11.5245 -11.5245 -11.5239 -11.5239 -10.2411 -10.2411 -10.2404 -10.2404 -4.7909 -4.7909 -4.7909 -4.7909 1.3966 1.3966 1.3970 1.3970 1.7294 1.7294 1.7298 1.7298 3.0171 3.0171 3.0175 3.0175 4.5480 4.5480 4.5486 4.5486 4.5810 4.5810 4.5816 4.5816 7.2711 7.2711 7.2715 7.2715 10.7051 10.7051 10.7054 10.7054 11.4999 11.4999 11.5000 11.5000 k = 0.0000 0.0000 0.6349 ( 3184 PWs) bands (ev): -11.5245 -11.5245 -11.5239 -11.5239 -10.2411 -10.2411 -10.2404 -10.2404 -4.7909 -4.7909 -4.7909 -4.7909 1.3966 1.3966 1.3970 1.3970 1.7294 1.7294 1.7298 1.7298 3.0171 3.0171 3.0175 3.0175 4.5480 4.5480 4.5486 4.5486 4.5810 4.5810 4.5816 4.5816 7.2711 7.2711 7.2715 7.2715 10.7051 10.7051 10.7054 10.7054 11.4999 11.4999 11.5000 11.5000 k = 0.0000 0.0152 0.6349 ( 3182 PWs) bands (ev): -11.5244 -11.5244 -11.5234 -11.5234 -10.2415 -10.2415 -10.2408 -10.2408 -4.7906 -4.7906 -4.7904 -4.7904 1.3814 1.3814 1.4076 1.4076 1.7221 1.7221 1.7285 1.7285 3.0173 3.0173 3.0313 3.0313 4.5426 4.5426 4.5434 4.5434 4.5865 4.5865 4.5878 4.5878 7.2711 7.2711 7.2730 7.2730 10.6866 10.6866 10.7209 10.7209 11.4548 11.4548 11.5307 11.5307 k = 0.0000 0.0303 0.6349 ( 3174 PWs) bands (ev): -11.5238 -11.5238 -11.5222 -11.5222 -10.2427 -10.2427 -10.2419 -10.2419 -4.7895 -4.7895 -4.7891 -4.7891 1.3610 1.3610 1.4142 1.4142 1.7056 1.7056 1.7201 1.7201 3.0313 3.0313 3.0586 3.0586 4.5316 4.5316 4.5324 4.5324 4.5988 4.5988 4.6006 4.6006 7.2726 7.2726 7.2764 7.2764 10.6644 10.6644 10.7340 10.7340 11.4049 11.4049 11.5296 11.5296 k = 0.0000 0.0455 0.6349 ( 3170 PWs) bands (ev): -11.5227 -11.5227 -11.5203 -11.5203 -10.2448 -10.2448 -10.2438 -10.2438 -4.7877 -4.7877 -4.7871 -4.7871 1.3353 1.3353 1.4165 1.4165 1.6812 1.6812 1.7062 1.7062 3.0587 3.0587 3.0976 3.0976 4.5192 4.5192 4.5198 4.5198 4.6137 4.6137 4.6160 4.6160 7.2756 7.2756 7.2814 7.2814 10.6382 10.6382 10.7447 10.7447 11.3546 11.3546 11.4920 11.4920 k = 0.0000 0.0606 0.6349 ( 3174 PWs) bands (ev): -11.5210 -11.5210 -11.5178 -11.5178 -10.2476 -10.2476 -10.2465 -10.2465 -4.7851 -4.7851 -4.7843 -4.7843 1.3038 1.3038 1.4139 1.4139 1.6505 1.6505 1.6889 1.6889 3.0979 3.0979 3.1465 3.1465 4.5062 4.5062 4.5068 4.5068 4.6302 4.6302 4.6329 4.6329 7.2802 7.2802 7.2880 7.2880 10.6073 10.6073 10.7532 10.7532 11.3059 11.3059 11.4336 11.4336 k = 0.0000 0.0758 0.6349 ( 3174 PWs) bands (ev): -11.5188 -11.5188 -11.5148 -11.5148 -10.2511 -10.2511 -10.2499 -10.2499 -4.7817 -4.7817 -4.7808 -4.7808 1.2664 1.2664 1.4053 1.4053 1.6166 1.6166 1.6700 1.6700 3.1472 3.1472 3.2035 3.2035 4.4930 4.4930 4.4936 4.4936 4.6480 4.6480 4.6511 4.6511 7.2864 7.2864 7.2962 7.2962 10.5711 10.5711 10.7594 10.7594 11.2604 11.2604 11.3667 11.3667 k = 0.0000 0.0909 0.6349 ( 3172 PWs) bands (ev): -11.5159 -11.5159 -11.5112 -11.5112 -10.2554 -10.2554 -10.2540 -10.2540 -4.7777 -4.7777 -4.7767 -4.7767 1.2235 1.2235 1.3887 1.3887 1.5832 1.5832 1.6511 1.6511 3.2048 3.2048 3.2668 3.2668 4.4796 4.4796 4.4805 4.4805 4.6671 4.6671 4.6706 4.6706 7.2940 7.2940 7.3058 7.3058 10.5291 10.5291 10.7629 10.7629 11.2188 11.2188 11.2964 11.2964 k = 0.0000 0.1061 0.6349 ( 3172 PWs) bands (ev): -11.5126 -11.5126 -11.5070 -11.5070 -10.2604 -10.2604 -10.2588 -10.2588 -4.7729 -4.7729 -4.7718 -4.7718 1.1756 1.1756 1.3621 1.3621 1.5541 1.5541 1.6329 1.6329 3.2690 3.2690 3.3350 3.3350 4.4662 4.4662 4.4674 4.4674 4.6875 4.6875 4.6914 4.6914 7.3031 7.3031 7.3170 7.3170 10.4813 10.4813 10.7632 10.7632 11.1817 11.1817 11.2257 11.2257 k = 0.0000 0.1212 0.6349 ( 3184 PWs) bands (ev): -11.5087 -11.5087 -11.5023 -11.5023 -10.2661 -10.2661 -10.2643 -10.2643 -4.7675 -4.7675 -4.7663 -4.7663 1.1235 1.1235 1.3248 1.3248 1.5313 1.5313 1.6159 1.6159 3.3381 3.3381 3.4064 3.4064 4.4528 4.4528 4.4546 4.4546 4.7090 4.7090 4.7133 4.7133 7.3136 7.3136 7.3296 7.3296 10.4275 10.4275 10.7588 10.7588 11.1493 11.1493 11.1569 11.1569 k = 0.0000 0.1364 0.6349 ( 3186 PWs) bands (ev): -11.5043 -11.5043 -11.4972 -11.4972 -10.2723 -10.2723 -10.2705 -10.2705 -4.7615 -4.7615 -4.7603 -4.7603 1.0682 1.0682 1.2783 1.2783 1.5145 1.5145 1.6002 1.6002 3.4107 3.4107 3.4800 3.4800 4.4398 4.4398 4.4423 4.4423 4.7317 4.7317 4.7364 4.7364 7.3255 7.3255 7.3437 7.3437 10.3680 10.3680 10.7474 10.7474 11.0931 11.0931 11.1214 11.1214 k = 0.0000 0.1515 0.6349 ( 3186 PWs) bands (ev): -11.4994 -11.4994 -11.4916 -11.4916 -10.2792 -10.2792 -10.2772 -10.2772 -4.7550 -4.7550 -4.7536 -4.7536 1.0105 1.0105 1.2256 1.2256 1.5019 1.5019 1.5857 1.5857 3.4856 3.4856 3.5544 3.5544 4.4274 4.4274 4.4309 4.4309 4.7554 4.7554 4.7605 4.7605 7.3386 7.3386 7.3591 7.3591 10.3035 10.3035 10.7258 10.7258 11.0378 11.0378 11.0979 11.0979 k = 0.0000 0.1667 0.6349 ( 3188 PWs) bands (ev): -11.4942 -11.4942 -11.4855 -11.4855 -10.2865 -10.2865 -10.2845 -10.2845 -4.7479 -4.7479 -4.7466 -4.7466 0.9514 0.9514 1.1690 1.1690 1.4920 1.4920 1.5723 1.5723 3.5614 3.5614 3.6284 3.6284 4.4161 4.4161 4.4209 4.4209 4.7800 4.7800 4.7856 4.7856 7.3530 7.3530 7.3758 7.3758 10.2344 10.2344 10.6905 10.6905 10.9950 10.9950 11.0782 11.0782 k = 0.0000 0.1818 0.6349 ( 3196 PWs) bands (ev): -11.4885 -11.4885 -11.4791 -11.4791 -10.2944 -10.2944 -10.2922 -10.2922 -4.7404 -4.7404 -4.7390 -4.7390 0.8915 0.8915 1.1105 1.1105 1.4836 1.4836 1.5598 1.5598 3.6368 3.6368 3.7009 3.7009 4.4066 4.4066 4.4131 4.4131 4.8054 4.8054 4.8114 4.8114 7.3687 7.3687 7.3939 7.3939 10.1613 10.1613 10.6405 10.6406 10.9659 10.9659 11.0618 11.0618 k = 0.0000 0.1970 0.6349 ( 3192 PWs) bands (ev): -11.4824 -11.4824 -11.4723 -11.4723 -10.3026 -10.3026 -10.3005 -10.3005 -4.7325 -4.7325 -4.7312 -4.7312 0.8315 0.8315 1.0512 1.0512 1.4761 1.4761 1.5482 1.5482 3.7105 3.7105 3.7702 3.7702 4.3996 4.3996 4.4085 4.4085 4.8315 4.8315 4.8378 4.8378 7.3855 7.3855 7.4132 7.4132 10.0850 10.0850 10.5782 10.5782 10.9483 10.9483 11.0483 11.0483 k = 0.0000 0.2121 0.6349 ( 3196 PWs) bands (ev): -11.4761 -11.4761 -11.4652 -11.4652 -10.3112 -10.3112 -10.3091 -10.3091 -4.7242 -4.7242 -4.7230 -4.7230 0.7720 0.7720 0.9921 0.9921 1.4692 1.4692 1.5373 1.5373 3.7807 3.7807 3.8346 3.8346 4.3963 4.3963 4.4085 4.4085 4.8580 4.8580 4.8646 4.8646 7.4035 7.4035 7.4337 7.4337 10.0061 10.0061 10.5074 10.5074 10.9387 10.9387 11.0372 11.0372 k = 0.0000 0.2273 0.6349 ( 3200 PWs) bands (ev): -11.4695 -11.4695 -11.4578 -11.4578 -10.3201 -10.3201 -10.3180 -10.3180 -4.7157 -4.7157 -4.7145 -4.7145 0.7135 0.7135 0.9338 0.9338 1.4627 1.4627 1.5271 1.5271 3.8454 3.8454 3.8920 3.8920 4.3985 4.3985 4.4147 4.4147 4.8847 4.8847 4.8917 4.8917 7.4227 7.4227 7.4553 7.4553 9.9250 9.9250 10.4311 10.4311 10.9343 10.9343 11.0281 11.0281 k = 0.0000 0.2424 0.6349 ( 3200 PWs) bands (ev): -11.4627 -11.4627 -11.4502 -11.4502 -10.3293 -10.3293 -10.3271 -10.3271 -4.7070 -4.7070 -4.7060 -4.7060 0.6563 0.6563 0.8767 0.8767 1.4565 1.4565 1.5174 1.5174 3.9023 3.9023 3.9403 3.9403 4.4080 4.4080 4.4290 4.4290 4.9115 4.9115 4.9187 4.9187 7.4430 7.4430 7.4782 7.4782 9.8423 9.8423 10.3517 10.3517 10.9330 10.9330 11.0208 11.0208 k = 0.0000 0.2576 0.6349 ( 3200 PWs) bands (ev): -11.4557 -11.4557 -11.4425 -11.4425 -10.3385 -10.3385 -10.3364 -10.3364 -4.6982 -4.6982 -4.6973 -4.6973 0.6008 0.6008 0.8214 0.8214 1.4506 1.4506 1.5084 1.5084 3.9491 3.9491 3.9780 3.9780 4.4268 4.4268 4.4527 4.4527 4.9380 4.9380 4.9454 4.9454 7.4645 7.4645 7.5021 7.5021 9.7585 9.7585 10.2705 10.2705 10.9337 10.9337 11.0149 11.0149 k = 0.0000 0.2727 0.6349 ( 3204 PWs) bands (ev): -11.4487 -11.4487 -11.4348 -11.4348 -10.3478 -10.3478 -10.3458 -10.3458 -4.6894 -4.6894 -4.6886 -4.6886 0.5473 0.5473 0.7681 0.7681 1.4449 1.4449 1.4999 1.4999 3.9844 3.9844 4.0045 4.0045 4.4560 4.4560 4.4860 4.4860 4.9641 4.9641 4.9717 4.9717 7.4871 7.4871 7.5271 7.5271 9.6741 9.6741 10.1885 10.1885 10.9357 10.9357 11.0102 11.0102 k = 0.0000 0.2879 0.6349 ( 3212 PWs) bands (ev): -11.4416 -11.4416 -11.4270 -11.4270 -10.3572 -10.3572 -10.3553 -10.3553 -4.6806 -4.6806 -4.6800 -4.6800 0.4961 0.4961 0.7171 0.7171 1.4395 1.4395 1.4920 1.4920 4.0082 4.0082 4.0210 4.0210 4.4952 4.4952 4.5275 4.5275 4.9896 4.9896 4.9972 4.9972 7.5109 7.5109 7.5530 7.5530 9.5895 9.5895 10.1066 10.1066 10.9384 10.9384 11.0066 11.0066 k = 0.0000 0.3030 0.6349 ( 3210 PWs) bands (ev): -11.4345 -11.4345 -11.4192 -11.4192 -10.3664 -10.3664 -10.3646 -10.3646 -4.6719 -4.6719 -4.6716 -4.6716 0.4475 0.4475 0.6687 0.6687 1.4344 1.4344 1.4846 1.4846 4.0221 4.0221 4.0294 4.0294 4.5424 4.5424 4.5751 4.5751 5.0141 5.0141 5.0217 5.0217 7.5358 7.5358 7.5799 7.5799 9.5052 9.5052 10.0253 10.0253 10.9417 10.9417 11.0038 11.0038 k = 0.0000 0.3182 0.6349 ( 3212 PWs) bands (ev): -11.4276 -11.4276 -11.4116 -11.4116 -10.3754 -10.3754 -10.3737 -10.3737 -4.6635 -4.6635 -4.6633 -4.6633 0.4016 0.4016 0.6230 0.6230 1.4295 1.4295 1.4777 1.4777 4.0285 4.0285 4.0319 4.0319 4.5950 4.5950 4.6262 4.6262 5.0374 5.0374 5.0450 5.0450 7.5618 7.5618 7.6075 7.6075 9.4216 9.4216 9.9452 9.9452 10.9453 10.9453 11.0017 11.0017 k = 0.0000 0.3333 0.6349 ( 3204 PWs) bands (ev): -11.4208 -11.4208 -11.4042 -11.4042 -10.3841 -10.3841 -10.3826 -10.3826 -4.6554 -4.6554 -4.6554 -4.6554 0.3586 0.3586 0.5803 0.5803 1.4250 1.4250 1.4714 1.4714 4.0297 4.0297 4.0304 4.0304 4.6505 4.6505 4.6788 4.6788 5.0593 5.0593 5.0668 5.0668 7.5888 7.5888 7.6358 7.6358 9.3392 9.3392 9.8671 9.8671 10.9490 10.9490 11.0002 11.0002 k = 0.0000 0.3485 0.6349 ( 3200 PWs) bands (ev): -11.4143 -11.4143 -11.3971 -11.3971 -10.3925 -10.3925 -10.3912 -10.3912 -4.6479 -4.6479 -4.6476 -4.6476 0.3188 0.3188 0.5408 0.5408 1.4208 1.4208 1.4656 1.4656 4.0263 4.0263 4.0276 4.0276 4.7066 4.7066 4.7312 4.7312 5.0796 5.0796 5.0869 5.0869 7.6169 7.6169 7.6644 7.6644 9.2586 9.2586 9.7914 9.7914 10.9527 10.9527 10.9992 10.9992 k = 0.0000 0.3636 0.6349 ( 3208 PWs) bands (ev): -11.4081 -11.4081 -11.3903 -11.3903 -10.4004 -10.4004 -10.3992 -10.3992 -4.6408 -4.6408 -4.6403 -4.6403 0.2823 0.2823 0.5046 0.5046 1.4169 1.4169 1.4604 1.4604 4.0207 4.0207 4.0233 4.0233 4.7617 4.7617 4.7821 4.7821 5.0979 5.0979 5.1050 5.1050 7.6457 7.6457 7.6931 7.6931 9.1805 9.1805 9.7188 9.7188 10.9564 10.9564 10.9985 10.9985 k = 0.0000 0.3788 0.6349 ( 3210 PWs) bands (ev): -11.4023 -11.4023 -11.3840 -11.3840 -10.4078 -10.4078 -10.4068 -10.4068 -4.6343 -4.6343 -4.6336 -4.6336 0.2493 0.2493 0.4718 0.4718 1.4134 1.4134 1.4557 1.4557 4.0144 4.0144 4.0180 4.0180 4.8146 4.8146 4.8306 4.8306 5.1142 5.1142 5.1209 5.1209 7.6751 7.6751 7.7214 7.7214 9.1055 9.1055 9.6502 9.6502 10.9598 10.9598 10.9982 10.9982 k = 0.0000 0.3939 0.6349 ( 3214 PWs) bands (ev): -11.3970 -11.3970 -11.3782 -11.3782 -10.4146 -10.4146 -10.4137 -10.4137 -4.6283 -4.6283 -4.6274 -4.6274 0.2198 0.2198 0.4426 0.4426 1.4103 1.4103 1.4515 1.4515 4.0080 4.0080 4.0122 4.0122 4.8643 4.8643 4.8758 4.8758 5.1280 5.1280 5.1345 5.1345 7.7046 7.7046 7.7490 7.7490 9.0345 9.0345 9.5862 9.5862 10.9630 10.9630 10.9980 10.9980 k = 0.0000 0.4091 0.6349 ( 3210 PWs) bands (ev): -11.3923 -11.3923 -11.3730 -11.3730 -10.4206 -10.4206 -10.4198 -10.4198 -4.6230 -4.6230 -4.6219 -4.6219 0.1940 0.1940 0.4170 0.4170 1.4076 1.4076 1.4479 1.4479 4.0018 4.0018 4.0064 4.0064 4.9099 4.9099 4.9170 4.9170 5.1393 5.1393 5.1456 5.1456 7.7337 7.7337 7.7753 7.7753 8.9685 8.9685 9.5278 9.5278 10.9659 10.9659 10.9980 10.9980 k = 0.0000 0.4242 0.6349 ( 3198 PWs) bands (ev): -11.3881 -11.3881 -11.3685 -11.3685 -10.4259 -10.4259 -10.4252 -10.4252 -4.6184 -4.6184 -4.6172 -4.6172 0.1720 0.1720 0.3952 0.3952 1.4053 1.4053 1.4449 1.4449 3.9961 3.9961 4.0011 4.0011 4.9508 4.9508 4.9539 4.9539 5.1480 5.1480 5.1541 5.1541 7.7615 7.7615 7.7995 7.7995 8.9086 8.9086 9.4759 9.4759 10.9685 10.9685 10.9982 10.9982 k = 0.0000 0.4394 0.6349 ( 3202 PWs) bands (ev): -11.3846 -11.3846 -11.3647 -11.3647 -10.4303 -10.4303 -10.4297 -10.4297 -4.6146 -4.6146 -4.6132 -4.6132 0.1538 0.1538 0.3773 0.3773 1.4034 1.4034 1.4424 1.4424 3.9912 3.9912 3.9964 3.9964 4.9856 4.9856 4.9863 4.9863 5.1539 5.1539 5.1601 5.1601 7.7872 7.7872 7.8208 7.8208 8.8562 8.8562 9.4316 9.4316 10.9706 10.9706 10.9983 10.9983 k = 0.0000 0.4545 0.6349 ( 3202 PWs) bands (ev): -11.3818 -11.3818 -11.3617 -11.3617 -10.4338 -10.4338 -10.4332 -10.4332 -4.6116 -4.6116 -4.6101 -4.6101 0.1397 0.1397 0.3633 0.3633 1.4019 1.4019 1.4404 1.4404 3.9872 3.9872 3.9926 3.9926 5.0118 5.0118 5.0157 5.0157 5.1572 5.1572 5.1637 5.1637 7.8094 7.8094 7.8385 7.8385 8.8128 8.8128 9.3957 9.3957 10.9724 10.9724 10.9985 10.9985 k = 0.0000 0.4697 0.6349 ( 3200 PWs) bands (ev): -11.3798 -11.3798 -11.3595 -11.3595 -10.4364 -10.4364 -10.4358 -10.4358 -4.6094 -4.6094 -4.6079 -4.6079 0.1295 0.1295 0.3532 0.3532 1.4008 1.4008 1.4390 1.4390 3.9843 3.9843 3.9898 3.9898 5.0315 5.0315 5.0382 5.0382 5.1585 5.1585 5.1655 5.1655 7.8267 7.8267 7.8519 7.8519 8.7803 8.7803 9.3694 9.3694 10.9736 10.9736 10.9986 10.9986 k = 0.0000 0.4848 0.6349 ( 3200 PWs) bands (ev): -11.3786 -11.3786 -11.3581 -11.3581 -10.4379 -10.4379 -10.4373 -10.4373 -4.6081 -4.6081 -4.6065 -4.6065 0.1234 0.1234 0.3472 0.3472 1.4002 1.4002 1.4382 1.4382 3.9825 3.9825 3.9881 3.9881 5.0439 5.0439 5.0526 5.0526 5.1584 5.1584 5.1661 5.1661 7.8378 7.8378 7.8602 7.8602 8.7600 8.7600 9.3532 9.3532 10.9744 10.9744 10.9987 10.9987 k = 0.0000 0.5000 0.6349 ( 3212 PWs) bands (ev): -11.3782 -11.3782 -11.3577 -11.3577 -10.4384 -10.4384 -10.4378 -10.4378 -4.6077 -4.6077 -4.6060 -4.6060 0.1213 0.1213 0.3452 0.3452 1.4000 1.4000 1.4379 1.4379 3.9819 3.9819 3.9875 3.9875 5.0482 5.0482 5.0576 5.0576 5.1583 5.1583 5.1662 5.1662 7.8416 7.8416 7.8630 7.8630 8.7530 8.7530 9.3477 9.3477 10.9746 10.9746 10.9987 10.9987 k = 0.0000 0.5000 0.6349 ( 3212 PWs) bands (ev): -11.3782 -11.3782 -11.3577 -11.3577 -10.4384 -10.4384 -10.4378 -10.4378 -4.6077 -4.6077 -4.6060 -4.6060 0.1213 0.1213 0.3452 0.3452 1.4000 1.4000 1.4379 1.4379 3.9819 3.9819 3.9875 3.9875 5.0482 5.0482 5.0576 5.0576 5.1583 5.1583 5.1662 5.1662 7.8416 7.8416 7.8630 7.8630 8.7530 8.7530 9.3477 9.3477 10.9746 10.9746 10.9987 10.9987 k = 0.0152 0.5000 0.6349 ( 3208 PWs) bands (ev): -11.3782 -11.3782 -11.3577 -11.3577 -10.4382 -10.4382 -10.4376 -10.4376 -4.6090 -4.6090 -4.6073 -4.6073 0.1240 0.1240 0.3479 0.3479 1.3986 1.3986 1.4367 1.4367 3.9839 3.9839 3.9895 3.9895 5.0458 5.0458 5.0554 5.0554 5.1588 5.1588 5.1668 5.1668 7.8348 7.8348 7.8523 7.8523 8.7643 8.7643 9.3548 9.3548 10.9748 10.9748 10.9991 10.9991 k = 0.0303 0.5000 0.6349 ( 3200 PWs) bands (ev): -11.3783 -11.3783 -11.3578 -11.3578 -10.4375 -10.4375 -10.4368 -10.4368 -4.6128 -4.6128 -4.6110 -4.6110 0.1320 0.1320 0.3559 0.3559 1.3946 1.3946 1.4331 1.4331 3.9899 3.9899 3.9954 3.9954 5.0388 5.0388 5.0489 5.0489 5.1606 5.1606 5.1685 5.1685 7.8148 7.8148 7.8219 7.8219 8.7966 8.7966 9.3756 9.3756 10.9756 10.9756 11.0003 11.0003 k = 0.0455 0.5000 0.6349 ( 3196 PWs) bands (ev): -11.3783 -11.3783 -11.3580 -11.3580 -10.4362 -10.4362 -10.4356 -10.4356 -4.6191 -4.6191 -4.6172 -4.6172 0.1451 0.1451 0.3692 0.3692 1.3881 1.3881 1.4273 1.4273 3.9997 3.9997 4.0051 4.0051 5.0271 5.0271 5.0382 5.0382 5.1634 5.1634 5.1712 5.1712 7.7757 7.7757 7.7830 7.7830 8.8460 8.8460 9.4088 9.4088 10.9768 10.9768 11.0022 11.0022 k = 0.0606 0.5000 0.6349 ( 3200 PWs) bands (ev): -11.3784 -11.3784 -11.3583 -11.3583 -10.4345 -10.4345 -10.4339 -10.4339 -4.6279 -4.6279 -4.6258 -4.6258 0.1634 0.1634 0.3876 0.3876 1.3793 1.3793 1.4194 1.4194 4.0132 4.0132 4.0185 4.0185 5.0109 5.0109 5.0233 5.0233 5.1671 5.1671 5.1748 5.1748 7.7181 7.7181 7.7409 7.7409 8.9082 8.9082 9.4528 9.4528 10.9786 10.9786 11.0049 11.0049 k = 0.0758 0.5000 0.6349 ( 3200 PWs) bands (ev): -11.3784 -11.3784 -11.3586 -11.3586 -10.4324 -10.4324 -10.4318 -10.4318 -4.6389 -4.6389 -4.6367 -4.6367 0.1864 0.1864 0.4109 0.4109 1.3684 1.3684 1.4097 1.4097 4.0301 4.0301 4.0352 4.0352 4.9903 4.9903 5.0044 5.0044 5.1716 5.1716 5.1793 5.1793 7.6530 7.6530 7.6907 7.6907 8.9792 8.9792 9.5057 9.5057 10.9808 10.9808 11.0083 11.0083 k = 0.0909 0.5000 0.6349 ( 3200 PWs) bands (ev): -11.3785 -11.3785 -11.3590 -11.3590 -10.4298 -10.4298 -10.4292 -10.4292 -4.6521 -4.6521 -4.6496 -4.6496 0.2142 0.2142 0.4389 0.4389 1.3558 1.3558 1.3985 1.3985 4.0501 4.0501 4.0551 4.0551 4.9653 4.9653 4.9814 4.9814 5.1770 5.1770 5.1846 5.1846 7.5834 7.5834 7.6341 7.6341 9.0562 9.0562 9.5656 9.5656 10.9835 10.9835 11.0126 11.0126 k = 0.1061 0.5000 0.6349 ( 3196 PWs) bands (ev): -11.3787 -11.3787 -11.3594 -11.3594 -10.4268 -10.4268 -10.4261 -10.4261 -4.6673 -4.6673 -4.6646 -4.6646 0.2461 0.2461 0.4712 0.4712 1.3420 1.3420 1.3863 1.3863 4.0727 4.0727 4.0776 4.0776 4.9360 4.9360 4.9543 4.9543 5.1831 5.1831 5.1906 5.1906 7.5114 7.5114 7.5730 7.5730 9.1372 9.1372 9.6308 9.6308 10.9866 10.9866 11.0175 11.0175 k = 0.1212 0.5000 0.6349 ( 3192 PWs) bands (ev): -11.3788 -11.3788 -11.3599 -11.3599 -10.4234 -10.4234 -10.4227 -10.4227 -4.6843 -4.6843 -4.6813 -4.6813 0.2820 0.2820 0.5073 0.5073 1.3275 1.3275 1.3735 1.3735 4.0976 4.0976 4.1025 4.1025 4.9024 4.9024 4.9233 4.9233 5.1899 5.1899 5.1973 5.1973 7.4386 7.4386 7.5089 7.5089 9.2205 9.2205 9.6999 9.6999 10.9903 10.9903 11.0232 11.0232 k = 0.1364 0.5000 0.6349 ( 3196 PWs) bands (ev): -11.3789 -11.3789 -11.3605 -11.3605 -10.4197 -10.4197 -10.4189 -10.4189 -4.7029 -4.7029 -4.6997 -4.6997 0.3212 0.3212 0.5466 0.5466 1.3131 1.3131 1.3608 1.3608 4.1241 4.1241 4.1291 4.1291 4.8647 4.8647 4.8884 4.8884 5.1974 5.1974 5.2047 5.2047 7.3662 7.3662 7.4430 7.4430 9.3050 9.3050 9.7717 9.7717 10.9943 10.9943 11.0296 11.0296 k = 0.1515 0.5000 0.6349 ( 3204 PWs) bands (ev): -11.3790 -11.3790 -11.3611 -11.3611 -10.4156 -10.4156 -10.4148 -10.4148 -4.7230 -4.7230 -4.7194 -4.7194 0.3633 0.3633 0.5884 0.5884 1.2995 1.2995 1.3487 1.3487 4.1517 4.1517 4.1570 4.1570 4.8232 4.8232 4.8497 4.8497 5.2056 5.2056 5.2128 5.2128 7.2951 7.2951 7.3764 7.3764 9.3901 9.3901 9.8452 9.8452 10.9988 10.9988 11.0368 11.0368 k = 0.1667 0.5000 0.6349 ( 3204 PWs) bands (ev): -11.3791 -11.3791 -11.3617 -11.3617 -10.4112 -10.4112 -10.4104 -10.4104 -4.7442 -4.7442 -4.7404 -4.7404 0.4073 0.4073 0.6317 0.6317 1.2879 1.2879 1.3382 1.3382 4.1793 4.1793 4.1855 4.1855 4.7784 4.7784 4.8076 4.8076 5.2144 5.2144 5.2214 5.2214 7.2259 7.2259 7.3100 7.3100 9.4749 9.4749 9.9194 9.9194 11.0037 11.0037 11.0446 11.0446 k = 0.1818 0.5000 0.6349 ( 3204 PWs) bands (ev): -11.3793 -11.3793 -11.3624 -11.3624 -10.4066 -10.4066 -10.4057 -10.4057 -4.7663 -4.7663 -4.7623 -4.7623 0.4526 0.4526 0.6750 0.6750 1.2798 1.2798 1.3300 1.3300 4.2060 4.2060 4.2136 4.2136 4.7311 4.7311 4.7627 4.7627 5.2238 5.2238 5.2307 5.2307 7.1591 7.1591 7.2446 7.2446 9.5591 9.5591 9.9938 9.9938 11.0090 11.0090 11.0531 11.0531 k = 0.1970 0.5000 0.6349 ( 3200 PWs) bands (ev): -11.3794 -11.3794 -11.3631 -11.3631 -10.4017 -10.4017 -10.4008 -10.4008 -4.7892 -4.7892 -4.7850 -4.7850 0.4979 0.4979 0.7166 0.7166 1.2768 1.2768 1.3253 1.3253 4.2299 4.2299 4.2400 4.2400 4.6827 4.6827 4.7158 4.7158 5.2337 5.2337 5.2404 5.2404 7.0952 7.0952 7.1808 7.1808 9.6422 9.6422 10.0676 10.0676 11.0148 11.0148 11.0622 11.0622 k = 0.2121 0.5000 0.6349 ( 3204 PWs) bands (ev): -11.3795 -11.3795 -11.3638 -11.3638 -10.3967 -10.3967 -10.3958 -10.3958 -4.8126 -4.8126 -4.8082 -4.8082 0.5421 0.5421 0.7543 0.7543 1.2813 1.2813 1.3255 1.3255 4.2482 4.2482 4.2627 4.2627 4.6359 4.6359 4.6688 4.6688 5.2440 5.2440 5.2506 5.2506 7.0344 7.0344 7.1189 7.1189 9.7239 9.7239 10.1405 10.1405 11.0210 11.0210 11.0720 11.0720 k = 0.2273 0.5000 0.6349 ( 3196 PWs) bands (ev): -11.3796 -11.3796 -11.3645 -11.3645 -10.3916 -10.3916 -10.3906 -10.3906 -4.8362 -4.8362 -4.8317 -4.8317 0.5837 0.5837 0.7858 0.7858 1.2956 1.2956 1.3319 1.3319 4.2563 4.2563 4.2784 4.2784 4.5951 4.5951 4.6248 4.6248 5.2548 5.2548 5.2611 5.2611 6.9769 6.9769 7.0595 7.0595 9.8039 9.8039 10.2118 10.2118 11.0278 11.0278 11.0824 11.0824 k = 0.2424 0.5000 0.6349 ( 3192 PWs) bands (ev): -11.3797 -11.3797 -11.3653 -11.3653 -10.3864 -10.3864 -10.3853 -10.3853 -4.8600 -4.8600 -4.8553 -4.8553 0.6213 0.6213 0.8091 0.8091 1.3215 1.3215 1.3459 1.3459 4.2480 4.2480 4.2815 4.2815 4.5663 4.5663 4.5890 4.5890 5.2659 5.2659 5.2720 5.2720 6.9228 6.9228 7.0028 7.0028 9.8821 9.8821 10.2811 10.2811 11.0351 11.0351 11.0935 11.0935 k = 0.2576 0.5000 0.6349 ( 3188 PWs) bands (ev): -11.3797 -11.3797 -11.3661 -11.3661 -10.3811 -10.3811 -10.3800 -10.3800 -4.8835 -4.8835 -4.8787 -4.8787 0.6535 0.6535 0.8236 0.8236 1.3599 1.3599 1.3690 1.3690 4.2187 4.2187 4.2658 4.2658 4.5540 4.5540 4.5675 4.5675 5.2772 5.2772 5.2830 5.2830 6.8723 6.8723 6.9490 6.9490 9.9580 9.9580 10.3480 10.3480 11.0430 11.0430 11.1051 11.1051 k = 0.2727 0.5000 0.6349 ( 3188 PWs) bands (ev): -11.3798 -11.3798 -11.3668 -11.3668 -10.3759 -10.3759 -10.3747 -10.3747 -4.9067 -4.9067 -4.9019 -4.9019 0.6794 0.6794 0.8299 0.8299 1.4018 1.4018 1.4099 1.4099 4.1696 4.1696 4.2287 4.2287 4.5572 4.5572 4.5629 4.5629 5.2887 5.2887 5.2942 5.2942 6.8254 6.8254 6.8983 6.8983 10.0317 10.0317 10.4121 10.4121 11.0517 11.0517 11.1172 11.1172 k = 0.2879 0.5000 0.6349 ( 3188 PWs) bands (ev): -11.3798 -11.3798 -11.3676 -11.3676 -10.3707 -10.3707 -10.3695 -10.3695 -4.9293 -4.9293 -4.9246 -4.9246 0.6988 0.6988 0.8294 0.8294 1.4446 1.4446 1.4700 1.4700 4.1056 4.1056 4.1739 4.1739 4.5707 4.5707 4.5717 4.5717 5.3001 5.3001 5.3053 5.3053 6.7820 6.7820 6.8508 6.8508 10.1028 10.1028 10.4728 10.4728 11.0614 11.0614 11.1298 11.1298 k = 0.3030 0.5000 0.6349 ( 3204 PWs) bands (ev): -11.3798 -11.3798 -11.3684 -11.3684 -10.3656 -10.3656 -10.3644 -10.3644 -4.9511 -4.9511 -4.9465 -4.9465 0.7121 0.7121 0.8240 0.8240 1.4970 1.4970 1.5383 1.5383 4.0316 4.0316 4.1066 4.1066 4.5883 4.5883 4.5902 4.5902 5.3115 5.3115 5.3163 5.3163 6.7422 6.7422 6.8065 6.8065 10.1713 10.1713 10.5296 10.5296 11.0723 11.0723 11.1430 11.1430 k = 0.3182 0.5000 0.6349 ( 3216 PWs) bands (ev): -11.3797 -11.3797 -11.3692 -11.3692 -10.3606 -10.3606 -10.3595 -10.3595 -4.9721 -4.9721 -4.9676 -4.9676 0.7202 0.7202 0.8153 0.8153 1.5580 1.5580 1.6131 1.6131 3.9507 3.9507 4.0309 4.0309 4.6090 4.6090 4.6122 4.6122 5.3226 5.3226 5.3271 5.3271 6.7058 6.7058 6.7655 6.7655 10.2369 10.2369 10.5818 10.5818 11.0847 11.0847 11.1565 11.1565 k = 0.3333 0.5000 0.6349 ( 3216 PWs) bands (ev): -11.3797 -11.3797 -11.3699 -11.3699 -10.3559 -10.3559 -10.3548 -10.3548 -4.9919 -4.9919 -4.9876 -4.9876 0.7239 0.7239 0.8046 0.8046 1.6263 1.6263 1.6929 1.6929 3.8649 3.8649 3.9494 3.9494 4.6312 4.6312 4.6351 4.6351 5.3334 5.3334 5.3376 5.3376 6.6729 6.6729 6.7278 6.7278 10.2995 10.2995 10.6290 10.6290 11.0988 11.0988 11.1705 11.1705 k = 0.3485 0.5000 0.6349 ( 3216 PWs) bands (ev): -11.3796 -11.3796 -11.3706 -11.3706 -10.3514 -10.3514 -10.3503 -10.3503 -5.0105 -5.0105 -5.0065 -5.0065 0.7246 0.7246 0.7928 0.7928 1.7008 1.7008 1.7766 1.7766 3.7757 3.7757 3.8638 3.8638 4.6536 4.6536 4.6578 4.6578 5.3438 5.3438 5.3476 5.3476 6.6434 6.6434 6.6934 6.6934 10.3589 10.3589 10.6703 10.6703 11.1149 11.1149 11.1847 11.1847 k = 0.3636 0.5000 0.6349 ( 3212 PWs) bands (ev): -11.3794 -11.3794 -11.3714 -11.3714 -10.3472 -10.3472 -10.3461 -10.3461 -5.0278 -5.0278 -5.0240 -5.0240 0.7231 0.7231 0.7806 0.7806 1.7803 1.7803 1.8630 1.8630 3.6841 3.6841 3.7750 3.7750 4.6752 4.6752 4.6795 4.6795 5.3536 5.3536 5.3570 5.3570 6.6171 6.6171 6.6622 6.6622 10.4151 10.4151 10.7054 10.7054 11.1332 11.1332 11.1991 11.1991 k = 0.3788 0.5000 0.6349 ( 3216 PWs) bands (ev): -11.3793 -11.3793 -11.3721 -11.3721 -10.3433 -10.3433 -10.3423 -10.3423 -5.0435 -5.0435 -5.0400 -5.0400 0.7203 0.7203 0.7685 0.7685 1.8635 1.8635 1.9514 1.9514 3.5911 3.5911 3.6840 3.6840 4.6956 4.6956 4.6998 4.6998 5.3627 5.3627 5.3657 5.3657 6.5941 6.5941 6.6342 6.6342 10.4677 10.4677 10.7338 10.7338 11.1533 11.1533 11.2136 11.2136 k = 0.3939 0.5000 0.6349 ( 3220 PWs) bands (ev): -11.3791 -11.3791 -11.3727 -11.3727 -10.3397 -10.3397 -10.3388 -10.3388 -5.0576 -5.0576 -5.0545 -5.0545 0.7169 0.7169 0.7570 0.7570 1.9495 1.9495 2.0408 2.0408 3.4975 3.4975 3.5916 3.5916 4.7143 4.7143 4.7182 4.7182 5.3710 5.3710 5.3737 5.3737 6.5743 6.5743 6.6094 6.6094 10.5166 10.5166 10.7555 10.7555 11.1749 11.1749 11.2278 11.2278 k = 0.4091 0.5000 0.6349 ( 3228 PWs) bands (ev): -11.3789 -11.3789 -11.3734 -11.3734 -10.3366 -10.3366 -10.3357 -10.3357 -5.0700 -5.0700 -5.0673 -5.0673 0.7133 0.7133 0.7462 0.7462 2.0371 2.0371 2.1299 2.1299 3.4046 3.4046 3.4988 3.4988 4.7311 4.7311 4.7346 4.7346 5.3784 5.3784 5.3807 5.3807 6.5575 6.5575 6.5876 6.5876 10.5618 10.5618 10.7707 10.7707 11.1971 11.1971 11.2415 11.2415 k = 0.4242 0.5000 0.6349 ( 3228 PWs) bands (ev): -11.3786 -11.3786 -11.3740 -11.3740 -10.3339 -10.3339 -10.3330 -10.3330 -5.0806 -5.0806 -5.0783 -5.0783 0.7101 0.7101 0.7365 0.7365 2.1251 2.1251 2.2173 2.2173 3.3139 3.3139 3.4066 3.4066 4.7456 4.7456 4.7487 4.7487 5.3848 5.3848 5.3868 5.3868 6.5438 6.5438 6.5689 6.5689 10.6030 10.6030 10.7797 10.7797 11.2189 11.2189 11.2543 11.2543 k = 0.4394 0.5000 0.6349 ( 3212 PWs) bands (ev): -11.3783 -11.3783 -11.3746 -11.3746 -10.3316 -10.3316 -10.3308 -10.3308 -5.0894 -5.0894 -5.0874 -5.0874 0.7074 0.7074 0.7280 0.7280 2.2120 2.2120 2.3006 2.3006 3.2279 3.2279 3.3165 3.3165 4.7578 4.7578 4.7603 4.7603 5.3902 5.3902 5.3918 5.3918 6.5332 6.5332 6.5532 6.5532 10.6402 10.6402 10.7831 10.7831 11.2390 11.2390 11.2657 11.2657 k = 0.4545 0.5000 0.6349 ( 3220 PWs) bands (ev): -11.3780 -11.3780 -11.3752 -11.3752 -10.3298 -10.3298 -10.3291 -10.3291 -5.0962 -5.0962 -5.0947 -5.0947 0.7056 0.7056 0.7207 0.7207 2.2952 2.2952 2.3756 2.3756 3.1507 3.1507 3.2309 3.2309 4.7675 4.7675 4.7694 4.7694 5.3945 5.3945 5.3958 5.3958 6.5254 6.5254 6.5405 6.5405 10.6732 10.6732 10.7812 10.7812 11.2563 11.2563 11.2751 11.2751 k = 0.4697 0.5000 0.6349 ( 3220 PWs) bands (ev): -11.3776 -11.3776 -11.3757 -11.3757 -10.3285 -10.3285 -10.3278 -10.3278 -5.1010 -5.1010 -5.1000 -5.1000 0.7049 0.7049 0.7148 0.7148 2.3708 2.3708 2.4354 2.4354 3.0893 3.0893 3.1536 3.1536 4.7745 4.7745 4.7759 4.7759 5.3976 5.3976 5.3986 5.3986 6.5207 6.5207 6.5307 6.5307 10.7021 10.7021 10.7744 10.7744 11.2700 11.2700 11.2818 11.2818 k = 0.4848 0.5000 0.6349 ( 3216 PWs) bands (ev): -11.3772 -11.3772 -11.3762 -11.3762 -10.3277 -10.3277 -10.3271 -10.3271 -5.1038 -5.1038 -5.1033 -5.1033 0.7054 0.7054 0.7103 0.7103 2.4319 2.4319 2.4695 2.4695 3.0542 3.0542 3.0916 3.0916 4.7789 4.7789 4.7797 4.7797 5.3995 5.3995 5.4003 5.4003 6.5188 6.5188 6.5239 6.5239 10.7267 10.7267 10.7629 10.7629 11.2795 11.2795 11.2851 11.2851 k = 0.5000 0.5000 0.6349 ( 3216 PWs) bands (ev): -11.3770 -11.3770 -11.3764 -11.3764 -10.3275 -10.3275 -10.3268 -10.3268 -5.1046 -5.1046 -5.1045 -5.1045 0.7071 0.7071 0.7073 0.7073 2.4680 2.4680 2.4683 2.4683 3.0549 3.0549 3.0553 3.0553 4.7805 4.7805 4.7808 4.7808 5.4002 5.4002 5.4008 5.4008 6.5197 6.5197 6.5201 6.5201 10.7469 10.7469 10.7470 10.7470 11.2845 11.2845 11.2845 11.2845 k = 0.5000 0.5000 0.6349 ( 3216 PWs) bands (ev): -11.3770 -11.3770 -11.3764 -11.3764 -10.3275 -10.3275 -10.3268 -10.3268 -5.1046 -5.1046 -5.1045 -5.1045 0.7071 0.7071 0.7073 0.7073 2.4680 2.4680 2.4683 2.4683 3.0549 3.0549 3.0553 3.0553 4.7805 4.7805 4.7808 4.7808 5.4002 5.4002 5.4008 5.4008 6.5197 6.5197 6.5201 6.5201 10.7469 10.7469 10.7470 10.7470 11.2845 11.2845 11.2845 11.2845 k = 0.4894 0.4894 0.6349 ( 3216 PWs) bands (ev): -11.3774 -11.3774 -11.3760 -11.3760 -10.3275 -10.3275 -10.3273 -10.3273 -5.1043 -5.1043 -5.1028 -5.1028 0.7054 0.7054 0.7103 0.7103 2.4261 2.4261 2.4768 2.4768 3.0462 3.0462 3.0980 3.0980 4.7785 4.7785 4.7802 4.7802 5.3993 5.3993 5.4005 5.4005 6.5188 6.5188 6.5239 6.5239 10.7266 10.7266 10.7630 10.7630 11.2789 11.2789 11.2858 11.2858 k = 0.4787 0.4787 0.6349 ( 3220 PWs) bands (ev): -11.3780 -11.3780 -11.3753 -11.3753 -10.3292 -10.3292 -10.3271 -10.3271 -5.1035 -5.1035 -5.0976 -5.0976 0.7049 0.7049 0.7147 0.7147 2.3407 2.3407 2.4780 2.4780 3.0446 3.0446 3.1857 3.1857 4.7726 4.7726 4.7780 4.7780 5.3966 5.3966 5.3997 5.3997 6.5204 6.5204 6.5309 6.5309 10.7009 10.7009 10.7757 10.7757 11.2666 11.2666 11.2860 11.2860 k = 0.4681 0.4681 0.6349 ( 3224 PWs) bands (ev): -11.3789 -11.3789 -11.3742 -11.3742 -10.3322 -10.3322 -10.3266 -10.3266 -5.1021 -5.1021 -5.0891 -5.0891 0.7058 0.7058 0.7205 0.7205 2.2305 2.2305 2.4782 2.4782 3.0437 3.0437 3.2997 3.2997 4.7630 4.7630 4.7744 4.7744 5.3921 5.3921 5.3982 5.3982 6.5246 6.5246 6.5409 6.5409 10.6685 10.6685 10.7859 10.7859 11.2486 11.2486 11.2860 11.2860 k = 0.4574 0.4574 0.6349 ( 3224 PWs) bands (ev): -11.3801 -11.3801 -11.3729 -11.3729 -10.3362 -10.3362 -10.3260 -10.3260 -5.1002 -5.1002 -5.0772 -5.0772 0.7079 0.7079 0.7277 0.7277 2.1091 2.1091 2.4780 2.4780 3.0429 3.0429 3.4261 3.4261 4.7499 4.7499 4.7693 4.7693 5.3860 5.3860 5.3961 5.3961 6.5315 6.5315 6.5541 6.5541 10.6285 10.6285 10.7943 10.7943 11.2272 11.2272 11.2861 11.2861 k = 0.4468 0.4468 0.6349 ( 3216 PWs) bands (ev): -11.3816 -11.3816 -11.3712 -11.3712 -10.3413 -10.3413 -10.3251 -10.3251 -5.0977 -5.0977 -5.0623 -5.0623 0.7111 0.7111 0.7362 0.7362 1.9834 1.9834 2.4776 2.4776 3.0419 3.0419 3.5579 3.5579 4.7334 4.7334 4.7630 4.7630 5.3781 5.3781 5.3933 5.3933 6.5411 6.5411 6.5704 6.5704 10.5803 10.5803 10.8013 10.8013 11.2047 11.2047 11.2864 11.2864 k = 0.4362 0.4362 0.6349 ( 3220 PWs) bands (ev): -11.3834 -11.3834 -11.3693 -11.3693 -10.3472 -10.3472 -10.3241 -10.3241 -5.0947 -5.0947 -5.0443 -5.0443 0.7154 0.7154 0.7459 0.7459 1.8567 1.8567 2.4770 2.4770 3.0408 3.0408 3.6913 3.6913 4.7139 4.7139 4.7554 4.7554 5.3685 5.3685 5.3898 5.3898 6.5539 6.5539 6.5895 6.5895 10.5235 10.5235 10.8071 10.8071 11.1828 11.1828 11.2870 11.2870 k = 0.4255 0.4255 0.6349 ( 3216 PWs) bands (ev): -11.3855 -11.3855 -11.3671 -11.3671 -10.3540 -10.3540 -10.3229 -10.3229 -5.0911 -5.0911 -5.0237 -5.0237 0.7206 0.7206 0.7569 0.7569 1.7313 1.7313 2.4763 2.4763 3.0396 3.0396 3.8240 3.8240 4.6917 4.6917 4.7466 4.7466 5.3573 5.3573 5.3856 5.3856 6.5700 6.5700 6.6112 6.6112 10.4585 10.4585 10.8120 10.8120 11.1627 11.1627 11.2881 11.2881 k = 0.4149 0.4149 0.6349 ( 3208 PWs) bands (ev): -11.3879 -11.3879 -11.3648 -11.3648 -10.3614 -10.3614 -10.3215 -10.3215 -5.0870 -5.0870 -5.0005 -5.0005 0.7266 0.7266 0.7691 0.7691 1.6084 1.6084 2.4754 2.4754 3.0382 3.0382 3.9540 3.9540 4.6673 4.6673 4.7367 4.7367 5.3445 5.3445 5.3805 5.3805 6.5899 6.5899 6.6356 6.6356 10.3859 10.3859 10.8160 10.8160 11.1448 11.1448 11.2899 11.2899 k = 0.4043 0.4043 0.6349 ( 3212 PWs) bands (ev): -11.3906 -11.3906 -11.3624 -11.3624 -10.3693 -10.3693 -10.3200 -10.3200 -5.0824 -5.0824 -4.9751 -4.9751 0.7330 0.7330 0.7825 0.7825 1.4893 1.4893 2.4741 2.4741 3.0368 3.0368 4.0799 4.0799 4.6410 4.6410 4.7258 4.7258 5.3302 5.3302 5.3747 5.3747 6.6139 6.6139 6.6624 6.6624 10.3065 10.3065 10.8192 10.8192 11.1293 11.1293 11.2924 11.2924 k = 0.3936 0.3936 0.6349 ( 3212 PWs) bands (ev): -11.3935 -11.3935 -11.3601 -11.3601 -10.3775 -10.3775 -10.3183 -10.3183 -5.0773 -5.0773 -4.9478 -4.9478 0.7395 0.7395 0.7969 0.7969 1.3750 1.3750 2.4726 2.4726 3.0352 3.0352 4.2001 4.2001 4.6133 4.6133 4.7141 4.7141 5.3144 5.3144 5.3679 5.3679 6.6423 6.6423 6.6919 6.6919 10.2215 10.2215 10.8216 10.8216 11.1159 11.1159 11.2958 11.2958 k = 0.3830 0.3830 0.6349 ( 3208 PWs) bands (ev): -11.3967 -11.3967 -11.3578 -11.3578 -10.3859 -10.3859 -10.3164 -10.3164 -5.0716 -5.0716 -4.9190 -4.9190 0.7452 0.7452 0.8124 0.8124 1.2668 1.2668 2.4707 2.4707 3.0335 3.0335 4.3133 4.3133 4.5844 4.5844 4.7017 4.7017 5.2972 5.2972 5.3602 5.3602 6.6749 6.6749 6.7246 6.7246 10.1319 10.1319 10.8230 10.8230 11.1043 11.1043 11.3002 11.3002 k = 0.3723 0.3723 0.6349 ( 3200 PWs) bands (ev): -11.4002 -11.4002 -11.3556 -11.3556 -10.3942 -10.3942 -10.3144 -10.3144 -5.0655 -5.0655 -4.8889 -4.8889 0.7490 0.7490 0.8288 0.8288 1.1666 1.1666 2.4682 2.4682 3.0318 3.0318 4.4181 4.4181 4.5550 4.5550 4.6887 4.6887 5.2787 5.2787 5.3516 5.3516 6.7105 6.7105 6.7622 6.7622 10.0387 10.0387 10.8235 10.8235 11.0942 11.0942 11.3056 11.3056 k = 0.3617 0.3617 0.6349 ( 3198 PWs) bands (ev): -11.4038 -11.4038 -11.3538 -11.3538 -10.4022 -10.4022 -10.3123 -10.3123 -5.0589 -5.0589 -4.8581 -4.8581 0.7481 0.7481 0.8460 0.8460 1.0774 1.0774 2.4652 2.4652 3.0300 3.0300 4.5126 4.5126 4.5256 4.5256 4.6758 4.6758 5.2589 5.2589 5.3419 5.3419 6.7468 6.7468 6.8072 6.8072 9.9428 9.9428 10.8232 10.8232 11.0854 11.0854 11.3122 11.3122 k = 0.3511 0.3511 0.6349 ( 3202 PWs) bands (ev): -11.4077 -11.4077 -11.3523 -11.3523 -10.4099 -10.4099 -10.3101 -10.3101 -5.0518 -5.0518 -4.8269 -4.8269 0.7378 0.7378 0.8641 0.8641 1.0044 1.0044 2.4615 2.4615 3.0283 3.0283 4.4959 4.4959 4.5944 4.5944 4.6651 4.6651 5.2380 5.2380 5.3311 5.3311 6.7819 6.7819 6.8616 6.8616 9.8453 9.8453 10.8219 10.8219 11.0774 11.0774 11.3199 11.3199 k = 0.3404 0.3404 0.6349 ( 3210 PWs) bands (ev): -11.4118 -11.4118 -11.3513 -11.3513 -10.4169 -10.4169 -10.3077 -10.3077 -5.0442 -5.0442 -4.7958 -4.7958 0.7117 0.7117 0.8829 0.8829 0.9545 0.9545 2.4570 2.4570 3.0265 3.0265 4.4670 4.4670 4.6343 4.6343 4.6841 4.6841 5.2160 5.2160 5.3192 5.3192 6.8156 6.8156 6.9258 6.9258 9.7469 9.7469 10.8199 10.8199 11.0701 11.0701 11.3286 11.3286 k = 0.3298 0.3298 0.6349 ( 3214 PWs) bands (ev): -11.4161 -11.4161 -11.3509 -11.3509 -10.4232 -10.4232 -10.3052 -10.3052 -5.0362 -5.0362 -4.7653 -4.7653 0.6683 0.6683 0.9024 0.9024 0.9295 0.9295 2.4515 2.4515 3.0247 3.0247 4.4393 4.4393 4.6257 4.6257 4.7397 4.7397 5.1930 5.1930 5.3063 5.3063 6.8480 6.8480 6.9988 6.9988 9.6488 9.6488 10.8172 10.8172 11.0633 11.0633 11.3384 11.3384 k = 0.3191 0.3191 0.6349 ( 3222 PWs) bands (ev): -11.4205 -11.4205 -11.3511 -11.3511 -10.4285 -10.4285 -10.3027 -10.3027 -5.0278 -5.0278 -4.7356 -4.7356 0.6145 0.6145 0.9225 0.9225 0.9229 0.9229 2.4448 2.4448 3.0230 3.0230 4.4129 4.4129 4.6119 4.6119 4.7880 4.7880 5.1691 5.1691 5.2922 5.2922 6.8795 6.8795 7.0797 7.0797 9.5521 9.5521 10.8140 10.8140 11.0567 11.0567 11.3491 11.3491 k = 0.3085 0.3085 0.6349 ( 3210 PWs) bands (ev): -11.4250 -11.4250 -11.3520 -11.3520 -10.4327 -10.4327 -10.3000 -10.3000 -5.0190 -5.0190 -4.7074 -4.7074 0.5587 0.5587 0.9266 0.9266 0.9433 0.9433 2.4369 2.4369 3.0213 3.0213 4.3883 4.3883 4.5974 4.5974 4.8249 4.8249 5.1445 5.1445 5.2769 5.2769 6.9100 6.9100 7.1669 7.1669 9.4579 9.4579 10.8104 10.8104 11.0502 11.0502 11.3607 11.3607 k = 0.2979 0.2979 0.6349 ( 3218 PWs) bands (ev): -11.4297 -11.4297 -11.3537 -11.3537 -10.4357 -10.4357 -10.2973 -10.2973 -5.0098 -5.0098 -4.6810 -4.6810 0.5060 0.5060 0.9359 0.9359 0.9645 0.9645 2.4274 2.4274 3.0197 3.0197 4.3659 4.3659 4.5827 4.5827 4.8501 4.8501 5.1191 5.1191 5.2606 5.2606 6.9397 6.9397 7.2586 7.2586 9.3678 9.3678 10.8066 10.8066 11.0436 11.0436 11.3729 11.3729 k = 0.2872 0.2872 0.6349 ( 3214 PWs) bands (ev): -11.4345 -11.4345 -11.3563 -11.3563 -10.4374 -10.4374 -10.2945 -10.2945 -5.0003 -5.0003 -4.6569 -4.6569 0.4591 0.4591 0.9485 0.9485 0.9862 0.9862 2.4164 2.4164 3.0182 3.0182 4.3459 4.3459 4.5681 4.5681 4.8640 4.8640 5.0932 5.0932 5.2430 5.2430 6.9684 6.9684 7.3527 7.3527 9.2836 9.2836 10.8028 10.8028 11.0370 11.0370 11.3856 11.3856 k = 0.2766 0.2766 0.6349 ( 3212 PWs) bands (ev): -11.4393 -11.4393 -11.3597 -11.3597 -10.4377 -10.4377 -10.2917 -10.2917 -4.9906 -4.9906 -4.6353 -4.6353 0.4194 0.4194 0.9630 0.9630 1.0083 1.0083 2.4036 2.4036 3.0167 3.0167 4.3287 4.3287 4.5538 4.5538 4.8670 4.8670 5.0668 5.0668 5.2244 5.2244 6.9961 6.9961 7.4462 7.4462 9.2076 9.2076 10.7991 10.7991 11.0300 11.0300 11.3987 11.3987 k = 0.2660 0.2660 0.6349 ( 3200 PWs) bands (ev): -11.4442 -11.4442 -11.3640 -11.3640 -10.4365 -10.4365 -10.2889 -10.2889 -4.9805 -4.9805 -4.6166 -4.6166 0.3879 0.3879 0.9788 0.9788 1.0308 1.0308 2.3889 2.3889 3.0154 3.0154 4.3145 4.3145 4.5399 4.5399 4.8597 4.8597 5.0401 5.0401 5.2046 5.2046 7.0226 7.0226 7.5358 7.5358 9.1427 9.1427 10.7958 10.7958 11.0228 11.0228 11.4122 11.4122 k = 0.2553 0.2553 0.6349 ( 3200 PWs) bands (ev): -11.4491 -11.4491 -11.3691 -11.3691 -10.4340 -10.4340 -10.2860 -10.2860 -4.9703 -4.9703 -4.6011 -4.6011 0.3652 0.3652 0.9955 0.9955 1.0536 1.0536 2.3722 2.3722 3.0141 3.0141 4.3035 4.3035 4.5265 4.5265 4.8426 4.8426 5.0131 5.0131 5.1838 5.1838 7.0479 7.0479 7.6173 7.6173 9.0925 9.0925 10.7929 10.7929 11.0153 11.0153 11.4257 11.4257 k = 0.2447 0.2447 0.6349 ( 3198 PWs) bands (ev): -11.4540 -11.4540 -11.3750 -11.3750 -10.4300 -10.4300 -10.2831 -10.2831 -4.9598 -4.9598 -4.5890 -4.5890 0.3516 0.3516 1.0128 1.0128 1.0766 1.0766 2.3534 2.3534 3.0130 3.0130 4.2957 4.2957 4.5137 4.5137 4.8163 4.8163 4.9860 4.9860 5.1619 5.1619 7.0719 7.0719 7.6861 7.6861 9.0610 9.0610 10.7906 10.7906 11.0075 11.0075 11.4392 11.4392 k = 0.2340 0.2340 0.6349 ( 3190 PWs) bands (ev): -11.4590 -11.4590 -11.3816 -11.3816 -10.4247 -10.4247 -10.2802 -10.2802 -4.9493 -4.9493 -4.5803 -4.5803 0.3473 0.3473 1.0306 1.0306 1.0998 1.0998 2.3325 2.3325 3.0119 3.0119 4.2913 4.2913 4.5016 4.5016 4.7811 4.7811 4.9589 4.9589 5.1390 5.1390 7.0944 7.0944 7.7381 7.7381 9.0522 9.0522 10.7889 10.7889 10.9995 10.9995 11.4526 11.4526 k = 0.2234 0.2234 0.6349 ( 3198 PWs) bands (ev): -11.4638 -11.4638 -11.3889 -11.3889 -10.4181 -10.4181 -10.2773 -10.2773 -4.9386 -4.9386 -4.5751 -4.5751 0.3524 0.3524 1.0488 1.0488 1.1231 1.1231 2.3096 2.3096 3.0110 3.0110 4.2902 4.2902 4.4903 4.4903 4.7377 4.7377 4.9319 4.9319 5.1152 5.1152 7.1155 7.1155 7.7701 7.7701 9.0686 9.0686 10.7879 10.7879 10.9913 10.9913 11.4658 11.4658 k = 0.2128 0.2128 0.6349 ( 3194 PWs) bands (ev): -11.4687 -11.4687 -11.3967 -11.3967 -10.4104 -10.4104 -10.2745 -10.2745 -4.9279 -4.9279 -4.5733 -4.5733 0.3667 0.3667 1.0673 1.0673 1.1464 1.1464 2.2847 2.2847 3.0102 3.0102 4.2923 4.2923 4.4798 4.4798 4.6863 4.6863 4.9051 4.9051 5.0905 5.0905 7.1352 7.1352 7.7817 7.7817 9.1104 9.1104 10.7876 10.7876 10.9831 10.9831 11.4786 11.4786 k = 0.2021 0.2021 0.6349 ( 3190 PWs) bands (ev): -11.4734 -11.4734 -11.4050 -11.4050 -10.4016 -10.4016 -10.2717 -10.2717 -4.9173 -4.9173 -4.5749 -4.5749 0.3902 0.3902 1.0861 1.0861 1.1696 1.1696 2.2578 2.2578 3.0096 3.0096 4.2975 4.2975 4.4702 4.4702 4.6276 4.6276 4.8786 4.8786 5.0651 5.0651 7.1533 7.1533 7.7750 7.7750 9.1751 9.1751 10.7881 10.7881 10.9749 10.9749 11.4910 11.4910 k = 0.1915 0.1915 0.6349 ( 3190 PWs) bands (ev): -11.4781 -11.4781 -11.4137 -11.4137 -10.3920 -10.3920 -10.2690 -10.2690 -4.9067 -4.9067 -4.5796 -4.5796 0.4226 0.4226 1.1053 1.1053 1.1926 1.1926 2.2292 2.2292 3.0091 3.0091 4.3055 4.3055 4.4614 4.4614 4.5620 4.5620 4.8526 4.8526 5.0388 5.0388 7.1699 7.1699 7.7539 7.7539 9.2584 9.2584 10.7893 10.7893 10.9670 10.9670 11.5030 11.5030 k = 0.1809 0.1809 0.6349 ( 3186 PWs) bands (ev): -11.4826 -11.4826 -11.4226 -11.4226 -10.3815 -10.3815 -10.2663 -10.2663 -4.8962 -4.8962 -4.5872 -4.5872 0.4634 0.4634 1.1248 1.1248 1.2153 1.2153 2.1990 2.1990 3.0087 3.0087 4.3160 4.3160 4.4514 4.4514 4.4921 4.4921 4.8271 4.8271 5.0120 5.0120 7.1850 7.1850 7.7226 7.7226 9.3558 9.3558 10.7911 10.7911 10.9597 10.9597 11.5144 11.5144 k = 0.1702 0.1702 0.6349 ( 3194 PWs) bands (ev): -11.4870 -11.4870 -11.4317 -11.4317 -10.3705 -10.3705 -10.2637 -10.2637 -4.8860 -4.8860 -4.5973 -4.5973 0.5122 0.5122 1.1448 1.1448 1.2375 1.2375 2.1673 2.1673 3.0085 3.0085 4.3282 4.3282 4.4053 4.4053 4.4539 4.4539 4.8023 4.8023 4.9846 4.9846 7.1985 7.1985 7.6849 7.6849 9.4631 9.4631 10.7934 10.7934 10.9533 10.9533 11.5252 11.5252 k = 0.1596 0.1596 0.6349 ( 3194 PWs) bands (ev): -11.4912 -11.4912 -11.4408 -11.4408 -10.3591 -10.3591 -10.2612 -10.2612 -4.8759 -4.8759 -4.6096 -4.6096 0.5685 0.5685 1.1653 1.1653 1.2592 1.2592 2.1345 2.1345 3.0084 3.0084 4.3163 4.3163 4.3491 4.3491 4.4470 4.4470 4.7783 4.7783 4.9568 4.9568 7.2106 7.2106 7.6437 7.6437 9.5767 9.5767 10.7959 10.7959 10.9483 10.9483 11.5354 11.5354 k = 0.1489 0.1489 0.6349 ( 3186 PWs) bands (ev): -11.4952 -11.4952 -11.4498 -11.4498 -10.3474 -10.3474 -10.2588 -10.2588 -4.8662 -4.8662 -4.6236 -4.6236 0.6316 0.6316 1.1865 1.1865 1.2802 1.2802 2.1008 2.1008 3.0084 3.0084 4.2296 4.2296 4.3623 4.3623 4.4434 4.4434 4.7552 4.7552 4.9286 4.9286 7.2213 7.2213 7.6013 7.6013 9.6938 9.6938 10.7983 10.7983 10.9454 10.9454 11.5449 11.5449 k = 0.1383 0.1383 0.6349 ( 3180 PWs) bands (ev): -11.4991 -11.4991 -11.4586 -11.4586 -10.3356 -10.3356 -10.2565 -10.2565 -4.8569 -4.8569 -4.6390 -4.6390 0.7006 0.7006 1.2086 1.2086 1.3003 1.3003 2.0664 2.0664 3.0086 3.0086 4.1348 4.1348 4.3796 4.3796 4.4414 4.4414 4.7331 4.7331 4.9003 4.9003 7.2307 7.2307 7.5592 7.5592 9.8121 9.8121 10.8002 10.8002 10.9456 10.9456 11.5537 11.5537 k = 0.1277 0.1277 0.6349 ( 3182 PWs) bands (ev): -11.5027 -11.5027 -11.4672 -11.4672 -10.3239 -10.3239 -10.2544 -10.2544 -4.8479 -4.8479 -4.6553 -4.6553 0.7747 0.7747 1.2318 1.2318 1.3195 1.3195 2.0316 2.0316 3.0089 3.0089 4.0354 4.0354 4.3979 4.3979 4.4411 4.4411 4.7121 4.7121 4.8718 4.8718 7.2387 7.2387 7.5185 7.5185 9.9294 9.9294 10.8010 10.8010 10.9497 10.9497 11.5618 11.5618 k = 0.1170 0.1170 0.6349 ( 3178 PWs) bands (ev): -11.5061 -11.5061 -11.4754 -11.4754 -10.3125 -10.3125 -10.2523 -10.2523 -4.8395 -4.8395 -4.6722 -4.6722 0.8526 0.8526 1.2565 1.2565 1.3375 1.3375 1.9967 1.9967 3.0092 3.0092 3.9326 3.9326 4.4167 4.4167 4.4424 4.4424 4.6924 4.6924 4.8433 4.8433 7.2456 7.2456 7.4801 7.4801 10.0438 10.0438 10.8004 10.8004 10.9591 10.9591 11.5691 11.5691 k = 0.1064 0.1064 0.6349 ( 3182 PWs) bands (ev): -11.5093 -11.5093 -11.4831 -11.4831 -10.3014 -10.3014 -10.2505 -10.2505 -4.8315 -4.8315 -4.6891 -4.6891 0.9328 0.9328 1.2835 1.2835 1.3542 1.3542 1.9620 1.9620 3.0097 3.0097 3.8271 3.8271 4.4355 4.4355 4.4453 4.4453 4.6740 4.6740 4.8150 4.8150 7.2513 7.2513 7.4443 7.4443 10.1533 10.1533 10.7981 10.7981 10.9750 10.9750 11.5755 11.5755 k = 0.0957 0.0957 0.6349 ( 3176 PWs) bands (ev): -11.5122 -11.5122 -11.4903 -11.4903 -10.2909 -10.2909 -10.2487 -10.2487 -4.8242 -4.8242 -4.7057 -4.7057 1.0133 1.0133 1.3137 1.3137 1.3696 1.3696 1.9279 1.9279 3.0102 3.0102 3.7201 3.7201 4.4497 4.4497 4.4539 4.4539 4.6570 4.6570 4.7870 4.7870 7.2561 7.2561 7.4116 7.4116 10.2557 10.2557 10.7942 10.7942 10.9987 10.9987 11.5810 11.5810 k = 0.0851 0.0851 0.6349 ( 3168 PWs) bands (ev): -11.5148 -11.5148 -11.4970 -11.4970 -10.2811 -10.2811 -10.2472 -10.2472 -4.8174 -4.8174 -4.7216 -4.7216 1.0908 1.0908 1.3488 1.3488 1.3835 1.3835 1.8946 1.8946 3.0107 3.0107 3.6127 3.6127 4.4559 4.4559 4.4715 4.4715 4.6416 4.6416 4.7593 4.7593 7.2600 7.2600 7.3823 7.3823 10.3487 10.3487 10.7888 10.7888 11.0315 11.0315 11.5852 11.5852 k = 0.0745 0.0745 0.6349 ( 3168 PWs) bands (ev): -11.5171 -11.5171 -11.5030 -11.5030 -10.2721 -10.2721 -10.2458 -10.2458 -4.8114 -4.8114 -4.7365 -4.7365 1.1615 1.1615 1.3878 1.3878 1.3994 1.3994 1.8626 1.8626 3.0113 3.0113 3.5064 3.5064 4.4636 4.4636 4.4880 4.4880 4.6277 4.6277 4.7322 4.7322 7.2631 7.2631 7.3562 7.3562 10.4303 10.4303 10.7822 10.7822 11.0742 11.0742 11.5879 11.5879 k = 0.0638 0.0638 0.6349 ( 3164 PWs) bands (ev): -11.5192 -11.5192 -11.5083 -11.5083 -10.2640 -10.2640 -10.2445 -10.2445 -4.8061 -4.8061 -4.7501 -4.7501 1.2215 1.2215 1.4030 1.4030 1.4466 1.4466 1.8324 1.8324 3.0118 3.0118 3.4029 3.4029 4.4730 4.4730 4.5029 4.5029 4.6155 4.6155 4.7058 4.7058 7.2656 7.2656 7.3337 7.3337 10.4993 10.4993 10.7746 10.7746 11.1270 11.1270 11.5887 11.5887 k = 0.0532 0.0532 0.6349 ( 3172 PWs) bands (ev): -11.5209 -11.5209 -11.5128 -11.5128 -10.2570 -10.2570 -10.2435 -10.2435 -4.8015 -4.8015 -4.7620 -4.7620 1.2694 1.2694 1.4106 1.4106 1.5074 1.5074 1.8047 1.8047 3.0123 3.0123 3.3046 3.3046 4.4840 4.4840 4.5161 4.5161 4.6051 4.6051 4.6802 4.6802 7.2674 7.2674 7.3147 7.3147 10.5556 10.5556 10.7661 10.7661 11.1888 11.1888 11.5867 11.5868 k = 0.0426 0.0426 0.6349 ( 3168 PWs) bands (ev): -11.5224 -11.5224 -11.5166 -11.5166 -10.2512 -10.2512 -10.2426 -10.2426 -4.7977 -4.7977 -4.7722 -4.7722 1.3072 1.3072 1.4151 1.4151 1.5720 1.5720 1.7800 1.7800 3.0127 3.0127 3.2144 3.2144 4.4965 4.4965 4.5273 4.5273 4.5965 4.5965 4.6556 4.6556 7.2688 7.2688 7.2991 7.2991 10.6005 10.6005 10.7566 10.7566 11.2568 11.2568 11.5814 11.5814 k = 0.0319 0.0319 0.6349 ( 3166 PWs) bands (ev): -11.5234 -11.5234 -11.5197 -11.5197 -10.2465 -10.2465 -10.2419 -10.2419 -4.7947 -4.7947 -4.7802 -4.7802 1.3373 1.3373 1.4163 1.4163 1.6331 1.6331 1.7592 1.7592 3.0131 3.0131 3.1361 3.1361 4.5103 4.5103 4.5363 4.5363 4.5897 4.5897 4.6322 4.6322 7.2698 7.2698 7.2871 7.2871 10.6359 10.6359 10.7461 10.7461 11.3270 11.3270 11.5718 11.5718 k = 0.0213 0.0213 0.6349 ( 3170 PWs) bands (ev): -11.5242 -11.5242 -11.5219 -11.5219 -10.2432 -10.2432 -10.2414 -10.2414 -4.7926 -4.7926 -4.7861 -4.7861 1.3619 1.3619 1.4140 1.4140 1.6837 1.6837 1.7434 1.7434 3.0135 3.0135 3.0744 3.0744 4.5253 4.5253 4.5428 4.5428 4.5849 4.5849 4.6104 4.6104 7.2705 7.2705 7.2784 7.2784 10.6640 10.6640 10.7343 10.7343 11.3942 11.3942 11.5566 11.5566 k = 0.0106 0.0106 0.6349 ( 3184 PWs) bands (ev): -11.5245 -11.5245 -11.5233 -11.5233 -10.2413 -10.2413 -10.2410 -10.2410 -4.7913 -4.7913 -4.7897 -4.7897 1.3816 1.3816 1.4075 1.4075 1.7173 1.7173 1.7335 1.7335 3.0141 3.0141 3.0342 3.0342 4.5401 4.5401 4.5467 4.5467 4.5820 4.5820 4.5915 4.5915 7.2709 7.2709 7.2733 7.2733 10.6867 10.6867 10.7209 10.7209 11.4532 11.4532 11.5336 11.5336 k = 0.0000 0.0000 0.6349 ( 3184 PWs) bands (ev): -11.5245 -11.5245 -11.5239 -11.5239 -10.2411 -10.2411 -10.2404 -10.2404 -4.7909 -4.7909 -4.7909 -4.7909 1.3966 1.3966 1.3970 1.3970 1.7294 1.7294 1.7298 1.7298 3.0171 3.0171 3.0175 3.0175 4.5480 4.5480 4.5486 4.5486 4.5810 4.5810 4.5816 4.5816 7.2711 7.2711 7.2715 7.2715 10.7051 10.7051 10.7054 10.7054 11.5000 11.5000 11.5000 11.5000 k = 0.0000 0.5000-0.0000 ( 3216 PWs) bands (ev): -12.0092 -12.0092 -12.0088 -12.0088 -10.2957 -10.2957 -10.2952 -10.2952 -2.8430 -2.8430 -2.8429 -2.8429 1.0868 1.0868 1.0871 1.0871 1.4655 1.4655 1.4656 1.4656 3.9867 3.9867 3.9872 3.9872 4.0189 4.0189 4.0190 4.0190 5.1299 5.1299 5.1299 5.1299 6.2387 6.2387 6.2391 6.2391 7.7361 7.7361 7.7361 7.7361 11.2643 11.2643 11.2644 11.2644 k = 0.0000 0.5000 0.0151 ( 3222 PWs) bands (ev): -12.0086 -12.0086 -12.0081 -12.0081 -10.2958 -10.2958 -10.2951 -10.2951 -2.8465 -2.8465 -2.8453 -2.8453 1.0304 1.0304 1.1080 1.1080 1.4515 1.4515 1.5233 1.5233 3.9368 3.9368 3.9498 3.9498 4.0525 4.0525 4.0625 4.0625 5.1297 5.1297 5.1313 5.1313 6.2398 6.2398 6.2420 6.2420 7.7388 7.7388 7.7425 7.7425 11.2501 11.2501 11.2743 11.2743 k = 0.0000 0.5000 0.0302 ( 3218 PWs) bands (ev): -12.0067 -12.0067 -12.0060 -12.0060 -10.2961 -10.2961 -10.2949 -10.2949 -2.8559 -2.8559 -2.8536 -2.8536 0.9590 0.9590 1.0830 1.0830 1.4916 1.4916 1.6038 1.6038 3.8743 3.8743 3.8895 3.8895 4.0991 4.0991 4.1082 4.1082 5.1306 5.1306 5.1339 5.1339 6.2446 6.2446 6.2488 6.2488 7.7506 7.7506 7.7580 7.7580 11.2319 11.2319 11.2799 11.2799 k = 0.0000 0.5000 0.0454 ( 3206 PWs) bands (ev): -12.0035 -12.0035 -12.0025 -12.0025 -10.2963 -10.2963 -10.2946 -10.2946 -2.8710 -2.8710 -2.8677 -2.8677 0.8839 0.8839 1.0300 1.0300 1.5676 1.5676 1.6958 1.6958 3.8068 3.8068 3.8244 3.8244 4.1410 4.1410 4.1491 4.1491 5.1326 5.1326 5.1374 5.1374 6.2531 6.2531 6.2593 6.2593 7.7715 7.7715 7.7826 7.7826 11.2096 11.2096 11.2811 11.2811 k = 0.0000 0.5000 0.0605 ( 3202 PWs) bands (ev): -11.9989 -11.9989 -11.9976 -11.9976 -10.2967 -10.2967 -10.2944 -10.2944 -2.8919 -2.8919 -2.8875 -2.8875 0.8096 0.8096 0.9670 0.9670 1.6614 1.6614 1.7946 1.7946 3.7353 3.7353 3.7557 3.7557 4.1777 4.1777 4.1849 4.1849 5.1353 5.1353 5.1416 5.1416 6.2652 6.2652 6.2732 6.2732 7.8012 7.8012 7.8160 7.8160 11.1835 11.1835 11.2778 11.2778 k = 0.0000 0.5000 0.0756 ( 3204 PWs) bands (ev): -11.9930 -11.9930 -11.9914 -11.9914 -10.2970 -10.2970 -10.2943 -10.2943 -2.9181 -2.9181 -2.9130 -2.9130 0.7381 0.7381 0.9022 0.9022 1.7643 1.7643 1.8974 1.8974 3.6607 3.6607 3.6845 3.6845 4.2091 4.2091 4.2156 4.2156 5.1387 5.1387 5.1462 5.1462 6.2806 6.2806 6.2901 6.2901 7.8397 7.8397 7.8582 7.8582 11.1538 11.1538 11.2700 11.2700 k = 0.0000 0.5000 0.0907 ( 3204 PWs) bands (ev): -11.9858 -11.9858 -11.9839 -11.9839 -10.2974 -10.2974 -10.2942 -10.2942 -2.9497 -2.9497 -2.9438 -2.9438 0.6704 0.6704 0.8390 0.8390 1.8725 1.8725 2.0026 2.0026 3.5838 3.5838 3.6117 3.6117 4.2356 4.2356 4.2414 4.2414 5.1423 5.1423 5.1510 5.1510 6.2990 6.2990 6.3097 6.3097 7.8868 7.8868 7.9090 7.9090 11.1204 11.1204 11.2576 11.2576 k = 0.0000 0.5000 0.1058 ( 3204 PWs) bands (ev): -11.9774 -11.9774 -11.9751 -11.9751 -10.2979 -10.2979 -10.2942 -10.2942 -2.9862 -2.9862 -2.9797 -2.9797 0.6071 0.6071 0.7790 0.7790 1.9835 1.9835 2.1085 2.1085 3.5056 3.5056 3.5387 3.5387 4.2575 4.2575 4.2626 4.2626 5.1460 5.1460 5.1557 5.1557 6.3200 6.3200 6.3316 6.3316 7.9420 7.9420 7.9679 7.9679 11.0837 11.0837 11.2406 11.2406 k = 0.0000 0.5000 0.1209 ( 3202 PWs) bands (ev): -11.9676 -11.9676 -11.9650 -11.9650 -10.2984 -10.2984 -10.2942 -10.2942 -3.0273 -3.0273 -3.0205 -3.0205 0.5485 0.5485 0.7229 0.7229 2.0957 2.0957 2.2134 2.2134 3.4272 3.4272 3.4672 3.4672 4.2752 4.2752 4.2797 4.2797 5.1495 5.1495 5.1600 5.1600 6.3434 6.3434 6.3554 6.3554 8.0050 8.0050 8.0346 8.0346 11.0438 11.0438 11.2192 11.2192 k = 0.0000 0.5000 0.1361 ( 3210 PWs) bands (ev): -11.9567 -11.9567 -11.9537 -11.9537 -10.2991 -10.2991 -10.2944 -10.2944 -3.0728 -3.0728 -3.0657 -3.0657 0.4947 0.4947 0.6710 0.6710 2.2072 2.2072 2.3148 2.3148 3.3504 3.3504 3.3995 3.3995 4.2889 4.2889 4.2929 4.2929 5.1528 5.1528 5.1639 5.1639 6.3688 6.3688 6.3810 6.3810 8.0754 8.0754 8.1087 8.1087 11.0008 11.0008 11.1932 11.1932 k = 0.0000 0.5000 0.1512 ( 3202 PWs) bands (ev): -11.9445 -11.9445 -11.9412 -11.9412 -10.2998 -10.2998 -10.2948 -10.2948 -3.1223 -3.1223 -3.1151 -3.1151 0.4456 0.4456 0.6236 0.6236 2.3154 2.3154 2.4091 2.4091 3.2775 3.2775 3.3393 3.3393 4.2991 4.2991 4.3026 4.3026 5.1556 5.1556 5.1672 5.1672 6.3960 6.3960 6.4079 6.4079 8.1525 8.1525 8.1897 8.1897 10.9550 10.9550 11.1630 11.1630 k = 0.0000 0.5000 0.1663 ( 3212 PWs) bands (ev): -11.9311 -11.9311 -11.9274 -11.9274 -10.3008 -10.3008 -10.2953 -10.2953 -3.1753 -3.1753 -3.1681 -3.1681 0.4011 0.4011 0.5806 0.5806 2.4161 2.4161 2.4909 2.4909 3.2126 3.2126 3.2919 3.2919 4.3061 4.3061 4.3091 4.3091 5.1579 5.1579 5.1699 5.1699 6.4248 6.4248 6.4361 6.4361 8.2358 8.2358 8.2770 8.2770 10.9065 10.9065 11.1285 11.1285 k = 0.0000 0.5000 0.1814 ( 3208 PWs) bands (ev): -11.9166 -11.9166 -11.9126 -11.9126 -10.3018 -10.3018 -10.2960 -10.2960 -3.2314 -3.2314 -3.2244 -3.2244 0.3611 0.3611 0.5420 0.5420 2.5024 2.5024 2.5523 2.5523 3.1628 3.1628 3.2652 3.2652 4.3102 4.3102 4.3127 4.3127 5.1598 5.1598 5.1720 5.1720 6.4551 6.4551 6.4655 6.4655 8.3245 8.3245 8.3700 8.3700 10.8556 10.8556 11.0899 11.0899 k = 0.0000 0.5000 0.1965 ( 3200 PWs) bands (ev): -11.9010 -11.9010 -11.8965 -11.8965 -10.3031 -10.3031 -10.2970 -10.2970 -3.2903 -3.2903 -3.2835 -3.2835 0.3255 0.3255 0.5076 0.5076 2.5628 2.5628 2.5850 2.5850 3.1393 3.1393 3.2675 3.2675 4.3116 4.3116 4.3137 4.3137 5.1612 5.1612 5.1735 5.1735 6.4869 6.4869 6.4959 6.4959 8.4181 8.4181 8.4681 8.4681 10.8025 10.8025 11.0476 11.0476 k = 0.0000 0.5000 0.2116 ( 3200 PWs) bands (ev): -11.8843 -11.8843 -11.8795 -11.8795 -10.3047 -10.3047 -10.2982 -10.2982 -3.3514 -3.3514 -3.3450 -3.3450 0.2939 0.2939 0.4771 0.4771 2.5853 2.5853 2.5856 2.5856 3.1540 3.1540 3.3024 3.3024 4.3105 4.3105 4.3122 4.3122 5.1622 5.1622 5.1746 5.1746 6.5201 6.5201 6.5274 6.5274 8.5156 8.5156 8.5706 8.5706 10.7475 10.7475 11.0016 11.0016 k = 0.0000 0.5000 0.2268 ( 3204 PWs) bands (ev): -11.8667 -11.8667 -11.8614 -11.8614 -10.3065 -10.3065 -10.2998 -10.2998 -3.4144 -3.4144 -3.4085 -3.4085 0.2662 0.2662 0.4505 0.4505 2.5582 2.5582 2.5697 2.5697 3.2076 3.2076 3.3649 3.3649 4.3072 4.3072 4.3085 4.3085 5.1629 5.1629 5.1752 5.1752 6.5548 6.5548 6.5600 6.5600 8.6164 8.6164 8.6768 8.6768 10.6908 10.6908 10.9522 10.9522 k = 0.0000 0.5000 0.2419 ( 3194 PWs) bands (ev): -11.8481 -11.8481 -11.8423 -11.8423 -10.3086 -10.3086 -10.3016 -10.3016 -3.4788 -3.4788 -3.4734 -3.4734 0.2420 0.2420 0.4274 0.4274 2.5121 2.5121 2.5264 2.5264 3.2888 3.2888 3.4463 3.4463 4.3018 4.3018 4.3027 4.3027 5.1633 5.1633 5.1755 5.1755 6.5911 6.5911 6.5938 6.5938 8.7195 8.7195 8.7862 8.7862 10.6328 10.6328 10.8997 10.8997 k = 0.0000 0.5000 0.2570 ( 3194 PWs) bands (ev): -11.8286 -11.8286 -11.8224 -11.8224 -10.3110 -10.3110 -10.3039 -10.3039 -3.5442 -3.5442 -3.5393 -3.5393 0.2211 0.2211 0.4077 0.4077 2.4548 2.4548 2.4678 2.4678 3.3855 3.3855 3.5389 3.5389 4.2946 4.2946 4.2951 4.2951 5.1635 5.1635 5.1756 5.1756 6.6287 6.6287 6.6291 6.6291 8.8240 8.8240 8.8980 8.8980 10.5741 10.5741 10.8444 10.8444 k = 0.0000 0.5000 0.2721 ( 3194 PWs) bands (ev): -11.8083 -11.8083 -11.8016 -11.8016 -10.3137 -10.3137 -10.3065 -10.3065 -3.6102 -3.6102 -3.6058 -3.6058 0.2031 0.2031 0.3910 0.3910 2.3913 2.3913 2.4016 2.4016 3.4899 3.4899 3.6374 3.6374 4.2855 4.2855 4.2858 4.2858 5.1636 5.1636 5.1755 5.1755 6.6653 6.6653 6.6686 6.6686 8.9289 8.9289 9.0116 9.0116 10.5150 10.5150 10.7865 10.7865 k = 0.0000 0.5000 0.2872 ( 3180 PWs) bands (ev): -11.7873 -11.7873 -11.7801 -11.7801 -10.3169 -10.3169 -10.3096 -10.3096 -3.6764 -3.6764 -3.6726 -3.6726 0.1879 0.1879 0.3770 0.3770 2.3247 2.3247 2.3318 2.3318 3.5976 3.5976 3.7386 3.7386 4.2748 4.2748 4.2751 4.2751 5.1637 5.1637 5.1754 5.1754 6.7034 6.7034 6.7101 6.7101 9.0330 9.0330 9.1263 9.1263 10.4565 10.4565 10.7265 10.7265 k = 0.0000 0.5000 0.3023 ( 3184 PWs) bands (ev): -11.7656 -11.7656 -11.7578 -11.7578 -10.3204 -10.3204 -10.3130 -10.3130 -3.7424 -3.7424 -3.7391 -3.7391 0.1751 0.1751 0.3656 0.3656 2.2571 2.2571 2.2609 2.2609 3.7060 3.7060 3.8401 3.8401 4.2626 4.2626 4.2631 4.2631 5.1637 5.1637 5.1752 5.1752 6.7431 6.7431 6.7535 6.7535 9.1348 9.1348 9.2415 9.2415 10.3995 10.3995 10.6646 10.6646 k = 0.0000 0.5000 0.3175 ( 3184 PWs) bands (ev): -11.7433 -11.7433 -11.7350 -11.7350 -10.3243 -10.3243 -10.3170 -10.3170 -3.8078 -3.8078 -3.8050 -3.8050 0.1644 0.1644 0.3565 0.3565 2.1896 2.1896 2.1904 2.1904 3.8137 3.8137 3.9407 3.9407 4.2491 4.2491 4.2499 4.2499 5.1638 5.1638 5.1750 5.1750 6.7846 6.7846 6.7989 6.7989 9.2322 9.2322 9.3563 9.3563 10.3456 10.3456 10.6012 10.6012 k = 0.0000 0.5000 0.3326 ( 3188 PWs) bands (ev): -11.7205 -11.7205 -11.7116 -11.7116 -10.3287 -10.3287 -10.3214 -10.3214 -3.8723 -3.8723 -3.8700 -3.8700 0.1556 0.1556 0.3493 0.3493 2.1210 2.1210 2.1233 2.1233 3.9193 3.9193 4.0392 4.0392 4.2346 4.2346 4.2356 4.2356 5.1639 5.1639 5.1749 5.1749 6.8280 6.8280 6.8465 6.8465 9.3226 9.3226 9.4699 9.4699 10.2971 10.2971 10.5370 10.5370 k = 0.0000 0.5000 0.3477 ( 3188 PWs) bands (ev): -11.6973 -11.6973 -11.6878 -11.6878 -10.3335 -10.3335 -10.3263 -10.3263 -3.9355 -3.9355 -3.9338 -3.9338 0.1485 0.1485 0.3439 0.3439 2.0535 2.0535 2.0588 2.0588 4.0220 4.0220 4.1347 4.1347 4.2193 4.2193 4.2204 4.2204 5.1642 5.1642 5.1749 5.1749 6.8736 6.8736 6.8963 6.8963 9.4021 9.4021 9.5813 9.5813 10.2575 10.2575 10.4726 10.4726 k = 0.0000 0.5000 0.3628 ( 3192 PWs) bands (ev): -11.6739 -11.6739 -11.6638 -11.6638 -10.3387 -10.3387 -10.3317 -10.3317 -3.9972 -3.9972 -3.9960 -3.9960 0.1428 0.1428 0.3400 0.3400 1.9883 1.9883 1.9964 1.9964 4.1204 4.1204 4.2039 4.2039 4.2044 4.2044 4.2272 4.2272 5.1645 5.1645 5.1749 5.1749 6.9212 6.9212 6.9483 6.9483 9.4655 9.4655 9.6890 9.6890 10.2316 10.2316 10.4094 10.4094 k = 0.0000 0.5000 0.3779 ( 3196 PWs) bands (ev): -11.6503 -11.6503 -11.6395 -11.6395 -10.3443 -10.3443 -10.3376 -10.3376 -4.0572 -4.0572 -4.0563 -4.0563 0.1383 0.1383 0.3374 0.3374 1.9257 1.9257 1.9366 1.9366 4.1804 4.1804 4.1876 4.1876 4.2232 4.2232 4.3151 4.3151 5.1649 5.1649 5.1751 5.1751 6.9711 6.9711 7.0025 7.0025 9.5072 9.5072 9.7901 9.7901 10.2246 10.2246 10.3497 10.3497 k = 0.0000 0.5000 0.3930 ( 3196 PWs) bands (ev): -11.6266 -11.6266 -11.6152 -11.6152 -10.3504 -10.3504 -10.3439 -10.3439 -4.1150 -4.1150 -4.1145 -4.1145 0.1348 0.1348 0.3359 0.3359 1.8662 1.8662 1.8797 1.8797 4.1667 4.1667 4.1706 4.1706 4.3112 4.3112 4.3988 4.3988 5.1654 5.1654 5.1754 5.1754 7.0233 7.0233 7.0587 7.0587 9.5231 9.5231 9.8792 9.8792 10.2401 10.2401 10.2988 10.2988 k = 0.0000 0.5000 0.4082 ( 3196 PWs) bands (ev): -11.6031 -11.6031 -11.5910 -11.5910 -10.3567 -10.3567 -10.3506 -10.3506 -4.1705 -4.1705 -4.1703 -4.1703 0.1320 0.1320 0.3352 0.3352 1.8098 1.8098 1.8259 1.8259 4.1497 4.1497 4.1534 4.1534 4.3975 4.3975 4.4778 4.4778 5.1660 5.1660 5.1757 5.1757 7.0777 7.0777 7.1169 7.1169 9.5138 9.5138 9.9434 9.9434 10.2693 10.2693 10.2773 10.2773 k = 0.0000 0.5000 0.4233 ( 3200 PWs) bands (ev): -11.5798 -11.5798 -11.5669 -11.5669 -10.3635 -10.3635 -10.3577 -10.3577 -4.2236 -4.2236 -4.2234 -4.2234 0.1299 0.1299 0.3352 0.3352 1.7567 1.7567 1.7754 1.7754 4.1324 4.1324 4.1362 4.1362 4.4791 4.4791 4.5519 4.5519 5.1666 5.1666 5.1760 5.1760 7.1343 7.1343 7.1768 7.1768 9.4839 9.4839 9.9632 9.9632 10.2804 10.2804 10.3312 10.3312 k = 0.0000 0.5000 0.4384 ( 3216 PWs) bands (ev): -11.5569 -11.5569 -11.5433 -11.5433 -10.3704 -10.3704 -10.3651 -10.3651 -4.2740 -4.2740 -4.2735 -4.2735 0.1283 0.1283 0.3357 0.3357 1.7071 1.7071 1.7282 1.7282 4.1152 4.1152 4.1191 4.1191 4.5556 4.5556 4.6210 4.6210 5.1672 5.1672 5.1763 5.1763 7.1930 7.1930 7.2381 7.2381 9.4392 9.4392 9.9383 9.9383 10.3323 10.3323 10.3957 10.3957 k = 0.0000 0.5000 0.4535 ( 3216 PWs) bands (ev): -11.5345 -11.5345 -11.5202 -11.5202 -10.3776 -10.3776 -10.3727 -10.3727 -4.3214 -4.3214 -4.3207 -4.3207 0.1271 0.1271 0.3365 0.3365 1.6612 1.6612 1.6845 1.6845 4.0983 4.0983 4.1024 4.1024 4.6268 4.6268 4.6848 4.6848 5.1677 5.1677 5.1766 5.1766 7.2536 7.2536 7.3005 7.3005 9.3845 9.3845 9.8893 9.8893 10.4042 10.4042 10.4656 10.4656 k = 0.0000 0.5000 0.4686 ( 3212 PWs) bands (ev): -11.5129 -11.5129 -11.4979 -11.4979 -10.3849 -10.3849 -10.3805 -10.3805 -4.3656 -4.3656 -4.3647 -4.3647 0.1261 0.1261 0.3376 0.3376 1.6189 1.6189 1.6445 1.6445 4.0820 4.0820 4.0863 4.0863 4.6924 4.6924 4.7435 4.7435 5.1681 5.1681 5.1768 5.1768 7.3159 7.3159 7.3634 7.3634 9.3235 9.3235 9.8305 9.8305 10.4817 10.4817 10.5370 10.5370 k = 0.0000 0.5000 0.4837 ( 3216 PWs) bands (ev): -11.4922 -11.4922 -11.4765 -11.4765 -10.3922 -10.3922 -10.3883 -10.3883 -4.4065 -4.4065 -4.4054 -4.4054 0.1254 0.1254 0.3387 0.3387 1.5804 1.5804 1.6080 1.6080 4.0663 4.0663 4.0708 4.0708 4.7526 4.7526 4.7970 4.7970 5.1684 5.1684 5.1769 5.1769 7.3794 7.3794 7.4264 7.4264 9.2586 9.2586 9.7682 9.7682 10.5584 10.5584 10.6075 10.6075 k = 0.0000 0.5000 0.4989 ( 3208 PWs) bands (ev): -11.4726 -11.4726 -11.4561 -11.4561 -10.3994 -10.3994 -10.3961 -10.3961 -4.4439 -4.4439 -4.4427 -4.4427 0.1247 0.1247 0.3399 0.3399 1.5456 1.5456 1.5751 1.5751 4.0516 4.0516 4.0562 4.0562 4.8071 4.8071 4.8453 4.8453 5.1684 5.1684 5.1767 5.1767 7.4437 7.4437 7.4886 7.4886 9.1915 9.1915 9.7052 9.7052 10.6316 10.6316 10.6751 10.6751 k = 0.0000 0.5000 0.5140 ( 3208 PWs) bands (ev): -11.4544 -11.4544 -11.4372 -11.4372 -10.4063 -10.4063 -10.4036 -10.4036 -4.4777 -4.4777 -4.4764 -4.4764 0.1241 0.1241 0.3410 0.3410 1.5146 1.5146 1.5459 1.5459 4.0379 4.0379 4.0427 4.0427 4.8561 4.8561 4.8886 4.8886 5.1682 5.1682 5.1763 5.1763 7.5082 7.5082 7.5493 7.5493 9.1236 9.1236 9.6434 9.6434 10.6996 10.6996 10.7383 10.7383 k = 0.0000 0.5000 0.5291 ( 3204 PWs) bands (ev): -11.4376 -11.4376 -11.4198 -11.4198 -10.4130 -10.4130 -10.4107 -10.4107 -4.5078 -4.5078 -4.5064 -4.5064 0.1235 0.1235 0.3420 0.3420 1.4875 1.4875 1.5203 1.5203 4.0254 4.0254 4.0304 4.0304 4.8996 4.8996 4.9270 4.9270 5.1677 5.1677 5.1756 5.1756 7.5720 7.5720 7.6076 7.6076 9.0564 9.0564 9.5841 9.5841 10.7615 10.7615 10.7963 10.7963 k = 0.0000 0.5000 0.5442 ( 3212 PWs) bands (ev): -11.4226 -11.4226 -11.4041 -11.4041 -10.4191 -10.4191 -10.4173 -10.4173 -4.5340 -4.5340 -4.5326 -4.5326 0.1230 0.1230 0.3429 0.3429 1.4640 1.4640 1.4982 1.4982 4.0143 4.0143 4.0194 4.0194 4.9376 4.9376 4.9604 4.9604 5.1668 5.1668 5.1745 5.1745 7.6341 7.6341 7.6623 7.6623 8.9911 8.9911 9.5285 9.5285 10.8164 10.8164 10.8481 10.8481 k = 0.0000 0.5000 0.5593 ( 3196 PWs) bands (ev): -11.4095 -11.4095 -11.3904 -11.3904 -10.4246 -10.4246 -10.4232 -10.4232 -4.5564 -4.5564 -4.5549 -4.5549 0.1226 0.1226 0.3436 0.3436 1.4443 1.4443 1.4796 1.4796 4.0046 4.0046 4.0099 4.0099 4.9702 4.9702 4.9891 4.9891 5.1655 5.1655 5.1732 5.1732 7.6932 7.6932 7.7122 7.7122 8.9293 8.9293 9.4780 9.4780 10.8638 10.8638 10.8930 10.8930 k = 0.0000 0.5000 0.5745 ( 3200 PWs) bands (ev): -11.3985 -11.3985 -11.3789 -11.3789 -10.4293 -10.4293 -10.4283 -10.4283 -4.5748 -4.5748 -4.5732 -4.5732 0.1222 0.1222 0.3442 0.3442 1.4283 1.4283 1.4645 1.4645 3.9966 3.9966 4.0020 4.0020 4.9974 4.9974 5.0130 5.0130 5.1639 5.1639 5.1715 5.1715 7.7473 7.7473 7.7560 7.7560 8.8728 8.8728 9.4338 9.4338 10.9032 10.9032 10.9305 10.9305 k = 0.0000 0.5000 0.5896 ( 3202 PWs) bands (ev): -11.3897 -11.3897 -11.3698 -11.3698 -10.4332 -10.4332 -10.4324 -10.4324 -4.5891 -4.5891 -4.5875 -4.5875 0.1218 0.1218 0.3447 0.3447 1.4158 1.4158 1.4529 1.4529 3.9902 3.9902 3.9957 3.9957 5.0190 5.0190 5.0320 5.0320 5.1620 5.1620 5.1697 5.1697 7.7920 7.7920 7.7942 7.7942 8.8241 8.8241 9.3975 9.3975 10.9342 10.9342 10.9601 10.9601 k = 0.0000 0.5000 0.6047 ( 3206 PWs) bands (ev): -11.3834 -11.3834 -11.3631 -11.3631 -10.4361 -10.4361 -10.4354 -10.4354 -4.5994 -4.5994 -4.5978 -4.5978 0.1216 0.1216 0.3450 0.3450 1.4070 1.4070 1.4445 1.4445 3.9856 3.9856 3.9912 3.9912 5.0350 5.0350 5.0460 5.0460 5.1602 5.1602 5.1679 5.1679 7.8191 7.8191 7.8310 7.8310 8.7860 8.7860 9.3703 9.3703 10.9566 10.9566 10.9814 10.9814 k = 0.0000 0.5000 0.6198 ( 3212 PWs) bands (ev): -11.3795 -11.3795 -11.3591 -11.3591 -10.4378 -10.4378 -10.4372 -10.4372 -4.6056 -4.6056 -4.6040 -4.6040 0.1214 0.1214 0.3451 0.3451 1.4017 1.4017 1.4396 1.4396 3.9829 3.9829 3.9884 3.9884 5.0448 5.0448 5.0546 5.0546 5.1588 5.1588 5.1667 5.1667 7.8359 7.8359 7.8547 7.8547 8.7615 8.7615 9.3535 9.3535 10.9701 10.9701 10.9944 10.9944 k = 0.0000 0.5000 0.6349 ( 3212 PWs) bands (ev): -11.3782 -11.3782 -11.3577 -11.3577 -10.4384 -10.4384 -10.4378 -10.4378 -4.6077 -4.6077 -4.6060 -4.6060 0.1213 0.1213 0.3452 0.3452 1.4000 1.4000 1.4379 1.4379 3.9819 3.9819 3.9875 3.9875 5.0482 5.0482 5.0576 5.0576 5.1583 5.1583 5.1662 5.1662 7.8416 7.8416 7.8630 7.8630 8.7530 8.7530 9.3477 9.3477 10.9746 10.9746 10.9987 10.9987 k = 0.5000 0.5000-0.0000 ( 3140 PWs) bands (ev): -11.8308 -11.8308 -11.8303 -11.8303 -10.5437 -10.5437 -10.5430 -10.5430 -2.8842 -2.8842 -2.8841 -2.8841 1.2157 1.2157 1.2162 1.2162 2.0930 2.0930 2.0930 2.0930 3.7658 3.7658 3.7664 3.7664 3.8773 3.8773 3.8774 3.8774 4.8770 4.8770 4.8775 4.8775 5.3261 5.3261 5.3267 5.3267 8.3554 8.3554 8.3555 8.3555 11.9693 11.9693 11.9695 11.9695 k = 0.5000 0.5000 0.0151 ( 3140 PWs) bands (ev): -11.8303 -11.8303 -11.8297 -11.8297 -10.5434 -10.5434 -10.5427 -10.5427 -2.8885 -2.8885 -2.8885 -2.8885 1.2190 1.2190 1.2194 1.2194 2.0931 2.0931 2.0931 2.0931 3.7158 3.7158 3.7163 3.7163 3.9257 3.9257 3.9259 3.9259 4.8792 4.8792 4.8797 4.8797 5.3262 5.3262 5.3268 5.3268 8.3585 8.3585 8.3586 8.3586 11.9680 11.9680 11.9681 11.9681 k = 0.5000 0.5000 0.0302 ( 3132 PWs) bands (ev): -11.8286 -11.8286 -11.8281 -11.8281 -10.5425 -10.5425 -10.5419 -10.5419 -2.9016 -2.9016 -2.9015 -2.9015 1.2286 1.2286 1.2290 1.2290 2.0933 2.0933 2.0933 2.0933 3.6326 3.6326 3.6330 3.6330 4.0044 4.0044 4.0046 4.0046 4.8858 4.8858 4.8862 4.8862 5.3265 5.3265 5.3272 5.3272 8.3677 8.3677 8.3678 8.3678 11.9639 11.9639 11.9641 11.9641 k = 0.5000 0.5000 0.0454 ( 3152 PWs) bands (ev): -11.8259 -11.8259 -11.8253 -11.8253 -10.5411 -10.5411 -10.5404 -10.5404 -2.9230 -2.9230 -2.9230 -2.9230 1.2444 1.2444 1.2448 1.2448 2.0935 2.0935 2.0935 2.0935 3.5441 3.5441 3.5445 3.5445 4.0853 4.0853 4.0856 4.0856 4.8967 4.8967 4.8971 4.8971 5.3270 5.3270 5.3277 5.3277 8.3831 8.3831 8.3832 8.3832 11.9571 11.9571 11.9573 11.9573 k = 0.5000 0.5000 0.0605 ( 3152 PWs) bands (ev): -11.8220 -11.8220 -11.8215 -11.8215 -10.5391 -10.5391 -10.5384 -10.5384 -2.9526 -2.9526 -2.9525 -2.9525 1.2659 1.2659 1.2663 1.2663 2.0936 2.0936 2.0936 2.0936 3.4543 3.4543 3.4547 3.4547 4.1648 4.1648 4.1650 4.1650 4.9119 4.9119 4.9124 4.9124 5.3277 5.3277 5.3284 5.3284 8.4047 8.4047 8.4048 8.4048 11.9478 11.9478 11.9480 11.9480 k = 0.5000 0.5000 0.0756 ( 3168 PWs) bands (ev): -11.8171 -11.8171 -11.8166 -11.8166 -10.5365 -10.5365 -10.5359 -10.5359 -2.9899 -2.9899 -2.9898 -2.9898 1.2929 1.2929 1.2933 1.2933 2.0933 2.0933 2.0933 2.0933 3.3647 3.3647 3.3651 3.3651 4.2416 4.2416 4.2418 4.2418 4.9314 4.9314 4.9318 4.9318 5.3286 5.3286 5.3293 5.3293 8.4323 8.4323 8.4324 8.4324 11.9359 11.9359 11.9361 11.9361 k = 0.5000 0.5000 0.0907 ( 3168 PWs) bands (ev): -11.8112 -11.8112 -11.8106 -11.8106 -10.5334 -10.5334 -10.5328 -10.5328 -3.0342 -3.0342 -3.0341 -3.0341 1.3246 1.3246 1.3250 1.3250 2.0922 2.0922 2.0922 2.0922 3.2762 3.2762 3.2766 3.2766 4.3151 4.3151 4.3153 4.3153 4.9551 4.9551 4.9556 4.9556 5.3297 5.3297 5.3304 5.3304 8.4659 8.4659 8.4660 8.4660 11.9216 11.9216 11.9218 11.9218 k = 0.5000 0.5000 0.1058 ( 3168 PWs) bands (ev): -11.8042 -11.8042 -11.8036 -11.8036 -10.5298 -10.5298 -10.5292 -10.5292 -3.0851 -3.0851 -3.0850 -3.0850 1.3605 1.3605 1.3609 1.3609 2.0899 2.0899 2.0899 2.0899 3.1898 3.1898 3.1903 3.1903 4.3850 4.3850 4.3852 4.3852 4.9829 4.9829 4.9834 4.9834 5.3310 5.3310 5.3317 5.3317 8.5054 8.5054 8.5055 8.5055 11.9050 11.9050 11.9052 11.9052 k = 0.5000 0.5000 0.1209 ( 3168 PWs) bands (ev): -11.7962 -11.7962 -11.7957 -11.7957 -10.5257 -10.5257 -10.5250 -10.5250 -3.1419 -3.1419 -3.1418 -3.1418 1.3999 1.3999 1.4003 1.4003 2.0857 2.0857 2.0858 2.0858 3.1066 3.1066 3.1070 3.1070 4.4508 4.4508 4.4510 4.4510 5.0148 5.0148 5.0152 5.0152 5.3325 5.3325 5.3331 5.3331 8.5508 8.5508 8.5509 8.5509 11.8863 11.8863 11.8865 11.8865 k = 0.5000 0.5000 0.1361 ( 3168 PWs) bands (ev): -11.7872 -11.7872 -11.7867 -11.7867 -10.5210 -10.5210 -10.5204 -10.5204 -3.2039 -3.2039 -3.2038 -3.2038 1.4421 1.4421 1.4424 1.4424 2.0790 2.0790 2.0790 2.0790 3.0276 3.0276 3.0280 3.0280 4.5124 4.5124 4.5126 4.5126 5.0506 5.0506 5.0510 5.0510 5.3342 5.3342 5.3348 5.3348 8.6018 8.6018 8.6018 8.6018 11.8656 11.8656 11.8658 11.8658 k = 0.5000 0.5000 0.1512 ( 3180 PWs) bands (ev): -11.7773 -11.7773 -11.7768 -11.7768 -10.5160 -10.5160 -10.5153 -10.5153 -3.2705 -3.2705 -3.2704 -3.2704 1.4863 1.4863 1.4867 1.4867 2.0687 2.0687 2.0687 2.0687 2.9542 2.9542 2.9546 2.9546 4.5696 4.5696 4.5698 4.5698 5.0901 5.0901 5.0905 5.0905 5.3360 5.3360 5.3366 5.3366 8.6582 8.6582 8.6582 8.6582 11.8430 11.8430 11.8432 11.8432 k = 0.5000 0.5000 0.1663 ( 3180 PWs) bands (ev): -11.7665 -11.7665 -11.7660 -11.7660 -10.5104 -10.5104 -10.5098 -10.5098 -3.3410 -3.3410 -3.3409 -3.3409 1.5319 1.5319 1.5322 1.5322 2.0539 2.0539 2.0539 2.0539 2.8877 2.8877 2.8881 2.8881 4.6223 4.6223 4.6224 4.6224 5.1332 5.1332 5.1336 5.1336 5.3379 5.3379 5.3386 5.3386 8.7198 8.7198 8.7198 8.7198 11.8189 11.8189 11.8190 11.8190 k = 0.5000 0.5000 0.1814 ( 3196 PWs) bands (ev): -11.7548 -11.7548 -11.7543 -11.7543 -10.5045 -10.5045 -10.5039 -10.5039 -3.4147 -3.4147 -3.4147 -3.4147 1.5778 1.5778 1.5782 1.5782 2.0338 2.0338 2.0338 2.0338 2.8295 2.8295 2.8299 2.8299 4.6703 4.6703 4.6704 4.6704 5.1796 5.1796 5.1800 5.1800 5.3401 5.3401 5.3407 5.3407 8.7863 8.7863 8.7864 8.7864 11.7933 11.7933 11.7935 11.7935 k = 0.5000 0.5000 0.1965 ( 3188 PWs) bands (ev): -11.7423 -11.7423 -11.7418 -11.7418 -10.4982 -10.4982 -10.4975 -10.4975 -3.4912 -3.4912 -3.4911 -3.4911 1.6232 1.6232 1.6235 1.6235 2.0080 2.0080 2.0080 2.0080 2.7807 2.7807 2.7812 2.7812 4.7136 4.7136 4.7138 4.7138 5.2291 5.2291 5.2296 5.2296 5.3424 5.3424 5.3431 5.3431 8.8575 8.8575 8.8575 8.8575 11.7665 11.7665 11.7667 11.7667 k = 0.5000 0.5000 0.2116 ( 3212 PWs) bands (ev): -11.7291 -11.7291 -11.7285 -11.7285 -10.4915 -10.4915 -10.4909 -10.4909 -3.5697 -3.5697 -3.5697 -3.5697 1.6662 1.6662 1.6665 1.6665 1.9771 1.9771 1.9771 1.9771 2.7422 2.7422 2.7426 2.7426 4.7524 4.7524 4.7525 4.7525 5.2813 5.2813 5.2817 5.2817 5.3451 5.3451 5.3457 5.3457 8.9329 8.9329 8.9329 8.9329 11.7387 11.7387 11.7389 11.7389 k = 0.5000 0.5000 0.2268 ( 3204 PWs) bands (ev): -11.7152 -11.7152 -11.7146 -11.7146 -10.4845 -10.4845 -10.4839 -10.4839 -3.6499 -3.6499 -3.6498 -3.6498 1.7035 1.7035 1.7038 1.7038 1.9442 1.9442 1.9443 1.9443 2.7137 2.7137 2.7142 2.7142 4.7865 4.7865 4.7866 4.7866 5.3334 5.3334 5.3339 5.3339 5.3506 5.3506 5.3512 5.3512 9.0122 9.0122 9.0122 9.0122 11.7102 11.7102 11.7104 11.7104 k = 0.5000 0.5000 0.2419 ( 3216 PWs) bands (ev): -11.7006 -11.7006 -11.7000 -11.7000 -10.4773 -10.4773 -10.4766 -10.4766 -3.7310 -3.7310 -3.7310 -3.7310 1.7272 1.7272 1.7275 1.7275 1.9176 1.9176 1.9178 1.9178 2.6949 2.6949 2.6953 2.6953 4.8162 4.8162 4.8163 4.8163 5.3481 5.3481 5.3488 5.3488 5.3958 5.3958 5.3963 5.3963 9.0949 9.0949 9.0949 9.0949 11.6811 11.6811 11.6813 11.6813 k = 0.5000 0.5000 0.2570 ( 3200 PWs) bands (ev): -11.6854 -11.6854 -11.6848 -11.6848 -10.4697 -10.4697 -10.4691 -10.4691 -3.8128 -3.8128 -3.8127 -3.8127 1.7242 1.7242 1.7243 1.7243 1.9115 1.9115 1.9117 1.9117 2.6846 2.6846 2.6850 2.6850 4.8416 4.8416 4.8416 4.8416 5.3514 5.3514 5.3520 5.3520 5.4546 5.4546 5.4550 5.4550 9.1806 9.1806 9.1806 9.1806 11.6517 11.6517 11.6519 11.6519 k = 0.5000 0.5000 0.2721 ( 3200 PWs) bands (ev): -11.6697 -11.6697 -11.6692 -11.6692 -10.4620 -10.4620 -10.4614 -10.4614 -3.8947 -3.8947 -3.8946 -3.8946 1.6912 1.6912 1.6913 1.6913 1.9299 1.9299 1.9302 1.9302 2.6815 2.6815 2.6819 2.6819 4.8628 4.8628 4.8628 4.8628 5.3542 5.3542 5.3548 5.3548 5.5154 5.5154 5.5158 5.5158 9.2688 9.2688 9.2688 9.2688 11.6222 11.6222 11.6224 11.6224 k = 0.5000 0.5000 0.2872 ( 3204 PWs) bands (ev): -11.6536 -11.6536 -11.6531 -11.6531 -10.4542 -10.4542 -10.4535 -10.4535 -3.9763 -3.9763 -3.9762 -3.9762 1.6406 1.6406 1.6407 1.6407 1.9618 1.9618 1.9621 1.9621 2.6845 2.6845 2.6849 2.6849 4.8800 4.8800 4.8800 4.8800 5.3570 5.3570 5.3576 5.3576 5.5775 5.5775 5.5779 5.5779 9.3589 9.3589 9.3590 9.3590 11.5928 11.5928 11.5930 11.5930 k = 0.5000 0.5000 0.3023 ( 3204 PWs) bands (ev): -11.6372 -11.6372 -11.6366 -11.6366 -10.4462 -10.4462 -10.4456 -10.4456 -4.0572 -4.0572 -4.0571 -4.0571 1.5819 1.5819 1.5820 1.5820 1.9986 1.9986 1.9989 1.9989 2.6923 2.6923 2.6927 2.6927 4.8934 4.8934 4.8934 4.8934 5.3598 5.3598 5.3604 5.3604 5.6404 5.6404 5.6408 5.6408 9.4505 9.4505 9.4506 9.4506 11.5636 11.5636 11.5639 11.5639 k = 0.5000 0.5000 0.3175 ( 3212 PWs) bands (ev): -11.6204 -11.6204 -11.6199 -11.6199 -10.4381 -10.4381 -10.4375 -10.4375 -4.1370 -4.1370 -4.1370 -4.1370 1.5196 1.5196 1.5198 1.5198 2.0367 2.0367 2.0371 2.0371 2.7041 2.7041 2.7044 2.7044 4.9033 4.9033 4.9033 4.9033 5.3626 5.3626 5.3633 5.3633 5.7037 5.7037 5.7041 5.7041 9.5430 9.5430 9.5431 9.5431 11.5350 11.5350 11.5352 11.5352 k = 0.5000 0.5000 0.3326 ( 3216 PWs) bands (ev): -11.6035 -11.6035 -11.6030 -11.6030 -10.4300 -10.4300 -10.4294 -10.4294 -4.2155 -4.2155 -4.2154 -4.2154 1.4560 1.4560 1.4561 1.4561 2.0746 2.0746 2.0750 2.0750 2.7189 2.7189 2.7193 2.7193 4.9098 4.9098 4.9099 4.9099 5.3654 5.3654 5.3661 5.3661 5.7669 5.7669 5.7674 5.7674 9.6358 9.6358 9.6359 9.6359 11.5070 11.5070 11.5073 11.5073 k = 0.5000 0.5000 0.3477 ( 3216 PWs) bands (ev): -11.5865 -11.5865 -11.5860 -11.5860 -10.4220 -10.4220 -10.4213 -10.4213 -4.2923 -4.2923 -4.2922 -4.2922 1.3923 1.3923 1.3925 1.3925 2.1116 2.1116 2.1120 2.1120 2.7363 2.7363 2.7366 2.7366 4.9134 4.9134 4.9134 4.9134 5.3682 5.3682 5.3688 5.3688 5.8298 5.8298 5.8302 5.8302 9.7284 9.7284 9.7285 9.7285 11.4800 11.4800 11.4802 11.4802 k = 0.5000 0.5000 0.3628 ( 3196 PWs) bands (ev): -11.5695 -11.5695 -11.5690 -11.5690 -10.4140 -10.4140 -10.4133 -10.4133 -4.3670 -4.3670 -4.3670 -4.3670 1.3295 1.3295 1.3297 1.3297 2.1472 2.1472 2.1476 2.1476 2.7556 2.7556 2.7559 2.7559 4.9141 4.9141 4.9142 4.9142 5.3710 5.3710 5.3716 5.3716 5.8917 5.8917 5.8921 5.8921 9.8203 9.8203 9.8204 9.8204 11.4540 11.4540 11.4542 11.4542 k = 0.5000 0.5000 0.3779 ( 3196 PWs) bands (ev): -11.5527 -11.5527 -11.5521 -11.5521 -10.4061 -10.4061 -10.4054 -10.4054 -4.4394 -4.4394 -4.4394 -4.4394 1.2682 1.2682 1.2683 1.2683 2.1813 2.1813 2.1816 2.1816 2.7763 2.7763 2.7766 2.7766 4.9124 4.9124 4.9125 4.9125 5.3737 5.3737 5.3743 5.3743 5.9524 5.9524 5.9528 5.9528 9.9107 9.9107 9.9108 9.9108 11.4292 11.4292 11.4294 11.4294 k = 0.5000 0.5000 0.3930 ( 3204 PWs) bands (ev): -11.5360 -11.5360 -11.5354 -11.5354 -10.3983 -10.3983 -10.3977 -10.3977 -4.5093 -4.5093 -4.5092 -4.5092 1.2088 1.2088 1.2089 1.2089 2.2136 2.2136 2.2140 2.2140 2.7981 2.7981 2.7985 2.7985 4.9084 4.9084 4.9085 4.9085 5.3763 5.3763 5.3769 5.3769 6.0114 6.0114 6.0118 6.0118 9.9991 9.9991 9.9992 9.9992 11.4058 11.4058 11.4060 11.4060 k = 0.5000 0.5000 0.4082 ( 3220 PWs) bands (ev): -11.5196 -11.5196 -11.5190 -11.5190 -10.3908 -10.3908 -10.3901 -10.3901 -4.5763 -4.5763 -4.5762 -4.5762 1.1517 1.1517 1.1519 1.1519 2.2442 2.2442 2.2445 2.2445 2.8207 2.8207 2.8210 2.8210 4.9025 4.9025 4.9027 4.9027 5.3789 5.3789 5.3795 5.3795 6.0683 6.0683 6.0688 6.0688 10.0849 10.0849 10.0850 10.0850 11.3840 11.3840 11.3842 11.3842 k = 0.5000 0.5000 0.4233 ( 3220 PWs) bands (ev): -11.5036 -11.5036 -11.5030 -11.5030 -10.3835 -10.3835 -10.3828 -10.3828 -4.6402 -4.6402 -4.6401 -4.6401 1.0974 1.0974 1.0975 1.0975 2.2729 2.2729 2.2732 2.2732 2.8436 2.8436 2.8440 2.8440 4.8950 4.8950 4.8951 4.8951 5.3813 5.3813 5.3820 5.3820 6.1230 6.1230 6.1234 6.1234 10.1675 10.1675 10.1676 10.1676 11.3639 11.3639 11.3641 11.3641 k = 0.5000 0.5000 0.4384 ( 3236 PWs) bands (ev): -11.4882 -11.4882 -11.4876 -11.4876 -10.3765 -10.3765 -10.3758 -10.3758 -4.7007 -4.7007 -4.7007 -4.7007 1.0459 1.0459 1.0461 1.0461 2.2996 2.2996 2.3000 2.3000 2.8667 2.8667 2.8670 2.8670 4.8860 4.8860 4.8862 4.8862 5.3837 5.3837 5.3843 5.3843 6.1749 6.1749 6.1753 6.1753 10.2463 10.2463 10.2465 10.2465 11.3457 11.3457 11.3460 11.3460 k = 0.5000 0.5000 0.4535 ( 3244 PWs) bands (ev): -11.4733 -11.4733 -11.4728 -11.4728 -10.3698 -10.3698 -10.3691 -10.3691 -4.7578 -4.7578 -4.7577 -4.7577 0.9975 0.9975 0.9977 0.9977 2.3245 2.3245 2.3248 2.3248 2.8895 2.8895 2.8899 2.8899 4.8761 4.8761 4.8763 4.8763 5.3860 5.3860 5.3866 5.3866 6.2239 6.2239 6.2243 6.2243 10.3207 10.3207 10.3209 10.3209 11.3296 11.3296 11.3298 11.3298 k = 0.5000 0.5000 0.4686 ( 3244 PWs) bands (ev): -11.4592 -11.4592 -11.4587 -11.4587 -10.3635 -10.3635 -10.3628 -10.3628 -4.8110 -4.8110 -4.8110 -4.8110 0.9525 0.9525 0.9526 0.9526 2.3473 2.3473 2.3477 2.3477 2.9119 2.9119 2.9123 2.9123 4.8654 4.8654 4.8656 4.8656 5.3881 5.3881 5.3887 5.3887 6.2696 6.2696 6.2701 6.2701 10.3902 10.3902 10.3904 10.3904 11.3156 11.3156 11.3159 11.3159 k = 0.5000 0.5000 0.4837 ( 3228 PWs) bands (ev): -11.4460 -11.4460 -11.4454 -11.4454 -10.3576 -10.3576 -10.3569 -10.3569 -4.8604 -4.8604 -4.8603 -4.8603 0.9109 0.9109 0.9110 0.9110 2.3682 2.3682 2.3686 2.3686 2.9335 2.9335 2.9339 2.9339 4.8543 4.8543 4.8545 4.8545 5.3901 5.3901 5.3907 5.3907 6.3120 6.3120 6.3124 6.3124 10.4542 10.4542 10.4544 10.4544 11.3041 11.3041 11.3043 11.3043 k = 0.5000 0.5000 0.4989 ( 3232 PWs) bands (ev): -11.4336 -11.4336 -11.4330 -11.4330 -10.3521 -10.3521 -10.3514 -10.3514 -4.9056 -4.9056 -4.9055 -4.9055 0.8729 0.8729 0.8730 0.8730 2.3872 2.3872 2.3875 2.3875 2.9542 2.9542 2.9545 2.9545 4.8430 4.8430 4.8432 4.8432 5.3919 5.3919 5.3926 5.3926 6.3507 6.3507 6.3511 6.3511 10.5122 10.5122 10.5124 10.5124 11.2949 11.2949 11.2951 11.2951 k = 0.5000 0.5000 0.5140 ( 3232 PWs) bands (ev): -11.4223 -11.4223 -11.4217 -11.4217 -10.3471 -10.3471 -10.3465 -10.3465 -4.9465 -4.9465 -4.9464 -4.9464 0.8386 0.8386 0.8387 0.8387 2.4041 2.4041 2.4045 2.4045 2.9735 2.9735 2.9739 2.9739 4.8319 4.8319 4.8322 4.8322 5.3936 5.3936 5.3942 5.3942 6.3857 6.3857 6.3861 6.3861 10.5639 10.5639 10.5640 10.5640 11.2881 11.2881 11.2883 11.2883 k = 0.5000 0.5000 0.5291 ( 3232 PWs) bands (ev): -11.4120 -11.4120 -11.4114 -11.4114 -10.3426 -10.3426 -10.3420 -10.3420 -4.9830 -4.9830 -4.9829 -4.9829 0.8081 0.8081 0.8083 0.8083 2.4191 2.4191 2.4194 2.4194 2.9913 2.9913 2.9917 2.9917 4.8213 4.8213 4.8215 4.8215 5.3951 5.3951 5.3957 5.3957 6.4168 6.4168 6.4172 6.4172 10.6089 10.6090 10.6091 10.6091 11.2835 11.2835 11.2837 11.2837 k = 0.5000 0.5000 0.5442 ( 3224 PWs) bands (ev): -11.4030 -11.4030 -11.4024 -11.4024 -10.3387 -10.3387 -10.3380 -10.3380 -5.0148 -5.0148 -5.0148 -5.0148 0.7815 0.7815 0.7817 0.7817 2.4320 2.4320 2.4324 2.4324 3.0074 3.0074 3.0078 3.0078 4.8114 4.8114 4.8117 4.8117 5.3964 5.3964 5.3971 5.3971 6.4439 6.4439 6.4443 6.4443 10.6473 10.6473 10.6474 10.6474 11.2811 11.2811 11.2812 11.2812 k = 0.5000 0.5000 0.5593 ( 3224 PWs) bands (ev): -11.3952 -11.3952 -11.3946 -11.3946 -10.3353 -10.3353 -10.3347 -10.3347 -5.0420 -5.0420 -5.0420 -5.0420 0.7589 0.7589 0.7591 0.7591 2.4430 2.4430 2.4434 2.4434 3.0214 3.0214 3.0218 3.0218 4.8025 4.8025 4.8028 4.8028 5.3976 5.3976 5.3982 5.3982 6.4670 6.4670 6.4674 6.4674 10.6790 10.6790 10.6791 10.6791 11.2803 11.2803 11.2804 11.2804 k = 0.5000 0.5000 0.5745 ( 3216 PWs) bands (ev): -11.3887 -11.3887 -11.3881 -11.3881 -10.3325 -10.3325 -10.3319 -10.3319 -5.0644 -5.0644 -5.0644 -5.0644 0.7403 0.7403 0.7405 0.7405 2.4520 2.4520 2.4524 2.4524 3.0332 3.0332 3.0336 3.0336 4.7949 4.7949 4.7952 4.7952 5.3985 5.3985 5.3991 5.3991 6.4859 6.4859 6.4863 6.4863 10.7042 10.7042 10.7043 10.7043 11.2807 11.2807 11.2809 11.2809 k = 0.5000 0.5000 0.5896 ( 3224 PWs) bands (ev): -11.3836 -11.3836 -11.3830 -11.3830 -10.3303 -10.3303 -10.3297 -10.3297 -5.0819 -5.0819 -5.0819 -5.0819 0.7258 0.7258 0.7260 0.7260 2.4590 2.4590 2.4594 2.4594 3.0425 3.0425 3.0430 3.0430 4.7887 4.7887 4.7890 4.7890 5.3992 5.3992 5.3999 5.3999 6.5007 6.5007 6.5011 6.5011 10.7232 10.7232 10.7233 10.7233 11.2819 11.2819 11.2820 11.2820 k = 0.5000 0.5000 0.6047 ( 3216 PWs) bands (ev): -11.3800 -11.3800 -11.3794 -11.3794 -10.3287 -10.3287 -10.3281 -10.3281 -5.0945 -5.0945 -5.0944 -5.0944 0.7154 0.7154 0.7156 0.7156 2.4640 2.4640 2.4644 2.4644 3.0494 3.0494 3.0498 3.0498 4.7842 4.7842 4.7845 4.7845 5.3998 5.3998 5.4004 5.4004 6.5112 6.5112 6.5116 6.5116 10.7365 10.7365 10.7366 10.7366 11.2831 11.2831 11.2832 11.2832 k = 0.5000 0.5000 0.6198 ( 3216 PWs) bands (ev): -11.3778 -11.3778 -11.3772 -11.3772 -10.3278 -10.3278 -10.3271 -10.3271 -5.1020 -5.1020 -5.1020 -5.1020 0.7091 0.7091 0.7093 0.7093 2.4670 2.4670 2.4673 2.4673 3.0535 3.0535 3.0539 3.0539 4.7815 4.7815 4.7818 4.7818 5.4001 5.4001 5.4007 5.4007 6.5176 6.5176 6.5180 6.5180 10.7444 10.7444 10.7444 10.7444 11.2841 11.2841 11.2841 11.2841 k = 0.5000 0.5000 0.6349 ( 3216 PWs) bands (ev): -11.3770 -11.3770 -11.3764 -11.3764 -10.3275 -10.3275 -10.3268 -10.3268 -5.1046 -5.1046 -5.1045 -5.1045 0.7071 0.7071 0.7073 0.7073 2.4680 2.4680 2.4683 2.4683 3.0549 3.0549 3.0553 3.0553 4.7805 4.7805 4.7808 4.7808 5.4002 5.4002 5.4008 5.4008 6.5197 6.5197 6.5201 6.5201 10.7469 10.7469 10.7470 10.7470 11.2845 11.2845 11.2845 11.2845 Writing output data file TeO2.save init_run : 0.18s CPU 0.49s WALL ( 1 calls) electrons : 109.16s CPU 111.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.02s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 109.16s CPU 111.25s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 361 calls) cegterg : 101.52s CPU 103.15s WALL ( 460 calls) Called by sum_band: Called by *egterg: h_psi : 48.13s CPU 49.29s WALL ( 7956 calls) s_psi : 3.34s CPU 3.30s WALL ( 7956 calls) g_psi : 0.16s CPU 0.17s WALL ( 7135 calls) cdiaghg : 44.23s CPU 44.73s WALL ( 7496 calls) cegterg:over : 4.02s CPU 4.19s WALL ( 7135 calls) cegterg:upda : 3.13s CPU 3.23s WALL ( 7135 calls) cegterg:last : 1.90s CPU 1.85s WALL ( 1311 calls) cdiaghg:chol : 2.44s CPU 2.44s WALL ( 7496 calls) cdiaghg:inve : 1.48s CPU 1.47s WALL ( 7496 calls) cdiaghg:para : 2.38s CPU 2.57s WALL ( 14992 calls) Called by h_psi: h_psi:vloc : 39.83s CPU 40.98s WALL ( 7956 calls) h_psi:vnl : 8.13s CPU 8.14s WALL ( 7956 calls) add_vuspsi : 3.90s CPU 3.96s WALL ( 7956 calls) General routines calbec : 4.21s CPU 4.16s WALL ( 7956 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 36.54s CPU 37.57s WALL ( 738444 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.17s WALL ( 722 calls) Parallel routines fft_scatter : 17.92s CPU 18.28s WALL ( 738467 calls) PWSCF : 2m 2.09s CPU 2m19.51s WALL This run was terminated on: 21: 2:10 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=