Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:36:37 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./RbLiS.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 63 63 17 3753 3753 551 Max 64 64 18 3758 3758 558 Sum 2289 2289 641 135225 135225 19991 bravais-lattice index = 14 lattice parameter (alat) = 8.3601 a.u. unit-cell volume = 958.2176 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.360148 celldm(2)= 1.000000 celldm(3)= 1.639919 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.639919 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.609786 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Li 3.00 6.94100 Li( 1.00) Rb 9.00 85.46780 Rb( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 321 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0031153 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0031153 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0031153 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0031153 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0031153 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0031153 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0031153 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0031153 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0031153 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0031153 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0031153 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0031153 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0031153 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0031153 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0031153 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0031153 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0031153 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0031153 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0031153 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0031153 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0031153 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0031153 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0031153 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0031153 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0031153 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0031153 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0031153 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0031153 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0031153 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0031153 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0031153 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0031153 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0031153 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0031153 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0031153 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031153 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031153 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0031153 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0031153 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0031153 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0031153 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0031153 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0031153 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0031153 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0031153 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0031153 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0031153 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0031153 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0031153 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0031153 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0031153 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0031153 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0031153 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0031153 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0031153 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0031153 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0031153 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0031153 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0031153 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0031153 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0031153 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0031153 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0031153 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0031153 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0031153 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0031153 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0031153 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0031153 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0031153 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0031153 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0031153 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0031153 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031153 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031153 k( 76) = ( 0.4901961 0.4901961 -0.0000000), wk = 0.0031153 k( 77) = ( 0.4803922 0.4803922 -0.0000000), wk = 0.0031153 k( 78) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0031153 k( 79) = ( 0.4607843 0.4607843 -0.0000000), wk = 0.0031153 k( 80) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0031153 k( 81) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0031153 k( 82) = ( 0.4313726 0.4313725 -0.0000000), wk = 0.0031153 k( 83) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0031153 k( 84) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0031153 k( 85) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0031153 k( 86) = ( 0.3921569 0.3921569 -0.0000000), wk = 0.0031153 k( 87) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0031153 k( 88) = ( 0.3725490 0.3725490 -0.0000000), wk = 0.0031153 k( 89) = ( 0.3627451 0.3627451 -0.0000000), wk = 0.0031153 k( 90) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0031153 k( 91) = ( 0.3431373 0.3431372 -0.0000000), wk = 0.0031153 k( 92) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031153 k( 93) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0031153 k( 94) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0031153 k( 95) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0031153 k( 96) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0031153 k( 97) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0031153 k( 98) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0031153 k( 99) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0031153 k( 100) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0031153 k( 101) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0031153 k( 102) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0031153 k( 103) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0031153 k( 104) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0031153 k( 105) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0031153 k( 106) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0031153 k( 107) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0031153 k( 108) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0031153 k( 109) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0031153 k( 110) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0031153 k( 111) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0031153 k( 112) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0031153 k( 113) = ( 0.1274510 0.1274510 -0.0000000), wk = 0.0031153 k( 114) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0031153 k( 115) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0031153 k( 116) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0031153 k( 117) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0031153 k( 118) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0031153 k( 119) = ( 0.0686275 0.0686275 -0.0000000), wk = 0.0031153 k( 120) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0031153 k( 121) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0031153 k( 122) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0031153 k( 123) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0031153 k( 124) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0031153 k( 125) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0031153 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 128) = ( 0.0000000 0.0000000 0.0138588), wk = 0.0031153 k( 129) = ( 0.0000000 0.0000000 0.0277176), wk = 0.0031153 k( 130) = ( 0.0000000 0.0000000 0.0415763), wk = 0.0031153 k( 131) = ( 0.0000000 0.0000000 0.0554351), wk = 0.0031153 k( 132) = ( 0.0000000 0.0000000 0.0692939), wk = 0.0031153 k( 133) = ( 0.0000000 0.0000000 0.0831527), wk = 0.0031153 k( 134) = ( 0.0000000 0.0000000 0.0970115), wk = 0.0031153 k( 135) = ( 0.0000000 0.0000000 0.1108702), wk = 0.0031153 k( 136) = ( 0.0000000 0.0000000 0.1247290), wk = 0.0031153 k( 137) = ( 0.0000000 0.0000000 0.1385878), wk = 0.0031153 k( 138) = ( 0.0000000 0.0000000 0.1524466), wk = 0.0031153 k( 139) = ( 0.0000000 0.0000000 0.1663054), wk = 0.0031153 k( 140) = ( 0.0000000 0.0000000 0.1801642), wk = 0.0031153 k( 141) = ( 0.0000000 0.0000000 0.1940229), wk = 0.0031153 k( 142) = ( 0.0000000 0.0000000 0.2078817), wk = 0.0031153 k( 143) = ( 0.0000000 0.0000000 0.2217405), wk = 0.0031153 k( 144) = ( 0.0000000 0.0000000 0.2355993), wk = 0.0031153 k( 145) = ( 0.0000000 0.0000000 0.2494581), wk = 0.0031153 k( 146) = ( 0.0000000 0.0000000 0.2633168), wk = 0.0031153 k( 147) = ( 0.0000000 0.0000000 0.2771756), wk = 0.0031153 k( 148) = ( 0.0000000 0.0000000 0.2910344), wk = 0.0031153 k( 149) = ( 0.0000000 0.0000000 0.3048932), wk = 0.0031153 k( 150) = ( 0.0000000 0.0000000 0.3048932), wk = 0.0031153 k( 151) = ( 0.0000000 0.0138889 0.3048932), wk = 0.0031153 k( 152) = ( 0.0000000 0.0277778 0.3048932), wk = 0.0031153 k( 153) = ( 0.0000000 0.0416667 0.3048932), wk = 0.0031153 k( 154) = ( 0.0000000 0.0555556 0.3048932), wk = 0.0031153 k( 155) = ( 0.0000000 0.0694444 0.3048932), wk = 0.0031153 k( 156) = ( 0.0000000 0.0833333 0.3048932), wk = 0.0031153 k( 157) = ( 0.0000000 0.0972222 0.3048932), wk = 0.0031153 k( 158) = ( 0.0000000 0.1111111 0.3048932), wk = 0.0031153 k( 159) = ( 0.0000000 0.1250000 0.3048932), wk = 0.0031153 k( 160) = ( 0.0000000 0.1388889 0.3048932), wk = 0.0031153 k( 161) = ( 0.0000000 0.1527778 0.3048932), wk = 0.0031153 k( 162) = ( 0.0000000 0.1666667 0.3048932), wk = 0.0031153 k( 163) = ( 0.0000000 0.1805556 0.3048932), wk = 0.0031153 k( 164) = ( 0.0000000 0.1944444 0.3048932), wk = 0.0031153 k( 165) = ( 0.0000000 0.2083333 0.3048932), wk = 0.0031153 k( 166) = ( 0.0000000 0.2222222 0.3048932), wk = 0.0031153 k( 167) = ( 0.0000000 0.2361111 0.3048932), wk = 0.0031153 k( 168) = ( 0.0000000 0.2500000 0.3048932), wk = 0.0031153 k( 169) = ( 0.0000000 0.2638889 0.3048932), wk = 0.0031153 k( 170) = ( 0.0000000 0.2777778 0.3048932), wk = 0.0031153 k( 171) = ( 0.0000000 0.2916667 0.3048932), wk = 0.0031153 k( 172) = ( 0.0000000 0.3055556 0.3048932), wk = 0.0031153 k( 173) = ( 0.0000000 0.3194444 0.3048932), wk = 0.0031153 k( 174) = ( 0.0000000 0.3333333 0.3048932), wk = 0.0031153 k( 175) = ( 0.0000000 0.3472222 0.3048932), wk = 0.0031153 k( 176) = ( 0.0000000 0.3611111 0.3048932), wk = 0.0031153 k( 177) = ( 0.0000000 0.3750000 0.3048932), wk = 0.0031153 k( 178) = ( 0.0000000 0.3888889 0.3048932), wk = 0.0031153 k( 179) = ( 0.0000000 0.4027778 0.3048932), wk = 0.0031153 k( 180) = ( 0.0000000 0.4166667 0.3048932), wk = 0.0031153 k( 181) = ( 0.0000000 0.4305556 0.3048932), wk = 0.0031153 k( 182) = ( 0.0000000 0.4444444 0.3048932), wk = 0.0031153 k( 183) = ( 0.0000000 0.4583333 0.3048932), wk = 0.0031153 k( 184) = ( 0.0000000 0.4722222 0.3048932), wk = 0.0031153 k( 185) = ( 0.0000000 0.4861111 0.3048932), wk = 0.0031153 k( 186) = ( 0.0000000 0.5000000 0.3048932), wk = 0.0031153 k( 187) = ( 0.0000000 0.5000000 0.3048932), wk = 0.0031153 k( 188) = ( 0.0138889 0.5000000 0.3048932), wk = 0.0031153 k( 189) = ( 0.0277778 0.5000000 0.3048932), wk = 0.0031153 k( 190) = ( 0.0416667 0.5000000 0.3048932), wk = 0.0031153 k( 191) = ( 0.0555556 0.5000000 0.3048932), wk = 0.0031153 k( 192) = ( 0.0694444 0.5000000 0.3048932), wk = 0.0031153 k( 193) = ( 0.0833333 0.5000000 0.3048932), wk = 0.0031153 k( 194) = ( 0.0972222 0.5000000 0.3048932), wk = 0.0031153 k( 195) = ( 0.1111111 0.5000000 0.3048932), wk = 0.0031153 k( 196) = ( 0.1250000 0.5000000 0.3048932), wk = 0.0031153 k( 197) = ( 0.1388889 0.5000000 0.3048932), wk = 0.0031153 k( 198) = ( 0.1527778 0.5000000 0.3048932), wk = 0.0031153 k( 199) = ( 0.1666667 0.5000000 0.3048932), wk = 0.0031153 k( 200) = ( 0.1805556 0.5000000 0.3048932), wk = 0.0031153 k( 201) = ( 0.1944444 0.5000000 0.3048932), wk = 0.0031153 k( 202) = ( 0.2083333 0.5000000 0.3048932), wk = 0.0031153 k( 203) = ( 0.2222222 0.5000000 0.3048932), wk = 0.0031153 k( 204) = ( 0.2361111 0.5000000 0.3048932), wk = 0.0031153 k( 205) = ( 0.2500000 0.5000000 0.3048932), wk = 0.0031153 k( 206) = ( 0.2638889 0.5000000 0.3048932), wk = 0.0031153 k( 207) = ( 0.2777778 0.5000000 0.3048932), wk = 0.0031153 k( 208) = ( 0.2916667 0.5000000 0.3048932), wk = 0.0031153 k( 209) = ( 0.3055556 0.5000000 0.3048932), wk = 0.0031153 k( 210) = ( 0.3194444 0.5000000 0.3048932), wk = 0.0031153 k( 211) = ( 0.3333333 0.5000000 0.3048932), wk = 0.0031153 k( 212) = ( 0.3472222 0.5000000 0.3048932), wk = 0.0031153 k( 213) = ( 0.3611111 0.5000000 0.3048932), wk = 0.0031153 k( 214) = ( 0.3750000 0.5000000 0.3048932), wk = 0.0031153 k( 215) = ( 0.3888889 0.5000000 0.3048932), wk = 0.0031153 k( 216) = ( 0.4027778 0.5000000 0.3048932), wk = 0.0031153 k( 217) = ( 0.4166667 0.5000000 0.3048932), wk = 0.0031153 k( 218) = ( 0.4305556 0.5000000 0.3048932), wk = 0.0031153 k( 219) = ( 0.4444444 0.5000000 0.3048932), wk = 0.0031153 k( 220) = ( 0.4583333 0.5000000 0.3048932), wk = 0.0031153 k( 221) = ( 0.4722222 0.5000000 0.3048932), wk = 0.0031153 k( 222) = ( 0.4861111 0.5000000 0.3048932), wk = 0.0031153 k( 223) = ( 0.5000000 0.5000000 0.3048932), wk = 0.0031153 k( 224) = ( 0.5000000 0.5000000 0.3048932), wk = 0.0031153 k( 225) = ( 0.4901961 0.4901961 0.3048932), wk = 0.0031153 k( 226) = ( 0.4803922 0.4803922 0.3048932), wk = 0.0031153 k( 227) = ( 0.4705882 0.4705882 0.3048932), wk = 0.0031153 k( 228) = ( 0.4607843 0.4607843 0.3048932), wk = 0.0031153 k( 229) = ( 0.4509804 0.4509804 0.3048932), wk = 0.0031153 k( 230) = ( 0.4411765 0.4411765 0.3048932), wk = 0.0031153 k( 231) = ( 0.4313726 0.4313725 0.3048932), wk = 0.0031153 k( 232) = ( 0.4215686 0.4215686 0.3048932), wk = 0.0031153 k( 233) = ( 0.4117647 0.4117647 0.3048932), wk = 0.0031153 k( 234) = ( 0.4019608 0.4019608 0.3048932), wk = 0.0031153 k( 235) = ( 0.3921569 0.3921569 0.3048932), wk = 0.0031153 k( 236) = ( 0.3823529 0.3823529 0.3048932), wk = 0.0031153 k( 237) = ( 0.3725490 0.3725490 0.3048932), wk = 0.0031153 k( 238) = ( 0.3627451 0.3627451 0.3048932), wk = 0.0031153 k( 239) = ( 0.3529412 0.3529412 0.3048932), wk = 0.0031153 k( 240) = ( 0.3431373 0.3431372 0.3048932), wk = 0.0031153 k( 241) = ( 0.3333333 0.3333333 0.3048932), wk = 0.0031153 k( 242) = ( 0.3235294 0.3235294 0.3048932), wk = 0.0031153 k( 243) = ( 0.3137255 0.3137255 0.3048932), wk = 0.0031153 k( 244) = ( 0.3039216 0.3039216 0.3048932), wk = 0.0031153 k( 245) = ( 0.2941177 0.2941176 0.3048932), wk = 0.0031153 k( 246) = ( 0.2843137 0.2843137 0.3048932), wk = 0.0031153 k( 247) = ( 0.2745098 0.2745098 0.3048932), wk = 0.0031153 k( 248) = ( 0.2647059 0.2647059 0.3048932), wk = 0.0031153 k( 249) = ( 0.2549020 0.2549020 0.3048932), wk = 0.0031153 k( 250) = ( 0.2450980 0.2450980 0.3048932), wk = 0.0031153 k( 251) = ( 0.2352941 0.2352941 0.3048932), wk = 0.0031153 k( 252) = ( 0.2254902 0.2254902 0.3048932), wk = 0.0031153 k( 253) = ( 0.2156863 0.2156863 0.3048932), wk = 0.0031153 k( 254) = ( 0.2058823 0.2058823 0.3048932), wk = 0.0031153 k( 255) = ( 0.1960784 0.1960784 0.3048932), wk = 0.0031153 k( 256) = ( 0.1862745 0.1862745 0.3048932), wk = 0.0031153 k( 257) = ( 0.1764706 0.1764706 0.3048932), wk = 0.0031153 k( 258) = ( 0.1666667 0.1666667 0.3048932), wk = 0.0031153 k( 259) = ( 0.1568627 0.1568627 0.3048932), wk = 0.0031153 k( 260) = ( 0.1470588 0.1470588 0.3048932), wk = 0.0031153 k( 261) = ( 0.1372549 0.1372549 0.3048932), wk = 0.0031153 k( 262) = ( 0.1274510 0.1274510 0.3048932), wk = 0.0031153 k( 263) = ( 0.1176471 0.1176471 0.3048932), wk = 0.0031153 k( 264) = ( 0.1078431 0.1078431 0.3048932), wk = 0.0031153 k( 265) = ( 0.0980392 0.0980392 0.3048932), wk = 0.0031153 k( 266) = ( 0.0882353 0.0882353 0.3048932), wk = 0.0031153 k( 267) = ( 0.0784314 0.0784314 0.3048932), wk = 0.0031153 k( 268) = ( 0.0686275 0.0686275 0.3048932), wk = 0.0031153 k( 269) = ( 0.0588235 0.0588235 0.3048932), wk = 0.0031153 k( 270) = ( 0.0490196 0.0490196 0.3048932), wk = 0.0031153 k( 271) = ( 0.0392157 0.0392157 0.3048932), wk = 0.0031153 k( 272) = ( 0.0294118 0.0294118 0.3048932), wk = 0.0031153 k( 273) = ( 0.0196078 0.0196078 0.3048932), wk = 0.0031153 k( 274) = ( 0.0098039 0.0098039 0.3048932), wk = 0.0031153 k( 275) = ( 0.0000000 0.0000000 0.3048932), wk = 0.0031153 k( 276) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031153 k( 277) = ( 0.0000000 0.5000000 0.0138588), wk = 0.0031153 k( 278) = ( 0.0000000 0.5000000 0.0277176), wk = 0.0031153 k( 279) = ( 0.0000000 0.5000000 0.0415763), wk = 0.0031153 k( 280) = ( 0.0000000 0.5000000 0.0554351), wk = 0.0031153 k( 281) = ( 0.0000000 0.5000000 0.0692939), wk = 0.0031153 k( 282) = ( 0.0000000 0.5000000 0.0831527), wk = 0.0031153 k( 283) = ( 0.0000000 0.5000000 0.0970115), wk = 0.0031153 k( 284) = ( 0.0000000 0.5000000 0.1108702), wk = 0.0031153 k( 285) = ( 0.0000000 0.5000000 0.1247290), wk = 0.0031153 k( 286) = ( 0.0000000 0.5000000 0.1385878), wk = 0.0031153 k( 287) = ( 0.0000000 0.5000000 0.1524466), wk = 0.0031153 k( 288) = ( 0.0000000 0.5000000 0.1663054), wk = 0.0031153 k( 289) = ( 0.0000000 0.5000000 0.1801642), wk = 0.0031153 k( 290) = ( 0.0000000 0.5000000 0.1940229), wk = 0.0031153 k( 291) = ( 0.0000000 0.5000000 0.2078817), wk = 0.0031153 k( 292) = ( 0.0000000 0.5000000 0.2217405), wk = 0.0031153 k( 293) = ( 0.0000000 0.5000000 0.2355993), wk = 0.0031153 k( 294) = ( 0.0000000 0.5000000 0.2494581), wk = 0.0031153 k( 295) = ( 0.0000000 0.5000000 0.2633168), wk = 0.0031153 k( 296) = ( 0.0000000 0.5000000 0.2771756), wk = 0.0031153 k( 297) = ( 0.0000000 0.5000000 0.2910344), wk = 0.0031153 k( 298) = ( 0.0000000 0.5000000 0.3048932), wk = 0.0031153 k( 299) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031153 k( 300) = ( 0.5000000 0.5000000 0.0138588), wk = 0.0031153 k( 301) = ( 0.5000000 0.5000000 0.0277176), wk = 0.0031153 k( 302) = ( 0.5000000 0.5000000 0.0415763), wk = 0.0031153 k( 303) = ( 0.5000000 0.5000000 0.0554351), wk = 0.0031153 k( 304) = ( 0.5000000 0.5000000 0.0692939), wk = 0.0031153 k( 305) = ( 0.5000000 0.5000000 0.0831527), wk = 0.0031153 k( 306) = ( 0.5000000 0.5000000 0.0970115), wk = 0.0031153 k( 307) = ( 0.5000000 0.5000000 0.1108702), wk = 0.0031153 k( 308) = ( 0.5000000 0.5000000 0.1247290), wk = 0.0031153 k( 309) = ( 0.5000000 0.5000000 0.1385878), wk = 0.0031153 k( 310) = ( 0.5000000 0.5000000 0.1524466), wk = 0.0031153 k( 311) = ( 0.5000000 0.5000000 0.1663054), wk = 0.0031153 k( 312) = ( 0.5000000 0.5000000 0.1801642), wk = 0.0031153 k( 313) = ( 0.5000000 0.5000000 0.1940229), wk = 0.0031153 k( 314) = ( 0.5000000 0.5000000 0.2078817), wk = 0.0031153 k( 315) = ( 0.5000000 0.5000000 0.2217405), wk = 0.0031153 k( 316) = ( 0.5000000 0.5000000 0.2355993), wk = 0.0031153 k( 317) = ( 0.5000000 0.5000000 0.2494581), wk = 0.0031153 k( 318) = ( 0.5000000 0.5000000 0.2633168), wk = 0.0031153 k( 319) = ( 0.5000000 0.5000000 0.2771756), wk = 0.0031153 k( 320) = ( 0.5000000 0.5000000 0.2910344), wk = 0.0031153 k( 321) = ( 0.5000000 0.5000000 0.3048932), wk = 0.0031153 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0031153 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0031153 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0031153 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0031153 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0031153 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0031153 k( 8) = ( 0.0000000 0.0972222 0.0000000), wk = 0.0031153 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0031153 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0031153 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0031153 k( 12) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0031153 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0031153 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0031153 k( 15) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0031153 k( 16) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0031153 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0031153 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0031153 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0031153 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0031153 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0031153 k( 22) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0031153 k( 23) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0031153 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0031153 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0031153 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0031153 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0031153 k( 28) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0031153 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0031153 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0031153 k( 31) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0031153 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0031153 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0031153 k( 34) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0031153 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0031153 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0031153 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031153 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031153 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0031153 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0031153 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0031153 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0031153 k( 43) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0031153 k( 44) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0031153 k( 45) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0031153 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0031153 k( 47) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0031153 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0031153 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0031153 k( 50) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0031153 k( 51) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0031153 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0031153 k( 53) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0031153 k( 54) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0031153 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0031153 k( 56) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0031153 k( 57) = ( 0.2638889 0.5000000 0.0000000), wk = 0.0031153 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0031153 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0031153 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0031153 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0031153 k( 62) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0031153 k( 63) = ( 0.3472222 0.5000000 0.0000000), wk = 0.0031153 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0031153 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0031153 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0031153 k( 67) = ( 0.4027778 0.5000000 0.0000000), wk = 0.0031153 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0031153 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0031153 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0031153 k( 71) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0031153 k( 72) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0031153 k( 73) = ( 0.4861111 0.5000000 0.0000000), wk = 0.0031153 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031153 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031153 k( 76) = ( 0.4901961 0.4901961 -0.0000000), wk = 0.0031153 k( 77) = ( 0.4803922 0.4803922 0.0000000), wk = 0.0031153 k( 78) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0031153 k( 79) = ( 0.4607843 0.4607843 -0.0000000), wk = 0.0031153 k( 80) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0031153 k( 81) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0031153 k( 82) = ( 0.4313726 0.4313726 0.0000000), wk = 0.0031153 k( 83) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0031153 k( 84) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0031153 k( 85) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0031153 k( 86) = ( 0.3921569 0.3921569 0.0000000), wk = 0.0031153 k( 87) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0031153 k( 88) = ( 0.3725490 0.3725490 -0.0000000), wk = 0.0031153 k( 89) = ( 0.3627451 0.3627451 -0.0000000), wk = 0.0031153 k( 90) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0031153 k( 91) = ( 0.3431373 0.3431373 -0.0000000), wk = 0.0031153 k( 92) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031153 k( 93) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0031153 k( 94) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0031153 k( 95) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0031153 k( 96) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0031153 k( 97) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0031153 k( 98) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0031153 k( 99) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0031153 k( 100) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0031153 k( 101) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0031153 k( 102) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0031153 k( 103) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0031153 k( 104) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0031153 k( 105) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0031153 k( 106) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0031153 k( 107) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0031153 k( 108) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0031153 k( 109) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0031153 k( 110) = ( 0.1568627 0.1568627 0.0000000), wk = 0.0031153 k( 111) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0031153 k( 112) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0031153 k( 113) = ( 0.1274510 0.1274510 -0.0000000), wk = 0.0031153 k( 114) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0031153 k( 115) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0031153 k( 116) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0031153 k( 117) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0031153 k( 118) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0031153 k( 119) = ( 0.0686275 0.0686275 0.0000000), wk = 0.0031153 k( 120) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0031153 k( 121) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0031153 k( 122) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0031153 k( 123) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0031153 k( 124) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0031153 k( 125) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0031153 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 128) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0031153 k( 129) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0031153 k( 130) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0031153 k( 131) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0031153 k( 132) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0031153 k( 133) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0031153 k( 134) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0031153 k( 135) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0031153 k( 136) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0031153 k( 137) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0031153 k( 138) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031153 k( 139) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0031153 k( 140) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0031153 k( 141) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0031153 k( 142) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0031153 k( 143) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0031153 k( 144) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0031153 k( 145) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0031153 k( 146) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0031153 k( 147) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0031153 k( 148) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0031153 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031153 k( 150) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031153 k( 151) = ( 0.0000000 0.0138889 0.5000000), wk = 0.0031153 k( 152) = ( 0.0000000 0.0277778 0.5000000), wk = 0.0031153 k( 153) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0031153 k( 154) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0031153 k( 155) = ( 0.0000000 0.0694444 0.5000000), wk = 0.0031153 k( 156) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0031153 k( 157) = ( 0.0000000 0.0972222 0.5000000), wk = 0.0031153 k( 158) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0031153 k( 159) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0031153 k( 160) = ( 0.0000000 0.1388889 0.5000000), wk = 0.0031153 k( 161) = ( 0.0000000 0.1527778 0.5000000), wk = 0.0031153 k( 162) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0031153 k( 163) = ( 0.0000000 0.1805556 0.5000000), wk = 0.0031153 k( 164) = ( 0.0000000 0.1944444 0.5000000), wk = 0.0031153 k( 165) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0031153 k( 166) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0031153 k( 167) = ( 0.0000000 0.2361111 0.5000000), wk = 0.0031153 k( 168) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0031153 k( 169) = ( 0.0000000 0.2638889 0.5000000), wk = 0.0031153 k( 170) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0031153 k( 171) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0031153 k( 172) = ( 0.0000000 0.3055556 0.5000000), wk = 0.0031153 k( 173) = ( 0.0000000 0.3194444 0.5000000), wk = 0.0031153 k( 174) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0031153 k( 175) = ( 0.0000000 0.3472222 0.5000000), wk = 0.0031153 k( 176) = ( 0.0000000 0.3611111 0.5000000), wk = 0.0031153 k( 177) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0031153 k( 178) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0031153 k( 179) = ( 0.0000000 0.4027778 0.5000000), wk = 0.0031153 k( 180) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0031153 k( 181) = ( 0.0000000 0.4305556 0.5000000), wk = 0.0031153 k( 182) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0031153 k( 183) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0031153 k( 184) = ( 0.0000000 0.4722222 0.5000000), wk = 0.0031153 k( 185) = ( 0.0000000 0.4861111 0.5000000), wk = 0.0031153 k( 186) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031153 k( 187) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031153 k( 188) = ( 0.0138889 0.5000000 0.5000000), wk = 0.0031153 k( 189) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0031153 k( 190) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0031153 k( 191) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0031153 k( 192) = ( 0.0694444 0.5000000 0.5000000), wk = 0.0031153 k( 193) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0031153 k( 194) = ( 0.0972222 0.5000000 0.5000000), wk = 0.0031153 k( 195) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0031153 k( 196) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0031153 k( 197) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0031153 k( 198) = ( 0.1527778 0.5000000 0.5000000), wk = 0.0031153 k( 199) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0031153 k( 200) = ( 0.1805556 0.5000000 0.5000000), wk = 0.0031153 k( 201) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0031153 k( 202) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0031153 k( 203) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0031153 k( 204) = ( 0.2361111 0.5000000 0.5000000), wk = 0.0031153 k( 205) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0031153 k( 206) = ( 0.2638889 0.5000000 0.5000000), wk = 0.0031153 k( 207) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0031153 k( 208) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0031153 k( 209) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0031153 k( 210) = ( 0.3194444 0.5000000 0.5000000), wk = 0.0031153 k( 211) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0031153 k( 212) = ( 0.3472222 0.5000000 0.5000000), wk = 0.0031153 k( 213) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0031153 k( 214) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0031153 k( 215) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0031153 k( 216) = ( 0.4027778 0.5000000 0.5000000), wk = 0.0031153 k( 217) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0031153 k( 218) = ( 0.4305556 0.5000000 0.5000000), wk = 0.0031153 k( 219) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0031153 k( 220) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0031153 k( 221) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0031153 k( 222) = ( 0.4861111 0.5000000 0.5000000), wk = 0.0031153 k( 223) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031153 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031153 k( 225) = ( 0.4901961 0.4901961 0.5000000), wk = 0.0031153 k( 226) = ( 0.4803922 0.4803922 0.5000000), wk = 0.0031153 k( 227) = ( 0.4705882 0.4705882 0.5000000), wk = 0.0031153 k( 228) = ( 0.4607843 0.4607843 0.5000000), wk = 0.0031153 k( 229) = ( 0.4509804 0.4509804 0.5000000), wk = 0.0031153 k( 230) = ( 0.4411765 0.4411765 0.5000000), wk = 0.0031153 k( 231) = ( 0.4313726 0.4313726 0.5000000), wk = 0.0031153 k( 232) = ( 0.4215686 0.4215686 0.5000000), wk = 0.0031153 k( 233) = ( 0.4117647 0.4117647 0.5000000), wk = 0.0031153 k( 234) = ( 0.4019608 0.4019608 0.5000000), wk = 0.0031153 k( 235) = ( 0.3921569 0.3921569 0.5000000), wk = 0.0031153 k( 236) = ( 0.3823529 0.3823529 0.5000000), wk = 0.0031153 k( 237) = ( 0.3725490 0.3725490 0.5000000), wk = 0.0031153 k( 238) = ( 0.3627451 0.3627451 0.5000000), wk = 0.0031153 k( 239) = ( 0.3529412 0.3529412 0.5000000), wk = 0.0031153 k( 240) = ( 0.3431373 0.3431373 0.5000000), wk = 0.0031153 k( 241) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031153 k( 242) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0031153 k( 243) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0031153 k( 244) = ( 0.3039216 0.3039216 0.5000000), wk = 0.0031153 k( 245) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0031153 k( 246) = ( 0.2843137 0.2843137 0.5000000), wk = 0.0031153 k( 247) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0031153 k( 248) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0031153 k( 249) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0031153 k( 250) = ( 0.2450980 0.2450980 0.5000000), wk = 0.0031153 k( 251) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0031153 k( 252) = ( 0.2254902 0.2254902 0.5000000), wk = 0.0031153 k( 253) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0031153 k( 254) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0031153 k( 255) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0031153 k( 256) = ( 0.1862745 0.1862745 0.5000000), wk = 0.0031153 k( 257) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0031153 k( 258) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0031153 k( 259) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0031153 k( 260) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0031153 k( 261) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0031153 k( 262) = ( 0.1274510 0.1274510 0.5000000), wk = 0.0031153 k( 263) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0031153 k( 264) = ( 0.1078431 0.1078431 0.5000000), wk = 0.0031153 k( 265) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0031153 k( 266) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0031153 k( 267) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0031153 k( 268) = ( 0.0686275 0.0686275 0.5000000), wk = 0.0031153 k( 269) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0031153 k( 270) = ( 0.0490196 0.0490196 0.5000000), wk = 0.0031153 k( 271) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0031153 k( 272) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0031153 k( 273) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0031153 k( 274) = ( 0.0098039 0.0098039 0.5000000), wk = 0.0031153 k( 275) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031153 k( 276) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031153 k( 277) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0031153 k( 278) = ( 0.0000000 0.5000000 0.0454545), wk = 0.0031153 k( 279) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0031153 k( 280) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0031153 k( 281) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0031153 k( 282) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0031153 k( 283) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0031153 k( 284) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0031153 k( 285) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0031153 k( 286) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0031153 k( 287) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0031153 k( 288) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0031153 k( 289) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0031153 k( 290) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0031153 k( 291) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0031153 k( 292) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0031153 k( 293) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0031153 k( 294) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0031153 k( 295) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0031153 k( 296) = ( 0.0000000 0.5000000 0.4545454), wk = 0.0031153 k( 297) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0031153 k( 298) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031153 k( 299) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031153 k( 300) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0031153 k( 301) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0031153 k( 302) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0031153 k( 303) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0031153 k( 304) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0031153 k( 305) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0031153 k( 306) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0031153 k( 307) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0031153 k( 308) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0031153 k( 309) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0031153 k( 310) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0031153 k( 311) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0031153 k( 312) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0031153 k( 313) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0031153 k( 314) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0031153 k( 315) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0031153 k( 316) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0031153 k( 317) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0031153 k( 318) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0031153 k( 319) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0031153 k( 320) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0031153 k( 321) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031153 Dense grid: 135225 G-vectors FFT dimensions: ( 60, 60, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.65 Mb ( 964, 44) NL pseudopotentials 1.21 Mb ( 482, 164) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 3756) G-vector shells 0.01 Mb ( 1785) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.59 Mb ( 964, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.22 Mb ( 164, 2, 44) The potential is recalculated from file : ./RbLiS.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.3 secs Computing kpt #: 4 total cpu time spent up to now is 6.2 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 8.0 secs Computing kpt #: 7 total cpu time spent up to now is 9.0 secs Computing kpt #: 8 total cpu time spent up to now is 10.0 secs Computing kpt #: 9 total cpu time spent up to now is 11.0 secs Computing kpt #: 10 total cpu time spent up to now is 12.0 secs Computing kpt #: 11 total cpu time spent up to now is 13.0 secs Computing kpt #: 12 total cpu time spent up to now is 14.0 secs Computing kpt #: 13 total cpu time spent up to now is 15.0 secs Computing kpt #: 14 total cpu time spent up to now is 15.9 secs Computing kpt #: 15 total cpu time spent up to now is 16.7 secs Computing kpt #: 16 total cpu time spent up to now is 17.6 secs Computing kpt #: 17 total cpu time spent up to now is 18.5 secs Computing kpt #: 18 total cpu time spent up to now is 19.3 secs Computing kpt #: 19 total cpu time spent up to now is 20.4 secs Computing kpt #: 20 total cpu time spent up to now is 21.2 secs Computing kpt #: 21 total cpu time spent up to now is 22.1 secs Computing kpt #: 22 total cpu time spent up to now is 23.0 secs Computing kpt #: 23 total cpu time spent up to now is 23.9 secs Computing kpt #: 24 total cpu time spent up to now is 24.8 secs Computing kpt #: 25 total cpu time spent up to now is 25.7 secs Computing kpt #: 26 total cpu time spent up to now is 26.7 secs Computing kpt #: 27 total cpu time spent up to now is 27.6 secs Computing kpt #: 28 total cpu time spent up to now is 28.6 secs Computing kpt #: 29 total cpu time spent up to now is 29.7 secs Computing kpt #: 30 total cpu time spent up to now is 30.7 secs Computing kpt #: 31 total cpu time spent up to now is 31.8 secs Computing kpt #: 32 total cpu time spent up to now is 32.8 secs Computing kpt #: 33 total cpu time spent up to now is 33.9 secs Computing kpt #: 34 total cpu time spent up to now is 34.9 secs Computing kpt #: 35 total cpu time spent up to now is 35.9 secs Computing kpt #: 36 total cpu time spent up to now is 37.1 secs Computing kpt #: 37 total cpu time spent up to now is 38.2 secs Computing kpt #: 38 total cpu time spent up to now is 39.3 secs Computing kpt #: 39 total cpu time spent up to now is 40.2 secs Computing kpt #: 40 total cpu time spent up to now is 41.1 secs Computing kpt #: 41 total cpu time spent up to now is 42.0 secs Computing kpt #: 42 total cpu time spent up to now is 42.9 secs Computing kpt #: 43 total cpu time spent up to now is 43.8 secs Computing kpt #: 44 total cpu time spent up to now is 44.7 secs Computing kpt #: 45 total cpu time spent up to now is 45.5 secs Computing kpt #: 46 total cpu time spent up to now is 46.4 secs Computing kpt #: 47 total cpu time spent up to now is 47.3 secs Computing kpt #: 48 total cpu time spent up to now is 48.2 secs Computing kpt #: 49 total cpu time spent up to now is 49.0 secs Computing kpt #: 50 total cpu time spent up to now is 49.9 secs Computing kpt #: 51 total cpu time spent up to now is 50.7 secs Computing kpt #: 52 total cpu time spent up to now is 51.6 secs Computing kpt #: 53 total cpu time spent up to now is 52.5 secs Computing kpt #: 54 total cpu time spent up to now is 53.3 secs Computing kpt #: 55 total cpu time spent up to now is 54.1 secs Computing kpt #: 56 total cpu time spent up to now is 55.0 secs Computing kpt #: 57 total cpu time spent up to now is 55.8 secs Computing kpt #: 58 total cpu time spent up to now is 56.7 secs Computing kpt #: 59 total cpu time spent up to now is 57.5 secs Computing kpt #: 60 total cpu time spent up to now is 58.3 secs Computing kpt #: 61 total cpu time spent up to now is 59.1 secs Computing kpt #: 62 total cpu time spent up to now is 59.9 secs Computing kpt #: 63 total cpu time spent up to now is 60.7 secs Computing kpt #: 64 total cpu time spent up to now is 61.5 secs Computing kpt #: 65 total cpu time spent up to now is 62.3 secs Computing kpt #: 66 total cpu time spent up to now is 63.1 secs Computing kpt #: 67 total cpu time spent up to now is 63.9 secs Computing kpt #: 68 total cpu time spent up to now is 64.7 secs Computing kpt #: 69 total cpu time spent up to now is 65.4 secs Computing kpt #: 70 total cpu time spent up to now is 66.2 secs Computing kpt #: 71 total cpu time spent up to now is 67.0 secs Computing kpt #: 72 total cpu time spent up to now is 67.7 secs Computing kpt #: 73 total cpu time spent up to now is 68.5 secs Computing kpt #: 74 total cpu time spent up to now is 69.2 secs Computing kpt #: 75 total cpu time spent up to now is 70.0 secs Computing kpt #: 76 total cpu time spent up to now is 70.7 secs Computing kpt #: 77 total cpu time spent up to now is 71.5 secs Computing kpt #: 78 total cpu time spent up to now is 72.3 secs Computing kpt #: 79 total cpu time spent up to now is 73.0 secs Computing kpt #: 80 total cpu time spent up to now is 73.8 secs Computing kpt #: 81 total cpu time spent up to now is 74.6 secs Computing kpt #: 82 total cpu time spent up to now is 75.3 secs Computing kpt #: 83 total cpu time spent up to now is 76.1 secs Computing kpt #: 84 total cpu time spent up to now is 76.9 secs Computing kpt #: 85 total cpu time spent up to now is 77.7 secs Computing kpt #: 86 total cpu time spent up to now is 78.5 secs Computing kpt #: 87 total cpu time spent up to now is 79.3 secs Computing kpt #: 88 total cpu time spent up to now is 80.0 secs Computing kpt #: 89 total cpu time spent up to now is 80.8 secs Computing kpt #: 90 total cpu time spent up to now is 81.6 secs Computing kpt #: 91 total cpu time spent up to now is 82.4 secs Computing kpt #: 92 total cpu time spent up to now is 83.2 secs Computing kpt #: 93 total cpu time spent up to now is 84.1 secs Computing kpt #: 94 total cpu time spent up to now is 84.9 secs Computing kpt #: 95 total cpu time spent up to now is 85.8 secs Computing kpt #: 96 total cpu time spent up to now is 86.7 secs Computing kpt #: 97 total cpu time spent up to now is 87.5 secs Computing kpt #: 98 total cpu time spent up to now is 88.4 secs Computing kpt #: 99 total cpu time spent up to now is 89.5 secs Computing kpt #: 100 total cpu time spent up to now is 90.5 secs Computing kpt #: 101 total cpu time spent up to now is 91.5 secs Computing kpt #: 102 total cpu time spent up to now is 92.6 secs Computing kpt #: 103 total cpu time spent up to now is 93.6 secs Computing kpt #: 104 total cpu time spent up to now is 94.5 secs Computing kpt #: 105 total cpu time spent up to now is 95.5 secs Computing kpt #: 106 total cpu time spent up to now is 96.5 secs Computing kpt #: 107 total cpu time spent up to now is 97.5 secs Computing kpt #: 108 total cpu time spent up to now is 98.5 secs Computing kpt #: 109 total cpu time spent up to now is 99.5 secs Computing kpt #: 110 total cpu time spent up to now is 100.6 secs Computing kpt #: 111 total cpu time spent up to now is 101.6 secs Computing kpt #: 112 total cpu time spent up to now is 102.6 secs Computing kpt #: 113 total cpu time spent up to now is 103.6 secs Computing kpt #: 114 total cpu time spent up to now is 104.6 secs Computing kpt #: 115 total cpu time spent up to now is 105.6 secs Computing kpt #: 116 total cpu time spent up to now is 106.7 secs Computing kpt #: 117 total cpu time spent up to now is 107.6 secs Computing kpt #: 118 total cpu time spent up to now is 108.6 secs Computing kpt #: 119 total cpu time spent up to now is 109.6 secs Computing kpt #: 120 total cpu time spent up to now is 110.6 secs Computing kpt #: 121 total cpu time spent up to now is 111.5 secs Computing kpt #: 122 total cpu time spent up to now is 112.5 secs Computing kpt #: 123 total cpu time spent up to now is 113.5 secs Computing kpt #: 124 total cpu time spent up to now is 114.4 secs Computing kpt #: 125 total cpu time spent up to now is 115.4 secs Computing kpt #: 126 total cpu time spent up to now is 116.4 secs Computing kpt #: 127 total cpu time spent up to now is 117.3 secs Computing kpt #: 128 total cpu time spent up to now is 118.3 secs Computing kpt #: 129 total cpu time spent up to now is 119.3 secs Computing kpt #: 130 total cpu time spent up to now is 120.2 secs Computing kpt #: 131 total cpu time spent up to now is 121.2 secs Computing kpt #: 132 total cpu time spent up to now is 122.2 secs Computing kpt #: 133 total cpu time spent up to now is 123.0 secs Computing kpt #: 134 total cpu time spent up to now is 123.8 secs Computing kpt #: 135 total cpu time spent up to now is 124.7 secs Computing kpt #: 136 total cpu time spent up to now is 125.6 secs Computing kpt #: 137 total cpu time spent up to now is 126.6 secs Computing kpt #: 138 total cpu time spent up to now is 127.4 secs Computing kpt #: 139 total cpu time spent up to now is 128.4 secs Computing kpt #: 140 total cpu time spent up to now is 129.3 secs Computing kpt #: 141 total cpu time spent up to now is 130.1 secs Computing kpt #: 142 total cpu time spent up to now is 130.9 secs Computing kpt #: 143 total cpu time spent up to now is 131.8 secs Computing kpt #: 144 total cpu time spent up to now is 132.6 secs Computing kpt #: 145 total cpu time spent up to now is 133.5 secs Computing kpt #: 146 total cpu time spent up to now is 134.3 secs Computing kpt #: 147 total cpu time spent up to now is 135.1 secs Computing kpt #: 148 total cpu time spent up to now is 135.9 secs Computing kpt #: 149 total cpu time spent up to now is 136.7 secs Computing kpt #: 150 total cpu time spent up to now is 137.5 secs Computing kpt #: 151 total cpu time spent up to now is 138.4 secs Computing kpt #: 152 total cpu time spent up to now is 139.2 secs Computing kpt #: 153 total cpu time spent up to now is 140.0 secs Computing kpt #: 154 total cpu time spent up to now is 140.8 secs Computing kpt #: 155 total cpu time spent up to now is 141.7 secs Computing kpt #: 156 total cpu time spent up to now is 142.6 secs Computing kpt #: 157 total cpu time spent up to now is 143.4 secs Computing kpt #: 158 total cpu time spent up to now is 144.3 secs Computing kpt #: 159 total cpu time spent up to now is 145.2 secs Computing kpt #: 160 total cpu time spent up to now is 146.1 secs Computing kpt #: 161 total cpu time spent up to now is 147.1 secs Computing kpt #: 162 total cpu time spent up to now is 147.9 secs Computing kpt #: 163 total cpu time spent up to now is 148.8 secs Computing kpt #: 164 total cpu time spent up to now is 149.6 secs Computing kpt #: 165 total cpu time spent up to now is 150.5 secs Computing kpt #: 166 total cpu time spent up to now is 151.4 secs Computing kpt #: 167 total cpu time spent up to now is 152.3 secs Computing kpt #: 168 total cpu time spent up to now is 153.1 secs Computing kpt #: 169 total cpu time spent up to now is 154.0 secs Computing kpt #: 170 total cpu time spent up to now is 154.9 secs Computing kpt #: 171 total cpu time spent up to now is 155.7 secs Computing kpt #: 172 total cpu time spent up to now is 156.6 secs Computing kpt #: 173 total cpu time spent up to now is 157.4 secs Computing kpt #: 174 total cpu time spent up to now is 158.3 secs Computing kpt #: 175 total cpu time spent up to now is 159.1 secs Computing kpt #: 176 total cpu time spent up to now is 160.0 secs Computing kpt #: 177 total cpu time spent up to now is 160.9 secs Computing kpt #: 178 total cpu time spent up to now is 161.7 secs Computing kpt #: 179 total cpu time spent up to now is 162.6 secs Computing kpt #: 180 total cpu time spent up to now is 163.4 secs Computing kpt #: 181 total cpu time spent up to now is 164.3 secs Computing kpt #: 182 total cpu time spent up to now is 165.1 secs Computing kpt #: 183 total cpu time spent up to now is 166.0 secs Computing kpt #: 184 total cpu time spent up to now is 166.8 secs Computing kpt #: 185 total cpu time spent up to now is 167.6 secs Computing kpt #: 186 total cpu time spent up to now is 168.5 secs Computing kpt #: 187 total cpu time spent up to now is 169.4 secs Computing kpt #: 188 total cpu time spent up to now is 170.2 secs Computing kpt #: 189 total cpu time spent up to now is 171.0 secs Computing kpt #: 190 total cpu time spent up to now is 171.9 secs Computing kpt #: 191 total cpu time spent up to now is 172.7 secs Computing kpt #: 192 total cpu time spent up to now is 173.6 secs Computing kpt #: 193 total cpu time spent up to now is 174.4 secs Computing kpt #: 194 total cpu time spent up to now is 175.3 secs Computing kpt #: 195 total cpu time spent up to now is 176.3 secs Computing kpt #: 196 total cpu time spent up to now is 177.4 secs Computing kpt #: 197 total cpu time spent up to now is 178.3 secs Computing kpt #: 198 total cpu time spent up to now is 179.2 secs Computing kpt #: 199 total cpu time spent up to now is 180.0 secs Computing kpt #: 200 total cpu time spent up to now is 180.9 secs Computing kpt #: 201 total cpu time spent up to now is 181.8 secs Computing kpt #: 202 total cpu time spent up to now is 182.7 secs Computing kpt #: 203 total cpu time spent up to now is 183.5 secs Computing kpt #: 204 total cpu time spent up to now is 184.4 secs Computing kpt #: 205 total cpu time spent up to now is 185.3 secs Computing kpt #: 206 total cpu time spent up to now is 186.1 secs Computing kpt #: 207 total cpu time spent up to now is 187.0 secs Computing kpt #: 208 total cpu time spent up to now is 187.8 secs Computing kpt #: 209 total cpu time spent up to now is 188.7 secs Computing kpt #: 210 total cpu time spent up to now is 189.6 secs Computing kpt #: 211 total cpu time spent up to now is 190.4 secs Computing kpt #: 212 total cpu time spent up to now is 191.3 secs Computing kpt #: 213 total cpu time spent up to now is 192.1 secs Computing kpt #: 214 total cpu time spent up to now is 192.9 secs Computing kpt #: 215 total cpu time spent up to now is 193.8 secs Computing kpt #: 216 total cpu time spent up to now is 194.6 secs Computing kpt #: 217 total cpu time spent up to now is 195.4 secs Computing kpt #: 218 total cpu time spent up to now is 196.2 secs Computing kpt #: 219 total cpu time spent up to now is 197.0 secs Computing kpt #: 220 total cpu time spent up to now is 197.8 secs Computing kpt #: 221 total cpu time spent up to now is 198.6 secs Computing kpt #: 222 total cpu time spent up to now is 199.4 secs Computing kpt #: 223 total cpu time spent up to now is 200.2 secs Computing kpt #: 224 total cpu time spent up to now is 201.0 secs Computing kpt #: 225 total cpu time spent up to now is 201.8 secs Computing kpt #: 226 total cpu time spent up to now is 202.6 secs Computing kpt #: 227 total cpu time spent up to now is 203.4 secs Computing kpt #: 228 total cpu time spent up to now is 204.2 secs Computing kpt #: 229 total cpu time spent up to now is 205.1 secs Computing kpt #: 230 total cpu time spent up to now is 205.9 secs Computing kpt #: 231 total cpu time spent up to now is 206.7 secs Computing kpt #: 232 total cpu time spent up to now is 207.6 secs Computing kpt #: 233 total cpu time spent up to now is 208.5 secs Computing kpt #: 234 total cpu time spent up to now is 209.3 secs Computing kpt #: 235 total cpu time spent up to now is 210.2 secs Computing kpt #: 236 total cpu time spent up to now is 211.1 secs Computing kpt #: 237 total cpu time spent up to now is 211.9 secs Computing kpt #: 238 total cpu time spent up to now is 212.8 secs Computing kpt #: 239 total cpu time spent up to now is 213.9 secs Computing kpt #: 240 total cpu time spent up to now is 214.8 secs Computing kpt #: 241 total cpu time spent up to now is 215.8 secs Computing kpt #: 242 total cpu time spent up to now is 216.7 secs Computing kpt #: 243 total cpu time spent up to now is 217.8 secs Computing kpt #: 244 total cpu time spent up to now is 218.8 secs Computing kpt #: 245 total cpu time spent up to now is 219.9 secs Computing kpt #: 246 total cpu time spent up to now is 220.9 secs Computing kpt #: 247 total cpu time spent up to now is 222.0 secs Computing kpt #: 248 total cpu time spent up to now is 223.0 secs Computing kpt #: 249 total cpu time spent up to now is 224.1 secs Computing kpt #: 250 total cpu time spent up to now is 225.1 secs Computing kpt #: 251 total cpu time spent up to now is 226.2 secs Computing kpt #: 252 total cpu time spent up to now is 227.3 secs Computing kpt #: 253 total cpu time spent up to now is 228.4 secs Computing kpt #: 254 total cpu time spent up to now is 229.5 secs Computing kpt #: 255 total cpu time spent up to now is 230.6 secs Computing kpt #: 256 total cpu time spent up to now is 231.6 secs Computing kpt #: 257 total cpu time spent up to now is 232.7 secs Computing kpt #: 258 total cpu time spent up to now is 233.8 secs Computing kpt #: 259 total cpu time spent up to now is 234.8 secs Computing kpt #: 260 total cpu time spent up to now is 235.8 secs Computing kpt #: 261 total cpu time spent up to now is 236.7 secs Computing kpt #: 262 total cpu time spent up to now is 237.6 secs Computing kpt #: 263 total cpu time spent up to now is 238.7 secs Computing kpt #: 264 total cpu time spent up to now is 239.7 secs Computing kpt #: 265 total cpu time spent up to now is 240.7 secs Computing kpt #: 266 total cpu time spent up to now is 241.6 secs Computing kpt #: 267 total cpu time spent up to now is 242.5 secs Computing kpt #: 268 total cpu time spent up to now is 243.3 secs Computing kpt #: 269 total cpu time spent up to now is 244.1 secs Computing kpt #: 270 total cpu time spent up to now is 245.0 secs Computing kpt #: 271 total cpu time spent up to now is 245.8 secs Computing kpt #: 272 total cpu time spent up to now is 246.6 secs Computing kpt #: 273 total cpu time spent up to now is 247.4 secs Computing kpt #: 274 total cpu time spent up to now is 248.3 secs Computing kpt #: 275 total cpu time spent up to now is 249.1 secs Computing kpt #: 276 total cpu time spent up to now is 250.2 secs Computing kpt #: 277 total cpu time spent up to now is 251.3 secs Computing kpt #: 278 total cpu time spent up to now is 252.4 secs Computing kpt #: 279 total cpu time spent up to now is 253.5 secs Computing kpt #: 280 total cpu time spent up to now is 254.5 secs Computing kpt #: 281 total cpu time spent up to now is 255.6 secs Computing kpt #: 282 total cpu time spent up to now is 256.7 secs Computing kpt #: 283 total cpu time spent up to now is 257.7 secs Computing kpt #: 284 total cpu time spent up to now is 258.8 secs Computing kpt #: 285 total cpu time spent up to now is 259.8 secs Computing kpt #: 286 total cpu time spent up to now is 260.7 secs Computing kpt #: 287 total cpu time spent up to now is 261.6 secs Computing kpt #: 288 total cpu time spent up to now is 262.6 secs Computing kpt #: 289 total cpu time spent up to now is 263.5 secs Computing kpt #: 290 total cpu time spent up to now is 264.3 secs Computing kpt #: 291 total cpu time spent up to now is 265.2 secs Computing kpt #: 292 total cpu time spent up to now is 266.1 secs Computing kpt #: 293 total cpu time spent up to now is 267.0 secs Computing kpt #: 294 total cpu time spent up to now is 267.8 secs Computing kpt #: 295 total cpu time spent up to now is 268.7 secs Computing kpt #: 296 total cpu time spent up to now is 269.6 secs Computing kpt #: 297 total cpu time spent up to now is 270.4 secs Computing kpt #: 298 total cpu time spent up to now is 271.3 secs Computing kpt #: 299 total cpu time spent up to now is 272.0 secs Computing kpt #: 300 total cpu time spent up to now is 272.8 secs Computing kpt #: 301 total cpu time spent up to now is 273.5 secs Computing kpt #: 302 total cpu time spent up to now is 274.3 secs Computing kpt #: 303 total cpu time spent up to now is 275.0 secs Computing kpt #: 304 total cpu time spent up to now is 275.8 secs Computing kpt #: 305 total cpu time spent up to now is 276.5 secs Computing kpt #: 306 total cpu time spent up to now is 277.3 secs Computing kpt #: 307 total cpu time spent up to now is 278.1 secs Computing kpt #: 308 total cpu time spent up to now is 278.9 secs Computing kpt #: 309 total cpu time spent up to now is 279.6 secs Computing kpt #: 310 total cpu time spent up to now is 280.4 secs Computing kpt #: 311 total cpu time spent up to now is 281.2 secs Computing kpt #: 312 total cpu time spent up to now is 281.9 secs Computing kpt #: 313 total cpu time spent up to now is 282.7 secs Computing kpt #: 314 total cpu time spent up to now is 283.5 secs Computing kpt #: 315 total cpu time spent up to now is 284.3 secs Computing kpt #: 316 total cpu time spent up to now is 285.1 secs Computing kpt #: 317 total cpu time spent up to now is 285.9 secs Computing kpt #: 318 total cpu time spent up to now is 286.6 secs Computing kpt #: 319 total cpu time spent up to now is 287.4 secs Computing kpt #: 320 total cpu time spent up to now is 288.2 secs Computing kpt #: 321 total cpu time spent up to now is 289.0 secs ethr = 2.78E-08, avg # of iterations = 18.7 total cpu time spent up to now is 289.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 16933 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1142 -22.1142 -22.0328 -22.0328 -6.9707 -6.9707 -6.7876 -6.7876 -6.4358 -6.4358 -6.2048 -6.2048 -6.0288 -6.0288 -5.9736 -5.9736 -5.7397 -5.7397 -5.4652 -5.4652 2.7300 2.7300 3.1132 3.1132 3.1698 3.1698 3.7674 3.7674 4.0038 4.0038 4.0575 4.0575 6.9798 6.9798 7.6861 7.6861 8.6104 8.6104 8.9005 8.9005 k = 0.0000 0.0139-0.0000 ( 16923 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1142 -22.1142 -22.0328 -22.0328 -6.9710 -6.9710 -6.7876 -6.7876 -6.4372 -6.4372 -6.2047 -6.2047 -6.0274 -6.0274 -5.9747 -5.9747 -5.7384 -5.7384 -5.4652 -5.4652 2.7308 2.7308 3.1116 3.1116 3.1682 3.1682 3.7695 3.7695 4.0015 4.0015 4.0551 4.0551 6.9842 6.9842 7.6885 7.6885 8.6111 8.6111 8.9036 8.9036 k = 0.0000 0.0278-0.0000 ( 16915 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1140 -22.1140 -22.0329 -22.0329 -6.9720 -6.9720 -6.7877 -6.7877 -6.4415 -6.4415 -6.2041 -6.2041 -6.0233 -6.0233 -5.9779 -5.9779 -5.7346 -5.7346 -5.4655 -5.4655 2.7330 2.7330 3.1062 3.1062 3.1641 3.1641 3.7758 3.7758 3.9943 3.9943 4.0486 4.0486 6.9973 6.9973 7.6956 7.6956 8.6129 8.6129 8.9129 8.9129 k = 0.0000 0.0417-0.0000 ( 16927 PWs) bands (ev): -40.3426 -40.3426 -40.3326 -40.3326 -22.1137 -22.1137 -22.0330 -22.0330 -6.9738 -6.9738 -6.7878 -6.7878 -6.4484 -6.4484 -6.2032 -6.2032 -6.0169 -6.0169 -5.9828 -5.9828 -5.7284 -5.7284 -5.4658 -5.4658 2.7368 2.7368 3.0954 3.0954 3.1598 3.1598 3.7856 3.7856 3.9809 3.9809 4.0396 4.0396 7.0188 7.0188 7.7073 7.7073 8.6160 8.6160 8.9281 8.9281 k = 0.0000 0.0556-0.0000 ( 16913 PWs) bands (ev): -40.3426 -40.3426 -40.3327 -40.3327 -22.1134 -22.1134 -22.0331 -22.0331 -6.9762 -6.9762 -6.7879 -6.7879 -6.4575 -6.4575 -6.2019 -6.2019 -6.0090 -6.0090 -5.9884 -5.9884 -5.7204 -5.7204 -5.4663 -5.4663 2.7420 2.7420 3.0781 3.0781 3.1570 3.1570 3.7978 3.7978 3.9602 3.9602 4.0298 4.0298 7.0484 7.0484 7.7235 7.7235 8.6199 8.6199 8.9492 8.9492 k = 0.0000 0.0694-0.0000 ( 16921 PWs) bands (ev): -40.3426 -40.3426 -40.3327 -40.3327 -22.1129 -22.1129 -22.0333 -22.0333 -6.9793 -6.9793 -6.7882 -6.7882 -6.4684 -6.4684 -6.2003 -6.2003 -6.0045 -6.0045 -5.9899 -5.9899 -5.7109 -5.7109 -5.4668 -5.4668 2.7486 2.7486 3.0548 3.0548 3.1563 3.1563 3.8108 3.8108 3.9329 3.9329 4.0201 4.0201 7.0854 7.0854 7.7441 7.7441 8.6246 8.6246 8.9756 8.9756 k = 0.0000 0.0833-0.0000 ( 16903 PWs) bands (ev): -40.3425 -40.3425 -40.3327 -40.3327 -22.1123 -22.1123 -22.0335 -22.0335 -6.9830 -6.9830 -6.7887 -6.7887 -6.4806 -6.4806 -6.1984 -6.1984 -6.0098 -6.0098 -5.9809 -5.9809 -5.7004 -5.7004 -5.4673 -5.4673 2.7567 2.7567 3.0266 3.0266 3.1574 3.1574 3.8214 3.8214 3.9024 3.9024 4.0102 4.0102 7.1293 7.1293 7.7688 7.7688 8.6298 8.6298 9.0070 9.0070 k = 0.0000 0.0972-0.0000 ( 16903 PWs) bands (ev): -40.3425 -40.3425 -40.3328 -40.3328 -22.1115 -22.1115 -22.0338 -22.0338 -6.9874 -6.9874 -6.7895 -6.7895 -6.4936 -6.4936 -6.1964 -6.1964 -6.0184 -6.0184 -5.9679 -5.9679 -5.6891 -5.6891 -5.4678 -5.4678 2.7660 2.7660 2.9948 2.9948 3.1598 3.1598 3.8178 3.8178 3.8806 3.8806 4.0000 4.0000 7.1793 7.1793 7.7973 7.7973 8.6351 8.6351 9.0427 9.0427 k = 0.0000 0.1111-0.0000 ( 16907 PWs) bands (ev): -40.3424 -40.3424 -40.3329 -40.3329 -22.1107 -22.1107 -22.0341 -22.0341 -6.9924 -6.9924 -6.7908 -6.7908 -6.5070 -6.5070 -6.1941 -6.1941 -6.0275 -6.0275 -5.9537 -5.9537 -5.6775 -5.6775 -5.4682 -5.4682 2.7766 2.7766 2.9604 2.9604 3.1632 3.1632 3.7866 3.7866 3.8812 3.8812 3.9894 3.9894 7.2347 7.2347 7.8294 7.8294 8.6403 8.6403 9.0820 9.0820 k = 0.0000 0.1250-0.0000 ( 16913 PWs) bands (ev): -40.3423 -40.3423 -40.3330 -40.3330 -22.1098 -22.1098 -22.0345 -22.0345 -6.9980 -6.9980 -6.7927 -6.7927 -6.5203 -6.5203 -6.1919 -6.1919 -6.0368 -6.0368 -5.9388 -5.9388 -5.6658 -5.6658 -5.4684 -5.4684 2.7883 2.7883 2.9243 2.9243 3.1674 3.1674 3.7406 3.7406 3.8916 3.8916 3.9786 3.9786 7.2950 7.2950 7.8645 7.8645 8.6453 8.6453 9.1238 9.1238 k = 0.0000 0.1389-0.0000 ( 16911 PWs) bands (ev): -40.3422 -40.3422 -40.3330 -40.3330 -22.1088 -22.1088 -22.0349 -22.0349 -7.0040 -7.0040 -6.7955 -6.7955 -6.5330 -6.5330 -6.1897 -6.1897 -6.0458 -6.0458 -5.9235 -5.9235 -5.6542 -5.6542 -5.4682 -5.4682 2.8010 2.8010 2.8871 2.8871 3.1724 3.1724 3.6889 3.6889 3.9022 3.9022 3.9684 3.9684 7.3595 7.3595 7.9022 7.9022 8.6498 8.6498 9.1670 9.1670 k = 0.0000 0.1528-0.0000 ( 16907 PWs) bands (ev): -40.3421 -40.3421 -40.3331 -40.3331 -22.1077 -22.1077 -22.0354 -22.0354 -7.0106 -7.0106 -6.7994 -6.7994 -6.5446 -6.5446 -6.1877 -6.1877 -6.0542 -6.0542 -5.9083 -5.9083 -5.6429 -5.6429 -5.4677 -5.4677 2.8138 2.8138 2.8500 2.8500 3.1780 3.1780 3.6343 3.6343 3.9091 3.9091 3.9606 3.9606 7.4276 7.4276 7.9418 7.9418 8.6541 8.6541 9.2103 9.2103 k = 0.0000 0.1667-0.0000 ( 16903 PWs) bands (ev): -40.3420 -40.3420 -40.3332 -40.3332 -22.1065 -22.1065 -22.0359 -22.0359 -7.0175 -7.0175 -6.8046 -6.8046 -6.5547 -6.5547 -6.1862 -6.1862 -6.0618 -6.0618 -5.8932 -5.8932 -5.6322 -5.6322 -5.4666 -5.4666 2.8079 2.8079 2.8321 2.8321 3.1841 3.1841 3.5780 3.5780 3.9084 3.9084 3.9583 3.9583 7.4987 7.4987 7.9826 7.9826 8.6586 8.6586 9.2521 9.2521 k = 0.0000 0.1806-0.0000 ( 16873 PWs) bands (ev): -40.3419 -40.3419 -40.3333 -40.3333 -22.1052 -22.1052 -22.0365 -22.0365 -7.0247 -7.0247 -6.8113 -6.8113 -6.5630 -6.5630 -6.1854 -6.1854 -6.0682 -6.0682 -5.8787 -5.8787 -5.6220 -5.6220 -5.4649 -5.4649 2.7715 2.7715 2.8452 2.8452 3.1909 3.1909 3.5212 3.5212 3.8997 3.8997 3.9614 3.9614 7.5724 7.5724 8.0236 8.0236 8.6638 8.6638 9.2907 9.2907 k = 0.0000 0.1944-0.0000 ( 16897 PWs) bands (ev): -40.3418 -40.3418 -40.3335 -40.3335 -22.1039 -22.1039 -22.0371 -22.0371 -7.0322 -7.0322 -6.8197 -6.8197 -6.5693 -6.5693 -6.1856 -6.1856 -6.0731 -6.0731 -5.8649 -5.8649 -5.6125 -5.6125 -5.4625 -5.4625 2.7341 2.7341 2.8596 2.8596 3.1982 3.1982 3.4649 3.4649 3.8864 3.8864 3.9664 3.9664 7.6481 7.6481 8.0638 8.0638 8.6708 8.6708 9.3246 9.3246 k = 0.0000 0.2083-0.0000 ( 16899 PWs) bands (ev): -40.3416 -40.3416 -40.3336 -40.3336 -22.1025 -22.1025 -22.0377 -22.0377 -7.0398 -7.0398 -6.8298 -6.8298 -6.5733 -6.5733 -6.1871 -6.1871 -6.0763 -6.0763 -5.8520 -5.8520 -5.6037 -5.6037 -5.4595 -5.4595 2.6974 2.6974 2.8735 2.8735 3.2060 3.2060 3.4101 3.4101 3.8707 3.8707 3.9710 3.9710 7.7254 7.7254 8.1019 8.1019 8.6808 8.6808 9.3522 9.3522 k = 0.0000 0.2222-0.0000 ( 16903 PWs) bands (ev): -40.3415 -40.3415 -40.3337 -40.3337 -22.1010 -22.1010 -22.0385 -22.0385 -7.0475 -7.0475 -6.8415 -6.8415 -6.5751 -6.5751 -6.1900 -6.1900 -6.0777 -6.0777 -5.8403 -5.8403 -5.5953 -5.5953 -5.4557 -5.4557 2.6617 2.6617 2.8858 2.8858 3.2142 3.2142 3.3583 3.3583 3.8536 3.8536 3.9741 3.9741 7.8038 7.8038 8.1367 8.1367 8.6952 8.6952 9.3723 9.3723 k = 0.0000 0.2361-0.0000 ( 16907 PWs) bands (ev): -40.3413 -40.3413 -40.3339 -40.3339 -22.0994 -22.0994 -22.0392 -22.0392 -7.0551 -7.0551 -6.8545 -6.8545 -6.5748 -6.5748 -6.1943 -6.1943 -6.0771 -6.0771 -5.8300 -5.8300 -5.5874 -5.5874 -5.4514 -5.4514 2.6272 2.6272 2.8952 2.8952 3.2228 3.2228 3.3112 3.3112 3.8356 3.8356 3.9752 3.9752 7.8829 7.8829 8.1671 8.1671 8.7151 8.7151 9.3847 9.3847 k = 0.0000 0.2500-0.0000 ( 16899 PWs) bands (ev): -40.3412 -40.3412 -40.3340 -40.3340 -22.0978 -22.0978 -22.0401 -22.0401 -7.0627 -7.0627 -6.8687 -6.8687 -6.5727 -6.5727 -6.1999 -6.1999 -6.0748 -6.0748 -5.8213 -5.8213 -5.5796 -5.5796 -5.4467 -5.4467 2.5941 2.5941 2.8996 2.8996 3.2314 3.2314 3.2716 3.2716 3.8168 3.8168 3.9742 3.9742 7.9619 7.9619 8.1925 8.1925 8.7415 8.7415 9.3895 9.3895 k = 0.0000 0.2639-0.0000 ( 16911 PWs) bands (ev): -40.3410 -40.3410 -40.3342 -40.3342 -22.0961 -22.0961 -22.0409 -22.0409 -7.0700 -7.0700 -6.8837 -6.8837 -6.5688 -6.5688 -6.2067 -6.2067 -6.0709 -6.0709 -5.8143 -5.8143 -5.5717 -5.5717 -5.4416 -5.4416 2.5627 2.5627 2.8968 2.8968 3.2334 3.2334 3.2483 3.2483 3.7976 3.7976 3.9708 3.9708 8.0403 8.0403 8.2127 8.2127 8.7747 8.7747 9.3876 9.3876 k = 0.0000 0.2778-0.0000 ( 16919 PWs) bands (ev): -40.3408 -40.3408 -40.3343 -40.3343 -22.0943 -22.0943 -22.0419 -22.0419 -7.0771 -7.0771 -6.8993 -6.8993 -6.5635 -6.5635 -6.2144 -6.2144 -6.0657 -6.0657 -5.8092 -5.8092 -5.5637 -5.5637 -5.4364 -5.4364 2.5330 2.5330 2.8845 2.8845 3.2184 3.2184 3.2543 3.2543 3.7779 3.7779 3.9651 3.9651 8.1172 8.1172 8.2282 8.2282 8.8142 8.8142 9.3805 9.3805 k = 0.0000 0.2917-0.0000 ( 16921 PWs) bands (ev): -40.3407 -40.3407 -40.3345 -40.3345 -22.0926 -22.0926 -22.0429 -22.0429 -7.0838 -7.0838 -6.9152 -6.9152 -6.5569 -6.5569 -6.2229 -6.2229 -6.0594 -6.0594 -5.8060 -5.8060 -5.5553 -5.5553 -5.4312 -5.4312 2.5054 2.5054 2.8627 2.8627 3.2119 3.2119 3.2645 3.2645 3.7579 3.7579 3.9570 3.9570 8.1917 8.1917 8.2401 8.2401 8.8591 8.8591 9.3703 9.3703 k = 0.0000 0.3056-0.0000 ( 16901 PWs) bands (ev): -40.3405 -40.3405 -40.3347 -40.3347 -22.0907 -22.0907 -22.0439 -22.0439 -7.0901 -7.0901 -6.9313 -6.9313 -6.5492 -6.5492 -6.2320 -6.2320 -6.0522 -6.0522 -5.8047 -5.8047 -5.5464 -5.5464 -5.4262 -5.4262 2.4798 2.4798 2.8328 2.8328 3.2156 3.2156 3.2756 3.2756 3.7378 3.7378 3.9465 3.9465 8.2478 8.2478 8.2642 8.2642 8.9085 8.9085 9.3590 9.3590 k = 0.0000 0.3194-0.0000 ( 16901 PWs) bands (ev): -40.3403 -40.3403 -40.3349 -40.3349 -22.0889 -22.0889 -22.0450 -22.0450 -7.0958 -7.0958 -6.9473 -6.9473 -6.5405 -6.5405 -6.2415 -6.2415 -6.0443 -6.0443 -5.8051 -5.8051 -5.5372 -5.5372 -5.4215 -5.4215 2.4565 2.4565 2.7975 2.7975 3.2274 3.2274 3.2874 3.2874 3.7175 3.7175 3.9338 3.9338 8.2561 8.2561 8.3294 8.3294 8.9612 8.9612 9.3490 9.3490 k = 0.0000 0.3333-0.0000 ( 16921 PWs) bands (ev): -40.3401 -40.3401 -40.3351 -40.3351 -22.0870 -22.0870 -22.0462 -22.0462 -7.1010 -7.1010 -6.9631 -6.9631 -6.5311 -6.5311 -6.2515 -6.2515 -6.0357 -6.0357 -5.8072 -5.8072 -5.5276 -5.5276 -5.4173 -5.4173 2.4356 2.4356 2.7592 2.7592 3.2448 3.2448 3.2998 3.2998 3.6972 3.6972 3.9189 3.9189 8.2630 8.2630 8.3888 8.3888 9.0163 9.0163 9.3427 9.3427 k = 0.0000 0.3472-0.0000 ( 16917 PWs) bands (ev): -40.3399 -40.3399 -40.3352 -40.3352 -22.0851 -22.0851 -22.0474 -22.0474 -7.1055 -7.1055 -6.9785 -6.9785 -6.5211 -6.5211 -6.2618 -6.2618 -6.0266 -6.0266 -5.8109 -5.8109 -5.5177 -5.5177 -5.4136 -5.4136 2.4171 2.4171 2.7197 2.7197 3.2660 3.2660 3.3131 3.3131 3.6770 3.6770 3.9018 3.9018 8.2701 8.2701 8.4399 8.4399 9.0730 9.0730 9.3424 9.3424 k = 0.0000 0.3611-0.0000 ( 16925 PWs) bands (ev): -40.3397 -40.3397 -40.3354 -40.3354 -22.0832 -22.0832 -22.0487 -22.0487 -7.1093 -7.1093 -6.9934 -6.9934 -6.5105 -6.5105 -6.2724 -6.2724 -6.0170 -6.0170 -5.8158 -5.8158 -5.5076 -5.5076 -5.4106 -5.4106 2.4012 2.4012 2.6804 2.6804 3.2892 3.2892 3.3278 3.3278 3.6568 3.6568 3.8827 3.8827 8.2778 8.2778 8.4810 8.4810 9.1307 9.1307 9.3502 9.3502 k = 0.0000 0.3750-0.0000 ( 16917 PWs) bands (ev): -40.3395 -40.3395 -40.3356 -40.3356 -22.0813 -22.0813 -22.0500 -22.0500 -7.1124 -7.1124 -7.0077 -7.0077 -6.4994 -6.4994 -6.2833 -6.2833 -6.0070 -6.0070 -5.8220 -5.8220 -5.4976 -5.4976 -5.4082 -5.4082 2.3880 2.3880 2.6420 2.6420 3.3128 3.3128 3.3447 3.3447 3.6368 3.6368 3.8617 3.8617 8.2867 8.2867 8.5110 8.5110 9.1890 9.1890 9.3671 9.3671 k = 0.0000 0.3889-0.0000 ( 16919 PWs) bands (ev): -40.3393 -40.3393 -40.3358 -40.3358 -22.0793 -22.0793 -22.0514 -22.0514 -7.1146 -7.1146 -7.0213 -7.0213 -6.4879 -6.4879 -6.2944 -6.2944 -5.9967 -5.9967 -5.8291 -5.8291 -5.4877 -5.4877 -5.4066 -5.4066 2.3774 2.3774 2.6052 2.6052 3.3344 3.3344 3.3656 3.3656 3.6169 3.6169 3.8389 3.8389 8.2970 8.2970 8.5296 8.5296 9.2475 9.2475 9.3936 9.3936 k = 0.0000 0.4028-0.0000 ( 16915 PWs) bands (ev): -40.3391 -40.3391 -40.3360 -40.3360 -22.0774 -22.0774 -22.0528 -22.0528 -7.1160 -7.1160 -7.0342 -7.0342 -6.4762 -6.4762 -6.3057 -6.3057 -5.9861 -5.9861 -5.8372 -5.8372 -5.4779 -5.4779 -5.4058 -5.4058 2.3697 2.3697 2.5703 2.5703 3.3530 3.3530 3.3910 3.3910 3.5974 3.5974 3.8145 3.8145 8.3089 8.3089 8.5377 8.5377 9.3061 9.3061 9.4284 9.4284 k = 0.0000 0.4167-0.0000 ( 16925 PWs) bands (ev): -40.3389 -40.3389 -40.3363 -40.3363 -22.0755 -22.0755 -22.0543 -22.0543 -7.1165 -7.1165 -7.0463 -7.0463 -6.4641 -6.4641 -6.3172 -6.3172 -5.9753 -5.9753 -5.8459 -5.8459 -5.4685 -5.4685 -5.4058 -5.4058 2.3649 2.3649 2.5377 2.5377 3.3697 3.3697 3.4195 3.4195 3.5781 3.5781 3.7886 3.7886 8.3226 8.3226 8.5367 8.5367 9.3645 9.3645 9.4697 9.4697 k = 0.0000 0.4306-0.0000 ( 16921 PWs) bands (ev): -40.3387 -40.3387 -40.3365 -40.3365 -22.0736 -22.0736 -22.0559 -22.0559 -7.1161 -7.1161 -7.0575 -7.0575 -6.4519 -6.4519 -6.3290 -6.3290 -5.9643 -5.9643 -5.8553 -5.8553 -5.4595 -5.4595 -5.4066 -5.4066 2.3630 2.3630 2.5075 2.5075 3.3858 3.3858 3.4497 3.4497 3.5593 3.5593 3.7614 3.7614 8.3379 8.3379 8.5286 8.5286 9.4224 9.4224 9.5148 9.5148 k = 0.0000 0.4444-0.0000 ( 16905 PWs) bands (ev): -40.3384 -40.3384 -40.3367 -40.3367 -22.0717 -22.0717 -22.0575 -22.0575 -7.1147 -7.1147 -7.0678 -7.0678 -6.4396 -6.4396 -6.3409 -6.3409 -5.9531 -5.9531 -5.8652 -5.8652 -5.4511 -5.4511 -5.4083 -5.4083 2.3640 2.3640 2.4800 2.4800 3.4017 3.4017 3.4804 3.4804 3.5412 3.5412 3.7330 3.7330 8.3549 8.3549 8.5150 8.5150 9.4794 9.4794 9.5607 9.5607 k = 0.0000 0.4583-0.0000 ( 16905 PWs) bands (ev): -40.3382 -40.3382 -40.3369 -40.3369 -22.0698 -22.0698 -22.0591 -22.0591 -7.1124 -7.1124 -7.0771 -7.0771 -6.4272 -6.4272 -6.3529 -6.3529 -5.9419 -5.9419 -5.8755 -5.8755 -5.4432 -5.4432 -5.4109 -5.4109 2.3681 2.3681 2.4552 2.4552 3.4177 3.4177 3.5073 3.5073 3.5278 3.5278 3.7035 3.7035 8.3734 8.3734 8.4977 8.4977 9.5346 9.5346 9.6035 9.6035 k = 0.0000 0.4722-0.0000 ( 16913 PWs) bands (ev): -40.3380 -40.3380 -40.3371 -40.3371 -22.0679 -22.0679 -22.0608 -22.0608 -7.1090 -7.1090 -7.0855 -7.0855 -6.4147 -6.4147 -6.3651 -6.3651 -5.9306 -5.9306 -5.8862 -5.8862 -5.4359 -5.4359 -5.4143 -5.4143 2.3751 2.3751 2.4333 2.4333 3.4340 3.4340 3.5011 3.5011 3.5481 3.5481 3.6732 3.6732 8.3932 8.3932 8.4780 8.4780 9.5859 9.5859 9.6385 9.6385 k = 0.0000 0.4861-0.0000 ( 16897 PWs) bands (ev): -40.3378 -40.3378 -40.3373 -40.3373 -22.0661 -22.0661 -22.0625 -22.0625 -7.1047 -7.1047 -7.0929 -7.0929 -6.4022 -6.4022 -6.3774 -6.3774 -5.9194 -5.9194 -5.8971 -5.8971 -5.4294 -5.4294 -5.4185 -5.4185 2.3851 2.3851 2.4143 2.4143 3.4506 3.4506 3.4844 3.4844 3.5792 3.5792 3.6423 3.6423 8.4140 8.4140 8.4570 8.4570 9.6292 9.6292 9.6593 9.6593 k = 0.0000 0.5000-0.0000 ( 16900 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.0993 -7.0993 -7.0993 -7.0993 -6.3898 -6.3898 -6.3898 -6.3898 -5.9082 -5.9082 -5.9082 -5.9082 -5.4235 -5.4235 -5.4235 -5.4235 2.3982 2.3982 2.3982 2.3982 3.4674 3.4674 3.4674 3.4674 3.6109 3.6109 3.6109 3.6109 8.4354 8.4354 8.4354 8.4354 9.6565 9.6565 9.6565 9.6565 k = 0.0000 0.5000-0.0000 ( 16900 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.0993 -7.0993 -7.0993 -7.0993 -6.3898 -6.3898 -6.3898 -6.3898 -5.9082 -5.9082 -5.9082 -5.9082 -5.4235 -5.4235 -5.4235 -5.4235 2.3982 2.3982 2.3982 2.3982 3.4674 3.4674 3.4674 3.4674 3.6109 3.6109 3.6109 3.6109 8.4354 8.4354 8.4354 8.4354 9.6565 9.6565 9.6565 9.6565 k = 0.0139 0.5000-0.0000 ( 16912 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.0996 -7.0996 -7.0983 -7.0983 -6.3920 -6.3920 -6.3875 -6.3875 -5.9094 -5.9094 -5.9074 -5.9074 -5.4249 -5.4249 -5.4234 -5.4234 2.3981 2.3981 2.3998 2.3998 3.4660 3.4660 3.4666 3.4666 3.6103 3.6103 3.6107 3.6107 8.4337 8.4337 8.4351 8.4351 9.6503 9.6503 9.6548 9.6548 k = 0.0278 0.5000-0.0000 ( 16916 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0642 -22.0642 -22.0642 -22.0642 -7.0991 -7.0991 -7.0965 -7.0965 -6.3941 -6.3941 -6.3852 -6.3852 -5.9112 -5.9112 -5.9071 -5.9071 -5.4275 -5.4275 -5.4244 -5.4244 2.3994 2.3994 2.4029 2.4029 3.4625 3.4625 3.4636 3.4636 3.6092 3.6092 3.6097 3.6097 8.4301 8.4301 8.4329 8.4329 9.6390 9.6390 9.6460 9.6460 k = 0.0417 0.5000-0.0000 ( 16912 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0641 -22.0641 -22.0641 -22.0641 -7.0979 -7.0979 -7.0941 -7.0941 -6.3961 -6.3961 -6.3827 -6.3827 -5.9135 -5.9135 -5.9074 -5.9074 -5.4314 -5.4314 -5.4267 -5.4267 2.4022 2.4022 2.4073 2.4073 3.4570 3.4570 3.4584 3.4584 3.6073 3.6073 3.6079 3.6079 8.4248 8.4248 8.4288 8.4288 9.6252 9.6252 9.6331 9.6331 k = 0.0556 0.5000-0.0000 ( 16906 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0640 -22.0640 -22.0640 -22.0640 -7.0961 -7.0961 -7.0909 -7.0909 -6.3980 -6.3980 -6.3802 -6.3802 -5.9163 -5.9163 -5.9081 -5.9081 -5.4364 -5.4364 -5.4302 -5.4302 2.4065 2.4065 2.4132 2.4132 3.4496 3.4496 3.4512 3.4512 3.6048 3.6048 3.6053 3.6053 8.4177 8.4177 8.4230 8.4230 9.6103 9.6103 9.6184 9.6184 k = 0.0694 0.5000-0.0000 ( 16898 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0639 -22.0639 -22.0639 -22.0639 -7.0935 -7.0935 -7.0871 -7.0871 -6.3998 -6.3998 -6.3775 -6.3775 -5.9195 -5.9195 -5.9092 -5.9092 -5.4425 -5.4425 -5.4349 -5.4349 2.4121 2.4121 2.4203 2.4203 3.4406 3.4406 3.4420 3.4420 3.6016 3.6016 3.6018 3.6018 8.4093 8.4093 8.4156 8.4156 9.5949 9.5949 9.6030 9.6030 k = 0.0833 0.5000-0.0000 ( 16900 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0637 -22.0637 -22.0637 -22.0637 -7.0903 -7.0903 -7.0826 -7.0826 -6.4015 -6.4015 -6.3748 -6.3748 -5.9232 -5.9232 -5.9108 -5.9108 -5.4499 -5.4499 -5.4408 -5.4408 2.4190 2.4190 2.4287 2.4287 3.4300 3.4300 3.4311 3.4311 3.5974 3.5974 3.5977 3.5977 8.3997 8.3997 8.4068 8.4068 9.5792 9.5792 9.5872 9.5872 k = 0.0972 0.5000-0.0000 ( 16916 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0635 -22.0635 -22.0635 -22.0635 -7.0864 -7.0864 -7.0775 -7.0775 -6.4030 -6.4030 -6.3718 -6.3718 -5.9273 -5.9273 -5.9127 -5.9127 -5.4584 -5.4584 -5.4479 -5.4479 2.4271 2.4271 2.4382 2.4382 3.4181 3.4181 3.4186 3.4186 3.5920 3.5920 3.5932 3.5932 8.3892 8.3892 8.3971 8.3971 9.5631 9.5631 9.5710 9.5710 k = 0.1111 0.5000-0.0000 ( 16906 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0633 -22.0633 -22.0633 -22.0633 -7.0820 -7.0820 -7.0718 -7.0718 -6.4043 -6.4043 -6.3688 -6.3688 -5.9317 -5.9317 -5.9150 -5.9150 -5.4680 -5.4680 -5.4562 -5.4562 2.4363 2.4363 2.4487 2.4487 3.4048 3.4048 3.4052 3.4052 3.5856 3.5856 3.5879 3.5879 8.3783 8.3783 8.3867 8.3867 9.5462 9.5462 9.5540 9.5540 k = 0.1250 0.5000-0.0000 ( 16902 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0630 -22.0630 -22.0630 -22.0630 -7.0770 -7.0770 -7.0655 -7.0655 -6.4054 -6.4054 -6.3655 -6.3655 -5.9365 -5.9365 -5.9176 -5.9176 -5.4787 -5.4787 -5.4657 -5.4657 2.4465 2.4465 2.4601 2.4601 3.3899 3.3899 3.3915 3.3915 3.5784 3.5784 3.5819 3.5819 8.3671 8.3671 8.3760 8.3760 9.5284 9.5284 9.5361 9.5361 k = 0.1389 0.5000-0.0000 ( 16914 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0627 -22.0627 -22.0627 -22.0627 -7.0715 -7.0715 -7.0588 -7.0588 -6.4063 -6.4063 -6.3620 -6.3620 -5.9416 -5.9416 -5.9204 -5.9204 -5.4904 -5.4904 -5.4763 -5.4763 2.4576 2.4576 2.4722 2.4722 3.3742 3.3742 3.3771 3.3771 3.5703 3.5703 3.5752 3.5752 8.3562 8.3562 8.3653 8.3653 9.5094 9.5094 9.5171 9.5171 k = 0.1528 0.5000-0.0000 ( 16910 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0624 -22.0624 -22.0624 -22.0624 -7.0655 -7.0655 -7.0516 -7.0516 -6.4068 -6.4068 -6.3582 -6.3582 -5.9470 -5.9470 -5.9235 -5.9235 -5.5032 -5.5032 -5.4880 -5.4880 2.4694 2.4694 2.4849 2.4849 3.3579 3.3579 3.3623 3.3623 3.5613 3.5613 3.5678 3.5678 8.3457 8.3457 8.3549 8.3549 9.4891 9.4891 9.4967 9.4967 k = 0.1667 0.5000-0.0000 ( 16916 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0621 -22.0621 -22.0621 -22.0621 -7.0591 -7.0591 -7.0440 -7.0440 -6.4070 -6.4070 -6.3541 -6.3541 -5.9526 -5.9526 -5.9268 -5.9268 -5.5170 -5.5170 -5.5009 -5.5009 2.4819 2.4819 2.4980 2.4980 3.3412 3.3412 3.3474 3.3474 3.5515 3.5515 3.5597 3.5597 8.3360 8.3360 8.3452 8.3452 9.4672 9.4672 9.4749 9.4749 k = 0.1806 0.5000-0.0000 ( 16928 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0618 -22.0618 -22.0617 -22.0617 -7.0523 -7.0523 -7.0362 -7.0362 -6.4067 -6.4067 -6.3497 -6.3497 -5.9583 -5.9583 -5.9301 -5.9301 -5.5317 -5.5317 -5.5147 -5.5147 2.4947 2.4947 2.5113 2.5113 3.3244 3.3244 3.3326 3.3326 3.5410 3.5410 3.5511 3.5511 8.3274 8.3274 8.3365 8.3365 9.4437 9.4437 9.4515 9.4515 k = 0.1944 0.5000-0.0000 ( 16936 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0614 -22.0614 -22.0614 -22.0614 -7.0453 -7.0453 -7.0281 -7.0281 -6.4059 -6.4059 -6.3448 -6.3448 -5.9642 -5.9642 -5.9336 -5.9336 -5.5473 -5.5473 -5.5296 -5.5296 2.5078 2.5078 2.5247 2.5247 3.3078 3.3078 3.3181 3.3181 3.5299 3.5299 3.5418 3.5418 8.3201 8.3201 8.3290 8.3290 9.4186 9.4186 9.4266 9.4266 k = 0.2083 0.5000-0.0000 ( 16924 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0610 -22.0610 -22.0610 -22.0610 -7.0381 -7.0381 -7.0198 -7.0198 -6.4045 -6.4045 -6.3395 -6.3395 -5.9701 -5.9701 -5.9371 -5.9371 -5.5638 -5.5638 -5.5455 -5.5455 2.5209 2.5209 2.5380 2.5380 3.2916 3.2916 3.3042 3.3042 3.5181 3.5181 3.5321 3.5321 8.3144 8.3144 8.3229 8.3229 9.3918 9.3918 9.3999 9.3999 k = 0.2222 0.5000-0.0000 ( 16920 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0607 -22.0607 -22.0607 -22.0607 -7.0306 -7.0306 -7.0116 -7.0116 -6.4025 -6.4025 -6.3337 -6.3337 -5.9762 -5.9762 -5.9406 -5.9406 -5.5810 -5.5810 -5.5623 -5.5623 2.5340 2.5340 2.5509 2.5509 3.2759 3.2759 3.2910 3.2910 3.5058 3.5058 3.5219 3.5219 8.3103 8.3103 8.3184 8.3184 9.3634 9.3634 9.3717 9.3717 k = 0.2361 0.5000-0.0000 ( 16930 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0603 -22.0603 -22.0603 -22.0603 -7.0232 -7.0232 -7.0033 -7.0033 -6.3998 -6.3998 -6.3273 -6.3273 -5.9823 -5.9823 -5.9440 -5.9440 -5.5990 -5.5990 -5.5800 -5.5800 2.5468 2.5468 2.5634 2.5634 3.2610 3.2610 3.2788 3.2788 3.4931 3.4931 3.5113 3.5113 8.3080 8.3080 8.3157 8.3157 9.3333 9.3333 9.3419 9.3419 k = 0.2500 0.5000-0.0000 ( 16934 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0599 -22.0599 -22.0599 -22.0599 -7.0156 -7.0156 -6.9952 -6.9952 -6.3962 -6.3962 -6.3203 -6.3203 -5.9885 -5.9885 -5.9474 -5.9474 -5.6176 -5.6176 -5.5985 -5.5985 2.5592 2.5592 2.5752 2.5752 3.2472 3.2472 3.2678 3.2678 3.4800 3.4800 3.5004 3.5004 8.3076 8.3076 8.3148 8.3148 9.3018 9.3018 9.3106 9.3106 k = 0.2639 0.5000-0.0000 ( 16918 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0595 -22.0595 -22.0595 -22.0595 -7.0082 -7.0082 -6.9872 -6.9872 -6.3918 -6.3918 -6.3125 -6.3125 -5.9947 -5.9947 -5.9508 -5.9508 -5.6368 -5.6368 -5.6177 -5.6177 2.5709 2.5709 2.5862 2.5862 3.2345 3.2345 3.2580 3.2580 3.4666 3.4666 3.4893 3.4893 8.3093 8.3093 8.3158 8.3158 9.2688 9.2688 9.2779 9.2779 k = 0.2778 0.5000-0.0000 ( 16906 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0591 -22.0591 -22.0591 -22.0591 -7.0008 -7.0008 -6.9796 -6.9796 -6.3864 -6.3864 -6.3041 -6.3041 -6.0009 -6.0009 -5.9540 -5.9540 -5.6564 -5.6564 -5.6377 -5.6377 2.5820 2.5820 2.5963 2.5963 3.2232 3.2232 3.2496 3.2496 3.4530 3.4530 3.4779 3.4779 8.3129 8.3129 8.3188 8.3188 9.2347 9.2347 9.2439 9.2439 k = 0.2917 0.5000-0.0000 ( 16910 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0587 -22.0587 -22.0587 -22.0587 -6.9937 -6.9937 -6.9723 -6.9723 -6.3799 -6.3799 -6.2948 -6.2948 -6.0072 -6.0072 -5.9572 -5.9572 -5.6764 -5.6764 -5.6582 -5.6582 2.5921 2.5921 2.6053 2.6053 3.2134 3.2134 3.2427 3.2427 3.4394 3.4394 3.4665 3.4665 8.3186 8.3186 8.3238 8.3238 9.1994 9.1994 9.2089 9.2089 k = 0.3056 0.5000-0.0000 ( 16894 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0584 -22.0584 -22.0584 -22.0584 -6.9867 -6.9867 -6.9655 -6.9655 -6.3724 -6.3724 -6.2847 -6.2847 -6.0137 -6.0137 -5.9602 -5.9602 -5.6967 -5.6967 -5.6792 -5.6792 2.6013 2.6013 2.6133 2.6133 3.2051 3.2051 3.2374 3.2374 3.4257 3.4257 3.4550 3.4550 8.3264 8.3264 8.3309 8.3309 9.1632 9.1632 9.1729 9.1729 k = 0.3194 0.5000-0.0000 ( 16892 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0580 -22.0580 -22.0580 -22.0580 -6.9801 -6.9801 -6.9592 -6.9592 -6.3638 -6.3638 -6.2736 -6.2736 -6.0203 -6.0203 -5.9631 -5.9631 -5.7170 -5.7170 -5.7007 -5.7007 2.6094 2.6094 2.6201 2.6201 3.1984 3.1984 3.2335 3.2335 3.4121 3.4121 3.4435 3.4435 8.3362 8.3362 8.3399 8.3399 9.1263 9.1263 9.1361 9.1361 k = 0.3333 0.5000-0.0000 ( 16874 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0577 -22.0577 -22.0577 -22.0577 -6.9737 -6.9737 -6.9534 -6.9534 -6.3540 -6.3540 -6.2617 -6.2617 -6.0271 -6.0271 -5.9660 -5.9660 -5.7372 -5.7372 -5.7224 -5.7224 2.6165 2.6165 2.6259 2.6259 3.1933 3.1933 3.2312 3.2312 3.3987 3.3987 3.4321 3.4321 8.3480 8.3480 8.3509 8.3509 9.0888 9.0888 9.0988 9.0988 k = 0.3472 0.5000-0.0000 ( 16874 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0574 -22.0574 -22.0574 -22.0574 -6.9678 -6.9678 -6.9482 -6.9482 -6.3431 -6.3431 -6.2489 -6.2489 -6.0343 -6.0343 -5.9688 -5.9688 -5.7573 -5.7573 -5.7443 -5.7443 2.6225 2.6225 2.6306 2.6306 3.1899 3.1899 3.2302 3.2302 3.3855 3.3855 3.4208 3.4208 8.3618 8.3618 8.3639 8.3639 9.0510 9.0510 9.0610 9.0610 k = 0.3611 0.5000-0.0000 ( 16874 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0571 -22.0571 -22.0571 -22.0571 -6.9622 -6.9622 -6.9437 -6.9437 -6.3310 -6.3310 -6.2351 -6.2351 -6.0419 -6.0419 -5.9716 -5.9716 -5.7768 -5.7768 -5.7662 -5.7662 2.6274 2.6274 2.6343 2.6343 3.1881 3.1881 3.2304 3.2304 3.3728 3.3728 3.4097 3.4097 8.3775 8.3775 8.3787 8.3787 9.0130 9.0130 9.0230 9.0230 k = 0.3750 0.5000-0.0000 ( 16858 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0568 -22.0568 -22.0568 -22.0568 -6.9570 -6.9570 -6.9397 -6.9397 -6.3179 -6.3179 -6.2204 -6.2204 -6.0500 -6.0500 -5.9746 -5.9746 -5.7958 -5.7958 -5.7878 -5.7878 2.6315 2.6315 2.6371 2.6371 3.1877 3.1877 3.2316 3.2316 3.3605 3.3605 3.3988 3.3988 8.3949 8.3949 8.3953 8.3953 8.9750 8.9750 8.9850 8.9850 k = 0.3889 0.5000-0.0000 ( 16870 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0565 -22.0565 -22.0565 -22.0565 -6.9523 -6.9523 -6.9364 -6.9364 -6.3037 -6.3037 -6.2049 -6.2049 -6.0589 -6.0589 -5.9780 -5.9780 -5.8138 -5.8138 -5.8089 -5.8089 2.6346 2.6346 2.6392 2.6392 3.1887 3.1887 3.2335 3.2335 3.3490 3.3490 3.3882 3.3882 8.4136 8.4136 8.4140 8.4140 8.9373 8.9373 8.9471 8.9471 k = 0.4028 0.5000-0.0000 ( 16874 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0563 -22.0563 -22.0563 -22.0563 -6.9480 -6.9480 -6.9337 -6.9337 -6.2886 -6.2886 -6.1885 -6.1885 -6.0686 -6.0686 -5.9819 -5.9819 -5.8306 -5.8306 -5.8291 -5.8291 2.6370 2.6370 2.6407 2.6407 3.1909 3.1909 3.2359 3.2359 3.3384 3.3384 3.3779 3.3779 8.4334 8.4334 8.4347 8.4347 8.9002 8.9002 8.9097 8.9097 k = 0.4167 0.5000-0.0000 ( 16872 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0561 -22.0561 -22.0561 -22.0561 -6.9441 -6.9441 -6.9316 -6.9316 -6.2727 -6.2727 -6.1715 -6.1715 -6.0793 -6.0793 -5.9868 -5.9868 -5.8477 -5.8477 -5.8461 -5.8461 2.6388 2.6388 2.6417 2.6417 3.1942 3.1942 3.2383 3.2383 3.3290 3.3290 3.3680 3.3680 8.4547 8.4547 8.4567 8.4567 8.8638 8.8638 8.8730 8.8730 k = 0.4306 0.5000-0.0000 ( 16862 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0559 -22.0559 -22.0559 -22.0559 -6.9407 -6.9407 -6.9300 -6.9300 -6.2560 -6.2560 -6.1541 -6.1541 -6.0908 -6.0908 -5.9931 -5.9931 -5.8643 -5.8643 -5.8599 -5.8599 2.6401 2.6401 2.6423 2.6423 3.1985 3.1985 3.2402 3.2402 3.3213 3.3213 3.3585 3.3585 8.4770 8.4770 8.4797 8.4797 8.8285 8.8285 8.8374 8.8374 k = 0.4444 0.5000-0.0000 ( 16866 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0557 -22.0557 -22.0557 -22.0557 -6.9377 -6.9377 -6.9290 -6.9290 -6.2389 -6.2389 -6.1369 -6.1369 -6.1027 -6.1027 -6.0016 -6.0016 -5.8780 -5.8780 -5.8718 -5.8718 2.6410 2.6410 2.6426 2.6426 3.2035 3.2035 3.2410 3.2410 3.3157 3.3157 3.3494 3.3494 8.5001 8.5001 8.5033 8.5033 8.7950 8.7950 8.8032 8.8032 k = 0.4583 0.5000-0.0000 ( 16846 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0556 -22.0556 -22.0556 -22.0556 -6.9351 -6.9351 -6.9285 -6.9285 -6.2214 -6.2214 -6.1268 -6.1268 -6.1083 -6.1083 -6.0125 -6.0125 -5.8883 -5.8883 -5.8817 -5.8817 2.6416 2.6416 2.6427 2.6427 3.2092 3.2092 3.2401 3.2401 3.3129 3.3129 3.3408 3.3408 8.5231 8.5231 8.5266 8.5266 8.7641 8.7641 8.7714 8.7714 k = 0.4722 0.5000-0.0000 ( 16838 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9329 -6.9329 -6.9285 -6.9285 -6.2037 -6.2037 -6.1369 -6.1369 -6.0945 -6.0945 -6.0259 -6.0259 -5.8949 -5.8949 -5.8895 -5.8895 2.6420 2.6420 2.6427 2.6427 3.2152 3.2152 3.2373 3.2373 3.3128 3.3128 3.3329 3.3329 8.5446 8.5446 8.5480 8.5480 8.7375 8.7375 8.7433 8.7433 k = 0.4861 0.5000-0.0000 ( 16846 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9311 -6.9311 -6.9289 -6.9289 -6.1861 -6.1861 -6.1522 -6.1522 -6.0766 -6.0766 -6.0415 -6.0415 -5.8980 -5.8980 -5.8949 -5.8949 2.6423 2.6423 2.6426 2.6426 3.2214 3.2214 3.2330 3.2330 3.3153 3.3153 3.3258 3.3258 8.5617 8.5617 8.5640 8.5640 8.7185 8.7185 8.7221 8.7221 k = 0.5000 0.5000-0.0000 ( 16832 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9298 -6.9298 -6.9298 -6.9298 -6.1689 -6.1689 -6.1689 -6.1689 -6.0586 -6.0586 -6.0586 -6.0586 -5.8979 -5.8979 -5.8979 -5.8979 2.6425 2.6425 2.6425 2.6425 3.2275 3.2275 3.2275 3.2275 3.3198 3.3198 3.3198 3.3198 8.5694 8.5694 8.5694 8.5694 8.7126 8.7126 8.7126 8.7126 k = 0.5000 0.5000-0.0000 ( 16832 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9298 -6.9298 -6.9298 -6.9298 -6.1689 -6.1689 -6.1689 -6.1689 -6.0586 -6.0586 -6.0586 -6.0586 -5.8979 -5.8979 -5.8979 -5.8979 2.6425 2.6425 2.6425 2.6425 3.2275 3.2275 3.2275 3.2275 3.3198 3.3198 3.3198 3.3198 8.5694 8.5694 8.5694 8.5694 8.7126 8.7126 8.7126 8.7126 k = 0.4902 0.4902-0.0000 ( 16836 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9311 -6.9311 -6.9289 -6.9289 -6.1861 -6.1861 -6.1523 -6.1523 -6.0766 -6.0766 -6.0414 -6.0414 -5.8984 -5.8984 -5.8945 -5.8945 2.6421 2.6421 2.6429 2.6429 3.2212 3.2212 3.2332 3.2332 3.3153 3.3153 3.3259 3.3259 8.5535 8.5535 8.5731 8.5731 8.7122 8.7122 8.7274 8.7274 k = 0.4804 0.4804-0.0000 ( 16842 PWs) bands (ev): -40.3375 -40.3375 -40.3374 -40.3374 -22.0557 -22.0557 -22.0554 -22.0554 -6.9328 -6.9328 -6.9285 -6.9285 -6.2037 -6.2037 -6.1368 -6.1368 -6.0950 -6.0950 -6.0252 -6.0252 -5.8979 -5.8979 -5.8869 -5.8869 2.6409 2.6409 2.6439 2.6439 3.2135 3.2135 3.2392 3.2392 3.3124 3.3124 3.3332 3.3332 8.5174 8.5174 8.5839 8.5839 8.7119 8.7119 8.7602 8.7602 k = 0.4706 0.4706-0.0000 ( 16838 PWs) bands (ev): -40.3375 -40.3375 -40.3374 -40.3374 -22.0560 -22.0560 -22.0553 -22.0553 -6.9349 -6.9349 -6.9286 -6.9286 -6.2214 -6.2214 -6.1232 -6.1232 -6.1131 -6.1131 -6.0097 -6.0097 -5.8969 -5.8969 -5.8748 -5.8748 2.6391 2.6391 2.6455 2.6455 3.2037 3.2037 3.2460 3.2460 3.3113 3.3113 3.3417 3.3417 8.4731 8.4731 8.6016 8.6016 8.7114 8.7114 8.7990 8.7990 k = 0.4608 0.4608-0.0000 ( 16858 PWs) bands (ev): -40.3375 -40.3375 -40.3374 -40.3374 -22.0564 -22.0564 -22.0551 -22.0551 -6.9372 -6.9372 -6.9292 -6.9292 -6.2391 -6.2391 -6.1317 -6.1317 -6.1108 -6.1108 -5.9941 -5.9941 -5.8953 -5.8953 -5.8592 -5.8592 2.6368 2.6368 2.6479 2.6479 3.1914 3.1914 3.2539 3.2539 3.3121 3.3121 3.3513 3.3513 8.4257 8.4257 8.6260 8.6260 8.7108 8.7108 8.8391 8.8391 k = 0.4510 0.4510-0.0000 ( 16871 PWs) bands (ev): -40.3376 -40.3376 -40.3374 -40.3374 -22.0569 -22.0569 -22.0549 -22.0549 -6.9398 -6.9398 -6.9303 -6.9303 -6.2567 -6.2567 -6.1487 -6.1487 -6.1018 -6.1018 -5.9779 -5.9779 -5.8933 -5.8933 -5.8407 -5.8407 2.6342 2.6342 2.6509 2.6509 3.1767 3.1767 3.2630 3.2630 3.3146 3.3146 3.3621 3.3621 8.3772 8.3772 8.6565 8.6565 8.7102 8.7102 8.8788 8.8788 k = 0.4412 0.4412-0.0000 ( 16875 PWs) bands (ev): -40.3376 -40.3376 -40.3373 -40.3373 -22.0575 -22.0575 -22.0547 -22.0547 -6.9425 -6.9425 -6.9320 -6.9320 -6.2742 -6.2742 -6.1646 -6.1646 -6.0953 -6.0953 -5.9604 -5.9604 -5.8908 -5.8908 -5.8202 -5.8202 2.6315 2.6315 2.6546 2.6546 3.1598 3.1598 3.2730 3.2730 3.3185 3.3185 3.3743 3.3743 8.3286 8.3286 8.6905 8.6905 8.7118 8.7118 8.9174 8.9174 k = 0.4314 0.4314-0.0000 ( 16893 PWs) bands (ev): -40.3377 -40.3377 -40.3373 -40.3373 -22.0582 -22.0582 -22.0544 -22.0544 -6.9454 -6.9454 -6.9342 -6.9342 -6.2915 -6.2915 -6.1791 -6.1791 -6.0913 -6.0913 -5.9418 -5.9418 -5.8877 -5.8877 -5.7985 -5.7985 2.6289 2.6289 2.6590 2.6590 3.1407 3.1407 3.2837 3.2837 3.3239 3.3239 3.3878 3.3878 8.2808 8.2808 8.7038 8.7038 8.7392 8.7392 8.9547 8.9547 k = 0.4216 0.4216-0.0000 ( 16891 PWs) bands (ev): -40.3378 -40.3378 -40.3372 -40.3372 -22.0590 -22.0590 -22.0541 -22.0541 -6.9482 -6.9482 -6.9369 -6.9369 -6.3085 -6.3085 -6.1922 -6.1922 -6.0895 -6.0895 -5.9223 -5.9223 -5.8837 -5.8837 -5.7761 -5.7761 2.6267 2.6267 2.6640 2.6640 3.1199 3.1199 3.2948 3.2948 3.3304 3.3304 3.4027 3.4027 8.2342 8.2342 8.7032 8.7032 8.7847 8.7847 8.9905 8.9905 k = 0.4118 0.4118-0.0000 ( 16875 PWs) bands (ev): -40.3379 -40.3379 -40.3371 -40.3371 -22.0599 -22.0599 -22.0537 -22.0537 -6.9510 -6.9510 -6.9402 -6.9402 -6.3251 -6.3251 -6.2038 -6.2038 -6.0893 -6.0893 -5.9032 -5.9032 -5.8780 -5.8780 -5.7535 -5.7535 2.6251 2.6251 2.6696 2.6696 3.0976 3.0976 3.3060 3.3060 3.3381 3.3381 3.4190 3.4190 8.1895 8.1895 8.7014 8.7014 8.8350 8.8350 9.0249 9.0249 k = 0.4020 0.4020-0.0000 ( 16877 PWs) bands (ev): -40.3380 -40.3380 -40.3370 -40.3370 -22.0609 -22.0609 -22.0533 -22.0533 -6.9536 -6.9536 -6.9440 -6.9440 -6.3413 -6.3413 -6.2139 -6.2139 -6.0905 -6.0905 -5.8880 -5.8880 -5.8674 -5.8674 -5.7310 -5.7310 2.6243 2.6243 2.6759 2.6759 3.0743 3.0743 3.3169 3.3169 3.3467 3.3467 3.4368 3.4368 8.1472 8.1472 8.6991 8.6991 8.8884 8.8884 9.0578 9.0578 k = 0.3922 0.3922-0.0000 ( 16893 PWs) bands (ev): -40.3381 -40.3381 -40.3369 -40.3369 -22.0620 -22.0620 -22.0529 -22.0529 -6.9560 -6.9560 -6.9483 -6.9483 -6.3570 -6.3570 -6.2226 -6.2226 -6.0927 -6.0927 -5.8794 -5.8794 -5.8495 -5.8495 -5.7088 -5.7088 2.6245 2.6245 2.6828 2.6828 3.0501 3.0501 3.3273 3.3273 3.3562 3.3562 3.4561 3.4561 8.1077 8.1077 8.6963 8.6963 8.9437 8.9437 9.0895 9.0895 k = 0.3824 0.3824-0.0000 ( 16897 PWs) bands (ev): -40.3382 -40.3382 -40.3368 -40.3368 -22.0631 -22.0631 -22.0524 -22.0524 -6.9581 -6.9581 -6.9530 -6.9530 -6.3721 -6.3721 -6.2299 -6.2299 -6.0956 -6.0956 -5.8735 -5.8735 -5.8285 -5.8285 -5.6872 -5.6872 2.6258 2.6258 2.6904 2.6904 3.0255 3.0255 3.3368 3.3368 3.3667 3.3667 3.4768 3.4768 8.0713 8.0713 8.6932 8.6932 9.0000 9.0000 9.1200 9.1200 k = 0.3725 0.3725-0.0000 ( 16905 PWs) bands (ev): -40.3383 -40.3383 -40.3367 -40.3367 -22.0644 -22.0644 -22.0519 -22.0519 -6.9600 -6.9600 -6.9579 -6.9579 -6.3865 -6.3865 -6.2360 -6.2360 -6.0991 -6.0991 -5.8682 -5.8682 -5.8068 -5.8068 -5.6663 -5.6663 2.6286 2.6286 2.6986 2.6986 3.0008 3.0008 3.3450 3.3450 3.3781 3.3781 3.4989 3.4989 8.0385 8.0385 8.6895 8.6895 9.0559 9.0559 9.1496 9.1496 k = 0.3627 0.3627-0.0000 ( 16905 PWs) bands (ev): -40.3384 -40.3384 -40.3366 -40.3366 -22.0657 -22.0657 -22.0514 -22.0514 -6.9639 -6.9639 -6.9607 -6.9607 -6.4001 -6.4001 -6.2409 -6.2409 -6.1029 -6.1029 -5.8629 -5.8629 -5.7851 -5.7851 -5.6462 -5.6462 2.6327 2.6327 2.7074 2.7074 2.9762 2.9762 3.3517 3.3517 3.3905 3.3905 3.5222 3.5222 8.0093 8.0093 8.6853 8.6853 9.1103 9.1103 9.1784 9.1784 k = 0.3529 0.3529-0.0000 ( 16905 PWs) bands (ev): -40.3385 -40.3385 -40.3365 -40.3365 -22.0671 -22.0671 -22.0509 -22.0509 -6.9694 -6.9694 -6.9615 -6.9615 -6.4131 -6.4131 -6.2448 -6.2448 -6.1068 -6.1068 -5.8576 -5.8576 -5.7639 -5.7639 -5.6272 -5.6272 2.6385 2.6385 2.7167 2.7167 2.9522 2.9522 3.3568 3.3568 3.4037 3.4037 3.5467 3.5467 7.9840 7.9840 8.6804 8.6804 9.1620 9.1620 9.2067 9.2067 k = 0.3431 0.3431-0.0000 ( 16909 PWs) bands (ev): -40.3386 -40.3386 -40.3364 -40.3364 -22.0686 -22.0686 -22.0503 -22.0503 -6.9752 -6.9752 -6.9617 -6.9617 -6.4254 -6.4254 -6.2477 -6.2477 -6.1108 -6.1108 -5.8523 -5.8523 -5.7434 -5.7434 -5.6091 -5.6091 2.6460 2.6460 2.7266 2.7266 2.9289 2.9289 3.3601 3.3601 3.4179 3.4179 3.5722 3.5722 7.9627 7.9627 8.6748 8.6748 9.2097 9.2097 9.2348 9.2348 k = 0.3333 0.3333-0.0000 ( 16915 PWs) bands (ev): -40.3388 -40.3388 -40.3363 -40.3363 -22.0701 -22.0701 -22.0497 -22.0497 -6.9812 -6.9812 -6.9611 -6.9611 -6.4370 -6.4370 -6.2498 -6.2498 -6.1147 -6.1147 -5.8468 -5.8468 -5.7238 -5.7238 -5.5922 -5.5922 2.6552 2.6552 2.7371 2.7371 2.9067 2.9067 3.3615 3.3615 3.4329 3.4329 3.5985 3.5985 7.9452 7.9452 8.6683 8.6683 9.2522 9.2522 9.2631 9.2631 k = 0.3235 0.3235-0.0000 ( 16929 PWs) bands (ev): -40.3389 -40.3389 -40.3361 -40.3361 -22.0717 -22.0717 -22.0491 -22.0491 -6.9871 -6.9871 -6.9598 -6.9598 -6.4480 -6.4480 -6.2511 -6.2511 -6.1184 -6.1184 -5.8413 -5.8413 -5.7054 -5.7054 -5.5763 -5.5763 2.6662 2.6662 2.7481 2.7481 2.8858 2.8858 3.3611 3.3611 3.4487 3.4487 3.6256 3.6256 7.9315 7.9315 8.6607 8.6607 9.2876 9.2876 9.2931 9.2931 k = 0.3137 0.3137-0.0000 ( 16921 PWs) bands (ev): -40.3391 -40.3391 -40.3360 -40.3360 -22.0734 -22.0734 -22.0484 -22.0484 -6.9930 -6.9930 -6.9578 -6.9578 -6.4584 -6.4584 -6.2518 -6.2518 -6.1217 -6.1217 -5.8359 -5.8359 -5.6883 -5.6883 -5.5616 -5.5616 2.6790 2.6790 2.7595 2.7595 2.8666 2.8666 3.3588 3.3588 3.4653 3.4653 3.6532 3.6532 7.9211 7.9211 8.6519 8.6519 9.3173 9.3173 9.3229 9.3229 k = 0.3039 0.3039-0.0000 ( 16919 PWs) bands (ev): -40.3392 -40.3392 -40.3358 -40.3358 -22.0751 -22.0751 -22.0478 -22.0478 -6.9986 -6.9986 -6.9550 -6.9550 -6.4682 -6.4682 -6.2519 -6.2519 -6.1246 -6.1246 -5.8305 -5.8305 -5.6727 -5.6727 -5.5480 -5.5480 2.6935 2.6935 2.7712 2.7712 2.8493 2.8493 3.3549 3.3549 3.4827 3.4827 3.6811 3.6811 7.9138 7.9138 8.6416 8.6416 9.3445 9.3445 9.3496 9.3496 k = 0.2941 0.2941-0.0000 ( 16917 PWs) bands (ev): -40.3394 -40.3394 -40.3357 -40.3357 -22.0768 -22.0768 -22.0471 -22.0471 -7.0041 -7.0041 -6.9513 -6.9513 -6.4776 -6.4776 -6.2514 -6.2514 -6.1271 -6.1271 -5.8253 -5.8253 -5.6586 -5.6586 -5.5355 -5.5355 2.7096 2.7096 2.7828 2.7828 2.8344 2.8344 3.3494 3.3494 3.5008 3.5008 3.7092 3.7092 7.9090 7.9090 8.6295 8.6295 9.3637 9.3637 9.3792 9.3792 k = 0.2843 0.2843-0.0000 ( 16925 PWs) bands (ev): -40.3395 -40.3395 -40.3356 -40.3356 -22.0786 -22.0786 -22.0464 -22.0464 -7.0091 -7.0091 -6.9469 -6.9469 -6.4866 -6.4866 -6.2506 -6.2506 -6.1289 -6.1289 -5.8203 -5.8203 -5.6463 -5.6463 -5.5241 -5.5241 2.7272 2.7272 2.7931 2.7931 2.8234 2.8234 3.3428 3.3428 3.5196 3.5196 3.7371 3.7371 7.9059 7.9059 8.6155 8.6155 9.3759 9.3759 9.4114 9.4114 k = 0.2745 0.2745-0.0000 ( 16939 PWs) bands (ev): -40.3397 -40.3397 -40.3354 -40.3354 -22.0803 -22.0803 -22.0457 -22.0457 -7.0138 -7.0138 -6.9416 -6.9416 -6.4951 -6.4951 -6.2493 -6.2493 -6.1301 -6.1301 -5.8156 -5.8156 -5.6358 -5.6358 -5.5137 -5.5137 2.7459 2.7459 2.7970 2.7970 2.8216 2.8216 3.3353 3.3353 3.5391 3.5391 3.7646 3.7646 7.9039 7.9039 8.5992 8.5992 9.3825 9.3825 9.4457 9.4457 k = 0.2647 0.2647-0.0000 ( 16941 PWs) bands (ev): -40.3399 -40.3399 -40.3353 -40.3353 -22.0821 -22.0821 -22.0450 -22.0450 -7.0180 -7.0180 -6.9355 -6.9355 -6.5033 -6.5033 -6.2478 -6.2478 -6.1306 -6.1306 -5.8115 -5.8115 -5.6270 -5.6270 -5.5044 -5.5044 2.7649 2.7649 2.7934 2.7934 2.8307 2.8307 3.3275 3.3275 3.5592 3.5592 3.7914 3.7914 7.9021 7.9021 8.5804 8.5804 9.3841 9.3841 9.4827 9.4827 k = 0.2549 0.2549-0.0000 ( 16945 PWs) bands (ev): -40.3400 -40.3400 -40.3351 -40.3351 -22.0839 -22.0839 -22.0443 -22.0443 -7.0216 -7.0216 -6.9287 -6.9287 -6.5111 -6.5111 -6.2460 -6.2460 -6.1303 -6.1303 -5.8079 -5.8079 -5.6201 -5.6201 -5.4961 -5.4961 2.7786 2.7786 2.7944 2.7944 2.8436 2.8436 3.3200 3.3200 3.5799 3.5799 3.8174 3.8174 7.8994 7.8994 8.5588 8.5588 9.3804 9.3804 9.5213 9.5213 k = 0.2451 0.2451-0.0000 ( 16941 PWs) bands (ev): -40.3402 -40.3402 -40.3350 -40.3350 -22.0857 -22.0857 -22.0436 -22.0436 -7.0246 -7.0246 -6.9211 -6.9211 -6.5185 -6.5185 -6.2439 -6.2439 -6.1294 -6.1294 -5.8050 -5.8050 -5.6148 -5.6148 -5.4887 -5.4887 2.7787 2.7787 2.8106 2.8106 2.8577 2.8577 3.3135 3.3135 3.6012 3.6012 3.8421 3.8421 7.8950 7.8950 8.5342 8.5342 9.3677 9.3677 9.4649 9.4649 k = 0.2353 0.2353-0.0000 ( 16933 PWs) bands (ev): -40.3403 -40.3403 -40.3348 -40.3348 -22.0875 -22.0875 -22.0429 -22.0429 -7.0270 -7.0270 -6.9128 -6.9128 -6.5255 -6.5255 -6.2417 -6.2417 -6.1277 -6.1277 -5.8030 -5.8030 -5.6111 -5.6111 -5.4824 -5.4824 2.7773 2.7773 2.8297 2.8297 2.8725 2.8725 3.3090 3.3090 3.6229 3.6229 3.8653 3.8653 7.8879 7.8879 8.5064 8.5064 9.3283 9.3283 9.4125 9.4125 k = 0.2255 0.2255-0.0000 ( 16917 PWs) bands (ev): -40.3405 -40.3405 -40.3347 -40.3347 -22.0893 -22.0893 -22.0422 -22.0422 -7.0288 -7.0288 -6.9039 -6.9039 -6.5321 -6.5321 -6.2393 -6.2393 -6.1253 -6.1253 -5.8021 -5.8021 -5.6089 -5.6089 -5.4772 -5.4772 2.7776 2.7776 2.8476 2.8476 2.8877 2.8877 3.3075 3.3075 3.6450 3.6450 3.8867 3.8867 7.8773 7.8773 8.4753 8.4753 9.2603 9.2603 9.3939 9.3939 k = 0.2157 0.2157-0.0000 ( 16921 PWs) bands (ev): -40.3406 -40.3406 -40.3345 -40.3345 -22.0911 -22.0911 -22.0415 -22.0415 -7.0298 -7.0298 -6.8945 -6.8945 -6.5381 -6.5381 -6.2367 -6.2367 -6.1222 -6.1222 -5.8024 -5.8024 -5.6079 -5.6079 -5.4729 -5.4729 2.7801 2.7801 2.8631 2.8631 2.9032 2.9032 3.3103 3.3103 3.6674 3.6674 3.9061 3.9061 7.8625 7.8625 8.4409 8.4409 9.1880 9.1880 9.3860 9.3860 k = 0.2059 0.2059-0.0000 ( 16935 PWs) bands (ev): -40.3408 -40.3408 -40.3344 -40.3344 -22.0929 -22.0929 -22.0409 -22.0409 -7.0302 -7.0302 -6.8847 -6.8847 -6.5435 -6.5435 -6.2341 -6.2341 -6.1184 -6.1184 -5.8041 -5.8041 -5.6080 -5.6080 -5.4696 -5.4696 2.7848 2.7848 2.8751 2.8751 2.9189 2.9189 3.3183 3.3183 3.6901 3.6901 3.9231 3.9231 7.8428 7.8428 8.4034 8.4034 9.1190 9.1190 9.3821 9.3821 k = 0.1961 0.1961-0.0000 ( 16939 PWs) bands (ev): -40.3410 -40.3410 -40.3342 -40.3342 -22.0946 -22.0946 -22.0402 -22.0402 -7.0299 -7.0299 -6.8746 -6.8746 -6.5481 -6.5481 -6.2313 -6.2313 -6.1140 -6.1140 -5.8073 -5.8073 -5.6089 -5.6089 -5.4672 -5.4672 2.7917 2.7917 2.8830 2.8830 2.9346 2.9346 3.3324 3.3324 3.7130 3.7130 3.9376 3.9376 7.8179 7.8179 8.3630 8.3630 9.0550 9.0550 9.3813 9.3813 k = 0.1863 0.1863-0.0000 ( 16943 PWs) bands (ev): -40.3411 -40.3411 -40.3341 -40.3341 -22.0963 -22.0963 -22.0396 -22.0396 -7.0290 -7.0290 -6.8643 -6.8643 -6.5519 -6.5519 -6.2285 -6.2285 -6.1090 -6.1090 -5.8122 -5.8122 -5.6107 -5.6107 -5.4657 -5.4657 2.8008 2.8008 2.8864 2.8864 2.9504 2.9504 3.3530 3.3530 3.7359 3.7359 3.9493 3.9493 7.7877 7.7877 8.3200 8.3200 8.9963 8.9963 9.3839 9.3839 k = 0.1765 0.1765-0.0000 ( 16939 PWs) bands (ev): -40.3413 -40.3413 -40.3339 -40.3339 -22.0979 -22.0979 -22.0389 -22.0389 -7.0274 -7.0274 -6.8542 -6.8542 -6.5546 -6.5546 -6.2257 -6.2257 -6.1034 -6.1034 -5.8187 -5.8187 -5.6132 -5.6132 -5.4649 -5.4649 2.8120 2.8120 2.8855 2.8855 2.9661 2.9661 3.3797 3.3797 3.7588 3.7588 3.9581 3.9581 7.7522 7.7522 8.2749 8.2749 8.9431 8.9431 9.3902 9.3902 k = 0.1667 0.1667-0.0000 ( 16943 PWs) bands (ev): -40.3414 -40.3414 -40.3338 -40.3338 -22.0995 -22.0995 -22.0383 -22.0383 -7.0253 -7.0253 -6.8443 -6.8443 -6.5561 -6.5561 -6.2228 -6.2228 -6.0973 -6.0973 -5.8270 -5.8270 -5.6163 -5.6163 -5.4647 -5.4647 2.8251 2.8251 2.8811 2.8811 2.9817 2.9817 3.4122 3.4122 3.7814 3.7814 3.9639 3.9639 7.7117 7.7117 8.2283 8.2283 8.8953 8.8953 9.4008 9.4008 k = 0.1569 0.1569-0.0000 ( 16943 PWs) bands (ev): -40.3415 -40.3415 -40.3337 -40.3337 -22.1011 -22.1011 -22.0377 -22.0377 -7.0226 -7.0226 -6.8349 -6.8349 -6.5563 -6.5563 -6.2200 -6.2200 -6.0907 -6.0907 -5.8369 -5.8369 -5.6201 -5.6201 -5.4650 -5.4650 2.8395 2.8395 2.8743 2.8743 2.9972 2.9972 3.4495 3.4495 3.8038 3.8038 3.9667 3.9667 7.6665 7.6665 8.1806 8.1806 8.8525 8.8525 9.4161 9.4161 k = 0.1471 0.1471-0.0000 ( 16953 PWs) bands (ev): -40.3417 -40.3417 -40.3336 -40.3336 -22.1026 -22.1026 -22.0372 -22.0372 -7.0194 -7.0194 -6.8261 -6.8261 -6.5549 -6.5549 -6.2173 -6.2173 -6.0836 -6.0836 -5.8484 -5.8484 -5.6247 -5.6247 -5.4656 -5.4656 2.8516 2.8516 2.8694 2.8694 3.0124 3.0124 3.4906 3.4906 3.8256 3.8256 3.9665 3.9665 7.6172 7.6172 8.1325 8.1325 8.8147 8.8147 9.4365 9.4365 k = 0.1373 0.1373-0.0000 ( 16941 PWs) bands (ev): -40.3418 -40.3418 -40.3334 -40.3334 -22.1040 -22.1040 -22.0367 -22.0367 -7.0158 -7.0158 -6.8181 -6.8181 -6.5519 -6.5519 -6.2146 -6.2146 -6.0760 -6.0760 -5.8612 -5.8612 -5.6301 -5.6301 -5.4663 -5.4663 2.8477 2.8477 2.8805 2.8805 3.0272 3.0272 3.5347 3.5347 3.8466 3.8466 3.9636 3.9636 7.5645 7.5645 8.0845 8.0845 8.7813 8.7813 9.4596 9.4596 k = 0.1275 0.1275-0.0000 ( 16939 PWs) bands (ev): -40.3419 -40.3419 -40.3333 -40.3333 -22.1053 -22.1053 -22.0361 -22.0361 -7.0118 -7.0118 -6.8112 -6.8112 -6.5472 -6.5472 -6.2121 -6.2121 -6.0681 -6.0681 -5.8752 -5.8752 -5.6364 -5.6364 -5.4671 -5.4671 2.8365 2.8365 2.8994 2.8994 3.0417 3.0417 3.5809 3.5809 3.8664 3.8664 3.9585 3.9585 7.5092 7.5092 8.0373 8.0373 8.7521 8.7521 9.3913 9.3913 k = 0.1176 0.1176-0.0000 ( 16941 PWs) bands (ev): -40.3420 -40.3420 -40.3332 -40.3332 -22.1066 -22.1066 -22.0357 -22.0357 -7.0076 -7.0076 -6.8053 -6.8053 -6.5409 -6.5409 -6.2098 -6.2098 -6.0597 -6.0597 -5.8901 -5.8901 -5.6436 -5.6436 -5.4677 -5.4677 2.8240 2.8240 2.9204 2.9204 3.0557 3.0557 3.6281 3.6281 3.8839 3.8839 3.9522 3.9522 7.4521 7.4521 7.9914 7.9914 8.7267 8.7267 9.3225 9.3225 k = 0.1078 0.1078-0.0000 ( 16941 PWs) bands (ev): -40.3421 -40.3421 -40.3331 -40.3331 -22.1077 -22.1077 -22.0352 -22.0352 -7.0032 -7.0032 -6.8004 -6.8004 -6.5329 -6.5329 -6.2078 -6.2078 -6.0511 -6.0511 -5.9057 -5.9057 -5.6517 -5.6517 -5.4681 -5.4681 2.8112 2.8112 2.9425 2.9425 3.0692 3.0692 3.6756 3.6756 3.8966 3.8966 3.9477 3.9477 7.3941 7.3941 7.9473 7.9473 8.7047 8.7047 9.2581 9.2581 k = 0.0980 0.0980-0.0000 ( 16923 PWs) bands (ev): -40.3422 -40.3422 -40.3330 -40.3330 -22.1088 -22.1088 -22.0348 -22.0348 -6.9988 -6.9988 -6.7966 -6.7966 -6.5236 -6.5236 -6.2060 -6.2060 -6.0422 -6.0422 -5.9217 -5.9217 -5.6607 -5.6607 -5.4683 -5.4683 2.7987 2.7987 2.9654 2.9654 3.0822 3.0822 3.7223 3.7223 3.8997 3.8997 3.9502 3.9502 7.3363 7.3363 7.9055 7.9055 8.6858 8.6858 9.1983 9.1983 k = 0.0882 0.0882-0.0000 ( 16925 PWs) bands (ev): -40.3423 -40.3423 -40.3329 -40.3329 -22.1098 -22.1098 -22.0344 -22.0344 -6.9943 -6.9943 -6.7937 -6.7937 -6.5131 -6.5131 -6.2045 -6.2045 -6.0331 -6.0331 -5.9377 -5.9377 -5.6704 -5.6704 -5.4683 -5.4683 2.7868 2.7868 2.9885 2.9885 3.0945 3.0945 3.7664 3.7664 3.8935 3.8935 3.9605 3.9605 7.2795 7.2795 7.8663 7.8663 8.6697 8.6697 9.1434 9.1434 k = 0.0784 0.0784-0.0000 ( 16929 PWs) bands (ev): -40.3424 -40.3424 -40.3329 -40.3329 -22.1107 -22.1107 -22.0341 -22.0341 -6.9900 -6.9900 -6.7915 -6.7915 -6.5018 -6.5018 -6.2034 -6.2034 -6.0239 -6.0239 -5.9536 -5.9536 -5.6807 -5.6807 -5.4681 -5.4681 2.7756 2.7756 3.0113 3.0113 3.1062 3.1062 3.8047 3.8047 3.8856 3.8856 3.9739 3.9739 7.2248 7.2248 7.8303 7.8303 8.6560 8.6560 9.0937 9.0937 k = 0.0686 0.0686-0.0000 ( 16917 PWs) bands (ev): -40.3425 -40.3425 -40.3328 -40.3328 -22.1116 -22.1116 -22.0338 -22.0338 -6.9860 -6.9860 -6.7900 -6.7900 -6.4901 -6.4901 -6.2027 -6.2027 -6.0148 -6.0148 -5.9687 -5.9687 -5.6911 -5.6911 -5.4677 -5.4677 2.7654 2.7654 3.0333 3.0333 3.1172 3.1172 3.8264 3.8264 3.8889 3.8889 3.9879 3.9879 7.1732 7.1732 7.7977 7.7977 8.6444 8.6444 9.0493 9.0493 k = 0.0588 0.0588-0.0000 ( 16913 PWs) bands (ev): -40.3425 -40.3425 -40.3327 -40.3327 -22.1123 -22.1123 -22.0335 -22.0335 -6.9822 -6.9822 -6.7890 -6.7890 -6.4784 -6.4784 -6.2024 -6.2024 -6.0060 -6.0060 -5.9829 -5.9829 -5.7016 -5.7016 -5.4673 -5.4673 2.7563 2.7563 3.0538 3.0538 3.1278 3.1278 3.8240 3.8240 3.9115 3.9115 4.0014 4.0014 7.1258 7.1258 7.7689 7.7689 8.6349 8.6349 9.0104 9.0104 k = 0.0490 0.0490-0.0000 ( 16913 PWs) bands (ev): -40.3426 -40.3426 -40.3327 -40.3327 -22.1129 -22.1129 -22.0333 -22.0333 -6.9789 -6.9789 -6.7884 -6.7884 -6.4672 -6.4672 -6.2025 -6.2025 -5.9992 -5.9992 -5.9942 -5.9942 -5.7116 -5.7116 -5.4668 -5.4668 2.7485 2.7485 3.0720 3.0720 3.1379 3.1379 3.8118 3.8118 3.9392 3.9392 4.0144 4.0144 7.0836 7.0836 7.7440 7.7440 8.6271 8.6271 8.9771 8.9771 k = 0.0392 0.0392-0.0000 ( 16909 PWs) bands (ev): -40.3426 -40.3426 -40.3327 -40.3327 -22.1134 -22.1134 -22.0331 -22.0331 -6.9760 -6.9760 -6.7880 -6.7880 -6.4569 -6.4569 -6.2029 -6.2029 -6.0076 -6.0076 -5.9893 -5.9893 -5.7207 -5.7207 -5.4663 -5.4663 2.7419 2.7419 3.0871 3.0871 3.1475 3.1475 3.7981 3.7981 3.9636 3.9636 4.0269 4.0269 7.0476 7.0476 7.7234 7.7234 8.6209 8.6209 8.9497 8.9497 k = 0.0294 0.0294-0.0000 ( 16921 PWs) bands (ev): -40.3426 -40.3426 -40.3326 -40.3326 -22.1137 -22.1137 -22.0330 -22.0330 -6.9737 -6.9737 -6.7878 -6.7878 -6.4482 -6.4482 -6.2035 -6.2035 -6.0166 -6.0166 -5.9829 -5.9829 -5.7286 -5.7286 -5.4658 -5.4658 2.7367 2.7367 3.0988 3.0988 3.1562 3.1562 3.7857 3.7857 3.9821 3.9821 4.0385 4.0385 7.0185 7.0185 7.7072 7.7072 8.6163 8.6163 8.9283 8.9283 k = 0.0196 0.0196-0.0000 ( 16917 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1140 -22.1140 -22.0329 -22.0329 -6.9720 -6.9720 -6.7877 -6.7877 -6.4415 -6.4415 -6.2042 -6.2042 -6.0233 -6.0233 -5.9779 -5.9779 -5.7346 -5.7346 -5.4655 -5.4655 2.7330 2.7330 3.1070 3.1070 3.1634 3.1634 3.7758 3.7758 3.9946 3.9946 4.0484 4.0484 6.9972 6.9972 7.6955 7.6955 8.6130 8.6130 8.9129 8.9129 k = 0.0098 0.0098-0.0000 ( 16925 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1142 -22.1142 -22.0328 -22.0328 -6.9710 -6.9710 -6.7876 -6.7876 -6.4372 -6.4372 -6.2047 -6.2047 -6.0274 -6.0274 -5.9747 -5.9747 -5.7384 -5.7384 -5.4652 -5.4652 2.7308 2.7308 3.1117 3.1117 3.1682 3.1682 3.7695 3.7695 4.0016 4.0016 4.0551 4.0551 6.9842 6.9842 7.6885 7.6885 8.6111 8.6111 8.9036 8.9036 k = 0.0000 0.0000 0.0000 ( 16933 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1142 -22.1142 -22.0328 -22.0328 -6.9707 -6.9707 -6.7876 -6.7876 -6.4358 -6.4358 -6.2048 -6.2048 -6.0288 -6.0288 -5.9736 -5.9736 -5.7397 -5.7397 -5.4652 -5.4652 2.7300 2.7300 3.1132 3.1132 3.1698 3.1698 3.7674 3.7674 4.0038 4.0038 4.0575 4.0575 6.9798 6.9798 7.6861 7.6861 8.6104 8.6104 8.9005 8.9005 k = 0.0000 0.0000 0.0000 ( 16933 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1142 -22.1142 -22.0328 -22.0328 -6.9707 -6.9707 -6.7876 -6.7876 -6.4358 -6.4358 -6.2048 -6.2048 -6.0288 -6.0288 -5.9736 -5.9736 -5.7397 -5.7397 -5.4652 -5.4652 2.7300 2.7300 3.1132 3.1132 3.1698 3.1698 3.7674 3.7674 4.0038 4.0038 4.0575 4.0575 6.9798 6.9798 7.6861 7.6861 8.6104 8.6104 8.9005 8.9005 k = 0.0000 0.0000 0.0139 ( 16921 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1142 -22.1142 -22.0328 -22.0328 -6.9708 -6.9708 -6.7887 -6.7887 -6.4349 -6.4349 -6.2044 -6.2044 -6.0288 -6.0288 -5.9740 -5.9740 -5.7398 -5.7398 -5.4646 -5.4646 2.7291 2.7291 3.1129 3.1129 3.1695 3.1695 3.7646 3.7646 4.0040 4.0040 4.0579 4.0579 6.9849 6.9849 7.6859 7.6859 8.6139 8.6139 8.9009 8.9009 k = 0.0000 0.0000 0.0277 ( 16897 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1142 -22.1142 -22.0328 -22.0328 -6.9711 -6.9711 -6.7918 -6.7918 -6.4323 -6.4323 -6.2030 -6.2030 -6.0287 -6.0287 -5.9752 -5.9752 -5.7399 -5.7399 -5.4631 -5.4631 2.7263 2.7263 3.1120 3.1120 3.1685 3.1685 3.7562 3.7562 4.0046 4.0046 4.0590 4.0590 7.0002 7.0002 7.6851 7.6851 8.6245 8.6245 8.9021 8.9021 k = 0.0000 0.0000 0.0416 ( 16889 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1142 -22.1142 -22.0328 -22.0328 -6.9716 -6.9716 -6.7969 -6.7969 -6.4281 -6.4281 -6.2007 -6.2007 -6.0285 -6.0285 -5.9770 -5.9770 -5.7400 -5.7400 -5.4605 -5.4605 2.7218 2.7218 3.1105 3.1105 3.1669 3.1669 3.7426 3.7426 4.0057 4.0057 4.0609 4.0609 7.0253 7.0253 7.6839 7.6839 8.6418 8.6418 8.9041 8.9041 k = 0.0000 0.0000 0.0554 ( 16865 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1142 -22.1142 -22.0328 -22.0328 -6.9723 -6.9723 -6.8035 -6.8035 -6.4228 -6.4228 -6.1976 -6.1976 -6.0283 -6.0283 -5.9794 -5.9794 -5.7402 -5.7402 -5.4571 -5.4571 2.7156 2.7156 3.1084 3.1084 3.1647 3.1647 3.7240 3.7240 4.0073 4.0073 4.0634 4.0634 7.0598 7.0598 7.6822 7.6822 8.6657 8.6657 8.9068 8.9068 k = 0.0000 0.0000 0.0693 ( 16889 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1142 -22.1142 -22.0328 -22.0328 -6.9733 -6.9733 -6.8114 -6.8114 -6.4165 -6.4165 -6.1935 -6.1935 -6.0281 -6.0281 -5.9824 -5.9824 -5.7405 -5.7405 -5.4528 -5.4528 2.7080 2.7080 3.1058 3.1058 3.1620 3.1620 3.7010 3.7010 4.0095 4.0095 4.0666 4.0666 7.1029 7.1029 7.6801 7.6801 8.6956 8.6956 8.9102 8.9102 k = 0.0000 0.0000 0.0832 ( 16937 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1142 -22.1142 -22.0328 -22.0328 -6.9744 -6.9744 -6.8202 -6.8202 -6.4097 -6.4097 -6.1887 -6.1887 -6.0278 -6.0278 -5.9858 -5.9858 -5.7408 -5.7408 -5.4478 -5.4478 2.6991 2.6991 3.1028 3.1028 3.1588 3.1588 3.6741 3.6741 4.0121 4.0121 4.0703 4.0703 7.1539 7.1539 7.6776 7.6776 8.7311 8.7311 8.9143 8.9143 k = 0.0000 0.0000 0.0970 ( 16924 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1142 -22.1142 -22.0329 -22.0329 -6.9757 -6.9757 -6.8297 -6.8297 -6.4028 -6.4028 -6.1830 -6.1830 -6.0274 -6.0274 -5.9895 -5.9895 -5.7412 -5.7412 -5.4423 -5.4423 2.6891 2.6891 3.0995 3.0995 3.1552 3.1552 3.6441 3.6441 4.0153 4.0153 4.0745 4.0745 7.2120 7.2120 7.6748 7.6748 8.7713 8.7713 8.9188 8.9188 k = 0.0000 0.0000 0.1109 ( 16916 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1141 -22.1141 -22.0329 -22.0329 -6.9773 -6.9773 -6.8394 -6.8394 -6.3958 -6.3958 -6.1767 -6.1767 -6.0271 -6.0271 -5.9933 -5.9933 -5.7416 -5.7416 -5.4364 -5.4364 2.6782 2.6782 3.0958 3.0958 3.1513 3.1513 3.6118 3.6118 4.0189 4.0189 4.0790 4.0790 7.2761 7.2761 7.6718 7.6718 8.8156 8.8156 8.9237 8.9237 k = 0.0000 0.0000 0.1247 ( 16916 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1141 -22.1141 -22.0329 -22.0329 -6.9790 -6.9790 -6.8492 -6.8492 -6.3892 -6.3892 -6.1700 -6.1700 -6.0267 -6.0267 -5.9971 -5.9971 -5.7420 -5.7420 -5.4302 -5.4302 2.6669 2.6669 3.0920 3.0920 3.1472 3.1472 3.5779 3.5779 4.0228 4.0228 4.0838 4.0838 7.3454 7.3454 7.6686 7.6686 8.8628 8.8628 8.9289 8.9289 k = 0.0000 0.0000 0.1386 ( 16912 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1141 -22.1141 -22.0329 -22.0329 -6.9810 -6.9810 -6.8588 -6.8588 -6.3830 -6.3830 -6.1629 -6.1629 -6.0263 -6.0263 -6.0007 -6.0007 -5.7424 -5.7424 -5.4239 -5.4239 2.6552 2.6552 3.0880 3.0880 3.1430 3.1430 3.5431 3.5431 4.0270 4.0270 4.0887 4.0887 7.4187 7.4187 7.6653 7.6653 8.9119 8.9119 8.9344 8.9344 k = 0.0000 0.0000 0.1524 ( 16968 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1141 -22.1141 -22.0329 -22.0329 -6.9831 -6.9831 -6.8679 -6.8679 -6.3774 -6.3774 -6.1558 -6.1558 -6.0259 -6.0259 -6.0040 -6.0040 -5.7429 -5.7429 -5.4176 -5.4176 2.6434 2.6434 3.0840 3.0840 3.1387 3.1387 3.5083 3.5083 4.0312 4.0312 4.0937 4.0937 7.4953 7.4953 7.6619 7.6619 8.9399 8.9399 8.9614 8.9614 k = 0.0000 0.0000 0.1663 ( 16960 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1140 -22.1140 -22.0330 -22.0330 -6.9853 -6.9853 -6.8764 -6.8764 -6.3723 -6.3723 -6.1488 -6.1488 -6.0254 -6.0254 -6.0068 -6.0068 -5.7433 -5.7433 -5.4114 -5.4114 2.6319 2.6319 3.0800 3.0800 3.1345 3.1345 3.4741 3.4741 4.0355 4.0355 4.0987 4.0987 7.5738 7.5738 7.6586 7.6586 8.9454 8.9454 9.0098 9.0098 k = 0.0000 0.0000 0.1802 ( 16960 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1140 -22.1140 -22.0330 -22.0330 -6.9877 -6.9877 -6.8843 -6.8843 -6.3678 -6.3678 -6.1422 -6.1422 -6.0250 -6.0250 -6.0092 -6.0092 -5.7438 -5.7438 -5.4055 -5.4055 2.6208 2.6208 3.0762 3.0762 3.1304 3.1304 3.4411 3.4411 4.0397 4.0397 4.1035 4.1035 7.6534 7.6534 7.6553 7.6553 8.9508 8.9508 9.0551 9.0551 k = 0.0000 0.0000 0.1940 ( 16952 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1140 -22.1140 -22.0330 -22.0330 -6.9901 -6.9901 -6.8913 -6.8913 -6.3639 -6.3639 -6.1362 -6.1362 -6.0246 -6.0246 -6.0108 -6.0108 -5.7442 -5.7442 -5.3999 -5.3999 2.6103 2.6103 3.0726 3.0726 3.1265 3.1265 3.4099 3.4099 4.0437 4.0437 4.1080 4.1080 7.6522 7.6522 7.7327 7.7327 8.9559 8.9559 9.0953 9.0953 k = 0.0000 0.0000 0.2079 ( 16944 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1140 -22.1140 -22.0330 -22.0330 -6.9925 -6.9925 -6.8975 -6.8975 -6.3606 -6.3606 -6.1310 -6.1310 -6.0242 -6.0242 -6.0119 -6.0119 -5.7446 -5.7446 -5.3947 -5.3947 2.6007 2.6007 3.0693 3.0693 3.1229 3.1229 3.3811 3.3811 4.0475 4.0475 4.1122 4.1122 7.6494 7.6494 7.8106 7.8106 8.9607 8.9607 9.1280 9.1280 k = 0.0000 0.0000 0.2217 ( 16948 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1140 -22.1140 -22.0331 -22.0331 -6.9948 -6.9948 -6.9029 -6.9029 -6.3578 -6.3578 -6.1266 -6.1266 -6.0239 -6.0239 -6.0123 -6.0123 -5.7449 -5.7449 -5.3901 -5.3901 2.5920 2.5920 3.0663 3.0663 3.1196 3.1196 3.3551 3.3551 4.0509 4.0509 4.1161 4.1161 7.6468 7.6468 7.8853 7.8853 8.9651 8.9651 9.1514 9.1514 k = 0.0000 0.0000 0.2356 ( 16948 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1139 -22.1139 -22.0331 -22.0331 -6.9970 -6.9970 -6.9073 -6.9073 -6.3554 -6.3554 -6.1231 -6.1231 -6.0236 -6.0236 -6.0123 -6.0123 -5.7453 -5.7453 -5.3861 -5.3861 2.5845 2.5845 3.0637 3.0637 3.1168 3.1168 3.3323 3.3323 4.0539 4.0539 4.1194 4.1194 7.6445 7.6445 7.9553 7.9553 8.9689 8.9689 9.1640 9.1640 k = 0.0000 0.0000 0.2495 ( 16956 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1139 -22.1139 -22.0331 -22.0331 -6.9989 -6.9989 -6.9109 -6.9109 -6.3536 -6.3536 -6.1205 -6.1205 -6.0233 -6.0233 -6.0119 -6.0119 -5.7455 -5.7455 -5.3827 -5.3827 2.5782 2.5782 3.0615 3.0615 3.1143 3.1143 3.3132 3.3132 4.0564 4.0564 4.1223 4.1223 7.6426 7.6426 8.0182 8.0182 8.9721 8.9721 9.1664 9.1664 k = 0.0000 0.0000 0.2633 ( 16944 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1139 -22.1139 -22.0331 -22.0331 -7.0005 -7.0005 -6.9136 -6.9136 -6.3522 -6.3522 -6.1186 -6.1186 -6.0231 -6.0231 -6.0113 -6.0113 -5.7458 -5.7458 -5.3801 -5.3801 2.5732 2.5732 3.0597 3.0597 3.1124 3.1124 3.2980 3.2980 4.0585 4.0585 4.1245 4.1245 7.6410 7.6410 8.0717 8.0717 8.9747 8.9747 9.1613 9.1613 k = 0.0000 0.0000 0.2772 ( 16952 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1139 -22.1139 -22.0331 -22.0331 -7.0017 -7.0017 -6.9155 -6.9155 -6.3512 -6.3512 -6.1173 -6.1173 -6.0230 -6.0230 -6.0107 -6.0107 -5.7459 -5.7459 -5.3781 -5.3781 2.5697 2.5697 3.0585 3.0585 3.1110 3.1110 3.2869 3.2869 4.0599 4.0599 4.1262 4.1262 7.6399 7.6399 8.1129 8.1129 8.9766 8.9766 9.1527 9.1527 k = 0.0000 0.0000 0.2910 ( 16960 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1139 -22.1139 -22.0331 -22.0331 -7.0025 -7.0025 -6.9167 -6.9167 -6.3506 -6.3506 -6.1166 -6.1166 -6.0229 -6.0229 -6.0103 -6.0103 -5.7460 -5.7460 -5.3770 -5.3770 2.5675 2.5675 3.0577 3.0577 3.1102 3.1102 3.2802 3.2802 4.0608 4.0608 4.1271 4.1271 7.6392 7.6392 8.1390 8.1390 8.9777 8.9777 9.1452 9.1452 k = 0.0000 0.0000 0.3049 ( 16980 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1139 -22.1139 -22.0331 -22.0331 -7.0027 -7.0027 -6.9171 -6.9171 -6.3504 -6.3504 -6.1164 -6.1164 -6.0229 -6.0229 -6.0102 -6.0102 -5.7461 -5.7461 -5.3766 -5.3766 2.5668 2.5668 3.0575 3.0575 3.1099 3.1099 3.2780 3.2780 4.0611 4.0611 4.1275 4.1275 7.6390 7.6390 8.1480 8.1480 8.9781 8.9781 9.1423 9.1423 k = 0.0000 0.0000 0.3049 ( 16980 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1139 -22.1139 -22.0331 -22.0331 -7.0027 -7.0027 -6.9171 -6.9171 -6.3504 -6.3504 -6.1164 -6.1164 -6.0229 -6.0229 -6.0102 -6.0102 -5.7461 -5.7461 -5.3766 -5.3766 2.5668 2.5668 3.0575 3.0575 3.1099 3.1099 3.2780 3.2780 4.0611 4.0611 4.1275 4.1275 7.6390 7.6390 8.1480 8.1480 8.9781 8.9781 9.1423 9.1423 k = 0.0000 0.0139 0.3049 ( 16978 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1138 -22.1138 -22.0331 -22.0331 -7.0041 -7.0041 -6.9160 -6.9160 -6.3517 -6.3517 -6.1157 -6.1157 -6.0224 -6.0224 -6.0115 -6.0115 -5.7442 -5.7442 -5.3767 -5.3767 2.5672 2.5672 3.0500 3.0500 3.1026 3.1026 3.2925 3.2925 4.0593 4.0593 4.1256 4.1256 7.6421 7.6421 8.1480 8.1480 8.9810 8.9810 9.1451 9.1451 k = 0.0000 0.0278 0.3049 ( 16978 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1137 -22.1137 -22.0332 -22.0332 -7.0080 -7.0080 -6.9130 -6.9130 -6.3558 -6.3558 -6.1138 -6.1138 -6.0214 -6.0214 -6.0148 -6.0148 -5.7388 -5.7388 -5.3769 -5.3769 2.5685 2.5685 3.0237 3.0237 3.0933 3.0933 3.3269 3.3269 4.0536 4.0536 4.1203 4.1203 7.6514 7.6514 8.1482 8.1482 8.9896 8.9896 9.1534 9.1534 k = 0.0000 0.0417 0.3049 ( 16978 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1134 -22.1134 -22.0333 -22.0333 -7.0139 -7.0139 -6.9086 -6.9086 -6.3623 -6.3623 -6.1108 -6.1108 -6.0244 -6.0244 -6.0154 -6.0154 -5.7303 -5.7303 -5.3773 -5.3773 2.5706 2.5706 2.9823 2.9823 3.0900 3.0900 3.3696 3.3696 4.0436 4.0436 4.1122 4.1122 7.6667 7.6667 8.1484 8.1484 9.0037 9.0037 9.1668 9.1668 k = 0.0000 0.0556 0.3049 ( 16978 PWs) bands (ev): -40.3426 -40.3426 -40.3327 -40.3327 -22.1130 -22.1130 -22.0334 -22.0334 -7.0213 -7.0213 -6.9033 -6.9033 -6.3709 -6.3709 -6.1069 -6.1069 -6.0321 -6.0321 -6.0117 -6.0117 -5.7192 -5.7192 -5.3778 -5.3778 2.5736 2.5736 2.9342 2.9342 3.0898 3.0898 3.4153 3.4153 4.0286 4.0286 4.1022 4.1022 7.6879 7.6879 8.1487 8.1487 9.0230 9.0230 9.1851 9.1851 k = 0.0000 0.0694 0.3049 ( 16970 PWs) bands (ev): -40.3426 -40.3426 -40.3327 -40.3327 -22.1125 -22.1125 -22.0336 -22.0336 -7.0297 -7.0297 -6.8977 -6.8977 -6.3813 -6.3813 -6.1025 -6.1025 -6.0416 -6.0416 -6.0063 -6.0063 -5.7063 -5.7063 -5.3784 -5.3784 2.5772 2.5772 2.8834 2.8834 3.0910 3.0910 3.4614 3.4614 4.0081 4.0081 4.0913 4.0913 7.7148 7.7148 8.1492 8.1492 9.0471 9.0471 9.2077 9.2077 k = 0.0000 0.0833 0.3049 ( 16952 PWs) bands (ev): -40.3425 -40.3425 -40.3327 -40.3327 -22.1119 -22.1119 -22.0339 -22.0339 -7.0388 -7.0388 -6.8922 -6.8922 -6.3931 -6.3931 -6.0979 -6.0979 -6.0517 -6.0517 -5.9998 -5.9998 -5.6920 -5.6920 -5.3791 -5.3791 2.5815 2.5815 2.8315 2.8315 3.0931 3.0931 3.5069 3.5069 3.9822 3.9822 4.0798 4.0798 7.7469 7.7469 8.1498 8.1498 9.0753 9.0753 9.2336 9.2336 k = 0.0000 0.0972 0.3049 ( 16950 PWs) bands (ev): -40.3425 -40.3425 -40.3328 -40.3328 -22.1112 -22.1112 -22.0341 -22.0341 -7.0484 -7.0484 -6.8870 -6.8870 -6.4058 -6.4058 -6.0938 -6.0938 -6.0614 -6.0614 -5.9921 -5.9921 -5.6769 -5.6769 -5.3798 -5.3798 2.5863 2.5863 2.7796 2.7796 3.0960 3.0960 3.5511 3.5511 3.9514 3.9514 4.0677 4.0677 7.7841 7.7841 8.1505 8.1505 9.1068 9.1068 9.2621 9.2621 k = 0.0000 0.1111 0.3049 ( 16950 PWs) bands (ev): -40.3424 -40.3424 -40.3329 -40.3329 -22.1104 -22.1104 -22.0345 -22.0345 -7.0582 -7.0582 -6.8824 -6.8824 -6.4191 -6.4191 -6.0923 -6.0923 -6.0686 -6.0686 -5.9836 -5.9836 -5.6613 -5.6613 -5.3806 -5.3806 2.5914 2.5914 2.7283 2.7283 3.0994 3.0994 3.5934 3.5934 3.9166 3.9166 4.0551 4.0551 7.8260 7.8260 8.1514 8.1514 9.1406 9.1406 9.2917 9.2917 k = 0.0000 0.1250 0.3049 ( 16942 PWs) bands (ev): -40.3423 -40.3423 -40.3329 -40.3329 -22.1095 -22.1095 -22.0348 -22.0348 -7.0683 -7.0683 -6.8787 -6.8787 -6.4326 -6.4326 -6.0965 -6.0965 -6.0698 -6.0698 -5.9742 -5.9742 -5.6457 -5.6457 -5.3814 -5.3814 2.5962 2.5962 2.6782 2.6782 3.1034 3.1034 3.6336 3.6336 3.8784 3.8784 4.0416 4.0416 7.8720 7.8720 8.1525 8.1525 9.1754 9.1754 9.3213 9.3213 k = 0.0000 0.1389 0.3049 ( 16946 PWs) bands (ev): -40.3422 -40.3422 -40.3330 -40.3330 -22.1085 -22.1085 -22.0352 -22.0352 -7.0783 -7.0783 -6.8762 -6.8762 -6.4458 -6.4458 -6.1054 -6.1054 -6.0660 -6.0660 -5.9641 -5.9641 -5.6303 -5.6303 -5.3821 -5.3821 2.5979 2.5979 2.6325 2.6325 3.1080 3.1080 3.6713 3.6713 3.8378 3.8378 4.0272 4.0272 7.9219 7.9219 8.1539 8.1539 9.2098 9.2098 9.3492 9.3492 k = 0.0000 0.1528 0.3049 ( 16940 PWs) bands (ev): -40.3421 -40.3421 -40.3331 -40.3331 -22.1074 -22.1074 -22.0357 -22.0357 -7.0883 -7.0883 -6.8749 -6.8749 -6.4584 -6.4584 -6.1157 -6.1157 -6.0604 -6.0604 -5.9535 -5.9535 -5.6153 -5.6153 -5.3827 -5.3827 2.5726 2.5726 2.6150 2.6150 3.1132 3.1132 3.7059 3.7059 3.7958 3.7958 4.0119 4.0119 7.9751 7.9751 8.1557 8.1557 9.2424 9.2424 9.3739 9.3739 k = 0.0000 0.1667 0.3049 ( 16940 PWs) bands (ev): -40.3420 -40.3420 -40.3332 -40.3332 -22.1062 -22.1062 -22.0362 -22.0362 -7.0982 -7.0982 -6.8753 -6.8753 -6.4700 -6.4700 -6.1264 -6.1264 -6.0540 -6.0540 -5.9425 -5.9425 -5.6010 -5.6010 -5.3832 -5.3832 2.5284 2.5284 2.6177 2.6177 3.1189 3.1189 3.7337 3.7337 3.7569 3.7569 3.9956 3.9956 8.0311 8.0311 8.1579 8.1579 9.2723 9.2723 9.3940 9.3940 k = 0.0000 0.1806 0.3049 ( 16944 PWs) bands (ev): -40.3419 -40.3419 -40.3334 -40.3334 -22.1049 -22.1049 -22.0367 -22.0367 -7.1079 -7.1079 -6.8773 -6.8773 -6.4803 -6.4803 -6.1371 -6.1371 -6.0470 -6.0470 -5.9313 -5.9313 -5.5876 -5.5876 -5.3834 -5.3834 2.4840 2.4840 2.6217 2.6217 3.1251 3.1251 3.7061 3.7061 3.7701 3.7701 3.9784 3.9784 8.0894 8.0894 8.1606 8.1606 9.2990 9.2990 9.4081 9.4081 k = 0.0000 0.1944 0.3049 ( 16948 PWs) bands (ev): -40.3418 -40.3418 -40.3335 -40.3335 -22.1036 -22.1036 -22.0373 -22.0373 -7.1174 -7.1174 -6.8811 -6.8811 -6.4890 -6.4890 -6.1477 -6.1477 -6.0398 -6.0398 -5.9198 -5.9198 -5.5751 -5.5751 -5.3834 -5.3834 2.4411 2.4411 2.6251 2.6251 3.1319 3.1319 3.6640 3.6640 3.7953 3.7953 3.9603 3.9603 8.1491 8.1491 8.1642 8.1642 9.3223 9.3223 9.4159 9.4159 k = 0.0000 0.2083 0.3049 ( 16940 PWs) bands (ev): -40.3416 -40.3416 -40.3336 -40.3336 -22.1022 -22.1022 -22.0380 -22.0380 -7.1265 -7.1265 -6.8869 -6.8869 -6.4958 -6.4958 -6.1581 -6.1581 -6.0322 -6.0322 -5.9083 -5.9083 -5.5636 -5.5636 -5.3831 -5.3831 2.4001 2.4001 2.6272 2.6272 3.1393 3.1393 3.6228 3.6228 3.8175 3.8175 3.9416 3.9416 8.1676 8.1676 8.2107 8.2107 9.3428 9.3428 9.4174 9.4174 k = 0.0000 0.2222 0.3049 ( 16946 PWs) bands (ev): -40.3415 -40.3415 -40.3337 -40.3337 -22.1007 -22.1007 -22.0387 -22.0387 -7.1352 -7.1352 -6.8946 -6.8946 -6.5008 -6.5008 -6.1684 -6.1684 -6.0243 -6.0243 -5.8970 -5.8970 -5.5533 -5.5533 -5.3825 -5.3825 2.3614 2.3614 2.6275 2.6275 3.1473 3.1473 3.5837 3.5837 3.8361 3.8361 3.9224 3.9224 8.1725 8.1725 8.2718 8.2718 9.3611 9.3611 9.4132 9.4132 k = 0.0000 0.2361 0.3049 ( 16944 PWs) bands (ev): -40.3413 -40.3413 -40.3339 -40.3339 -22.0991 -22.0991 -22.0395 -22.0395 -7.1435 -7.1435 -6.9041 -6.9041 -6.5038 -6.5038 -6.1785 -6.1785 -6.0161 -6.0161 -5.8858 -5.8858 -5.5440 -5.5440 -5.3816 -5.3816 2.3251 2.3251 2.6256 2.6256 3.1558 3.1558 3.5476 3.5476 3.8501 3.8501 3.9037 3.9037 8.1781 8.1781 8.3323 8.3323 9.3778 9.3778 9.4047 9.4047 k = 0.0000 0.2500 0.3049 ( 16956 PWs) bands (ev): -40.3412 -40.3412 -40.3340 -40.3340 -22.0975 -22.0975 -22.0403 -22.0403 -7.1513 -7.1513 -6.9152 -6.9152 -6.5050 -6.5050 -6.1884 -6.1884 -6.0077 -6.0077 -5.8750 -5.8750 -5.5358 -5.5358 -5.3805 -5.3805 2.2912 2.2912 2.6208 2.6208 3.1650 3.1650 3.5152 3.5152 3.8559 3.8559 3.8891 3.8891 8.1847 8.1847 8.3910 8.3910 9.3920 9.3920 9.3949 9.3949 k = 0.0000 0.2639 0.3049 ( 16944 PWs) bands (ev): -40.3410 -40.3410 -40.3342 -40.3342 -22.0958 -22.0958 -22.0412 -22.0412 -7.1586 -7.1586 -6.9278 -6.9278 -6.5043 -6.5043 -6.1983 -6.1983 -5.9990 -5.9990 -5.8646 -5.8646 -5.5285 -5.5285 -5.3792 -5.3792 2.2600 2.2600 2.6129 2.6129 3.1748 3.1748 3.4874 3.4874 3.8462 3.8462 3.8859 3.8859 8.1923 8.1923 8.4468 8.4468 9.3813 9.3813 9.4087 9.4087 k = 0.0000 0.2778 0.3049 ( 16930 PWs) bands (ev): -40.3408 -40.3408 -40.3343 -40.3343 -22.0941 -22.0941 -22.0421 -22.0421 -7.1652 -7.1652 -6.9415 -6.9415 -6.5021 -6.5021 -6.2080 -6.2080 -5.9901 -5.9901 -5.8548 -5.8548 -5.5219 -5.5219 -5.3779 -5.3779 2.2316 2.2316 2.6015 2.6015 3.1852 3.1852 3.4645 3.4645 3.8270 3.8270 3.8884 3.8884 8.2009 8.2009 8.4982 8.4982 9.3702 9.3702 9.4233 9.4233 k = 0.0000 0.2917 0.3049 ( 16946 PWs) bands (ev): -40.3407 -40.3407 -40.3345 -40.3345 -22.0923 -22.0923 -22.0431 -22.0431 -7.1713 -7.1713 -6.9562 -6.9562 -6.4985 -6.4985 -6.2177 -6.2177 -5.9810 -5.9810 -5.8458 -5.8458 -5.5160 -5.5160 -5.3766 -5.3766 2.2060 2.2060 2.5865 2.5865 3.1963 3.1963 3.4470 3.4470 3.8049 3.8049 3.8898 3.8898 8.2107 8.2107 8.5437 8.5437 9.3619 9.3619 9.4378 9.4378 k = 0.0000 0.3056 0.3049 ( 16954 PWs) bands (ev): -40.3405 -40.3405 -40.3347 -40.3347 -22.0905 -22.0905 -22.0441 -22.0441 -7.1766 -7.1766 -6.9715 -6.9715 -6.4936 -6.4936 -6.2273 -6.2273 -5.9718 -5.9718 -5.8377 -5.8377 -5.5105 -5.5105 -5.3754 -5.3754 2.1833 2.1833 2.5679 2.5679 3.2080 3.2080 3.4350 3.4350 3.7818 3.7818 3.8888 3.8888 8.2215 8.2215 8.5820 8.5820 9.3580 9.3580 9.4522 9.4522 k = 0.0000 0.3194 0.3049 ( 16950 PWs) bands (ev): -40.3403 -40.3403 -40.3349 -40.3349 -22.0887 -22.0887 -22.0452 -22.0452 -7.1812 -7.1812 -6.9873 -6.9873 -6.4876 -6.4876 -6.2370 -6.2370 -5.9624 -5.9624 -5.8305 -5.8305 -5.5052 -5.5052 -5.3746 -5.3746 2.1636 2.1636 2.5460 2.5460 3.2204 3.2204 3.4285 3.4285 3.7580 3.7580 3.8849 3.8849 8.2335 8.2335 8.6119 8.6119 9.3595 9.3595 9.4664 9.4664 k = 0.0000 0.3333 0.3049 ( 16954 PWs) bands (ev): -40.3401 -40.3401 -40.3351 -40.3351 -22.0868 -22.0868 -22.0463 -22.0463 -7.1850 -7.1850 -7.0032 -7.0032 -6.4808 -6.4808 -6.2466 -6.2466 -5.9528 -5.9528 -5.8244 -5.8244 -5.5000 -5.5000 -5.3742 -5.3742 2.1469 2.1469 2.5211 2.5211 3.2335 3.2335 3.4270 3.4270 3.7339 3.7339 3.8783 3.8783 8.2467 8.2467 8.6327 8.6327 9.3671 9.3671 9.4803 9.4803 k = 0.0000 0.3472 0.3049 ( 16948 PWs) bands (ev): -40.3399 -40.3399 -40.3353 -40.3353 -22.0849 -22.0849 -22.0475 -22.0475 -7.1880 -7.1880 -7.0191 -7.0191 -6.4732 -6.4732 -6.2562 -6.2562 -5.9432 -5.9432 -5.8196 -5.8196 -5.4946 -5.4946 -5.3743 -5.3743 2.1333 2.1333 2.4938 2.4938 3.2473 3.2473 3.4303 3.4303 3.7095 3.7095 3.8690 3.8690 8.2609 8.2609 8.6445 8.6445 9.3804 9.3804 9.4938 9.4938 k = 0.0000 0.3611 0.3049 ( 16934 PWs) bands (ev): -40.3397 -40.3397 -40.3354 -40.3354 -22.0830 -22.0830 -22.0488 -22.0488 -7.1901 -7.1901 -7.0349 -7.0349 -6.4649 -6.4649 -6.2659 -6.2659 -5.9335 -5.9335 -5.8159 -5.8159 -5.4890 -5.4890 -5.3750 -5.3750 2.1228 2.1228 2.4646 2.4646 3.2618 3.2618 3.4379 3.4379 3.6850 3.6850 3.8572 3.8572 8.2761 8.2761 8.6480 8.6480 9.3984 9.3984 9.5068 9.5068 k = 0.0000 0.3750 0.3049 ( 16934 PWs) bands (ev): -40.3395 -40.3395 -40.3356 -40.3356 -22.0811 -22.0811 -22.0501 -22.0501 -7.1914 -7.1914 -7.0504 -7.0504 -6.4562 -6.4562 -6.2757 -6.2757 -5.9238 -5.9238 -5.8136 -5.8136 -5.4830 -5.4830 -5.3763 -5.3763 2.1154 2.1154 2.4342 2.4342 3.2771 3.2771 3.4491 3.4491 3.6604 3.6604 3.8430 3.8430 8.2924 8.2924 8.6444 8.6444 9.4198 9.4198 9.5191 9.5191 k = 0.0000 0.3889 0.3049 ( 16930 PWs) bands (ev): -40.3393 -40.3393 -40.3358 -40.3358 -22.0792 -22.0792 -22.0515 -22.0515 -7.1917 -7.1917 -7.0654 -7.0654 -6.4470 -6.4470 -6.2855 -6.2855 -5.9141 -5.9141 -5.8125 -5.8125 -5.4767 -5.4767 -5.3784 -5.3784 2.1111 2.1111 2.4031 2.4031 3.2931 3.2931 3.4634 3.4634 3.6360 3.6360 3.8267 3.8267 8.3096 8.3096 8.6350 8.6350 9.4428 9.4428 9.5305 9.5305 k = 0.0000 0.4028 0.3049 ( 16928 PWs) bands (ev): -40.3391 -40.3391 -40.3360 -40.3360 -22.0773 -22.0773 -22.0529 -22.0529 -7.1911 -7.1911 -7.0798 -7.0798 -6.4375 -6.4375 -6.2954 -6.2954 -5.9045 -5.9045 -5.8127 -5.8127 -5.4700 -5.4700 -5.3811 -5.3811 2.1100 2.1100 2.3719 2.3719 3.3099 3.3099 3.4804 3.4804 3.6117 3.6117 3.8084 3.8084 8.3277 8.3277 8.6212 8.6212 9.4660 9.4660 9.5409 9.5409 k = 0.0000 0.4167 0.3049 ( 16924 PWs) bands (ev): -40.3389 -40.3389 -40.3363 -40.3363 -22.0754 -22.0754 -22.0544 -22.0544 -7.1895 -7.1895 -7.0936 -7.0936 -6.4278 -6.4278 -6.3053 -6.3053 -5.8950 -5.8950 -5.8141 -5.8141 -5.4630 -5.4630 -5.3846 -5.3846 2.1119 2.1119 2.3411 2.3411 3.3274 3.3274 3.4993 3.4993 3.5879 3.5879 3.7884 3.7884 8.3466 8.3466 8.6041 8.6041 9.4882 9.4882 9.5500 9.5500 k = 0.0000 0.4306 0.3049 ( 16908 PWs) bands (ev): -40.3387 -40.3387 -40.3365 -40.3365 -22.0735 -22.0735 -22.0559 -22.0559 -7.1869 -7.1869 -7.1067 -7.1067 -6.4178 -6.4178 -6.3153 -6.3153 -5.8857 -5.8857 -5.8167 -5.8167 -5.4557 -5.4557 -5.3888 -5.3888 2.1168 2.1168 2.3111 2.3111 3.3456 3.3456 3.5188 3.5188 3.5656 3.5656 3.7669 3.7669 8.3664 8.3664 8.5847 8.5847 9.5084 9.5084 9.5577 9.5577 k = 0.0000 0.4444 0.3049 ( 16896 PWs) bands (ev): -40.3384 -40.3384 -40.3367 -40.3367 -22.0716 -22.0716 -22.0575 -22.0575 -7.1834 -7.1834 -7.1189 -7.1189 -6.4077 -6.4077 -6.3254 -6.3254 -5.8766 -5.8766 -5.8204 -5.8204 -5.4482 -5.4482 -5.3936 -5.3936 2.1247 2.1247 2.2822 2.2822 3.3645 3.3645 3.5288 3.5288 3.5547 3.5547 3.7442 3.7442 8.3868 8.3868 8.5638 8.5638 9.5261 9.5261 9.5638 9.5638 k = 0.0000 0.4583 0.3049 ( 16900 PWs) bands (ev): -40.3382 -40.3382 -40.3369 -40.3369 -22.0697 -22.0697 -22.0591 -22.0591 -7.1788 -7.1788 -7.1303 -7.1303 -6.3974 -6.3974 -6.3356 -6.3356 -5.8677 -5.8677 -5.8250 -5.8250 -5.4407 -5.4407 -5.3991 -5.3991 2.1355 2.1355 2.2548 2.2548 3.3841 3.3841 3.5121 3.5121 3.5719 3.5719 3.7204 3.7204 8.4079 8.4079 8.5419 8.5419 9.5409 9.5409 9.5679 9.5679 k = 0.0000 0.4722 0.3049 ( 16896 PWs) bands (ev): -40.3380 -40.3380 -40.3371 -40.3371 -22.0679 -22.0679 -22.0608 -22.0608 -7.1732 -7.1732 -7.1408 -7.1408 -6.3871 -6.3871 -6.3458 -6.3458 -5.8593 -5.8593 -5.8305 -5.8305 -5.4331 -5.4331 -5.4051 -5.4051 2.1492 2.1492 2.2293 2.2293 3.4043 3.4043 3.4903 3.4903 3.5955 3.5955 3.6958 3.6958 8.4295 8.4295 8.5194 8.5194 9.5525 9.5525 9.5700 9.5700 k = 0.0000 0.4861 0.3049 ( 16902 PWs) bands (ev): -40.3378 -40.3378 -40.3373 -40.3373 -22.0661 -22.0661 -22.0625 -22.0625 -7.1666 -7.1666 -7.1504 -7.1504 -6.3768 -6.3768 -6.3561 -6.3561 -5.8512 -5.8512 -5.8367 -5.8367 -5.4257 -5.4257 -5.4116 -5.4116 2.1655 2.1655 2.2057 2.2057 3.4251 3.4251 3.4682 3.4682 3.6202 3.6202 3.6708 3.6708 8.4516 8.4516 8.4967 8.4967 9.5611 9.5611 9.5697 9.5697 k = 0.0000 0.5000 0.3049 ( 16900 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1590 -7.1590 -7.1590 -7.1590 -6.3665 -6.3665 -6.3665 -6.3665 -5.8437 -5.8437 -5.8437 -5.8437 -5.4185 -5.4185 -5.4185 -5.4185 2.1844 2.1844 2.1844 2.1844 3.4464 3.4464 3.4464 3.4464 3.6455 3.6455 3.6455 3.6455 8.4741 8.4741 8.4741 8.4741 9.5668 9.5668 9.5668 9.5668 k = 0.0000 0.5000 0.3049 ( 16900 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1590 -7.1590 -7.1590 -7.1590 -6.3665 -6.3665 -6.3665 -6.3665 -5.8437 -5.8437 -5.8437 -5.8437 -5.4185 -5.4185 -5.4185 -5.4185 2.1844 2.1844 2.1844 2.1844 3.4464 3.4464 3.4464 3.4464 3.6455 3.6455 3.6455 3.6455 8.4741 8.4741 8.4741 8.4741 9.5668 9.5668 9.5668 9.5668 k = 0.0139 0.5000 0.3049 ( 16920 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0642 -22.0642 -22.0642 -22.0642 -7.1594 -7.1594 -7.1578 -7.1578 -6.3704 -6.3704 -6.3627 -6.3627 -5.8480 -5.8480 -5.8398 -5.8398 -5.4199 -5.4199 -5.4181 -5.4181 2.1848 2.1848 2.1852 2.1852 3.4438 3.4438 3.4469 3.4469 3.6443 3.6443 3.6459 3.6459 8.4739 8.4739 8.4758 8.4758 9.5694 9.5694 9.5700 9.5700 k = 0.0278 0.5000 0.3049 ( 16912 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0642 -22.0642 -22.0642 -22.0642 -7.1590 -7.1590 -7.1558 -7.1558 -6.3745 -6.3745 -6.3592 -6.3592 -5.8529 -5.8529 -5.8365 -5.8365 -5.4222 -5.4222 -5.4187 -5.4187 2.1866 2.1866 2.1872 2.1872 3.4393 3.4393 3.4454 3.4454 3.6422 3.6422 3.6455 3.6455 8.4754 8.4754 8.4790 8.4790 9.5776 9.5776 9.5788 9.5788 k = 0.0417 0.5000 0.3049 ( 16916 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0641 -22.0641 -22.0641 -22.0641 -7.1578 -7.1578 -7.1531 -7.1531 -6.3787 -6.3787 -6.3558 -6.3558 -5.8582 -5.8582 -5.8336 -5.8336 -5.4257 -5.4257 -5.4203 -5.4203 2.1895 2.1895 2.1904 2.1904 3.4328 3.4328 3.4419 3.4419 3.6395 3.6395 3.6442 3.6442 8.4783 8.4783 8.4838 8.4838 9.5914 9.5914 9.5933 9.5933 k = 0.0556 0.5000 0.3049 ( 16912 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0640 -22.0640 -22.0640 -22.0640 -7.1559 -7.1559 -7.1495 -7.1495 -6.3831 -6.3831 -6.3526 -6.3526 -5.8641 -5.8641 -5.8312 -5.8312 -5.4301 -5.4301 -5.4228 -5.4228 2.1937 2.1937 2.1948 2.1948 3.4245 3.4245 3.4364 3.4364 3.6359 3.6359 3.6421 3.6421 8.4828 8.4828 8.4900 8.4900 9.6106 9.6106 9.6131 9.6131 k = 0.0694 0.5000 0.3049 ( 16920 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0639 -22.0639 -22.0639 -22.0639 -7.1532 -7.1532 -7.1452 -7.1452 -6.3877 -6.3877 -6.3496 -6.3496 -5.8703 -5.8703 -5.8293 -5.8293 -5.4355 -5.4355 -5.4263 -5.4263 2.1990 2.1990 2.2004 2.2004 3.4144 3.4144 3.4291 3.4291 3.6316 3.6316 3.6391 3.6391 8.4887 8.4887 8.4977 8.4977 9.6348 9.6348 9.6379 9.6379 k = 0.0833 0.5000 0.3049 ( 16908 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0637 -22.0637 -22.0637 -22.0637 -7.1498 -7.1498 -7.1402 -7.1402 -6.3924 -6.3924 -6.3467 -6.3467 -5.8771 -5.8771 -5.8278 -5.8278 -5.4419 -5.4419 -5.4307 -5.4307 2.2056 2.2056 2.2070 2.2070 3.4027 3.4027 3.4199 3.4199 3.6266 3.6266 3.6352 3.6352 8.4961 8.4961 8.5067 8.5067 9.6637 9.6637 9.6675 9.6675 k = 0.0972 0.5000 0.3049 ( 16908 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0635 -22.0635 -22.0635 -22.0635 -7.1457 -7.1457 -7.1345 -7.1345 -6.3972 -6.3972 -6.3440 -6.3440 -5.8842 -5.8842 -5.8268 -5.8268 -5.4492 -5.4492 -5.4361 -5.4361 2.2132 2.2132 2.2148 2.2148 3.3895 3.3895 3.4091 3.4091 3.6209 3.6209 3.6305 3.6305 8.5049 8.5049 8.5170 8.5170 9.6967 9.6967 9.7012 9.7012 k = 0.1111 0.5000 0.3049 ( 16912 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0632 -22.0632 -22.0632 -22.0632 -7.1410 -7.1410 -7.1280 -7.1280 -6.4020 -6.4020 -6.3414 -6.3414 -5.8918 -5.8918 -5.8261 -5.8261 -5.4575 -5.4575 -5.4423 -5.4423 2.2220 2.2220 2.2235 2.2235 3.3748 3.3748 3.3967 3.3967 3.6145 3.6145 3.6250 3.6250 8.5149 8.5149 8.5286 8.5286 9.7333 9.7333 9.7385 9.7385 k = 0.1250 0.5000 0.3049 ( 16924 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0630 -22.0630 -22.0630 -22.0630 -7.1355 -7.1355 -7.1210 -7.1210 -6.4069 -6.4069 -6.3389 -6.3389 -5.8997 -5.8997 -5.8258 -5.8258 -5.4668 -5.4668 -5.4493 -5.4493 2.2317 2.2317 2.2331 2.2331 3.3590 3.3590 3.3830 3.3830 3.6074 3.6074 3.6186 3.6186 8.5263 8.5263 8.5413 8.5413 9.7727 9.7727 9.7787 9.7787 k = 0.1389 0.5000 0.3049 ( 16924 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0627 -22.0627 -22.0627 -22.0627 -7.1295 -7.1295 -7.1133 -7.1133 -6.4117 -6.4117 -6.3365 -6.3365 -5.9079 -5.9079 -5.8259 -5.8259 -5.4769 -5.4769 -5.4571 -5.4571 2.2425 2.2425 2.2437 2.2437 3.3420 3.3420 3.3680 3.3680 3.5996 3.5996 3.6115 3.6115 8.5388 8.5388 8.5552 8.5552 9.8142 9.8142 9.8210 9.8210 k = 0.1528 0.5000 0.3049 ( 16916 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0624 -22.0624 -22.0624 -22.0624 -7.1230 -7.1230 -7.1051 -7.1051 -6.4165 -6.4165 -6.3341 -6.3341 -5.9165 -5.9165 -5.8263 -5.8263 -5.4879 -5.4879 -5.4657 -5.4657 2.2541 2.2541 2.2550 2.2550 3.3240 3.3240 3.3519 3.3519 3.5913 3.5913 3.6037 3.6037 8.5525 8.5525 8.5700 8.5700 9.8568 9.8568 9.8646 9.8646 k = 0.1667 0.5000 0.3049 ( 16908 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0621 -22.0621 -22.0621 -22.0621 -7.1159 -7.1159 -7.0964 -7.0964 -6.4212 -6.4212 -6.3317 -6.3317 -5.9253 -5.9253 -5.8270 -5.8270 -5.4997 -5.4997 -5.4750 -5.4750 2.2665 2.2665 2.2671 2.2671 3.3052 3.3052 3.3348 3.3348 3.5823 3.5823 3.5951 3.5951 8.5673 8.5673 8.5857 8.5857 9.8997 9.8997 9.9085 9.9085 k = 0.1806 0.5000 0.3049 ( 16924 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0617 -22.0617 -22.0617 -22.0617 -7.1084 -7.1084 -7.0873 -7.0873 -6.4256 -6.4256 -6.3293 -6.3293 -5.9343 -5.9343 -5.8280 -5.8280 -5.5122 -5.5122 -5.4849 -5.4849 2.2798 2.2798 2.2798 2.2798 3.2858 3.2858 3.3170 3.3170 3.5729 3.5729 3.5860 3.5860 8.5830 8.5830 8.6022 8.6022 9.9418 9.9418 9.9518 9.9518 k = 0.1944 0.5000 0.3049 ( 16896 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0614 -22.0614 -22.0614 -22.0614 -7.1005 -7.1005 -7.0778 -7.0778 -6.4299 -6.4299 -6.3268 -6.3268 -5.9436 -5.9436 -5.8293 -5.8293 -5.5255 -5.5255 -5.4954 -5.4954 2.2932 2.2932 2.2937 2.2937 3.2658 3.2658 3.2984 3.2984 3.5629 3.5629 3.5762 3.5762 8.5996 8.5996 8.6194 8.6194 9.9822 9.9822 9.9937 9.9937 k = 0.2083 0.5000 0.3049 ( 16900 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0610 -22.0610 -22.0610 -22.0610 -7.0923 -7.0923 -7.0680 -7.0680 -6.4337 -6.4337 -6.3242 -6.3242 -5.9531 -5.9531 -5.8309 -5.8309 -5.5393 -5.5393 -5.5064 -5.5064 2.3070 2.3070 2.3082 2.3082 3.2453 3.2453 3.2794 3.2794 3.5526 3.5526 3.5660 3.5660 8.6170 8.6170 8.6373 8.6373 10.0200 10.0200 10.0333 10.0333 k = 0.2222 0.5000 0.3049 ( 16880 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0606 -22.0606 -22.0606 -22.0606 -7.0838 -7.0838 -7.0581 -7.0581 -6.4372 -6.4372 -6.3215 -6.3215 -5.9627 -5.9627 -5.8328 -5.8328 -5.5537 -5.5537 -5.5178 -5.5178 2.3213 2.3213 2.3233 2.3233 3.2246 3.2246 3.2599 3.2599 3.5419 3.5419 3.5554 3.5554 8.6352 8.6352 8.6556 8.6556 10.0545 10.0545 10.0700 10.0700 k = 0.2361 0.5000 0.3049 ( 16864 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0602 -22.0602 -22.0602 -22.0602 -7.0751 -7.0751 -7.0480 -7.0480 -6.4401 -6.4401 -6.3186 -6.3186 -5.9725 -5.9725 -5.8351 -5.8351 -5.5685 -5.5685 -5.5296 -5.5296 2.3360 2.3360 2.3389 2.3389 3.2037 3.2037 3.2401 3.2401 3.5309 3.5309 3.5444 3.5444 8.6539 8.6539 8.6744 8.6744 10.0848 10.0848 10.1030 10.1030 k = 0.2500 0.5000 0.3049 ( 16852 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0599 -22.0599 -22.0599 -22.0599 -7.0663 -7.0663 -7.0380 -7.0380 -6.4424 -6.4424 -6.3154 -6.3154 -5.9824 -5.9824 -5.8378 -5.8378 -5.5835 -5.5835 -5.5417 -5.5417 2.3510 2.3510 2.3548 2.3548 3.1828 3.1828 3.2201 3.2201 3.5197 3.5197 3.5332 3.5332 8.6731 8.6731 8.6934 8.6934 10.1103 10.1103 10.1317 10.1317 k = 0.2639 0.5000 0.3049 ( 16864 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0595 -22.0595 -22.0595 -22.0595 -7.0574 -7.0574 -7.0280 -7.0280 -6.4440 -6.4440 -6.3121 -6.3121 -5.9923 -5.9923 -5.8410 -5.8410 -5.5987 -5.5987 -5.5540 -5.5540 2.3663 2.3663 2.3711 2.3711 3.1619 3.1619 3.1999 3.1999 3.5085 3.5085 3.5218 3.5218 8.6927 8.6927 8.7126 8.7126 10.1303 10.1303 10.1553 10.1553 k = 0.2778 0.5000 0.3049 ( 16852 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0591 -22.0591 -22.0591 -22.0591 -7.0485 -7.0485 -7.0183 -7.0183 -6.4448 -6.4448 -6.3085 -6.3085 -6.0024 -6.0024 -5.8447 -5.8447 -5.6139 -5.6139 -5.5663 -5.5663 2.3818 2.3818 2.3876 2.3876 3.1411 3.1411 3.1798 3.1798 3.4972 3.4972 3.5103 3.5103 8.7126 8.7126 8.7318 8.7318 10.1444 10.1444 10.1730 10.1730 k = 0.2917 0.5000 0.3049 ( 16864 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0587 -22.0587 -22.0587 -22.0587 -7.0397 -7.0397 -7.0089 -7.0089 -6.4448 -6.4448 -6.3046 -6.3046 -6.0123 -6.0123 -5.8490 -5.8490 -5.6288 -5.6288 -5.5787 -5.5787 2.3974 2.3974 2.4043 2.4043 3.1206 3.1206 3.1597 3.1597 3.4860 3.4860 3.4989 3.4989 8.7325 8.7325 8.7509 8.7509 10.1524 10.1524 10.1843 10.1843 k = 0.3056 0.5000 0.3049 ( 16868 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0584 -22.0584 -22.0584 -22.0584 -7.0310 -7.0310 -6.9998 -6.9998 -6.4437 -6.4437 -6.3005 -6.3005 -6.0222 -6.0222 -5.8542 -5.8542 -5.6432 -5.6432 -5.5909 -5.5909 2.4130 2.4130 2.4210 2.4210 3.1004 3.1004 3.1397 3.1397 3.4750 3.4750 3.4875 3.4875 8.7524 8.7524 8.7699 8.7699 10.1547 10.1547 10.1890 10.1890 k = 0.3194 0.5000 0.3049 ( 16864 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0580 -22.0580 -22.0580 -22.0580 -7.0226 -7.0226 -6.9914 -6.9914 -6.4416 -6.4416 -6.2963 -6.2963 -6.0319 -6.0319 -5.8603 -5.8603 -5.6569 -5.6569 -5.6030 -5.6030 2.4286 2.4286 2.4377 2.4377 3.0807 3.0807 3.1200 3.1200 3.4643 3.4643 3.4764 3.4764 8.7721 8.7721 8.7885 8.7885 10.1520 10.1520 10.1877 10.1877 k = 0.3333 0.5000 0.3049 ( 16852 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0577 -22.0577 -22.0577 -22.0577 -7.0143 -7.0143 -6.9835 -6.9835 -6.4384 -6.4384 -6.2920 -6.2920 -6.0413 -6.0413 -5.8676 -5.8676 -5.6696 -5.6696 -5.6148 -5.6148 2.4442 2.4442 2.4543 2.4543 3.0615 3.0615 3.1005 3.1005 3.4539 3.4539 3.4655 3.4655 8.7914 8.7914 8.8066 8.8066 10.1452 10.1452 10.1812 10.1812 k = 0.3472 0.5000 0.3049 ( 16856 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0573 -22.0573 -22.0573 -22.0573 -7.0064 -7.0064 -6.9763 -6.9763 -6.4341 -6.4341 -6.2879 -6.2879 -6.0501 -6.0501 -5.8761 -5.8761 -5.6810 -5.6810 -5.6263 -5.6263 2.4596 2.4596 2.4706 2.4706 3.0430 3.0430 3.0813 3.0813 3.4441 3.4441 3.4551 3.4551 8.8103 8.8103 8.8242 8.8242 10.1355 10.1355 10.1707 10.1707 k = 0.3611 0.5000 0.3049 ( 16868 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0570 -22.0570 -22.0570 -22.0570 -6.9989 -6.9989 -6.9698 -6.9698 -6.4285 -6.4285 -6.2841 -6.2841 -6.0580 -6.0580 -5.8859 -5.8859 -5.6911 -5.6911 -5.6373 -5.6373 2.4747 2.4747 2.4865 2.4865 3.0252 3.0252 3.0626 3.0626 3.4348 3.4348 3.4451 3.4451 8.8284 8.8284 8.8410 8.8410 10.1238 10.1238 10.1576 10.1576 k = 0.3750 0.5000 0.3049 ( 16880 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0567 -22.0567 -22.0567 -22.0567 -6.9918 -6.9918 -6.9642 -6.9642 -6.4219 -6.4219 -6.2810 -6.2810 -6.0648 -6.0648 -5.8971 -5.8971 -5.6996 -5.6996 -5.6479 -5.6479 2.4895 2.4895 2.5019 2.5019 3.0084 3.0084 3.0444 3.0444 3.4261 3.4261 3.4358 3.4358 8.8457 8.8457 8.8569 8.8569 10.1110 10.1110 10.1427 10.1427 k = 0.3889 0.5000 0.3049 ( 16880 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0565 -22.0565 -22.0565 -22.0565 -6.9851 -6.9851 -6.9594 -6.9594 -6.4141 -6.4141 -6.2790 -6.2790 -6.0700 -6.0700 -5.9095 -5.9095 -5.7064 -5.7064 -5.6578 -5.6578 2.5038 2.5038 2.5165 2.5165 2.9927 2.9927 3.0269 3.0269 3.4183 3.4183 3.4271 3.4271 8.8620 8.8620 8.8718 8.8718 10.0978 10.0978 10.1270 10.1270 k = 0.4028 0.5000 0.3049 ( 16884 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0563 -22.0563 -22.0563 -22.0563 -6.9789 -6.9789 -6.9555 -6.9555 -6.4052 -6.4052 -6.2785 -6.2785 -6.0733 -6.0733 -5.9231 -5.9231 -5.7117 -5.7117 -5.6672 -5.6672 2.5175 2.5175 2.5302 2.5302 2.9783 2.9783 3.0102 3.0102 3.4112 3.4112 3.4191 3.4191 8.8770 8.8770 8.8854 8.8854 10.0850 10.0850 10.1112 10.1112 k = 0.4167 0.5000 0.3049 ( 16872 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0560 -22.0560 -22.0560 -22.0560 -6.9732 -6.9732 -6.9525 -6.9525 -6.3954 -6.3954 -6.2797 -6.2797 -6.0741 -6.0741 -5.9376 -5.9376 -5.7155 -5.7155 -5.6759 -5.6759 2.5304 2.5304 2.5427 2.5427 2.9654 2.9654 2.9945 2.9945 3.4050 3.4050 3.4120 3.4120 8.8906 8.8906 8.8977 8.8977 10.0730 10.0730 10.0961 10.0961 k = 0.4306 0.5000 0.3049 ( 16880 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0559 -22.0559 -22.0559 -22.0559 -6.9681 -6.9681 -6.9502 -6.9502 -6.3848 -6.3848 -6.2830 -6.2830 -6.0724 -6.0724 -5.9528 -5.9528 -5.7178 -5.7178 -5.6839 -5.6839 2.5423 2.5423 2.5537 2.5537 2.9543 2.9543 2.9800 2.9800 3.3998 3.3998 3.4057 3.4057 8.9026 8.9026 8.9083 8.9083 10.0624 10.0624 10.0820 10.0820 k = 0.4444 0.5000 0.3049 ( 16864 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0557 -22.0557 -22.0557 -22.0557 -6.9634 -6.9634 -6.9488 -6.9488 -6.3736 -6.3736 -6.2884 -6.2884 -6.0680 -6.0680 -5.9683 -5.9683 -5.7189 -5.7189 -5.6911 -5.6911 2.5529 2.5529 2.5629 2.5629 2.9453 2.9453 2.9670 2.9670 3.3956 3.3956 3.4004 3.4004 8.9128 8.9128 8.9173 8.9173 10.0535 10.0535 10.0694 10.0694 k = 0.4583 0.5000 0.3049 ( 16868 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0556 -22.0556 -22.0556 -22.0556 -6.9594 -6.9594 -6.9482 -6.9482 -6.3618 -6.3618 -6.2957 -6.2957 -6.0610 -6.0610 -5.9839 -5.9839 -5.7188 -5.7188 -5.6976 -5.6976 2.5619 2.5619 2.5701 2.5701 2.9387 2.9387 2.9557 2.9557 3.3924 3.3924 3.3960 3.3960 8.9210 8.9210 8.9243 8.9243 10.0467 10.0467 10.0588 10.0588 k = 0.4722 0.5000 0.3049 ( 16876 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9559 -6.9559 -6.9484 -6.9484 -6.3498 -6.3498 -6.3046 -6.3046 -6.0518 -6.0518 -5.9992 -5.9992 -5.7176 -5.7176 -5.7033 -5.7033 2.5692 2.5692 2.5750 2.5750 2.9347 2.9347 2.9464 2.9464 3.3903 3.3903 3.3927 3.3927 8.9271 8.9271 8.9293 8.9293 10.0423 10.0423 10.0504 10.0504 k = 0.4861 0.5000 0.3049 ( 16880 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9531 -6.9531 -6.9493 -6.9493 -6.3378 -6.3378 -6.3149 -6.3149 -6.0407 -6.0407 -6.0140 -6.0140 -5.7154 -5.7154 -5.7082 -5.7082 2.5743 2.5743 2.5773 2.5773 2.9335 2.9335 2.9394 2.9394 3.3893 3.3893 3.3905 3.3905 8.9311 8.9311 8.9321 8.9321 10.0403 10.0403 10.0444 10.0444 k = 0.5000 0.5000 0.3049 ( 16880 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9508 -6.9508 -6.9508 -6.9508 -6.3260 -6.3260 -6.3260 -6.3260 -6.0279 -6.0279 -6.0279 -6.0279 -5.7122 -5.7122 -5.7122 -5.7122 2.5771 2.5771 2.5771 2.5771 2.9351 2.9351 2.9351 2.9351 3.3893 3.3893 3.3893 3.3893 8.9327 8.9327 8.9327 8.9327 10.0411 10.0411 10.0411 10.0411 k = 0.5000 0.5000 0.3049 ( 16880 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9508 -6.9508 -6.9508 -6.9508 -6.3260 -6.3260 -6.3260 -6.3260 -6.0279 -6.0279 -6.0279 -6.0279 -5.7122 -5.7122 -5.7122 -5.7122 2.5771 2.5771 2.5771 2.5771 2.9351 2.9351 2.9351 2.9351 3.3893 3.3893 3.3893 3.3893 8.9327 8.9327 8.9327 8.9327 10.0411 10.0411 10.0411 10.0411 k = 0.4902 0.4902 0.3049 ( 16888 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0554 -22.0554 -6.9530 -6.9530 -6.9493 -6.9493 -6.3378 -6.3378 -6.3148 -6.3148 -6.0406 -6.0406 -6.0141 -6.0141 -5.7154 -5.7154 -5.7082 -5.7082 2.5736 2.5736 2.5780 2.5780 2.9327 2.9327 2.9401 2.9401 3.3893 3.3893 3.3905 3.3905 8.9302 8.9302 8.9330 8.9330 10.0402 10.0402 10.0446 10.0446 k = 0.4804 0.4804 0.3049 ( 16890 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0557 -22.0557 -22.0554 -22.0554 -6.9559 -6.9559 -6.9484 -6.9484 -6.3499 -6.3499 -6.3045 -6.3045 -6.0517 -6.0517 -5.9993 -5.9993 -5.7178 -5.7178 -5.7031 -5.7031 2.5655 2.5655 2.5791 2.5791 2.9299 2.9299 2.9507 2.9507 3.3902 3.3902 3.3928 3.3928 8.9231 8.9231 8.9335 8.9335 10.0409 10.0409 10.0516 10.0516 k = 0.4706 0.4706 0.3049 ( 16858 PWs) bands (ev): -40.3375 -40.3375 -40.3374 -40.3374 -22.0560 -22.0560 -22.0553 -22.0553 -6.9592 -6.9592 -6.9483 -6.9483 -6.3624 -6.3624 -6.2951 -6.2951 -6.0608 -6.0608 -5.9842 -5.9842 -5.7194 -5.7194 -5.6970 -5.6970 2.5532 2.5532 2.5808 2.5808 2.9256 2.9256 2.9667 2.9667 3.3922 3.3922 3.3964 3.3964 8.9118 8.9118 8.9343 8.9343 10.0428 10.0428 10.0622 10.0622 k = 0.4608 0.4608 0.3049 ( 16870 PWs) bands (ev): -40.3376 -40.3376 -40.3374 -40.3374 -22.0563 -22.0563 -22.0551 -22.0551 -6.9629 -6.9629 -6.9490 -6.9490 -6.3750 -6.3750 -6.2869 -6.2869 -6.0676 -6.0676 -5.9689 -5.9689 -5.7204 -5.7204 -5.6898 -5.6898 2.5379 2.5379 2.5832 2.5832 2.9197 2.9197 2.9870 2.9870 3.3952 3.3952 3.4012 3.4012 8.8967 8.8967 8.9353 8.9353 10.0457 10.0457 10.0758 10.0758 k = 0.4510 0.4510 0.3049 ( 16872 PWs) bands (ev): -40.3376 -40.3376 -40.3374 -40.3374 -22.0568 -22.0568 -22.0549 -22.0549 -6.9670 -6.9670 -6.9506 -6.9506 -6.3876 -6.3876 -6.2802 -6.2802 -6.0720 -6.0720 -5.9537 -5.9537 -5.7208 -5.7208 -5.6814 -5.6814 2.5210 2.5210 2.5862 2.5862 2.9120 2.9120 3.0103 3.0103 3.3991 3.3991 3.4075 3.4075 8.8787 8.8787 8.9367 8.9367 10.0494 10.0494 10.0918 10.0918 k = 0.4412 0.4412 0.3049 ( 16888 PWs) bands (ev): -40.3377 -40.3377 -40.3373 -40.3373 -22.0574 -22.0574 -22.0547 -22.0547 -6.9713 -6.9713 -6.9529 -6.9529 -6.4002 -6.4002 -6.2749 -6.2749 -6.0738 -6.0738 -5.9389 -5.9389 -5.7205 -5.7205 -5.6718 -5.6718 2.5035 2.5035 2.5899 2.5899 2.9025 2.9025 3.0356 3.0356 3.4039 3.4039 3.4154 3.4154 8.8584 8.8584 8.9385 8.9385 10.0540 10.0540 10.1094 10.1094 k = 0.4314 0.4314 0.3049 ( 16880 PWs) bands (ev): -40.3377 -40.3377 -40.3372 -40.3372 -22.0581 -22.0581 -22.0544 -22.0544 -6.9757 -6.9757 -6.9561 -6.9561 -6.4126 -6.4126 -6.2709 -6.2709 -6.0734 -6.0734 -5.9245 -5.9245 -5.7194 -5.7194 -5.6612 -5.6612 2.4861 2.4861 2.5942 2.5942 2.8911 2.8911 3.0620 3.0620 3.4097 3.4097 3.4248 3.4248 8.8366 8.8366 8.9405 8.9405 10.0594 10.0594 10.1277 10.1277 k = 0.4216 0.4216 0.3049 ( 16888 PWs) bands (ev): -40.3378 -40.3378 -40.3372 -40.3372 -22.0589 -22.0589 -22.0541 -22.0541 -6.9802 -6.9802 -6.9601 -6.9601 -6.4247 -6.4247 -6.2681 -6.2681 -6.0710 -6.0710 -5.9108 -5.9108 -5.7176 -5.7176 -5.6496 -5.6496 2.4696 2.4696 2.5992 2.5992 2.8779 2.8779 3.0888 3.0888 3.4163 3.4163 3.4358 3.4358 8.8141 8.8141 8.9428 8.9428 10.0655 10.0655 10.1460 10.1460 k = 0.4118 0.4118 0.3049 ( 16872 PWs) bands (ev): -40.3379 -40.3379 -40.3371 -40.3371 -22.0598 -22.0598 -22.0537 -22.0537 -6.9845 -6.9845 -6.9648 -6.9648 -6.4364 -6.4364 -6.2662 -6.2662 -6.0673 -6.0673 -5.8978 -5.8978 -5.7150 -5.7150 -5.6371 -5.6371 2.4545 2.4545 2.6049 2.6049 2.8630 2.8630 3.1155 3.1155 3.4238 3.4238 3.4486 3.4486 8.7912 8.7912 8.9453 8.9453 10.0725 10.0725 10.1635 10.1635 k = 0.4020 0.4020 0.3049 ( 16882 PWs) bands (ev): -40.3380 -40.3380 -40.3370 -40.3370 -22.0608 -22.0608 -22.0533 -22.0533 -6.9888 -6.9888 -6.9703 -6.9703 -6.4476 -6.4476 -6.2648 -6.2648 -6.0627 -6.0627 -5.8856 -5.8856 -5.7113 -5.7113 -5.6240 -5.6240 2.4411 2.4411 2.6113 2.6113 2.8463 2.8463 3.1415 3.1415 3.4322 3.4322 3.4631 3.4631 8.7686 8.7686 8.9481 8.9481 10.0801 10.0801 10.1797 10.1797 k = 0.3922 0.3922 0.3049 ( 16890 PWs) bands (ev): -40.3381 -40.3381 -40.3369 -40.3369 -22.0619 -22.0619 -22.0529 -22.0529 -6.9928 -6.9928 -6.9764 -6.9764 -6.4582 -6.4582 -6.2636 -6.2636 -6.0578 -6.0578 -5.8741 -5.8741 -5.7065 -5.7065 -5.6104 -5.6104 2.4297 2.4297 2.6182 2.6182 2.8281 2.8281 3.1666 3.1666 3.4414 3.4414 3.4792 3.4792 8.7465 8.7465 8.9510 8.9510 10.0883 10.0883 10.1942 10.1942 k = 0.3824 0.3824 0.3049 ( 16896 PWs) bands (ev): -40.3382 -40.3382 -40.3368 -40.3368 -22.0631 -22.0631 -22.0525 -22.0525 -6.9966 -6.9966 -6.9829 -6.9829 -6.4681 -6.4681 -6.2625 -6.2625 -6.0530 -6.0530 -5.8635 -5.8635 -5.7005 -5.7005 -5.5966 -5.5966 2.4206 2.4206 2.6259 2.6259 2.8084 2.8084 3.1905 3.1905 3.4515 3.4515 3.4968 3.4968 8.7252 8.7252 8.9541 8.9541 10.0971 10.0971 10.2064 10.2064 k = 0.3725 0.3725 0.3049 ( 16886 PWs) bands (ev): -40.3383 -40.3383 -40.3367 -40.3367 -22.0643 -22.0643 -22.0520 -22.0520 -7.0006 -7.0006 -6.9893 -6.9893 -6.4773 -6.4773 -6.2612 -6.2612 -6.0486 -6.0486 -5.8538 -5.8538 -5.6934 -5.6934 -5.5827 -5.5827 2.4140 2.4140 2.6342 2.6342 2.7875 2.7875 3.2130 3.2130 3.4624 3.4624 3.5160 3.5160 8.7048 8.7048 8.9571 8.9571 10.1062 10.1062 10.2161 10.2161 k = 0.3627 0.3627 0.3049 ( 16884 PWs) bands (ev): -40.3384 -40.3384 -40.3366 -40.3366 -22.0656 -22.0656 -22.0515 -22.0515 -7.0056 -7.0056 -6.9947 -6.9947 -6.4857 -6.4857 -6.2597 -6.2597 -6.0449 -6.0449 -5.8450 -5.8450 -5.6850 -5.6850 -5.5689 -5.5689 2.4099 2.4099 2.6431 2.6431 2.7655 2.7655 3.2339 3.2339 3.4741 3.4741 3.5365 3.5365 8.6853 8.6853 8.9600 8.9600 10.1155 10.1155 10.2228 10.2228 k = 0.3529 0.3529 0.3049 ( 16880 PWs) bands (ev): -40.3385 -40.3385 -40.3365 -40.3365 -22.0670 -22.0670 -22.0509 -22.0509 -7.0122 -7.0122 -6.9981 -6.9981 -6.4932 -6.4932 -6.2578 -6.2578 -6.0421 -6.0421 -5.8372 -5.8372 -5.6755 -5.6755 -5.5553 -5.5553 2.4085 2.4085 2.6526 2.6526 2.7428 2.7428 3.2532 3.2532 3.4867 3.4867 3.5582 3.5582 8.6667 8.6667 8.9625 8.9625 10.1248 10.1248 10.2264 10.2264 k = 0.3431 0.3431 0.3049 ( 16882 PWs) bands (ev): -40.3386 -40.3386 -40.3364 -40.3364 -22.0685 -22.0685 -22.0503 -22.0503 -7.0202 -7.0202 -6.9997 -6.9997 -6.5000 -6.5000 -6.2556 -6.2556 -6.0401 -6.0401 -5.8304 -5.8304 -5.6652 -5.6652 -5.5420 -5.5420 2.4096 2.4096 2.6627 2.6627 2.7196 2.7196 3.2708 3.2708 3.5000 3.5000 3.5809 3.5809 8.6489 8.6489 8.9645 8.9645 10.1339 10.1339 10.2264 10.2264 k = 0.3333 0.3333 0.3049 ( 16890 PWs) bands (ev): -40.3388 -40.3388 -40.3363 -40.3363 -22.0700 -22.0700 -22.0497 -22.0497 -7.0287 -7.0287 -7.0001 -7.0001 -6.5060 -6.5060 -6.2530 -6.2530 -6.0390 -6.0390 -5.8244 -5.8244 -5.6543 -5.6543 -5.5292 -5.5292 2.4134 2.4134 2.6733 2.6733 2.6963 2.6963 3.2869 3.2869 3.5142 3.5142 3.6044 3.6044 8.6315 8.6315 8.9656 8.9656 10.1425 10.1425 10.2227 10.2227 k = 0.3235 0.3235 0.3049 ( 16894 PWs) bands (ev): -40.3389 -40.3389 -40.3361 -40.3361 -22.0716 -22.0716 -22.0491 -22.0491 -7.0374 -7.0374 -6.9995 -6.9995 -6.5112 -6.5112 -6.2499 -6.2499 -6.0388 -6.0388 -5.8194 -5.8194 -5.6430 -5.6430 -5.5167 -5.5167 2.4198 2.4198 2.6720 2.6720 2.6855 2.6855 3.3014 3.3014 3.5291 3.5291 3.6285 3.6285 8.6144 8.6144 8.9655 8.9655 10.1504 10.1504 10.2150 10.2150 k = 0.3137 0.3137 0.3049 ( 16902 PWs) bands (ev): -40.3391 -40.3391 -40.3360 -40.3360 -22.0733 -22.0733 -22.0485 -22.0485 -7.0462 -7.0462 -6.9979 -6.9979 -6.5156 -6.5156 -6.2465 -6.2465 -6.0393 -6.0393 -5.8152 -5.8152 -5.6318 -5.6318 -5.5047 -5.5047 2.4285 2.4285 2.6492 2.6492 2.6970 2.6970 3.3145 3.3145 3.5448 3.5448 3.6529 3.6529 8.5973 8.5973 8.9636 8.9636 10.1565 10.1565 10.2039 10.2039 k = 0.3039 0.3039 0.3049 ( 16898 PWs) bands (ev): -40.3392 -40.3392 -40.3358 -40.3358 -22.0749 -22.0749 -22.0479 -22.0479 -7.0548 -7.0548 -6.9955 -6.9955 -6.5195 -6.5195 -6.2427 -6.2427 -6.0404 -6.0404 -5.8118 -5.8118 -5.6209 -5.6209 -5.4932 -5.4932 2.4394 2.4394 2.6268 2.6268 2.7094 2.7094 3.3265 3.3265 3.5612 3.5612 3.6774 3.6774 8.5799 8.5799 8.9595 8.9595 10.1572 10.1572 10.1929 10.1929 k = 0.2941 0.2941 0.3049 ( 16906 PWs) bands (ev): -40.3394 -40.3394 -40.3357 -40.3357 -22.0766 -22.0766 -22.0472 -22.0472 -7.0632 -7.0632 -6.9921 -6.9921 -6.5227 -6.5227 -6.2385 -6.2385 -6.0421 -6.0421 -5.8093 -5.8093 -5.6106 -5.6106 -5.4822 -5.4822 2.4523 2.4523 2.6053 2.6053 2.7224 2.7224 3.3377 3.3377 3.5783 3.5783 3.7018 3.7018 8.5618 8.5618 8.9524 8.9524 10.1447 10.1447 10.1901 10.1901 k = 0.2843 0.2843 0.3049 ( 16900 PWs) bands (ev): -40.3395 -40.3395 -40.3356 -40.3356 -22.0784 -22.0784 -22.0465 -22.0465 -7.0711 -7.0711 -6.9879 -6.9879 -6.5253 -6.5253 -6.2340 -6.2340 -6.0443 -6.0443 -5.8076 -5.8076 -5.6011 -5.6011 -5.4715 -5.4715 2.4668 2.4668 2.5849 2.5849 2.7358 2.7358 3.3484 3.3484 3.5961 3.5961 3.7256 3.7256 8.5429 8.5429 8.9416 8.9416 10.1205 10.1205 10.1945 10.1945 k = 0.2745 0.2745 0.3049 ( 16908 PWs) bands (ev): -40.3397 -40.3397 -40.3354 -40.3354 -22.0802 -22.0802 -22.0458 -22.0458 -7.0785 -7.0785 -6.9828 -6.9828 -6.5273 -6.5273 -6.2292 -6.2292 -6.0468 -6.0468 -5.8068 -5.8068 -5.5927 -5.5927 -5.4614 -5.4614 2.4827 2.4827 2.5661 2.5661 2.7498 2.7498 3.3589 3.3589 3.6146 3.6146 3.7487 3.7487 8.5230 8.5230 8.9264 8.9264 10.0906 10.0906 10.2010 10.2010 k = 0.2647 0.2647 0.3049 ( 16924 PWs) bands (ev): -40.3399 -40.3399 -40.3353 -40.3353 -22.0819 -22.0819 -22.0452 -22.0452 -7.0853 -7.0853 -6.9770 -6.9770 -6.5289 -6.5289 -6.2240 -6.2240 -6.0495 -6.0495 -5.8070 -5.8070 -5.5853 -5.5853 -5.4517 -5.4517 2.4993 2.4993 2.5492 2.5492 2.7642 2.7642 3.3697 3.3697 3.6337 3.6337 3.7706 3.7706 8.5018 8.5018 8.9059 8.9059 10.0577 10.0577 10.2078 10.2078 k = 0.2549 0.2549 0.3049 ( 16924 PWs) bands (ev): -40.3400 -40.3400 -40.3351 -40.3351 -22.0837 -22.0837 -22.0445 -22.0445 -7.0914 -7.0914 -6.9704 -6.9704 -6.5299 -6.5299 -6.2186 -6.2186 -6.0523 -6.0523 -5.8082 -5.8082 -5.5792 -5.5792 -5.4426 -5.4426 2.5157 2.5157 2.5349 2.5349 2.7789 2.7789 3.3813 3.3813 3.6534 3.6534 3.7911 3.7911 8.4795 8.4795 8.8793 8.8793 10.0234 10.0234 10.2137 10.2137 k = 0.2451 0.2451 0.3049 ( 16924 PWs) bands (ev): -40.3402 -40.3402 -40.3350 -40.3350 -22.0855 -22.0855 -22.0438 -22.0438 -7.0967 -7.0967 -6.9632 -6.9632 -6.5304 -6.5304 -6.2129 -6.2129 -6.0553 -6.0553 -5.8104 -5.8104 -5.5743 -5.5743 -5.4340 -5.4340 2.5191 2.5191 2.5359 2.5359 2.7941 2.7941 3.3942 3.3942 3.6736 3.6736 3.8098 3.8098 8.4560 8.4560 8.8463 8.8463 9.9889 9.9889 10.2175 10.2175 k = 0.2353 0.2353 0.3049 ( 16912 PWs) bands (ev): -40.3403 -40.3403 -40.3348 -40.3348 -22.0873 -22.0873 -22.0431 -22.0431 -7.1013 -7.1013 -6.9555 -6.9555 -6.5304 -6.5304 -6.2070 -6.2070 -6.0582 -6.0582 -5.8137 -5.8137 -5.5705 -5.5705 -5.4262 -5.4262 2.5097 2.5097 2.5516 2.5516 2.8095 2.8095 3.4088 3.4088 3.6944 3.6944 3.8264 3.8264 8.4316 8.4316 8.8064 8.8064 9.9552 9.9552 10.2167 10.2167 k = 0.2255 0.2255 0.3049 ( 16904 PWs) bands (ev): -40.3405 -40.3405 -40.3347 -40.3347 -22.0891 -22.0891 -22.0424 -22.0424 -7.1049 -7.1049 -6.9474 -6.9474 -6.5299 -6.5299 -6.2008 -6.2008 -6.0610 -6.0610 -5.8182 -5.8182 -5.5679 -5.5679 -5.4190 -5.4190 2.5022 2.5022 2.5671 2.5671 2.8252 2.8252 3.4257 3.4257 3.7156 3.7156 3.8405 3.8405 8.4065 8.4065 8.7600 8.7600 9.9229 9.9229 10.2065 10.2065 k = 0.2157 0.2157 0.3049 ( 16910 PWs) bands (ev): -40.3406 -40.3406 -40.3345 -40.3345 -22.0909 -22.0909 -22.0417 -22.0417 -7.1077 -7.1077 -6.9391 -6.9391 -6.5288 -6.5288 -6.1943 -6.1943 -6.0637 -6.0637 -5.8238 -5.8238 -5.5664 -5.5664 -5.4126 -5.4126 2.4974 2.4974 2.5813 2.5813 2.8411 2.8411 3.4451 3.4451 3.7371 3.7371 3.8517 3.8517 8.3810 8.3810 8.7073 8.7073 9.8925 9.8925 10.1798 10.1798 k = 0.2059 0.2059 0.3049 ( 16910 PWs) bands (ev): -40.3408 -40.3408 -40.3344 -40.3344 -22.0926 -22.0926 -22.0411 -22.0411 -7.1095 -7.1095 -6.9306 -6.9306 -6.5270 -6.5270 -6.1876 -6.1876 -6.0663 -6.0663 -5.8306 -5.8306 -5.5660 -5.5660 -5.4070 -5.4070 2.4956 2.4956 2.5937 2.5937 2.8571 2.8571 3.4675 3.4675 3.7589 3.7589 3.8599 3.8599 8.3555 8.3555 8.6492 8.6492 9.8644 9.8644 10.1079 10.1079 k = 0.1961 0.1961 0.3049 ( 16926 PWs) bands (ev): -40.3410 -40.3410 -40.3342 -40.3342 -22.0944 -22.0944 -22.0404 -22.0404 -7.1104 -7.1104 -6.9222 -6.9222 -6.5244 -6.5244 -6.1807 -6.1807 -6.0687 -6.0687 -5.8385 -5.8385 -5.5666 -5.5666 -5.4022 -5.4022 2.4969 2.4969 2.6041 2.6041 2.8732 2.8732 3.4930 3.4930 3.7809 3.7809 3.8648 3.8648 8.3304 8.3304 8.5867 8.5867 9.8388 9.8388 10.0143 10.0143 k = 0.1863 0.1863 0.3049 ( 16930 PWs) bands (ev): -40.3411 -40.3411 -40.3341 -40.3341 -22.0960 -22.0960 -22.0398 -22.0398 -7.1103 -7.1103 -6.9141 -6.9141 -6.5210 -6.5210 -6.1735 -6.1735 -6.0709 -6.0709 -5.8475 -5.8475 -5.5683 -5.5683 -5.3982 -5.3982 2.5014 2.5014 2.6122 2.6122 2.8893 2.8893 3.5216 3.5216 3.8029 3.8029 3.8662 3.8662 8.3061 8.3061 8.5208 8.5208 9.8158 9.8158 9.9227 9.9227 k = 0.1765 0.1765 0.3049 ( 16922 PWs) bands (ev): -40.3413 -40.3413 -40.3339 -40.3339 -22.0977 -22.0977 -22.0392 -22.0392 -7.1093 -7.1093 -6.9064 -6.9064 -6.5167 -6.5167 -6.1661 -6.1661 -6.0729 -6.0729 -5.8575 -5.8575 -5.5711 -5.5711 -5.3948 -5.3948 2.5093 2.5093 2.6181 2.6181 2.9053 2.9053 3.5531 3.5531 3.8241 3.8241 3.8645 3.8645 8.2831 8.2831 8.4526 8.4526 9.7953 9.7953 9.8340 9.8340 k = 0.1667 0.1667 0.3049 ( 16934 PWs) bands (ev): -40.3414 -40.3414 -40.3338 -40.3338 -22.0993 -22.0993 -22.0386 -22.0386 -7.1074 -7.1074 -6.8993 -6.8993 -6.5113 -6.5113 -6.1584 -6.1584 -6.0747 -6.0747 -5.8684 -5.8684 -5.5751 -5.5751 -5.3921 -5.3921 2.5204 2.5204 2.6219 2.6219 2.9211 2.9211 3.5874 3.5874 3.8405 3.8405 3.8635 3.8635 8.2615 8.2615 8.3831 8.3831 9.7483 9.7483 9.7772 9.7772 k = 0.1569 0.1569 0.3049 ( 16936 PWs) bands (ev): -40.3415 -40.3415 -40.3337 -40.3337 -22.1008 -22.1008 -22.0380 -22.0380 -7.1045 -7.1045 -6.8931 -6.8931 -6.5048 -6.5048 -6.1505 -6.1505 -6.0764 -6.0764 -5.8801 -5.8801 -5.5802 -5.5802 -5.3899 -5.3899 2.5349 2.5349 2.6237 2.6237 2.9367 2.9367 3.6240 3.6240 3.8388 3.8388 3.8765 3.8765 8.2418 8.2418 8.3134 8.3134 9.6661 9.6661 9.7593 9.7593 k = 0.1471 0.1471 0.3049 ( 16926 PWs) bands (ev): -40.3417 -40.3417 -40.3336 -40.3336 -22.1023 -22.1023 -22.0374 -22.0374 -7.1007 -7.1007 -6.8878 -6.8878 -6.4972 -6.4972 -6.1423 -6.1423 -6.0778 -6.0778 -5.8924 -5.8924 -5.5867 -5.5867 -5.3881 -5.3881 2.5526 2.5526 2.6239 2.6239 2.9520 2.9520 3.6623 3.6623 3.8252 3.8252 3.8969 3.8969 8.2236 8.2236 8.2447 8.2447 9.5876 9.5876 9.7096 9.7096 k = 0.1373 0.1373 0.3049 ( 16922 PWs) bands (ev): -40.3418 -40.3418 -40.3334 -40.3334 -22.1037 -22.1037 -22.0369 -22.0369 -7.0961 -7.0961 -6.8837 -6.8837 -6.4885 -6.4885 -6.1339 -6.1339 -6.0791 -6.0791 -5.9052 -5.9052 -5.5944 -5.5944 -5.3867 -5.3867 2.5731 2.5731 2.6231 2.6231 2.9668 2.9668 3.7016 3.7016 3.8063 3.8063 3.9183 3.9183 8.1756 8.1756 8.2092 8.2092 9.5130 9.5130 9.6432 9.6432 k = 0.1275 0.1275 0.3049 ( 16940 PWs) bands (ev): -40.3419 -40.3419 -40.3333 -40.3333 -22.1050 -22.1050 -22.0364 -22.0364 -7.0907 -7.0907 -6.8808 -6.8808 -6.4786 -6.4786 -6.1253 -6.1253 -6.0803 -6.0803 -5.9183 -5.9183 -5.6034 -5.6034 -5.3854 -5.3854 2.5943 2.5943 2.6236 2.6236 2.9812 2.9812 3.7401 3.7401 3.7843 3.7843 3.9396 3.9396 8.1100 8.1100 8.1956 8.1956 9.4425 9.4425 9.5790 9.5790 k = 0.1176 0.1176 0.3049 ( 16938 PWs) bands (ev): -40.3420 -40.3420 -40.3332 -40.3332 -22.1062 -22.1062 -22.0360 -22.0360 -7.0846 -7.0846 -6.8791 -6.8791 -6.4677 -6.4677 -6.1166 -6.1166 -6.0812 -6.0812 -5.9314 -5.9314 -5.6136 -5.6136 -5.3844 -5.3844 2.6060 2.6060 2.6360 2.6360 2.9949 2.9949 3.7491 3.7491 3.7877 3.7877 3.9606 3.9606 8.0467 8.0467 8.1842 8.1842 9.3763 9.3763 9.5182 9.5182 k = 0.1078 0.1078 0.3049 ( 16958 PWs) bands (ev): -40.3421 -40.3421 -40.3331 -40.3331 -22.1074 -22.1074 -22.0355 -22.0355 -7.0778 -7.0778 -6.8788 -6.8788 -6.4559 -6.4559 -6.1083 -6.1083 -6.0815 -6.0815 -5.9444 -5.9444 -5.6251 -5.6251 -5.3834 -5.3834 2.6051 2.6051 2.6633 2.6633 3.0080 3.0080 3.7197 3.7197 3.8251 3.8251 3.9810 3.9810 7.9866 7.9866 8.1749 8.1749 9.3147 9.3147 9.4611 9.4611 k = 0.0980 0.0980 0.3049 ( 16962 PWs) bands (ev): -40.3422 -40.3422 -40.3330 -40.3330 -22.1085 -22.1085 -22.0351 -22.0351 -7.0704 -7.0704 -6.8796 -6.8796 -6.4435 -6.4435 -6.1011 -6.1011 -6.0805 -6.0805 -5.9571 -5.9571 -5.6376 -5.6376 -5.3824 -5.3824 2.6010 2.6010 2.6963 2.6963 3.0204 3.0204 3.6845 3.6845 3.8631 3.8631 4.0008 4.0008 7.9300 7.9300 8.1674 8.1674 9.2578 9.2578 9.4081 9.4081 k = 0.0882 0.0882 0.3049 ( 16954 PWs) bands (ev): -40.3423 -40.3423 -40.3329 -40.3329 -22.1095 -22.1095 -22.0347 -22.0347 -7.0625 -7.0625 -6.8816 -6.8816 -6.4306 -6.4306 -6.0972 -6.0972 -6.0764 -6.0764 -5.9691 -5.9691 -5.6509 -5.6509 -5.3815 -5.3815 2.5961 2.5961 2.7327 2.7327 3.0319 3.0319 3.6458 3.6458 3.8995 3.8995 4.0198 4.0198 7.8775 7.8775 8.1616 8.1616 9.2058 9.2058 9.3593 9.3593 k = 0.0784 0.0784 0.3049 ( 16954 PWs) bands (ev): -40.3424 -40.3424 -40.3329 -40.3329 -22.1104 -22.1104 -22.0344 -22.0344 -7.0542 -7.0542 -6.8847 -6.8847 -6.4175 -6.4175 -6.0967 -6.0967 -6.0688 -6.0688 -5.9803 -5.9803 -5.6649 -5.6649 -5.3807 -5.3807 2.5910 2.5910 2.7717 2.7717 3.0425 3.0425 3.6040 3.6040 3.9333 3.9333 4.0379 4.0379 7.8294 7.8294 8.1571 8.1571 9.1588 9.1588 9.3150 9.3150 k = 0.0686 0.0686 0.3049 ( 16946 PWs) bands (ev): -40.3425 -40.3425 -40.3328 -40.3328 -22.1112 -22.1112 -22.0341 -22.0341 -7.0457 -7.0457 -6.8886 -6.8886 -6.4047 -6.4047 -6.0983 -6.0983 -6.0596 -6.0596 -5.9904 -5.9904 -5.6792 -5.6792 -5.3798 -5.3798 2.5860 2.5860 2.8131 2.8131 3.0522 3.0522 3.5598 3.5598 3.9639 3.9639 4.0551 4.0551 7.7862 7.7862 8.1539 8.1539 9.1170 9.1170 9.2754 9.2754 k = 0.0588 0.0588 0.3049 ( 16954 PWs) bands (ev): -40.3425 -40.3425 -40.3327 -40.3327 -22.1119 -22.1119 -22.0338 -22.0338 -7.0372 -7.0372 -6.8932 -6.8932 -6.3923 -6.3923 -6.1009 -6.1009 -6.0497 -6.0497 -5.9991 -5.9991 -5.6934 -5.6934 -5.3791 -5.3791 2.5813 2.5813 2.8563 2.8563 3.0609 3.0609 3.5135 3.5135 3.9906 3.9906 4.0714 4.0714 7.7480 7.7480 8.1516 8.1516 9.0805 9.0805 9.2406 9.2406 k = 0.0490 0.0490 0.3049 ( 16954 PWs) bands (ev): -40.3426 -40.3426 -40.3327 -40.3327 -22.1125 -22.1125 -22.0336 -22.0336 -7.0288 -7.0288 -6.8984 -6.8984 -6.3808 -6.3808 -6.1042 -6.1042 -6.0400 -6.0400 -6.0064 -6.0064 -5.7070 -5.7070 -5.3784 -5.3784 2.5771 2.5771 2.9007 2.9007 3.0687 3.0687 3.4660 3.4660 4.0130 4.0130 4.0864 4.0864 7.7152 7.7152 8.1501 8.1501 9.0494 9.0494 9.2109 9.2109 k = 0.0392 0.0392 0.3049 ( 16970 PWs) bands (ev): -40.3426 -40.3426 -40.3327 -40.3327 -22.1130 -22.1130 -22.0334 -22.0334 -7.0208 -7.0208 -6.9037 -6.9037 -6.3707 -6.3707 -6.1077 -6.1077 -6.0309 -6.0309 -6.0122 -6.0122 -5.7196 -5.7196 -5.3777 -5.3777 2.5735 2.5735 2.9454 2.9454 3.0757 3.0757 3.4180 3.4180 4.0309 4.0309 4.1000 4.1000 7.6880 7.6880 8.1491 8.1491 9.0239 9.0239 9.1864 9.1864 k = 0.0294 0.0294 0.3049 ( 16974 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1134 -22.1134 -22.0333 -22.0333 -7.0137 -7.0137 -6.9087 -6.9087 -6.3622 -6.3622 -6.1111 -6.1111 -6.0234 -6.0234 -6.0161 -6.0161 -5.7304 -5.7304 -5.3773 -5.3773 2.5706 2.5706 2.9885 2.9885 3.0824 3.0824 3.3709 3.3709 4.0444 4.0444 4.1114 4.1114 7.6667 7.6667 8.1485 8.1485 9.0039 9.0039 9.1672 9.1672 k = 0.0196 0.0196 0.3049 ( 16966 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1137 -22.1137 -22.0332 -22.0332 -7.0079 -7.0079 -6.9130 -6.9130 -6.3557 -6.3557 -6.1139 -6.1139 -6.0212 -6.0212 -6.0150 -6.0150 -5.7388 -5.7388 -5.3769 -5.3769 2.5685 2.5685 3.0260 3.0260 3.0906 3.0906 3.3272 3.3272 4.0538 4.0538 4.1201 4.1201 7.6514 7.6514 8.1482 8.1482 8.9896 8.9896 9.1534 9.1534 k = 0.0098 0.0098 0.3049 ( 16972 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1138 -22.1138 -22.0331 -22.0331 -7.0041 -7.0041 -6.9160 -6.9160 -6.3517 -6.3517 -6.1157 -6.1157 -6.0224 -6.0224 -6.0115 -6.0115 -5.7442 -5.7442 -5.3767 -5.3767 2.5672 2.5672 3.0502 3.0502 3.1023 3.1023 3.2925 3.2925 4.0593 4.0593 4.1256 4.1256 7.6421 7.6421 8.1481 8.1481 8.9810 8.9810 9.1451 9.1451 k = 0.0000 0.0000 0.3049 ( 16980 PWs) bands (ev): -40.3427 -40.3427 -40.3326 -40.3326 -22.1139 -22.1139 -22.0331 -22.0331 -7.0027 -7.0027 -6.9171 -6.9171 -6.3504 -6.3504 -6.1164 -6.1164 -6.0229 -6.0229 -6.0102 -6.0102 -5.7461 -5.7461 -5.3766 -5.3766 2.5668 2.5668 3.0575 3.0575 3.1099 3.1099 3.2780 3.2780 4.0611 4.0611 4.1275 4.1275 7.6390 7.6390 8.1480 8.1480 8.9781 8.9781 9.1423 9.1423 k = 0.0000 0.5000-0.0000 ( 16900 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.0993 -7.0993 -7.0993 -7.0993 -6.3898 -6.3898 -6.3898 -6.3898 -5.9082 -5.9082 -5.9082 -5.9082 -5.4235 -5.4235 -5.4235 -5.4235 2.3982 2.3982 2.3982 2.3982 3.4674 3.4674 3.4674 3.4674 3.6109 3.6109 3.6109 3.6109 8.4354 8.4354 8.4354 8.4354 9.6565 9.6565 9.6565 9.6565 k = 0.0000 0.5000 0.0139 ( 16898 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.0996 -7.0996 -7.0996 -7.0996 -6.3896 -6.3896 -6.3896 -6.3896 -5.9078 -5.9078 -5.9078 -5.9078 -5.4235 -5.4235 -5.4235 -5.4235 2.3970 2.3970 2.3970 2.3970 3.4673 3.4673 3.4673 3.4673 3.6111 3.6111 3.6111 3.6111 8.4348 8.4348 8.4348 8.4348 9.6599 9.6599 9.6599 9.6599 k = 0.0000 0.5000 0.0277 ( 16902 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1006 -7.1006 -7.1006 -7.1006 -6.3892 -6.3892 -6.3892 -6.3892 -5.9068 -5.9068 -5.9068 -5.9068 -5.4234 -5.4234 -5.4234 -5.4234 2.3935 2.3935 2.3935 2.3935 3.4670 3.4670 3.4670 3.4670 3.6118 3.6118 3.6118 3.6118 8.4331 8.4331 8.4331 8.4331 9.6696 9.6696 9.6696 9.6696 k = 0.0000 0.5000 0.0416 ( 16910 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1022 -7.1022 -7.1022 -7.1022 -6.3885 -6.3885 -6.3885 -6.3885 -5.9052 -5.9052 -5.9052 -5.9052 -5.4233 -5.4233 -5.4233 -5.4233 2.3878 2.3878 2.3878 2.3878 3.4664 3.4664 3.4664 3.4664 3.6130 3.6130 3.6130 3.6130 8.4306 8.4306 8.4306 8.4306 9.6832 9.6832 9.6832 9.6832 k = 0.0000 0.5000 0.0554 ( 16920 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1044 -7.1044 -7.1044 -7.1044 -6.3876 -6.3876 -6.3876 -6.3876 -5.9030 -5.9030 -5.9030 -5.9030 -5.4232 -5.4232 -5.4232 -5.4232 2.3800 2.3800 2.3800 2.3800 3.4657 3.4657 3.4657 3.4657 3.6146 3.6146 3.6146 3.6146 8.4276 8.4276 8.4276 8.4276 9.6974 9.6974 9.6974 9.6974 k = 0.0000 0.5000 0.0693 ( 16932 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1071 -7.1071 -7.1071 -7.1071 -6.3864 -6.3864 -6.3864 -6.3864 -5.9003 -5.9003 -5.9003 -5.9003 -5.4230 -5.4230 -5.4230 -5.4230 2.3704 2.3704 2.3704 2.3704 3.4649 3.4649 3.4649 3.4649 3.6165 3.6165 3.6165 3.6165 8.4245 8.4245 8.4245 8.4245 9.7088 9.7088 9.7088 9.7088 k = 0.0000 0.5000 0.0832 ( 16896 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1103 -7.1103 -7.1103 -7.1103 -6.3850 -6.3850 -6.3850 -6.3850 -5.8970 -5.8970 -5.8970 -5.8970 -5.4228 -5.4228 -5.4228 -5.4228 2.3590 2.3590 2.3590 2.3590 3.4638 3.4638 3.4638 3.4638 3.6186 3.6186 3.6186 3.6186 8.4217 8.4217 8.4217 8.4217 9.7149 9.7149 9.7149 9.7149 k = 0.0000 0.5000 0.0970 ( 16896 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1139 -7.1139 -7.1139 -7.1139 -6.3835 -6.3835 -6.3835 -6.3835 -5.8933 -5.8933 -5.8933 -5.8933 -5.4225 -5.4225 -5.4225 -5.4225 2.3463 2.3463 2.3463 2.3463 3.4626 3.4626 3.4626 3.4626 3.6210 3.6210 3.6210 3.6210 8.4197 8.4197 8.4197 8.4197 9.7155 9.7155 9.7155 9.7155 k = 0.0000 0.5000 0.1109 ( 16920 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1177 -7.1177 -7.1177 -7.1177 -6.3819 -6.3819 -6.3819 -6.3819 -5.8893 -5.8893 -5.8893 -5.8893 -5.4222 -5.4222 -5.4222 -5.4222 2.3325 2.3325 2.3325 2.3325 3.4613 3.4613 3.4613 3.4613 3.6235 3.6235 3.6235 3.6235 8.4186 8.4186 8.4186 8.4186 9.7114 9.7114 9.7114 9.7114 k = 0.0000 0.5000 0.1247 ( 16920 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1218 -7.1218 -7.1218 -7.1218 -6.3803 -6.3803 -6.3803 -6.3803 -5.8849 -5.8849 -5.8849 -5.8849 -5.4219 -5.4219 -5.4219 -5.4219 2.3179 2.3179 2.3179 2.3179 3.4599 3.4599 3.4599 3.4599 3.6261 3.6261 3.6261 3.6261 8.4188 8.4188 8.4188 8.4188 9.7037 9.7037 9.7037 9.7037 k = 0.0000 0.5000 0.1386 ( 16908 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1260 -7.1260 -7.1260 -7.1260 -6.3786 -6.3786 -6.3786 -6.3786 -5.8804 -5.8804 -5.8804 -5.8804 -5.4215 -5.4215 -5.4215 -5.4215 2.3028 2.3028 2.3028 2.3028 3.4584 3.4584 3.4584 3.4584 3.6287 3.6287 3.6287 3.6287 8.4202 8.4202 8.4202 8.4202 9.6933 9.6933 9.6933 9.6933 k = 0.0000 0.5000 0.1524 ( 16922 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1303 -7.1303 -7.1303 -7.1303 -6.3769 -6.3769 -6.3769 -6.3769 -5.8758 -5.8758 -5.8758 -5.8758 -5.4212 -5.4212 -5.4212 -5.4212 2.2875 2.2875 2.2875 2.2875 3.4569 3.4569 3.4569 3.4569 3.6311 3.6311 3.6311 3.6311 8.4229 8.4229 8.4229 8.4229 9.6809 9.6809 9.6809 9.6809 k = 0.0000 0.5000 0.1663 ( 16932 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1345 -7.1345 -7.1345 -7.1345 -6.3753 -6.3753 -6.3753 -6.3753 -5.8713 -5.8713 -5.8713 -5.8713 -5.4208 -5.4208 -5.4208 -5.4208 2.2724 2.2724 2.2724 2.2724 3.4554 3.4554 3.4554 3.4554 3.6335 3.6335 3.6335 3.6335 8.4269 8.4269 8.4269 8.4269 9.6673 9.6673 9.6673 9.6673 k = 0.0000 0.5000 0.1802 ( 16932 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1386 -7.1386 -7.1386 -7.1386 -6.3738 -6.3738 -6.3738 -6.3738 -5.8668 -5.8668 -5.8668 -5.8668 -5.4204 -5.4204 -5.4204 -5.4204 2.2578 2.2578 2.2578 2.2578 3.4540 3.4540 3.4540 3.4540 3.6357 3.6357 3.6357 3.6357 8.4319 8.4319 8.4319 8.4319 9.6530 9.6530 9.6530 9.6530 k = 0.0000 0.5000 0.1940 ( 16936 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1425 -7.1425 -7.1425 -7.1425 -6.3723 -6.3723 -6.3723 -6.3723 -5.8624 -5.8624 -5.8624 -5.8624 -5.4201 -5.4201 -5.4201 -5.4201 2.2439 2.2439 2.2439 2.2439 3.4526 3.4526 3.4526 3.4526 3.6377 3.6377 3.6377 3.6377 8.4376 8.4376 8.4376 8.4376 9.6385 9.6385 9.6385 9.6385 k = 0.0000 0.5000 0.2079 ( 16948 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1461 -7.1461 -7.1461 -7.1461 -6.3710 -6.3710 -6.3710 -6.3710 -5.8584 -5.8584 -5.8584 -5.8584 -5.4198 -5.4198 -5.4198 -5.4198 2.2310 2.2310 2.2310 2.2310 3.4512 3.4512 3.4512 3.4512 3.6395 3.6395 3.6395 3.6395 8.4439 8.4439 8.4439 8.4439 9.6242 9.6242 9.6242 9.6242 k = 0.0000 0.5000 0.2217 ( 16944 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1493 -7.1493 -7.1493 -7.1493 -6.3698 -6.3698 -6.3698 -6.3698 -5.8547 -5.8547 -5.8547 -5.8547 -5.4194 -5.4194 -5.4194 -5.4194 2.2193 2.2193 2.2193 2.2193 3.4500 3.4500 3.4500 3.4500 3.6411 3.6411 3.6411 3.6411 8.4504 8.4504 8.4504 8.4504 9.6107 9.6107 9.6107 9.6107 k = 0.0000 0.5000 0.2356 ( 16934 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1522 -7.1522 -7.1522 -7.1522 -6.3688 -6.3688 -6.3688 -6.3688 -5.8515 -5.8515 -5.8515 -5.8515 -5.4192 -5.4192 -5.4192 -5.4192 2.2090 2.2090 2.2090 2.2090 3.4490 3.4490 3.4490 3.4490 3.6424 3.6424 3.6424 3.6424 8.4566 8.4566 8.4566 8.4566 9.5983 9.5983 9.5983 9.5983 k = 0.0000 0.5000 0.2495 ( 16934 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1546 -7.1546 -7.1546 -7.1546 -6.3680 -6.3680 -6.3680 -6.3680 -5.8488 -5.8488 -5.8488 -5.8488 -5.4189 -5.4189 -5.4189 -5.4189 2.2003 2.2003 2.2003 2.2003 3.4481 3.4481 3.4481 3.4481 3.6435 3.6435 3.6435 3.6435 8.4624 8.4624 8.4624 8.4624 9.5876 9.5876 9.5876 9.5876 k = 0.0000 0.5000 0.2633 ( 16926 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1565 -7.1565 -7.1565 -7.1565 -6.3673 -6.3673 -6.3673 -6.3673 -5.8466 -5.8466 -5.8466 -5.8466 -5.4187 -5.4187 -5.4187 -5.4187 2.1934 2.1934 2.1934 2.1934 3.4473 3.4473 3.4473 3.4473 3.6444 3.6444 3.6444 3.6444 8.4672 8.4672 8.4672 8.4672 9.5787 9.5787 9.5787 9.5787 k = 0.0000 0.5000 0.2772 ( 16922 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1579 -7.1579 -7.1579 -7.1579 -6.3668 -6.3668 -6.3668 -6.3668 -5.8450 -5.8450 -5.8450 -5.8450 -5.4186 -5.4186 -5.4186 -5.4186 2.1884 2.1884 2.1884 2.1884 3.4468 3.4468 3.4468 3.4468 3.6450 3.6450 3.6450 3.6450 8.4710 8.4710 8.4710 8.4710 9.5722 9.5722 9.5722 9.5722 k = 0.0000 0.5000 0.2910 ( 16918 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1587 -7.1587 -7.1587 -7.1587 -6.3666 -6.3666 -6.3666 -6.3666 -5.8440 -5.8440 -5.8440 -5.8440 -5.4185 -5.4185 -5.4185 -5.4185 2.1854 2.1854 2.1854 2.1854 3.4465 3.4465 3.4465 3.4465 3.6454 3.6454 3.6454 3.6454 8.4733 8.4733 8.4733 8.4733 9.5682 9.5682 9.5682 9.5682 k = 0.0000 0.5000 0.3049 ( 16900 PWs) bands (ev): -40.3376 -40.3376 -40.3376 -40.3376 -22.0643 -22.0643 -22.0643 -22.0643 -7.1590 -7.1590 -7.1590 -7.1590 -6.3665 -6.3665 -6.3665 -6.3665 -5.8437 -5.8437 -5.8437 -5.8437 -5.4185 -5.4185 -5.4185 -5.4185 2.1844 2.1844 2.1844 2.1844 3.4464 3.4464 3.4464 3.4464 3.6455 3.6455 3.6455 3.6455 8.4741 8.4741 8.4741 8.4741 9.5668 9.5668 9.5668 9.5668 k = 0.5000 0.5000-0.0000 ( 16832 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9298 -6.9298 -6.9298 -6.9298 -6.1689 -6.1689 -6.1689 -6.1689 -6.0586 -6.0586 -6.0586 -6.0586 -5.8979 -5.8979 -5.8979 -5.8979 2.6425 2.6425 2.6425 2.6425 3.2275 3.2275 3.2275 3.2275 3.3198 3.3198 3.3198 3.3198 8.5694 8.5694 8.5694 8.5694 8.7126 8.7126 8.7126 8.7126 k = 0.5000 0.5000 0.0139 ( 16832 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9299 -6.9299 -6.9299 -6.9299 -6.1706 -6.1706 -6.1706 -6.1706 -6.0577 -6.0577 -6.0577 -6.0577 -5.8967 -5.8967 -5.8967 -5.8967 2.6421 2.6421 2.6421 2.6421 3.2262 3.2262 3.2262 3.2262 3.3199 3.3199 3.3199 3.3199 8.5745 8.5745 8.5745 8.5745 8.7135 8.7135 8.7135 8.7135 k = 0.5000 0.5000 0.0277 ( 16848 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9302 -6.9302 -6.9302 -6.9302 -6.1757 -6.1757 -6.1757 -6.1757 -6.0553 -6.0553 -6.0553 -6.0553 -5.8931 -5.8931 -5.8931 -5.8931 2.6410 2.6410 2.6410 2.6410 3.2222 3.2222 3.2222 3.2222 3.3202 3.3202 3.3202 3.3202 8.5898 8.5898 8.5898 8.5898 8.7164 8.7164 8.7164 8.7164 k = 0.5000 0.5000 0.0416 ( 16856 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9307 -6.9307 -6.9307 -6.9307 -6.1833 -6.1833 -6.1833 -6.1833 -6.0520 -6.0520 -6.0520 -6.0520 -5.8874 -5.8874 -5.8874 -5.8874 2.6392 2.6392 2.6392 2.6392 3.2154 3.2154 3.2154 3.2154 3.3210 3.3210 3.3210 3.3210 8.6151 8.6151 8.6151 8.6151 8.7213 8.7213 8.7213 8.7213 k = 0.5000 0.5000 0.0554 ( 16828 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9314 -6.9314 -6.9314 -6.9314 -6.1928 -6.1928 -6.1928 -6.1928 -6.0483 -6.0483 -6.0483 -6.0483 -5.8796 -5.8796 -5.8796 -5.8796 2.6367 2.6367 2.6367 2.6367 3.2058 3.2058 3.2058 3.2058 3.3224 3.3224 3.3224 3.3224 8.6499 8.6499 8.6499 8.6499 8.7282 8.7282 8.7282 8.7282 k = 0.5000 0.5000 0.0693 ( 16840 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9323 -6.9323 -6.9323 -6.9323 -6.2035 -6.2035 -6.2035 -6.2035 -6.0448 -6.0448 -6.0448 -6.0448 -5.8700 -5.8700 -5.8700 -5.8700 2.6337 2.6337 2.6337 2.6337 3.1934 3.1934 3.1934 3.1934 3.3246 3.3246 3.3246 3.3246 8.6932 8.6932 8.6932 8.6932 8.7376 8.7376 8.7376 8.7376 k = 0.5000 0.5000 0.0832 ( 16848 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9333 -6.9333 -6.9333 -6.9333 -6.2147 -6.2147 -6.2147 -6.2147 -6.0415 -6.0415 -6.0415 -6.0415 -5.8591 -5.8591 -5.8591 -5.8591 2.6301 2.6301 2.6301 2.6301 3.1785 3.1785 3.1785 3.1785 3.3276 3.3276 3.3276 3.3276 8.7360 8.7360 8.7360 8.7360 8.7583 8.7583 8.7583 8.7583 k = 0.5000 0.5000 0.0970 ( 16864 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9345 -6.9345 -6.9345 -6.9345 -6.2262 -6.2262 -6.2262 -6.2262 -6.0388 -6.0388 -6.0388 -6.0388 -5.8470 -5.8470 -5.8470 -5.8470 2.6261 2.6261 2.6261 2.6261 3.1614 3.1614 3.1614 3.1614 3.3314 3.3314 3.3314 3.3314 8.7538 8.7538 8.7538 8.7538 8.8138 8.8138 8.8138 8.8138 k = 0.5000 0.5000 0.1109 ( 16880 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9358 -6.9358 -6.9358 -6.9358 -6.2377 -6.2377 -6.2377 -6.2377 -6.0364 -6.0364 -6.0364 -6.0364 -5.8342 -5.8342 -5.8342 -5.8342 2.6218 2.6218 2.6218 2.6218 3.1425 3.1425 3.1425 3.1425 3.3359 3.3359 3.3359 3.3359 8.7674 8.7674 8.7674 8.7674 8.8827 8.8827 8.8827 8.8827 k = 0.5000 0.5000 0.1247 ( 16872 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9371 -6.9371 -6.9371 -6.9371 -6.2488 -6.2488 -6.2488 -6.2488 -6.0345 -6.0345 -6.0345 -6.0345 -5.8210 -5.8210 -5.8210 -5.8210 2.6173 2.6173 2.6173 2.6173 3.1223 3.1223 3.1223 3.1223 3.3408 3.3408 3.3408 3.3408 8.7815 8.7815 8.7815 8.7815 8.9594 8.9594 8.9594 8.9594 k = 0.5000 0.5000 0.1386 ( 16852 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9386 -6.9386 -6.9386 -6.9386 -6.2595 -6.2595 -6.2595 -6.2595 -6.0330 -6.0330 -6.0330 -6.0330 -5.8078 -5.8078 -5.8078 -5.8078 2.6127 2.6127 2.6127 2.6127 3.1013 3.1013 3.1013 3.1013 3.3460 3.3460 3.3460 3.3460 8.7964 8.7964 8.7964 8.7964 9.0427 9.0427 9.0427 9.0427 k = 0.5000 0.5000 0.1524 ( 16840 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9401 -6.9401 -6.9401 -6.9401 -6.2697 -6.2697 -6.2697 -6.2697 -6.0318 -6.0318 -6.0318 -6.0318 -5.7946 -5.7946 -5.7946 -5.7946 2.6080 2.6080 2.6080 2.6080 3.0799 3.0799 3.0799 3.0799 3.3514 3.3514 3.3514 3.3514 8.8119 8.8119 8.8119 8.8119 9.1317 9.1317 9.1317 9.1317 k = 0.5000 0.5000 0.1663 ( 16840 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9416 -6.9416 -6.9416 -6.9416 -6.2791 -6.2791 -6.2791 -6.2791 -6.0308 -6.0308 -6.0308 -6.0308 -5.7820 -5.7820 -5.7820 -5.7820 2.6034 2.6034 2.6034 2.6034 3.0588 3.0588 3.0588 3.0588 3.3568 3.3568 3.3568 3.3568 8.8277 8.8277 8.8277 8.8277 9.2255 9.2255 9.2255 9.2255 k = 0.5000 0.5000 0.1802 ( 16868 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9431 -6.9431 -6.9431 -6.9431 -6.2878 -6.2878 -6.2878 -6.2878 -6.0301 -6.0301 -6.0301 -6.0301 -5.7699 -5.7699 -5.7699 -5.7699 2.5990 2.5990 2.5990 2.5990 3.0382 3.0382 3.0382 3.0382 3.3622 3.3622 3.3622 3.3622 8.8436 8.8436 8.8436 8.8436 9.3231 9.3231 9.3231 9.3231 k = 0.5000 0.5000 0.1940 ( 16844 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9445 -6.9445 -6.9445 -6.9445 -6.2957 -6.2957 -6.2957 -6.2957 -6.0295 -6.0295 -6.0295 -6.0295 -5.7586 -5.7586 -5.7586 -5.7586 2.5948 2.5948 2.5948 2.5948 3.0186 3.0186 3.0186 3.0186 3.3673 3.3673 3.3673 3.3673 8.8592 8.8592 8.8592 8.8592 9.4235 9.4235 9.4235 9.4235 k = 0.5000 0.5000 0.2079 ( 16836 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9458 -6.9458 -6.9458 -6.9458 -6.3027 -6.3027 -6.3027 -6.3027 -6.0290 -6.0290 -6.0290 -6.0290 -5.7483 -5.7483 -5.7483 -5.7483 2.5909 2.5909 2.5909 2.5909 3.0005 3.0005 3.0005 3.0005 3.3720 3.3720 3.3720 3.3720 8.8742 8.8742 8.8742 8.8742 9.5254 9.5254 9.5254 9.5254 k = 0.5000 0.5000 0.2217 ( 16844 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9471 -6.9471 -6.9471 -6.9471 -6.3088 -6.3088 -6.3088 -6.3088 -6.0287 -6.0287 -6.0287 -6.0287 -5.7391 -5.7391 -5.7391 -5.7391 2.5874 2.5874 2.5874 2.5874 2.9840 2.9840 2.9840 2.9840 3.3764 3.3764 3.3764 3.3764 8.8882 8.8882 8.8882 8.8882 9.6271 9.6271 9.6271 9.6271 k = 0.5000 0.5000 0.2356 ( 16840 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9482 -6.9482 -6.9482 -6.9482 -6.3141 -6.3141 -6.3141 -6.3141 -6.0284 -6.0284 -6.0284 -6.0284 -5.7311 -5.7311 -5.7311 -5.7311 2.5844 2.5844 2.5844 2.5844 2.9696 2.9696 2.9696 2.9696 3.3802 3.3802 3.3802 3.3802 8.9009 8.9009 8.9009 8.9009 9.7266 9.7266 9.7266 9.7266 k = 0.5000 0.5000 0.2495 ( 16836 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9491 -6.9491 -6.9491 -6.9491 -6.3184 -6.3184 -6.3184 -6.3184 -6.0282 -6.0282 -6.0282 -6.0282 -5.7244 -5.7244 -5.7244 -5.7244 2.5818 2.5818 2.5818 2.5818 2.9574 2.9574 2.9574 2.9574 3.3834 3.3834 3.3834 3.3834 8.9119 8.9119 8.9119 8.9119 9.8211 9.8211 9.8211 9.8211 k = 0.5000 0.5000 0.2633 ( 16852 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9498 -6.9498 -6.9498 -6.9498 -6.3217 -6.3217 -6.3217 -6.3217 -6.0281 -6.0281 -6.0281 -6.0281 -5.7191 -5.7191 -5.7191 -5.7191 2.5798 2.5798 2.5798 2.5798 2.9478 2.9478 2.9478 2.9478 3.3860 3.3860 3.3860 3.3860 8.9208 8.9208 8.9208 8.9208 9.9064 9.9064 9.9064 9.9064 k = 0.5000 0.5000 0.2772 ( 16852 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9504 -6.9504 -6.9504 -6.9504 -6.3241 -6.3241 -6.3241 -6.3241 -6.0280 -6.0280 -6.0280 -6.0280 -5.7153 -5.7153 -5.7153 -5.7153 2.5783 2.5783 2.5783 2.5783 2.9408 2.9408 2.9408 2.9408 3.3878 3.3878 3.3878 3.3878 8.9273 8.9273 8.9273 8.9273 9.9767 9.9767 9.9767 9.9767 k = 0.5000 0.5000 0.2910 ( 16880 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9507 -6.9507 -6.9507 -6.9507 -6.3255 -6.3255 -6.3255 -6.3255 -6.0280 -6.0280 -6.0280 -6.0280 -5.7130 -5.7130 -5.7130 -5.7130 2.5774 2.5774 2.5774 2.5774 2.9365 2.9365 2.9365 2.9365 3.3890 3.3890 3.3890 3.3890 8.9314 8.9314 8.9314 8.9314 10.0241 10.0241 10.0241 10.0241 k = 0.5000 0.5000 0.3049 ( 16880 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -22.0555 -22.0555 -22.0555 -22.0555 -6.9508 -6.9508 -6.9508 -6.9508 -6.3260 -6.3260 -6.3260 -6.3260 -6.0279 -6.0279 -6.0279 -6.0279 -5.7122 -5.7122 -5.7122 -5.7122 2.5771 2.5771 2.5771 2.5771 2.9351 2.9351 2.9351 2.9351 3.3893 3.3893 3.3893 3.3893 8.9327 8.9327 8.9327 8.9327 10.0411 10.0411 10.0411 10.0411 Writing output data file RbLiS.save init_run : 0.43s CPU 0.59s WALL ( 1 calls) electrons : 284.05s CPU 286.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 284.04s CPU 286.72s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.29s WALL ( 321 calls) cegterg : 246.46s CPU 248.21s WALL ( 416 calls) Called by sum_band: Called by *egterg: h_psi : 186.25s CPU 187.26s WALL ( 6746 calls) s_psi : 9.82s CPU 10.02s WALL ( 6746 calls) g_psi : 0.65s CPU 0.72s WALL ( 6009 calls) cdiaghg : 36.62s CPU 37.19s WALL ( 6330 calls) cegterg:over : 13.83s CPU 13.84s WALL ( 6009 calls) cegterg:upda : 14.35s CPU 14.41s WALL ( 6009 calls) cegterg:last : 7.26s CPU 7.23s WALL ( 1058 calls) cdiaghg:chol : 2.12s CPU 2.20s WALL ( 6330 calls) cdiaghg:inve : 1.26s CPU 1.23s WALL ( 6330 calls) cdiaghg:para : 2.08s CPU 2.17s WALL ( 12660 calls) Called by h_psi: h_psi:vloc : 163.79s CPU 165.12s WALL ( 6746 calls) h_psi:vnl : 21.67s CPU 21.40s WALL ( 6746 calls) add_vuspsi : 10.60s CPU 10.59s WALL ( 6746 calls) General routines calbec : 11.06s CPU 10.79s WALL ( 6746 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 154.50s CPU 155.93s WALL ( 631392 calls) davcio : 0.44s CPU 0.61s WALL ( 642 calls) Parallel routines fft_scatter : 44.00s CPU 44.38s WALL ( 631407 calls) PWSCF : 5m19.37s CPU 5m39.21s WALL This run was terminated on: 20:42:16 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=