Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 14:35: 6 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Cs3O.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 85 84 22 4635 4543 632 Max 86 85 23 4642 4557 639 Sum 6157 6067 1639 333933 327603 45791 bravais-lattice index = 14 lattice parameter (alat) = 16.5918 a.u. unit-cell volume = 3387.9267 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 16.591794 celldm(2)= 1.000000 celldm(3)= 0.856492 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.856492 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.167553 ) 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 Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cs 9.00 132.90550 Cs( 1.00) 12 Sym. Ops., with inversion, found (note: 12 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 [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 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 = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 8) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 -6 -5 180 deg rotation - cart. axis [0,1,0] 3C2' 5 6 -2 180 deg rotation - cryst. axis [1,-1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 -12 -11 inv. 180 deg rotation - cart. axis [0,1,0] 3s_v 11 12 -8 inv. 180 deg rotation - cryst. axis [1,-1,0] Cartesian axes number of k points= 186 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053763 k( 2) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0053763 k( 3) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0053763 k( 4) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0053763 k( 5) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0053763 k( 6) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0053763 k( 7) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0053763 k( 8) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0053763 k( 9) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0053763 k( 10) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0053763 k( 11) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0053763 k( 12) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0053763 k( 13) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0053763 k( 14) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0053763 k( 15) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0053763 k( 16) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0053763 k( 17) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0053763 k( 18) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0053763 k( 19) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0053763 k( 20) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0053763 k( 21) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0053763 k( 22) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0053763 k( 23) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0053763 k( 24) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0053763 k( 25) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0053763 k( 26) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0053763 k( 27) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0053763 k( 28) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0053763 k( 29) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0053763 k( 30) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0053763 k( 31) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0053763 k( 32) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0053763 k( 33) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0053763 k( 34) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0053763 k( 35) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0053763 k( 36) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0053763 k( 37) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0053763 k( 38) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0053763 k( 39) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0053763 k( 40) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0053763 k( 41) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0053763 k( 42) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0053763 k( 43) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0053763 k( 44) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0053763 k( 45) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0053763 k( 46) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0053763 k( 47) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0053763 k( 48) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0053763 k( 49) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0053763 k( 50) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0053763 k( 51) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0053763 k( 52) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0053763 k( 53) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0053763 k( 54) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0053763 k( 55) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0053763 k( 56) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0053763 k( 57) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0053763 k( 58) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0053763 k( 59) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0053763 k( 60) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053763 k( 61) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053763 k( 62) = ( 0.0000000 0.0000000 0.0277989), wk = 0.0053763 k( 63) = ( 0.0000000 0.0000000 0.0555978), wk = 0.0053763 k( 64) = ( 0.0000000 0.0000000 0.0833967), wk = 0.0053763 k( 65) = ( 0.0000000 0.0000000 0.1111955), wk = 0.0053763 k( 66) = ( 0.0000000 0.0000000 0.1389944), wk = 0.0053763 k( 67) = ( 0.0000000 0.0000000 0.1667933), wk = 0.0053763 k( 68) = ( 0.0000000 0.0000000 0.1945922), wk = 0.0053763 k( 69) = ( 0.0000000 0.0000000 0.2223911), wk = 0.0053763 k( 70) = ( 0.0000000 0.0000000 0.2501900), wk = 0.0053763 k( 71) = ( 0.0000000 0.0000000 0.2779889), wk = 0.0053763 k( 72) = ( 0.0000000 0.0000000 0.3057877), wk = 0.0053763 k( 73) = ( 0.0000000 0.0000000 0.3335866), wk = 0.0053763 k( 74) = ( 0.0000000 0.0000000 0.3613855), wk = 0.0053763 k( 75) = ( 0.0000000 0.0000000 0.3891844), wk = 0.0053763 k( 76) = ( 0.0000000 0.0000000 0.4169833), wk = 0.0053763 k( 77) = ( 0.0000000 0.0000000 0.4447822), wk = 0.0053763 k( 78) = ( 0.0000000 0.0000000 0.4725810), wk = 0.0053763 k( 79) = ( 0.0000000 0.0000000 0.5003799), wk = 0.0053763 k( 80) = ( 0.0000000 0.0000000 0.5281788), wk = 0.0053763 k( 81) = ( 0.0000000 0.0000000 0.5559777), wk = 0.0053763 k( 82) = ( 0.0000000 0.0000000 0.5837766), wk = 0.0053763 k( 83) = ( 0.0000000 0.0000000 0.5837766), wk = 0.0053763 k( 84) = ( 0.0238095 0.0137464 0.5837766), wk = 0.0053763 k( 85) = ( 0.0476191 0.0274929 0.5837766), wk = 0.0053763 k( 86) = ( 0.0714286 0.0412393 0.5837766), wk = 0.0053763 k( 87) = ( 0.0952381 0.0549857 0.5837766), wk = 0.0053763 k( 88) = ( 0.1190476 0.0687322 0.5837766), wk = 0.0053763 k( 89) = ( 0.1428571 0.0824786 0.5837766), wk = 0.0053763 k( 90) = ( 0.1666667 0.0962250 0.5837766), wk = 0.0053763 k( 91) = ( 0.1904762 0.1099715 0.5837766), wk = 0.0053763 k( 92) = ( 0.2142857 0.1237179 0.5837766), wk = 0.0053763 k( 93) = ( 0.2380952 0.1374644 0.5837766), wk = 0.0053763 k( 94) = ( 0.2619048 0.1512108 0.5837766), wk = 0.0053763 k( 95) = ( 0.2857143 0.1649572 0.5837766), wk = 0.0053763 k( 96) = ( 0.3095238 0.1787037 0.5837766), wk = 0.0053763 k( 97) = ( 0.3333333 0.1924501 0.5837766), wk = 0.0053763 k( 98) = ( 0.3571429 0.2061965 0.5837766), wk = 0.0053763 k( 99) = ( 0.3809524 0.2199430 0.5837766), wk = 0.0053763 k( 100) = ( 0.4047619 0.2336894 0.5837766), wk = 0.0053763 k( 101) = ( 0.4285714 0.2474358 0.5837766), wk = 0.0053763 k( 102) = ( 0.4523810 0.2611823 0.5837766), wk = 0.0053763 k( 103) = ( 0.4761905 0.2749287 0.5837766), wk = 0.0053763 k( 104) = ( 0.5000000 0.2886751 0.5837766), wk = 0.0053763 k( 105) = ( 0.5000000 0.2886751 0.5837766), wk = 0.0053763 k( 106) = ( 0.4861111 0.3127314 0.5837766), wk = 0.0053763 k( 107) = ( 0.4722222 0.3367877 0.5837766), wk = 0.0053763 k( 108) = ( 0.4583333 0.3608439 0.5837766), wk = 0.0053763 k( 109) = ( 0.4444444 0.3849002 0.5837766), wk = 0.0053763 k( 110) = ( 0.4305556 0.4089564 0.5837766), wk = 0.0053763 k( 111) = ( 0.4166667 0.4330127 0.5837766), wk = 0.0053763 k( 112) = ( 0.4027778 0.4570690 0.5837766), wk = 0.0053763 k( 113) = ( 0.3888889 0.4811252 0.5837766), wk = 0.0053763 k( 114) = ( 0.3750000 0.5051815 0.5837766), wk = 0.0053763 k( 115) = ( 0.3611111 0.5292377 0.5837766), wk = 0.0053763 k( 116) = ( 0.3472222 0.5532940 0.5837766), wk = 0.0053763 k( 117) = ( 0.3333333 0.5773503 0.5837766), wk = 0.0053763 k( 118) = ( 0.3333333 0.5773503 0.5837766), wk = 0.0053763 k( 119) = ( 0.3194444 0.5532940 0.5837766), wk = 0.0053763 k( 120) = ( 0.3055556 0.5292378 0.5837766), wk = 0.0053763 k( 121) = ( 0.2916667 0.5051815 0.5837766), wk = 0.0053763 k( 122) = ( 0.2777778 0.4811252 0.5837766), wk = 0.0053763 k( 123) = ( 0.2638889 0.4570690 0.5837766), wk = 0.0053763 k( 124) = ( 0.2500000 0.4330127 0.5837766), wk = 0.0053763 k( 125) = ( 0.2361111 0.4089564 0.5837766), wk = 0.0053763 k( 126) = ( 0.2222222 0.3849002 0.5837766), wk = 0.0053763 k( 127) = ( 0.2083333 0.3608439 0.5837766), wk = 0.0053763 k( 128) = ( 0.1944444 0.3367876 0.5837766), wk = 0.0053763 k( 129) = ( 0.1805556 0.3127314 0.5837766), wk = 0.0053763 k( 130) = ( 0.1666667 0.2886751 0.5837766), wk = 0.0053763 k( 131) = ( 0.1527778 0.2646189 0.5837766), wk = 0.0053763 k( 132) = ( 0.1388889 0.2405626 0.5837766), wk = 0.0053763 k( 133) = ( 0.1250000 0.2165064 0.5837766), wk = 0.0053763 k( 134) = ( 0.1111111 0.1924501 0.5837766), wk = 0.0053763 k( 135) = ( 0.0972222 0.1683938 0.5837766), wk = 0.0053763 k( 136) = ( 0.0833333 0.1443376 0.5837766), wk = 0.0053763 k( 137) = ( 0.0694444 0.1202813 0.5837766), wk = 0.0053763 k( 138) = ( 0.0555556 0.0962251 0.5837766), wk = 0.0053763 k( 139) = ( 0.0416667 0.0721688 0.5837766), wk = 0.0053763 k( 140) = ( 0.0277778 0.0481125 0.5837766), wk = 0.0053763 k( 141) = ( 0.0138889 0.0240563 0.5837766), wk = 0.0053763 k( 142) = ( 0.0000000 0.0000000 0.5837766), wk = 0.0053763 k( 143) = ( 0.5000000 0.2886751 0.5837766), wk = 0.0053763 k( 144) = ( 0.5000000 0.2886751 0.5559777), wk = 0.0053763 k( 145) = ( 0.5000000 0.2886751 0.5281788), wk = 0.0053763 k( 146) = ( 0.5000000 0.2886751 0.5003799), wk = 0.0053763 k( 147) = ( 0.5000000 0.2886751 0.4725810), wk = 0.0053763 k( 148) = ( 0.5000000 0.2886751 0.4447822), wk = 0.0053763 k( 149) = ( 0.5000000 0.2886751 0.4169833), wk = 0.0053763 k( 150) = ( 0.5000000 0.2886751 0.3891844), wk = 0.0053763 k( 151) = ( 0.5000000 0.2886751 0.3613855), wk = 0.0053763 k( 152) = ( 0.5000000 0.2886751 0.3335866), wk = 0.0053763 k( 153) = ( 0.5000000 0.2886751 0.3057877), wk = 0.0053763 k( 154) = ( 0.5000000 0.2886751 0.2779889), wk = 0.0053763 k( 155) = ( 0.5000000 0.2886751 0.2501900), wk = 0.0053763 k( 156) = ( 0.5000000 0.2886751 0.2223911), wk = 0.0053763 k( 157) = ( 0.5000000 0.2886751 0.1945922), wk = 0.0053763 k( 158) = ( 0.5000000 0.2886751 0.1667933), wk = 0.0053763 k( 159) = ( 0.5000000 0.2886751 0.1389944), wk = 0.0053763 k( 160) = ( 0.5000000 0.2886751 0.1111955), wk = 0.0053763 k( 161) = ( 0.5000000 0.2886751 0.0833967), wk = 0.0053763 k( 162) = ( 0.5000000 0.2886751 0.0555978), wk = 0.0053763 k( 163) = ( 0.5000000 0.2886751 0.0277989), wk = 0.0053763 k( 164) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0053763 k( 165) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0053763 k( 166) = ( 0.3333333 0.5773503 0.0277989), wk = 0.0053763 k( 167) = ( 0.3333333 0.5773503 0.0555978), wk = 0.0053763 k( 168) = ( 0.3333333 0.5773503 0.0833967), wk = 0.0053763 k( 169) = ( 0.3333333 0.5773503 0.1111955), wk = 0.0053763 k( 170) = ( 0.3333333 0.5773503 0.1389944), wk = 0.0053763 k( 171) = ( 0.3333333 0.5773503 0.1667933), wk = 0.0053763 k( 172) = ( 0.3333333 0.5773503 0.1945922), wk = 0.0053763 k( 173) = ( 0.3333333 0.5773503 0.2223911), wk = 0.0053763 k( 174) = ( 0.3333333 0.5773503 0.2501900), wk = 0.0053763 k( 175) = ( 0.3333333 0.5773503 0.2779889), wk = 0.0053763 k( 176) = ( 0.3333333 0.5773503 0.3057877), wk = 0.0053763 k( 177) = ( 0.3333333 0.5773503 0.3335866), wk = 0.0053763 k( 178) = ( 0.3333333 0.5773503 0.3613855), wk = 0.0053763 k( 179) = ( 0.3333333 0.5773503 0.3891844), wk = 0.0053763 k( 180) = ( 0.3333333 0.5773503 0.4169833), wk = 0.0053763 k( 181) = ( 0.3333333 0.5773503 0.4447822), wk = 0.0053763 k( 182) = ( 0.3333333 0.5773503 0.4725810), wk = 0.0053763 k( 183) = ( 0.3333333 0.5773503 0.5003799), wk = 0.0053763 k( 184) = ( 0.3333333 0.5773503 0.5281788), wk = 0.0053763 k( 185) = ( 0.3333333 0.5773503 0.5559777), wk = 0.0053763 k( 186) = ( 0.3333333 0.5773503 0.5837766), wk = 0.0053763 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053763 k( 2) = ( 0.0238095 -0.0000000 0.0000000), wk = 0.0053763 k( 3) = ( 0.0476191 -0.0000000 0.0000000), wk = 0.0053763 k( 4) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0053763 k( 5) = ( 0.0952381 -0.0000000 0.0000000), wk = 0.0053763 k( 6) = ( 0.1190476 -0.0000000 0.0000000), wk = 0.0053763 k( 7) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0053763 k( 8) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0053763 k( 9) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0053763 k( 10) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0053763 k( 11) = ( 0.2380952 -0.0000000 0.0000000), wk = 0.0053763 k( 12) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0053763 k( 13) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0053763 k( 14) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0053763 k( 15) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0053763 k( 16) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0053763 k( 17) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0053763 k( 18) = ( 0.4047619 -0.0000000 0.0000000), wk = 0.0053763 k( 19) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0053763 k( 20) = ( 0.4523810 -0.0000000 0.0000000), wk = 0.0053763 k( 21) = ( 0.4761905 -0.0000000 0.0000000), wk = 0.0053763 k( 22) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0053763 k( 23) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0053763 k( 24) = ( 0.4861111 0.0277778 -0.0000000), wk = 0.0053763 k( 25) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0053763 k( 26) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0053763 k( 27) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0053763 k( 28) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0053763 k( 29) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0053763 k( 30) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0053763 k( 31) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0053763 k( 32) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0053763 k( 33) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0053763 k( 34) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0053763 k( 35) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0053763 k( 36) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0053763 k( 37) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0053763 k( 38) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0053763 k( 39) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0053763 k( 40) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0053763 k( 41) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0053763 k( 42) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0053763 k( 43) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0053763 k( 44) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0053763 k( 45) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0053763 k( 46) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0053763 k( 47) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0053763 k( 48) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0053763 k( 49) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0053763 k( 50) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0053763 k( 51) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0053763 k( 52) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0053763 k( 53) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0053763 k( 54) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0053763 k( 55) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0053763 k( 56) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0053763 k( 57) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0053763 k( 58) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0053763 k( 59) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0053763 k( 60) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053763 k( 61) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053763 k( 62) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0053763 k( 63) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0053763 k( 64) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0053763 k( 65) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0053763 k( 66) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0053763 k( 67) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0053763 k( 68) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0053763 k( 69) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0053763 k( 70) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0053763 k( 71) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0053763 k( 72) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0053763 k( 73) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0053763 k( 74) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0053763 k( 75) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0053763 k( 76) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0053763 k( 77) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0053763 k( 78) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0053763 k( 79) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0053763 k( 80) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0053763 k( 81) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0053763 k( 82) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0053763 k( 83) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0053763 k( 84) = ( 0.0238095 -0.0000000 0.5000000), wk = 0.0053763 k( 85) = ( 0.0476191 -0.0000000 0.5000000), wk = 0.0053763 k( 86) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0053763 k( 87) = ( 0.0952381 -0.0000000 0.5000000), wk = 0.0053763 k( 88) = ( 0.1190476 -0.0000000 0.5000000), wk = 0.0053763 k( 89) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0053763 k( 90) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0053763 k( 91) = ( 0.1904762 -0.0000000 0.5000000), wk = 0.0053763 k( 92) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0053763 k( 93) = ( 0.2380952 -0.0000000 0.5000000), wk = 0.0053763 k( 94) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0053763 k( 95) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0053763 k( 96) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0053763 k( 97) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0053763 k( 98) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0053763 k( 99) = ( 0.3809524 -0.0000000 0.5000000), wk = 0.0053763 k( 100) = ( 0.4047619 -0.0000000 0.5000000), wk = 0.0053763 k( 101) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0053763 k( 102) = ( 0.4523810 -0.0000000 0.5000000), wk = 0.0053763 k( 103) = ( 0.4761905 -0.0000000 0.5000000), wk = 0.0053763 k( 104) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0053763 k( 105) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0053763 k( 106) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0053763 k( 107) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0053763 k( 108) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0053763 k( 109) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0053763 k( 110) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0053763 k( 111) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0053763 k( 112) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0053763 k( 113) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0053763 k( 114) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0053763 k( 115) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0053763 k( 116) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0053763 k( 117) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0053763 k( 118) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0053763 k( 119) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0053763 k( 120) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0053763 k( 121) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0053763 k( 122) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0053763 k( 123) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0053763 k( 124) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0053763 k( 125) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0053763 k( 126) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0053763 k( 127) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0053763 k( 128) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0053763 k( 129) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0053763 k( 130) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0053763 k( 131) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0053763 k( 132) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0053763 k( 133) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0053763 k( 134) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0053763 k( 135) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0053763 k( 136) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0053763 k( 137) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0053763 k( 138) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0053763 k( 139) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0053763 k( 140) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0053763 k( 141) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0053763 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0053763 k( 143) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0053763 k( 144) = ( 0.5000000 -0.0000000 0.4761905), wk = 0.0053763 k( 145) = ( 0.5000000 -0.0000000 0.4523810), wk = 0.0053763 k( 146) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0053763 k( 147) = ( 0.5000000 -0.0000000 0.4047619), wk = 0.0053763 k( 148) = ( 0.5000000 -0.0000000 0.3809524), wk = 0.0053763 k( 149) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0053763 k( 150) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0053763 k( 151) = ( 0.5000000 -0.0000000 0.3095238), wk = 0.0053763 k( 152) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0053763 k( 153) = ( 0.5000000 -0.0000000 0.2619048), wk = 0.0053763 k( 154) = ( 0.5000000 -0.0000000 0.2380952), wk = 0.0053763 k( 155) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0053763 k( 156) = ( 0.5000000 -0.0000000 0.1904762), wk = 0.0053763 k( 157) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0053763 k( 158) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0053763 k( 159) = ( 0.5000000 -0.0000000 0.1190476), wk = 0.0053763 k( 160) = ( 0.5000000 -0.0000000 0.0952381), wk = 0.0053763 k( 161) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0053763 k( 162) = ( 0.5000000 -0.0000000 0.0476191), wk = 0.0053763 k( 163) = ( 0.5000000 -0.0000000 0.0238095), wk = 0.0053763 k( 164) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0053763 k( 165) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0053763 k( 166) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0053763 k( 167) = ( 0.3333333 0.3333333 0.0476191), wk = 0.0053763 k( 168) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0053763 k( 169) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0053763 k( 170) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0053763 k( 171) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0053763 k( 172) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0053763 k( 173) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0053763 k( 174) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0053763 k( 175) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0053763 k( 176) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0053763 k( 177) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0053763 k( 178) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0053763 k( 179) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0053763 k( 180) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0053763 k( 181) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0053763 k( 182) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0053763 k( 183) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0053763 k( 184) = ( 0.3333333 0.3333333 0.4523810), wk = 0.0053763 k( 185) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0053763 k( 186) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0053763 Dense grid: 333933 G-vectors FFT dimensions: ( 96, 96, 81) Smooth grid: 327603 G-vectors FFT dimensions: ( 96, 96, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 1.40 Mb ( 1144, 80) NL pseudopotentials 3.49 Mb ( 572, 400) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.04 Mb ( 4637) G-vector shells 0.02 Mb ( 2340) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 5.59 Mb ( 1144, 320) Each subspace H/S matrix 0.04 Mb ( 53, 53) Each matrix 0.98 Mb ( 400, 2, 80) The potential is recalculated from file : ./Cs3O.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.9 secs Computing kpt #: 2 total cpu time spent up to now is 13.1 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 23.7 secs Computing kpt #: 4 total cpu time spent up to now is 32.4 secs Computing kpt #: 5 total cpu time spent up to now is 39.8 secs Computing kpt #: 6 total cpu time spent up to now is 46.6 secs Computing kpt #: 7 total cpu time spent up to now is 53.0 secs Computing kpt #: 8 total cpu time spent up to now is 59.3 secs Computing kpt #: 9 total cpu time spent up to now is 65.6 secs Computing kpt #: 10 total cpu time spent up to now is 71.9 secs Computing kpt #: 11 total cpu time spent up to now is 78.1 secs Computing kpt #: 12 total cpu time spent up to now is 83.9 secs Computing kpt #: 13 total cpu time spent up to now is 89.5 secs Computing kpt #: 14 total cpu time spent up to now is 95.8 secs Computing kpt #: 15 total cpu time spent up to now is 102.2 secs Computing kpt #: 16 total cpu time spent up to now is 108.4 secs Computing kpt #: 17 total cpu time spent up to now is 114.6 secs Computing kpt #: 18 total cpu time spent up to now is 120.2 secs Computing kpt #: 19 total cpu time spent up to now is 126.5 secs Computing kpt #: 20 total cpu time spent up to now is 132.8 secs Computing kpt #: 21 total cpu time spent up to now is 139.3 secs Computing kpt #: 22 total cpu time spent up to now is 144.8 secs Computing kpt #: 23 total cpu time spent up to now is 151.2 secs Computing kpt #: 24 total cpu time spent up to now is 156.7 secs Computing kpt #: 25 total cpu time spent up to now is 163.3 secs Computing kpt #: 26 total cpu time spent up to now is 169.6 secs Computing kpt #: 27 total cpu time spent up to now is 175.3 secs Computing kpt #: 28 total cpu time spent up to now is 181.1 secs Computing kpt #: 29 total cpu time spent up to now is 186.7 secs Computing kpt #: 30 total cpu time spent up to now is 192.3 secs Computing kpt #: 31 total cpu time spent up to now is 197.6 secs Computing kpt #: 32 total cpu time spent up to now is 203.0 secs Computing kpt #: 33 total cpu time spent up to now is 208.3 secs Computing kpt #: 34 total cpu time spent up to now is 213.6 secs Computing kpt #: 35 total cpu time spent up to now is 219.1 secs Computing kpt #: 36 total cpu time spent up to now is 224.4 secs Computing kpt #: 37 total cpu time spent up to now is 229.7 secs Computing kpt #: 38 total cpu time spent up to now is 235.4 secs Computing kpt #: 39 total cpu time spent up to now is 240.9 secs Computing kpt #: 40 total cpu time spent up to now is 246.4 secs Computing kpt #: 41 total cpu time spent up to now is 251.8 secs Computing kpt #: 42 total cpu time spent up to now is 257.1 secs Computing kpt #: 43 total cpu time spent up to now is 262.6 secs Computing kpt #: 44 total cpu time spent up to now is 268.1 secs Computing kpt #: 45 total cpu time spent up to now is 273.7 secs Computing kpt #: 46 total cpu time spent up to now is 279.2 secs Computing kpt #: 47 total cpu time spent up to now is 284.5 secs Computing kpt #: 48 total cpu time spent up to now is 290.1 secs Computing kpt #: 49 total cpu time spent up to now is 295.6 secs Computing kpt #: 50 total cpu time spent up to now is 301.9 secs Computing kpt #: 51 total cpu time spent up to now is 307.3 secs Computing kpt #: 52 total cpu time spent up to now is 313.8 secs Computing kpt #: 53 total cpu time spent up to now is 319.5 secs Computing kpt #: 54 total cpu time spent up to now is 325.9 secs Computing kpt #: 55 total cpu time spent up to now is 332.2 secs Computing kpt #: 56 total cpu time spent up to now is 339.6 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 349.9 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 442.2 secs Computing kpt #: 59 total cpu time spent up to now is 448.6 secs Computing kpt #: 60 total cpu time spent up to now is 453.8 secs Computing kpt #: 61 total cpu time spent up to now is 459.2 secs Computing kpt #: 62 total cpu time spent up to now is 464.3 secs Computing kpt #: 63 total cpu time spent up to now is 469.6 secs Computing kpt #: 64 total cpu time spent up to now is 475.9 secs Computing kpt #: 65 total cpu time spent up to now is 482.2 secs Computing kpt #: 66 total cpu time spent up to now is 489.8 secs Computing kpt #: 67 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 500.0 secs Computing kpt #: 68 total cpu time spent up to now is 507.8 secs Computing kpt #: 69 total cpu time spent up to now is 516.6 secs Computing kpt #: 70 total cpu time spent up to now is 522.8 secs Computing kpt #: 71 total cpu time spent up to now is 529.1 secs Computing kpt #: 72 total cpu time spent up to now is 535.3 secs Computing kpt #: 73 total cpu time spent up to now is 541.6 secs Computing kpt #: 74 total cpu time spent up to now is 548.1 secs Computing kpt #: 75 total cpu time spent up to now is 555.6 secs Computing kpt #: 76 total cpu time spent up to now is 563.4 secs Computing kpt #: 77 total cpu time spent up to now is 571.2 secs Computing kpt #: 78 total cpu time spent up to now is 580.2 secs Computing kpt #: 79 total cpu time spent up to now is 586.9 secs Computing kpt #: 80 total cpu time spent up to now is 630.9 secs Computing kpt #: 81 total cpu time spent up to now is 636.7 secs Computing kpt #: 82 total cpu time spent up to now is 642.6 secs Computing kpt #: 83 total cpu time spent up to now is 648.6 secs Computing kpt #: 84 total cpu time spent up to now is 654.5 secs Computing kpt #: 85 total cpu time spent up to now is 660.4 secs Computing kpt #: 86 total cpu time spent up to now is 666.4 secs Computing kpt #: 87 total cpu time spent up to now is 672.2 secs Computing kpt #: 88 total cpu time spent up to now is 678.0 secs Computing kpt #: 89 total cpu time spent up to now is 683.8 secs Computing kpt #: 90 total cpu time spent up to now is 689.5 secs Computing kpt #: 91 total cpu time spent up to now is 695.2 secs Computing kpt #: 92 total cpu time spent up to now is 700.7 secs Computing kpt #: 93 total cpu time spent up to now is 706.2 secs Computing kpt #: 94 total cpu time spent up to now is 711.4 secs Computing kpt #: 95 total cpu time spent up to now is 716.9 secs Computing kpt #: 96 total cpu time spent up to now is 722.1 secs Computing kpt #: 97 total cpu time spent up to now is 727.3 secs Computing kpt #: 98 total cpu time spent up to now is 732.5 secs Computing kpt #: 99 total cpu time spent up to now is 737.6 secs Computing kpt #: 100 total cpu time spent up to now is 742.8 secs Computing kpt #: 101 total cpu time spent up to now is 747.9 secs Computing kpt #: 102 total cpu time spent up to now is 752.9 secs Computing kpt #: 103 total cpu time spent up to now is 757.9 secs Computing kpt #: 104 total cpu time spent up to now is 763.0 secs Computing kpt #: 105 total cpu time spent up to now is 768.0 secs Computing kpt #: 106 total cpu time spent up to now is 773.1 secs Computing kpt #: 107 total cpu time spent up to now is 778.3 secs Computing kpt #: 108 total cpu time spent up to now is 783.6 secs Computing kpt #: 109 total cpu time spent up to now is 789.0 secs Computing kpt #: 110 total cpu time spent up to now is 794.6 secs Computing kpt #: 111 total cpu time spent up to now is 800.8 secs Computing kpt #: 112 total cpu time spent up to now is 807.0 secs Computing kpt #: 113 total cpu time spent up to now is 814.4 secs Computing kpt #: 114 total cpu time spent up to now is 822.2 secs Computing kpt #: 115 total cpu time spent up to now is 831.7 secs Computing kpt #: 116 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 842.7 secs Computing kpt #: 117 total cpu time spent up to now is 851.3 secs Computing kpt #: 118 total cpu time spent up to now is 858.8 secs Computing kpt #: 119 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 869.6 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 880.3 secs Computing kpt #: 121 total cpu time spent up to now is 890.2 secs Computing kpt #: 122 total cpu time spent up to now is 899.1 secs Computing kpt #: 123 total cpu time spent up to now is 907.9 secs Computing kpt #: 124 total cpu time spent up to now is 915.7 secs Computing kpt #: 125 total cpu time spent up to now is 923.3 secs Computing kpt #: 126 total cpu time spent up to now is 931.0 secs Computing kpt #: 127 total cpu time spent up to now is 937.9 secs Computing kpt #: 128 total cpu time spent up to now is 945.5 secs Computing kpt #: 129 total cpu time spent up to now is 952.2 secs Computing kpt #: 130 total cpu time spent up to now is 958.8 secs Computing kpt #: 131 total cpu time spent up to now is 965.6 secs Computing kpt #: 132 total cpu time spent up to now is 972.0 secs Computing kpt #: 133 total cpu time spent up to now is 978.4 secs Computing kpt #: 134 total cpu time spent up to now is 984.8 secs Computing kpt #: 135 total cpu time spent up to now is 991.2 secs Computing kpt #: 136 total cpu time spent up to now is 997.8 secs Computing kpt #: 137 total cpu time spent up to now is 1003.8 secs Computing kpt #: 138 total cpu time spent up to now is 1009.8 secs Computing kpt #: 139 total cpu time spent up to now is 1015.7 secs Computing kpt #: 140 total cpu time spent up to now is 1021.6 secs Computing kpt #: 141 total cpu time spent up to now is 1027.4 secs Computing kpt #: 142 total cpu time spent up to now is 1033.3 secs Computing kpt #: 143 total cpu time spent up to now is 1038.4 secs Computing kpt #: 144 total cpu time spent up to now is 1043.5 secs Computing kpt #: 145 total cpu time spent up to now is 1048.6 secs Computing kpt #: 146 total cpu time spent up to now is 1053.7 secs Computing kpt #: 147 total cpu time spent up to now is 1058.8 secs Computing kpt #: 148 total cpu time spent up to now is 1063.9 secs Computing kpt #: 149 total cpu time spent up to now is 1069.1 secs Computing kpt #: 150 total cpu time spent up to now is 1074.1 secs Computing kpt #: 151 total cpu time spent up to now is 1079.3 secs Computing kpt #: 152 total cpu time spent up to now is 1084.5 secs Computing kpt #: 153 total cpu time spent up to now is 1089.8 secs Computing kpt #: 154 total cpu time spent up to now is 1095.3 secs Computing kpt #: 155 total cpu time spent up to now is 1100.7 secs Computing kpt #: 156 total cpu time spent up to now is 1106.2 secs Computing kpt #: 157 total cpu time spent up to now is 1112.3 secs Computing kpt #: 158 total cpu time spent up to now is 1117.9 secs Computing kpt #: 159 total cpu time spent up to now is 1124.1 secs Computing kpt #: 160 total cpu time spent up to now is 1130.3 secs Computing kpt #: 161 total cpu time spent up to now is 1136.8 secs Computing kpt #: 162 total cpu time spent up to now is 1143.1 secs Computing kpt #: 163 total cpu time spent up to now is 1149.7 secs Computing kpt #: 164 total cpu time spent up to now is 1155.4 secs Computing kpt #: 165 total cpu time spent up to now is 1160.7 secs Computing kpt #: 166 total cpu time spent up to now is 1166.1 secs Computing kpt #: 167 total cpu time spent up to now is 1171.5 secs Computing kpt #: 168 total cpu time spent up to now is 1177.0 secs Computing kpt #: 169 total cpu time spent up to now is 1182.5 secs Computing kpt #: 170 total cpu time spent up to now is 1187.9 secs Computing kpt #: 171 total cpu time spent up to now is 1193.4 secs Computing kpt #: 172 total cpu time spent up to now is 1198.9 secs Computing kpt #: 173 total cpu time spent up to now is 1205.0 secs Computing kpt #: 174 total cpu time spent up to now is 1211.2 secs Computing kpt #: 175 total cpu time spent up to now is 1217.2 secs Computing kpt #: 176 total cpu time spent up to now is 1223.3 secs Computing kpt #: 177 total cpu time spent up to now is 1229.7 secs Computing kpt #: 178 total cpu time spent up to now is 1236.3 secs Computing kpt #: 179 total cpu time spent up to now is 1243.3 secs Computing kpt #: 180 total cpu time spent up to now is 1250.7 secs Computing kpt #: 181 total cpu time spent up to now is 1258.1 secs Computing kpt #: 182 total cpu time spent up to now is 1265.6 secs Computing kpt #: 183 total cpu time spent up to now is 1274.3 secs Computing kpt #: 184 total cpu time spent up to now is 1283.0 secs Computing kpt #: 185 total cpu time spent up to now is 1292.0 secs Computing kpt #: 186 total cpu time spent up to now is 1300.5 secs ethr = 1.52E-08, avg # of iterations = 47.0 total cpu time spent up to now is 1300.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 41003 PWs) bands (ev): -17.9695 -17.9695 -17.8289 -17.8289 -17.7612 -17.7612 -17.7609 -17.7609 -17.7114 -17.7114 -17.7113 -17.7113 -12.2005 -12.2005 -12.1538 -12.1538 -6.8199 -6.8199 -6.8124 -6.8124 -6.7158 -6.7158 -6.5152 -6.5152 -6.4646 -6.4646 -6.3571 -6.3571 -5.5632 -5.5632 -5.4962 -5.4962 -5.4322 -5.4322 -5.4256 -5.4256 -5.2376 -5.2376 -5.1156 -5.1156 -5.0892 -5.0892 -4.9509 -4.9509 -4.8761 -4.8761 -4.7621 -4.7621 -4.7392 -4.7392 -4.6754 -4.6754 2.1735 2.1735 2.1946 2.1946 2.2319 2.2319 2.2572 2.2572 2.2714 2.2714 2.2828 2.2828 2.8722 2.8722 4.6648 4.6648 4.7886 4.7886 5.1408 5.1408 5.2607 5.2607 5.3181 5.3181 5.7415 5.7415 5.7538 5.7538 k = 0.0238 0.0137-0.0000 ( 40969 PWs) bands (ev): -17.9695 -17.9695 -17.8289 -17.8289 -17.7612 -17.7612 -17.7610 -17.7610 -17.7114 -17.7114 -17.7113 -17.7113 -12.2005 -12.2005 -12.1538 -12.1538 -6.8199 -6.8199 -6.8124 -6.8124 -6.7157 -6.7157 -6.5152 -6.5152 -6.4645 -6.4645 -6.3572 -6.3572 -5.5633 -5.5633 -5.4962 -5.4962 -5.4321 -5.4321 -5.4256 -5.4256 -5.2375 -5.2375 -5.1154 -5.1154 -5.0892 -5.0892 -4.9508 -4.9508 -4.8761 -4.8761 -4.7622 -4.7622 -4.7395 -4.7395 -4.6754 -4.6754 2.1732 2.1732 2.1945 2.1945 2.2316 2.2316 2.2569 2.2569 2.2712 2.2712 2.2826 2.2826 2.8751 2.8751 4.6652 4.6652 4.7818 4.7818 5.1427 5.1427 5.2619 5.2619 5.3185 5.3185 5.7362 5.7362 5.7520 5.7520 k = 0.0476 0.0275-0.0000 ( 40965 PWs) bands (ev): -17.9694 -17.9694 -17.8289 -17.8289 -17.7612 -17.7612 -17.7610 -17.7610 -17.7114 -17.7114 -17.7113 -17.7113 -12.2005 -12.2005 -12.1538 -12.1538 -6.8199 -6.8199 -6.8123 -6.8123 -6.7156 -6.7156 -6.5153 -6.5153 -6.4643 -6.4643 -6.3575 -6.3575 -5.5634 -5.5634 -5.4959 -5.4959 -5.4320 -5.4320 -5.4258 -5.4258 -5.2373 -5.2373 -5.1150 -5.1150 -5.0892 -5.0892 -4.9506 -4.9506 -4.8758 -4.8758 -4.7627 -4.7627 -4.7403 -4.7403 -4.6755 -4.6755 2.1724 2.1724 2.1942 2.1942 2.2307 2.2307 2.2561 2.2561 2.2705 2.2705 2.2820 2.2820 2.8837 2.8837 4.6667 4.6667 4.7626 4.7626 5.1476 5.1476 5.2652 5.2652 5.3197 5.3197 5.7134 5.7134 5.7457 5.7463 k = 0.0714 0.0412-0.0000 ( 40983 PWs) bands (ev): -17.9694 -17.9694 -17.8289 -17.8289 -17.7613 -17.7613 -17.7610 -17.7610 -17.7114 -17.7114 -17.7113 -17.7113 -12.2005 -12.2005 -12.1538 -12.1538 -6.8200 -6.8200 -6.8123 -6.8123 -6.7153 -6.7153 -6.5155 -6.5155 -6.4640 -6.4640 -6.3579 -6.3579 -5.5637 -5.5637 -5.4954 -5.4954 -5.4319 -5.4319 -5.4260 -5.4260 -5.2368 -5.2368 -5.1144 -5.1144 -5.0892 -5.0892 -4.9502 -4.9502 -4.8753 -4.8753 -4.7634 -4.7634 -4.7416 -4.7416 -4.6756 -4.6756 2.1711 2.1711 2.1938 2.1938 2.2293 2.2293 2.2547 2.2547 2.2694 2.2694 2.2811 2.2811 2.8978 2.8978 4.6690 4.6690 4.7330 4.7330 5.1538 5.1538 5.2699 5.2699 5.3217 5.3217 5.6789 5.6789 5.7087 5.7087 k = 0.0952 0.0550-0.0000 ( 40957 PWs) bands (ev): -17.9693 -17.9693 -17.8288 -17.8288 -17.7614 -17.7614 -17.7611 -17.7611 -17.7114 -17.7114 -17.7113 -17.7113 -12.2004 -12.2004 -12.1538 -12.1538 -6.8202 -6.8202 -6.8122 -6.8122 -6.7148 -6.7148 -6.5157 -6.5157 -6.4635 -6.4635 -6.3586 -6.3586 -5.5641 -5.5641 -5.4948 -5.4948 -5.4317 -5.4317 -5.4263 -5.4263 -5.2363 -5.2363 -5.1134 -5.1134 -5.0892 -5.0892 -4.9497 -4.9497 -4.8747 -4.8747 -4.7645 -4.7645 -4.7434 -4.7434 -4.6757 -4.6757 2.1692 2.1692 2.1932 2.1932 2.2273 2.2273 2.2529 2.2529 2.2681 2.2681 2.2800 2.2800 2.9172 2.9172 4.6712 4.6712 4.6967 4.6967 5.1598 5.1598 5.2746 5.2746 5.3245 5.3245 5.6398 5.6398 5.6711 5.6711 k = 0.1190 0.0687-0.0000 ( 40929 PWs) bands (ev): -17.9691 -17.9691 -17.8288 -17.8288 -17.7615 -17.7615 -17.7611 -17.7611 -17.7114 -17.7114 -17.7113 -17.7113 -12.2004 -12.2004 -12.1538 -12.1538 -6.8203 -6.8203 -6.8122 -6.8122 -6.7143 -6.7143 -6.5160 -6.5160 -6.4629 -6.4629 -6.3594 -6.3594 -5.5645 -5.5645 -5.4941 -5.4941 -5.4316 -5.4316 -5.4265 -5.4265 -5.2355 -5.2355 -5.1123 -5.1123 -5.0892 -5.0892 -4.9489 -4.9489 -4.8739 -4.8739 -4.7660 -4.7660 -4.7456 -4.7456 -4.6759 -4.6759 2.1669 2.1669 2.1924 2.1924 2.2248 2.2248 2.2507 2.2507 2.2666 2.2666 2.2787 2.2787 2.9416 2.9416 4.6489 4.6489 4.6801 4.6801 5.1649 5.1649 5.2769 5.2769 5.3278 5.3278 5.6014 5.6014 5.6350 5.6350 k = 0.1429 0.0825-0.0000 ( 40925 PWs) bands (ev): -17.9690 -17.9690 -17.8287 -17.8287 -17.7616 -17.7616 -17.7612 -17.7612 -17.7113 -17.7113 -17.7113 -17.7113 -12.2004 -12.2004 -12.1537 -12.1537 -6.8205 -6.8205 -6.8121 -6.8121 -6.7137 -6.7137 -6.5164 -6.5164 -6.4621 -6.4621 -6.3604 -6.3604 -5.5651 -5.5651 -5.4932 -5.4932 -5.4317 -5.4317 -5.4266 -5.4266 -5.2347 -5.2347 -5.1110 -5.1110 -5.0892 -5.0892 -4.9481 -4.9481 -4.8730 -4.8730 -4.7678 -4.7678 -4.7480 -4.7480 -4.6761 -4.6761 2.1640 2.1640 2.1914 2.1914 2.2219 2.2219 2.2482 2.2482 2.2647 2.2647 2.2774 2.2774 2.9705 2.9705 4.6021 4.6021 4.6850 4.6850 5.1690 5.1690 5.2741 5.2741 5.3317 5.3317 5.5675 5.5675 5.6014 5.6014 k = 0.1667 0.0962-0.0000 ( 40887 PWs) bands (ev): -17.9688 -17.9688 -17.8287 -17.8287 -17.7618 -17.7618 -17.7613 -17.7613 -17.7113 -17.7113 -17.7113 -17.7113 -12.2004 -12.2004 -12.1537 -12.1537 -6.8207 -6.8207 -6.8120 -6.8120 -6.7130 -6.7130 -6.5168 -6.5168 -6.4613 -6.4613 -6.3615 -6.3615 -5.5657 -5.5657 -5.4922 -5.4922 -5.4319 -5.4319 -5.4265 -5.4265 -5.2337 -5.2337 -5.1095 -5.1095 -5.0892 -5.0892 -4.9471 -4.9471 -4.8720 -4.8720 -4.7700 -4.7700 -4.7506 -4.7506 -4.6763 -4.6763 2.1607 2.1607 2.1902 2.1902 2.2189 2.2189 2.2456 2.2456 2.2626 2.2626 2.2762 2.2762 3.0037 3.0037 4.5512 4.5512 4.6920 4.6920 5.1719 5.1719 5.2646 5.2646 5.3358 5.3358 5.5402 5.5402 5.5712 5.5712 k = 0.1905 0.1100-0.0000 ( 40905 PWs) bands (ev): -17.9687 -17.9687 -17.8286 -17.8286 -17.7620 -17.7620 -17.7613 -17.7613 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1537 -12.1537 -6.8209 -6.8209 -6.8119 -6.8119 -6.7123 -6.7123 -6.5172 -6.5172 -6.4604 -6.4604 -6.3628 -6.3628 -5.5663 -5.5663 -5.4910 -5.4910 -5.4324 -5.4324 -5.4262 -5.4262 -5.2327 -5.2327 -5.1078 -5.1078 -5.0892 -5.0892 -4.9460 -4.9460 -4.8709 -4.8709 -4.7726 -4.7726 -4.7533 -4.7533 -4.6766 -4.6766 2.1570 2.1570 2.1889 2.1889 2.2157 2.2157 2.2428 2.2428 2.2603 2.2603 2.2751 2.2751 3.0407 3.0407 4.4978 4.4978 4.7002 4.7002 5.1726 5.1726 5.2493 5.2493 5.3400 5.3400 5.5182 5.5182 5.5470 5.5470 k = 0.2143 0.1237-0.0000 ( 40927 PWs) bands (ev): -17.9685 -17.9685 -17.8286 -17.8286 -17.7622 -17.7622 -17.7614 -17.7614 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1536 -12.1536 -6.8211 -6.8211 -6.8118 -6.8118 -6.7115 -6.7115 -6.5177 -6.5177 -6.4593 -6.4593 -6.3642 -6.3642 -5.5671 -5.5671 -5.4899 -5.4899 -5.4331 -5.4331 -5.4257 -5.4257 -5.2315 -5.2315 -5.1061 -5.1061 -5.0891 -5.0891 -4.9448 -4.9448 -4.8697 -4.8697 -4.7757 -4.7757 -4.7559 -4.7559 -4.6769 -4.6769 2.1532 2.1532 2.1873 2.1873 2.2126 2.2126 2.2399 2.2399 2.2578 2.2578 2.2742 2.2742 3.0812 3.0812 4.4427 4.4427 4.7096 4.7096 5.1669 5.1669 5.2344 5.2344 5.3438 5.3438 5.4976 5.4976 5.5316 5.5316 k = 0.2381 0.1375-0.0000 ( 40959 PWs) bands (ev): -17.9683 -17.9683 -17.8285 -17.8285 -17.7624 -17.7624 -17.7615 -17.7615 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1536 -12.1536 -6.8213 -6.8213 -6.8117 -6.8117 -6.7107 -6.7107 -6.5182 -6.5182 -6.4582 -6.4582 -6.3657 -6.3657 -5.5678 -5.5678 -5.4886 -5.4886 -5.4340 -5.4340 -5.4250 -5.4250 -5.2303 -5.2303 -5.1044 -5.1044 -5.0890 -5.0890 -4.9434 -4.9434 -4.8684 -4.8684 -4.7793 -4.7793 -4.7583 -4.7583 -4.6772 -4.6772 2.1492 2.1492 2.1856 2.1856 2.2097 2.2097 2.2370 2.2370 2.2552 2.2552 2.2735 2.2735 3.1249 3.1249 4.3863 4.3863 4.7199 4.7199 5.1492 5.1492 5.2285 5.2285 5.3466 5.3466 5.4773 5.4773 5.5241 5.5241 k = 0.2619 0.1512-0.0000 ( 40955 PWs) bands (ev): -17.9681 -17.9681 -17.8285 -17.8285 -17.7626 -17.7626 -17.7616 -17.7616 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1535 -12.1535 -6.8215 -6.8215 -6.8116 -6.8116 -6.7098 -6.7098 -6.5186 -6.5186 -6.4570 -6.4570 -6.3672 -6.3672 -5.5685 -5.5685 -5.4874 -5.4874 -5.4349 -5.4349 -5.4243 -5.4243 -5.2291 -5.2291 -5.1028 -5.1028 -5.0887 -5.0887 -4.9421 -4.9421 -4.8671 -4.8671 -4.7832 -4.7832 -4.7606 -4.7606 -4.6776 -4.6776 2.1452 2.1452 2.1836 2.1836 2.2070 2.2070 2.2341 2.2341 2.2526 2.2526 2.2728 2.2728 3.1714 3.1714 4.3291 4.3291 4.7308 4.7308 5.1215 5.1215 5.2326 5.2326 5.3479 5.3479 5.4595 5.4595 5.5207 5.5207 k = 0.2857 0.1650-0.0000 ( 40921 PWs) bands (ev): -17.9679 -17.9679 -17.8284 -17.8284 -17.7628 -17.7628 -17.7616 -17.7616 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1535 -12.1535 -6.8217 -6.8217 -6.8115 -6.8115 -6.7090 -6.7090 -6.5191 -6.5191 -6.4558 -6.4558 -6.3688 -6.3688 -5.5692 -5.5692 -5.4861 -5.4861 -5.4359 -5.4359 -5.4236 -5.4236 -5.2279 -5.2279 -5.1014 -5.1014 -5.0883 -5.0883 -4.9406 -4.9406 -4.8658 -4.8658 -4.7873 -4.7873 -4.7626 -4.7626 -4.6779 -4.6779 2.1413 2.1413 2.1815 2.1815 2.2046 2.2046 2.2312 2.2312 2.2502 2.2502 2.2723 2.2723 3.2204 3.2204 4.2712 4.2712 4.7422 4.7422 5.0898 5.0898 5.2428 5.2428 5.3468 5.3468 5.4457 5.4457 5.5189 5.5189 k = 0.3095 0.1787-0.0000 ( 40933 PWs) bands (ev): -17.9677 -17.9677 -17.8283 -17.8283 -17.7631 -17.7631 -17.7617 -17.7617 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1535 -12.1535 -6.8218 -6.8218 -6.8113 -6.8113 -6.7083 -6.7083 -6.5196 -6.5196 -6.4546 -6.4546 -6.3703 -6.3703 -5.5699 -5.5699 -5.4849 -5.4849 -5.4368 -5.4368 -5.4228 -5.4228 -5.2268 -5.2268 -5.1002 -5.1002 -5.0877 -5.0877 -4.9392 -4.9392 -4.8646 -4.8646 -4.7915 -4.7915 -4.7644 -4.7644 -4.6782 -4.6782 2.1375 2.1375 2.1792 2.1792 2.2024 2.2024 2.2284 2.2284 2.2479 2.2479 2.2719 2.2719 3.2717 3.2717 4.2128 4.2128 4.7535 4.7535 5.0577 5.0577 5.2572 5.2572 5.3430 5.3430 5.4367 5.4367 5.5174 5.5174 k = 0.3333 0.1925-0.0000 ( 40949 PWs) bands (ev): -17.9675 -17.9675 -17.8283 -17.8283 -17.7633 -17.7633 -17.7618 -17.7618 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1534 -12.1534 -6.8220 -6.8220 -6.8112 -6.8112 -6.7075 -6.7075 -6.5200 -6.5200 -6.4534 -6.4534 -6.3719 -6.3719 -5.5706 -5.5706 -5.4837 -5.4837 -5.4377 -5.4377 -5.4221 -5.4221 -5.2257 -5.2257 -5.0993 -5.0993 -5.0869 -5.0869 -4.9377 -4.9377 -4.8634 -4.8634 -4.7957 -4.7957 -4.7660 -4.7660 -4.6786 -4.6786 2.1341 2.1341 2.1769 2.1769 2.2005 2.2005 2.2258 2.2258 2.2459 2.2459 2.2715 2.2715 3.3248 3.3248 4.1540 4.1540 4.7645 4.7645 5.0270 5.0270 5.2748 5.2748 5.3371 5.3371 5.4321 5.4321 5.5157 5.5157 k = 0.3571 0.2062-0.0000 ( 40939 PWs) bands (ev): -17.9674 -17.9674 -17.8282 -17.8282 -17.7634 -17.7634 -17.7618 -17.7618 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1534 -12.1534 -6.8222 -6.8222 -6.8111 -6.8111 -6.7069 -6.7069 -6.5205 -6.5205 -6.4523 -6.4523 -6.3733 -6.3733 -5.5712 -5.5712 -5.4827 -5.4827 -5.4386 -5.4386 -5.4214 -5.4214 -5.2246 -5.2246 -5.0987 -5.0987 -5.0859 -5.0859 -4.9364 -4.9364 -4.8623 -4.8623 -4.7997 -4.7997 -4.7674 -4.7674 -4.6789 -4.6789 2.1310 2.1310 2.1746 2.1746 2.1988 2.1988 2.2234 2.2234 2.2442 2.2442 2.2712 2.2712 3.3797 3.3797 4.0950 4.0950 4.7748 4.7748 4.9989 4.9989 5.2943 5.2943 5.3311 5.3311 5.4308 5.4308 5.5135 5.5135 k = 0.3810 0.2199-0.0000 ( 40943 PWs) bands (ev): -17.9672 -17.9672 -17.8282 -17.8282 -17.7636 -17.7636 -17.7619 -17.7619 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1533 -12.1533 -6.8223 -6.8223 -6.8110 -6.8110 -6.7063 -6.7063 -6.5208 -6.5208 -6.4512 -6.4512 -6.3747 -6.3747 -5.5717 -5.5717 -5.4817 -5.4817 -5.4394 -5.4394 -5.4208 -5.4208 -5.2237 -5.2237 -5.0983 -5.0983 -5.0848 -5.0848 -4.9351 -4.9351 -4.8613 -4.8613 -4.8034 -4.8034 -4.7686 -4.7686 -4.6791 -4.6791 2.1284 2.1284 2.1725 2.1725 2.1973 2.1973 2.2213 2.2213 2.2427 2.2427 2.2709 2.2709 3.4358 3.4358 4.0358 4.0358 4.7842 4.7842 4.9740 4.9740 5.3083 5.3083 5.3333 5.3333 5.4314 5.4314 5.5110 5.5110 k = 0.4048 0.2337-0.0000 ( 40941 PWs) bands (ev): -17.9671 -17.9671 -17.8281 -17.8281 -17.7637 -17.7637 -17.7619 -17.7619 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1533 -12.1533 -6.8224 -6.8224 -6.8110 -6.8110 -6.7058 -6.7058 -6.5211 -6.5211 -6.4503 -6.4503 -6.3758 -6.3758 -5.5722 -5.5722 -5.4809 -5.4809 -5.4400 -5.4400 -5.4203 -5.4203 -5.2229 -5.2229 -5.0981 -5.0981 -5.0837 -5.0837 -4.9340 -4.9340 -4.8604 -4.8604 -4.8066 -4.8066 -4.7696 -4.7696 -4.6794 -4.6794 2.1261 2.1261 2.1706 2.1706 2.1961 2.1961 2.2196 2.2196 2.2415 2.2415 2.2707 2.2707 3.4930 3.4930 3.9764 3.9764 4.7922 4.7922 4.9530 4.9530 5.3071 5.3071 5.3541 5.3541 5.4329 5.4329 5.5084 5.5084 k = 0.4286 0.2474-0.0000 ( 40933 PWs) bands (ev): -17.9670 -17.9670 -17.8281 -17.8281 -17.7638 -17.7638 -17.7619 -17.7619 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1533 -12.1533 -6.8225 -6.8225 -6.8109 -6.8109 -6.7054 -6.7054 -6.5214 -6.5214 -6.4495 -6.4495 -6.3768 -6.3768 -5.5726 -5.5726 -5.4802 -5.4802 -5.4406 -5.4406 -5.4199 -5.4199 -5.2223 -5.2223 -5.0980 -5.0980 -5.0828 -5.0828 -4.9330 -4.9330 -4.8597 -4.8597 -4.8093 -4.8093 -4.7704 -4.7704 -4.6796 -4.6796 2.1244 2.1244 2.1690 2.1690 2.1952 2.1952 2.2182 2.2182 2.2406 2.2406 2.2705 2.2705 3.5508 3.5508 3.9172 3.9172 4.7987 4.7987 4.9362 4.9362 5.3022 5.3022 5.3817 5.3817 5.4348 5.4348 5.5060 5.5060 k = 0.4524 0.2612-0.0000 ( 40961 PWs) bands (ev): -17.9669 -17.9669 -17.8281 -17.8281 -17.7639 -17.7639 -17.7620 -17.7620 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1533 -12.1533 -6.8225 -6.8225 -6.8109 -6.8109 -6.7051 -6.7051 -6.5216 -6.5216 -6.4489 -6.4489 -6.3775 -6.3775 -5.5728 -5.5728 -5.4797 -5.4797 -5.4410 -5.4410 -5.4196 -5.4196 -5.2218 -5.2218 -5.0980 -5.0980 -5.0821 -5.0821 -4.9323 -4.9323 -4.8592 -4.8592 -4.8113 -4.8113 -4.7710 -4.7710 -4.6797 -4.6797 2.1231 2.1231 2.1678 2.1678 2.1945 2.1945 2.2173 2.2173 2.2400 2.2400 2.2704 2.2704 3.6085 3.6085 3.8586 3.8586 4.8034 4.8034 4.9240 4.9240 5.2980 5.2980 5.4105 5.4105 5.4370 5.4370 5.5040 5.5040 k = 0.4762 0.2749-0.0000 ( 40932 PWs) bands (ev): -17.9669 -17.9669 -17.8281 -17.8281 -17.7640 -17.7640 -17.7620 -17.7620 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1533 -12.1533 -6.8226 -6.8226 -6.8108 -6.8108 -6.7049 -6.7049 -6.5217 -6.5217 -6.4486 -6.4486 -6.3780 -6.3780 -5.5730 -5.5730 -5.4794 -5.4794 -5.4412 -5.4412 -5.4194 -5.4194 -5.2215 -5.2215 -5.0980 -5.0980 -5.0817 -5.0817 -4.9319 -4.9319 -4.8588 -4.8588 -4.8125 -4.8125 -4.7713 -4.7713 -4.6798 -4.6798 2.1223 2.1223 2.1671 2.1671 2.1940 2.1940 2.2167 2.2167 2.2396 2.2396 2.2704 2.2704 3.6640 3.6640 3.8027 3.8027 4.8064 4.8064 4.9165 4.9165 5.2953 5.2953 5.4317 5.4317 5.4435 5.4435 5.5027 5.5027 k = 0.5000 0.2887-0.0000 ( 40940 PWs) bands (ev): -17.9669 -17.9669 -17.8281 -17.8281 -17.7640 -17.7640 -17.7620 -17.7620 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1533 -12.1533 -6.8226 -6.8226 -6.8108 -6.8108 -6.7048 -6.7048 -6.5217 -6.5217 -6.4484 -6.4484 -6.3781 -6.3781 -5.5731 -5.5731 -5.4793 -5.4793 -5.4413 -5.4413 -5.4194 -5.4194 -5.2215 -5.2215 -5.0980 -5.0980 -5.0815 -5.0815 -4.9318 -4.9318 -4.8587 -4.8587 -4.8129 -4.8129 -4.7714 -4.7714 -4.6798 -4.6798 2.1221 2.1221 2.1669 2.1669 2.1939 2.1939 2.2165 2.2165 2.2394 2.2394 2.2703 2.2703 3.6989 3.6989 3.7677 3.7677 4.8074 4.8074 4.9140 4.9140 5.2944 5.2944 5.4349 5.4349 5.4537 5.4537 5.5022 5.5022 k = 0.5000 0.2887-0.0000 ( 40940 PWs) bands (ev): -17.9669 -17.9669 -17.8281 -17.8281 -17.7640 -17.7640 -17.7620 -17.7620 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1533 -12.1533 -6.8226 -6.8226 -6.8108 -6.8108 -6.7048 -6.7048 -6.5217 -6.5217 -6.4484 -6.4484 -6.3781 -6.3781 -5.5731 -5.5731 -5.4793 -5.4793 -5.4413 -5.4413 -5.4194 -5.4194 -5.2215 -5.2215 -5.0980 -5.0980 -5.0815 -5.0815 -4.9318 -4.9318 -4.8587 -4.8587 -4.8129 -4.8129 -4.7714 -4.7714 -4.6798 -4.6798 2.1221 2.1221 2.1669 2.1669 2.1939 2.1939 2.2165 2.2165 2.2394 2.2394 2.2703 2.2703 3.6989 3.6989 3.7677 3.7677 4.8074 4.8074 4.9140 4.9140 5.2944 5.2944 5.4349 5.4349 5.4537 5.4537 5.5022 5.5022 k = 0.4861 0.3127-0.0000 ( 40940 PWs) bands (ev): -17.9669 -17.9669 -17.8281 -17.8281 -17.7640 -17.7640 -17.7620 -17.7620 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1533 -12.1533 -6.8226 -6.8226 -6.8108 -6.8108 -6.7048 -6.7048 -6.5217 -6.5217 -6.4484 -6.4484 -6.3782 -6.3782 -5.5731 -5.5731 -5.4793 -5.4793 -5.4412 -5.4412 -5.4194 -5.4194 -5.2214 -5.2214 -5.0979 -5.0979 -5.0815 -5.0815 -4.9318 -4.9318 -4.8587 -4.8587 -4.8128 -4.8128 -4.7717 -4.7717 -4.6798 -4.6798 2.1221 2.1221 2.1669 2.1669 2.1937 2.1937 2.2165 2.2165 2.2394 2.2394 2.2698 2.2698 3.7014 3.7014 3.7685 3.7685 4.7924 4.7924 4.9201 4.9201 5.2950 5.2950 5.4342 5.4342 5.4494 5.4494 5.5163 5.5163 k = 0.4722 0.3368-0.0000 ( 40946 PWs) bands (ev): -17.9668 -17.9668 -17.8281 -17.8281 -17.7640 -17.7640 -17.7620 -17.7620 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1533 -12.1533 -6.8226 -6.8226 -6.8108 -6.8108 -6.7047 -6.7047 -6.5218 -6.5218 -6.4483 -6.4483 -6.3783 -6.3783 -5.5731 -5.5731 -5.4793 -5.4793 -5.4410 -5.4410 -5.4195 -5.4195 -5.2213 -5.2213 -5.0976 -5.0976 -5.0816 -5.0816 -4.9318 -4.9318 -4.8586 -4.8586 -4.8125 -4.8125 -4.7724 -4.7724 -4.6796 -4.6796 2.1224 2.1224 2.1671 2.1671 2.1933 2.1933 2.2166 2.2166 2.2391 2.2391 2.2684 2.2684 3.7088 3.7088 3.7709 3.7709 4.7553 4.7553 4.9321 4.9321 5.2970 5.2970 5.4324 5.4324 5.4433 5.4433 5.5418 5.5418 k = 0.4583 0.3608-0.0000 ( 40940 PWs) bands (ev): -17.9668 -17.9668 -17.8281 -17.8281 -17.7639 -17.7639 -17.7621 -17.7621 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1533 -12.1533 -6.8226 -6.8226 -6.8108 -6.8108 -6.7046 -6.7046 -6.5218 -6.5218 -6.4482 -6.4482 -6.3785 -6.3785 -5.5732 -5.5732 -5.4793 -5.4793 -5.4407 -5.4407 -5.4198 -5.4198 -5.2212 -5.2212 -5.0971 -5.0971 -5.0818 -5.0818 -4.9319 -4.9319 -4.8585 -4.8585 -4.8120 -4.8120 -4.7737 -4.7737 -4.6795 -4.6795 2.1228 2.1228 2.1674 2.1674 2.1926 2.1926 2.2168 2.2168 2.2388 2.2388 2.2661 2.2661 3.7208 3.7208 3.7750 3.7750 4.7056 4.7056 4.9432 4.9432 5.3001 5.3001 5.4289 5.4289 5.4402 5.4402 5.5399 5.5399 k = 0.4444 0.3849-0.0000 ( 40950 PWs) bands (ev): -17.9668 -17.9668 -17.8280 -17.8280 -17.7639 -17.7639 -17.7622 -17.7622 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1533 -12.1533 -6.8226 -6.8226 -6.8108 -6.8108 -6.7044 -6.7044 -6.5219 -6.5219 -6.4481 -6.4481 -6.3788 -6.3788 -5.5733 -5.5733 -5.4792 -5.4792 -5.4403 -5.4403 -5.4201 -5.4201 -5.2210 -5.2210 -5.0965 -5.0965 -5.0820 -5.0820 -4.9320 -4.9320 -4.8584 -4.8584 -4.8113 -4.8113 -4.7753 -4.7753 -4.6792 -4.6792 2.1234 2.1234 2.1679 2.1679 2.1915 2.1915 2.2170 2.2170 2.2383 2.2383 2.2631 2.2631 3.7369 3.7369 3.7812 3.7812 4.6485 4.6485 4.9520 4.9520 5.3043 5.3043 5.4229 5.4229 5.4411 5.4411 5.5372 5.5372 k = 0.4306 0.4090-0.0000 ( 40964 PWs) bands (ev): -17.9667 -17.9667 -17.8280 -17.8280 -17.7639 -17.7639 -17.7623 -17.7623 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1532 -12.1532 -6.8226 -6.8226 -6.8108 -6.8108 -6.7042 -6.7042 -6.5220 -6.5220 -6.4479 -6.4479 -6.3791 -6.3791 -5.5735 -5.5735 -5.4792 -5.4792 -5.4398 -5.4398 -5.4204 -5.4204 -5.2208 -5.2208 -5.0957 -5.0957 -5.0823 -5.0823 -4.9321 -4.9321 -4.8582 -4.8582 -4.8104 -4.8104 -4.7773 -4.7773 -4.6790 -4.6790 2.1241 2.1241 2.1684 2.1684 2.1902 2.1902 2.2174 2.2174 2.2378 2.2378 2.2596 2.2596 3.7558 3.7558 3.7901 3.7901 4.5871 4.5871 4.9589 4.9589 5.3095 5.3095 5.4153 5.4153 5.4448 5.4448 5.5339 5.5339 k = 0.4167 0.4330-0.0000 ( 40954 PWs) bands (ev): -17.9667 -17.9667 -17.8280 -17.8280 -17.7638 -17.7638 -17.7624 -17.7624 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1532 -12.1532 -6.8226 -6.8226 -6.8108 -6.8108 -6.7039 -6.7039 -6.5221 -6.5221 -6.4477 -6.4477 -6.3794 -6.3794 -5.5736 -5.5736 -5.4792 -5.4792 -5.4393 -5.4393 -5.4208 -5.4208 -5.2205 -5.2205 -5.0948 -5.0948 -5.0826 -5.0826 -4.9322 -4.9322 -4.8580 -4.8580 -4.8095 -4.8095 -4.7795 -4.7795 -4.6787 -4.6787 2.1249 2.1249 2.1690 2.1690 2.1885 2.1885 2.2178 2.2178 2.2371 2.2371 2.2560 2.2560 3.7748 3.7748 3.8038 3.8038 4.5235 4.5235 4.9643 4.9643 5.3155 5.3155 5.4068 5.4068 5.4501 5.4501 5.5300 5.5300 k = 0.4028 0.4571-0.0000 ( 40950 PWs) bands (ev): -17.9667 -17.9667 -17.8280 -17.8280 -17.7637 -17.7637 -17.7626 -17.7626 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1532 -12.1532 -6.8227 -6.8227 -6.8108 -6.8108 -6.7037 -6.7037 -6.5222 -6.5222 -6.4474 -6.4474 -6.3798 -6.3798 -5.5738 -5.5738 -5.4791 -5.4791 -5.4388 -5.4388 -5.4212 -5.4212 -5.2203 -5.2203 -5.0940 -5.0940 -5.0829 -5.0829 -4.9323 -4.9323 -4.8578 -4.8578 -4.8084 -4.8084 -4.7818 -4.7818 -4.6784 -4.6784 2.1257 2.1257 2.1698 2.1698 2.1866 2.1866 2.2184 2.2184 2.2363 2.2363 2.2526 2.2526 3.7912 3.7912 3.8242 3.8242 4.4599 4.4599 4.9686 4.9686 5.3221 5.3221 5.3977 5.3977 5.4566 5.4566 5.5256 5.5256 k = 0.3889 0.4811-0.0000 ( 40940 PWs) bands (ev): -17.9666 -17.9666 -17.8280 -17.8280 -17.7637 -17.7637 -17.7627 -17.7627 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1532 -12.1532 -6.8227 -6.8227 -6.8108 -6.8108 -6.7034 -6.7034 -6.5224 -6.5224 -6.4472 -6.4472 -6.3802 -6.3802 -5.5739 -5.5739 -5.4791 -5.4791 -5.4383 -5.4383 -5.4215 -5.4215 -5.2200 -5.2200 -5.0931 -5.0931 -5.0832 -5.0832 -4.9323 -4.9323 -4.8576 -4.8576 -4.8073 -4.8073 -4.7842 -4.7842 -4.6782 -4.6782 2.1265 2.1265 2.1706 2.1706 2.1845 2.1845 2.2190 2.2190 2.2353 2.2353 2.2495 2.2495 3.8055 3.8055 3.8491 3.8491 4.3982 4.3982 4.9722 4.9722 5.3291 5.3291 5.3886 5.3886 5.4638 5.4638 5.5208 5.5208 k = 0.3750 0.5052-0.0000 ( 40930 PWs) bands (ev): -17.9666 -17.9666 -17.8280 -17.8280 -17.7636 -17.7636 -17.7628 -17.7628 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1532 -12.1532 -6.8227 -6.8227 -6.8108 -6.8108 -6.7032 -6.7032 -6.5225 -6.5225 -6.4470 -6.4470 -6.3805 -6.3805 -5.5741 -5.5741 -5.4790 -5.4790 -5.4379 -5.4379 -5.4218 -5.4218 -5.2198 -5.2198 -5.0924 -5.0924 -5.0835 -5.0835 -4.9324 -4.9324 -4.8575 -4.8575 -4.8062 -4.8062 -4.7864 -4.7864 -4.6781 -4.6781 2.1272 2.1272 2.1714 2.1714 2.1825 2.1825 2.2197 2.2197 2.2341 2.2341 2.2472 2.2472 3.8196 3.8196 3.8742 3.8742 4.3414 4.3414 4.9752 4.9752 5.3361 5.3361 5.3797 5.3797 5.4712 5.4712 5.5156 5.5156 k = 0.3611 0.5292-0.0000 ( 40932 PWs) bands (ev): -17.9666 -17.9666 -17.8280 -17.8280 -17.7635 -17.7635 -17.7630 -17.7630 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1532 -12.1532 -6.8227 -6.8227 -6.8108 -6.8108 -6.7031 -6.7031 -6.5225 -6.5225 -6.4468 -6.4468 -6.3808 -6.3808 -5.5742 -5.5742 -5.4789 -5.4789 -5.4376 -5.4376 -5.4220 -5.4220 -5.2196 -5.2196 -5.0918 -5.0918 -5.0837 -5.0837 -4.9324 -4.9324 -4.8573 -4.8573 -4.8053 -4.8053 -4.7882 -4.7882 -4.6779 -4.6779 2.1277 2.1277 2.1721 2.1721 2.1807 2.1807 2.2203 2.2203 2.2328 2.2328 2.2457 2.2457 3.8342 3.8342 3.8947 3.8947 4.2936 4.2936 4.9775 4.9775 5.3430 5.3430 5.3714 5.3714 5.4784 5.4784 5.5104 5.5104 k = 0.3472 0.5533-0.0000 ( 40934 PWs) bands (ev): -17.9665 -17.9665 -17.8280 -17.8280 -17.7634 -17.7634 -17.7631 -17.7631 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1532 -12.1532 -6.8227 -6.8227 -6.8108 -6.8108 -6.7030 -6.7030 -6.5226 -6.5226 -6.4466 -6.4466 -6.3810 -6.3810 -5.5743 -5.5743 -5.4789 -5.4789 -5.4375 -5.4375 -5.4221 -5.4221 -5.2195 -5.2195 -5.0914 -5.0914 -5.0838 -5.0838 -4.9324 -4.9324 -4.8572 -4.8572 -4.8047 -4.8047 -4.7894 -4.7894 -4.6779 -4.6779 2.1281 2.1281 2.1726 2.1726 2.1795 2.1795 2.2208 2.2208 2.2318 2.2318 2.2449 2.2449 3.8485 3.8485 3.9056 3.9056 4.2609 4.2609 4.9791 4.9791 5.3493 5.3493 5.3642 5.3642 5.4846 5.4846 5.5055 5.5055 k = 0.3333 0.5774-0.0000 ( 40962 PWs) bands (ev): -17.9665 -17.9665 -17.8280 -17.8280 -17.7634 -17.7634 -17.7631 -17.7631 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1532 -12.1532 -6.8227 -6.8227 -6.8108 -6.8108 -6.7029 -6.7029 -6.5226 -6.5226 -6.4466 -6.4466 -6.3811 -6.3811 -5.5743 -5.5743 -5.4789 -5.4789 -5.4374 -5.4374 -5.4222 -5.4222 -5.2195 -5.2195 -5.0913 -5.0913 -5.0838 -5.0838 -4.9324 -4.9324 -4.8572 -4.8572 -4.8045 -4.8045 -4.7898 -4.7898 -4.6779 -4.6779 2.1282 2.1282 2.1727 2.1727 2.1790 2.1790 2.2210 2.2210 2.2314 2.2314 2.2446 2.2446 3.8567 3.8567 3.9063 3.9063 4.2494 4.2494 4.9796 4.9796 5.3528 5.3528 5.3604 5.3604 5.4875 5.4875 5.5031 5.5031 k = 0.3333 0.5774-0.0000 ( 40962 PWs) bands (ev): -17.9665 -17.9665 -17.8280 -17.8280 -17.7634 -17.7634 -17.7631 -17.7631 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1532 -12.1532 -6.8227 -6.8227 -6.8108 -6.8108 -6.7029 -6.7029 -6.5226 -6.5226 -6.4466 -6.4466 -6.3811 -6.3811 -5.5743 -5.5743 -5.4789 -5.4789 -5.4374 -5.4374 -5.4222 -5.4222 -5.2195 -5.2195 -5.0913 -5.0913 -5.0838 -5.0838 -4.9324 -4.9324 -4.8572 -4.8572 -4.8045 -4.8045 -4.7898 -4.7898 -4.6779 -4.6779 2.1282 2.1282 2.1727 2.1727 2.1790 2.1790 2.2210 2.2210 2.2314 2.2314 2.2446 2.2446 3.8567 3.8567 3.9063 3.9063 4.2494 4.2494 4.9796 4.9796 5.3528 5.3528 5.3604 5.3604 5.4875 5.4875 5.5031 5.5031 k = 0.3194 0.5533-0.0000 ( 40972 PWs) bands (ev): -17.9665 -17.9665 -17.8280 -17.8280 -17.7634 -17.7634 -17.7631 -17.7631 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1532 -12.1532 -6.8227 -6.8227 -6.8108 -6.8108 -6.7030 -6.7030 -6.5226 -6.5226 -6.4467 -6.4467 -6.3810 -6.3810 -5.5743 -5.5743 -5.4789 -5.4789 -5.4374 -5.4374 -5.4221 -5.4221 -5.2195 -5.2195 -5.0914 -5.0914 -5.0838 -5.0838 -4.9324 -4.9324 -4.8572 -4.8572 -4.8046 -4.8046 -4.7894 -4.7894 -4.6779 -4.6779 2.1281 2.1281 2.1727 2.1727 2.1794 2.1794 2.2209 2.2209 2.2318 2.2318 2.2448 2.2448 3.8420 3.8420 3.9129 3.9129 4.2600 4.2600 4.9790 4.9790 5.3501 5.3501 5.3634 5.3634 5.4846 5.4846 5.5054 5.5054 k = 0.3056 0.5292-0.0000 ( 40956 PWs) bands (ev): -17.9666 -17.9666 -17.8280 -17.8280 -17.7635 -17.7635 -17.7630 -17.7630 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1532 -12.1532 -6.8227 -6.8227 -6.8108 -6.8108 -6.7031 -6.7031 -6.5225 -6.5225 -6.4468 -6.4468 -6.3808 -6.3808 -5.5742 -5.5742 -5.4790 -5.4790 -5.4376 -5.4376 -5.4221 -5.4221 -5.2197 -5.2197 -5.0917 -5.0917 -5.0838 -5.0838 -4.9324 -4.9324 -4.8574 -4.8574 -4.8049 -4.8049 -4.7883 -4.7883 -4.6779 -4.6779 2.1278 2.1278 2.1727 2.1727 2.1803 2.1803 2.2206 2.2206 2.2329 2.2329 2.2453 2.2453 3.8030 3.8030 3.9315 3.9315 4.2878 4.2878 4.9769 4.9769 5.3468 5.3468 5.3677 5.3677 5.4781 5.4781 5.5100 5.5100 k = 0.2917 0.5052-0.0000 ( 40948 PWs) bands (ev): -17.9666 -17.9666 -17.8280 -17.8280 -17.7635 -17.7635 -17.7629 -17.7629 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1532 -12.1532 -6.8227 -6.8227 -6.8108 -6.8108 -6.7033 -6.7033 -6.5224 -6.5224 -6.4472 -6.4472 -6.3803 -6.3803 -5.5740 -5.5740 -5.4791 -5.4791 -5.4377 -5.4377 -5.4220 -5.4220 -5.2199 -5.2199 -5.0920 -5.0920 -5.0840 -5.0840 -4.9326 -4.9326 -4.8576 -4.8576 -4.8050 -4.8050 -4.7868 -4.7868 -4.6780 -4.6780 2.1276 2.1276 2.1730 2.1730 2.1815 2.1815 2.2205 2.2205 2.2345 2.2345 2.2461 2.2461 3.7516 3.7516 3.9558 3.9558 4.3268 4.3268 4.9732 4.9732 5.3449 5.3449 5.3713 5.3713 5.4702 5.4702 5.5146 5.5146 k = 0.2778 0.4811-0.0000 ( 40968 PWs) bands (ev): -17.9667 -17.9667 -17.8280 -17.8280 -17.7635 -17.7635 -17.7628 -17.7628 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1532 -12.1532 -6.8226 -6.8226 -6.8109 -6.8109 -6.7036 -6.7036 -6.5222 -6.5222 -6.4476 -6.4476 -6.3797 -6.3797 -5.5738 -5.5738 -5.4794 -5.4794 -5.4378 -5.4378 -5.4220 -5.4220 -5.2203 -5.2203 -5.0925 -5.0925 -5.0843 -5.0843 -4.9329 -4.9329 -4.8580 -4.8580 -4.8048 -4.8048 -4.7849 -4.7849 -4.6780 -4.6780 2.1274 2.1274 2.1736 2.1736 2.1829 2.1829 2.2207 2.2207 2.2365 2.2365 2.2471 2.2471 3.6945 3.6945 3.9837 3.9837 4.3725 4.3725 4.9679 4.9679 5.3447 5.3447 5.3740 5.3740 5.4613 5.4613 5.5187 5.5187 k = 0.2639 0.4571-0.0000 ( 40970 PWs) bands (ev): -17.9668 -17.9668 -17.8280 -17.8280 -17.7635 -17.7635 -17.7626 -17.7626 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1532 -12.1532 -6.8226 -6.8226 -6.8109 -6.8109 -6.7040 -6.7040 -6.5220 -6.5220 -6.4483 -6.4483 -6.3788 -6.3788 -5.5735 -5.5735 -5.4798 -5.4798 -5.4378 -5.4378 -5.4220 -5.4220 -5.2209 -5.2209 -5.0930 -5.0930 -5.0848 -5.0848 -4.9333 -4.9333 -4.8585 -4.8585 -4.8041 -4.8041 -4.7829 -4.7829 -4.6781 -4.6781 2.1275 2.1275 2.1745 2.1745 2.1846 2.1846 2.2212 2.2212 2.2387 2.2387 2.2482 2.2482 3.6347 3.6347 4.0145 4.0145 4.4220 4.4220 4.9610 4.9610 5.3464 5.3464 5.3756 5.3756 5.4515 5.4515 5.5220 5.5220 k = 0.2500 0.4330-0.0000 ( 40954 PWs) bands (ev): -17.9669 -17.9669 -17.8281 -17.8281 -17.7635 -17.7635 -17.7625 -17.7625 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1533 -12.1533 -6.8225 -6.8225 -6.8109 -6.8109 -6.7045 -6.7045 -6.5217 -6.5217 -6.4490 -6.4490 -6.3778 -6.3778 -5.5731 -5.5731 -5.4803 -5.4803 -5.4378 -5.4378 -5.4220 -5.4220 -5.2215 -5.2215 -5.0936 -5.0936 -5.0854 -5.0854 -4.9339 -4.9339 -4.8592 -4.8592 -4.8029 -4.8029 -4.7806 -4.7806 -4.6781 -4.6781 2.1280 2.1280 2.1755 2.1755 2.1864 2.1864 2.2221 2.2221 2.2411 2.2411 2.2496 2.2496 3.5739 3.5739 4.0480 4.0480 4.4734 4.4734 4.9531 4.9531 5.3500 5.3500 5.3762 5.3762 5.4409 5.4409 5.5244 5.5244 k = 0.2361 0.4090-0.0000 ( 40936 PWs) bands (ev): -17.9670 -17.9670 -17.8281 -17.8281 -17.7634 -17.7634 -17.7624 -17.7624 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1533 -12.1533 -6.8224 -6.8224 -6.8110 -6.8110 -6.7051 -6.7051 -6.5214 -6.5214 -6.4499 -6.4499 -6.3766 -6.3766 -5.5726 -5.5726 -5.4810 -5.4810 -5.4376 -5.4376 -5.4222 -5.4222 -5.2223 -5.2223 -5.0942 -5.0942 -5.0861 -5.0861 -4.9347 -4.9347 -4.8600 -4.8600 -4.8011 -4.8011 -4.7783 -4.7783 -4.6781 -4.6781 2.1289 2.1289 2.1768 2.1768 2.1885 2.1885 2.2233 2.2233 2.2437 2.2437 2.2511 2.2511 3.5132 3.5132 4.0841 4.0841 4.5250 4.5250 4.9449 4.9449 5.3555 5.3555 5.3758 5.3758 5.4298 5.4298 5.5257 5.5257 k = 0.2222 0.3849-0.0000 ( 40948 PWs) bands (ev): -17.9671 -17.9671 -17.8282 -17.8282 -17.7634 -17.7634 -17.7622 -17.7622 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1533 -12.1533 -6.8223 -6.8223 -6.8111 -6.8111 -6.7057 -6.7057 -6.5210 -6.5210 -6.4510 -6.4510 -6.3753 -6.3753 -5.5721 -5.5721 -5.4818 -5.4818 -5.4374 -5.4374 -5.4224 -5.4224 -5.2232 -5.2232 -5.0951 -5.0951 -5.0869 -5.0869 -4.9356 -4.9356 -4.8609 -4.8609 -4.7988 -4.7988 -4.7758 -4.7758 -4.6781 -4.6781 2.1304 2.1304 2.1781 2.1781 2.1908 2.1908 2.2248 2.2248 2.2462 2.2462 2.2528 2.2528 3.4532 3.4532 4.1227 4.1227 4.5749 4.5749 4.9378 4.9378 5.3626 5.3626 5.3744 5.3744 5.4188 5.4188 5.5259 5.5259 k = 0.2083 0.3608-0.0000 ( 40946 PWs) bands (ev): -17.9673 -17.9673 -17.8282 -17.8282 -17.7632 -17.7632 -17.7621 -17.7621 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1534 -12.1534 -6.8222 -6.8222 -6.8112 -6.8112 -6.7064 -6.7064 -6.5206 -6.5206 -6.4521 -6.4521 -6.3738 -6.3738 -5.5715 -5.5715 -5.4827 -5.4827 -5.4370 -5.4370 -5.4228 -5.4228 -5.2242 -5.2242 -5.0961 -5.0961 -5.0875 -5.0875 -4.9367 -4.9367 -4.8620 -4.8620 -4.7960 -4.7960 -4.7733 -4.7733 -4.6780 -4.6780 2.1323 2.1323 2.1794 2.1794 2.1933 2.1933 2.2265 2.2265 2.2488 2.2488 2.2547 2.2547 3.3944 3.3944 4.1637 4.1637 4.6209 4.6209 4.9340 4.9340 5.3695 5.3695 5.3725 5.3725 5.4094 5.4094 5.5250 5.5250 k = 0.1944 0.3368-0.0000 ( 40960 PWs) bands (ev): -17.9675 -17.9675 -17.8283 -17.8283 -17.7631 -17.7631 -17.7620 -17.7620 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1534 -12.1534 -6.8220 -6.8220 -6.8112 -6.8112 -6.7072 -6.7072 -6.5202 -6.5202 -6.4532 -6.4532 -6.3723 -6.3723 -5.5708 -5.5708 -5.4837 -5.4837 -5.4365 -5.4365 -5.4232 -5.4232 -5.2253 -5.2253 -5.0973 -5.0973 -5.0881 -5.0881 -4.9379 -4.9379 -4.8631 -4.8631 -4.7928 -4.7928 -4.7707 -4.7707 -4.6779 -4.6779 2.1348 2.1348 2.1809 2.1809 2.1959 2.1959 2.2285 2.2285 2.2511 2.2511 2.2569 2.2569 3.3372 3.3372 4.2069 4.2069 4.6599 4.6599 4.9365 4.9365 5.3686 5.3686 5.3733 5.3733 5.4065 5.4065 5.5232 5.5232 k = 0.1806 0.3127-0.0000 ( 40939 PWs) bands (ev): -17.9677 -17.9677 -17.8283 -17.8283 -17.7629 -17.7629 -17.7619 -17.7619 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1534 -12.1534 -6.8219 -6.8219 -6.8113 -6.8113 -6.7080 -6.7080 -6.5197 -6.5197 -6.4545 -6.4545 -6.3707 -6.3707 -5.5701 -5.5701 -5.4848 -5.4848 -5.4358 -5.4358 -5.4237 -5.4237 -5.2265 -5.2265 -5.0988 -5.0988 -5.0885 -5.0885 -4.9393 -4.9393 -4.8644 -4.8644 -4.7893 -4.7893 -4.7681 -4.7681 -4.6778 -4.6778 2.1378 2.1378 2.1823 2.1823 2.1988 2.1988 2.2306 2.2306 2.2533 2.2533 2.2593 2.2593 3.2819 3.2819 4.2523 4.2523 4.6885 4.6885 4.9486 4.9486 5.3644 5.3644 5.3678 5.3678 5.4147 5.4147 5.5208 5.5208 k = 0.1667 0.2887-0.0000 ( 40929 PWs) bands (ev): -17.9679 -17.9679 -17.8284 -17.8284 -17.7628 -17.7628 -17.7618 -17.7618 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1535 -12.1535 -6.8217 -6.8217 -6.8115 -6.8115 -6.7088 -6.7088 -6.5192 -6.5192 -6.4557 -6.4557 -6.3690 -6.3690 -5.5694 -5.5694 -5.4860 -5.4860 -5.4351 -5.4351 -5.4242 -5.4242 -5.2277 -5.2277 -5.1004 -5.1004 -5.0888 -5.0888 -4.9406 -4.9406 -4.8656 -4.8656 -4.7858 -4.7858 -4.7654 -4.7654 -4.6776 -4.6776 2.1412 2.1412 2.1837 2.1837 2.2018 2.2018 2.2328 2.2328 2.2554 2.2554 2.2619 2.2619 3.2289 3.2289 4.2995 4.2995 4.7051 4.7051 4.9716 4.9716 5.3558 5.3558 5.3615 5.3615 5.4300 5.4300 5.5185 5.5185 k = 0.1528 0.2646-0.0000 ( 40911 PWs) bands (ev): -17.9681 -17.9681 -17.8284 -17.8284 -17.7626 -17.7626 -17.7617 -17.7617 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1535 -12.1535 -6.8215 -6.8215 -6.8116 -6.8116 -6.7097 -6.7097 -6.5187 -6.5187 -6.4569 -6.4569 -6.3674 -6.3674 -5.5686 -5.5686 -5.4873 -5.4873 -5.4344 -5.4344 -5.4248 -5.4248 -5.2290 -5.2290 -5.1022 -5.1022 -5.0890 -5.0890 -4.9420 -4.9420 -4.8669 -4.8669 -4.7822 -4.7822 -4.7626 -4.7626 -4.6773 -4.6773 2.1449 2.1449 2.1852 2.1852 2.2050 2.2050 2.2352 2.2352 2.2572 2.2572 2.2646 2.2646 3.1783 3.1783 4.3484 4.3484 4.7111 4.7111 5.0036 5.0036 5.3443 5.3443 5.3566 5.3566 5.4489 5.4489 5.5174 5.5174 k = 0.1389 0.2406-0.0000 ( 40901 PWs) bands (ev): -17.9683 -17.9683 -17.8285 -17.8285 -17.7624 -17.7624 -17.7616 -17.7616 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1536 -12.1536 -6.8213 -6.8213 -6.8117 -6.8117 -6.7105 -6.7105 -6.5182 -6.5182 -6.4581 -6.4581 -6.3658 -6.3658 -5.5679 -5.5679 -5.4885 -5.4885 -5.4336 -5.4336 -5.4254 -5.4254 -5.2302 -5.2302 -5.1040 -5.1040 -5.0891 -5.0891 -4.9434 -4.9434 -4.8682 -4.8682 -4.7787 -4.7787 -4.7597 -4.7597 -4.6771 -4.6771 2.1488 2.1488 2.1866 2.1866 2.2082 2.2082 2.2377 2.2377 2.2590 2.2590 2.2673 2.2673 3.1305 3.1305 4.3985 4.3985 4.7101 4.7101 5.0402 5.0402 5.3324 5.3324 5.3516 5.3516 5.4702 5.4702 5.5191 5.5191 k = 0.1250 0.2165-0.0000 ( 40899 PWs) bands (ev): -17.9685 -17.9685 -17.8286 -17.8286 -17.7622 -17.7622 -17.7615 -17.7615 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1536 -12.1536 -6.8211 -6.8211 -6.8118 -6.8118 -6.7114 -6.7114 -6.5177 -6.5177 -6.4592 -6.4592 -6.3643 -6.3643 -5.5671 -5.5671 -5.4898 -5.4898 -5.4329 -5.4329 -5.4259 -5.4259 -5.2314 -5.2314 -5.1058 -5.1058 -5.0892 -5.0892 -4.9447 -4.9447 -4.8695 -4.8695 -4.7755 -4.7755 -4.7568 -4.7568 -4.6768 -4.6768 2.1528 2.1528 2.1879 2.1879 2.2116 2.2116 2.2402 2.2402 2.2607 2.2607 2.2698 2.2698 3.0857 3.0857 4.4495 4.4495 4.7051 4.7051 5.0768 5.0768 5.3210 5.3210 5.3465 5.3465 5.4924 5.4924 5.5264 5.5264 k = 0.1111 0.1925-0.0000 ( 40885 PWs) bands (ev): -17.9686 -17.9686 -17.8286 -17.8286 -17.7620 -17.7620 -17.7614 -17.7614 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1537 -12.1537 -6.8209 -6.8209 -6.8119 -6.8119 -6.7122 -6.7122 -6.5173 -6.5173 -6.4603 -6.4603 -6.3629 -6.3629 -5.5664 -5.5664 -5.4910 -5.4910 -5.4323 -5.4323 -5.4263 -5.4263 -5.2326 -5.2326 -5.1076 -5.1076 -5.0892 -5.0892 -4.9459 -4.9459 -4.8708 -4.8708 -4.7726 -4.7726 -4.7539 -4.7539 -4.6766 -4.6766 2.1567 2.1567 2.1892 2.1892 2.2151 2.2151 2.2429 2.2429 2.2623 2.2623 2.2723 2.2723 3.0442 3.0442 4.5008 4.5008 4.6984 4.6984 5.1092 5.1092 5.3104 5.3104 5.3415 5.3415 5.5140 5.5140 5.5427 5.5427 k = 0.0972 0.1684-0.0000 ( 40897 PWs) bands (ev): -17.9688 -17.9688 -17.8287 -17.8287 -17.7618 -17.7618 -17.7613 -17.7613 -17.7113 -17.7113 -17.7113 -17.7113 -12.2004 -12.2004 -12.1537 -12.1537 -6.8207 -6.8207 -6.8120 -6.8120 -6.7129 -6.7129 -6.5168 -6.5168 -6.4612 -6.4612 -6.3616 -6.3616 -5.5657 -5.5657 -5.4921 -5.4921 -5.4318 -5.4318 -5.4266 -5.4266 -5.2336 -5.2336 -5.1093 -5.1093 -5.0892 -5.0892 -4.9470 -4.9470 -4.8719 -4.8719 -4.7700 -4.7700 -4.7510 -4.7510 -4.6763 -4.6763 2.1604 2.1604 2.1903 2.1903 2.2184 2.2184 2.2455 2.2455 2.2638 2.2638 2.2745 2.2745 3.0064 3.0064 4.5517 4.5517 4.6914 4.6914 5.1342 5.1342 5.3008 5.3008 5.3366 5.3366 5.5366 5.5366 5.5681 5.5681 k = 0.0833 0.1443-0.0000 ( 40901 PWs) bands (ev): -17.9690 -17.9690 -17.8287 -17.8287 -17.7616 -17.7616 -17.7612 -17.7612 -17.7113 -17.7113 -17.7113 -17.7113 -12.2004 -12.2004 -12.1537 -12.1537 -6.8205 -6.8205 -6.8121 -6.8121 -6.7137 -6.7137 -6.5164 -6.5164 -6.4621 -6.4621 -6.3605 -6.3605 -5.5651 -5.5651 -5.4931 -5.4931 -5.4316 -5.4316 -5.4267 -5.4267 -5.2346 -5.2346 -5.1109 -5.1109 -5.0892 -5.0892 -4.9480 -4.9480 -4.8730 -4.8730 -4.7678 -4.7678 -4.7483 -4.7483 -4.6761 -4.6761 2.1638 2.1638 2.1914 2.1914 2.2217 2.2217 2.2481 2.2481 2.2653 2.2653 2.2765 2.2765 2.9725 2.9725 4.6012 4.6012 4.6850 4.6850 5.1501 5.1501 5.2921 5.2921 5.3321 5.3321 5.5646 5.5646 5.5989 5.5989 k = 0.0694 0.1203-0.0000 ( 40933 PWs) bands (ev): -17.9691 -17.9691 -17.8288 -17.8288 -17.7615 -17.7615 -17.7612 -17.7612 -17.7114 -17.7114 -17.7113 -17.7113 -12.2004 -12.2004 -12.1538 -12.1538 -6.8203 -6.8203 -6.8122 -6.8122 -6.7143 -6.7143 -6.5161 -6.5161 -6.4628 -6.4628 -6.3595 -6.3595 -5.5645 -5.5645 -5.4940 -5.4940 -5.4316 -5.4316 -5.4265 -5.4265 -5.2355 -5.2355 -5.1122 -5.1122 -5.0892 -5.0892 -4.9489 -4.9489 -4.8739 -4.8739 -4.7660 -4.7660 -4.7457 -4.7457 -4.6759 -4.6759 2.1667 2.1667 2.1923 2.1923 2.2246 2.2246 2.2506 2.2506 2.2668 2.2668 2.2783 2.2783 2.9430 2.9430 4.6476 4.6476 4.6802 4.6802 5.1573 5.1573 5.2842 5.2842 5.3281 5.3281 5.5990 5.5990 5.6331 5.6331 k = 0.0556 0.0962-0.0000 ( 40943 PWs) bands (ev): -17.9693 -17.9693 -17.8288 -17.8288 -17.7614 -17.7614 -17.7611 -17.7611 -17.7114 -17.7114 -17.7113 -17.7113 -12.2004 -12.2004 -12.1538 -12.1538 -6.8202 -6.8202 -6.8122 -6.8122 -6.7148 -6.7148 -6.5158 -6.5158 -6.4635 -6.4635 -6.3586 -6.3586 -5.5641 -5.5641 -5.4948 -5.4948 -5.4317 -5.4317 -5.4263 -5.4263 -5.2362 -5.2362 -5.1134 -5.1134 -5.0892 -5.0892 -4.9496 -4.9496 -4.8747 -4.8747 -4.7646 -4.7646 -4.7435 -4.7435 -4.6757 -4.6757 2.1692 2.1692 2.1931 2.1931 2.2272 2.2272 2.2528 2.2528 2.2682 2.2682 2.2798 2.2798 2.9181 2.9181 4.6712 4.6712 4.6955 4.6955 5.1576 5.1576 5.2770 5.2770 5.3246 5.3246 5.6379 5.6379 5.6696 5.6696 k = 0.0417 0.0722-0.0000 ( 40969 PWs) bands (ev): -17.9694 -17.9694 -17.8289 -17.8289 -17.7613 -17.7613 -17.7610 -17.7610 -17.7114 -17.7114 -17.7113 -17.7113 -12.2005 -12.2005 -12.1538 -12.1538 -6.8200 -6.8200 -6.8123 -6.8123 -6.7152 -6.7152 -6.5155 -6.5155 -6.4639 -6.4639 -6.3579 -6.3579 -5.5637 -5.5637 -5.4954 -5.4954 -5.4319 -5.4319 -5.4260 -5.4260 -5.2368 -5.2368 -5.1143 -5.1143 -5.0892 -5.0892 -4.9502 -4.9502 -4.8753 -4.8753 -4.7635 -4.7635 -4.7417 -4.7417 -4.6756 -4.6756 2.1711 2.1711 2.1938 2.1938 2.2292 2.2292 2.2547 2.2547 2.2694 2.2694 2.2811 2.2811 2.8983 2.8983 4.6690 4.6690 4.7321 4.7321 5.1535 5.1535 5.2705 5.2705 5.3218 5.3218 5.6776 5.6776 5.7075 5.7075 k = 0.0278 0.0481-0.0000 ( 40965 PWs) bands (ev): -17.9694 -17.9694 -17.8289 -17.8289 -17.7612 -17.7612 -17.7610 -17.7610 -17.7114 -17.7114 -17.7113 -17.7113 -12.2005 -12.2005 -12.1538 -12.1538 -6.8199 -6.8199 -6.8123 -6.8123 -6.7156 -6.7156 -6.5153 -6.5153 -6.4643 -6.4643 -6.3575 -6.3575 -5.5634 -5.5634 -5.4959 -5.4959 -5.4320 -5.4320 -5.4258 -5.4258 -5.2373 -5.2373 -5.1150 -5.1150 -5.0892 -5.0892 -4.9506 -4.9506 -4.8758 -4.8758 -4.7627 -4.7627 -4.7403 -4.7403 -4.6755 -4.6755 2.1724 2.1724 2.1942 2.1942 2.2307 2.2307 2.2561 2.2561 2.2705 2.2705 2.2820 2.2820 2.8839 2.8839 4.6667 4.6667 4.7621 4.7621 5.1477 5.1477 5.2653 5.2653 5.3197 5.3197 5.7128 5.7128 5.7451 5.7457 k = 0.0139 0.0241-0.0000 ( 40963 PWs) bands (ev): -17.9695 -17.9695 -17.8289 -17.8289 -17.7612 -17.7612 -17.7610 -17.7610 -17.7114 -17.7114 -17.7113 -17.7113 -12.2005 -12.2005 -12.1538 -12.1538 -6.8199 -6.8199 -6.8124 -6.8124 -6.7157 -6.7157 -6.5152 -6.5152 -6.4645 -6.4645 -6.3572 -6.3572 -5.5633 -5.5633 -5.4962 -5.4962 -5.4321 -5.4321 -5.4256 -5.4256 -5.2375 -5.2375 -5.1154 -5.1154 -5.0892 -5.0892 -4.9508 -4.9508 -4.8761 -4.8761 -4.7622 -4.7622 -4.7395 -4.7395 -4.6754 -4.6754 2.1732 2.1732 2.1945 2.1945 2.2316 2.2316 2.2569 2.2569 2.2712 2.2712 2.2826 2.2826 2.8751 2.8751 4.6653 4.6653 4.7817 4.7817 5.1427 5.1427 5.2619 5.2619 5.3185 5.3185 5.7360 5.7360 5.7520 5.7520 k = 0.0000 0.0000 0.0000 ( 41003 PWs) bands (ev): -17.9695 -17.9695 -17.8289 -17.8289 -17.7612 -17.7612 -17.7609 -17.7609 -17.7114 -17.7114 -17.7113 -17.7113 -12.2005 -12.2005 -12.1538 -12.1538 -6.8199 -6.8199 -6.8124 -6.8124 -6.7158 -6.7158 -6.5152 -6.5152 -6.4646 -6.4646 -6.3571 -6.3571 -5.5632 -5.5632 -5.4962 -5.4962 -5.4322 -5.4322 -5.4256 -5.4256 -5.2376 -5.2376 -5.1156 -5.1156 -5.0892 -5.0892 -4.9509 -4.9509 -4.8761 -4.8761 -4.7621 -4.7621 -4.7392 -4.7392 -4.6754 -4.6754 2.1735 2.1735 2.1946 2.1946 2.2319 2.2319 2.2572 2.2572 2.2714 2.2714 2.2828 2.2828 2.8722 2.8722 4.6648 4.6648 4.7886 4.7886 5.1408 5.1408 5.2607 5.2607 5.3181 5.3181 5.7415 5.7415 5.7538 5.7538 k = 0.0000 0.0000 0.0000 ( 41003 PWs) bands (ev): -17.9695 -17.9695 -17.8289 -17.8289 -17.7612 -17.7612 -17.7609 -17.7609 -17.7114 -17.7114 -17.7113 -17.7113 -12.2005 -12.2005 -12.1538 -12.1538 -6.8199 -6.8199 -6.8124 -6.8124 -6.7158 -6.7158 -6.5152 -6.5152 -6.4646 -6.4646 -6.3571 -6.3571 -5.5632 -5.5632 -5.4962 -5.4962 -5.4322 -5.4322 -5.4256 -5.4256 -5.2376 -5.2376 -5.1156 -5.1156 -5.0892 -5.0892 -4.9509 -4.9509 -4.8761 -4.8761 -4.7621 -4.7621 -4.7392 -4.7392 -4.6754 -4.6754 2.1735 2.1735 2.1946 2.1946 2.2319 2.2319 2.2572 2.2572 2.2714 2.2714 2.2828 2.2828 2.8722 2.8722 4.6648 4.6648 4.7886 4.7886 5.1408 5.1408 5.2607 5.2607 5.3181 5.3181 5.7415 5.7415 5.7538 5.7538 k = 0.0000 0.0000 0.0278 ( 40979 PWs) bands (ev): -17.9693 -17.9693 -17.8291 -17.8291 -17.7611 -17.7611 -17.7609 -17.7609 -17.7114 -17.7114 -17.7113 -17.7113 -12.2004 -12.2004 -12.1539 -12.1539 -6.8196 -6.8196 -6.8124 -6.8124 -6.7161 -6.7161 -6.5148 -6.5148 -6.4657 -6.4657 -6.3567 -6.3567 -5.5656 -5.5656 -5.4932 -5.4932 -5.4328 -5.4328 -5.4249 -5.4249 -5.2369 -5.2369 -5.1160 -5.1160 -5.0895 -5.0895 -4.9507 -4.9507 -4.8763 -4.8763 -4.7624 -4.7624 -4.7392 -4.7392 -4.6755 -4.6755 2.1733 2.1733 2.1943 2.1943 2.2312 2.2312 2.2567 2.2567 2.2703 2.2703 2.2823 2.2823 2.8755 2.8755 4.6576 4.6576 4.7896 4.7896 5.1423 5.1423 5.2622 5.2622 5.3275 5.3275 5.7412 5.7412 5.7532 5.7532 k = 0.0000 0.0000 0.0556 ( 40949 PWs) bands (ev): -17.9687 -17.9687 -17.8297 -17.8297 -17.7609 -17.7609 -17.7607 -17.7607 -17.7116 -17.7116 -17.7116 -17.7116 -12.2001 -12.2001 -12.1540 -12.1540 -6.8189 -6.8189 -6.8124 -6.8124 -6.7169 -6.7169 -6.5135 -6.5135 -6.4689 -6.4689 -6.3558 -6.3558 -5.5717 -5.5717 -5.4853 -5.4853 -5.4346 -5.4346 -5.4227 -5.4227 -5.2349 -5.2349 -5.1172 -5.1172 -5.0902 -5.0902 -4.9501 -4.9501 -4.8766 -4.8766 -4.7634 -4.7634 -4.7390 -4.7390 -4.6758 -4.6758 2.1725 2.1725 2.1934 2.1934 2.2291 2.2291 2.2553 2.2553 2.2670 2.2670 2.2808 2.2808 2.8855 2.8855 4.6372 4.6372 4.7927 4.7927 5.1469 5.1469 5.2668 5.2668 5.3547 5.3547 5.7401 5.7401 5.7512 5.7512 k = 0.0000 0.0000 0.0834 ( 40961 PWs) bands (ev): -17.9678 -17.9678 -17.8307 -17.8307 -17.7605 -17.7605 -17.7603 -17.7603 -17.7120 -17.7120 -17.7119 -17.7119 -12.1997 -12.1997 -12.1542 -12.1542 -6.8176 -6.8176 -6.8124 -6.8124 -6.7181 -6.7181 -6.5113 -6.5113 -6.4741 -6.4741 -6.3545 -6.3545 -5.5797 -5.5797 -5.4743 -5.4743 -5.4376 -5.4376 -5.4192 -5.4192 -5.2315 -5.2315 -5.1191 -5.1191 -5.0915 -5.0915 -4.9491 -4.9491 -4.8772 -4.8772 -4.7650 -4.7650 -4.7388 -4.7388 -4.6764 -4.6764 2.1713 2.1713 2.1920 2.1920 2.2256 2.2256 2.2529 2.2529 2.2618 2.2618 2.2783 2.2783 2.9018 2.9018 4.6063 4.6063 4.7979 4.7979 5.1544 5.1544 5.2743 5.2743 5.3968 5.3968 5.7385 5.7385 5.7484 5.7484 k = 0.0000 0.0000 0.1112 ( 40985 PWs) bands (ev): -17.9665 -17.9665 -17.8321 -17.8321 -17.7601 -17.7601 -17.7599 -17.7599 -17.7125 -17.7125 -17.7124 -17.7124 -12.1991 -12.1991 -12.1546 -12.1546 -6.8159 -6.8159 -6.8124 -6.8124 -6.7199 -6.7199 -6.5084 -6.5084 -6.4811 -6.4811 -6.3529 -6.3529 -5.5882 -5.5882 -5.4616 -5.4616 -5.4418 -5.4418 -5.4143 -5.4143 -5.2266 -5.2266 -5.1219 -5.1219 -5.0932 -5.0932 -4.9477 -4.9477 -4.8780 -4.8780 -4.7673 -4.7673 -4.7385 -4.7385 -4.6772 -4.6772 2.1696 2.1696 2.1900 2.1900 2.2208 2.2208 2.2497 2.2497 2.2553 2.2553 2.2749 2.2749 2.9239 2.9239 4.5680 4.5680 4.8052 4.8052 5.1649 5.1649 5.2846 5.2846 5.4506 5.4506 5.7367 5.7367 5.7452 5.7452 k = 0.0000 0.0000 0.1390 ( 40991 PWs) bands (ev): -17.9648 -17.9648 -17.8339 -17.8339 -17.7594 -17.7594 -17.7592 -17.7592 -17.7131 -17.7131 -17.7130 -17.7130 -12.1983 -12.1983 -12.1550 -12.1550 -6.8135 -6.8135 -6.8123 -6.8123 -6.7222 -6.7222 -6.5047 -6.5047 -6.4894 -6.4894 -6.3513 -6.3513 -5.5966 -5.5966 -5.4480 -5.4480 -5.4470 -5.4470 -5.4081 -5.4081 -5.2205 -5.2205 -5.1253 -5.1253 -5.0955 -5.0955 -4.9459 -4.9459 -4.8792 -4.8792 -4.7702 -4.7702 -4.7381 -4.7381 -4.6782 -4.6782 2.1676 2.1676 2.1875 2.1875 2.2148 2.2148 2.2456 2.2456 2.2477 2.2477 2.2707 2.2707 2.9512 2.9512 4.5249 4.5249 4.8145 4.8145 5.1783 5.1783 5.2977 5.2977 5.5133 5.5133 5.7350 5.7350 5.7418 5.7419 k = 0.0000 0.0000 0.1668 ( 40991 PWs) bands (ev): -17.9628 -17.9628 -17.8361 -17.8361 -17.7587 -17.7587 -17.7585 -17.7585 -17.7138 -17.7138 -17.7137 -17.7137 -12.1974 -12.1974 -12.1555 -12.1555 -6.8122 -6.8122 -6.8107 -6.8107 -6.7249 -6.7249 -6.5003 -6.5003 -6.4991 -6.4991 -6.3499 -6.3499 -5.6045 -5.6045 -5.4532 -5.4532 -5.4340 -5.4340 -5.4007 -5.4007 -5.2129 -5.2129 -5.1295 -5.1295 -5.0983 -5.0983 -4.9436 -4.9436 -4.8807 -4.8807 -4.7738 -4.7738 -4.7375 -4.7375 -4.6795 -4.6795 2.1653 2.1653 2.1845 2.1845 2.2079 2.2079 2.2396 2.2396 2.2408 2.2408 2.2656 2.2656 2.9832 2.9832 4.4789 4.4789 4.8259 4.8259 5.1943 5.1943 5.3134 5.3134 5.5829 5.5829 5.7262 5.7271 5.7340 5.7340 k = 0.0000 0.0000 0.1946 ( 40961 PWs) bands (ev): -17.9604 -17.9604 -17.8386 -17.8386 -17.7578 -17.7578 -17.7576 -17.7576 -17.7147 -17.7147 -17.7146 -17.7146 -12.1964 -12.1964 -12.1561 -12.1561 -6.8120 -6.8120 -6.8073 -6.8073 -6.7280 -6.7280 -6.5097 -6.5097 -6.4952 -6.4952 -6.3488 -6.3488 -5.6115 -5.6115 -5.4604 -5.4604 -5.4198 -5.4198 -5.3921 -5.3921 -5.2039 -5.2039 -5.1344 -5.1344 -5.1017 -5.1017 -4.9410 -4.9410 -4.8827 -4.8827 -4.7779 -4.7779 -4.7369 -4.7369 -4.6809 -4.6809 2.1627 2.1627 2.1812 2.1812 2.2003 2.2003 2.2313 2.2313 2.2354 2.2354 2.2597 2.2597 3.0192 3.0192 4.4311 4.4311 4.8393 4.8393 5.2130 5.2130 5.3317 5.3317 5.6576 5.6576 5.7025 5.7025 5.7338 5.7338 k = 0.0000 0.0000 0.2224 ( 40937 PWs) bands (ev): -17.9577 -17.9577 -17.8415 -17.8415 -17.7569 -17.7569 -17.7567 -17.7567 -17.7157 -17.7157 -17.7156 -17.7156 -12.1952 -12.1952 -12.1568 -12.1568 -6.8117 -6.8117 -6.8032 -6.8032 -6.7314 -6.7314 -6.5212 -6.5212 -6.4895 -6.4895 -6.3481 -6.3481 -5.6176 -5.6176 -5.4684 -5.4684 -5.4057 -5.4057 -5.3825 -5.3825 -5.1937 -5.1937 -5.1399 -5.1399 -5.1056 -5.1056 -4.9380 -4.9380 -4.8851 -4.8851 -4.7827 -4.7827 -4.7362 -4.7362 -4.6826 -4.6826 2.1600 2.1600 2.1777 2.1777 2.1923 2.1923 2.2228 2.2228 2.2294 2.2294 2.2532 2.2532 3.0589 3.0589 4.3824 4.3824 4.8547 4.8547 5.2340 5.2340 5.3523 5.3523 5.6760 5.6760 5.7350 5.7350 5.7389 5.7391 k = 0.0000 0.0000 0.2502 ( 40943 PWs) bands (ev): -17.9546 -17.9546 -17.8448 -17.8448 -17.7558 -17.7558 -17.7556 -17.7556 -17.7168 -17.7168 -17.7167 -17.7167 -12.1939 -12.1939 -12.1575 -12.1575 -6.8113 -6.8113 -6.7986 -6.7986 -6.7352 -6.7352 -6.5334 -6.5334 -6.4832 -6.4832 -6.3480 -6.3480 -5.6227 -5.6227 -5.4772 -5.4772 -5.3917 -5.3917 -5.3719 -5.3719 -5.1821 -5.1821 -5.1460 -5.1460 -5.1101 -5.1101 -4.9347 -4.9347 -4.8881 -4.8881 -4.7880 -4.7880 -4.7353 -4.7353 -4.6844 -4.6844 2.1573 2.1573 2.1739 2.1739 2.1843 2.1843 2.2144 2.2144 2.2230 2.2230 2.2460 2.2460 3.1016 3.1016 4.3333 4.3333 4.8720 4.8720 5.2573 5.2573 5.3750 5.3750 5.6469 5.6469 5.7378 5.7378 5.7414 5.7414 k = 0.0000 0.0000 0.2780 ( 40930 PWs) bands (ev): -17.9513 -17.9513 -17.8483 -17.8483 -17.7545 -17.7545 -17.7544 -17.7544 -17.7180 -17.7180 -17.7179 -17.7179 -12.1925 -12.1925 -12.1584 -12.1584 -6.8106 -6.8106 -6.7933 -6.7933 -6.7392 -6.7392 -6.5461 -6.5461 -6.4765 -6.4765 -6.3485 -6.3485 -5.6266 -5.6266 -5.4865 -5.4865 -5.3781 -5.3781 -5.3605 -5.3605 -5.1694 -5.1694 -5.1526 -5.1526 -5.1153 -5.1153 -4.9310 -4.9310 -4.8918 -4.8918 -4.7938 -4.7938 -4.7343 -4.7343 -4.6865 -4.6865 2.1546 2.1546 2.1700 2.1700 2.1767 2.1767 2.2061 2.2061 2.2163 2.2163 2.2384 2.2384 3.1469 3.1469 4.2839 4.2839 4.8913 4.8913 5.2826 5.2826 5.3998 5.3998 5.6156 5.6156 5.7426 5.7426 5.7460 5.7460 k = 0.0000 0.0000 0.3058 ( 40936 PWs) bands (ev): -17.9477 -17.9477 -17.8521 -17.8521 -17.7532 -17.7532 -17.7530 -17.7530 -17.7194 -17.7194 -17.7193 -17.7193 -12.1910 -12.1910 -12.1594 -12.1594 -6.8098 -6.8098 -6.7874 -6.7874 -6.7435 -6.7435 -6.5592 -6.5592 -6.4694 -6.4694 -6.3496 -6.3496 -5.6295 -5.6295 -5.4964 -5.4964 -5.3648 -5.3648 -5.3484 -5.3484 -5.1598 -5.1598 -5.1556 -5.1556 -5.1210 -5.1210 -4.9269 -4.9269 -4.8962 -4.8962 -4.8001 -4.8001 -4.7333 -4.7333 -4.6887 -4.6887 2.1521 2.1521 2.1661 2.1661 2.1697 2.1697 2.1980 2.1980 2.2094 2.2094 2.2305 2.2305 3.1945 3.1945 4.2345 4.2345 4.9124 4.9124 5.3097 5.3097 5.4262 5.4262 5.5825 5.5825 5.7494 5.7494 5.7532 5.7532 k = 0.0000 0.0000 0.3336 ( 40972 PWs) bands (ev): -17.9438 -17.9438 -17.8562 -17.8562 -17.7518 -17.7518 -17.7516 -17.7516 -17.7208 -17.7208 -17.7207 -17.7207 -12.1894 -12.1894 -12.1604 -12.1604 -6.8088 -6.8088 -6.7809 -6.7809 -6.7479 -6.7479 -6.5727 -6.5727 -6.4620 -6.4620 -6.3513 -6.3513 -5.6311 -5.6311 -5.5067 -5.5067 -5.3519 -5.3519 -5.3357 -5.3357 -5.1674 -5.1674 -5.1409 -5.1409 -5.1274 -5.1274 -4.9224 -4.9224 -4.9015 -4.9015 -4.8067 -4.8067 -4.7320 -4.7320 -4.6911 -4.6911 2.1498 2.1498 2.1623 2.1623 2.1635 2.1635 2.1902 2.1902 2.2024 2.2024 2.2222 2.2222 3.2439 3.2439 4.1850 4.1850 4.9353 4.9353 5.3384 5.3384 5.4542 5.4542 5.5478 5.5478 5.7583 5.7583 5.7633 5.7633 k = 0.0000 0.0000 0.3614 ( 40954 PWs) bands (ev): -17.9397 -17.9397 -17.8605 -17.8605 -17.7503 -17.7503 -17.7502 -17.7502 -17.7223 -17.7223 -17.7222 -17.7222 -12.1877 -12.1877 -12.1616 -12.1616 -6.8075 -6.8075 -6.7737 -6.7737 -6.7524 -6.7524 -6.5864 -6.5864 -6.4544 -6.4544 -6.3536 -6.3536 -5.6316 -5.6316 -5.5172 -5.5172 -5.3394 -5.3394 -5.3225 -5.3225 -5.1754 -5.1754 -5.1345 -5.1345 -5.1254 -5.1254 -4.9177 -4.9177 -4.9076 -4.9076 -4.8136 -4.8136 -4.7307 -4.7307 -4.6935 -4.6935 2.1478 2.1478 2.1583 2.1583 2.1586 2.1586 2.1829 2.1829 2.1954 2.1954 2.2139 2.2139 3.2949 3.2949 4.1354 4.1354 4.9600 4.9600 5.3684 5.3684 5.4834 5.4834 5.5119 5.5119 5.7684 5.7684 5.7765 5.7765 k = 0.0000 0.0000 0.3892 ( 40924 PWs) bands (ev): -17.9353 -17.9353 -17.8650 -17.8650 -17.7488 -17.7488 -17.7486 -17.7486 -17.7239 -17.7239 -17.7238 -17.7238 -12.1860 -12.1860 -12.1628 -12.1628 -6.8060 -6.8060 -6.7658 -6.7658 -6.7570 -6.7570 -6.6002 -6.6002 -6.4465 -6.4465 -6.3566 -6.3566 -5.6310 -5.6310 -5.5279 -5.5279 -5.3273 -5.3273 -5.3090 -5.3090 -5.1838 -5.1838 -5.1422 -5.1422 -5.1093 -5.1093 -4.9148 -4.9148 -4.9127 -4.9127 -4.8208 -4.8208 -4.7292 -4.7292 -4.6961 -4.6961 2.1463 2.1463 2.1541 2.1541 2.1553 2.1553 2.1760 2.1760 2.1886 2.1886 2.2055 2.2055 3.3471 3.3471 4.0855 4.0855 4.9865 4.9865 5.3995 5.3995 5.4750 5.4750 5.5136 5.5136 5.7765 5.7765 5.7928 5.7928 k = 0.0000 0.0000 0.4170 ( 40912 PWs) bands (ev): -17.9307 -17.9307 -17.8698 -17.8698 -17.7471 -17.7471 -17.7470 -17.7470 -17.7255 -17.7255 -17.7254 -17.7254 -12.1843 -12.1843 -12.1641 -12.1641 -6.8042 -6.8042 -6.7617 -6.7617 -6.7573 -6.7573 -6.6140 -6.6140 -6.4386 -6.4386 -6.3602 -6.3602 -5.6292 -5.6292 -5.5386 -5.5386 -5.3154 -5.3154 -5.2953 -5.2953 -5.1925 -5.1925 -5.1506 -5.1506 -5.0928 -5.0928 -4.9231 -4.9231 -4.9073 -4.9073 -4.8280 -4.8280 -4.7276 -4.7276 -4.6988 -4.6988 2.1452 2.1452 2.1511 2.1511 2.1523 2.1523 2.1696 2.1696 2.1820 2.1820 2.1973 2.1973 3.4002 3.4002 4.0354 4.0354 5.0145 5.0145 5.4314 5.4314 5.4374 5.4374 5.5446 5.5446 5.7742 5.7742 5.8124 5.8124 k = 0.0000 0.0000 0.4448 ( 40894 PWs) bands (ev): -17.9260 -17.9260 -17.8746 -17.8746 -17.7454 -17.7454 -17.7453 -17.7453 -17.7272 -17.7272 -17.7271 -17.7271 -12.1825 -12.1825 -12.1655 -12.1655 -6.8021 -6.8021 -6.7662 -6.7662 -6.7481 -6.7481 -6.6278 -6.6278 -6.4307 -6.4307 -6.3644 -6.3644 -5.6263 -5.6263 -5.5492 -5.5492 -5.3039 -5.3039 -5.2815 -5.2815 -5.2015 -5.2015 -5.1597 -5.1597 -5.0761 -5.0761 -4.9325 -4.9325 -4.9017 -4.9017 -4.8353 -4.8353 -4.7258 -4.7258 -4.7015 -4.7015 2.1447 2.1447 2.1493 2.1493 2.1498 2.1498 2.1640 2.1640 2.1758 2.1758 2.1894 2.1894 3.4539 3.4539 3.9849 3.9849 5.0441 5.0441 5.3994 5.3994 5.4639 5.4639 5.5760 5.5760 5.7589 5.7589 5.8338 5.8338 k = 0.0000 0.0000 0.4726 ( 40930 PWs) bands (ev): -17.9211 -17.9211 -17.8797 -17.8797 -17.7437 -17.7437 -17.7435 -17.7435 -17.7290 -17.7290 -17.7289 -17.7289 -12.1807 -12.1807 -12.1669 -12.1669 -6.7997 -6.7997 -6.7707 -6.7707 -6.7383 -6.7383 -6.6415 -6.6415 -6.4228 -6.4228 -6.3691 -6.3691 -5.6223 -5.6223 -5.5596 -5.5596 -5.2927 -5.2927 -5.2677 -5.2677 -5.2108 -5.2108 -5.1695 -5.1695 -5.0594 -5.0594 -4.9430 -4.9430 -4.8959 -4.8959 -4.8425 -4.8425 -4.7239 -4.7239 -4.7042 -4.7042 2.1448 2.1448 2.1479 2.1479 2.1487 2.1487 2.1591 2.1591 2.1699 2.1699 2.1818 2.1818 3.5081 3.5081 3.9339 3.9339 5.0751 5.0751 5.3613 5.3613 5.4967 5.4967 5.6077 5.6077 5.7372 5.7372 5.8322 5.8322 k = 0.0000 0.0000 0.5004 ( 40984 PWs) bands (ev): -17.9161 -17.9161 -17.8848 -17.8848 -17.7419 -17.7419 -17.7417 -17.7417 -17.7308 -17.7308 -17.7307 -17.7307 -12.1789 -12.1789 -12.1685 -12.1685 -6.7970 -6.7970 -6.7751 -6.7751 -6.7279 -6.7279 -6.6549 -6.6549 -6.4151 -6.4151 -6.3744 -6.3744 -5.6173 -5.6173 -5.5696 -5.5696 -5.2817 -5.2817 -5.2540 -5.2540 -5.2203 -5.2203 -5.1799 -5.1799 -5.0428 -5.0428 -4.9546 -4.9546 -4.8898 -4.8898 -4.8497 -4.8497 -4.7218 -4.7218 -4.7070 -4.7070 2.1456 2.1456 2.1465 2.1465 2.1492 2.1492 2.1549 2.1549 2.1646 2.1646 2.1748 2.1748 3.5624 3.5624 3.8824 3.8824 5.1075 5.1075 5.3233 5.3233 5.5295 5.5295 5.6392 5.6392 5.7121 5.7121 5.8103 5.8103 k = 0.0000 0.0000 0.5282 ( 40990 PWs) bands (ev): -17.9109 -17.9109 -17.8900 -17.8900 -17.7401 -17.7401 -17.7399 -17.7399 -17.7326 -17.7326 -17.7325 -17.7325 -12.1771 -12.1771 -12.1701 -12.1701 -6.7940 -6.7940 -6.7794 -6.7794 -6.7169 -6.7169 -6.6681 -6.6681 -6.4075 -6.4075 -6.3802 -6.3802 -5.6113 -5.6113 -5.5793 -5.5793 -5.2710 -5.2710 -5.2406 -5.2406 -5.2300 -5.2300 -5.1910 -5.1910 -5.0264 -5.0264 -4.9672 -4.9672 -4.8836 -4.8836 -4.8568 -4.8568 -4.7196 -4.7196 -4.7096 -4.7096 2.1459 2.1459 2.1471 2.1471 2.1503 2.1503 2.1522 2.1522 2.1598 2.1598 2.1684 2.1684 3.6167 3.6167 3.8303 3.8303 5.1412 5.1412 5.2855 5.2855 5.5621 5.5621 5.6703 5.6703 5.6848 5.6848 5.7854 5.7854 k = 0.0000 0.0000 0.5560 ( 41026 PWs) bands (ev): -17.9057 -17.9057 -17.8952 -17.8952 -17.7382 -17.7382 -17.7380 -17.7380 -17.7345 -17.7345 -17.7343 -17.7343 -12.1754 -12.1754 -12.1716 -12.1716 -6.7907 -6.7907 -6.7834 -6.7834 -6.7054 -6.7054 -6.6809 -6.6809 -6.4002 -6.4002 -6.3865 -6.3865 -5.6044 -5.6044 -5.5883 -5.5883 -5.2605 -5.2605 -5.2400 -5.2400 -5.2275 -5.2275 -5.2026 -5.2026 -5.0106 -5.0106 -4.9809 -4.9809 -4.8771 -4.8771 -4.8637 -4.8637 -4.7173 -4.7173 -4.7123 -4.7123 2.1459 2.1459 2.1487 2.1487 2.1492 2.1492 2.1541 2.1541 2.1557 2.1557 2.1627 2.1627 3.6707 3.6707 3.7776 3.7776 5.1759 5.1759 5.2483 5.2483 5.5942 5.5942 5.6559 5.6559 5.7008 5.7008 5.7586 5.7586 k = 0.0000 0.0000 0.5838 ( 40984 PWs) bands (ev): -17.9005 -17.9005 -17.9005 -17.9005 -17.7363 -17.7363 -17.7363 -17.7363 -17.7362 -17.7362 -17.7362 -17.7362 -12.1742 -12.1742 -12.1728 -12.1728 -6.7872 -6.7872 -6.7872 -6.7872 -6.6934 -6.6934 -6.6934 -6.6934 -6.3932 -6.3932 -6.3931 -6.3931 -5.5968 -5.5968 -5.5967 -5.5967 -5.2501 -5.2501 -5.2501 -5.2501 -5.2148 -5.2148 -5.2148 -5.2148 -4.9954 -4.9954 -4.9954 -4.9954 -4.8705 -4.8705 -4.8705 -4.8705 -4.7148 -4.7148 -4.7148 -4.7148 2.1464 2.1464 2.1475 2.1475 2.1515 2.1515 2.1527 2.1527 2.1574 2.1574 2.1585 2.1585 3.7243 3.7243 3.7245 3.7245 5.2117 5.2117 5.2117 5.2117 5.6255 5.6255 5.6256 5.6256 5.7303 5.7303 5.7303 5.7303 k = 0.0000 0.0000 0.5838 ( 40984 PWs) bands (ev): -17.9005 -17.9005 -17.9005 -17.9005 -17.7363 -17.7363 -17.7363 -17.7363 -17.7362 -17.7362 -17.7362 -17.7362 -12.1742 -12.1742 -12.1728 -12.1728 -6.7872 -6.7872 -6.7872 -6.7872 -6.6934 -6.6934 -6.6934 -6.6934 -6.3932 -6.3932 -6.3931 -6.3931 -5.5968 -5.5968 -5.5967 -5.5967 -5.2501 -5.2501 -5.2501 -5.2501 -5.2148 -5.2148 -5.2148 -5.2148 -4.9954 -4.9954 -4.9954 -4.9954 -4.8705 -4.8705 -4.8705 -4.8705 -4.7148 -4.7148 -4.7148 -4.7148 2.1464 2.1464 2.1475 2.1475 2.1515 2.1515 2.1527 2.1527 2.1574 2.1574 2.1585 2.1585 3.7243 3.7243 3.7245 3.7245 5.2117 5.2117 5.2117 5.2117 5.6255 5.6255 5.6256 5.6256 5.7303 5.7303 5.7303 5.7303 k = 0.0238 0.0137 0.5838 ( 41018 PWs) bands (ev): -17.9005 -17.9005 -17.9005 -17.9005 -17.7364 -17.7364 -17.7363 -17.7363 -17.7362 -17.7362 -17.7362 -17.7362 -12.1742 -12.1742 -12.1728 -12.1728 -6.7871 -6.7871 -6.7871 -6.7871 -6.6934 -6.6934 -6.6934 -6.6934 -6.3932 -6.3932 -6.3932 -6.3932 -5.5967 -5.5967 -5.5966 -5.5966 -5.2501 -5.2501 -5.2501 -5.2501 -5.2148 -5.2148 -5.2148 -5.2148 -4.9953 -4.9953 -4.9953 -4.9953 -4.8706 -4.8706 -4.8705 -4.8705 -4.7150 -4.7150 -4.7150 -4.7150 2.1465 2.1465 2.1477 2.1477 2.1516 2.1516 2.1527 2.1527 2.1579 2.1579 2.1590 2.1590 3.7254 3.7254 3.7255 3.7255 5.2066 5.2066 5.2066 5.2066 5.6245 5.6245 5.6247 5.6247 5.7284 5.7284 5.7286 5.7286 k = 0.0476 0.0275 0.5838 ( 41010 PWs) bands (ev): -17.9005 -17.9005 -17.9004 -17.9004 -17.7364 -17.7364 -17.7364 -17.7364 -17.7362 -17.7362 -17.7362 -17.7362 -12.1742 -12.1742 -12.1728 -12.1728 -6.7870 -6.7870 -6.7870 -6.7870 -6.6933 -6.6933 -6.6933 -6.6933 -6.3934 -6.3934 -6.3934 -6.3934 -5.5963 -5.5963 -5.5962 -5.5962 -5.2501 -5.2501 -5.2501 -5.2501 -5.2148 -5.2148 -5.2148 -5.2148 -4.9953 -4.9953 -4.9953 -4.9953 -4.8708 -4.8708 -4.8707 -4.8707 -4.7155 -4.7155 -4.7155 -4.7155 2.1469 2.1469 2.1481 2.1481 2.1518 2.1518 2.1530 2.1530 2.1594 2.1594 2.1605 2.1605 3.7287 3.7287 3.7288 3.7288 5.1916 5.1916 5.1920 5.1920 5.6199 5.6199 5.6216 5.6216 5.7235 5.7235 5.7248 5.7248 k = 0.0714 0.0412 0.5838 ( 41014 PWs) bands (ev): -17.9004 -17.9004 -17.9004 -17.9004 -17.7364 -17.7364 -17.7364 -17.7364 -17.7362 -17.7362 -17.7362 -17.7362 -12.1742 -12.1742 -12.1728 -12.1728 -6.7868 -6.7868 -6.7868 -6.7868 -6.6931 -6.6931 -6.6931 -6.6931 -6.3938 -6.3938 -6.3938 -6.3938 -5.5957 -5.5957 -5.5956 -5.5956 -5.2501 -5.2501 -5.2500 -5.2500 -5.2148 -5.2148 -5.2148 -5.2148 -4.9952 -4.9952 -4.9952 -4.9952 -4.8711 -4.8711 -4.8711 -4.8711 -4.7163 -4.7163 -4.7163 -4.7163 2.1473 2.1473 2.1485 2.1485 2.1522 2.1522 2.1535 2.1535 2.1620 2.1620 2.1631 2.1631 3.7342 3.7342 3.7343 3.7343 5.1679 5.1679 5.1689 5.1689 5.6094 5.6094 5.6140 5.6140 5.7174 5.7174 5.7207 5.7207 k = 0.0952 0.0550 0.5838 ( 40980 PWs) bands (ev): -17.9003 -17.9003 -17.9003 -17.9003 -17.7364 -17.7364 -17.7364 -17.7364 -17.7363 -17.7363 -17.7363 -17.7363 -12.1742 -12.1742 -12.1728 -12.1728 -6.7865 -6.7865 -6.7865 -6.7865 -6.6929 -6.6929 -6.6929 -6.6929 -6.3942 -6.3942 -6.3942 -6.3942 -5.5948 -5.5948 -5.5948 -5.5948 -5.2500 -5.2500 -5.2499 -5.2499 -5.2149 -5.2149 -5.2147 -5.2147 -4.9951 -4.9951 -4.9951 -4.9951 -4.8716 -4.8716 -4.8715 -4.8715 -4.7175 -4.7175 -4.7175 -4.7175 2.1474 2.1474 2.1487 2.1487 2.1531 2.1531 2.1545 2.1545 2.1657 2.1657 2.1668 2.1668 3.7419 3.7419 3.7421 3.7421 5.1368 5.1368 5.1387 5.1387 5.5920 5.5920 5.6001 5.6001 5.7116 5.7116 5.7168 5.7168 k = 0.1190 0.0687 0.5838 ( 40980 PWs) bands (ev): -17.9003 -17.9003 -17.9003 -17.9003 -17.7365 -17.7365 -17.7365 -17.7365 -17.7363 -17.7363 -17.7363 -17.7363 -12.1742 -12.1742 -12.1728 -12.1728 -6.7861 -6.7861 -6.7861 -6.7861 -6.6926 -6.6926 -6.6926 -6.6926 -6.3948 -6.3948 -6.3948 -6.3948 -5.5937 -5.5937 -5.5937 -5.5937 -5.2500 -5.2500 -5.2498 -5.2498 -5.2149 -5.2149 -5.2147 -5.2147 -4.9950 -4.9950 -4.9950 -4.9950 -4.8722 -4.8722 -4.8721 -4.8721 -4.7189 -4.7189 -4.7189 -4.7189 2.1471 2.1471 2.1485 2.1485 2.1545 2.1545 2.1560 2.1560 2.1704 2.1704 2.1715 2.1715 3.7518 3.7518 3.7521 3.7521 5.0997 5.0997 5.1029 5.1029 5.5687 5.5687 5.5797 5.5797 5.7061 5.7061 5.7116 5.7116 k = 0.1429 0.0825 0.5838 ( 40988 PWs) bands (ev): -17.9002 -17.9002 -17.9002 -17.9002 -17.7366 -17.7366 -17.7366 -17.7366 -17.7363 -17.7363 -17.7363 -17.7363 -12.1742 -12.1742 -12.1728 -12.1728 -6.7857 -6.7857 -6.7856 -6.7856 -6.6923 -6.6923 -6.6922 -6.6922 -6.3955 -6.3955 -6.3955 -6.3955 -5.5925 -5.5925 -5.5924 -5.5924 -5.2499 -5.2499 -5.2496 -5.2496 -5.2151 -5.2151 -5.2147 -5.2147 -4.9948 -4.9948 -4.9948 -4.9948 -4.8729 -4.8729 -4.8728 -4.8728 -4.7206 -4.7206 -4.7205 -4.7205 2.1466 2.1466 2.1480 2.1480 2.1564 2.1564 2.1580 2.1580 2.1759 2.1759 2.1770 2.1770 3.7640 3.7640 3.7644 3.7644 5.0578 5.0578 5.0624 5.0624 5.5415 5.5415 5.5544 5.5544 5.6992 5.6992 5.7035 5.7035 k = 0.1667 0.0962 0.5838 ( 40978 PWs) bands (ev): -17.9001 -17.9001 -17.9000 -17.9000 -17.7366 -17.7366 -17.7366 -17.7366 -17.7364 -17.7364 -17.7364 -17.7364 -12.1742 -12.1742 -12.1728 -12.1728 -6.7852 -6.7852 -6.7851 -6.7851 -6.6920 -6.6920 -6.6918 -6.6918 -6.3963 -6.3963 -6.3962 -6.3962 -5.5911 -5.5911 -5.5910 -5.5910 -5.2498 -5.2498 -5.2493 -5.2493 -5.2153 -5.2153 -5.2147 -5.2147 -4.9946 -4.9946 -4.9946 -4.9946 -4.8737 -4.8737 -4.8735 -4.8735 -4.7225 -4.7225 -4.7223 -4.7223 2.1458 2.1458 2.1473 2.1473 2.1587 2.1587 2.1603 2.1603 2.1822 2.1822 2.1833 2.1833 3.7784 3.7784 3.7791 3.7791 5.0122 5.0122 5.0182 5.0182 5.5120 5.5120 5.5261 5.5261 5.6898 5.6898 5.6921 5.6921 k = 0.1905 0.1100 0.5838 ( 40968 PWs) bands (ev): -17.8999 -17.8999 -17.8999 -17.8999 -17.7367 -17.7367 -17.7367 -17.7367 -17.7364 -17.7364 -17.7364 -17.7364 -12.1742 -12.1742 -12.1728 -12.1728 -6.7847 -6.7847 -6.7845 -6.7845 -6.6916 -6.6916 -6.6914 -6.6914 -6.3971 -6.3971 -6.3971 -6.3971 -5.5895 -5.5895 -5.5894 -5.5894 -5.2497 -5.2497 -5.2489 -5.2489 -5.2156 -5.2156 -5.2148 -5.2148 -4.9944 -4.9944 -4.9944 -4.9944 -4.8746 -4.8746 -4.8744 -4.8744 -4.7245 -4.7245 -4.7243 -4.7243 2.1449 2.1449 2.1464 2.1464 2.1613 2.1613 2.1628 2.1628 2.1890 2.1890 2.1901 2.1901 3.7952 3.7952 3.7963 3.7963 4.9637 4.9637 4.9710 4.9710 5.4818 5.4818 5.4965 5.4965 5.6775 5.6775 5.6776 5.6776 k = 0.2143 0.1237 0.5838 ( 40972 PWs) bands (ev): -17.8998 -17.8998 -17.8998 -17.8998 -17.7368 -17.7368 -17.7368 -17.7368 -17.7364 -17.7364 -17.7364 -17.7364 -12.1742 -12.1742 -12.1727 -12.1727 -6.7841 -6.7841 -6.7839 -6.7839 -6.6912 -6.6912 -6.6909 -6.6909 -6.3980 -6.3980 -6.3980 -6.3980 -5.5878 -5.5878 -5.5877 -5.5877 -5.2495 -5.2495 -5.2485 -5.2485 -5.2159 -5.2159 -5.2149 -5.2149 -4.9942 -4.9942 -4.9942 -4.9942 -4.8755 -4.8755 -4.8752 -4.8752 -4.7267 -4.7267 -4.7264 -4.7264 2.1439 2.1439 2.1454 2.1454 2.1640 2.1640 2.1656 2.1656 2.1962 2.1962 2.1973 2.1973 3.8144 3.8144 3.8158 3.8158 4.9129 4.9129 4.9215 4.9215 5.4518 5.4518 5.4667 5.4667 5.6606 5.6606 5.6630 5.6630 k = 0.2381 0.1375 0.5838 ( 40966 PWs) bands (ev): -17.8997 -17.8997 -17.8997 -17.8997 -17.7369 -17.7369 -17.7369 -17.7369 -17.7365 -17.7365 -17.7365 -17.7365 -12.1742 -12.1742 -12.1727 -12.1727 -6.7835 -6.7835 -6.7833 -6.7833 -6.6907 -6.6907 -6.6904 -6.6904 -6.3990 -6.3990 -6.3989 -6.3989 -5.5861 -5.5861 -5.5860 -5.5860 -5.2493 -5.2493 -5.2480 -5.2480 -5.2164 -5.2164 -5.2151 -5.2151 -4.9939 -4.9939 -4.9939 -4.9939 -4.8765 -4.8765 -4.8762 -4.8762 -4.7289 -4.7289 -4.7286 -4.7286 2.1428 2.1428 2.1443 2.1443 2.1669 2.1669 2.1685 2.1685 2.2035 2.2035 2.2047 2.2047 3.8359 3.8359 3.8378 3.8378 4.8605 4.8605 4.8701 4.8701 5.4230 5.4230 5.4376 5.4376 5.6425 5.6425 5.6467 5.6467 k = 0.2619 0.1512 0.5838 ( 40948 PWs) bands (ev): -17.8996 -17.8996 -17.8995 -17.8995 -17.7371 -17.7371 -17.7370 -17.7370 -17.7365 -17.7365 -17.7365 -17.7365 -12.1742 -12.1742 -12.1727 -12.1727 -6.7829 -6.7829 -6.7826 -6.7826 -6.6902 -6.6902 -6.6898 -6.6898 -6.4000 -6.4000 -6.3999 -6.3999 -5.5843 -5.5843 -5.5842 -5.5842 -5.2489 -5.2489 -5.2474 -5.2474 -5.2170 -5.2170 -5.2154 -5.2154 -4.9937 -4.9937 -4.9937 -4.9936 -4.8775 -4.8775 -4.8771 -4.8771 -4.7312 -4.7312 -4.7308 -4.7308 2.1418 2.1418 2.1432 2.1432 2.1699 2.1699 2.1714 2.1714 2.2109 2.2109 2.2121 2.2121 3.8597 3.8597 3.8622 3.8622 4.8069 4.8069 4.8175 4.8175 5.3957 5.3957 5.4098 5.4098 5.6239 5.6239 5.6295 5.6295 k = 0.2857 0.1650 0.5838 ( 40948 PWs) bands (ev): -17.8994 -17.8994 -17.8994 -17.8994 -17.7372 -17.7372 -17.7372 -17.7372 -17.7365 -17.7365 -17.7365 -17.7365 -12.1742 -12.1742 -12.1727 -12.1727 -6.7823 -6.7823 -6.7820 -6.7820 -6.6898 -6.6898 -6.6893 -6.6893 -6.4009 -6.4009 -6.4008 -6.4008 -5.5826 -5.5826 -5.5825 -5.5825 -5.2485 -5.2485 -5.2467 -5.2467 -5.2176 -5.2176 -5.2158 -5.2158 -4.9934 -4.9934 -4.9934 -4.9934 -4.8785 -4.8785 -4.8781 -4.8781 -4.7334 -4.7334 -4.7329 -4.7329 2.1407 2.1407 2.1421 2.1421 2.1728 2.1728 2.1743 2.1743 2.2182 2.2182 2.2194 2.2194 3.8859 3.8859 3.8890 3.8890 4.7527 4.7527 4.7640 4.7640 5.3704 5.3704 5.3838 5.3838 5.6057 5.6057 5.6122 5.6122 k = 0.3095 0.1787 0.5838 ( 40946 PWs) bands (ev): -17.8993 -17.8993 -17.8993 -17.8993 -17.7373 -17.7373 -17.7373 -17.7373 -17.7366 -17.7366 -17.7366 -17.7366 -12.1742 -12.1742 -12.1727 -12.1727 -6.7818 -6.7818 -6.7814 -6.7814 -6.6893 -6.6893 -6.6888 -6.6888 -6.4019 -6.4019 -6.4018 -6.4018 -5.5809 -5.5809 -5.5807 -5.5807 -5.2480 -5.2480 -5.2460 -5.2460 -5.2183 -5.2183 -5.2163 -5.2163 -4.9931 -4.9931 -4.9931 -4.9931 -4.8795 -4.8795 -4.8790 -4.8790 -4.7355 -4.7355 -4.7350 -4.7350 2.1396 2.1396 2.1410 2.1410 2.1757 2.1757 2.1772 2.1772 2.2251 2.2251 2.2263 2.2263 3.9144 3.9144 3.9180 3.9180 4.6983 4.6983 4.7101 4.7101 5.3475 5.3475 5.3599 5.3599 5.5883 5.5883 5.5952 5.5952 k = 0.3333 0.1925 0.5838 ( 40948 PWs) bands (ev): -17.8992 -17.8992 -17.8992 -17.8992 -17.7374 -17.7374 -17.7374 -17.7374 -17.7366 -17.7366 -17.7366 -17.7366 -12.1742 -12.1742 -12.1727 -12.1727 -6.7812 -6.7812 -6.7809 -6.7809 -6.6888 -6.6888 -6.6883 -6.6883 -6.4028 -6.4028 -6.4027 -6.4027 -5.5792 -5.5792 -5.5791 -5.5791 -5.2474 -5.2474 -5.2453 -5.2453 -5.2191 -5.2191 -5.2169 -5.2169 -4.9929 -4.9929 -4.9929 -4.9929 -4.8804 -4.8804 -4.8799 -4.8799 -4.7374 -4.7374 -4.7369 -4.7369 2.1386 2.1386 2.1399 2.1399 2.1785 2.1785 2.1799 2.1799 2.2316 2.2316 2.2328 2.2328 3.9450 3.9450 3.9493 3.9493 4.6443 4.6443 4.6563 4.6563 5.3271 5.3271 5.3383 5.3383 5.5722 5.5722 5.5792 5.5792 k = 0.3571 0.2062 0.5838 ( 40940 PWs) bands (ev): -17.8991 -17.8991 -17.8991 -17.8991 -17.7374 -17.7374 -17.7374 -17.7374 -17.7366 -17.7366 -17.7366 -17.7366 -12.1742 -12.1742 -12.1727 -12.1727 -6.7807 -6.7807 -6.7803 -6.7803 -6.6884 -6.6884 -6.6879 -6.6879 -6.4036 -6.4036 -6.4035 -6.4035 -5.5777 -5.5777 -5.5776 -5.5776 -5.2468 -5.2468 -5.2446 -5.2446 -5.2199 -5.2199 -5.2176 -5.2176 -4.9926 -4.9926 -4.9926 -4.9926 -4.8812 -4.8812 -4.8807 -4.8807 -4.7392 -4.7392 -4.7387 -4.7387 2.1377 2.1377 2.1390 2.1390 2.1810 2.1810 2.1824 2.1824 2.2375 2.2375 2.2387 2.2387 3.9774 3.9774 3.9824 3.9824 4.5910 4.5910 4.6030 4.6030 5.3094 5.3094 5.3193 5.3193 5.5578 5.5578 5.5645 5.5645 k = 0.3810 0.2199 0.5838 ( 40938 PWs) bands (ev): -17.8990 -17.8990 -17.8990 -17.8990 -17.7375 -17.7375 -17.7375 -17.7375 -17.7367 -17.7367 -17.7367 -17.7367 -12.1742 -12.1742 -12.1727 -12.1727 -6.7803 -6.7803 -6.7799 -6.7799 -6.6880 -6.6880 -6.6875 -6.6875 -6.4043 -6.4043 -6.4042 -6.4042 -5.5764 -5.5764 -5.5763 -5.5763 -5.2461 -5.2461 -5.2439 -5.2439 -5.2206 -5.2206 -5.2184 -5.2184 -4.9924 -4.9924 -4.9924 -4.9924 -4.8820 -4.8820 -4.8815 -4.8815 -4.7408 -4.7408 -4.7403 -4.7403 2.1369 2.1369 2.1381 2.1381 2.1833 2.1833 2.1846 2.1846 2.2426 2.2426 2.2438 2.2438 4.0115 4.0115 4.0171 4.0171 4.5391 4.5391 4.5509 4.5509 5.2944 5.2944 5.3029 5.3029 5.5454 5.5454 5.5514 5.5514 k = 0.4048 0.2337 0.5838 ( 40904 PWs) bands (ev): -17.8989 -17.8989 -17.8989 -17.8989 -17.7376 -17.7376 -17.7376 -17.7376 -17.7367 -17.7367 -17.7367 -17.7367 -12.1742 -12.1742 -12.1727 -12.1727 -6.7799 -6.7799 -6.7796 -6.7796 -6.6876 -6.6876 -6.6872 -6.6872 -6.4050 -6.4050 -6.4049 -6.4049 -5.5752 -5.5752 -5.5751 -5.5751 -5.2454 -5.2454 -5.2433 -5.2433 -5.2212 -5.2212 -5.2192 -5.2192 -4.9922 -4.9922 -4.9922 -4.9922 -4.8826 -4.8826 -4.8822 -4.8822 -4.7421 -4.7421 -4.7417 -4.7417 2.1362 2.1362 2.1374 2.1374 2.1852 2.1852 2.1865 2.1865 2.2470 2.2470 2.2482 2.2482 4.0465 4.0465 4.0525 4.0525 4.4895 4.4895 4.5007 4.5007 5.2823 5.2823 5.2892 5.2892 5.5351 5.5351 5.5402 5.5402 k = 0.4286 0.2474 0.5838 ( 40884 PWs) bands (ev): -17.8988 -17.8988 -17.8988 -17.8988 -17.7376 -17.7376 -17.7376 -17.7376 -17.7367 -17.7367 -17.7367 -17.7367 -12.1742 -12.1742 -12.1727 -12.1727 -6.7795 -6.7795 -6.7793 -6.7793 -6.6873 -6.6873 -6.6870 -6.6870 -6.4055 -6.4055 -6.4054 -6.4054 -5.5743 -5.5743 -5.5742 -5.5742 -5.2446 -5.2446 -5.2429 -5.2429 -5.2217 -5.2217 -5.2200 -5.2200 -4.9921 -4.9921 -4.9920 -4.9920 -4.8830 -4.8830 -4.8827 -4.8827 -4.7431 -4.7431 -4.7428 -4.7428 2.1356 2.1356 2.1368 2.1368 2.1868 2.1868 2.1881 2.1881 2.2504 2.2504 2.2517 2.2517 4.0814 4.0814 4.0876 4.0876 4.4435 4.4435 4.4537 4.4537 5.2730 5.2730 5.2783 5.2783 5.5271 5.5271 5.5311 5.5311 k = 0.4524 0.2612 0.5838 ( 40910 PWs) bands (ev): -17.8988 -17.8988 -17.8988 -17.8988 -17.7377 -17.7377 -17.7377 -17.7377 -17.7367 -17.7367 -17.7367 -17.7367 -12.1742 -12.1742 -12.1727 -12.1727 -6.7793 -6.7793 -6.7791 -6.7791 -6.6871 -6.6871 -6.6868 -6.6868 -6.4058 -6.4058 -6.4058 -6.4058 -5.5736 -5.5736 -5.5736 -5.5736 -5.2439 -5.2439 -5.2427 -5.2427 -5.2220 -5.2220 -5.2207 -5.2207 -4.9919 -4.9919 -4.9919 -4.9919 -4.8834 -4.8834 -4.8831 -4.8831 -4.7438 -4.7438 -4.7436 -4.7436 2.1352 2.1352 2.1364 2.1364 2.1880 2.1880 2.1892 2.1892 2.2530 2.2530 2.2542 2.2542 4.1140 4.1140 4.1196 4.1196 4.4038 4.4038 4.4121 4.4121 5.2667 5.2667 5.2702 5.2702 5.5215 5.5215 5.5243 5.5243 k = 0.4762 0.2749 0.5838 ( 40898 PWs) bands (ev): -17.8987 -17.8987 -17.8987 -17.8987 -17.7377 -17.7377 -17.7377 -17.7377 -17.7367 -17.7367 -17.7367 -17.7367 -12.1742 -12.1742 -12.1727 -12.1727 -6.7791 -6.7791 -6.7790 -6.7790 -6.6869 -6.6869 -6.6868 -6.6868 -6.4061 -6.4061 -6.4060 -6.4060 -5.5732 -5.5732 -5.5731 -5.5731 -5.2434 -5.2434 -5.2427 -5.2427 -5.2220 -5.2220 -5.2213 -5.2213 -4.9919 -4.9919 -4.9919 -4.9919 -4.8835 -4.8835 -4.8834 -4.8834 -4.7443 -4.7443 -4.7441 -4.7441 2.1350 2.1350 2.1361 2.1361 2.1887 2.1887 2.1899 2.1899 2.2545 2.2545 2.2557 2.2557 4.1399 4.1399 4.1435 4.1435 4.3756 4.3756 4.3806 4.3806 5.2632 5.2632 5.2650 5.2650 5.5185 5.5185 5.5199 5.5199 k = 0.5000 0.2887 0.5838 ( 40932 PWs) bands (ev): -17.8987 -17.8987 -17.8987 -17.8987 -17.7377 -17.7377 -17.7377 -17.7377 -17.7367 -17.7367 -17.7367 -17.7367 -12.1742 -12.1742 -12.1727 -12.1727 -6.7790 -6.7790 -6.7790 -6.7790 -6.6868 -6.6868 -6.6868 -6.6868 -6.4061 -6.4061 -6.4061 -6.4061 -5.5731 -5.5731 -5.5730 -5.5730 -5.2429 -5.2429 -5.2429 -5.2429 -5.2217 -5.2217 -5.2217 -5.2217 -4.9918 -4.9918 -4.9918 -4.9918 -4.8836 -4.8836 -4.8836 -4.8836 -4.7444 -4.7444 -4.7444 -4.7444 2.1349 2.1349 2.1360 2.1360 2.1889 2.1889 2.1901 2.1901 2.2550 2.2550 2.2562 2.2562 4.1515 4.1515 4.1516 4.1516 4.3665 4.3665 4.3666 4.3666 5.2626 5.2626 5.2627 5.2627 5.5179 5.5179 5.5179 5.5179 k = 0.5000 0.2887 0.5838 ( 40932 PWs) bands (ev): -17.8987 -17.8987 -17.8987 -17.8987 -17.7377 -17.7377 -17.7377 -17.7377 -17.7367 -17.7367 -17.7367 -17.7367 -12.1742 -12.1742 -12.1727 -12.1727 -6.7790 -6.7790 -6.7790 -6.7790 -6.6868 -6.6868 -6.6868 -6.6868 -6.4061 -6.4061 -6.4061 -6.4061 -5.5731 -5.5731 -5.5730 -5.5730 -5.2429 -5.2429 -5.2429 -5.2429 -5.2217 -5.2217 -5.2217 -5.2217 -4.9918 -4.9918 -4.9918 -4.9918 -4.8836 -4.8836 -4.8836 -4.8836 -4.7444 -4.7444 -4.7444 -4.7444 2.1349 2.1349 2.1360 2.1360 2.1889 2.1889 2.1901 2.1901 2.2550 2.2550 2.2562 2.2562 4.1515 4.1515 4.1516 4.1516 4.3665 4.3665 4.3666 4.3666 5.2626 5.2626 5.2627 5.2627 5.5179 5.5179 5.5179 5.5179 k = 0.4861 0.3127 0.5838 ( 40910 PWs) bands (ev): -17.8987 -17.8987 -17.8987 -17.8987 -17.7377 -17.7377 -17.7377 -17.7377 -17.7367 -17.7367 -17.7367 -17.7367 -12.1742 -12.1742 -12.1727 -12.1727 -6.7790 -6.7790 -6.7790 -6.7790 -6.6868 -6.6868 -6.6868 -6.6868 -6.4062 -6.4062 -6.4061 -6.4061 -5.5730 -5.5730 -5.5730 -5.5730 -5.2429 -5.2429 -5.2429 -5.2429 -5.2218 -5.2218 -5.2218 -5.2218 -4.9918 -4.9918 -4.9918 -4.9918 -4.8836 -4.8836 -4.8836 -4.8836 -4.7444 -4.7444 -4.7444 -4.7444 2.1352 2.1352 2.1364 2.1364 2.1887 2.1887 2.1899 2.1899 2.2550 2.2550 2.2562 2.2562 4.1527 4.1527 4.1528 4.1528 4.3670 4.3670 4.3671 4.3671 5.2447 5.2447 5.2447 5.2447 5.5373 5.5373 5.5374 5.5374 k = 0.4722 0.3368 0.5838 ( 40898 PWs) bands (ev): -17.8987 -17.8987 -17.8987 -17.8987 -17.7377 -17.7377 -17.7377 -17.7377 -17.7368 -17.7368 -17.7368 -17.7368 -12.1742 -12.1742 -12.1727 -12.1727 -6.7789 -6.7789 -6.7789 -6.7789 -6.6868 -6.6868 -6.6867 -6.6867 -6.4062 -6.4062 -6.4062 -6.4062 -5.5729 -5.5729 -5.5728 -5.5728 -5.2427 -5.2427 -5.2427 -5.2427 -5.2220 -5.2220 -5.2220 -5.2220 -4.9918 -4.9918 -4.9918 -4.9918 -4.8836 -4.8836 -4.8835 -4.8835 -4.7447 -4.7447 -4.7446 -4.7446 2.1364 2.1364 2.1375 2.1375 2.1881 2.1881 2.1893 2.1893 2.2549 2.2549 2.2561 2.2561 4.1563 4.1563 4.1563 4.1563 4.3686 4.3686 4.3687 4.3687 5.2019 5.2019 5.2019 5.2019 5.5848 5.5848 5.5848 5.5848 k = 0.4583 0.3608 0.5838 ( 40902 PWs) bands (ev): -17.8987 -17.8987 -17.8987 -17.8987 -17.7377 -17.7377 -17.7377 -17.7377 -17.7368 -17.7368 -17.7368 -17.7368 -12.1742 -12.1742 -12.1727 -12.1727 -6.7788 -6.7788 -6.7788 -6.7788 -6.6867 -6.6867 -6.6867 -6.6867 -6.4064 -6.4064 -6.4063 -6.4063 -5.5727 -5.5727 -5.5726 -5.5726 -5.2424 -5.2424 -5.2424 -5.2424 -5.2224 -5.2224 -5.2224 -5.2224 -4.9917 -4.9917 -4.9917 -4.9917 -4.8836 -4.8836 -4.8835 -4.8835 -4.7450 -4.7450 -4.7450 -4.7450 2.1382 2.1382 2.1393 2.1393 2.1872 2.1872 2.1884 2.1884 2.2548 2.2548 2.2560 2.2560 4.1622 4.1622 4.1622 4.1622 4.3710 4.3710 4.3711 4.3711 5.1488 5.1488 5.1488 5.1488 5.6455 5.6455 5.6455 5.6455 k = 0.4444 0.3849 0.5838 ( 40906 PWs) bands (ev): -17.8987 -17.8987 -17.8987 -17.8987 -17.7377 -17.7377 -17.7377 -17.7377 -17.7368 -17.7368 -17.7368 -17.7368 -12.1742 -12.1742 -12.1727 -12.1727 -6.7786 -6.7786 -6.7786 -6.7786 -6.6867 -6.6867 -6.6867 -6.6867 -6.4065 -6.4065 -6.4065 -6.4065 -5.5724 -5.5724 -5.5724 -5.5724 -5.2420 -5.2420 -5.2420 -5.2420 -5.2228 -5.2228 -5.2228 -5.2228 -4.9916 -4.9916 -4.9916 -4.9916 -4.8836 -4.8836 -4.8835 -4.8835 -4.7455 -4.7455 -4.7455 -4.7455 2.1406 2.1406 2.1417 2.1417 2.1859 2.1859 2.1871 2.1871 2.2546 2.2546 2.2558 2.2558 4.1705 4.1705 4.1705 4.1705 4.3741 4.3741 4.3741 4.3741 5.0927 5.0927 5.0928 5.0928 5.7121 5.7121 5.7122 5.7122 k = 0.4306 0.4090 0.5838 ( 40882 PWs) bands (ev): -17.8987 -17.8987 -17.8986 -17.8986 -17.7377 -17.7377 -17.7376 -17.7376 -17.7369 -17.7369 -17.7369 -17.7369 -12.1742 -12.1742 -12.1727 -12.1727 -6.7785 -6.7785 -6.7785 -6.7785 -6.6866 -6.6866 -6.6866 -6.6866 -6.4067 -6.4067 -6.4067 -6.4067 -5.5721 -5.5721 -5.5720 -5.5720 -5.2415 -5.2415 -5.2415 -5.2415 -5.2234 -5.2234 -5.2234 -5.2234 -4.9916 -4.9916 -4.9916 -4.9916 -4.8835 -4.8835 -4.8835 -4.8835 -4.7460 -4.7460 -4.7460 -4.7460 2.1436 2.1436 2.1447 2.1447 2.1843 2.1843 2.1855 2.1855 2.2544 2.2544 2.2556 2.2556 4.1811 4.1811 4.1811 4.1811 4.3772 4.3772 4.3773 4.3773 5.0373 5.0373 5.0373 5.0373 5.7813 5.7813 5.7813 5.7813 k = 0.4167 0.4330 0.5838 ( 40892 PWs) bands (ev): -17.8986 -17.8986 -17.8986 -17.8986 -17.7376 -17.7376 -17.7376 -17.7376 -17.7369 -17.7369 -17.7369 -17.7369 -12.1742 -12.1742 -12.1727 -12.1727 -6.7783 -6.7783 -6.7783 -6.7783 -6.6866 -6.6866 -6.6866 -6.6866 -6.4069 -6.4069 -6.4069 -6.4069 -5.5717 -5.5717 -5.5717 -5.5717 -5.2409 -5.2409 -5.2409 -5.2409 -5.2241 -5.2241 -5.2241 -5.2241 -4.9915 -4.9915 -4.9914 -4.9914 -4.8836 -4.8836 -4.8835 -4.8835 -4.7466 -4.7466 -4.7466 -4.7466 2.1469 2.1469 2.1481 2.1481 2.1824 2.1824 2.1836 2.1836 2.2543 2.2543 2.2555 2.2555 4.1940 4.1940 4.1940 4.1940 4.3798 4.3798 4.3799 4.3799 4.9844 4.9844 4.9844 4.9844 5.8508 5.8508 5.8508 5.8508 k = 0.4028 0.4571 0.5838 ( 40902 PWs) bands (ev): -17.8986 -17.8986 -17.8986 -17.8986 -17.7376 -17.7376 -17.7376 -17.7376 -17.7370 -17.7370 -17.7370 -17.7370 -12.1742 -12.1742 -12.1727 -12.1727 -6.7781 -6.7781 -6.7781 -6.7781 -6.6865 -6.6865 -6.6865 -6.6865 -6.4072 -6.4072 -6.4071 -6.4071 -5.5713 -5.5713 -5.5713 -5.5713 -5.2403 -5.2403 -5.2402 -5.2402 -5.2249 -5.2249 -5.2249 -5.2249 -4.9913 -4.9913 -4.9913 -4.9913 -4.8836 -4.8836 -4.8835 -4.8835 -4.7472 -4.7472 -4.7472 -4.7472 2.1506 2.1506 2.1517 2.1517 2.1802 2.1802 2.1814 2.1814 2.2541 2.2541 2.2553 2.2553 4.2092 4.2092 4.2092 4.2092 4.3810 4.3810 4.3811 4.3811 4.9358 4.9358 4.9358 4.9358 5.9191 5.9191 5.9191 5.9191 k = 0.3889 0.4811 0.5838 ( 40886 PWs) bands (ev): -17.8986 -17.8986 -17.8986 -17.8986 -17.7376 -17.7376 -17.7376 -17.7376 -17.7371 -17.7371 -17.7371 -17.7371 -12.1742 -12.1742 -12.1727 -12.1727 -6.7779 -6.7779 -6.7779 -6.7779 -6.6865 -6.6865 -6.6865 -6.6865 -6.4074 -6.4074 -6.4074 -6.4074 -5.5710 -5.5710 -5.5709 -5.5709 -5.2396 -5.2396 -5.2395 -5.2395 -5.2256 -5.2256 -5.2256 -5.2256 -4.9912 -4.9912 -4.9912 -4.9912 -4.8836 -4.8836 -4.8836 -4.8836 -4.7478 -4.7478 -4.7478 -4.7478 2.1543 2.1543 2.1555 2.1555 2.1779 2.1779 2.1791 2.1791 2.2540 2.2540 2.2552 2.2552 4.2266 4.2266 4.2266 4.2266 4.3796 4.3796 4.3796 4.3796 4.8930 4.8930 4.8930 4.8930 5.9840 5.9840 5.9840 5.9840 k = 0.3750 0.5052 0.5838 ( 40886 PWs) bands (ev): -17.8985 -17.8985 -17.8985 -17.8985 -17.7375 -17.7375 -17.7375 -17.7375 -17.7371 -17.7371 -17.7371 -17.7371 -12.1742 -12.1742 -12.1727 -12.1727 -6.7777 -6.7777 -6.7777 -6.7777 -6.6864 -6.6864 -6.6864 -6.6864 -6.4076 -6.4076 -6.4076 -6.4076 -5.5706 -5.5706 -5.5706 -5.5706 -5.2389 -5.2389 -5.2388 -5.2388 -5.2264 -5.2264 -5.2264 -5.2264 -4.9912 -4.9912 -4.9912 -4.9912 -4.8836 -4.8836 -4.8836 -4.8836 -4.7483 -4.7483 -4.7483 -4.7483 2.1581 2.1581 2.1592 2.1592 2.1755 2.1755 2.1767 2.1767 2.2540 2.2540 2.2551 2.2551 4.2461 4.2461 4.2461 4.2461 4.3741 4.3741 4.3742 4.3742 4.8578 4.8578 4.8578 4.8578 6.0427 6.0427 6.0427 6.0427 k = 0.3611 0.5292 0.5838 ( 40894 PWs) bands (ev): -17.8985 -17.8985 -17.8985 -17.8985 -17.7375 -17.7375 -17.7375 -17.7375 -17.7372 -17.7372 -17.7372 -17.7372 -12.1742 -12.1742 -12.1727 -12.1727 -6.7776 -6.7776 -6.7776 -6.7776 -6.6864 -6.6864 -6.6864 -6.6864 -6.4078 -6.4078 -6.4077 -6.4077 -5.5704 -5.5704 -5.5703 -5.5703 -5.2382 -5.2382 -5.2382 -5.2382 -5.2271 -5.2271 -5.2271 -5.2271 -4.9911 -4.9911 -4.9911 -4.9911 -4.8836 -4.8836 -4.8836 -4.8836 -4.7487 -4.7487 -4.7487 -4.7487 2.1616 2.1616 2.1627 2.1627 2.1730 2.1730 2.1742 2.1742 2.2539 2.2539 2.2551 2.2551 4.2676 4.2676 4.2676 4.2676 4.3634 4.3634 4.3634 4.3634 4.8318 4.8318 4.8318 4.8318 6.0908 6.0908 6.0909 6.0909 k = 0.3472 0.5533 0.5838 ( 40914 PWs) bands (ev): -17.8985 -17.8985 -17.8985 -17.8985 -17.7374 -17.7374 -17.7374 -17.7374 -17.7372 -17.7372 -17.7372 -17.7372 -12.1742 -12.1742 -12.1727 -12.1727 -6.7775 -6.7775 -6.7775 -6.7775 -6.6863 -6.6863 -6.6863 -6.6863 -6.4079 -6.4079 -6.4078 -6.4078 -5.5702 -5.5702 -5.5701 -5.5701 -5.2378 -5.2378 -5.2378 -5.2378 -5.2276 -5.2276 -5.2276 -5.2276 -4.9910 -4.9910 -4.9910 -4.9910 -4.8837 -4.8837 -4.8837 -4.8837 -4.7490 -4.7490 -4.7489 -4.7489 2.1647 2.1647 2.1659 2.1659 2.1705 2.1705 2.1717 2.1717 2.2540 2.2540 2.2552 2.2552 4.2905 4.2905 4.2905 4.2905 4.3470 4.3470 4.3471 4.3471 4.8161 4.8161 4.8161 4.8161 6.1242 6.1242 6.1242 6.1242 k = 0.3333 0.5774 0.5838 ( 40902 PWs) bands (ev): -17.8985 -17.8985 -17.8985 -17.8985 -17.7374 -17.7374 -17.7374 -17.7374 -17.7373 -17.7373 -17.7373 -17.7373 -12.1742 -12.1742 -12.1727 -12.1727 -6.7775 -6.7775 -6.7775 -6.7775 -6.6863 -6.6863 -6.6863 -6.6863 -6.4079 -6.4079 -6.4079 -6.4079 -5.5701 -5.5701 -5.5701 -5.5701 -5.2376 -5.2376 -5.2376 -5.2376 -5.2278 -5.2278 -5.2278 -5.2278 -4.9910 -4.9910 -4.9910 -4.9910 -4.8837 -4.8837 -4.8837 -4.8837 -4.7491 -4.7491 -4.7490 -4.7490 2.1666 2.1666 2.1678 2.1678 2.1688 2.1688 2.1700 2.1700 2.2540 2.2540 2.2552 2.2552 4.3070 4.3070 4.3071 4.3071 4.3325 4.3325 4.3325 4.3325 4.8110 4.8110 4.8110 4.8110 6.1422 6.1423 6.1427 6.1432 k = 0.3333 0.5774 0.5838 ( 40902 PWs) bands (ev): -17.8985 -17.8985 -17.8985 -17.8985 -17.7374 -17.7374 -17.7374 -17.7374 -17.7373 -17.7373 -17.7373 -17.7373 -12.1742 -12.1742 -12.1727 -12.1727 -6.7775 -6.7775 -6.7775 -6.7775 -6.6863 -6.6863 -6.6863 -6.6863 -6.4079 -6.4079 -6.4079 -6.4079 -5.5701 -5.5701 -5.5701 -5.5701 -5.2376 -5.2376 -5.2376 -5.2376 -5.2278 -5.2278 -5.2278 -5.2278 -4.9910 -4.9910 -4.9910 -4.9910 -4.8837 -4.8837 -4.8837 -4.8837 -4.7491 -4.7491 -4.7490 -4.7490 2.1666 2.1666 2.1678 2.1678 2.1688 2.1688 2.1700 2.1700 2.2540 2.2540 2.2552 2.2552 4.3070 4.3070 4.3071 4.3071 4.3325 4.3325 4.3325 4.3325 4.8110 4.8110 4.8110 4.8110 6.1421 6.1423 6.1429 6.1433 k = 0.3194 0.5533 0.5838 ( 40914 PWs) bands (ev): -17.8985 -17.8985 -17.8985 -17.8985 -17.7374 -17.7374 -17.7374 -17.7374 -17.7373 -17.7373 -17.7372 -17.7372 -12.1742 -12.1742 -12.1727 -12.1727 -6.7775 -6.7775 -6.7775 -6.7775 -6.6863 -6.6863 -6.6863 -6.6863 -6.4079 -6.4079 -6.4078 -6.4078 -5.5702 -5.5702 -5.5701 -5.5701 -5.2378 -5.2378 -5.2378 -5.2378 -5.2276 -5.2276 -5.2276 -5.2276 -4.9910 -4.9910 -4.9910 -4.9910 -4.8837 -4.8837 -4.8836 -4.8836 -4.7490 -4.7490 -4.7489 -4.7489 2.1650 2.1650 2.1661 2.1661 2.1702 2.1702 2.1714 2.1714 2.2540 2.2540 2.2551 2.2551 4.2871 4.2871 4.2871 4.2871 4.3508 4.3508 4.3508 4.3508 4.8157 4.8157 4.8158 4.8158 6.1282 6.1282 6.1283 6.1286 k = 0.3056 0.5292 0.5838 ( 40914 PWs) bands (ev): -17.8985 -17.8985 -17.8985 -17.8985 -17.7375 -17.7375 -17.7375 -17.7375 -17.7372 -17.7372 -17.7372 -17.7372 -12.1742 -12.1742 -12.1727 -12.1727 -6.7776 -6.7776 -6.7776 -6.7776 -6.6864 -6.6864 -6.6864 -6.6864 -6.4077 -6.4077 -6.4077 -6.4077 -5.5704 -5.5704 -5.5704 -5.5704 -5.2383 -5.2383 -5.2383 -5.2383 -5.2270 -5.2270 -5.2270 -5.2270 -4.9911 -4.9911 -4.9911 -4.9911 -4.8836 -4.8836 -4.8836 -4.8836 -4.7486 -4.7486 -4.7486 -4.7486 2.1627 2.1627 2.1638 2.1638 2.1718 2.1718 2.1730 2.1730 2.2537 2.2537 2.2549 2.2549 4.2539 4.2539 4.2539 4.2539 4.3799 4.3799 4.3799 4.3799 4.8292 4.8292 4.8293 4.8293 6.1084 6.1084 6.1084 6.1084 k = 0.2917 0.5052 0.5838 ( 40910 PWs) bands (ev): -17.8986 -17.8986 -17.8985 -17.8985 -17.7375 -17.7375 -17.7375 -17.7375 -17.7372 -17.7372 -17.7372 -17.7372 -12.1742 -12.1742 -12.1727 -12.1727 -6.7778 -6.7778 -6.7778 -6.7778 -6.6865 -6.6865 -6.6865 -6.6865 -6.4075 -6.4075 -6.4075 -6.4075 -5.5708 -5.5708 -5.5708 -5.5708 -5.2391 -5.2391 -5.2391 -5.2391 -5.2262 -5.2262 -5.2262 -5.2262 -4.9912 -4.9912 -4.9912 -4.9912 -4.8835 -4.8835 -4.8835 -4.8835 -4.7481 -4.7481 -4.7481 -4.7481 2.1604 2.1604 2.1616 2.1616 2.1729 2.1729 2.1741 2.1741 2.2532 2.2532 2.2544 2.2544 4.2168 4.2168 4.2169 4.2169 4.4119 4.4119 4.4119 4.4119 4.8501 4.8501 4.8501 4.8501 6.0829 6.0829 6.0830 6.0830 k = 0.2778 0.4811 0.5838 ( 40930 PWs) bands (ev): -17.8986 -17.8986 -17.8986 -17.8986 -17.7375 -17.7375 -17.7375 -17.7375 -17.7371 -17.7371 -17.7371 -17.7371 -12.1742 -12.1742 -12.1727 -12.1727 -6.7780 -6.7780 -6.7780 -6.7780 -6.6866 -6.6866 -6.6866 -6.6866 -6.4072 -6.4072 -6.4071 -6.4071 -5.5714 -5.5714 -5.5714 -5.5714 -5.2401 -5.2401 -5.2400 -5.2400 -5.2251 -5.2251 -5.2251 -5.2251 -4.9913 -4.9913 -4.9913 -4.9913 -4.8833 -4.8833 -4.8833 -4.8833 -4.7473 -4.7473 -4.7473 -4.7473 2.1583 2.1583 2.1595 2.1595 2.1735 2.1735 2.1747 2.1747 2.2522 2.2522 2.2534 2.2534 4.1778 4.1778 4.1779 4.1779 4.4461 4.4461 4.4461 4.4461 4.8770 4.8770 4.8771 4.8771 6.0536 6.0536 6.0536 6.0536 k = 0.2639 0.4571 0.5838 ( 40938 PWs) bands (ev): -17.8987 -17.8987 -17.8986 -17.8986 -17.7375 -17.7375 -17.7375 -17.7375 -17.7370 -17.7370 -17.7370 -17.7370 -12.1742 -12.1742 -12.1727 -12.1727 -6.7783 -6.7783 -6.7783 -6.7783 -6.6868 -6.6868 -6.6868 -6.6868 -6.4067 -6.4067 -6.4067 -6.4067 -5.5722 -5.5722 -5.5721 -5.5721 -5.2411 -5.2411 -5.2411 -5.2411 -5.2240 -5.2240 -5.2240 -5.2240 -4.9915 -4.9915 -4.9915 -4.9915 -4.8830 -4.8830 -4.8830 -4.8830 -4.7463 -4.7463 -4.7463 -4.7463 2.1564 2.1564 2.1576 2.1576 2.1735 2.1735 2.1747 2.1747 2.2507 2.2507 2.2519 2.2519 4.1381 4.1381 4.1381 4.1381 4.4823 4.4823 4.4823 4.4823 4.9091 4.9091 4.9092 4.9092 6.0224 6.0224 6.0224 6.0224 k = 0.2500 0.4330 0.5838 ( 40930 PWs) bands (ev): -17.8987 -17.8987 -17.8987 -17.8987 -17.7375 -17.7375 -17.7375 -17.7375 -17.7370 -17.7370 -17.7370 -17.7370 -12.1742 -12.1742 -12.1727 -12.1727 -6.7787 -6.7787 -6.7787 -6.7787 -6.6871 -6.6871 -6.6871 -6.6871 -6.4061 -6.4061 -6.4061 -6.4061 -5.5732 -5.5732 -5.5731 -5.5731 -5.2422 -5.2422 -5.2421 -5.2421 -5.2228 -5.2228 -5.2228 -5.2228 -4.9917 -4.9917 -4.9917 -4.9917 -4.8826 -4.8826 -4.8826 -4.8826 -4.7450 -4.7450 -4.7450 -4.7450 2.1547 2.1547 2.1559 2.1559 2.1731 2.1731 2.1743 2.1743 2.2486 2.2486 2.2498 2.2498 4.0985 4.0985 4.0985 4.0985 4.5203 4.5203 4.5204 4.5204 4.9456 4.9456 4.9456 4.9456 5.9909 5.9909 5.9909 5.9909 k = 0.2361 0.4090 0.5838 ( 40942 PWs) bands (ev): -17.8988 -17.8988 -17.8988 -17.8988 -17.7375 -17.7375 -17.7374 -17.7374 -17.7369 -17.7369 -17.7369 -17.7369 -12.1742 -12.1742 -12.1727 -12.1727 -6.7791 -6.7791 -6.7791 -6.7791 -6.6874 -6.6874 -6.6874 -6.6874 -6.4055 -6.4055 -6.4055 -6.4055 -5.5743 -5.5743 -5.5743 -5.5743 -5.2432 -5.2432 -5.2432 -5.2432 -5.2216 -5.2216 -5.2216 -5.2216 -4.9919 -4.9919 -4.9919 -4.9919 -4.8821 -4.8821 -4.8821 -4.8821 -4.7436 -4.7436 -4.7436 -4.7436 2.1532 2.1532 2.1544 2.1544 2.1724 2.1724 2.1735 2.1735 2.2457 2.2457 2.2469 2.2469 4.0597 4.0597 4.0597 4.0597 4.5602 4.5602 4.5602 4.5602 4.9858 4.9858 4.9858 4.9858 5.9601 5.9601 5.9601 5.9601 k = 0.2222 0.3849 0.5838 ( 40948 PWs) bands (ev): -17.8989 -17.8989 -17.8989 -17.8989 -17.7374 -17.7374 -17.7374 -17.7374 -17.7369 -17.7369 -17.7368 -17.7368 -12.1742 -12.1742 -12.1727 -12.1727 -6.7796 -6.7796 -6.7796 -6.7796 -6.6877 -6.6877 -6.6877 -6.6877 -6.4047 -6.4047 -6.4047 -6.4047 -5.5756 -5.5756 -5.5756 -5.5756 -5.2442 -5.2442 -5.2442 -5.2442 -5.2205 -5.2205 -5.2205 -5.2205 -4.9922 -4.9922 -4.9922 -4.9922 -4.8816 -4.8816 -4.8815 -4.8815 -4.7419 -4.7419 -4.7419 -4.7419 2.1519 2.1519 2.1531 2.1531 2.1712 2.1712 2.1724 2.1724 2.2420 2.2420 2.2431 2.2431 4.0222 4.0222 4.0222 4.0222 4.6017 4.6017 4.6017 4.6017 5.0292 5.0292 5.0292 5.0292 5.9306 5.9306 5.9306 5.9306 k = 0.2083 0.3608 0.5838 ( 40960 PWs) bands (ev): -17.8990 -17.8990 -17.8990 -17.8990 -17.7374 -17.7374 -17.7373 -17.7373 -17.7368 -17.7368 -17.7368 -17.7368 -12.1742 -12.1742 -12.1727 -12.1727 -6.7802 -6.7802 -6.7802 -6.7802 -6.6881 -6.6881 -6.6881 -6.6881 -6.4039 -6.4039 -6.4039 -6.4039 -5.5771 -5.5771 -5.5771 -5.5771 -5.2451 -5.2451 -5.2451 -5.2451 -5.2195 -5.2195 -5.2195 -5.2195 -4.9924 -4.9924 -4.9924 -4.9924 -4.8809 -4.8809 -4.8808 -4.8808 -4.7400 -4.7400 -4.7400 -4.7400 2.1509 2.1509 2.1520 2.1520 2.1699 2.1699 2.1710 2.1710 2.2374 2.2374 2.2386 2.2386 3.9863 3.9863 3.9864 3.9864 4.6447 4.6447 4.6447 4.6447 5.0753 5.0753 5.0754 5.0754 5.9026 5.9026 5.9026 5.9026 k = 0.1944 0.3368 0.5838 ( 40990 PWs) bands (ev): -17.8991 -17.8991 -17.8991 -17.8991 -17.7373 -17.7373 -17.7373 -17.7373 -17.7367 -17.7367 -17.7367 -17.7367 -12.1742 -12.1742 -12.1727 -12.1727 -6.7808 -6.7808 -6.7808 -6.7808 -6.6886 -6.6886 -6.6885 -6.6885 -6.4030 -6.4030 -6.4030 -6.4030 -5.5787 -5.5787 -5.5787 -5.5787 -5.2460 -5.2460 -5.2460 -5.2460 -5.2185 -5.2185 -5.2185 -5.2185 -4.9927 -4.9927 -4.9927 -4.9927 -4.8801 -4.8801 -4.8801 -4.8801 -4.7380 -4.7380 -4.7380 -4.7380 2.1500 2.1500 2.1512 2.1512 2.1683 2.1683 2.1695 2.1695 2.2321 2.2321 2.2333 2.2333 3.9524 3.9524 3.9524 3.9524 4.6890 4.6890 4.6891 4.6891 5.1238 5.1238 5.1238 5.1238 5.8763 5.8763 5.8763 5.8763 k = 0.1806 0.3127 0.5838 ( 40966 PWs) bands (ev): -17.8993 -17.8993 -17.8993 -17.8993 -17.7372 -17.7372 -17.7372 -17.7372 -17.7367 -17.7367 -17.7367 -17.7367 -12.1742 -12.1742 -12.1727 -12.1727 -6.7814 -6.7814 -6.7814 -6.7814 -6.6890 -6.6890 -6.6890 -6.6890 -6.4021 -6.4021 -6.4020 -6.4020 -5.5804 -5.5804 -5.5804 -5.5804 -5.2468 -5.2468 -5.2468 -5.2468 -5.2177 -5.2177 -5.2177 -5.2177 -4.9930 -4.9930 -4.9930 -4.9930 -4.8792 -4.8792 -4.8792 -4.8792 -4.7359 -4.7359 -4.7359 -4.7359 2.1494 2.1494 2.1505 2.1505 2.1666 2.1666 2.1678 2.1678 2.2261 2.2261 2.2273 2.2273 3.9206 3.9206 3.9206 3.9206 4.7345 4.7345 4.7346 4.7346 5.1741 5.1741 5.1741 5.1741 5.8518 5.8518 5.8518 5.8518 k = 0.1667 0.2887 0.5838 ( 40980 PWs) bands (ev): -17.8994 -17.8994 -17.8994 -17.8994 -17.7371 -17.7371 -17.7371 -17.7371 -17.7366 -17.7366 -17.7366 -17.7366 -12.1742 -12.1742 -12.1727 -12.1727 -6.7820 -6.7820 -6.7820 -6.7820 -6.6895 -6.6895 -6.6895 -6.6895 -6.4011 -6.4011 -6.4011 -6.4011 -5.5822 -5.5822 -5.5822 -5.5822 -5.2475 -5.2475 -5.2474 -5.2474 -5.2169 -5.2169 -5.2169 -5.2169 -4.9933 -4.9933 -4.9933 -4.9933 -4.8783 -4.8783 -4.8783 -4.8783 -4.7337 -4.7337 -4.7337 -4.7337 2.1489 2.1489 2.1501 2.1501 2.1648 2.1648 2.1660 2.1660 2.2195 2.2195 2.2207 2.2207 3.8911 3.8911 3.8911 3.8911 4.7810 4.7810 4.7811 4.7811 5.2257 5.2257 5.2257 5.2257 5.8291 5.8291 5.8291 5.8291 k = 0.1528 0.2646 0.5838 ( 40952 PWs) bands (ev): -17.8995 -17.8995 -17.8995 -17.8995 -17.7370 -17.7370 -17.7370 -17.7370 -17.7366 -17.7366 -17.7366 -17.7366 -12.1742 -12.1742 -12.1727 -12.1727 -6.7827 -6.7827 -6.7826 -6.7826 -6.6900 -6.6900 -6.6900 -6.6900 -6.4001 -6.4001 -6.4001 -6.4001 -5.5840 -5.5840 -5.5840 -5.5840 -5.2481 -5.2481 -5.2480 -5.2480 -5.2163 -5.2163 -5.2163 -5.2163 -4.9936 -4.9936 -4.9936 -4.9936 -4.8774 -4.8774 -4.8774 -4.8774 -4.7314 -4.7314 -4.7314 -4.7314 2.1486 2.1486 2.1497 2.1497 2.1630 2.1630 2.1642 2.1642 2.2124 2.2124 2.2136 2.2136 3.8639 3.8639 3.8640 3.8640 4.8282 4.8282 4.8282 4.8282 5.2782 5.2782 5.2782 5.2782 5.8083 5.8083 5.8083 5.8083 k = 0.1389 0.2406 0.5838 ( 40950 PWs) bands (ev): -17.8997 -17.8997 -17.8997 -17.8997 -17.7369 -17.7369 -17.7369 -17.7369 -17.7365 -17.7365 -17.7365 -17.7365 -12.1742 -12.1742 -12.1727 -12.1727 -6.7833 -6.7833 -6.7833 -6.7833 -6.6905 -6.6905 -6.6905 -6.6905 -6.3991 -6.3991 -6.3991 -6.3991 -5.5859 -5.5859 -5.5858 -5.5858 -5.2486 -5.2486 -5.2485 -5.2485 -5.2158 -5.2158 -5.2158 -5.2158 -4.9939 -4.9939 -4.9939 -4.9939 -4.8764 -4.8764 -4.8764 -4.8764 -4.7291 -4.7291 -4.7291 -4.7291 2.1484 2.1484 2.1495 2.1495 2.1612 2.1612 2.1623 2.1623 2.2051 2.2051 2.2062 2.2062 3.8392 3.8392 3.8393 3.8393 4.8757 4.8757 4.8758 4.8758 5.3308 5.3308 5.3308 5.3308 5.7892 5.7892 5.7892 5.7892 k = 0.1250 0.2165 0.5838 ( 40946 PWs) bands (ev): -17.8998 -17.8998 -17.8998 -17.8998 -17.7368 -17.7368 -17.7368 -17.7368 -17.7365 -17.7365 -17.7365 -17.7365 -12.1742 -12.1742 -12.1727 -12.1727 -6.7839 -6.7839 -6.7839 -6.7839 -6.6910 -6.6910 -6.6910 -6.6910 -6.3981 -6.3981 -6.3981 -6.3981 -5.5876 -5.5876 -5.5876 -5.5876 -5.2490 -5.2490 -5.2490 -5.2490 -5.2155 -5.2155 -5.2155 -5.2155 -4.9941 -4.9941 -4.9941 -4.9941 -4.8755 -4.8755 -4.8754 -4.8754 -4.7268 -4.7268 -4.7268 -4.7268 2.1483 2.1483 2.1494 2.1494 2.1594 2.1594 2.1606 2.1606 2.1976 2.1976 2.1988 2.1988 3.8170 3.8170 3.8171 3.8171 4.9232 4.9232 4.9232 4.9232 5.3828 5.3828 5.3828 5.3828 5.7720 5.7720 5.7720 5.7720 k = 0.1111 0.1925 0.5838 ( 40974 PWs) bands (ev): -17.8999 -17.8999 -17.8999 -17.8999 -17.7367 -17.7367 -17.7367 -17.7367 -17.7364 -17.7364 -17.7364 -17.7364 -12.1742 -12.1742 -12.1727 -12.1727 -6.7845 -6.7845 -6.7845 -6.7845 -6.6914 -6.6914 -6.6914 -6.6914 -6.3972 -6.3972 -6.3972 -6.3972 -5.5893 -5.5893 -5.5893 -5.5893 -5.2493 -5.2493 -5.2493 -5.2493 -5.2152 -5.2152 -5.2152 -5.2152 -4.9944 -4.9944 -4.9944 -4.9944 -4.8745 -4.8745 -4.8745 -4.8745 -4.7246 -4.7246 -4.7246 -4.7246 2.1482 2.1482 2.1494 2.1494 2.1577 2.1577 2.1589 2.1589 2.1903 2.1903 2.1914 2.1914 3.7972 3.7972 3.7973 3.7973 4.9700 4.9700 4.9701 4.9701 5.4332 5.4332 5.4332 5.4332 5.7566 5.7566 5.7566 5.7566 k = 0.0972 0.1684 0.5838 ( 40974 PWs) bands (ev): -17.9001 -17.9001 -17.9000 -17.9000 -17.7366 -17.7366 -17.7366 -17.7366 -17.7364 -17.7364 -17.7364 -17.7364 -12.1742 -12.1742 -12.1728 -12.1728 -6.7851 -6.7851 -6.7851 -6.7851 -6.6919 -6.6919 -6.6919 -6.6919 -6.3963 -6.3963 -6.3963 -6.3963 -5.5909 -5.5909 -5.5909 -5.5909 -5.2496 -5.2496 -5.2495 -5.2495 -5.2150 -5.2150 -5.2150 -5.2150 -4.9946 -4.9946 -4.9946 -4.9946 -4.8737 -4.8737 -4.8737 -4.8737 -4.7226 -4.7226 -4.7226 -4.7226 2.1482 2.1482 2.1494 2.1494 2.1562 2.1562 2.1573 2.1573 2.1832 2.1832 2.1843 2.1843 3.7799 3.7799 3.7800 3.7800 5.0157 5.0157 5.0157 5.0157 5.4808 5.4808 5.4808 5.4808 5.7433 5.7433 5.7433 5.7433 k = 0.0833 0.1443 0.5838 ( 40968 PWs) bands (ev): -17.9002 -17.9002 -17.9001 -17.9001 -17.7366 -17.7366 -17.7366 -17.7366 -17.7363 -17.7363 -17.7363 -17.7363 -12.1742 -12.1742 -12.1728 -12.1728 -6.7856 -6.7856 -6.7856 -6.7856 -6.6923 -6.6923 -6.6922 -6.6922 -6.3955 -6.3955 -6.3955 -6.3955 -5.5924 -5.5924 -5.5923 -5.5923 -5.2497 -5.2497 -5.2497 -5.2497 -5.2149 -5.2149 -5.2149 -5.2149 -4.9948 -4.9948 -4.9948 -4.9948 -4.8729 -4.8729 -4.8729 -4.8729 -4.7207 -4.7207 -4.7207 -4.7207 2.1482 2.1482 2.1493 2.1493 2.1548 2.1548 2.1560 2.1560 2.1767 2.1767 2.1778 2.1778 3.7650 3.7650 3.7651 3.7651 5.0594 5.0594 5.0594 5.0594 5.5242 5.5242 5.5243 5.5243 5.7322 5.7322 5.7322 5.7322 k = 0.0694 0.1203 0.5838 ( 40970 PWs) bands (ev): -17.9003 -17.9003 -17.9002 -17.9002 -17.7365 -17.7365 -17.7365 -17.7365 -17.7363 -17.7363 -17.7363 -17.7363 -12.1742 -12.1742 -12.1728 -12.1728 -6.7861 -6.7861 -6.7861 -6.7861 -6.6926 -6.6926 -6.6926 -6.6926 -6.3948 -6.3948 -6.3948 -6.3948 -5.5937 -5.5937 -5.5936 -5.5936 -5.2499 -5.2499 -5.2499 -5.2499 -5.2148 -5.2148 -5.2148 -5.2148 -4.9950 -4.9950 -4.9950 -4.9950 -4.8722 -4.8722 -4.8722 -4.8722 -4.7190 -4.7190 -4.7190 -4.7190 2.1480 2.1480 2.1492 2.1492 2.1537 2.1537 2.1548 2.1548 2.1709 2.1709 2.1720 2.1720 3.7525 3.7525 3.7526 3.7526 5.1001 5.1001 5.1001 5.1001 5.5616 5.5616 5.5616 5.5616 5.7241 5.7241 5.7241 5.7241 k = 0.0556 0.0962 0.5838 ( 40978 PWs) bands (ev): -17.9003 -17.9003 -17.9003 -17.9003 -17.7364 -17.7364 -17.7364 -17.7364 -17.7363 -17.7363 -17.7363 -17.7363 -12.1742 -12.1742 -12.1728 -12.1728 -6.7865 -6.7865 -6.7864 -6.7864 -6.6929 -6.6929 -6.6929 -6.6929 -6.3943 -6.3943 -6.3942 -6.3942 -5.5948 -5.5948 -5.5947 -5.5947 -5.2500 -5.2500 -5.2500 -5.2500 -5.2148 -5.2148 -5.2148 -5.2148 -4.9951 -4.9951 -4.9951 -4.9951 -4.8716 -4.8716 -4.8716 -4.8716 -4.7175 -4.7175 -4.7175 -4.7175 2.1478 2.1478 2.1489 2.1489 2.1528 2.1528 2.1539 2.1539 2.1660 2.1660 2.1671 2.1671 3.7423 3.7423 3.7424 3.7424 5.1366 5.1366 5.1366 5.1366 5.5908 5.5908 5.5908 5.5908 5.7199 5.7199 5.7199 5.7199 k = 0.0417 0.0722 0.5838 ( 40990 PWs) bands (ev): -17.9004 -17.9004 -17.9004 -17.9004 -17.7364 -17.7364 -17.7364 -17.7364 -17.7362 -17.7362 -17.7362 -17.7362 -12.1742 -12.1742 -12.1728 -12.1728 -6.7868 -6.7868 -6.7868 -6.7868 -6.6931 -6.6931 -6.6931 -6.6931 -6.3938 -6.3938 -6.3938 -6.3938 -5.5956 -5.5956 -5.5956 -5.5956 -5.2501 -5.2501 -5.2500 -5.2500 -5.2148 -5.2148 -5.2148 -5.2148 -4.9952 -4.9952 -4.9952 -4.9952 -4.8711 -4.8711 -4.8711 -4.8711 -4.7164 -4.7164 -4.7164 -4.7164 2.1474 2.1474 2.1485 2.1485 2.1522 2.1522 2.1533 2.1533 2.1622 2.1622 2.1632 2.1632 3.7344 3.7344 3.7345 3.7345 5.1676 5.1676 5.1676 5.1676 5.6102 5.6102 5.6102 5.6102 5.7203 5.7203 5.7203 5.7203 k = 0.0278 0.0481 0.5838 ( 41008 PWs) bands (ev): -17.9005 -17.9005 -17.9004 -17.9004 -17.7364 -17.7364 -17.7364 -17.7364 -17.7362 -17.7362 -17.7362 -17.7362 -12.1742 -12.1742 -12.1728 -12.1728 -6.7870 -6.7870 -6.7870 -6.7870 -6.6933 -6.6933 -6.6933 -6.6933 -6.3935 -6.3935 -6.3934 -6.3934 -5.5963 -5.5963 -5.5962 -5.5962 -5.2501 -5.2501 -5.2501 -5.2501 -5.2148 -5.2148 -5.2148 -5.2148 -4.9953 -4.9953 -4.9953 -4.9953 -4.8708 -4.8708 -4.8708 -4.8708 -4.7155 -4.7155 -4.7155 -4.7155 2.1469 2.1469 2.1481 2.1481 2.1518 2.1518 2.1529 2.1529 2.1594 2.1594 2.1605 2.1605 3.7288 3.7288 3.7289 3.7289 5.1914 5.1914 5.1914 5.1914 5.6205 5.6205 5.6205 5.6205 5.7242 5.7242 5.7242 5.7242 k = 0.0139 0.0241 0.5838 ( 41016 PWs) bands (ev): -17.9005 -17.9005 -17.9005 -17.9005 -17.7364 -17.7364 -17.7363 -17.7363 -17.7362 -17.7362 -17.7362 -17.7362 -12.1742 -12.1742 -12.1728 -12.1728 -6.7871 -6.7871 -6.7871 -6.7871 -6.6934 -6.6934 -6.6934 -6.6934 -6.3932 -6.3932 -6.3932 -6.3932 -5.5967 -5.5967 -5.5966 -5.5966 -5.2501 -5.2501 -5.2501 -5.2501 -5.2148 -5.2148 -5.2148 -5.2148 -4.9953 -4.9953 -4.9953 -4.9953 -4.8706 -4.8706 -4.8705 -4.8705 -4.7150 -4.7150 -4.7150 -4.7150 2.1465 2.1465 2.1477 2.1477 2.1516 2.1516 2.1527 2.1527 2.1579 2.1579 2.1590 2.1590 3.7255 3.7255 3.7256 3.7256 5.2065 5.2065 5.2065 5.2065 5.6246 5.6246 5.6246 5.6246 5.7285 5.7285 5.7285 5.7285 k = 0.0000 0.0000 0.5838 ( 40984 PWs) bands (ev): -17.9005 -17.9005 -17.9005 -17.9005 -17.7363 -17.7363 -17.7363 -17.7363 -17.7362 -17.7362 -17.7362 -17.7362 -12.1742 -12.1742 -12.1728 -12.1728 -6.7872 -6.7872 -6.7872 -6.7872 -6.6934 -6.6934 -6.6934 -6.6934 -6.3932 -6.3932 -6.3931 -6.3931 -5.5968 -5.5968 -5.5967 -5.5967 -5.2501 -5.2501 -5.2501 -5.2501 -5.2148 -5.2148 -5.2148 -5.2148 -4.9954 -4.9954 -4.9954 -4.9954 -4.8705 -4.8705 -4.8705 -4.8705 -4.7148 -4.7148 -4.7148 -4.7148 2.1464 2.1464 2.1475 2.1475 2.1515 2.1515 2.1527 2.1527 2.1574 2.1574 2.1585 2.1585 3.7243 3.7243 3.7245 3.7245 5.2117 5.2117 5.2117 5.2117 5.6255 5.6255 5.6256 5.6256 5.7303 5.7303 5.7303 5.7303 k = 0.5000 0.2887 0.5838 ( 40932 PWs) bands (ev): -17.8987 -17.8987 -17.8987 -17.8987 -17.7377 -17.7377 -17.7377 -17.7377 -17.7367 -17.7367 -17.7367 -17.7367 -12.1742 -12.1742 -12.1727 -12.1727 -6.7790 -6.7790 -6.7790 -6.7790 -6.6868 -6.6868 -6.6868 -6.6868 -6.4061 -6.4061 -6.4061 -6.4061 -5.5731 -5.5731 -5.5730 -5.5730 -5.2429 -5.2429 -5.2429 -5.2429 -5.2217 -5.2217 -5.2217 -5.2217 -4.9918 -4.9918 -4.9918 -4.9918 -4.8836 -4.8836 -4.8836 -4.8836 -4.7444 -4.7444 -4.7444 -4.7444 2.1349 2.1349 2.1360 2.1360 2.1889 2.1889 2.1901 2.1901 2.2550 2.2550 2.2562 2.2562 4.1515 4.1515 4.1516 4.1516 4.3665 4.3665 4.3666 4.3666 5.2626 5.2626 5.2627 5.2627 5.5179 5.5179 5.5179 5.5179 k = 0.5000 0.2887 0.5560 ( 40886 PWs) bands (ev): -17.9039 -17.9039 -17.8935 -17.8935 -17.7397 -17.7397 -17.7386 -17.7386 -17.7357 -17.7357 -17.7348 -17.7348 -12.1754 -12.1754 -12.1716 -12.1716 -6.7829 -6.7829 -6.7749 -6.7749 -6.6992 -6.6992 -6.6740 -6.6740 -6.4129 -6.4129 -6.3997 -6.3997 -5.5811 -5.5811 -5.5644 -5.5644 -5.2516 -5.2516 -5.2433 -5.2433 -5.2233 -5.2233 -5.2118 -5.2118 -5.0070 -5.0070 -4.9772 -4.9772 -4.8883 -4.8883 -4.8785 -4.8785 -4.7484 -4.7484 -4.7401 -4.7401 2.1338 2.1338 2.1379 2.1379 2.1871 2.1871 2.1916 2.1916 2.2547 2.2547 2.2562 2.2562 4.1081 4.1081 4.1981 4.1981 4.3256 4.3256 4.4060 4.4060 5.2486 5.2486 5.2771 5.2771 5.5051 5.5051 5.5280 5.5280 k = 0.5000 0.2887 0.5282 ( 40924 PWs) bands (ev): -17.9090 -17.9090 -17.8884 -17.8884 -17.7416 -17.7416 -17.7405 -17.7405 -17.7338 -17.7338 -17.7330 -17.7330 -12.1771 -12.1771 -12.1700 -12.1700 -6.7866 -6.7866 -6.7705 -6.7705 -6.7111 -6.7111 -6.6608 -6.6608 -6.4200 -6.4200 -6.3936 -6.3936 -5.5885 -5.5885 -5.5554 -5.5554 -5.2621 -5.2621 -5.2537 -5.2537 -5.2153 -5.2153 -5.2007 -5.2007 -5.0227 -5.0227 -4.9633 -4.9633 -4.8929 -4.8929 -4.8733 -4.8733 -4.7524 -4.7524 -4.7358 -4.7358 2.1329 2.1329 2.1409 2.1409 2.1845 2.1845 2.1933 2.1933 2.2540 2.2540 2.2561 2.2561 4.0676 4.0676 4.2475 4.2475 4.2835 4.2835 4.4437 4.4437 5.2363 5.2363 5.2897 5.2897 5.4916 5.4916 5.5347 5.5347 k = 0.5000 0.2887 0.5004 ( 40912 PWs) bands (ev): -17.9141 -17.9141 -17.8832 -17.8832 -17.7436 -17.7436 -17.7424 -17.7424 -17.7318 -17.7318 -17.7311 -17.7311 -12.1789 -12.1789 -12.1684 -12.1684 -6.7900 -6.7900 -6.7660 -6.7660 -6.7225 -6.7225 -6.6473 -6.6473 -6.4272 -6.4272 -6.3880 -6.3880 -5.5951 -5.5951 -5.5459 -5.5459 -5.2732 -5.2732 -5.2664 -5.2664 -5.2057 -5.2057 -5.1898 -5.1898 -5.0387 -5.0387 -4.9503 -4.9503 -4.8972 -4.8972 -4.8679 -4.8679 -4.7561 -4.7561 -4.7314 -4.7314 2.1328 2.1328 2.1445 2.1445 2.1818 2.1818 2.1948 2.1948 2.2529 2.2529 2.2557 2.2557 4.0302 4.0302 4.2401 4.2401 4.3003 4.3003 4.4794 4.4794 5.2266 5.2266 5.2969 5.2969 5.4808 5.4808 5.5379 5.5379 k = 0.5000 0.2887 0.4726 ( 40920 PWs) bands (ev): -17.9191 -17.9191 -17.8782 -17.8782 -17.7455 -17.7455 -17.7442 -17.7442 -17.7299 -17.7299 -17.7293 -17.7293 -12.1807 -12.1807 -12.1668 -12.1668 -6.7931 -6.7931 -6.7613 -6.7613 -6.7334 -6.7334 -6.6336 -6.6336 -6.4347 -6.4347 -6.3828 -6.3828 -5.6009 -5.6009 -5.5362 -5.5362 -5.2847 -5.2847 -5.2796 -5.2796 -5.1958 -5.1958 -5.1793 -5.1793 -5.0548 -5.0548 -4.9382 -4.9382 -4.9012 -4.9012 -4.8622 -4.8622 -4.7596 -4.7596 -4.7269 -4.7269 2.1332 2.1332 2.1487 2.1487 2.1789 2.1789 2.1959 2.1959 2.2517 2.2517 2.2551 2.2551 3.9958 3.9958 4.1965 4.1965 4.3555 4.3555 4.5131 4.5131 5.2196 5.2196 5.2945 5.2945 5.4768 5.4768 5.5380 5.5380 k = 0.5000 0.2887 0.4448 ( 40900 PWs) bands (ev): -17.9239 -17.9239 -17.8732 -17.8732 -17.7473 -17.7473 -17.7460 -17.7460 -17.7281 -17.7281 -17.7275 -17.7275 -12.1825 -12.1825 -12.1653 -12.1653 -6.7959 -6.7959 -6.7566 -6.7566 -6.7437 -6.7437 -6.6196 -6.6196 -6.4422 -6.4422 -6.3782 -6.3782 -5.6058 -5.6058 -5.5264 -5.5264 -5.2965 -5.2965 -5.2931 -5.2931 -5.1860 -5.1860 -5.1693 -5.1693 -5.0709 -5.0709 -4.9271 -4.9271 -4.9049 -4.9049 -4.8565 -4.8565 -4.7628 -4.7628 -4.7225 -4.7225 2.1342 2.1342 2.1532 2.1532 2.1761 2.1761 2.1969 2.1969 2.2504 2.2504 2.2543 2.2543 3.9644 3.9644 4.1525 4.1525 4.4134 4.4134 4.5446 4.5446 5.2156 5.2156 5.2806 5.2806 5.4815 5.4815 5.5356 5.5356 k = 0.5000 0.2887 0.4170 ( 40910 PWs) bands (ev): -17.9286 -17.9286 -17.8684 -17.8684 -17.7491 -17.7491 -17.7477 -17.7477 -17.7263 -17.7263 -17.7257 -17.7257 -12.1843 -12.1843 -12.1639 -12.1639 -6.7985 -6.7985 -6.7535 -6.7535 -6.7517 -6.7517 -6.6056 -6.6056 -6.4498 -6.4498 -6.3742 -6.3742 -5.6098 -5.6098 -5.5165 -5.5165 -5.3085 -5.3085 -5.3067 -5.3067 -5.1764 -5.1764 -5.1599 -5.1599 -5.0869 -5.0869 -4.9172 -4.9172 -4.9082 -4.9082 -4.8506 -4.8506 -4.7659 -4.7659 -4.7181 -4.7181 2.1356 2.1356 2.1579 2.1579 2.1735 2.1735 2.1978 2.1978 2.2489 2.2489 2.2532 2.2532 3.9358 3.9358 4.1087 4.1087 4.4738 4.4738 4.5740 4.5740 5.2143 5.2143 5.2574 5.2574 5.4926 5.4926 5.5315 5.5315 k = 0.5000 0.2887 0.3892 ( 40918 PWs) bands (ev): -17.9331 -17.9331 -17.8637 -17.8637 -17.7509 -17.7509 -17.7494 -17.7494 -17.7245 -17.7245 -17.7240 -17.7240 -12.1860 -12.1860 -12.1625 -12.1625 -6.8008 -6.8008 -6.7624 -6.7624 -6.7470 -6.7470 -6.5915 -6.5915 -6.4573 -6.4573 -6.3707 -6.3707 -5.6128 -5.6128 -5.5067 -5.5067 -5.3209 -5.3209 -5.3202 -5.3202 -5.1671 -5.1671 -5.1510 -5.1510 -5.1025 -5.1025 -4.9124 -4.9124 -4.9072 -4.9072 -4.8448 -4.8448 -4.7686 -4.7686 -4.7137 -4.7137 2.1370 2.1370 2.1623 2.1623 2.1714 2.1714 2.1989 2.1989 2.2476 2.2476 2.2520 2.2520 3.9100 3.9100 4.0654 4.0654 4.5364 4.5364 4.6014 4.6014 5.2136 5.2136 5.2300 5.2300 5.5062 5.5062 5.5263 5.5263 k = 0.5000 0.2887 0.3614 ( 40916 PWs) bands (ev): -17.9374 -17.9374 -17.8592 -17.8592 -17.7525 -17.7525 -17.7510 -17.7510 -17.7228 -17.7228 -17.7224 -17.7224 -12.1878 -12.1878 -12.1613 -12.1613 -6.8028 -6.8028 -6.7709 -6.7709 -6.7422 -6.7422 -6.5775 -6.5775 -6.4647 -6.4647 -6.3679 -6.3679 -5.6148 -5.6148 -5.4971 -5.4971 -5.3336 -5.3336 -5.3335 -5.3335 -5.1580 -5.1580 -5.1427 -5.1427 -5.1176 -5.1176 -4.9150 -4.9150 -4.8997 -4.8997 -4.8390 -4.8390 -4.7710 -4.7710 -4.7096 -4.7096 2.1381 2.1381 2.1658 2.1658 2.1707 2.1707 2.2002 2.2002 2.2464 2.2464 2.2506 2.2506 3.8868 3.8868 4.0230 4.0230 4.6010 4.6010 4.6269 4.6269 5.1919 5.1919 5.2226 5.2226 5.5162 5.5162 5.5235 5.5235 k = 0.5000 0.2887 0.3336 ( 40922 PWs) bands (ev): -17.9415 -17.9415 -17.8550 -17.8550 -17.7541 -17.7541 -17.7525 -17.7525 -17.7212 -17.7212 -17.7209 -17.7209 -12.1894 -12.1894 -12.1601 -12.1601 -6.8045 -6.8045 -6.7786 -6.7786 -6.7375 -6.7375 -6.5635 -6.5635 -6.4720 -6.4720 -6.3658 -6.3658 -5.6157 -5.6157 -5.4878 -5.4878 -5.3467 -5.3467 -5.3463 -5.3463 -5.1493 -5.1493 -5.1352 -5.1352 -5.1318 -5.1318 -4.9176 -4.9176 -4.8927 -4.8927 -4.8336 -4.8336 -4.7730 -4.7730 -4.7055 -4.7055 2.1386 2.1386 2.1675 2.1675 2.1718 2.1718 2.2022 2.2022 2.2455 2.2455 2.2491 2.2491 3.8661 3.8661 3.9818 3.9818 4.6497 4.6497 4.6682 4.6682 5.1585 5.1585 5.2275 5.2275 5.5119 5.5119 5.5317 5.5317 k = 0.5000 0.2887 0.3058 ( 40924 PWs) bands (ev): -17.9453 -17.9453 -17.8510 -17.8510 -17.7556 -17.7556 -17.7539 -17.7539 -17.7197 -17.7197 -17.7194 -17.7194 -12.1910 -12.1910 -12.1590 -12.1590 -6.8060 -6.8060 -6.7857 -6.7857 -6.7330 -6.7330 -6.5498 -6.5498 -6.4790 -6.4790 -6.3642 -6.3642 -5.6156 -5.6156 -5.4789 -5.4789 -5.3600 -5.3600 -5.3588 -5.3588 -5.1460 -5.1460 -5.1410 -5.1410 -5.1275 -5.1275 -4.9200 -4.9200 -4.8866 -4.8866 -4.8286 -4.8286 -4.7746 -4.7746 -4.7017 -4.7017 2.1382 2.1382 2.1688 2.1688 2.1735 2.1735 2.2047 2.2047 2.2451 2.2451 2.2477 2.2477 3.8476 3.8476 3.9423 3.9423 4.6720 4.6720 4.7359 4.7359 5.1246 5.1246 5.2345 5.2345 5.5051 5.5051 5.5385 5.5385 k = 0.5000 0.2887 0.2780 ( 40946 PWs) bands (ev): -17.9489 -17.9489 -17.8472 -17.8472 -17.7570 -17.7570 -17.7553 -17.7553 -17.7183 -17.7183 -17.7181 -17.7181 -12.1925 -12.1925 -12.1580 -12.1580 -6.8073 -6.8073 -6.7921 -6.7921 -6.7286 -6.7286 -6.5364 -6.5364 -6.4856 -6.4856 -6.3634 -6.3634 -5.6144 -5.6144 -5.4705 -5.4705 -5.3734 -5.3734 -5.3706 -5.3706 -5.1587 -5.1587 -5.1334 -5.1334 -5.1207 -5.1207 -4.9222 -4.9222 -4.8813 -4.8813 -4.8241 -4.8241 -4.7758 -4.7758 -4.6981 -4.6981 2.1370 2.1370 2.1707 2.1707 2.1746 2.1746 2.2076 2.2076 2.2451 2.2451 2.2465 2.2465 3.8313 3.8313 3.9048 3.9048 4.6925 4.6925 4.8050 4.8050 5.0916 5.0916 5.2425 5.2425 5.4981 5.4981 5.5415 5.5415 k = 0.5000 0.2887 0.2502 ( 40950 PWs) bands (ev): -17.9522 -17.9522 -17.8437 -17.8437 -17.7583 -17.7583 -17.7565 -17.7565 -17.7170 -17.7170 -17.7169 -17.7169 -12.1939 -12.1939 -12.1571 -12.1571 -6.8084 -6.8084 -6.7978 -6.7978 -6.7245 -6.7245 -6.5233 -6.5233 -6.4919 -6.4919 -6.3633 -6.3633 -5.6122 -5.6122 -5.4628 -5.4628 -5.3870 -5.3870 -5.3817 -5.3817 -5.1704 -5.1704 -5.1264 -5.1264 -5.1143 -5.1143 -4.9241 -4.9241 -4.8766 -4.8766 -4.8204 -4.8204 -4.7765 -4.7765 -4.6948 -4.6948 2.1352 2.1352 2.1726 2.1726 2.1756 2.1756 2.2104 2.2104 2.2444 2.2444 2.2471 2.2471 3.8167 3.8167 3.8699 3.8699 4.7117 4.7117 4.8749 4.8749 5.0603 5.0603 5.2510 5.2510 5.4909 5.4909 5.5410 5.5410 k = 0.5000 0.2887 0.2224 ( 40952 PWs) bands (ev): -17.9552 -17.9552 -17.8405 -17.8405 -17.7594 -17.7594 -17.7576 -17.7576 -17.7159 -17.7159 -17.7157 -17.7157 -12.1952 -12.1952 -12.1563 -12.1563 -6.8094 -6.8094 -6.8028 -6.8028 -6.7207 -6.7207 -6.5108 -6.5108 -6.4977 -6.4977 -6.3638 -6.3638 -5.6090 -5.6090 -5.4558 -5.4558 -5.4007 -5.4007 -5.3918 -5.3918 -5.1810 -5.1810 -5.1202 -5.1202 -5.1083 -5.1083 -4.9258 -4.9258 -4.8727 -4.8727 -4.8175 -4.8175 -4.7766 -4.7766 -4.6917 -4.6917 2.1331 2.1331 2.1729 2.1729 2.1781 2.1781 2.2128 2.2128 2.2432 2.2432 2.2492 2.2492 3.8032 3.8032 3.8385 3.8385 4.7295 4.7295 4.9451 4.9451 5.0315 5.0315 5.2595 5.2595 5.4839 5.4839 5.5378 5.5378 k = 0.5000 0.2887 0.1946 ( 40934 PWs) bands (ev): -17.9579 -17.9579 -17.8377 -17.8377 -17.7605 -17.7605 -17.7586 -17.7586 -17.7148 -17.7148 -17.7147 -17.7147 -12.1964 -12.1964 -12.1556 -12.1556 -6.8107 -6.8107 -6.8067 -6.8067 -6.7171 -6.7171 -6.5034 -6.5034 -6.4983 -6.4983 -6.3649 -6.3649 -5.6049 -5.6049 -5.4497 -5.4497 -5.4142 -5.4142 -5.4009 -5.4009 -5.1905 -5.1905 -5.1147 -5.1147 -5.1027 -5.1027 -4.9273 -4.9273 -4.8693 -4.8693 -4.8155 -4.8155 -4.7763 -4.7763 -4.6890 -4.6890 2.1309 2.1309 2.1722 2.1722 2.1812 2.1812 2.2144 2.2144 2.2421 2.2421 2.2522 2.2522 3.7892 3.7892 3.8123 3.8123 4.7459 4.7459 5.0016 5.0016 5.0192 5.0192 5.2677 5.2677 5.4771 5.4771 5.5328 5.5328 k = 0.5000 0.2887 0.1668 ( 40970 PWs) bands (ev): -17.9602 -17.9602 -17.8352 -17.8352 -17.7614 -17.7614 -17.7595 -17.7595 -17.7139 -17.7139 -17.7138 -17.7138 -12.1974 -12.1974 -12.1550 -12.1550 -6.8129 -6.8129 -6.8088 -6.8088 -6.7140 -6.7140 -6.5079 -6.5079 -6.4873 -6.4873 -6.3666 -6.3666 -5.6000 -5.6000 -5.4447 -5.4447 -5.4274 -5.4274 -5.4086 -5.4086 -5.1987 -5.1987 -5.1101 -5.1101 -5.0975 -5.0975 -4.9285 -4.9285 -4.8664 -4.8664 -4.8141 -4.8141 -4.7756 -4.7756 -4.6866 -4.6866 2.1287 2.1287 2.1712 2.1712 2.1844 2.1844 2.2154 2.2154 2.2412 2.2412 2.2558 2.2558 3.7712 3.7712 3.7951 3.7951 4.7609 4.7609 4.9808 4.9808 5.0866 5.0866 5.2753 5.2753 5.4707 5.4707 5.5268 5.5268 k = 0.5000 0.2887 0.1390 ( 40934 PWs) bands (ev): -17.9622 -17.9622 -17.8330 -17.8330 -17.7622 -17.7622 -17.7603 -17.7603 -17.7131 -17.7131 -17.7130 -17.7130 -12.1983 -12.1983 -12.1545 -12.1545 -6.8156 -6.8156 -6.8098 -6.8098 -6.7113 -6.7113 -6.5120 -6.5120 -6.4770 -6.4770 -6.3687 -6.3687 -5.5945 -5.5945 -5.4428 -5.4428 -5.4384 -5.4384 -5.4145 -5.4145 -5.2056 -5.2056 -5.1063 -5.1063 -5.0929 -5.0929 -4.9295 -4.9295 -4.8640 -4.8640 -4.8133 -4.8133 -4.7746 -4.7746 -4.6845 -4.6845 2.1268 2.1268 2.1701 2.1701 2.1872 2.1872 2.2160 2.2160 2.2405 2.2405 2.2596 2.2596 3.7511 3.7511 3.7851 3.7851 4.7742 4.7742 4.9608 4.9608 5.1555 5.1555 5.2821 5.2821 5.4649 5.4649 5.5206 5.5206 k = 0.5000 0.2887 0.1112 ( 40944 PWs) bands (ev): -17.9639 -17.9639 -17.8313 -17.8313 -17.7628 -17.7628 -17.7609 -17.7609 -17.7125 -17.7125 -17.7124 -17.7124 -12.1990 -12.1990 -12.1540 -12.1540 -6.8181 -6.8181 -6.8102 -6.8102 -6.7090 -6.7090 -6.5154 -6.5154 -6.4677 -6.4677 -6.3711 -6.3711 -5.5887 -5.5887 -5.4527 -5.4527 -5.4385 -5.4385 -5.4183 -5.4183 -5.2113 -5.2113 -5.1033 -5.1033 -5.0890 -5.0890 -4.9303 -4.9303 -4.8621 -4.8621 -4.8130 -4.8130 -4.7736 -4.7736 -4.6828 -4.6828 2.1252 2.1252 2.1690 2.1690 2.1896 2.1896 2.2163 2.2163 2.2400 2.2400 2.2631 2.2631 3.7330 3.7330 3.7783 3.7783 4.7856 4.7856 4.9442 4.9442 5.2224 5.2224 5.2885 5.2885 5.4599 5.4599 5.5146 5.5146 k = 0.5000 0.2887 0.0834 ( 40932 PWs) bands (ev): -17.9652 -17.9652 -17.8299 -17.8299 -17.7633 -17.7633 -17.7614 -17.7614 -17.7120 -17.7120 -17.7119 -17.7119 -12.1996 -12.1996 -12.1537 -12.1537 -6.8200 -6.8200 -6.8105 -6.8105 -6.7072 -6.7072 -6.5182 -6.5182 -6.4598 -6.4598 -6.3737 -6.3737 -5.5830 -5.5830 -5.4631 -5.4631 -5.4387 -5.4387 -5.4198 -5.4198 -5.2158 -5.2158 -5.1009 -5.1009 -5.0858 -5.0858 -4.9310 -4.9310 -4.8606 -4.8606 -4.8128 -4.8128 -4.7727 -4.7727 -4.6815 -4.6815 2.1238 2.1238 2.1681 2.1681 2.1915 2.1915 2.2164 2.2164 2.2397 2.2397 2.2661 2.2661 3.7183 3.7183 3.7735 3.7735 4.7949 4.7949 4.9311 4.9311 5.2785 5.2785 5.3025 5.3025 5.4559 5.4559 5.5095 5.5095 k = 0.5000 0.2887 0.0556 ( 40920 PWs) bands (ev): -17.9661 -17.9661 -17.8289 -17.8289 -17.7637 -17.7637 -17.7617 -17.7617 -17.7116 -17.7116 -17.7115 -17.7115 -12.2001 -12.2001 -12.1535 -12.1535 -6.8214 -6.8214 -6.8107 -6.8107 -6.7059 -6.7059 -6.5201 -6.5201 -6.4537 -6.4537 -6.3759 -6.3759 -5.5779 -5.5779 -5.4716 -5.4716 -5.4398 -5.4398 -5.4199 -5.4199 -5.2189 -5.2189 -5.0993 -5.0993 -5.0834 -5.0834 -4.9314 -4.9314 -4.8596 -4.8596 -4.8129 -4.8129 -4.7720 -4.7720 -4.6806 -4.6806 2.1229 2.1229 2.1674 2.1674 2.1928 2.1928 2.2165 2.2165 2.2395 2.2395 2.2684 2.2684 3.7076 3.7076 3.7702 3.7702 4.8017 4.8017 4.9216 4.9216 5.2909 5.2909 5.3553 5.3553 5.4531 5.4531 5.5056 5.5056 k = 0.5000 0.2887 0.0278 ( 40924 PWs) bands (ev): -17.9667 -17.9667 -17.8283 -17.8283 -17.7639 -17.7639 -17.7619 -17.7619 -17.7114 -17.7114 -17.7113 -17.7113 -12.2003 -12.2003 -12.1533 -12.1533 -6.8223 -6.8223 -6.8108 -6.8108 -6.7051 -6.7051 -6.5213 -6.5213 -6.4498 -6.4498 -6.3775 -6.3775 -5.5744 -5.5744 -5.4773 -5.4773 -5.4409 -5.4409 -5.4195 -5.4195 -5.2208 -5.2208 -5.0983 -5.0983 -5.0820 -5.0820 -4.9317 -4.9317 -4.8589 -4.8589 -4.8129 -4.8129 -4.7716 -4.7716 -4.6800 -4.6800 2.1223 2.1223 2.1670 2.1670 2.1936 2.1936 2.2165 2.2165 2.2394 2.2394 2.2699 2.2699 3.7010 3.7010 3.7683 3.7683 4.8059 4.8059 4.9159 4.9159 5.2936 5.2936 5.4088 5.4088 5.4520 5.4520 5.5031 5.5031 k = 0.5000 0.2887-0.0000 ( 40940 PWs) bands (ev): -17.9669 -17.9669 -17.8281 -17.8281 -17.7640 -17.7640 -17.7620 -17.7620 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1533 -12.1533 -6.8226 -6.8226 -6.8108 -6.8108 -6.7048 -6.7048 -6.5217 -6.5217 -6.4484 -6.4484 -6.3781 -6.3781 -5.5731 -5.5731 -5.4793 -5.4793 -5.4413 -5.4413 -5.4194 -5.4194 -5.2215 -5.2215 -5.0980 -5.0980 -5.0815 -5.0815 -4.9318 -4.9318 -4.8587 -4.8587 -4.8129 -4.8129 -4.7714 -4.7714 -4.6798 -4.6798 2.1221 2.1221 2.1669 2.1669 2.1939 2.1939 2.2165 2.2165 2.2394 2.2394 2.2703 2.2703 3.6989 3.6989 3.7677 3.7677 4.8074 4.8074 4.9140 4.9140 5.2944 5.2944 5.4349 5.4349 5.4537 5.4537 5.5022 5.5022 k = 0.3333 0.5774-0.0000 ( 40962 PWs) bands (ev): -17.9665 -17.9665 -17.8280 -17.8280 -17.7634 -17.7634 -17.7631 -17.7631 -17.7113 -17.7113 -17.7112 -17.7112 -12.2004 -12.2004 -12.1532 -12.1532 -6.8227 -6.8227 -6.8108 -6.8108 -6.7029 -6.7029 -6.5226 -6.5226 -6.4466 -6.4466 -6.3811 -6.3811 -5.5743 -5.5743 -5.4789 -5.4789 -5.4374 -5.4374 -5.4222 -5.4222 -5.2195 -5.2195 -5.0913 -5.0913 -5.0838 -5.0838 -4.9324 -4.9324 -4.8572 -4.8572 -4.8045 -4.8045 -4.7898 -4.7898 -4.6779 -4.6779 2.1282 2.1282 2.1727 2.1727 2.1790 2.1790 2.2210 2.2210 2.2314 2.2314 2.2446 2.2446 3.8567 3.8567 3.9063 3.9063 4.2494 4.2494 4.9796 4.9796 5.3528 5.3528 5.3604 5.3604 5.4875 5.4875 5.5031 5.5031 k = 0.3333 0.5774 0.0278 ( 40932 PWs) bands (ev): -17.9663 -17.9663 -17.8282 -17.8282 -17.7633 -17.7633 -17.7631 -17.7631 -17.7114 -17.7114 -17.7113 -17.7113 -12.2003 -12.2003 -12.1532 -12.1532 -6.8224 -6.8224 -6.8108 -6.8108 -6.7032 -6.7032 -6.5222 -6.5222 -6.4480 -6.4480 -6.3804 -6.3804 -5.5755 -5.5755 -5.4769 -5.4769 -5.4367 -5.4367 -5.4226 -5.4226 -5.2188 -5.2188 -5.0916 -5.0916 -5.0843 -5.0843 -4.9323 -4.9323 -4.8574 -4.8574 -4.8043 -4.8043 -4.7901 -4.7901 -4.6781 -4.6781 2.1282 2.1282 2.1719 2.1719 2.1796 2.1796 2.2209 2.2209 2.2312 2.2312 2.2451 2.2451 3.8576 3.8576 3.9072 3.9072 4.2515 4.2515 4.9794 4.9794 5.3416 5.3416 5.3474 5.3474 5.4982 5.4982 5.5120 5.5120 k = 0.3333 0.5774 0.0556 ( 40929 PWs) bands (ev): -17.9658 -17.9658 -17.8288 -17.8288 -17.7631 -17.7631 -17.7629 -17.7629 -17.7116 -17.7116 -17.7115 -17.7115 -12.2000 -12.2000 -12.1534 -12.1534 -6.8216 -6.8216 -6.8107 -6.8107 -6.7040 -6.7040 -6.5210 -6.5210 -6.4521 -6.4521 -6.3787 -6.3787 -5.5789 -5.5789 -5.4714 -5.4714 -5.4346 -5.4346 -5.4240 -5.4240 -5.2170 -5.2170 -5.0926 -5.0926 -5.0858 -5.0858 -4.9320 -4.9320 -4.8579 -4.8579 -4.8039 -4.8039 -4.7909 -4.7909 -4.6787 -4.6787 2.1280 2.1280 2.1696 2.1696 2.1812 2.1812 2.2209 2.2209 2.2308 2.2308 2.2465 2.2465 3.8602 3.8602 3.9096 3.9096 4.2577 4.2577 4.9788 4.9788 5.3132 5.3132 5.3161 5.3161 5.5226 5.5226 5.5336 5.5336 k = 0.3333 0.5774 0.0834 ( 40950 PWs) bands (ev): -17.9649 -17.9649 -17.8298 -17.8298 -17.7627 -17.7627 -17.7625 -17.7625 -17.7120 -17.7120 -17.7119 -17.7119 -12.1996 -12.1996 -12.1536 -12.1536 -6.8201 -6.8201 -6.8105 -6.8105 -6.7053 -6.7053 -6.5191 -6.5191 -6.4584 -6.4584 -6.3763 -6.3763 -5.5837 -5.5837 -5.4632 -5.4632 -5.4311 -5.4311 -5.4262 -5.4262 -5.2138 -5.2138 -5.0942 -5.0942 -5.0884 -5.0884 -4.9316 -4.9316 -4.8589 -4.8589 -4.8031 -4.8031 -4.7924 -4.7924 -4.6797 -4.6797 2.1278 2.1278 2.1667 2.1667 2.1830 2.1830 2.2208 2.2208 2.2301 2.2301 2.2488 2.2488 3.8645 3.8645 3.9137 3.9137 4.2679 4.2679 4.9778 4.9778 5.2752 5.2752 5.2758 5.2758 5.5518 5.5518 5.5608 5.5608 k = 0.3333 0.5774 0.1112 ( 40959 PWs) bands (ev): -17.9636 -17.9636 -17.8312 -17.8312 -17.7622 -17.7622 -17.7620 -17.7620 -17.7125 -17.7125 -17.7124 -17.7124 -12.1990 -12.1990 -12.1540 -12.1540 -6.8180 -6.8180 -6.8103 -6.8103 -6.7071 -6.7071 -6.5164 -6.5164 -6.4664 -6.4664 -6.3736 -6.3736 -5.5892 -5.5892 -5.4531 -5.4531 -5.4290 -5.4290 -5.4262 -5.4262 -5.2094 -5.2094 -5.0965 -5.0965 -5.0919 -5.0919 -4.9310 -4.9310 -4.8603 -4.8603 -4.8021 -4.8021 -4.7944 -4.7944 -4.6812 -4.6812 2.1276 2.1276 2.1637 2.1637 2.1846 2.1846 2.2206 2.2206 2.2295 2.2295 2.2515 2.2515 3.8706 3.8706 3.9195 3.9195 4.2821 4.2821 4.9764 4.9764 5.2303 5.2303 5.2315 5.2315 5.5823 5.5823 5.5899 5.5899 k = 0.3333 0.5774 0.1390 ( 40956 PWs) bands (ev): -17.9619 -17.9619 -17.8329 -17.8329 -17.7616 -17.7616 -17.7614 -17.7614 -17.7131 -17.7131 -17.7130 -17.7130 -12.1983 -12.1983 -12.1544 -12.1544 -6.8153 -6.8153 -6.8100 -6.8100 -6.7094 -6.7094 -6.5130 -6.5130 -6.4758 -6.4758 -6.3710 -6.3710 -5.5948 -5.5948 -5.4429 -5.4429 -5.4316 -5.4316 -5.4201 -5.4201 -5.2038 -5.2038 -5.0994 -5.0994 -5.0963 -5.0963 -4.9302 -4.9302 -4.8622 -4.8622 -4.8007 -4.8007 -4.7970 -4.7970 -4.6830 -4.6830 2.1275 2.1275 2.1607 2.1607 2.1861 2.1861 2.2202 2.2202 2.2290 2.2290 2.2544 2.2544 3.8786 3.8786 3.9271 3.9271 4.3000 4.3000 4.9749 4.9749 5.1813 5.1813 5.1839 5.1839 5.6132 5.6132 5.6197 5.6197 k = 0.3333 0.5774 0.1668 ( 40905 PWs) bands (ev): -17.9599 -17.9599 -17.8351 -17.8351 -17.7608 -17.7608 -17.7606 -17.7606 -17.7139 -17.7139 -17.7138 -17.7138 -12.1974 -12.1974 -12.1549 -12.1549 -6.8120 -6.8120 -6.8096 -6.8096 -6.7121 -6.7121 -6.5089 -6.5089 -6.4863 -6.4863 -6.3688 -6.3688 -5.6000 -5.6000 -5.4408 -5.4408 -5.4260 -5.4260 -5.4128 -5.4128 -5.1969 -5.1969 -5.1029 -5.1029 -5.1015 -5.1015 -4.9292 -4.9292 -4.8645 -4.8645 -4.8002 -4.8002 -4.7992 -4.7992 -4.6853 -4.6853 2.1274 2.1274 2.1578 2.1578 2.1874 2.1874 2.2197 2.2197 2.2287 2.2287 2.2573 2.2573 3.8885 3.8885 3.9364 3.9364 4.3213 4.3213 4.9730 4.9730 5.1296 5.1296 5.1334 5.1334 5.6441 5.6441 5.6498 5.6498 k = 0.3333 0.5774 0.1946 ( 40908 PWs) bands (ev): -17.9576 -17.9576 -17.8376 -17.8376 -17.7599 -17.7599 -17.7597 -17.7597 -17.7148 -17.7148 -17.7147 -17.7147 -12.1964 -12.1964 -12.1555 -12.1555 -6.8090 -6.8090 -6.8081 -6.8081 -6.7152 -6.7152 -6.5043 -6.5043 -6.4976 -6.4976 -6.3670 -6.3670 -5.6046 -5.6046 -5.4456 -5.4456 -5.4137 -5.4137 -5.4043 -5.4043 -5.1888 -5.1888 -5.1075 -5.1075 -5.1070 -5.1070 -4.9280 -4.9280 -4.8673 -4.8673 -4.8040 -4.8040 -4.7973 -4.7973 -4.6879 -4.6879 2.1276 2.1276 2.1551 2.1551 2.1886 2.1886 2.2189 2.2189 2.2283 2.2283 2.2602 2.2602 3.9003 3.9003 3.9476 3.9476 4.3459 4.3459 4.9710 4.9710 5.0757 5.0757 5.0806 5.0806 5.6752 5.6752 5.6802 5.6802 k = 0.3333 0.5774 0.2224 ( 40908 PWs) bands (ev): -17.9549 -17.9549 -17.8404 -17.8404 -17.7589 -17.7589 -17.7587 -17.7587 -17.7158 -17.7158 -17.7157 -17.7157 -12.1952 -12.1952 -12.1563 -12.1563 -6.8083 -6.8083 -6.8035 -6.8035 -6.7188 -6.7188 -6.5098 -6.5098 -6.4989 -6.4989 -6.3659 -6.3659 -5.6085 -5.6085 -5.4519 -5.4519 -5.4003 -5.4003 -5.3948 -5.3948 -5.1794 -5.1794 -5.1142 -5.1142 -5.1117 -5.1117 -4.9266 -4.9266 -4.8707 -4.8707 -4.8083 -4.8083 -4.7952 -4.7952 -4.6909 -4.6909 2.1280 2.1280 2.1528 2.1528 2.1898 2.1898 2.2178 2.2178 2.2281 2.2281 2.2628 2.2628 3.9143 3.9143 3.9606 3.9606 4.3734 4.3734 4.9686 4.9686 5.0203 5.0203 5.0260 5.0260 5.7067 5.7067 5.7111 5.7111 k = 0.3333 0.5774 0.2502 ( 40890 PWs) bands (ev): -17.9519 -17.9519 -17.8436 -17.8436 -17.7577 -17.7577 -17.7575 -17.7575 -17.7170 -17.7170 -17.7169 -17.7169 -12.1939 -12.1939 -12.1571 -12.1571 -6.8074 -6.8074 -6.7983 -6.7983 -6.7226 -6.7226 -6.5224 -6.5224 -6.4931 -6.4931 -6.3653 -6.3653 -5.6115 -5.6115 -5.4590 -5.4590 -5.3867 -5.3867 -5.3843 -5.3843 -5.1689 -5.1689 -5.1214 -5.1214 -5.1171 -5.1171 -4.9250 -4.9250 -4.8747 -4.8747 -4.8131 -4.8131 -4.7929 -4.7929 -4.6942 -4.6942 2.1287 2.1287 2.1508 2.1508 2.1908 2.1908 2.2163 2.2163 2.2279 2.2279 2.2651 2.2651 3.9303 3.9303 3.9757 3.9757 4.4034 4.4034 4.9598 4.9598 4.9698 4.9698 4.9702 4.9702 5.7387 5.7387 5.7425 5.7425 k = 0.3333 0.5774 0.2780 ( 40878 PWs) bands (ev): -17.9486 -17.9486 -17.8471 -17.8471 -17.7565 -17.7565 -17.7563 -17.7563 -17.7183 -17.7183 -17.7182 -17.7182 -12.1925 -12.1925 -12.1580 -12.1580 -6.8063 -6.8063 -6.7924 -6.7924 -6.7267 -6.7267 -6.5355 -6.5355 -6.4869 -6.4869 -6.3654 -6.3654 -5.6135 -5.6135 -5.4669 -5.4669 -5.3731 -5.3731 -5.3730 -5.3730 -5.1575 -5.1575 -5.1292 -5.1292 -5.1230 -5.1230 -4.9231 -4.9231 -4.8794 -4.8794 -4.8184 -4.8184 -4.7904 -4.7904 -4.6978 -4.6978 2.1298 2.1298 2.1493 2.1493 2.1916 2.1916 2.2144 2.2144 2.2279 2.2279 2.2670 2.2670 3.9485 3.9485 3.9928 3.9928 4.4354 4.4354 4.9049 4.9049 4.9136 4.9136 4.9640 4.9640 5.7713 5.7713 5.7745 5.7745 k = 0.3333 0.5774 0.3058 ( 40884 PWs) bands (ev): -17.9450 -17.9450 -17.8508 -17.8508 -17.7551 -17.7551 -17.7549 -17.7549 -17.7197 -17.7197 -17.7196 -17.7196 -12.1910 -12.1910 -12.1590 -12.1590 -6.8050 -6.8050 -6.7859 -6.7859 -6.7311 -6.7311 -6.5490 -6.5490 -6.4803 -6.4803 -6.3662 -6.3662 -5.6144 -5.6144 -5.4753 -5.4753 -5.3610 -5.3610 -5.3596 -5.3596 -5.1457 -5.1457 -5.1366 -5.1366 -5.1295 -5.1295 -4.9210 -4.9210 -4.8848 -4.8848 -4.8241 -4.8241 -4.7876 -4.7876 -4.7018 -4.7018 2.1314 2.1314 2.1484 2.1484 2.1920 2.1920 2.2121 2.2121 2.2281 2.2281 2.2685 2.2685 3.9690 3.9690 4.0121 4.0121 4.4692 4.4692 4.8469 4.8469 4.8565 4.8565 4.9602 4.9602 5.8048 5.8048 5.8072 5.8072 k = 0.3333 0.5774 0.3336 ( 40884 PWs) bands (ev): -17.9412 -17.9412 -17.8548 -17.8548 -17.7536 -17.7536 -17.7534 -17.7534 -17.7212 -17.7212 -17.7210 -17.7210 -12.1894 -12.1894 -12.1601 -12.1601 -6.8035 -6.8035 -6.7787 -6.7787 -6.7357 -6.7357 -6.5628 -6.5628 -6.4734 -6.4734 -6.3677 -6.3677 -5.6144 -5.6144 -5.4842 -5.4842 -5.3484 -5.3484 -5.3462 -5.3462 -5.1472 -5.1472 -5.1367 -5.1367 -5.1302 -5.1302 -4.9186 -4.9186 -4.8909 -4.8909 -4.8301 -4.8301 -4.7847 -4.7847 -4.7059 -4.7059 2.1334 2.1334 2.1480 2.1480 2.1920 2.1920 2.2093 2.2093 2.2287 2.2287 2.2695 2.2695 3.9918 3.9918 4.0335 4.0335 4.5041 4.5041 4.7887 4.7887 4.7994 4.7994 4.9554 4.9554 5.8390 5.8390 5.8407 5.8407 k = 0.3333 0.5774 0.3614 ( 40914 PWs) bands (ev): -17.9371 -17.9371 -17.8591 -17.8591 -17.7521 -17.7521 -17.7519 -17.7519 -17.7227 -17.7227 -17.7226 -17.7226 -12.1878 -12.1878 -12.1612 -12.1612 -6.8017 -6.8017 -6.7709 -6.7709 -6.7404 -6.7404 -6.5767 -6.5767 -6.4662 -6.4662 -6.3699 -6.3699 -5.6132 -5.6132 -5.4936 -5.4936 -5.3353 -5.3353 -5.3331 -5.3331 -5.1560 -5.1560 -5.1444 -5.1444 -5.1162 -5.1162 -4.9160 -4.9160 -4.8980 -4.8980 -4.8364 -4.8364 -4.7815 -4.7815 -4.7104 -4.7104 2.1358 2.1358 2.1481 2.1481 2.1913 2.1913 2.2061 2.2061 2.2299 2.2299 2.2699 2.2699 4.0171 4.0171 4.0572 4.0572 4.5399 4.5399 4.7307 4.7307 4.7426 4.7426 4.9493 4.9493 5.8740 5.8740 5.8748 5.8748 k = 0.3333 0.5774 0.3892 ( 40920 PWs) bands (ev): -17.9328 -17.9328 -17.8636 -17.8636 -17.7504 -17.7504 -17.7502 -17.7502 -17.7244 -17.7244 -17.7243 -17.7243 -12.1860 -12.1860 -12.1625 -12.1625 -6.7997 -6.7997 -6.7624 -6.7624 -6.7452 -6.7452 -6.5908 -6.5908 -6.4588 -6.4588 -6.3727 -6.3727 -5.6111 -5.6111 -5.5032 -5.5032 -5.3219 -5.3219 -5.3203 -5.3203 -5.1653 -5.1653 -5.1528 -5.1528 -5.1013 -5.1013 -4.9137 -4.9137 -4.9055 -4.9055 -4.8427 -4.8427 -4.7781 -4.7781 -4.7150 -4.7150 2.1388 2.1388 2.1489 2.1489 2.1899 2.1899 2.2025 2.2025 2.2317 2.2317 2.2697 2.2697 4.0447 4.0447 4.0833 4.0833 4.5760 4.5760 4.6734 4.6734 4.6865 4.6865 4.9413 4.9413 5.9094 5.9094 5.9096 5.9096 k = 0.3333 0.5774 0.4170 ( 40887 PWs) bands (ev): -17.9283 -17.9283 -17.8682 -17.8682 -17.7487 -17.7487 -17.7485 -17.7485 -17.7261 -17.7261 -17.7260 -17.7260 -12.1843 -12.1843 -12.1639 -12.1639 -6.7973 -6.7973 -6.7533 -6.7533 -6.7500 -6.7500 -6.6049 -6.6049 -6.4513 -6.4513 -6.3761 -6.3761 -5.6079 -5.6079 -5.5130 -5.5130 -5.3083 -5.3083 -5.3077 -5.3077 -5.1750 -5.1750 -5.1618 -5.1618 -5.0858 -5.0858 -4.9167 -4.9167 -4.9084 -4.9084 -4.8490 -4.8490 -4.7745 -4.7745 -4.7197 -4.7197 2.1422 2.1422 2.1502 2.1502 2.1878 2.1878 2.1985 2.1985 2.2342 2.2342 2.2689 2.2689 4.0748 4.0748 4.1117 4.1117 4.6081 4.6081 4.6209 4.6209 4.6312 4.6312 4.9310 4.9310 5.9442 5.9442 5.9456 5.9456 k = 0.3333 0.5774 0.4448 ( 40896 PWs) bands (ev): -17.9236 -17.9236 -17.8730 -17.8730 -17.7469 -17.7469 -17.7467 -17.7467 -17.7279 -17.7279 -17.7278 -17.7278 -12.1825 -12.1825 -12.1653 -12.1653 -6.7947 -6.7947 -6.7549 -6.7549 -6.7435 -6.7435 -6.6190 -6.6190 -6.4438 -6.4438 -6.3801 -6.3801 -5.6037 -5.6037 -5.5230 -5.5230 -5.2954 -5.2954 -5.2945 -5.2945 -5.1849 -5.1849 -5.1714 -5.1714 -5.0699 -5.0699 -4.9262 -4.9262 -4.9054 -4.9054 -4.8553 -4.8553 -4.7707 -4.7707 -4.7246 -4.7246 2.1460 2.1460 2.1521 2.1521 2.1850 2.1850 2.1941 2.1941 2.2371 2.2371 2.2676 2.2676 4.1074 4.1074 4.1425 4.1425 4.5603 4.5603 4.5772 4.5772 4.6489 4.6489 4.9182 4.9182 5.9790 5.9790 5.9814 5.9814 k = 0.3333 0.5774 0.4726 ( 40902 PWs) bands (ev): -17.9188 -17.9188 -17.8780 -17.8780 -17.7451 -17.7451 -17.7449 -17.7449 -17.7297 -17.7297 -17.7296 -17.7296 -12.1807 -12.1807 -12.1668 -12.1668 -6.7918 -6.7918 -6.7596 -6.7596 -6.7331 -6.7331 -6.6329 -6.6329 -6.4363 -6.4363 -6.3847 -6.3847 -5.5986 -5.5986 -5.5329 -5.5329 -5.2834 -5.2834 -5.2808 -5.2808 -5.1950 -5.1950 -5.1815 -5.1815 -5.0539 -5.0539 -4.9373 -4.9373 -4.9018 -4.9018 -4.8614 -4.8614 -4.7667 -4.7667 -4.7295 -4.7295 2.1502 2.1502 2.1544 2.1544 2.1818 2.1818 2.1894 2.1894 2.2404 2.2404 2.2658 2.2658 4.1425 4.1425 4.1757 4.1757 4.5063 4.5063 4.5246 4.5246 4.6839 4.6839 4.9024 4.9024 6.0134 6.0134 6.0167 6.0167 k = 0.3333 0.5774 0.5004 ( 40938 PWs) bands (ev): -17.9139 -17.9139 -17.8830 -17.8830 -17.7432 -17.7432 -17.7430 -17.7430 -17.7316 -17.7316 -17.7315 -17.7315 -12.1789 -12.1789 -12.1683 -12.1683 -6.7886 -6.7886 -6.7643 -6.7643 -6.7222 -6.7222 -6.6467 -6.6467 -6.4289 -6.4289 -6.3898 -6.3898 -5.5926 -5.5926 -5.5427 -5.5427 -5.2716 -5.2716 -5.2671 -5.2671 -5.2054 -5.2054 -5.1923 -5.1923 -5.0378 -5.0378 -4.9494 -4.9494 -4.8977 -4.8977 -4.8673 -4.8673 -4.7626 -4.7626 -4.7345 -4.7345 2.1548 2.1548 2.1573 2.1573 2.1782 2.1782 2.1845 2.1845 2.2440 2.2440 2.2634 2.2634 4.1801 4.1801 4.2113 4.2113 4.4537 4.4537 4.4736 4.4736 4.7179 4.7179 4.8838 4.8838 6.0471 6.0471 6.0507 6.0507 k = 0.3333 0.5774 0.5282 ( 40926 PWs) bands (ev): -17.9088 -17.9088 -17.8882 -17.8882 -17.7413 -17.7413 -17.7411 -17.7411 -17.7335 -17.7335 -17.7334 -17.7334 -12.1771 -12.1771 -12.1699 -12.1699 -6.7852 -6.7852 -6.7689 -6.7689 -6.7107 -6.7107 -6.6602 -6.6602 -6.4217 -6.4217 -6.3954 -6.3954 -5.5858 -5.5858 -5.5522 -5.5522 -5.2600 -5.2600 -5.2537 -5.2537 -5.2159 -5.2159 -5.2036 -5.2036 -5.0219 -5.0219 -4.9625 -4.9625 -4.8933 -4.8933 -4.8730 -4.8730 -4.7582 -4.7582 -4.7394 -4.7394 2.1596 2.1596 2.1605 2.1605 2.1744 2.1744 2.1794 2.1794 2.2478 2.2478 2.2606 2.2606 4.2201 4.2201 4.2494 4.2494 4.4028 4.4028 4.4245 4.4245 4.7507 4.7507 4.8622 4.8622 6.0799 6.0799 6.0830 6.0830 k = 0.3333 0.5774 0.5560 ( 40914 PWs) bands (ev): -17.9037 -17.9037 -17.8933 -17.8933 -17.7394 -17.7394 -17.7392 -17.7392 -17.7355 -17.7355 -17.7353 -17.7353 -12.1754 -12.1754 -12.1716 -12.1716 -6.7815 -6.7815 -6.7733 -6.7733 -6.6988 -6.6988 -6.6735 -6.6735 -6.4146 -6.4146 -6.4015 -6.4015 -5.5783 -5.5783 -5.5614 -5.5614 -5.2487 -5.2487 -5.2406 -5.2406 -5.2267 -5.2267 -5.2155 -5.2155 -5.0062 -5.0062 -4.9764 -4.9764 -4.8886 -4.8886 -4.8785 -4.8785 -4.7537 -4.7537 -4.7443 -4.7443 2.1640 2.1640 2.1646 2.1646 2.1705 2.1705 2.1742 2.1742 2.2515 2.2515 2.2575 2.2575 4.2624 4.2624 4.2898 4.2898 4.3539 4.3539 4.3774 4.3774 4.7818 4.7818 4.8379 4.8379 6.1119 6.1119 6.1135 6.1135 k = 0.3333 0.5774 0.5838 ( 40902 PWs) bands (ev): -17.8985 -17.8985 -17.8985 -17.8985 -17.7374 -17.7374 -17.7374 -17.7374 -17.7373 -17.7373 -17.7373 -17.7373 -12.1742 -12.1742 -12.1727 -12.1727 -6.7775 -6.7775 -6.7775 -6.7775 -6.6863 -6.6863 -6.6863 -6.6863 -6.4079 -6.4079 -6.4079 -6.4079 -5.5701 -5.5701 -5.5701 -5.5701 -5.2376 -5.2376 -5.2376 -5.2376 -5.2278 -5.2278 -5.2278 -5.2278 -4.9910 -4.9910 -4.9910 -4.9910 -4.8837 -4.8837 -4.8837 -4.8837 -4.7491 -4.7491 -4.7490 -4.7490 2.1666 2.1666 2.1678 2.1678 2.1688 2.1688 2.1700 2.1700 2.2540 2.2540 2.2552 2.2552 4.3070 4.3070 4.3071 4.3071 4.3325 4.3325 4.3325 4.3325 4.8110 4.8110 4.8110 4.8110 6.1421 6.1423 6.1427 6.1433 Writing output data file Cs3O.save init_run : 0.97s CPU 1.11s WALL ( 1 calls) electrons : 1233.48s CPU 1298.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.09s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 1233.47s CPU 1298.69s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.52s CPU 0.53s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.53s CPU 0.50s WALL ( 186 calls) cegterg : 1162.33s CPU 1176.30s WALL ( 525 calls) Called by sum_band: Called by *egterg: h_psi : 772.88s CPU 779.04s WALL ( 9455 calls) s_psi : 37.34s CPU 37.03s WALL ( 9455 calls) g_psi : 1.55s CPU 1.55s WALL ( 8744 calls) cdiaghg : 249.42s CPU 249.65s WALL ( 8930 calls) cegterg:over : 54.66s CPU 54.94s WALL ( 8744 calls) cegterg:upda : 55.70s CPU 56.19s WALL ( 8744 calls) cegterg:last : 24.82s CPU 24.81s WALL ( 1093 calls) cdiaghg:chol : 7.86s CPU 7.56s WALL ( 8930 calls) cdiaghg:inve : 43.93s CPU 44.28s WALL ( 8930 calls) cdiaghg:para : 41.34s CPU 41.57s WALL ( 17860 calls) Called by h_psi: h_psi:vloc : 651.51s CPU 656.90s WALL ( 9455 calls) h_psi:vnl : 119.10s CPU 119.96s WALL ( 9455 calls) add_vuspsi : 64.90s CPU 65.75s WALL ( 9455 calls) General routines calbec : 54.13s CPU 54.16s WALL ( 9455 calls) fft : 0.03s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 624.06s CPU 629.40s WALL ( 1068532 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.31s CPU 50.10s WALL ( 372 calls) Parallel routines fft_scatter : 269.99s CPU 272.70s WALL ( 1068555 calls) PWSCF : 22m22.08s CPU 23m50.06s WALL This run was terminated on: 14:58:56 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=