Program PWSCF v.5.1.1 starts on 17Jul2015 at 14:27: 9 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./MnBi.save/ file Mn.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 113 32 9 7797 1172 185 Max 114 33 10 7802 1196 188 Sum 3619 1027 301 249541 37909 5945 bravais-lattice index = 14 lattice parameter (alat) = 8.0812 a.u. unit-cell volume = 648.9992 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 57.0000 Ry charge density cutoff = 803.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.081224 celldm(2)= 1.000000 celldm(3)= 1.419979 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.419979 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.704236 ) PseudoPot. # 1 for Mn read from file: /home/autes/Pseudo/Mn.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 5689fa97e257199ddb8f72ed56aebbb6 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1187 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 Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential Mn 15.00 54.93800 Mn( 1.00) Bi 5.00 208.98040 Bi( 1.00) 24 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 =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7099897 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7099897 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7099897 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7099897 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7099897 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7099897 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7099897 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7099897 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7099897 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7099897 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7099897 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7099897 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3C2' 3C2'' i -i s_h -C2 -3C2' -3C2' -s_h G_7+ 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 2.00 -2.00 0.00 G_8+ 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 2.00 -2.00 0.00 G_9+ 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 -2.00 2.00 0.00 G_8- 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 -2.00 2.00 0.00 G_9- 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 -2.00 2.00 0.00 2S6 -2S6 2S3 -2S3 3s_v 3s_d -3s_v -3s_d G_7+ 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8+ 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9+ -2.00 2.00 0.00 0.00 0.00 0.00 G_7- -1.00 1.00 -1.73 1.73 0.00 0.00 G_8- -1.00 1.00 1.73 -1.73 0.00 0.00 G_9- 2.00 -2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 3C2'-3C2' 3 -3 9 10 -10 -9 3C2''-3C2' 4 -4 12 -11 11 -12 2C6 5 6 2C3 7 8 i 13 s_h -s_h 14 -14 3s_v-3s_v 15 -15 21 22 -22 -21 3s_d-3s_d 16 -16 24 -23 23 -24 2S3 17 18 2S6 19 20 -E -1 -2C6 -5 -6 -2C3 -7 -8 -i -13 -2S3 -17 -18 -2S6 -19 -20 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) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0031153 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0031153 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0031153 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0031153 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0031153 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0031153 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0031153 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0031153 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0031153 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0031153 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0031153 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0031153 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0031153 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0031153 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0031153 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0031153 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0031153 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0031153 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0031153 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0031153 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0031153 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0031153 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0031153 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0031153 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0031153 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0031153 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0031153 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0031153 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0031153 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0031153 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0031153 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0031153 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0031153 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0031153 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0031153 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0031153 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0031153 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0031153 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0031153 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0031153 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0031153 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0031153 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031153 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031153 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0031153 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0031153 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0031153 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0031153 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0031153 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0031153 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0031153 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0031153 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0031153 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0031153 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0031153 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0031153 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0031153 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0031153 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0031153 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0031153 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0031153 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0031153 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0031153 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0031153 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0031153 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0031153 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0031153 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0031153 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031153 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031153 k( 72) = ( 0.3265306 0.5655676 -0.0000000), wk = 0.0031153 k( 73) = ( 0.3197279 0.5537850 -0.0000000), wk = 0.0031153 k( 74) = ( 0.3129252 0.5420023 -0.0000000), wk = 0.0031153 k( 75) = ( 0.3061224 0.5302196 -0.0000000), wk = 0.0031153 k( 76) = ( 0.2993197 0.5184370 -0.0000000), wk = 0.0031153 k( 77) = ( 0.2925170 0.5066543 -0.0000000), wk = 0.0031153 k( 78) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0031153 k( 79) = ( 0.2789116 0.4830890 -0.0000000), wk = 0.0031153 k( 80) = ( 0.2721088 0.4713063 -0.0000000), wk = 0.0031153 k( 81) = ( 0.2653061 0.4595237 -0.0000000), wk = 0.0031153 k( 82) = ( 0.2585034 0.4477410 -0.0000000), wk = 0.0031153 k( 83) = ( 0.2517007 0.4359584 -0.0000000), wk = 0.0031153 k( 84) = ( 0.2448980 0.4241757 -0.0000000), wk = 0.0031153 k( 85) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0031153 k( 86) = ( 0.2312925 0.4006104 -0.0000000), wk = 0.0031153 k( 87) = ( 0.2244898 0.3888277 -0.0000000), wk = 0.0031153 k( 88) = ( 0.2176871 0.3770451 -0.0000000), wk = 0.0031153 k( 89) = ( 0.2108843 0.3652624 -0.0000000), wk = 0.0031153 k( 90) = ( 0.2040816 0.3534798 -0.0000000), wk = 0.0031153 k( 91) = ( 0.1972789 0.3416971 -0.0000000), wk = 0.0031153 k( 92) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0031153 k( 93) = ( 0.1836735 0.3181318 -0.0000000), wk = 0.0031153 k( 94) = ( 0.1768707 0.3063491 -0.0000000), wk = 0.0031153 k( 95) = ( 0.1700680 0.2945665 -0.0000000), wk = 0.0031153 k( 96) = ( 0.1632653 0.2827838 -0.0000000), wk = 0.0031153 k( 97) = ( 0.1564626 0.2710012 -0.0000000), wk = 0.0031153 k( 98) = ( 0.1496599 0.2592185 -0.0000000), wk = 0.0031153 k( 99) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0031153 k( 100) = ( 0.1360544 0.2356532 -0.0000000), wk = 0.0031153 k( 101) = ( 0.1292517 0.2238705 -0.0000000), wk = 0.0031153 k( 102) = ( 0.1224490 0.2120879 -0.0000000), wk = 0.0031153 k( 103) = ( 0.1156463 0.2003052 -0.0000000), wk = 0.0031153 k( 104) = ( 0.1088435 0.1885225 -0.0000000), wk = 0.0031153 k( 105) = ( 0.1020408 0.1767399 -0.0000000), wk = 0.0031153 k( 106) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0031153 k( 107) = ( 0.0884354 0.1531746 -0.0000000), wk = 0.0031153 k( 108) = ( 0.0816327 0.1413919 -0.0000000), wk = 0.0031153 k( 109) = ( 0.0748299 0.1296092 -0.0000000), wk = 0.0031153 k( 110) = ( 0.0680272 0.1178266 -0.0000000), wk = 0.0031153 k( 111) = ( 0.0612245 0.1060439 -0.0000000), wk = 0.0031153 k( 112) = ( 0.0544218 0.0942613 -0.0000000), wk = 0.0031153 k( 113) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0031153 k( 114) = ( 0.0408163 0.0706960 -0.0000000), wk = 0.0031153 k( 115) = ( 0.0340136 0.0589133 -0.0000000), wk = 0.0031153 k( 116) = ( 0.0272109 0.0471306 -0.0000000), wk = 0.0031153 k( 117) = ( 0.0204082 0.0353480 -0.0000000), wk = 0.0031153 k( 118) = ( 0.0136054 0.0235653 -0.0000000), wk = 0.0031153 k( 119) = ( 0.0068027 0.0117827 -0.0000000), wk = 0.0031153 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 122) = ( 0.0000000 0.0000000 0.0135430), wk = 0.0031153 k( 123) = ( 0.0000000 0.0000000 0.0270860), wk = 0.0031153 k( 124) = ( 0.0000000 0.0000000 0.0406290), wk = 0.0031153 k( 125) = ( 0.0000000 0.0000000 0.0541720), wk = 0.0031153 k( 126) = ( 0.0000000 0.0000000 0.0677150), wk = 0.0031153 k( 127) = ( 0.0000000 0.0000000 0.0812580), wk = 0.0031153 k( 128) = ( 0.0000000 0.0000000 0.0948009), wk = 0.0031153 k( 129) = ( 0.0000000 0.0000000 0.1083439), wk = 0.0031153 k( 130) = ( 0.0000000 0.0000000 0.1218869), wk = 0.0031153 k( 131) = ( 0.0000000 0.0000000 0.1354299), wk = 0.0031153 k( 132) = ( 0.0000000 0.0000000 0.1489729), wk = 0.0031153 k( 133) = ( 0.0000000 0.0000000 0.1625159), wk = 0.0031153 k( 134) = ( 0.0000000 0.0000000 0.1760589), wk = 0.0031153 k( 135) = ( 0.0000000 0.0000000 0.1896019), wk = 0.0031153 k( 136) = ( 0.0000000 0.0000000 0.2031449), wk = 0.0031153 k( 137) = ( 0.0000000 0.0000000 0.2166879), wk = 0.0031153 k( 138) = ( 0.0000000 0.0000000 0.2302309), wk = 0.0031153 k( 139) = ( 0.0000000 0.0000000 0.2437738), wk = 0.0031153 k( 140) = ( 0.0000000 0.0000000 0.2573168), wk = 0.0031153 k( 141) = ( 0.0000000 0.0000000 0.2708598), wk = 0.0031153 k( 142) = ( 0.0000000 0.0000000 0.2844028), wk = 0.0031153 k( 143) = ( 0.0000000 0.0000000 0.2979458), wk = 0.0031153 k( 144) = ( 0.0000000 0.0000000 0.3114888), wk = 0.0031153 k( 145) = ( 0.0000000 0.0000000 0.3250318), wk = 0.0031153 k( 146) = ( 0.0000000 0.0000000 0.3385748), wk = 0.0031153 k( 147) = ( 0.0000000 0.0000000 0.3521178), wk = 0.0031153 k( 148) = ( 0.0000000 0.0000000 0.3521178), wk = 0.0031153 k( 149) = ( 0.0116279 0.0067134 0.3521178), wk = 0.0031153 k( 150) = ( 0.0232558 0.0134267 0.3521178), wk = 0.0031153 k( 151) = ( 0.0348837 0.0201401 0.3521178), wk = 0.0031153 k( 152) = ( 0.0465116 0.0268535 0.3521178), wk = 0.0031153 k( 153) = ( 0.0581395 0.0335669 0.3521178), wk = 0.0031153 k( 154) = ( 0.0697674 0.0402803 0.3521178), wk = 0.0031153 k( 155) = ( 0.0813954 0.0469936 0.3521178), wk = 0.0031153 k( 156) = ( 0.0930233 0.0537070 0.3521178), wk = 0.0031153 k( 157) = ( 0.1046512 0.0604204 0.3521178), wk = 0.0031153 k( 158) = ( 0.1162791 0.0671338 0.3521178), wk = 0.0031153 k( 159) = ( 0.1279070 0.0738471 0.3521178), wk = 0.0031153 k( 160) = ( 0.1395349 0.0805605 0.3521178), wk = 0.0031153 k( 161) = ( 0.1511628 0.0872739 0.3521178), wk = 0.0031153 k( 162) = ( 0.1627907 0.0939873 0.3521178), wk = 0.0031153 k( 163) = ( 0.1744186 0.1007006 0.3521178), wk = 0.0031153 k( 164) = ( 0.1860465 0.1074140 0.3521178), wk = 0.0031153 k( 165) = ( 0.1976744 0.1141274 0.3521178), wk = 0.0031153 k( 166) = ( 0.2093023 0.1208408 0.3521178), wk = 0.0031153 k( 167) = ( 0.2209302 0.1275541 0.3521178), wk = 0.0031153 k( 168) = ( 0.2325581 0.1342675 0.3521178), wk = 0.0031153 k( 169) = ( 0.2441860 0.1409809 0.3521178), wk = 0.0031153 k( 170) = ( 0.2558140 0.1476943 0.3521178), wk = 0.0031153 k( 171) = ( 0.2674419 0.1544076 0.3521178), wk = 0.0031153 k( 172) = ( 0.2790698 0.1611210 0.3521178), wk = 0.0031153 k( 173) = ( 0.2906977 0.1678344 0.3521178), wk = 0.0031153 k( 174) = ( 0.3023256 0.1745478 0.3521178), wk = 0.0031153 k( 175) = ( 0.3139535 0.1812611 0.3521178), wk = 0.0031153 k( 176) = ( 0.3255814 0.1879745 0.3521178), wk = 0.0031153 k( 177) = ( 0.3372093 0.1946879 0.3521178), wk = 0.0031153 k( 178) = ( 0.3488372 0.2014013 0.3521178), wk = 0.0031153 k( 179) = ( 0.3604651 0.2081146 0.3521178), wk = 0.0031153 k( 180) = ( 0.3720930 0.2148280 0.3521178), wk = 0.0031153 k( 181) = ( 0.3837209 0.2215414 0.3521178), wk = 0.0031153 k( 182) = ( 0.3953488 0.2282548 0.3521178), wk = 0.0031153 k( 183) = ( 0.4069767 0.2349681 0.3521178), wk = 0.0031153 k( 184) = ( 0.4186047 0.2416815 0.3521178), wk = 0.0031153 k( 185) = ( 0.4302326 0.2483949 0.3521178), wk = 0.0031153 k( 186) = ( 0.4418605 0.2551083 0.3521178), wk = 0.0031153 k( 187) = ( 0.4534884 0.2618216 0.3521178), wk = 0.0031153 k( 188) = ( 0.4651163 0.2685350 0.3521178), wk = 0.0031153 k( 189) = ( 0.4767442 0.2752484 0.3521178), wk = 0.0031153 k( 190) = ( 0.4883721 0.2819618 0.3521178), wk = 0.0031153 k( 191) = ( 0.5000000 0.2886751 0.3521178), wk = 0.0031153 k( 192) = ( 0.5000000 0.2886751 0.3521178), wk = 0.0031153 k( 193) = ( 0.4933333 0.3002221 0.3521178), wk = 0.0031153 k( 194) = ( 0.4866667 0.3117692 0.3521178), wk = 0.0031153 k( 195) = ( 0.4800000 0.3233162 0.3521178), wk = 0.0031153 k( 196) = ( 0.4733333 0.3348632 0.3521178), wk = 0.0031153 k( 197) = ( 0.4666667 0.3464102 0.3521178), wk = 0.0031153 k( 198) = ( 0.4600000 0.3579572 0.3521178), wk = 0.0031153 k( 199) = ( 0.4533333 0.3695042 0.3521178), wk = 0.0031153 k( 200) = ( 0.4466667 0.3810512 0.3521178), wk = 0.0031153 k( 201) = ( 0.4400000 0.3925982 0.3521178), wk = 0.0031153 k( 202) = ( 0.4333333 0.4041452 0.3521178), wk = 0.0031153 k( 203) = ( 0.4266667 0.4156922 0.3521178), wk = 0.0031153 k( 204) = ( 0.4200000 0.4272392 0.3521178), wk = 0.0031153 k( 205) = ( 0.4133333 0.4387862 0.3521178), wk = 0.0031153 k( 206) = ( 0.4066667 0.4503332 0.3521178), wk = 0.0031153 k( 207) = ( 0.4000000 0.4618802 0.3521178), wk = 0.0031153 k( 208) = ( 0.3933333 0.4734272 0.3521178), wk = 0.0031153 k( 209) = ( 0.3866667 0.4849742 0.3521178), wk = 0.0031153 k( 210) = ( 0.3800000 0.4965212 0.3521178), wk = 0.0031153 k( 211) = ( 0.3733333 0.5080682 0.3521178), wk = 0.0031153 k( 212) = ( 0.3666667 0.5196152 0.3521178), wk = 0.0031153 k( 213) = ( 0.3600000 0.5311622 0.3521178), wk = 0.0031153 k( 214) = ( 0.3533333 0.5427092 0.3521178), wk = 0.0031153 k( 215) = ( 0.3466667 0.5542563 0.3521178), wk = 0.0031153 k( 216) = ( 0.3400000 0.5658033 0.3521178), wk = 0.0031153 k( 217) = ( 0.3333333 0.5773503 0.3521178), wk = 0.0031153 k( 218) = ( 0.3333333 0.5773503 0.3521178), wk = 0.0031153 k( 219) = ( 0.3265306 0.5655676 0.3521178), wk = 0.0031153 k( 220) = ( 0.3197279 0.5537850 0.3521178), wk = 0.0031153 k( 221) = ( 0.3129252 0.5420023 0.3521178), wk = 0.0031153 k( 222) = ( 0.3061224 0.5302196 0.3521178), wk = 0.0031153 k( 223) = ( 0.2993197 0.5184370 0.3521178), wk = 0.0031153 k( 224) = ( 0.2925170 0.5066543 0.3521178), wk = 0.0031153 k( 225) = ( 0.2857143 0.4948717 0.3521178), wk = 0.0031153 k( 226) = ( 0.2789116 0.4830890 0.3521178), wk = 0.0031153 k( 227) = ( 0.2721088 0.4713063 0.3521178), wk = 0.0031153 k( 228) = ( 0.2653061 0.4595237 0.3521178), wk = 0.0031153 k( 229) = ( 0.2585034 0.4477410 0.3521178), wk = 0.0031153 k( 230) = ( 0.2517007 0.4359584 0.3521178), wk = 0.0031153 k( 231) = ( 0.2448980 0.4241757 0.3521178), wk = 0.0031153 k( 232) = ( 0.2380952 0.4123931 0.3521178), wk = 0.0031153 k( 233) = ( 0.2312925 0.4006104 0.3521178), wk = 0.0031153 k( 234) = ( 0.2244898 0.3888277 0.3521178), wk = 0.0031153 k( 235) = ( 0.2176871 0.3770451 0.3521178), wk = 0.0031153 k( 236) = ( 0.2108843 0.3652624 0.3521178), wk = 0.0031153 k( 237) = ( 0.2040816 0.3534798 0.3521178), wk = 0.0031153 k( 238) = ( 0.1972789 0.3416971 0.3521178), wk = 0.0031153 k( 239) = ( 0.1904762 0.3299144 0.3521178), wk = 0.0031153 k( 240) = ( 0.1836735 0.3181318 0.3521178), wk = 0.0031153 k( 241) = ( 0.1768707 0.3063491 0.3521178), wk = 0.0031153 k( 242) = ( 0.1700680 0.2945665 0.3521178), wk = 0.0031153 k( 243) = ( 0.1632653 0.2827838 0.3521178), wk = 0.0031153 k( 244) = ( 0.1564626 0.2710012 0.3521178), wk = 0.0031153 k( 245) = ( 0.1496599 0.2592185 0.3521178), wk = 0.0031153 k( 246) = ( 0.1428571 0.2474358 0.3521178), wk = 0.0031153 k( 247) = ( 0.1360544 0.2356532 0.3521178), wk = 0.0031153 k( 248) = ( 0.1292517 0.2238705 0.3521178), wk = 0.0031153 k( 249) = ( 0.1224490 0.2120879 0.3521178), wk = 0.0031153 k( 250) = ( 0.1156463 0.2003052 0.3521178), wk = 0.0031153 k( 251) = ( 0.1088435 0.1885225 0.3521178), wk = 0.0031153 k( 252) = ( 0.1020408 0.1767399 0.3521178), wk = 0.0031153 k( 253) = ( 0.0952381 0.1649572 0.3521178), wk = 0.0031153 k( 254) = ( 0.0884354 0.1531746 0.3521178), wk = 0.0031153 k( 255) = ( 0.0816327 0.1413919 0.3521178), wk = 0.0031153 k( 256) = ( 0.0748299 0.1296092 0.3521178), wk = 0.0031153 k( 257) = ( 0.0680272 0.1178266 0.3521178), wk = 0.0031153 k( 258) = ( 0.0612245 0.1060439 0.3521178), wk = 0.0031153 k( 259) = ( 0.0544218 0.0942613 0.3521178), wk = 0.0031153 k( 260) = ( 0.0476191 0.0824786 0.3521178), wk = 0.0031153 k( 261) = ( 0.0408163 0.0706960 0.3521178), wk = 0.0031153 k( 262) = ( 0.0340136 0.0589133 0.3521178), wk = 0.0031153 k( 263) = ( 0.0272109 0.0471306 0.3521178), wk = 0.0031153 k( 264) = ( 0.0204082 0.0353480 0.3521178), wk = 0.0031153 k( 265) = ( 0.0136054 0.0235653 0.3521178), wk = 0.0031153 k( 266) = ( 0.0068027 0.0117827 0.3521178), wk = 0.0031153 k( 267) = ( 0.0000000 0.0000000 0.3521178), wk = 0.0031153 k( 268) = ( 0.5000000 0.2886751 0.3521178), wk = 0.0031153 k( 269) = ( 0.5000000 0.2886751 0.3385748), wk = 0.0031153 k( 270) = ( 0.5000000 0.2886751 0.3250318), wk = 0.0031153 k( 271) = ( 0.5000000 0.2886751 0.3114888), wk = 0.0031153 k( 272) = ( 0.5000000 0.2886751 0.2979458), wk = 0.0031153 k( 273) = ( 0.5000000 0.2886751 0.2844028), wk = 0.0031153 k( 274) = ( 0.5000000 0.2886751 0.2708598), wk = 0.0031153 k( 275) = ( 0.5000000 0.2886751 0.2573168), wk = 0.0031153 k( 276) = ( 0.5000000 0.2886751 0.2437738), wk = 0.0031153 k( 277) = ( 0.5000000 0.2886751 0.2302309), wk = 0.0031153 k( 278) = ( 0.5000000 0.2886751 0.2166879), wk = 0.0031153 k( 279) = ( 0.5000000 0.2886751 0.2031449), wk = 0.0031153 k( 280) = ( 0.5000000 0.2886751 0.1896019), wk = 0.0031153 k( 281) = ( 0.5000000 0.2886751 0.1760589), wk = 0.0031153 k( 282) = ( 0.5000000 0.2886751 0.1625159), wk = 0.0031153 k( 283) = ( 0.5000000 0.2886751 0.1489729), wk = 0.0031153 k( 284) = ( 0.5000000 0.2886751 0.1354299), wk = 0.0031153 k( 285) = ( 0.5000000 0.2886751 0.1218869), wk = 0.0031153 k( 286) = ( 0.5000000 0.2886751 0.1083439), wk = 0.0031153 k( 287) = ( 0.5000000 0.2886751 0.0948009), wk = 0.0031153 k( 288) = ( 0.5000000 0.2886751 0.0812580), wk = 0.0031153 k( 289) = ( 0.5000000 0.2886751 0.0677150), wk = 0.0031153 k( 290) = ( 0.5000000 0.2886751 0.0541720), wk = 0.0031153 k( 291) = ( 0.5000000 0.2886751 0.0406290), wk = 0.0031153 k( 292) = ( 0.5000000 0.2886751 0.0270860), wk = 0.0031153 k( 293) = ( 0.5000000 0.2886751 0.0135430), wk = 0.0031153 k( 294) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031153 k( 295) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031153 k( 296) = ( 0.3333333 0.5773503 0.0135430), wk = 0.0031153 k( 297) = ( 0.3333333 0.5773503 0.0270860), wk = 0.0031153 k( 298) = ( 0.3333333 0.5773503 0.0406290), wk = 0.0031153 k( 299) = ( 0.3333333 0.5773503 0.0541720), wk = 0.0031153 k( 300) = ( 0.3333333 0.5773503 0.0677150), wk = 0.0031153 k( 301) = ( 0.3333333 0.5773503 0.0812580), wk = 0.0031153 k( 302) = ( 0.3333333 0.5773503 0.0948009), wk = 0.0031153 k( 303) = ( 0.3333333 0.5773503 0.1083439), wk = 0.0031153 k( 304) = ( 0.3333333 0.5773503 0.1218869), wk = 0.0031153 k( 305) = ( 0.3333333 0.5773503 0.1354299), wk = 0.0031153 k( 306) = ( 0.3333333 0.5773503 0.1489729), wk = 0.0031153 k( 307) = ( 0.3333333 0.5773503 0.1625159), wk = 0.0031153 k( 308) = ( 0.3333333 0.5773503 0.1760589), wk = 0.0031153 k( 309) = ( 0.3333333 0.5773503 0.1896019), wk = 0.0031153 k( 310) = ( 0.3333333 0.5773503 0.2031449), wk = 0.0031153 k( 311) = ( 0.3333333 0.5773503 0.2166879), wk = 0.0031153 k( 312) = ( 0.3333333 0.5773503 0.2302309), wk = 0.0031153 k( 313) = ( 0.3333333 0.5773503 0.2437738), wk = 0.0031153 k( 314) = ( 0.3333333 0.5773503 0.2573168), wk = 0.0031153 k( 315) = ( 0.3333333 0.5773503 0.2708598), wk = 0.0031153 k( 316) = ( 0.3333333 0.5773503 0.2844028), wk = 0.0031153 k( 317) = ( 0.3333333 0.5773503 0.2979458), wk = 0.0031153 k( 318) = ( 0.3333333 0.5773503 0.3114888), wk = 0.0031153 k( 319) = ( 0.3333333 0.5773503 0.3250318), wk = 0.0031153 k( 320) = ( 0.3333333 0.5773503 0.3385748), wk = 0.0031153 k( 321) = ( 0.3333333 0.5773503 0.3521178), wk = 0.0031153 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 2) = ( 0.0116279 0.0000000 -0.0000000), wk = 0.0031153 k( 3) = ( 0.0232558 0.0000000 -0.0000000), wk = 0.0031153 k( 4) = ( 0.0348837 0.0000000 -0.0000000), wk = 0.0031153 k( 5) = ( 0.0465116 0.0000000 -0.0000000), wk = 0.0031153 k( 6) = ( 0.0581395 0.0000000 -0.0000000), wk = 0.0031153 k( 7) = ( 0.0697674 0.0000000 -0.0000000), wk = 0.0031153 k( 8) = ( 0.0813954 0.0000000 0.0000000), wk = 0.0031153 k( 9) = ( 0.0930233 0.0000000 -0.0000000), wk = 0.0031153 k( 10) = ( 0.1046512 -0.0000000 0.0000000), wk = 0.0031153 k( 11) = ( 0.1162791 0.0000000 0.0000000), wk = 0.0031153 k( 12) = ( 0.1279070 0.0000000 0.0000000), wk = 0.0031153 k( 13) = ( 0.1395349 0.0000000 -0.0000000), wk = 0.0031153 k( 14) = ( 0.1511628 0.0000000 0.0000000), wk = 0.0031153 k( 15) = ( 0.1627907 0.0000000 0.0000000), wk = 0.0031153 k( 16) = ( 0.1744186 0.0000000 0.0000000), wk = 0.0031153 k( 17) = ( 0.1860465 0.0000000 -0.0000000), wk = 0.0031153 k( 18) = ( 0.1976744 0.0000000 0.0000000), wk = 0.0031153 k( 19) = ( 0.2093023 -0.0000000 0.0000000), wk = 0.0031153 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0031153 k( 21) = ( 0.2325581 0.0000000 0.0000000), wk = 0.0031153 k( 22) = ( 0.2441860 0.0000000 0.0000000), wk = 0.0031153 k( 23) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0031153 k( 24) = ( 0.2674419 0.0000000 -0.0000000), wk = 0.0031153 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0031153 k( 26) = ( 0.2906977 -0.0000000 -0.0000000), wk = 0.0031153 k( 27) = ( 0.3023256 0.0000000 0.0000000), wk = 0.0031153 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0031153 k( 29) = ( 0.3255814 0.0000000 0.0000000), wk = 0.0031153 k( 30) = ( 0.3372093 0.0000000 -0.0000000), wk = 0.0031153 k( 31) = ( 0.3488372 0.0000000 -0.0000000), wk = 0.0031153 k( 32) = ( 0.3604651 0.0000000 -0.0000000), wk = 0.0031153 k( 33) = ( 0.3720930 0.0000000 -0.0000000), wk = 0.0031153 k( 34) = ( 0.3837209 0.0000000 0.0000000), wk = 0.0031153 k( 35) = ( 0.3953488 0.0000000 0.0000000), wk = 0.0031153 k( 36) = ( 0.4069767 0.0000000 -0.0000000), wk = 0.0031153 k( 37) = ( 0.4186047 0.0000000 -0.0000000), wk = 0.0031153 k( 38) = ( 0.4302326 -0.0000000 0.0000000), wk = 0.0031153 k( 39) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0031153 k( 40) = ( 0.4534884 0.0000000 0.0000000), wk = 0.0031153 k( 41) = ( 0.4651163 0.0000000 0.0000000), wk = 0.0031153 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0031153 k( 43) = ( 0.4883721 0.0000000 0.0000000), wk = 0.0031153 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031153 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031153 k( 46) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0031153 k( 47) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0031153 k( 48) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0031153 k( 49) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0031153 k( 50) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0031153 k( 51) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0031153 k( 52) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0031153 k( 53) = ( 0.4466667 0.1066667 -0.0000000), wk = 0.0031153 k( 54) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0031153 k( 55) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0031153 k( 56) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0031153 k( 57) = ( 0.4200000 0.1600000 -0.0000000), wk = 0.0031153 k( 58) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0031153 k( 59) = ( 0.4066667 0.1866667 0.0000000), wk = 0.0031153 k( 60) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0031153 k( 61) = ( 0.3933333 0.2133333 0.0000000), wk = 0.0031153 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0031153 k( 63) = ( 0.3800000 0.2400000 -0.0000000), wk = 0.0031153 k( 64) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0031153 k( 65) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0031153 k( 66) = ( 0.3600000 0.2800000 0.0000000), wk = 0.0031153 k( 67) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0031153 k( 68) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0031153 k( 69) = ( 0.3400000 0.3200000 0.0000000), wk = 0.0031153 k( 70) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031153 k( 71) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031153 k( 72) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0031153 k( 73) = ( 0.3197279 0.3197279 0.0000000), wk = 0.0031153 k( 74) = ( 0.3129252 0.3129252 -0.0000000), wk = 0.0031153 k( 75) = ( 0.3061224 0.3061225 -0.0000000), wk = 0.0031153 k( 76) = ( 0.2993197 0.2993197 -0.0000000), wk = 0.0031153 k( 77) = ( 0.2925170 0.2925170 -0.0000000), wk = 0.0031153 k( 78) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0031153 k( 79) = ( 0.2789116 0.2789116 0.0000000), wk = 0.0031153 k( 80) = ( 0.2721088 0.2721088 0.0000000), wk = 0.0031153 k( 81) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0031153 k( 82) = ( 0.2585034 0.2585034 0.0000000), wk = 0.0031153 k( 83) = ( 0.2517007 0.2517007 -0.0000000), wk = 0.0031153 k( 84) = ( 0.2448980 0.2448980 0.0000000), wk = 0.0031153 k( 85) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0031153 k( 86) = ( 0.2312925 0.2312925 0.0000000), wk = 0.0031153 k( 87) = ( 0.2244898 0.2244898 -0.0000000), wk = 0.0031153 k( 88) = ( 0.2176871 0.2176871 0.0000000), wk = 0.0031153 k( 89) = ( 0.2108843 0.2108843 0.0000000), wk = 0.0031153 k( 90) = ( 0.2040816 0.2040816 0.0000000), wk = 0.0031153 k( 91) = ( 0.1972789 0.1972789 -0.0000000), wk = 0.0031153 k( 92) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0031153 k( 93) = ( 0.1836735 0.1836735 -0.0000000), wk = 0.0031153 k( 94) = ( 0.1768707 0.1768707 0.0000000), wk = 0.0031153 k( 95) = ( 0.1700680 0.1700680 -0.0000000), wk = 0.0031153 k( 96) = ( 0.1632653 0.1632653 0.0000000), wk = 0.0031153 k( 97) = ( 0.1564626 0.1564626 -0.0000000), wk = 0.0031153 k( 98) = ( 0.1496599 0.1496599 0.0000000), wk = 0.0031153 k( 99) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0031153 k( 100) = ( 0.1360544 0.1360544 0.0000000), wk = 0.0031153 k( 101) = ( 0.1292517 0.1292517 0.0000000), wk = 0.0031153 k( 102) = ( 0.1224490 0.1224490 0.0000000), wk = 0.0031153 k( 103) = ( 0.1156463 0.1156463 0.0000000), wk = 0.0031153 k( 104) = ( 0.1088435 0.1088435 -0.0000000), wk = 0.0031153 k( 105) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0031153 k( 106) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0031153 k( 107) = ( 0.0884354 0.0884354 0.0000000), wk = 0.0031153 k( 108) = ( 0.0816327 0.0816327 0.0000000), wk = 0.0031153 k( 109) = ( 0.0748299 0.0748299 0.0000000), wk = 0.0031153 k( 110) = ( 0.0680272 0.0680272 0.0000000), wk = 0.0031153 k( 111) = ( 0.0612245 0.0612245 0.0000000), wk = 0.0031153 k( 112) = ( 0.0544218 0.0544218 -0.0000000), wk = 0.0031153 k( 113) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0031153 k( 114) = ( 0.0408163 0.0408163 0.0000000), wk = 0.0031153 k( 115) = ( 0.0340136 0.0340136 0.0000000), wk = 0.0031153 k( 116) = ( 0.0272109 0.0272109 0.0000000), wk = 0.0031153 k( 117) = ( 0.0204082 0.0204082 0.0000000), wk = 0.0031153 k( 118) = ( 0.0136054 0.0136054 0.0000000), wk = 0.0031153 k( 119) = ( 0.0068027 0.0068027 0.0000000), wk = 0.0031153 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 122) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0031153 k( 123) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0031153 k( 124) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0031153 k( 125) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0031153 k( 126) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0031153 k( 127) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0031153 k( 128) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0031153 k( 129) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0031153 k( 130) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0031153 k( 131) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0031153 k( 132) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0031153 k( 133) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0031153 k( 134) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031153 k( 135) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0031153 k( 136) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0031153 k( 137) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0031153 k( 138) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0031153 k( 139) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0031153 k( 140) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0031153 k( 141) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0031153 k( 142) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0031153 k( 143) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0031153 k( 144) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0031153 k( 145) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0031153 k( 146) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0031153 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031153 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031153 k( 149) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0031153 k( 150) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0031153 k( 151) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0031153 k( 152) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0031153 k( 153) = ( 0.0581395 0.0000000 0.5000000), wk = 0.0031153 k( 154) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0031153 k( 155) = ( 0.0813954 0.0000000 0.5000000), wk = 0.0031153 k( 156) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0031153 k( 157) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0031153 k( 158) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0031153 k( 159) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0031153 k( 160) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0031153 k( 161) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0031153 k( 162) = ( 0.1627907 0.0000000 0.5000000), wk = 0.0031153 k( 163) = ( 0.1744186 0.0000000 0.5000000), wk = 0.0031153 k( 164) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0031153 k( 165) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0031153 k( 166) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0031153 k( 167) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0031153 k( 168) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0031153 k( 169) = ( 0.2441860 0.0000000 0.5000000), wk = 0.0031153 k( 170) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0031153 k( 171) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0031153 k( 172) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0031153 k( 173) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0031153 k( 174) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0031153 k( 175) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0031153 k( 176) = ( 0.3255814 0.0000000 0.5000000), wk = 0.0031153 k( 177) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0031153 k( 178) = ( 0.3488372 0.0000000 0.5000000), wk = 0.0031153 k( 179) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0031153 k( 180) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0031153 k( 181) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0031153 k( 182) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0031153 k( 183) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0031153 k( 184) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0031153 k( 185) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0031153 k( 186) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0031153 k( 187) = ( 0.4534884 0.0000000 0.5000000), wk = 0.0031153 k( 188) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0031153 k( 189) = ( 0.4767442 -0.0000000 0.5000000), wk = 0.0031153 k( 190) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0031153 k( 191) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031153 k( 192) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031153 k( 193) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0031153 k( 194) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0031153 k( 195) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0031153 k( 196) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0031153 k( 197) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0031153 k( 198) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0031153 k( 199) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0031153 k( 200) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0031153 k( 201) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0031153 k( 202) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0031153 k( 203) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0031153 k( 204) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0031153 k( 205) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0031153 k( 206) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0031153 k( 207) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0031153 k( 208) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0031153 k( 209) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0031153 k( 210) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0031153 k( 211) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0031153 k( 212) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0031153 k( 213) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0031153 k( 214) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0031153 k( 215) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0031153 k( 216) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0031153 k( 217) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031153 k( 218) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031153 k( 219) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0031153 k( 220) = ( 0.3197279 0.3197279 0.5000000), wk = 0.0031153 k( 221) = ( 0.3129252 0.3129252 0.5000000), wk = 0.0031153 k( 222) = ( 0.3061224 0.3061225 0.5000000), wk = 0.0031153 k( 223) = ( 0.2993197 0.2993197 0.5000000), wk = 0.0031153 k( 224) = ( 0.2925170 0.2925170 0.5000000), wk = 0.0031153 k( 225) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0031153 k( 226) = ( 0.2789116 0.2789116 0.5000000), wk = 0.0031153 k( 227) = ( 0.2721088 0.2721088 0.5000000), wk = 0.0031153 k( 228) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0031153 k( 229) = ( 0.2585034 0.2585034 0.5000000), wk = 0.0031153 k( 230) = ( 0.2517007 0.2517007 0.5000000), wk = 0.0031153 k( 231) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0031153 k( 232) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0031153 k( 233) = ( 0.2312925 0.2312925 0.5000000), wk = 0.0031153 k( 234) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0031153 k( 235) = ( 0.2176871 0.2176871 0.5000000), wk = 0.0031153 k( 236) = ( 0.2108843 0.2108843 0.5000000), wk = 0.0031153 k( 237) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0031153 k( 238) = ( 0.1972789 0.1972789 0.5000000), wk = 0.0031153 k( 239) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0031153 k( 240) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0031153 k( 241) = ( 0.1768707 0.1768707 0.5000000), wk = 0.0031153 k( 242) = ( 0.1700680 0.1700680 0.5000000), wk = 0.0031153 k( 243) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0031153 k( 244) = ( 0.1564626 0.1564626 0.5000000), wk = 0.0031153 k( 245) = ( 0.1496599 0.1496599 0.5000000), wk = 0.0031153 k( 246) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0031153 k( 247) = ( 0.1360544 0.1360544 0.5000000), wk = 0.0031153 k( 248) = ( 0.1292517 0.1292517 0.5000000), wk = 0.0031153 k( 249) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0031153 k( 250) = ( 0.1156463 0.1156463 0.5000000), wk = 0.0031153 k( 251) = ( 0.1088435 0.1088435 0.5000000), wk = 0.0031153 k( 252) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0031153 k( 253) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0031153 k( 254) = ( 0.0884354 0.0884354 0.5000000), wk = 0.0031153 k( 255) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0031153 k( 256) = ( 0.0748299 0.0748299 0.5000000), wk = 0.0031153 k( 257) = ( 0.0680272 0.0680272 0.5000000), wk = 0.0031153 k( 258) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0031153 k( 259) = ( 0.0544218 0.0544218 0.5000000), wk = 0.0031153 k( 260) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0031153 k( 261) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0031153 k( 262) = ( 0.0340136 0.0340136 0.5000000), wk = 0.0031153 k( 263) = ( 0.0272109 0.0272109 0.5000000), wk = 0.0031153 k( 264) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0031153 k( 265) = ( 0.0136054 0.0136054 0.5000000), wk = 0.0031153 k( 266) = ( 0.0068027 0.0068027 0.5000000), wk = 0.0031153 k( 267) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031153 k( 268) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031153 k( 269) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0031153 k( 270) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0031153 k( 271) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0031153 k( 272) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0031153 k( 273) = ( 0.5000000 0.0000000 0.4038462), wk = 0.0031153 k( 274) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0031153 k( 275) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0031153 k( 276) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0031153 k( 277) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0031153 k( 278) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0031153 k( 279) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0031153 k( 280) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0031153 k( 281) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0031153 k( 282) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0031153 k( 283) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0031153 k( 284) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0031153 k( 285) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0031153 k( 286) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0031153 k( 287) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0031153 k( 288) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0031153 k( 289) = ( 0.5000000 0.0000000 0.0961538), wk = 0.0031153 k( 290) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0031153 k( 291) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0031153 k( 292) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0031153 k( 293) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0031153 k( 294) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031153 k( 295) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031153 k( 296) = ( 0.3333333 0.3333333 0.0192308), wk = 0.0031153 k( 297) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0031153 k( 298) = ( 0.3333333 0.3333333 0.0576923), wk = 0.0031153 k( 299) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0031153 k( 300) = ( 0.3333333 0.3333333 0.0961538), wk = 0.0031153 k( 301) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0031153 k( 302) = ( 0.3333333 0.3333333 0.1346154), wk = 0.0031153 k( 303) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0031153 k( 304) = ( 0.3333333 0.3333333 0.1730769), wk = 0.0031153 k( 305) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0031153 k( 306) = ( 0.3333333 0.3333333 0.2115385), wk = 0.0031153 k( 307) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0031153 k( 308) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0031153 k( 309) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0031153 k( 310) = ( 0.3333333 0.3333333 0.2884615), wk = 0.0031153 k( 311) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0031153 k( 312) = ( 0.3333333 0.3333333 0.3269231), wk = 0.0031153 k( 313) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0031153 k( 314) = ( 0.3333333 0.3333333 0.3653846), wk = 0.0031153 k( 315) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0031153 k( 316) = ( 0.3333333 0.3333333 0.4038462), wk = 0.0031153 k( 317) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0031153 k( 318) = ( 0.3333333 0.3333333 0.4423077), wk = 0.0031153 k( 319) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0031153 k( 320) = ( 0.3333333 0.3333333 0.4807692), wk = 0.0031153 k( 321) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031153 Dense grid: 249541 G-vectors FFT dimensions: ( 75, 75, 108) Smooth grid: 37909 G-vectors FFT dimensions: ( 40, 40, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 308, 48) NL pseudopotentials 0.23 Mb ( 154, 100) Each V/rho on FFT grid 0.34 Mb ( 22500) Each G-vector array 0.06 Mb ( 7799) G-vector shells 0.03 Mb ( 3331) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.90 Mb ( 308, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.15 Mb ( 100, 2, 48) The potential is recalculated from file : ./MnBi.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 6.4 secs Computing kpt #: 4 total cpu time spent up to now is 7.6 secs Computing kpt #: 5 total cpu time spent up to now is 8.7 secs Computing kpt #: 6 total cpu time spent up to now is 9.9 secs Computing kpt #: 7 total cpu time spent up to now is 10.9 secs Computing kpt #: 8 total cpu time spent up to now is 12.0 secs Computing kpt #: 9 total cpu time spent up to now is 13.1 secs Computing kpt #: 10 total cpu time spent up to now is 14.2 secs Computing kpt #: 11 total cpu time spent up to now is 15.2 secs Computing kpt #: 12 total cpu time spent up to now is 16.2 secs Computing kpt #: 13 total cpu time spent up to now is 17.1 secs Computing kpt #: 14 total cpu time spent up to now is 18.1 secs Computing kpt #: 15 total cpu time spent up to now is 19.1 secs Computing kpt #: 16 total cpu time spent up to now is 20.0 secs Computing kpt #: 17 total cpu time spent up to now is 21.0 secs Computing kpt #: 18 total cpu time spent up to now is 21.9 secs Computing kpt #: 19 total cpu time spent up to now is 22.8 secs Computing kpt #: 20 total cpu time spent up to now is 23.8 secs Computing kpt #: 21 total cpu time spent up to now is 24.6 secs Computing kpt #: 22 total cpu time spent up to now is 25.5 secs Computing kpt #: 23 total cpu time spent up to now is 26.4 secs Computing kpt #: 24 total cpu time spent up to now is 27.3 secs Computing kpt #: 25 total cpu time spent up to now is 28.2 secs Computing kpt #: 26 total cpu time spent up to now is 29.1 secs Computing kpt #: 27 total cpu time spent up to now is 29.9 secs Computing kpt #: 28 total cpu time spent up to now is 30.9 secs Computing kpt #: 29 total cpu time spent up to now is 31.8 secs Computing kpt #: 30 total cpu time spent up to now is 32.8 secs Computing kpt #: 31 total cpu time spent up to now is 33.7 secs Computing kpt #: 32 total cpu time spent up to now is 34.7 secs Computing kpt #: 33 total cpu time spent up to now is 35.5 secs Computing kpt #: 34 total cpu time spent up to now is 36.4 secs Computing kpt #: 35 total cpu time spent up to now is 37.3 secs Computing kpt #: 36 total cpu time spent up to now is 38.2 secs Computing kpt #: 37 total cpu time spent up to now is 39.1 secs Computing kpt #: 38 total cpu time spent up to now is 40.0 secs Computing kpt #: 39 total cpu time spent up to now is 40.8 secs Computing kpt #: 40 total cpu time spent up to now is 41.7 secs Computing kpt #: 41 total cpu time spent up to now is 42.5 secs Computing kpt #: 42 total cpu time spent up to now is 43.3 secs Computing kpt #: 43 total cpu time spent up to now is 44.1 secs Computing kpt #: 44 total cpu time spent up to now is 44.8 secs Computing kpt #: 45 total cpu time spent up to now is 45.6 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 47.2 secs Computing kpt #: 48 total cpu time spent up to now is 48.0 secs Computing kpt #: 49 total cpu time spent up to now is 48.8 secs Computing kpt #: 50 total cpu time spent up to now is 49.6 secs Computing kpt #: 51 total cpu time spent up to now is 50.4 secs Computing kpt #: 52 total cpu time spent up to now is 51.2 secs Computing kpt #: 53 total cpu time spent up to now is 52.2 secs Computing kpt #: 54 total cpu time spent up to now is 53.1 secs Computing kpt #: 55 total cpu time spent up to now is 53.9 secs Computing kpt #: 56 total cpu time spent up to now is 54.8 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 57.6 secs Computing kpt #: 60 total cpu time spent up to now is 58.6 secs Computing kpt #: 61 total cpu time spent up to now is 59.5 secs Computing kpt #: 62 total cpu time spent up to now is 60.5 secs Computing kpt #: 63 total cpu time spent up to now is 61.5 secs Computing kpt #: 64 total cpu time spent up to now is 62.5 secs Computing kpt #: 65 total cpu time spent up to now is 63.6 secs Computing kpt #: 66 total cpu time spent up to now is 64.7 secs Computing kpt #: 67 total cpu time spent up to now is 65.7 secs Computing kpt #: 68 total cpu time spent up to now is 66.8 secs Computing kpt #: 69 total cpu time spent up to now is 67.9 secs Computing kpt #: 70 total cpu time spent up to now is 69.0 secs Computing kpt #: 71 total cpu time spent up to now is 70.0 secs Computing kpt #: 72 total cpu time spent up to now is 71.1 secs Computing kpt #: 73 total cpu time spent up to now is 72.2 secs Computing kpt #: 74 total cpu time spent up to now is 73.4 secs Computing kpt #: 75 total cpu time spent up to now is 74.5 secs Computing kpt #: 76 total cpu time spent up to now is 75.6 secs Computing kpt #: 77 total cpu time spent up to now is 76.6 secs Computing kpt #: 78 total cpu time spent up to now is 77.6 secs Computing kpt #: 79 total cpu time spent up to now is 78.6 secs Computing kpt #: 80 total cpu time spent up to now is 79.6 secs Computing kpt #: 81 total cpu time spent up to now is 80.6 secs Computing kpt #: 82 total cpu time spent up to now is 81.6 secs Computing kpt #: 83 total cpu time spent up to now is 82.7 secs Computing kpt #: 84 total cpu time spent up to now is 83.7 secs Computing kpt #: 85 total cpu time spent up to now is 84.8 secs Computing kpt #: 86 total cpu time spent up to now is 85.9 secs Computing kpt #: 87 total cpu time spent up to now is 86.9 secs Computing kpt #: 88 total cpu time spent up to now is 88.0 secs Computing kpt #: 89 total cpu time spent up to now is 89.0 secs Computing kpt #: 90 total cpu time spent up to now is 90.0 secs Computing kpt #: 91 total cpu time spent up to now is 90.9 secs Computing kpt #: 92 total cpu time spent up to now is 91.9 secs Computing kpt #: 93 total cpu time spent up to now is 92.8 secs Computing kpt #: 94 total cpu time spent up to now is 93.8 secs Computing kpt #: 95 total cpu time spent up to now is 94.7 secs Computing kpt #: 96 total cpu time spent up to now is 95.7 secs Computing kpt #: 97 total cpu time spent up to now is 96.6 secs Computing kpt #: 98 total cpu time spent up to now is 97.6 secs Computing kpt #: 99 total cpu time spent up to now is 98.5 secs Computing kpt #: 100 total cpu time spent up to now is 99.5 secs Computing kpt #: 101 total cpu time spent up to now is 100.5 secs Computing kpt #: 102 total cpu time spent up to now is 101.4 secs Computing kpt #: 103 total cpu time spent up to now is 102.4 secs Computing kpt #: 104 total cpu time spent up to now is 103.3 secs Computing kpt #: 105 total cpu time spent up to now is 104.3 secs Computing kpt #: 106 total cpu time spent up to now is 105.2 secs Computing kpt #: 107 total cpu time spent up to now is 106.2 secs Computing kpt #: 108 total cpu time spent up to now is 107.2 secs Computing kpt #: 109 total cpu time spent up to now is 108.2 secs Computing kpt #: 110 total cpu time spent up to now is 109.3 secs Computing kpt #: 111 total cpu time spent up to now is 110.3 secs Computing kpt #: 112 total cpu time spent up to now is 111.3 secs Computing kpt #: 113 total cpu time spent up to now is 112.3 secs Computing kpt #: 114 total cpu time spent up to now is 113.4 secs Computing kpt #: 115 total cpu time spent up to now is 114.5 secs Computing kpt #: 116 total cpu time spent up to now is 115.7 secs Computing kpt #: 117 total cpu time spent up to now is 116.8 secs Computing kpt #: 118 total cpu time spent up to now is 117.9 secs Computing kpt #: 119 total cpu time spent up to now is 119.0 secs Computing kpt #: 120 total cpu time spent up to now is 119.9 secs Computing kpt #: 121 total cpu time spent up to now is 120.9 secs Computing kpt #: 122 total cpu time spent up to now is 121.8 secs Computing kpt #: 123 total cpu time spent up to now is 122.8 secs Computing kpt #: 124 total cpu time spent up to now is 124.0 secs Computing kpt #: 125 total cpu time spent up to now is 125.5 secs Computing kpt #: 126 total cpu time spent up to now is 126.7 secs Computing kpt #: 127 total cpu time spent up to now is 127.9 secs Computing kpt #: 128 total cpu time spent up to now is 129.0 secs Computing kpt #: 129 total cpu time spent up to now is 129.9 secs Computing kpt #: 130 total cpu time spent up to now is 131.0 secs Computing kpt #: 131 total cpu time spent up to now is 132.1 secs Computing kpt #: 132 total cpu time spent up to now is 133.1 secs Computing kpt #: 133 total cpu time spent up to now is 134.3 secs Computing kpt #: 134 total cpu time spent up to now is 135.5 secs Computing kpt #: 135 total cpu time spent up to now is 136.7 secs Computing kpt #: 136 total cpu time spent up to now is 138.1 secs Computing kpt #: 137 total cpu time spent up to now is 139.1 secs Computing kpt #: 138 total cpu time spent up to now is 140.2 secs Computing kpt #: 139 total cpu time spent up to now is 141.2 secs Computing kpt #: 140 total cpu time spent up to now is 142.2 secs Computing kpt #: 141 total cpu time spent up to now is 143.2 secs Computing kpt #: 142 total cpu time spent up to now is 144.1 secs Computing kpt #: 143 total cpu time spent up to now is 145.1 secs Computing kpt #: 144 total cpu time spent up to now is 146.0 secs Computing kpt #: 145 total cpu time spent up to now is 146.9 secs Computing kpt #: 146 total cpu time spent up to now is 147.9 secs Computing kpt #: 147 total cpu time spent up to now is 148.8 secs Computing kpt #: 148 total cpu time spent up to now is 149.7 secs Computing kpt #: 149 total cpu time spent up to now is 150.6 secs Computing kpt #: 150 total cpu time spent up to now is 151.6 secs Computing kpt #: 151 total cpu time spent up to now is 152.5 secs Computing kpt #: 152 total cpu time spent up to now is 153.4 secs Computing kpt #: 153 total cpu time spent up to now is 154.4 secs Computing kpt #: 154 total cpu time spent up to now is 155.3 secs Computing kpt #: 155 total cpu time spent up to now is 156.3 secs Computing kpt #: 156 total cpu time spent up to now is 157.2 secs Computing kpt #: 157 total cpu time spent up to now is 158.3 secs Computing kpt #: 158 total cpu time spent up to now is 159.2 secs Computing kpt #: 159 total cpu time spent up to now is 160.3 secs Computing kpt #: 160 total cpu time spent up to now is 161.3 secs Computing kpt #: 161 total cpu time spent up to now is 162.3 secs Computing kpt #: 162 total cpu time spent up to now is 163.3 secs Computing kpt #: 163 total cpu time spent up to now is 164.3 secs Computing kpt #: 164 total cpu time spent up to now is 165.4 secs Computing kpt #: 165 total cpu time spent up to now is 166.4 secs Computing kpt #: 166 total cpu time spent up to now is 167.5 secs Computing kpt #: 167 total cpu time spent up to now is 168.5 secs Computing kpt #: 168 total cpu time spent up to now is 169.5 secs Computing kpt #: 169 total cpu time spent up to now is 170.6 secs Computing kpt #: 170 total cpu time spent up to now is 171.6 secs Computing kpt #: 171 total cpu time spent up to now is 172.7 secs Computing kpt #: 172 total cpu time spent up to now is 173.7 secs Computing kpt #: 173 total cpu time spent up to now is 174.7 secs Computing kpt #: 174 total cpu time spent up to now is 175.7 secs Computing kpt #: 175 total cpu time spent up to now is 176.7 secs Computing kpt #: 176 total cpu time spent up to now is 177.7 secs Computing kpt #: 177 total cpu time spent up to now is 178.7 secs Computing kpt #: 178 total cpu time spent up to now is 179.7 secs Computing kpt #: 179 total cpu time spent up to now is 180.8 secs Computing kpt #: 180 total cpu time spent up to now is 181.8 secs Computing kpt #: 181 total cpu time spent up to now is 182.8 secs Computing kpt #: 182 total cpu time spent up to now is 183.9 secs Computing kpt #: 183 total cpu time spent up to now is 184.9 secs Computing kpt #: 184 total cpu time spent up to now is 185.9 secs Computing kpt #: 185 total cpu time spent up to now is 187.0 secs Computing kpt #: 186 total cpu time spent up to now is 188.0 secs Computing kpt #: 187 total cpu time spent up to now is 189.0 secs Computing kpt #: 188 total cpu time spent up to now is 190.0 secs Computing kpt #: 189 total cpu time spent up to now is 191.0 secs Computing kpt #: 190 total cpu time spent up to now is 192.0 secs Computing kpt #: 191 total cpu time spent up to now is 193.0 secs Computing kpt #: 192 total cpu time spent up to now is 193.9 secs Computing kpt #: 193 total cpu time spent up to now is 194.9 secs Computing kpt #: 194 total cpu time spent up to now is 195.8 secs Computing kpt #: 195 total cpu time spent up to now is 196.7 secs Computing kpt #: 196 total cpu time spent up to now is 197.7 secs Computing kpt #: 197 total cpu time spent up to now is 198.6 secs Computing kpt #: 198 total cpu time spent up to now is 199.5 secs Computing kpt #: 199 total cpu time spent up to now is 200.4 secs Computing kpt #: 200 total cpu time spent up to now is 201.3 secs Computing kpt #: 201 total cpu time spent up to now is 202.1 secs Computing kpt #: 202 total cpu time spent up to now is 202.9 secs Computing kpt #: 203 total cpu time spent up to now is 203.7 secs Computing kpt #: 204 total cpu time spent up to now is 204.5 secs Computing kpt #: 205 total cpu time spent up to now is 205.3 secs Computing kpt #: 206 total cpu time spent up to now is 206.0 secs Computing kpt #: 207 total cpu time spent up to now is 206.8 secs Computing kpt #: 208 total cpu time spent up to now is 207.5 secs Computing kpt #: 209 total cpu time spent up to now is 208.2 secs Computing kpt #: 210 total cpu time spent up to now is 208.9 secs Computing kpt #: 211 total cpu time spent up to now is 209.6 secs Computing kpt #: 212 total cpu time spent up to now is 210.3 secs Computing kpt #: 213 total cpu time spent up to now is 211.0 secs Computing kpt #: 214 total cpu time spent up to now is 211.7 secs Computing kpt #: 215 total cpu time spent up to now is 212.4 secs Computing kpt #: 216 total cpu time spent up to now is 213.1 secs Computing kpt #: 217 total cpu time spent up to now is 213.8 secs Computing kpt #: 218 total cpu time spent up to now is 214.5 secs Computing kpt #: 219 total cpu time spent up to now is 215.2 secs Computing kpt #: 220 total cpu time spent up to now is 215.9 secs Computing kpt #: 221 total cpu time spent up to now is 216.6 secs Computing kpt #: 222 total cpu time spent up to now is 217.3 secs Computing kpt #: 223 total cpu time spent up to now is 218.0 secs Computing kpt #: 224 total cpu time spent up to now is 218.8 secs Computing kpt #: 225 total cpu time spent up to now is 219.5 secs Computing kpt #: 226 total cpu time spent up to now is 220.2 secs Computing kpt #: 227 total cpu time spent up to now is 220.9 secs Computing kpt #: 228 total cpu time spent up to now is 221.7 secs Computing kpt #: 229 total cpu time spent up to now is 222.4 secs Computing kpt #: 230 total cpu time spent up to now is 223.4 secs Computing kpt #: 231 total cpu time spent up to now is 224.2 secs Computing kpt #: 232 total cpu time spent up to now is 225.0 secs Computing kpt #: 233 total cpu time spent up to now is 226.6 secs Computing kpt #: 234 total cpu time spent up to now is 228.8 secs Computing kpt #: 235 total cpu time spent up to now is 229.9 secs Computing kpt #: 236 total cpu time spent up to now is 230.7 secs Computing kpt #: 237 total cpu time spent up to now is 231.6 secs Computing kpt #: 238 total cpu time spent up to now is 232.4 secs Computing kpt #: 239 total cpu time spent up to now is 233.3 secs Computing kpt #: 240 total cpu time spent up to now is 234.1 secs Computing kpt #: 241 total cpu time spent up to now is 235.0 secs Computing kpt #: 242 total cpu time spent up to now is 235.9 secs Computing kpt #: 243 total cpu time spent up to now is 236.9 secs Computing kpt #: 244 total cpu time spent up to now is 237.8 secs Computing kpt #: 245 total cpu time spent up to now is 238.9 secs Computing kpt #: 246 total cpu time spent up to now is 239.9 secs Computing kpt #: 247 total cpu time spent up to now is 240.9 secs Computing kpt #: 248 total cpu time spent up to now is 242.0 secs Computing kpt #: 249 total cpu time spent up to now is 243.1 secs Computing kpt #: 250 total cpu time spent up to now is 244.1 secs Computing kpt #: 251 total cpu time spent up to now is 245.3 secs Computing kpt #: 252 total cpu time spent up to now is 246.3 secs Computing kpt #: 253 total cpu time spent up to now is 247.4 secs Computing kpt #: 254 total cpu time spent up to now is 248.5 secs Computing kpt #: 255 total cpu time spent up to now is 249.5 secs Computing kpt #: 256 total cpu time spent up to now is 250.5 secs Computing kpt #: 257 total cpu time spent up to now is 251.5 secs Computing kpt #: 258 total cpu time spent up to now is 252.5 secs Computing kpt #: 259 total cpu time spent up to now is 253.5 secs Computing kpt #: 260 total cpu time spent up to now is 254.5 secs Computing kpt #: 261 total cpu time spent up to now is 255.4 secs Computing kpt #: 262 total cpu time spent up to now is 256.4 secs Computing kpt #: 263 total cpu time spent up to now is 257.3 secs Computing kpt #: 264 total cpu time spent up to now is 258.3 secs Computing kpt #: 265 total cpu time spent up to now is 259.2 secs Computing kpt #: 266 total cpu time spent up to now is 260.1 secs Computing kpt #: 267 total cpu time spent up to now is 261.1 secs Computing kpt #: 268 total cpu time spent up to now is 262.0 secs Computing kpt #: 269 total cpu time spent up to now is 263.0 secs Computing kpt #: 270 total cpu time spent up to now is 264.1 secs Computing kpt #: 271 total cpu time spent up to now is 265.1 secs Computing kpt #: 272 total cpu time spent up to now is 266.3 secs Computing kpt #: 273 total cpu time spent up to now is 267.3 secs Computing kpt #: 274 total cpu time spent up to now is 268.3 secs Computing kpt #: 275 total cpu time spent up to now is 269.2 secs Computing kpt #: 276 total cpu time spent up to now is 270.2 secs Computing kpt #: 277 total cpu time spent up to now is 271.1 secs Computing kpt #: 278 total cpu time spent up to now is 271.9 secs Computing kpt #: 279 total cpu time spent up to now is 272.8 secs Computing kpt #: 280 total cpu time spent up to now is 273.6 secs Computing kpt #: 281 total cpu time spent up to now is 274.5 secs Computing kpt #: 282 total cpu time spent up to now is 275.3 secs Computing kpt #: 283 total cpu time spent up to now is 276.2 secs Computing kpt #: 284 total cpu time spent up to now is 277.0 secs Computing kpt #: 285 total cpu time spent up to now is 277.8 secs Computing kpt #: 286 total cpu time spent up to now is 278.7 secs Computing kpt #: 287 total cpu time spent up to now is 279.5 secs Computing kpt #: 288 total cpu time spent up to now is 280.4 secs Computing kpt #: 289 total cpu time spent up to now is 281.2 secs Computing kpt #: 290 total cpu time spent up to now is 282.0 secs Computing kpt #: 291 total cpu time spent up to now is 282.8 secs Computing kpt #: 292 total cpu time spent up to now is 283.6 secs Computing kpt #: 293 total cpu time spent up to now is 284.4 secs Computing kpt #: 294 total cpu time spent up to now is 285.2 secs Computing kpt #: 295 total cpu time spent up to now is 286.2 secs Computing kpt #: 296 total cpu time spent up to now is 287.2 secs Computing kpt #: 297 total cpu time spent up to now is 288.3 secs Computing kpt #: 298 total cpu time spent up to now is 289.3 secs Computing kpt #: 299 total cpu time spent up to now is 290.3 secs Computing kpt #: 300 total cpu time spent up to now is 291.3 secs Computing kpt #: 301 total cpu time spent up to now is 292.3 secs Computing kpt #: 302 total cpu time spent up to now is 293.2 secs Computing kpt #: 303 total cpu time spent up to now is 294.2 secs Computing kpt #: 304 total cpu time spent up to now is 295.1 secs Computing kpt #: 305 total cpu time spent up to now is 296.0 secs Computing kpt #: 306 total cpu time spent up to now is 296.8 secs Computing kpt #: 307 total cpu time spent up to now is 297.7 secs Computing kpt #: 308 total cpu time spent up to now is 298.4 secs Computing kpt #: 309 total cpu time spent up to now is 299.3 secs Computing kpt #: 310 total cpu time spent up to now is 300.0 secs Computing kpt #: 311 total cpu time spent up to now is 300.8 secs Computing kpt #: 312 total cpu time spent up to now is 301.6 secs Computing kpt #: 313 total cpu time spent up to now is 302.3 secs Computing kpt #: 314 total cpu time spent up to now is 303.1 secs Computing kpt #: 315 total cpu time spent up to now is 303.8 secs Computing kpt #: 316 total cpu time spent up to now is 304.5 secs Computing kpt #: 317 total cpu time spent up to now is 305.2 secs Computing kpt #: 318 total cpu time spent up to now is 306.0 secs Computing kpt #: 319 total cpu time spent up to now is 306.6 secs Computing kpt #: 320 total cpu time spent up to now is 307.4 secs Computing kpt #: 321 total cpu time spent up to now is 308.0 secs ethr = 2.50E-11, avg # of iterations = 26.1 total cpu time spent up to now is 308.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4755 PWs) bands (ev): -70.4634 -70.4634 -70.4598 -70.4598 -40.1052 -40.1052 -40.0886 -40.0886 -38.9029 -38.9029 -38.8744 -38.8744 -38.7625 -38.7625 -38.7576 -38.7576 -3.5962 -3.5962 -1.5734 -1.5734 3.4899 3.4899 5.8247 5.8247 6.3511 6.3511 6.8908 6.8908 7.5330 7.5330 7.5495 7.5495 7.8961 7.8961 7.9585 7.9585 8.0219 8.0219 8.3678 8.3678 8.4115 8.4115 9.3340 9.3340 10.0730 10.0730 11.0507 11.0507 k = 0.0116 0.0067-0.0000 ( 4755 PWs) bands (ev): -70.4634 -70.4634 -70.4598 -70.4598 -40.1052 -40.1052 -40.0886 -40.0886 -38.9029 -38.9029 -38.8744 -38.8744 -38.7625 -38.7625 -38.7576 -38.7576 -3.5951 -3.5951 -1.5733 -1.5733 3.4914 3.4914 5.8243 5.8243 6.3509 6.3509 6.8896 6.8896 7.5279 7.5279 7.5482 7.5482 7.8905 7.8905 7.9521 7.9521 8.0336 8.0336 8.3679 8.3679 8.4116 8.4116 9.3336 9.3336 10.0546 10.0546 11.0432 11.0432 k = 0.0233 0.0134-0.0000 ( 4747 PWs) bands (ev): -70.4634 -70.4634 -70.4598 -70.4598 -40.1052 -40.1052 -40.0886 -40.0886 -38.9029 -38.9029 -38.8744 -38.8744 -38.7625 -38.7625 -38.7576 -38.7576 -3.5916 -3.5916 -1.5728 -1.5728 3.4959 3.4959 5.8232 5.8232 6.3501 6.3501 6.8856 6.8856 7.5125 7.5125 7.5446 7.5446 7.8741 7.8741 7.9440 7.9440 8.0574 8.0574 8.3681 8.3681 8.4119 8.4119 9.3323 9.3323 10.0030 10.0030 11.0193 11.0193 k = 0.0349 0.0201-0.0000 ( 4735 PWs) bands (ev): -70.4634 -70.4634 -70.4598 -70.4598 -40.1052 -40.1052 -40.0886 -40.0886 -38.9029 -38.9029 -38.8744 -38.8744 -38.7625 -38.7625 -38.7576 -38.7576 -3.5858 -3.5858 -1.5721 -1.5721 3.5033 3.5033 5.8214 5.8214 6.3489 6.3489 6.8787 6.8787 7.4871 7.4871 7.5386 7.5386 7.8507 7.8507 7.9406 7.9406 8.0829 8.0829 8.3685 8.3685 8.4122 8.4122 9.3300 9.3300 9.9268 9.9268 10.9783 10.9783 k = 0.0465 0.0269-0.0000 ( 4727 PWs) bands (ev): -70.4634 -70.4634 -70.4598 -70.4598 -40.1052 -40.1052 -40.0886 -40.0886 -38.9029 -38.9029 -38.8744 -38.8744 -38.7625 -38.7625 -38.7576 -38.7576 -3.5777 -3.5777 -1.5712 -1.5712 3.5137 3.5137 5.8188 5.8188 6.3473 6.3473 6.8683 6.8683 7.4524 7.4524 7.5302 7.5302 7.8255 7.8255 7.9404 7.9404 8.1065 8.1065 8.3691 8.3691 8.4127 8.4127 9.3265 9.3265 9.8353 9.8353 10.9228 10.9228 k = 0.0581 0.0336-0.0000 ( 4717 PWs) bands (ev): -70.4634 -70.4634 -70.4598 -70.4598 -40.1052 -40.1052 -40.0886 -40.0886 -38.9029 -38.9029 -38.8744 -38.8744 -38.7625 -38.7625 -38.7577 -38.7577 -3.5673 -3.5673 -1.5700 -1.5700 3.5271 3.5271 5.8154 5.8154 6.3452 6.3452 6.8535 6.8535 7.4097 7.4097 7.5195 7.5195 7.8008 7.8008 7.9419 7.9419 8.1266 8.1266 8.3697 8.3697 8.4132 8.4132 9.3216 9.3216 9.7368 9.7368 10.8569 10.8569 k = 0.0698 0.0403-0.0000 ( 4717 PWs) bands (ev): -70.4634 -70.4634 -70.4598 -70.4598 -40.1052 -40.1052 -40.0887 -40.0887 -38.9029 -38.9029 -38.8744 -38.8744 -38.7625 -38.7625 -38.7577 -38.7577 -3.5547 -3.5547 -1.5685 -1.5685 3.5434 3.5434 5.8110 5.8110 6.3428 6.3428 6.8329 6.8329 7.3614 7.3614 7.5064 7.5064 7.7772 7.7772 7.9445 7.9445 8.1424 8.1424 8.3703 8.3703 8.4135 8.4135 9.3146 9.3146 9.6374 9.6374 10.7841 10.7841 k = 0.0814 0.0470-0.0000 ( 4711 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1052 -40.1052 -40.0887 -40.0887 -38.9029 -38.9029 -38.8744 -38.8744 -38.7626 -38.7626 -38.7577 -38.7577 -3.5398 -3.5398 -1.5669 -1.5669 3.5626 3.5626 5.8055 5.8055 6.3400 6.3400 6.8048 6.8048 7.3103 7.3103 7.4911 7.4911 7.7544 7.7544 7.9481 7.9481 8.1539 8.1539 8.3707 8.3707 8.4134 8.4134 9.3040 9.3040 9.5426 9.5426 10.7065 10.7065 k = 0.0930 0.0537-0.0000 ( 4715 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1052 -40.1052 -40.0887 -40.0887 -38.9029 -38.9029 -38.8744 -38.8744 -38.7626 -38.7626 -38.7577 -38.7577 -3.5226 -3.5226 -1.5651 -1.5651 3.5846 3.5846 5.7989 5.7989 6.3369 6.3369 6.7674 6.7674 7.2596 7.2596 7.4737 7.4737 7.7319 7.7319 7.9524 7.9524 8.1608 8.1608 8.3708 8.3708 8.4128 8.4128 9.2863 9.2863 9.4587 9.4587 10.6258 10.6258 k = 0.1047 0.0604-0.0000 ( 4711 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1052 -40.1052 -40.0887 -40.0887 -38.9029 -38.9029 -38.8744 -38.8744 -38.7626 -38.7626 -38.7577 -38.7577 -3.5033 -3.5033 -1.5631 -1.5631 3.6094 3.6094 5.7908 5.7908 6.3336 6.3336 6.7186 6.7186 7.2124 7.2124 7.4542 7.4542 7.7092 7.7092 7.9574 7.9574 8.1636 8.1636 8.3706 8.3706 8.4118 8.4118 9.2538 9.2538 9.3949 9.3949 10.5429 10.5429 k = 0.1163 0.0671-0.0000 ( 4715 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1052 -40.1052 -40.0887 -40.0887 -38.9029 -38.9029 -38.8744 -38.8744 -38.7626 -38.7626 -38.7577 -38.7577 -3.4818 -3.4818 -1.5611 -1.5611 3.6369 3.6369 5.7811 5.7811 6.3302 6.3302 6.6575 6.6575 7.1709 7.1709 7.4328 7.4328 7.6859 7.6859 7.9629 7.9629 8.1625 8.1625 8.3699 8.3699 8.4102 8.4102 9.2021 9.2021 9.3565 9.3565 10.4586 10.4586 k = 0.1279 0.0738-0.0000 ( 4707 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1052 -40.1052 -40.0887 -40.0887 -38.9029 -38.9029 -38.8744 -38.8744 -38.7627 -38.7627 -38.7577 -38.7577 -3.4581 -3.4581 -1.5590 -1.5590 3.6671 3.6671 5.7694 5.7694 6.3265 6.3265 6.5847 6.5847 7.1358 7.1358 7.4098 7.4098 7.6618 7.6618 7.9691 7.9691 8.1582 8.1582 8.3687 8.3687 8.4082 8.4082 9.1402 9.1402 9.3346 9.3346 10.3736 10.3736 k = 0.1395 0.0806-0.0000 ( 4701 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0887 -40.0887 -38.9029 -38.9029 -38.8745 -38.8745 -38.7627 -38.7627 -38.7578 -38.7578 -3.4323 -3.4323 -1.5569 -1.5569 3.6999 3.6999 5.7551 5.7551 6.3223 6.3223 6.5022 6.5022 7.1068 7.1068 7.3853 7.3853 7.6367 7.6367 7.9758 7.9758 8.1510 8.1510 8.3669 8.3669 8.4061 8.4061 9.0775 9.0775 9.3195 9.3195 10.2881 10.2881 k = 0.1512 0.0873-0.0000 ( 4705 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0887 -40.0887 -38.9029 -38.9029 -38.8745 -38.8745 -38.7627 -38.7627 -38.7578 -38.7578 -3.4045 -3.4045 -1.5549 -1.5549 3.7351 3.7351 5.7373 5.7373 6.3162 6.3162 6.4144 6.4144 7.0825 7.0825 7.3595 7.3595 7.6105 7.6105 7.9830 7.9830 8.1417 8.1417 8.3644 8.3644 8.4041 8.4041 9.0177 9.0177 9.3066 9.3066 10.2026 10.2026 k = 0.1628 0.0940-0.0000 ( 4713 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0887 -40.0887 -38.9029 -38.9029 -38.8745 -38.8745 -38.7627 -38.7627 -38.7578 -38.7578 -3.3747 -3.3747 -1.5531 -1.5531 3.7727 3.7727 5.7148 5.7148 6.2922 6.2922 6.3407 6.3407 7.0618 7.0618 7.3328 7.3328 7.5832 7.5832 7.9907 7.9907 8.1309 8.1309 8.3612 8.3612 8.4023 8.4023 8.9617 8.9617 9.2941 9.2941 10.1174 10.1174 k = 0.1744 0.1007-0.0000 ( 4707 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0888 -40.0888 -38.9029 -38.9029 -38.8745 -38.8745 -38.7628 -38.7628 -38.7578 -38.7578 -3.3429 -3.3429 -1.5514 -1.5514 3.8126 3.8126 5.6857 5.6857 6.2131 6.2131 6.3224 6.3224 7.0433 7.0433 7.3057 7.3057 7.5550 7.5550 7.9987 7.9987 8.1192 8.1192 8.3578 8.3578 8.4009 8.4009 8.9094 8.9094 9.2813 9.2813 10.0329 10.0329 k = 0.1860 0.1074-0.0000 ( 4707 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0888 -40.0888 -38.9029 -38.9029 -38.8745 -38.8745 -38.7628 -38.7628 -38.7579 -38.7579 -3.3093 -3.3093 -1.5500 -1.5500 3.8544 3.8544 5.6472 5.6472 6.1255 6.1255 6.3174 6.3174 7.0259 7.0259 7.2785 7.2785 7.5261 7.5261 8.0072 8.0072 8.1072 8.1072 8.3540 8.3540 8.3999 8.3999 8.8601 8.8601 9.2675 9.2675 9.9491 9.9491 k = 0.1977 0.1141-0.0000 ( 4717 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0888 -40.0888 -38.9029 -38.9029 -38.8745 -38.8745 -38.7629 -38.7629 -38.7579 -38.7579 -3.2738 -3.2738 -1.5489 -1.5489 3.8981 3.8981 5.5961 5.5961 6.0457 6.0457 6.3143 6.3143 7.0090 7.0090 7.2517 7.2517 7.4967 7.4967 8.0159 8.0159 8.0953 8.0953 8.3500 8.3500 8.3991 8.3991 8.8132 8.8132 9.2523 9.2523 9.8665 9.8665 k = 0.2093 0.1208-0.0000 ( 4707 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0888 -40.0888 -38.9029 -38.9029 -38.8745 -38.8745 -38.7629 -38.7629 -38.7579 -38.7579 -3.2365 -3.2365 -1.5483 -1.5483 3.9434 3.9434 5.5301 5.5301 5.9787 5.9787 6.3120 6.3120 6.9919 6.9919 7.2258 7.2258 7.4671 7.4671 8.0249 8.0249 8.0838 8.0838 8.3460 8.3460 8.3986 8.3986 8.7683 8.7683 9.2356 9.2356 9.7854 9.7854 k = 0.2209 0.1276-0.0000 ( 4709 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0888 -40.0888 -38.9029 -38.9029 -38.8745 -38.8745 -38.7629 -38.7629 -38.7579 -38.7579 -3.1976 -3.1976 -1.5481 -1.5481 3.9898 3.9898 5.4495 5.4495 5.9257 5.9257 6.3100 6.3100 6.9740 6.9740 7.2011 7.2011 7.4374 7.4374 8.0341 8.0341 8.0728 8.0728 8.3419 8.3419 8.3983 8.3983 8.7249 8.7249 9.2169 9.2169 9.7058 9.7058 k = 0.2326 0.1343-0.0000 ( 4707 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0888 -40.0888 -38.9029 -38.9029 -38.8745 -38.8745 -38.7630 -38.7630 -38.7580 -38.7580 -3.1571 -3.1571 -1.5486 -1.5486 4.0370 4.0370 5.3575 5.3575 5.8851 5.8851 6.3084 6.3084 6.9550 6.9550 7.1781 7.1781 7.4079 7.4079 8.0435 8.0435 8.0626 8.0626 8.3380 8.3380 8.3982 8.3982 8.6827 8.6827 9.1959 9.1959 9.6282 9.6282 k = 0.2442 0.1410-0.0000 ( 4717 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0889 -40.0889 -38.9029 -38.9029 -38.8745 -38.8745 -38.7630 -38.7630 -38.7580 -38.7580 -3.1151 -3.1151 -1.5497 -1.5497 4.0842 4.0842 5.2587 5.2587 5.8538 5.8538 6.3069 6.3069 6.9348 6.9348 7.1569 7.1569 7.3788 7.3788 8.0522 8.0522 8.0538 8.0538 8.3341 8.3341 8.3981 8.3981 8.6414 8.6414 9.1725 9.1725 9.5528 9.5528 k = 0.2558 0.1477-0.0000 ( 4715 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0889 -40.0889 -38.9029 -38.9029 -38.8745 -38.8745 -38.7631 -38.7631 -38.7580 -38.7580 -3.0716 -3.0716 -1.5516 -1.5516 4.1304 4.1304 5.1572 5.1572 5.8293 5.8293 6.3056 6.3056 6.9135 6.9135 7.1376 7.1376 7.3503 7.3503 8.0442 8.0442 8.0626 8.0626 8.3303 8.3303 8.3981 8.3981 8.6012 8.6012 9.1464 9.1464 9.4798 9.4798 k = 0.2674 0.1544-0.0000 ( 4711 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0889 -40.0889 -38.9029 -38.9029 -38.8746 -38.8746 -38.7631 -38.7631 -38.7580 -38.7580 -3.0269 -3.0269 -1.5544 -1.5544 4.1743 4.1743 5.0572 5.0572 5.8097 5.8097 6.3044 6.3044 6.8913 6.8913 7.1202 7.1202 7.3226 7.3226 8.0360 8.0360 8.0721 8.0721 8.3265 8.3265 8.3980 8.3980 8.5618 8.5618 9.1174 9.1174 9.4096 9.4096 k = 0.2791 0.1611-0.0000 ( 4715 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0889 -40.0889 -38.9029 -38.9029 -38.8746 -38.8746 -38.7631 -38.7631 -38.7581 -38.7581 -2.9811 -2.9811 -1.5582 -1.5582 4.2134 4.2134 4.9625 4.9625 5.7937 5.7937 6.3031 6.3031 6.8684 6.8684 7.1043 7.1043 7.2959 7.2959 8.0283 8.0283 8.0814 8.0814 8.3228 8.3228 8.3977 8.3977 8.5236 8.5236 9.0853 9.0853 9.3423 9.3423 k = 0.2907 0.1678-0.0000 ( 4707 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0889 -40.0889 -38.9029 -38.9029 -38.8746 -38.8746 -38.7632 -38.7632 -38.7581 -38.7581 -2.9342 -2.9342 -1.5630 -1.5630 4.2440 4.2440 4.8781 4.8781 5.7809 5.7809 6.3017 6.3017 6.8453 6.8453 7.0897 7.0897 7.2704 7.2704 8.0211 8.0211 8.0908 8.0908 8.3192 8.3192 8.3967 8.3967 8.4870 8.4870 9.0499 9.0499 9.2781 9.2781 k = 0.3023 0.1745-0.0000 ( 4705 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0889 -40.0889 -38.9029 -38.9029 -38.8746 -38.8746 -38.7632 -38.7632 -38.7581 -38.7581 -2.8864 -2.8864 -1.5690 -1.5690 4.2603 4.2603 4.8104 4.8104 5.7709 5.7709 6.3000 6.3000 6.8221 6.8221 7.0760 7.0760 7.2462 7.2462 8.0141 8.0141 8.0999 8.0999 8.3156 8.3156 8.3937 8.3937 8.4533 8.4533 9.0112 9.0112 9.2173 9.2173 k = 0.3140 0.1813-0.0000 ( 4713 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0890 -40.0890 -38.9029 -38.9029 -38.8746 -38.8746 -38.7632 -38.7632 -38.7581 -38.7581 -2.8378 -2.8378 -1.5762 -1.5762 4.2557 4.2557 4.7664 4.7664 5.7636 5.7636 6.2981 6.2981 6.7993 6.7993 7.0630 7.0630 7.2236 7.2236 8.0074 8.0074 8.1088 8.1088 8.3118 8.3118 8.3840 8.3840 8.4275 8.4275 8.9692 8.9692 9.1600 9.1600 k = 0.3256 0.1880-0.0000 ( 4707 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1053 -40.1053 -40.0890 -40.0890 -38.9029 -38.9029 -38.8746 -38.8746 -38.7633 -38.7633 -38.7582 -38.7582 -2.7887 -2.7887 -1.5848 -1.5848 4.2268 4.2268 4.7499 4.7499 5.7591 5.7591 6.2961 6.2961 6.7769 6.7769 7.0505 7.0505 7.2027 7.2027 8.0008 8.0008 8.1173 8.1173 8.3073 8.3073 8.3620 8.3620 8.4157 8.4157 8.9240 8.9240 9.1065 9.1065 k = 0.3372 0.1947-0.0000 ( 4713 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0890 -40.0890 -38.9029 -38.9029 -38.8746 -38.8746 -38.7633 -38.7633 -38.7582 -38.7582 -2.7392 -2.7392 -1.5948 -1.5948 4.1773 4.1773 4.7570 4.7570 5.7575 5.7575 6.2937 6.2937 6.7551 6.7551 7.0383 7.0383 7.1836 7.1836 7.9943 7.9943 8.1255 8.1255 8.3004 8.3004 8.3353 8.3353 8.4122 8.4122 8.8758 8.8758 9.0567 9.0567 k = 0.3488 0.2014-0.0000 ( 4713 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0890 -40.0890 -38.9029 -38.9029 -38.8746 -38.8746 -38.7633 -38.7633 -38.7582 -38.7582 -2.6895 -2.6895 -1.6063 -1.6063 4.1152 4.1152 4.7799 4.7799 5.7589 5.7589 6.2913 6.2913 6.7337 6.7337 7.0263 7.0263 7.1665 7.1665 7.9878 7.9878 8.1332 8.1332 8.2848 8.2848 8.3160 8.3160 8.4114 8.4114 8.8251 8.8251 9.0111 9.0111 k = 0.3605 0.2081-0.0000 ( 4713 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0890 -40.0890 -38.9029 -38.9029 -38.8746 -38.8746 -38.7634 -38.7634 -38.7582 -38.7582 -2.6398 -2.6398 -1.6192 -1.6192 4.0472 4.0472 4.8116 4.8116 5.7636 5.7636 6.2888 6.2888 6.7127 6.7127 7.0145 7.0145 7.1515 7.1515 7.9812 7.9812 8.1406 8.1406 8.2587 8.2587 8.3077 8.3077 8.4115 8.4115 8.7722 8.7722 8.9695 8.9695 k = 0.3721 0.2148-0.0000 ( 4711 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1053 -40.1053 -40.0890 -40.0890 -38.9029 -38.9029 -38.8746 -38.8746 -38.7634 -38.7634 -38.7583 -38.7583 -2.5904 -2.5904 -1.6336 -1.6336 3.9780 3.9780 4.8470 4.8470 5.7718 5.7718 6.2865 6.2865 6.6917 6.6917 7.0031 7.0031 7.1385 7.1385 7.9748 7.9748 8.1472 8.1472 8.2301 8.2301 8.3030 8.3030 8.4120 8.4120 8.7181 8.7181 8.9322 8.9322 k = 0.3837 0.2215-0.0000 ( 4715 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0890 -40.0890 -38.9029 -38.9029 -38.8746 -38.8746 -38.7634 -38.7634 -38.7583 -38.7583 -2.5415 -2.5415 -1.6495 -1.6495 3.9106 3.9106 4.8832 4.8832 5.7833 5.7833 6.2846 6.2846 6.6707 6.6707 6.9921 6.9921 7.1275 7.1275 7.9682 7.9682 8.1530 8.1530 8.2023 8.2023 8.2993 8.2993 8.4126 8.4126 8.6635 8.6635 8.8989 8.8989 k = 0.3953 0.2283-0.0000 ( 4727 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0890 -40.0890 -38.9029 -38.9029 -38.8746 -38.8746 -38.7635 -38.7635 -38.7583 -38.7583 -2.4935 -2.4935 -1.6669 -1.6669 3.8468 3.8468 4.9180 4.9180 5.7982 5.7982 6.2836 6.2836 6.6491 6.6491 6.9817 6.9817 7.1184 7.1184 7.9617 7.9617 8.1566 8.1566 8.1775 8.1775 8.2957 8.2957 8.4134 8.4134 8.6097 8.6097 8.8696 8.8696 k = 0.4070 0.2350-0.0000 ( 4723 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7635 -38.7635 -38.7583 -38.7583 -2.4468 -2.4468 -1.6854 -1.6854 3.7876 3.7876 4.9502 4.9502 5.8161 5.8161 6.2838 6.2838 6.6267 6.6267 6.9721 6.9721 7.1110 7.1110 7.9553 7.9553 8.1457 8.1457 8.1685 8.1685 8.2922 8.2922 8.4142 8.4142 8.5579 8.5579 8.8443 8.8443 k = 0.4186 0.2417-0.0000 ( 4722 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7635 -38.7635 -38.7583 -38.7583 -2.4018 -2.4018 -1.7050 -1.7050 3.7341 3.7341 4.9790 4.9790 5.8362 5.8362 6.2857 6.2857 6.6032 6.6032 6.9635 6.9635 7.1052 7.1052 7.9491 7.9491 8.1246 8.1246 8.1712 8.1712 8.2882 8.2882 8.4149 8.4149 8.5093 8.5093 8.8226 8.8226 k = 0.4302 0.2484-0.0000 ( 4724 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7635 -38.7635 -38.7583 -38.7583 -2.3591 -2.3591 -1.7252 -1.7252 3.6867 3.6867 5.0039 5.0039 5.8576 5.8576 6.2898 6.2898 6.5785 6.5785 6.9560 6.9560 7.1009 7.1009 7.9432 7.9432 8.1046 8.1046 8.1747 8.1747 8.2836 8.2836 8.4155 8.4155 8.4658 8.4658 8.8042 8.8042 k = 0.4419 0.2551-0.0000 ( 4724 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7635 -38.7635 -38.7583 -38.7583 -2.3194 -2.3194 -1.7455 -1.7455 3.6460 3.6460 5.0247 5.0247 5.8792 5.8792 6.2968 6.2968 6.5527 6.5527 6.9496 6.9496 7.0978 7.0978 7.9376 7.9376 8.0871 8.0871 8.1778 8.1778 8.2779 8.2779 8.4150 8.4150 8.4297 8.4297 8.7892 8.7892 k = 0.4535 0.2618-0.0000 ( 4736 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7635 -38.7635 -38.7583 -38.7583 -2.2838 -2.2838 -1.7651 -1.7651 3.6122 3.6122 5.0414 5.0414 5.8993 5.8993 6.3068 6.3068 6.5261 6.5261 6.9443 6.9443 7.0956 7.0956 7.9326 7.9326 8.0723 8.0723 8.1803 8.1803 8.2709 8.2709 8.3971 8.3971 8.4183 8.4183 8.7771 8.7771 k = 0.4651 0.2685-0.0000 ( 4728 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.2533 -2.2533 -1.7829 -1.7829 3.5857 3.5857 5.0541 5.0541 5.9167 5.9167 6.3200 6.3200 6.4992 6.4992 6.9403 6.9403 7.0943 7.0943 7.9283 7.9283 8.0607 8.0607 8.1821 8.1821 8.2631 8.2631 8.3760 8.3760 8.4183 8.4183 8.7680 8.7680 k = 0.4767 0.2752-0.0000 ( 4716 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.2297 -2.2297 -1.7974 -1.7974 3.5666 3.5666 5.0631 5.0631 5.9300 5.9300 6.3354 6.3354 6.4738 6.4738 6.9375 6.9375 7.0935 7.0935 7.9251 7.9251 8.0523 8.0523 8.1835 8.1835 8.2556 8.2556 8.3622 8.3622 8.4186 8.4186 8.7615 8.7615 k = 0.4884 0.2820-0.0000 ( 4716 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.2145 -2.2145 -1.8071 -1.8071 3.5551 3.5551 5.0683 5.0683 5.9384 5.9384 6.3499 6.3499 6.4530 6.4530 6.9358 6.9358 7.0931 7.0931 7.9230 7.9230 8.0472 8.0472 8.1842 8.1842 8.2503 8.2503 8.3547 8.3547 8.4188 8.4188 8.7577 8.7577 k = 0.5000 0.2887-0.0000 ( 4718 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.2093 -2.2093 -1.8105 -1.8105 3.5513 3.5513 5.0701 5.0701 5.9412 5.9412 6.3567 6.3567 6.4442 6.4442 6.9352 6.9352 7.0930 7.0930 7.9223 7.9223 8.0455 8.0455 8.1844 8.1844 8.2483 8.2483 8.3523 8.3523 8.4188 8.4188 8.7564 8.7564 k = 0.5000 0.2887-0.0000 ( 4718 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.2093 -2.2093 -1.8105 -1.8105 3.5513 3.5513 5.0701 5.0701 5.9412 5.9412 6.3567 6.3567 6.4442 6.4442 6.9352 6.9352 7.0930 7.0930 7.9223 7.9223 8.0455 8.0455 8.1844 8.1844 8.2483 8.2483 8.3523 8.3523 8.4188 8.4188 8.7564 8.7564 k = 0.4933 0.3002-0.0000 ( 4712 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.2087 -2.2087 -1.8103 -1.8103 3.5516 3.5516 5.0688 5.0688 5.9416 5.9416 6.3513 6.3513 6.4504 6.4504 6.9103 6.9103 7.1122 7.1122 7.9249 7.9249 8.0461 8.0461 8.1859 8.1859 8.2484 8.2484 8.3522 8.3522 8.4188 8.4188 8.7587 8.7587 k = 0.4867 0.3118-0.0000 ( 4724 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.2069 -2.2069 -1.8098 -1.8098 3.5524 3.5524 5.0651 5.0651 5.9427 5.9427 6.3379 6.3379 6.4660 6.4660 6.8553 6.8553 7.1508 7.1508 7.9322 7.9322 8.0479 8.0479 8.1906 8.1906 8.2485 8.2485 8.3520 8.3520 8.4185 8.4185 8.7654 8.7654 k = 0.4800 0.3233-0.0000 ( 4732 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.2039 -2.2039 -1.8089 -1.8089 3.5538 3.5538 5.0589 5.0589 5.9444 5.9444 6.3208 6.3208 6.4867 6.4867 6.7893 6.7893 7.1907 7.1907 7.9432 7.9432 8.0510 8.0510 8.1982 8.1982 8.2488 8.2488 8.3517 8.3517 8.4181 8.4181 8.7765 8.7765 k = 0.4733 0.3349-0.0000 ( 4730 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.1997 -2.1997 -1.8078 -1.8078 3.5557 3.5557 5.0503 5.0503 5.9466 5.9466 6.3016 6.3016 6.5101 6.5101 6.7198 6.7198 7.2269 7.2269 7.9563 7.9563 8.0559 8.0559 8.2089 8.2089 8.2491 8.2491 8.3514 8.3514 8.4175 8.4175 8.7920 8.7920 k = 0.4667 0.3464-0.0000 ( 4730 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.1944 -2.1944 -1.8064 -1.8064 3.5580 3.5580 5.0392 5.0392 5.9491 5.9491 6.2804 6.2804 6.5347 6.5347 6.6513 6.6513 7.2581 7.2581 7.9697 7.9697 8.0628 8.0628 8.2224 8.2224 8.2495 8.2495 8.3510 8.3510 8.4169 8.4169 8.8117 8.8117 k = 0.4600 0.3580-0.0000 ( 4732 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.1879 -2.1879 -1.8048 -1.8048 3.5606 3.5606 5.0258 5.0258 5.9513 5.9513 6.2565 6.2565 6.5550 6.5550 6.5924 6.5924 7.2844 7.2844 7.9819 7.9819 8.0719 8.0719 8.2378 8.2378 8.2505 8.2505 8.3508 8.3508 8.4161 8.4161 8.8353 8.8353 k = 0.4533 0.3695-0.0000 ( 4728 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.1803 -2.1803 -1.8031 -1.8031 3.5633 3.5633 5.0102 5.0102 5.9528 5.9528 6.2288 6.2288 6.5217 6.5217 6.5952 6.5952 7.3064 7.3064 7.9918 7.9918 8.0828 8.0828 8.2481 8.2481 8.2587 8.2587 8.3510 8.3510 8.4155 8.4155 8.8624 8.8624 k = 0.4467 0.3811-0.0000 ( 4724 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.1716 -2.1716 -1.8013 -1.8013 3.5660 3.5660 4.9924 4.9924 5.9527 5.9527 6.1966 6.1966 6.4754 6.4754 6.6219 6.6219 7.3246 7.3246 7.9995 7.9995 8.0947 8.0947 8.2491 8.2491 8.2773 8.2773 8.3521 8.3521 8.4150 8.4150 8.8921 8.8921 k = 0.4400 0.3926-0.0000 ( 4724 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.1619 -2.1619 -1.7996 -1.7996 3.5686 3.5686 4.9726 4.9726 5.9492 5.9492 6.1610 6.1610 6.4395 6.4395 6.6504 6.6504 7.3399 7.3399 8.0054 8.0054 8.1066 8.1066 8.2492 8.2492 8.2962 8.2962 8.3553 8.3553 8.4153 8.4153 8.9239 8.9239 k = 0.4333 0.4041-0.0000 ( 4720 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.1510 -2.1510 -1.7981 -1.7981 3.5708 3.5708 4.9510 4.9510 5.9399 5.9399 6.1258 6.1258 6.4144 6.4144 6.6795 6.6795 7.3527 7.3527 8.0099 8.0099 8.1178 8.1178 8.2490 8.2490 8.3119 8.3119 8.3624 8.3624 8.4173 8.4173 8.9569 8.9569 k = 0.4267 0.4157-0.0000 ( 4720 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.1392 -2.1392 -1.7969 -1.7969 3.5725 3.5725 4.9281 4.9281 5.9217 5.9217 6.0966 6.0966 6.3983 6.3983 6.7088 6.7088 7.3636 7.3636 8.0135 8.0135 8.1276 8.1276 8.2483 8.2483 8.3213 8.3213 8.3734 8.3734 8.4239 8.4239 8.9904 8.9904 k = 0.4200 0.4272-0.0000 ( 4724 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.1264 -2.1264 -1.7961 -1.7961 3.5734 3.5734 4.9041 4.9041 5.8934 5.8934 6.0771 6.0771 6.3891 6.3891 6.7379 6.7379 7.3730 7.3730 8.0164 8.0164 8.1359 8.1359 8.2472 8.2472 8.3256 8.3256 8.3826 8.3826 8.4399 8.4399 9.0235 9.0235 k = 0.4133 0.4388-0.0000 ( 4718 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.1127 -2.1127 -1.7959 -1.7959 3.5734 3.5734 4.8796 4.8796 5.8577 5.8577 6.0667 6.0667 6.3851 6.3851 6.7667 6.7667 7.3811 7.3811 8.0189 8.0189 8.1427 8.1427 8.2457 8.2457 8.3274 8.3274 8.3864 8.3864 8.4663 8.4663 9.0557 9.0557 k = 0.4067 0.4503-0.0000 ( 4722 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -2.0981 -2.0981 -1.7964 -1.7964 3.5723 3.5723 4.8551 4.8551 5.8189 5.8189 6.0624 6.0624 6.3850 6.3850 6.7949 6.7949 7.3883 7.3883 8.0211 8.0211 8.1479 8.1479 8.2437 8.2437 8.3280 8.3280 8.3870 8.3870 8.4995 8.4995 9.0862 9.0862 k = 0.4000 0.4619-0.0000 ( 4720 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -2.0826 -2.0826 -1.7978 -1.7978 3.5699 3.5699 4.8312 4.8312 5.7803 5.7803 6.0615 6.0615 6.3877 6.3877 6.8221 6.8221 7.3945 7.3945 8.0230 8.0230 8.1516 8.1516 8.2413 8.2413 8.3282 8.3282 8.3860 8.3860 8.5372 8.5372 9.1147 9.1147 k = 0.3933 0.4734-0.0000 ( 4718 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -2.0664 -2.0664 -1.8003 -1.8003 3.5664 3.5664 4.8085 4.8085 5.7439 5.7439 6.0627 6.0627 6.3924 6.3924 6.8481 6.8481 7.4001 7.4001 8.0247 8.0247 8.1539 8.1539 8.2384 8.2384 8.3284 8.3284 8.3843 8.3843 8.5781 8.5781 9.1405 9.1405 k = 0.3867 0.4850-0.0000 ( 4716 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -2.0495 -2.0495 -1.8040 -1.8040 3.5616 3.5616 4.7875 4.7875 5.7107 5.7107 6.0650 6.0650 6.3985 6.3985 6.8725 6.8725 7.4050 7.4050 8.0262 8.0262 8.1552 8.1552 8.2351 8.2351 8.3285 8.3285 8.3821 8.3821 8.6219 8.6219 9.1630 9.1630 k = 0.3800 0.4965-0.0000 ( 4714 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -2.0319 -2.0319 -1.8090 -1.8090 3.5557 3.5557 4.7688 4.7688 5.6813 5.6813 6.0679 6.0679 6.4053 6.4053 6.8952 6.8952 7.4094 7.4094 8.0275 8.0275 8.1554 8.1554 8.2315 8.2315 8.3288 8.3288 8.3798 8.3798 8.6679 8.6679 9.1812 9.1812 k = 0.3733 0.5081-0.0000 ( 4714 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -2.0138 -2.0138 -1.8157 -1.8157 3.5490 3.5490 4.7527 4.7527 5.6559 5.6559 6.0712 6.0712 6.4124 6.4124 6.9156 6.9156 7.4132 7.4132 8.0287 8.0287 8.1549 8.1549 8.2277 8.2277 8.3292 8.3292 8.3775 8.3775 8.7159 8.7159 9.1937 9.1937 k = 0.3667 0.5196-0.0000 ( 4712 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1054 -40.1054 -40.0892 -40.0892 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -1.9951 -1.9951 -1.8240 -1.8240 3.5419 3.5419 4.7394 4.7394 5.6346 5.6346 6.0747 6.0747 6.4193 6.4193 6.9336 6.9336 7.4165 7.4165 8.0297 8.0297 8.1537 8.1537 8.2239 8.2239 8.3298 8.3298 8.3752 8.3752 8.7654 8.7654 9.1981 9.1981 k = 0.3600 0.5312-0.0000 ( 4716 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1054 -40.1054 -40.0892 -40.0892 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -1.9759 -1.9759 -1.8342 -1.8342 3.5347 3.5347 4.7290 4.7290 5.6173 5.6173 6.0781 6.0781 6.4254 6.4254 6.9487 6.9487 7.4193 7.4193 8.0307 8.0307 8.1522 8.1522 8.2203 8.2203 8.3304 8.3304 8.3730 8.3730 8.8157 8.8157 9.1919 9.1919 k = 0.3533 0.5427-0.0000 ( 4718 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1054 -40.1054 -40.0892 -40.0892 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -1.9564 -1.9564 -1.8464 -1.8464 3.5281 3.5281 4.7213 4.7213 5.6040 5.6040 6.0812 6.0812 6.4306 6.4306 6.9607 6.9607 7.4215 7.4215 8.0316 8.0316 8.1505 8.1505 8.2170 8.2170 8.3310 8.3310 8.3711 8.3711 8.8657 8.8657 9.1737 9.1737 k = 0.3467 0.5543-0.0000 ( 4722 PWs) bands (ev): -70.4633 -70.4633 -70.4597 -70.4597 -40.1054 -40.1054 -40.0892 -40.0892 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -1.9366 -1.9366 -1.8608 -1.8608 3.5227 3.5227 4.7162 4.7162 5.5946 5.5946 6.0838 6.0838 6.4344 6.4344 6.9694 6.9694 7.4231 7.4231 8.0322 8.0322 8.1490 8.1490 8.2144 8.2144 8.3315 8.3315 8.3697 8.3697 8.9130 8.9130 9.1464 9.1464 k = 0.3400 0.5658-0.0000 ( 4730 PWs) bands (ev): -70.4633 -70.4633 -70.4597 -70.4597 -40.1054 -40.1054 -40.0892 -40.0892 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -1.9166 -1.9166 -1.8775 -1.8775 3.5189 3.5189 4.7134 4.7134 5.5890 5.5890 6.0857 6.0857 6.4367 6.4367 6.9746 6.9746 7.4241 7.4241 8.0327 8.0327 8.1478 8.1478 8.2127 8.2127 8.3319 8.3319 8.3687 8.3687 8.9521 8.9521 9.1179 9.1179 k = 0.3333 0.5774-0.0000 ( 4722 PWs) bands (ev): -70.4633 -70.4633 -70.4597 -70.4597 -40.1054 -40.1054 -40.0892 -40.0892 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -1.8968 -1.8968 -1.8961 -1.8961 3.5176 3.5176 4.7126 4.7126 5.5872 5.5872 6.0864 6.0864 6.4374 6.4374 6.9763 6.9763 7.4244 7.4244 8.0330 8.0330 8.1474 8.1474 8.2121 8.2121 8.3321 8.3321 8.3684 8.3684 8.9691 8.9691 9.1041 9.1041 k = 0.3333 0.5774-0.0000 ( 4722 PWs) bands (ev): -70.4633 -70.4633 -70.4597 -70.4597 -40.1054 -40.1054 -40.0892 -40.0892 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -1.8968 -1.8968 -1.8961 -1.8961 3.5176 3.5176 4.7126 4.7126 5.5872 5.5872 6.0864 6.0864 6.4374 6.4374 6.9763 6.9763 7.4244 7.4244 8.0330 8.0330 8.1474 8.1474 8.2121 8.2121 8.3321 8.3321 8.3684 8.3684 8.9691 8.9691 9.1041 9.1041 k = 0.3265 0.5656-0.0000 ( 4718 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1054 -40.1054 -40.0892 -40.0892 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -1.9183 -1.9183 -1.8758 -1.8758 3.5192 3.5192 4.7133 4.7133 5.5891 5.5891 6.0855 6.0855 6.4367 6.4367 6.9746 6.9746 7.4241 7.4241 8.0327 8.0327 8.1479 8.1479 8.2128 8.2128 8.3319 8.3319 8.3687 8.3687 8.9527 8.9527 9.1175 9.1175 k = 0.3197 0.5538-0.0000 ( 4724 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0892 -40.0892 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -1.9428 -1.9428 -1.8553 -1.8553 3.5244 3.5244 4.7153 4.7153 5.5946 5.5946 6.0824 6.0824 6.4346 6.4346 6.9698 6.9698 7.4229 7.4229 8.0319 8.0319 8.1498 8.1498 8.2149 8.2149 8.3314 8.3314 8.3698 8.3698 8.9178 8.9178 9.1431 9.1431 k = 0.3129 0.5420-0.0000 ( 4716 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1054 -40.1054 -40.0892 -40.0892 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -1.9698 -1.9698 -1.8348 -1.8348 3.5338 3.5338 4.7181 4.7181 5.6035 5.6035 6.0764 6.0764 6.4316 6.4316 6.9623 6.9623 7.4210 7.4210 8.0306 8.0306 8.1532 8.1532 8.2183 8.2183 8.3308 8.3308 8.3718 8.3718 8.8791 8.8791 9.1683 9.1683 k = 0.3061 0.5302-0.0000 ( 4714 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1054 -40.1054 -40.0892 -40.0892 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -1.9994 -1.9994 -1.8145 -1.8145 3.5478 3.5478 4.7214 4.7214 5.6157 5.6157 6.0670 6.0670 6.4281 6.4281 6.9530 6.9530 7.4183 7.4183 8.0286 8.0286 8.1582 8.1582 8.2228 8.2228 8.3301 8.3301 8.3743 8.3743 8.8424 8.8424 9.1911 9.1911 k = 0.2993 0.5184-0.0000 ( 4712 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -2.0315 -2.0315 -1.7946 -1.7946 3.5666 3.5666 4.7247 4.7247 5.6308 5.6308 6.0535 6.0535 6.4248 6.4248 6.9426 6.9426 7.4147 7.4147 8.0262 8.0262 8.1649 8.1649 8.2280 8.2280 8.3293 8.3293 8.3774 8.3774 8.8100 8.8100 9.2130 9.2130 k = 0.2925 0.5067-0.0000 ( 4712 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -2.0660 -2.0660 -1.7750 -1.7750 3.5906 3.5906 4.7280 4.7280 5.6484 5.6484 6.0356 6.0356 6.4222 6.4222 6.9322 6.9322 7.4103 7.4103 8.0234 8.0234 8.1731 8.1731 8.2334 8.2334 8.3285 8.3285 8.3810 8.3810 8.7834 8.7834 9.2355 9.2355 k = 0.2857 0.4949-0.0000 ( 4712 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -2.1029 -2.1029 -1.7559 -1.7559 3.6200 3.6200 4.7307 4.7307 5.6680 5.6680 6.0134 6.0134 6.4208 6.4208 6.9227 6.9227 7.4050 7.4050 8.0203 8.0203 8.1828 8.1828 8.2382 8.2382 8.3280 8.3280 8.3847 8.3847 8.7633 8.7633 9.2597 9.2597 k = 0.2789 0.4831-0.0000 ( 4718 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -2.1420 -2.1420 -1.7373 -1.7373 3.6549 3.6549 4.7328 4.7328 5.6886 5.6886 5.9874 5.9874 6.4210 6.4210 6.9149 6.9149 7.3989 7.3989 8.0172 8.0172 8.1938 8.1938 8.2420 8.2420 8.3276 8.3276 8.3883 8.3883 8.7503 8.7503 9.2859 9.2859 k = 0.2721 0.4713-0.0000 ( 4716 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.1832 -2.1832 -1.7193 -1.7193 3.6954 3.6954 4.7339 4.7339 5.7091 5.7091 5.9594 5.9594 6.4229 6.4229 6.9094 6.9094 7.3920 7.3920 8.0142 8.0142 8.2059 8.2059 8.2444 8.2444 8.3273 8.3273 8.3915 8.3915 8.7445 8.7445 9.3142 9.3142 k = 0.2653 0.4595-0.0000 ( 4710 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.2263 -2.2263 -1.7021 -1.7021 3.7414 3.7414 4.7338 4.7338 5.7268 5.7268 5.9322 5.9322 6.4266 6.4266 6.9068 6.9068 7.3843 7.3843 8.0114 8.0114 8.2186 8.2186 8.2455 8.2455 8.3272 8.3272 8.3943 8.3943 8.7460 8.7460 9.3443 9.3443 k = 0.2585 0.4477-0.0000 ( 4712 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.2710 -2.2710 -1.6856 -1.6856 3.7928 3.7928 4.7322 4.7322 5.7371 5.7371 5.9112 5.9112 6.4320 6.4320 6.9074 6.9074 7.3758 7.3758 8.0089 8.0089 8.2303 8.2303 8.2466 8.2466 8.3270 8.3270 8.3963 8.3963 8.7541 8.7541 9.3762 9.3762 k = 0.2517 0.4360-0.0000 ( 4708 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.3174 -2.3174 -1.6699 -1.6699 3.8496 3.8496 4.7286 4.7286 5.7342 5.7342 5.9032 5.9032 6.4391 6.4391 6.9114 6.9114 7.3667 7.3667 8.0068 8.0068 8.2344 8.2344 8.2542 8.2542 8.3271 8.3271 8.3981 8.3981 8.7682 8.7682 9.4096 9.4096 k = 0.2449 0.4242-0.0000 ( 4712 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7583 -38.7583 -2.3650 -2.3650 -1.6551 -1.6551 3.9113 3.9113 4.7230 4.7230 5.7166 5.7166 5.9108 5.9108 6.4478 6.4478 6.9188 6.9188 7.3570 7.3570 8.0052 8.0052 8.2310 8.2310 8.2680 8.2680 8.3275 8.3275 8.3995 8.3995 8.7871 8.7871 9.4444 9.4444 k = 0.2381 0.4124-0.0000 ( 4712 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7635 -38.7635 -38.7583 -38.7583 -2.4137 -2.4137 -1.6412 -1.6412 3.9776 3.9776 4.7149 4.7149 5.6897 5.6897 5.9294 5.9294 6.4581 6.4581 6.9296 6.9296 7.3468 7.3468 8.0041 8.0041 8.2247 8.2247 8.2826 8.2826 8.3289 8.3289 8.4012 8.4012 8.8098 8.8098 9.4804 9.4804 k = 0.2313 0.4006-0.0000 ( 4724 PWs) bands (ev): -70.4633 -70.4633 -70.4597 -70.4597 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7635 -38.7635 -38.7583 -38.7583 -2.4634 -2.4634 -1.6282 -1.6282 4.0480 4.0480 4.7042 4.7042 5.6598 5.6598 5.9538 5.9538 6.4701 6.4701 6.9435 6.9435 7.3363 7.3363 8.0035 8.0035 8.2166 8.2166 8.2960 8.2960 8.3325 8.3325 8.4034 8.4034 8.8353 8.8353 9.5175 9.5175 k = 0.2245 0.3888-0.0000 ( 4728 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7635 -38.7635 -38.7583 -38.7583 -2.5137 -2.5137 -1.6163 -1.6163 4.1213 4.1213 4.6914 4.6914 5.6307 5.6307 5.9811 5.9811 6.4838 6.4838 6.9605 6.9605 7.3256 7.3256 8.0035 8.0035 8.2072 8.2072 8.3058 8.3058 8.3398 8.3398 8.4068 8.4068 8.8628 8.8628 9.5556 9.5556 k = 0.2177 0.3770-0.0000 ( 4720 PWs) bands (ev): -70.4633 -70.4633 -70.4597 -70.4597 -40.1054 -40.1054 -40.0890 -40.0890 -38.9029 -38.9029 -38.8746 -38.8746 -38.7634 -38.7634 -38.7583 -38.7583 -2.5645 -2.5645 -1.6053 -1.6053 4.1959 4.1959 4.6777 4.6777 5.6050 5.6050 6.0093 6.0093 6.4993 6.4993 6.9802 6.9802 7.3149 7.3149 8.0040 8.0040 8.1970 8.1970 8.3114 8.3114 8.3508 8.3508 8.4122 8.4122 8.8915 8.8915 9.5948 9.5948 k = 0.2109 0.3653-0.0000 ( 4716 PWs) bands (ev): -70.4633 -70.4633 -70.4597 -70.4597 -40.1053 -40.1053 -40.0890 -40.0890 -38.9029 -38.9029 -38.8746 -38.8746 -38.7634 -38.7634 -38.7582 -38.7582 -2.6156 -2.6156 -1.5953 -1.5953 4.2683 4.2683 4.6660 4.6660 5.5838 5.5838 6.0378 6.0378 6.5167 6.5167 7.0024 7.0024 7.3044 7.3044 8.0051 8.0051 8.1860 8.1860 8.3143 8.3143 8.3623 8.3623 8.4208 8.4208 8.9208 8.9208 9.6347 9.6347 k = 0.2041 0.3535-0.0000 ( 4724 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0890 -40.0890 -38.9029 -38.9029 -38.8746 -38.8746 -38.7634 -38.7634 -38.7582 -38.7582 -2.6668 -2.6668 -1.5863 -1.5863 4.3312 4.3312 4.6634 4.6634 5.5679 5.5679 6.0657 6.0657 6.5361 6.5361 7.0267 7.0267 7.2942 7.2942 8.0067 8.0067 8.1745 8.1745 8.3162 8.3162 8.3717 8.3717 8.4340 8.4340 8.9502 8.9502 9.6753 9.6753 k = 0.1973 0.3417-0.0000 ( 4720 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0890 -40.0890 -38.9029 -38.9029 -38.8746 -38.8746 -38.7633 -38.7633 -38.7582 -38.7582 -2.7179 -2.7179 -1.5783 -1.5783 4.3727 4.3727 4.6820 4.6820 5.5576 5.5576 6.0926 6.0926 6.5576 6.5576 7.0529 7.0529 7.2847 7.2847 8.0089 8.0089 8.1625 8.1625 8.3178 8.3178 8.3781 8.3781 8.4516 8.4516 8.9793 8.9793 9.7163 9.7163 k = 0.1905 0.3299-0.0000 ( 4710 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0890 -40.0890 -38.9029 -38.9029 -38.8746 -38.8746 -38.7633 -38.7633 -38.7582 -38.7582 -2.7687 -2.7687 -1.5713 -1.5713 4.3833 4.3833 4.7314 4.7314 5.5526 5.5526 6.1184 6.1184 6.5813 6.5813 7.0806 7.0806 7.2763 7.2763 8.0117 8.0117 8.1504 8.1504 8.3195 8.3195 8.3824 8.3824 8.4727 8.4727 9.0077 9.0077 9.7574 9.7574 k = 0.1837 0.3181-0.0000 ( 4710 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1053 -40.1053 -40.0890 -40.0890 -38.9029 -38.9029 -38.8746 -38.8746 -38.7633 -38.7633 -38.7582 -38.7582 -2.8191 -2.8191 -1.5653 -1.5653 4.3676 4.3676 4.8073 4.8073 5.5527 5.5527 6.1426 6.1426 6.6071 6.6071 7.1092 7.1092 7.2693 7.2693 8.0150 8.0150 8.1381 8.1381 8.3212 8.3212 8.3853 8.3853 8.4963 8.4963 9.0353 9.0353 9.7983 9.7983 k = 0.1769 0.3063-0.0000 ( 4718 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0889 -40.0889 -38.9029 -38.9029 -38.8746 -38.8746 -38.7632 -38.7632 -38.7581 -38.7581 -2.8688 -2.8688 -1.5602 -1.5602 4.3361 4.3361 4.8996 4.8996 5.5573 5.5573 6.1652 6.1652 6.6350 6.6350 7.1378 7.1378 7.2647 7.2647 8.0190 8.0190 8.1256 8.1256 8.3230 8.3230 8.3874 8.3874 8.5217 8.5217 9.0619 9.0619 9.8387 9.8387 k = 0.1701 0.2946-0.0000 ( 4720 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0889 -40.0889 -38.9029 -38.9029 -38.8746 -38.8746 -38.7632 -38.7632 -38.7581 -38.7581 -2.9177 -2.9177 -1.5560 -1.5560 4.2958 4.2958 5.0016 5.0016 5.5658 5.5658 6.1860 6.1860 6.6651 6.6651 7.1649 7.1649 7.2642 7.2642 8.0235 8.0235 8.1133 8.1133 8.3251 8.3251 8.3891 8.3891 8.5487 8.5487 9.0873 9.0873 9.8783 9.8783 k = 0.1633 0.2828-0.0000 ( 4720 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0889 -40.0889 -38.9029 -38.9029 -38.8746 -38.8746 -38.7631 -38.7631 -38.7581 -38.7581 -2.9657 -2.9657 -1.5526 -1.5526 4.2506 4.2506 5.1098 5.1098 5.5775 5.5775 6.2050 6.2050 6.6970 6.6970 7.1873 7.1873 7.2707 7.2707 8.0287 8.0287 8.1010 8.1010 8.3275 8.3275 8.3904 8.3904 8.5771 8.5771 9.1115 9.1115 9.9168 9.9168 k = 0.1565 0.2710-0.0000 ( 4726 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0889 -40.0889 -38.9029 -38.9029 -38.8746 -38.8746 -38.7631 -38.7631 -38.7580 -38.7580 -3.0127 -3.0127 -1.5500 -1.5500 4.2025 4.2025 5.2221 5.2221 5.5919 5.5919 6.2222 6.2222 6.7307 6.7307 7.2021 7.2021 7.2873 7.2873 8.0346 8.0346 8.0888 8.0888 8.3300 8.3300 8.3915 8.3915 8.6068 8.6068 9.1345 9.1345 9.9541 9.9541 k = 0.1497 0.2592-0.0000 ( 4726 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0889 -40.0889 -38.9029 -38.9029 -38.8746 -38.8746 -38.7631 -38.7631 -38.7580 -38.7580 -3.0584 -3.0584 -1.5481 -1.5481 4.1529 4.1529 5.3368 5.3368 5.6090 5.6090 6.2376 6.2376 6.7659 6.7659 7.2103 7.2103 7.3128 7.3128 8.0414 8.0414 8.0769 8.0769 8.3327 8.3327 8.3924 8.3924 8.6377 8.6377 9.1561 9.1561 9.9903 9.9903 k = 0.1429 0.2474-0.0000 ( 4725 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0889 -40.0889 -38.9029 -38.9029 -38.8745 -38.8745 -38.7630 -38.7630 -38.7580 -38.7580 -3.1029 -3.1029 -1.5470 -1.5470 4.1029 4.1029 5.4519 5.4519 5.6292 5.6292 6.2514 6.2514 6.8020 6.8020 7.2160 7.2160 7.3436 7.3436 8.0490 8.0490 8.0652 8.0652 8.3357 8.3357 8.3933 8.3933 8.6700 8.6700 9.1764 9.1764 10.0254 10.0254 k = 0.1361 0.2357-0.0000 ( 4721 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0888 -40.0888 -38.9029 -38.9029 -38.8745 -38.8745 -38.7630 -38.7630 -38.7580 -38.7580 -3.1459 -3.1459 -1.5464 -1.5464 4.0530 4.0530 5.5603 5.5603 5.6581 5.6581 6.2635 6.2635 6.8387 6.8387 7.2218 7.2218 7.3769 7.3769 8.0538 8.0538 8.0575 8.0575 8.3389 8.3389 8.3942 8.3942 8.7038 8.7038 9.1954 9.1954 10.0599 10.0599 k = 0.1293 0.2239-0.0000 ( 4719 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0888 -40.0888 -38.9029 -38.9029 -38.8745 -38.8745 -38.7629 -38.7629 -38.7579 -38.7579 -3.1874 -3.1874 -1.5464 -1.5464 4.0038 4.0038 5.6315 5.6315 5.7253 5.7253 6.2743 6.2743 6.8752 6.8752 7.2294 7.2294 7.4112 7.4112 8.0428 8.0428 8.0670 8.0670 8.3423 8.3423 8.3950 8.3950 8.7391 8.7391 9.2132 9.2132 10.0943 10.0943 k = 0.1224 0.2121-0.0000 ( 4715 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0888 -40.0888 -38.9029 -38.9029 -38.8745 -38.8745 -38.7629 -38.7629 -38.7579 -38.7579 -3.2273 -3.2273 -1.5469 -1.5469 3.9557 3.9557 5.6620 5.6620 5.8328 5.8328 6.2837 6.2837 6.9108 6.9108 7.2398 7.2398 7.4457 7.4457 8.0322 8.0322 8.0775 8.0775 8.3459 8.3459 8.3959 8.3959 8.7764 8.7764 9.2298 9.2298 10.1289 10.1289 k = 0.1156 0.2003-0.0000 ( 4715 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0888 -40.0888 -38.9029 -38.9029 -38.8745 -38.8745 -38.7629 -38.7629 -38.7579 -38.7579 -3.2654 -3.2654 -1.5478 -1.5478 3.9090 3.9090 5.6832 5.6832 5.9483 5.9483 6.2921 6.2921 6.9450 6.9450 7.2534 7.2534 7.4798 7.4798 8.0219 8.0219 8.0889 8.0889 8.3495 8.3495 8.3969 8.3969 8.8159 8.8159 9.2452 9.2452 10.1645 10.1645 k = 0.1088 0.1885-0.0000 ( 4707 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0888 -40.0888 -38.9029 -38.9029 -38.8745 -38.8745 -38.7628 -38.7628 -38.7579 -38.7579 -3.3018 -3.3018 -1.5491 -1.5491 3.8641 3.8641 5.7015 5.7015 6.0638 6.0638 6.2997 6.2997 6.9773 6.9773 7.2706 7.2706 7.5132 7.5132 8.0121 8.0121 8.1010 8.1010 8.3533 8.3533 8.3981 8.3981 8.8582 8.8582 9.2597 9.2597 10.2018 10.2018 k = 0.1020 0.1767-0.0000 ( 4711 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0888 -40.0888 -38.9029 -38.9029 -38.8745 -38.8745 -38.7628 -38.7628 -38.7578 -38.7578 -3.3363 -3.3363 -1.5507 -1.5507 3.8210 3.8210 5.7183 5.7183 6.1766 6.1766 6.3068 6.3068 7.0077 7.0077 7.2912 7.2912 7.5454 7.5454 8.0028 8.0028 8.1134 8.1134 8.3569 8.3569 8.3995 8.3995 8.9038 8.9038 9.2733 9.2733 10.2414 10.2414 k = 0.0952 0.1650-0.0000 ( 4709 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0887 -40.0887 -38.9029 -38.9029 -38.8745 -38.8745 -38.7628 -38.7628 -38.7578 -38.7578 -3.3689 -3.3689 -1.5525 -1.5525 3.7801 3.7801 5.7337 5.7337 6.2812 6.2812 6.3174 6.3174 7.0367 7.0367 7.3148 7.3148 7.5762 7.5762 7.9940 7.9940 8.1258 8.1258 8.3605 8.3605 8.4011 8.4011 8.9534 8.9534 9.2862 9.2862 10.2841 10.2841 k = 0.0884 0.1532-0.0000 ( 4709 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0887 -40.0887 -38.9029 -38.9029 -38.8745 -38.8745 -38.7627 -38.7627 -38.7578 -38.7578 -3.3995 -3.3995 -1.5544 -1.5544 3.7415 3.7415 5.7478 5.7478 6.3138 6.3138 6.3938 6.3938 7.0654 7.0654 7.3406 7.3406 7.6055 7.6055 7.9857 7.9857 8.1375 8.1375 8.3636 8.3636 8.4031 8.4031 9.0076 9.0076 9.2987 9.2987 10.3304 10.3304 k = 0.0816 0.1414-0.0000 ( 4703 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1053 -40.1053 -40.0887 -40.0887 -38.9029 -38.9029 -38.8745 -38.8745 -38.7627 -38.7627 -38.7578 -38.7578 -3.4280 -3.4280 -1.5565 -1.5565 3.7054 3.7054 5.7605 5.7605 6.3199 6.3199 6.4887 6.4887 7.0953 7.0953 7.3674 7.3674 7.6331 7.6331 7.9779 7.9779 8.1479 8.1479 8.3663 8.3663 8.4053 8.4053 9.0667 9.0667 9.3116 9.3116 10.3809 10.3809 k = 0.0748 0.1296-0.0000 ( 4711 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1052 -40.1052 -40.0887 -40.0887 -38.9029 -38.9029 -38.8744 -38.8744 -38.7627 -38.7627 -38.7577 -38.7577 -3.4545 -3.4545 -1.5586 -1.5586 3.6717 3.6717 5.7720 5.7720 6.3247 6.3247 6.5751 6.5751 7.1281 7.1281 7.3942 7.3942 7.6591 7.6591 7.9707 7.9707 8.1560 8.1560 8.3683 8.3683 8.4076 8.4076 9.1300 9.1300 9.3264 9.3264 10.4359 10.4359 k = 0.0680 0.1178-0.0000 ( 4709 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1052 -40.1052 -40.0887 -40.0887 -38.9029 -38.9029 -38.8744 -38.8744 -38.7626 -38.7626 -38.7577 -38.7577 -3.4787 -3.4787 -1.5608 -1.5608 3.6408 3.6408 5.7821 5.7821 6.3289 6.3289 6.6505 6.6505 7.1654 7.1654 7.4202 7.4202 7.6838 7.6838 7.9641 7.9641 8.1614 8.1614 8.3697 8.3697 8.4098 8.4098 9.1942 9.1942 9.3471 9.3471 10.4955 10.4955 k = 0.0612 0.1060-0.0000 ( 4713 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1052 -40.1052 -40.0887 -40.0887 -38.9029 -38.9029 -38.8744 -38.8744 -38.7626 -38.7626 -38.7577 -38.7577 -3.5008 -3.5008 -1.5629 -1.5629 3.6125 3.6125 5.7910 5.7910 6.3328 6.3328 6.7133 6.7133 7.2081 7.2081 7.4446 7.4446 7.7073 7.7073 7.9582 7.9582 8.1632 8.1632 8.3705 8.3705 8.4115 8.4115 9.2494 9.2494 9.3835 9.3835 10.5598 10.5598 k = 0.0544 0.0943-0.0000 ( 4713 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1052 -40.1052 -40.0887 -40.0887 -38.9029 -38.9029 -38.8744 -38.8744 -38.7626 -38.7626 -38.7577 -38.7577 -3.5207 -3.5207 -1.5648 -1.5648 3.5871 3.5871 5.7987 5.7987 6.3364 6.3364 6.7635 6.7635 7.2559 7.2559 7.4668 7.4668 7.7301 7.7301 7.9530 7.9530 8.1611 8.1611 8.3708 8.3708 8.4127 8.4127 9.2844 9.2844 9.4466 9.4466 10.6283 10.6283 k = 0.0476 0.0825-0.0000 ( 4713 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1052 -40.1052 -40.0887 -40.0887 -38.9029 -38.9029 -38.8744 -38.8744 -38.7626 -38.7626 -38.7577 -38.7577 -3.5383 -3.5383 -1.5667 -1.5667 3.5645 3.5645 5.8052 5.8052 6.3396 6.3396 6.8022 6.8022 7.3070 7.3070 7.4865 7.4865 7.7526 7.7526 7.9485 7.9485 8.1546 8.1546 8.3706 8.3706 8.4133 8.4133 9.3031 9.3031 9.5317 9.5317 10.7002 10.7002 k = 0.0408 0.0707-0.0000 ( 4715 PWs) bands (ev): -70.4634 -70.4634 -70.4597 -70.4597 -40.1052 -40.1052 -40.0887 -40.0887 -38.9029 -38.9029 -38.8744 -38.8744 -38.7625 -38.7625 -38.7577 -38.7577 -3.5536 -3.5536 -1.5684 -1.5684 3.5448 3.5448 5.8107 5.8107 6.3425 6.3425 6.8311 6.8311 7.3584 7.3584 7.5035 7.5035 7.7755 7.7755 7.9448 7.9448 8.1435 8.1435 8.3703 8.3703 8.4135 8.4135 9.3140 9.3140 9.6282 9.6282 10.7739 10.7739 k = 0.0340 0.0589-0.0000 ( 4719 PWs) bands (ev): -70.4634 -70.4634 -70.4598 -70.4598 -40.1052 -40.1052 -40.0886 -40.0886 -38.9029 -38.9029 -38.8744 -38.8744 -38.7625 -38.7625 -38.7577 -38.7577 -3.5666 -3.5666 -1.5699 -1.5699 3.5281 3.5281 5.8151 5.8151 6.3451 6.3451 6.8523 6.8523 7.4073 7.4073 7.5178 7.5178 7.7993 7.7993 7.9420 7.9420 8.1278 8.1278 8.3697 8.3697 8.4132 8.4132 9.3212 9.3212 9.7295 9.7295 10.8471 10.8471 k = 0.0272 0.0471-0.0000 ( 4731 PWs) bands (ev): -70.4634 -70.4634 -70.4598 -70.4598 -40.1052 -40.1052 -40.0886 -40.0886 -38.9029 -38.9029 -38.8744 -38.8744 -38.7625 -38.7625 -38.7576 -38.7576 -3.5772 -3.5772 -1.5711 -1.5711 3.5144 3.5144 5.8187 5.8187 6.3472 6.3472 6.8676 6.8676 7.4506 7.4506 7.5293 7.5293 7.8242 7.8242 7.9404 7.9404 8.1077 8.1077 8.3691 8.3691 8.4128 8.4128 9.3263 9.3263 9.8300 9.8300 10.9159 10.9159 k = 0.0204 0.0353-0.0000 ( 4735 PWs) bands (ev): -70.4634 -70.4634 -70.4598 -70.4598 -40.1052 -40.1052 -40.0886 -40.0886 -38.9029 -38.9029 -38.8744 -38.8744 -38.7625 -38.7625 -38.7576 -38.7576 -3.5855 -3.5855 -1.5721 -1.5721 3.5037 3.5037 5.8213 5.8213 6.3489 6.3489 6.8784 6.8784 7.4860 7.4860 7.5382 7.5382 7.8497 7.8497 7.9405 7.9405 8.0839 8.0839 8.3686 8.3686 8.4123 8.4123 9.3299 9.3299 9.9233 9.9233 10.9748 10.9748 k = 0.0136 0.0236-0.0000 ( 4755 PWs) bands (ev): -70.4634 -70.4634 -70.4598 -70.4598 -40.1052 -40.1052 -40.0886 -40.0886 -38.9029 -38.9029 -38.8744 -38.8744 -38.7625 -38.7625 -38.7576 -38.7576 -3.5915 -3.5915 -1.5728 -1.5728 3.4960 3.4960 5.8232 5.8232 6.3501 6.3501 6.8855 6.8855 7.5120 7.5120 7.5444 7.5444 7.8734 7.8734 7.9438 7.9438 8.0581 8.0581 8.3681 8.3681 8.4118 8.4118 9.3322 9.3322 10.0013 10.0013 11.0182 11.0182 k = 0.0068 0.0118-0.0000 ( 4755 PWs) bands (ev): -70.4634 -70.4634 -70.4598 -70.4598 -40.1052 -40.1052 -40.0886 -40.0886 -38.9029 -38.9029 -38.8744 -38.8744 -38.7625 -38.7625 -38.7576 -38.7576 -3.5950 -3.5950 -1.5733 -1.5733 3.4914 3.4914 5.8243 5.8243 6.3509 6.3509 6.8895 6.8895 7.5277 7.5277 7.5482 7.5482 7.8903 7.8903 7.9520 7.9520 8.0339 8.0339 8.3679 8.3679 8.4116 8.4116 9.3336 9.3336 10.0541 10.0541 11.0430 11.0430 k = 0.0000 0.0000 0.0000 ( 4755 PWs) bands (ev): -70.4634 -70.4634 -70.4598 -70.4598 -40.1052 -40.1052 -40.0886 -40.0886 -38.9029 -38.9029 -38.8744 -38.8744 -38.7625 -38.7625 -38.7576 -38.7576 -3.5962 -3.5962 -1.5734 -1.5734 3.4899 3.4899 5.8247 5.8247 6.3511 6.3511 6.8908 6.8908 7.5330 7.5330 7.5495 7.5495 7.8961 7.8961 7.9585 7.9585 8.0219 8.0219 8.3678 8.3678 8.4115 8.4115 9.3340 9.3340 10.0730 10.0730 11.0507 11.0507 k = 0.0000 0.0000 0.0000 ( 4755 PWs) bands (ev): -70.4634 -70.4634 -70.4598 -70.4598 -40.1052 -40.1052 -40.0886 -40.0886 -38.9029 -38.9029 -38.8744 -38.8744 -38.7625 -38.7625 -38.7576 -38.7576 -3.5962 -3.5962 -1.5734 -1.5734 3.4899 3.4899 5.8247 5.8247 6.3511 6.3511 6.8908 6.8908 7.5330 7.5330 7.5495 7.5495 7.8961 7.8961 7.9585 7.9585 8.0219 8.0219 8.3678 8.3678 8.4115 8.4115 9.3340 9.3340 10.0730 10.0730 11.0507 11.0507 k = 0.0000 0.0000 0.0135 ( 4755 PWs) bands (ev): -70.4634 -70.4634 -70.4598 -70.4598 -40.1052 -40.1052 -40.0886 -40.0886 -38.9028 -38.9028 -38.8744 -38.8744 -38.7625 -38.7625 -38.7576 -38.7576 -3.5950 -3.5950 -1.5765 -1.5765 3.4950 3.4950 5.8260 5.8260 6.3521 6.3521 6.8916 6.8916 7.5336 7.5336 7.5501 7.5501 7.8942 7.8942 7.9164 7.9164 8.0592 8.0592 8.3709 8.3709 8.4094 8.4094 9.3307 9.3307 10.0769 10.0769 11.0495 11.0495 k = 0.0000 0.0000 0.0271 ( 4755 PWs) bands (ev): -70.4634 -70.4634 -70.4598 -70.4598 -40.1052 -40.1052 -40.0887 -40.0887 -38.9028 -38.9028 -38.8745 -38.8745 -38.7625 -38.7625 -38.7577 -38.7577 -3.5912 -3.5912 -1.5859 -1.5859 3.5102 3.5102 5.8298 5.8298 6.3551 6.3551 6.8940 6.8940 7.5353 7.5353 7.5518 7.5518 7.8502 7.8502 7.8884 7.8884 8.1098 8.1098 8.3811 8.3811 8.4032 8.4032 9.3206 9.3206 10.0884 10.0884 11.0458 11.0458 k = 0.0000 0.0000 0.0406 ( 4755 PWs) bands (ev): -70.4634 -70.4634 -70.4598 -70.4598 -40.1051 -40.1051 -40.0888 -40.0888 -38.9026 -38.9026 -38.8746 -38.8746 -38.7624 -38.7624 -38.7577 -38.7577 -3.5850 -3.5850 -1.6012 -1.6012 3.5353 3.5353 5.8363 5.8363 6.3601 6.3601 6.8978 6.8978 7.5382 7.5382 7.5547 7.5547 7.7798 7.7798 7.8788 7.8788 8.1520 8.1520 8.3932 8.3932 8.4003 8.4003 9.3042 9.3042 10.1074 10.1074 11.0398 11.0398 k = 0.0000 0.0000 0.0542 ( 4743 PWs) bands (ev): -70.4634 -70.4634 -70.4599 -70.4599 -40.1050 -40.1050 -40.0889 -40.0889 -38.9025 -38.9025 -38.8748 -38.8748 -38.7624 -38.7624 -38.7577 -38.7577 -3.5762 -3.5762 -1.6224 -1.6224 3.5702 3.5702 5.8454 5.8454 6.3672 6.3672 6.9029 6.9029 7.5422 7.5422 7.5588 7.5588 7.7075 7.7075 7.8654 7.8654 8.1817 8.1817 8.3799 8.3799 8.4299 8.4299 9.2816 9.2816 10.1333 10.1333 10.9664 10.9664 k = 0.0000 0.0000 0.0677 ( 4713 PWs) bands (ev): -70.4633 -70.4633 -70.4598 -70.4598 -40.1048 -40.1048 -40.0890 -40.0890 -38.9022 -38.9022 -38.8751 -38.8751 -38.7624 -38.7624 -38.7577 -38.7577 -3.5649 -3.5649 -1.6492 -1.6492 3.6145 3.6145 5.8571 5.8571 6.3762 6.3762 6.9091 6.9091 7.5474 7.5474 7.5642 7.5642 7.6344 7.6344 7.8482 7.8482 8.1990 8.1990 8.3637 8.3637 8.4684 8.4684 9.2537 9.2537 10.1657 10.1657 10.8244 10.8244 k = 0.0000 0.0000 0.0813 ( 4701 PWs) bands (ev): -70.4633 -70.4633 -70.4598 -70.4598 -40.1047 -40.1047 -40.0892 -40.0892 -38.9020 -38.9020 -38.8754 -38.8754 -38.7623 -38.7623 -38.7578 -38.7578 -3.5512 -3.5512 -1.6812 -1.6812 3.6678 3.6678 5.8714 5.8714 6.3872 6.3872 6.9160 6.9160 7.5537 7.5537 7.5612 7.5612 7.5706 7.5706 7.8274 7.8274 8.2066 8.2066 8.3451 8.3451 8.5120 8.5120 9.2204 9.2204 10.2039 10.2039 10.6853 10.6853 k = 0.0000 0.0000 0.0948 ( 4701 PWs) bands (ev): -70.4632 -70.4632 -70.4599 -70.4599 -40.1045 -40.1045 -40.0893 -40.0893 -38.9016 -38.9016 -38.8757 -38.8757 -38.7623 -38.7623 -38.7578 -38.7578 -3.5350 -3.5350 -1.7180 -1.7180 3.7295 3.7295 5.8883 5.8883 6.4001 6.4001 6.9231 6.9231 7.4884 7.4884 7.5608 7.5608 7.5781 7.5781 7.8029 7.8029 8.2073 8.2073 8.3247 8.3247 8.5566 8.5566 9.1822 9.1822 10.2473 10.2473 10.5507 10.5507 k = 0.0000 0.0000 0.1083 ( 4701 PWs) bands (ev): -70.4632 -70.4632 -70.4599 -70.4599 -40.1042 -40.1042 -40.0896 -40.0896 -38.9013 -38.9013 -38.8761 -38.8761 -38.7622 -38.7622 -38.7579 -38.7579 -3.5164 -3.5164 -1.7592 -1.7592 3.7993 3.7993 5.9078 5.9078 6.4150 6.4150 6.9294 6.9294 7.4170 7.4170 7.5690 7.5690 7.5867 7.5867 7.7750 7.7750 8.2034 8.2034 8.3030 8.3030 8.5983 8.5983 9.1402 9.1402 10.2953 10.2953 10.4225 10.4225 k = 0.0000 0.0000 0.1219 ( 4695 PWs) bands (ev): -70.4631 -70.4631 -70.4600 -70.4600 -40.1040 -40.1040 -40.0898 -40.0898 -38.9009 -38.9009 -38.8765 -38.8765 -38.7621 -38.7621 -38.7580 -38.7580 -3.4953 -3.4953 -1.8044 -1.8044 3.8766 3.8766 5.9301 5.9301 6.4318 6.4318 6.9336 6.9336 7.3484 7.3484 7.5779 7.5779 7.5963 7.5963 7.7442 7.7442 8.1961 8.1961 8.2804 8.2804 8.6341 8.6341 9.0947 9.0947 10.3031 10.3031 10.3472 10.3472 k = 0.0000 0.0000 0.1354 ( 4701 PWs) bands (ev): -70.4631 -70.4631 -70.4600 -70.4600 -40.1037 -40.1037 -40.0901 -40.0901 -38.9004 -38.9004 -38.8770 -38.8770 -38.7621 -38.7621 -38.7581 -38.7581 -3.4719 -3.4719 -1.8530 -1.8530 3.9609 3.9609 5.9550 5.9550 6.4505 6.4505 6.9331 6.9331 7.2845 7.2845 7.5873 7.5873 7.6070 7.6070 7.7109 7.7109 8.1863 8.1863 8.2571 8.2571 8.6607 8.6607 9.0462 9.0462 10.1953 10.1953 10.4024 10.4024 k = 0.0000 0.0000 0.1490 ( 4714 PWs) bands (ev): -70.4630 -70.4630 -70.4601 -70.4601 -40.1034 -40.1034 -40.0904 -40.0904 -38.8999 -38.8999 -38.8775 -38.8775 -38.7620 -38.7620 -38.7581 -38.7581 -3.4460 -3.4460 -1.9047 -1.9047 4.0514 4.0514 5.9826 5.9826 6.4711 6.4711 6.9242 6.9242 7.2289 7.2289 7.5958 7.5958 7.6187 7.6187 7.6766 7.6766 8.1744 8.1744 8.2335 8.2335 8.6752 8.6752 8.9952 8.9952 10.1023 10.1023 10.4605 10.4605 k = 0.0000 0.0000 0.1625 ( 4714 PWs) bands (ev): -70.4630 -70.4630 -70.4602 -70.4602 -40.1031 -40.1031 -40.0907 -40.0907 -38.8994 -38.8994 -38.8781 -38.8781 -38.7619 -38.7619 -38.7582 -38.7582 -3.4178 -3.4178 -1.9590 -1.9590 4.1477 4.1477 6.0131 6.0131 6.4935 6.4935 6.9021 6.9021 7.1860 7.1860 7.5974 7.5974 7.6315 7.6315 7.6479 7.6479 8.1608 8.1608 8.2097 8.2097 8.6751 8.6751 8.9423 8.9423 10.0271 10.0271 10.5209 10.5209 k = 0.0000 0.0000 0.1761 ( 4696 PWs) bands (ev): -70.4629 -70.4629 -70.4602 -70.4602 -40.1027 -40.1027 -40.0910 -40.0910 -38.8988 -38.8988 -38.8787 -38.8787 -38.7618 -38.7618 -38.7583 -38.7583 -3.3872 -3.3872 -2.0155 -2.0155 4.2492 4.2492 6.0464 6.0464 6.5178 6.5178 6.8635 6.8635 7.1583 7.1583 7.5755 7.5755 7.6417 7.6417 7.6453 7.6453 8.1459 8.1459 8.1859 8.1859 8.6586 8.6586 8.8878 8.8878 9.9721 9.9721 10.5831 10.5831 k = 0.0000 0.0000 0.1896 ( 4696 PWs) bands (ev): -70.4628 -70.4628 -70.4603 -70.4603 -40.1024 -40.1024 -40.0914 -40.0914 -38.8982 -38.8982 -38.8793 -38.8793 -38.7617 -38.7617 -38.7584 -38.7584 -3.3544 -3.3544 -2.0738 -2.0738 4.3553 4.3553 6.0825 6.0825 6.5439 6.5439 6.8098 6.8098 7.1435 7.1435 7.5370 7.5370 7.6511 7.6511 7.6598 7.6598 8.1297 8.1297 8.1620 8.1620 8.6258 8.6258 8.8323 8.8323 9.9380 9.9380 10.6468 10.6468 k = 0.0000 0.0000 0.2031 ( 4708 PWs) bands (ev): -70.4627 -70.4627 -70.4604 -70.4604 -40.1020 -40.1020 -40.0917 -40.0917 -38.8975 -38.8975 -38.8800 -38.8800 -38.7616 -38.7616 -38.7586 -38.7586 -3.3193 -3.3193 -2.1335 -2.1335 4.4652 4.4652 6.1215 6.1215 6.5717 6.5717 6.7452 6.7452 7.1363 7.1363 7.4938 7.4938 7.6646 7.6646 7.6752 7.6752 8.1124 8.1124 8.1381 8.1381 8.5789 8.5789 8.7762 8.7762 9.9239 9.9239 10.7115 10.7115 k = 0.0000 0.0000 0.2167 ( 4708 PWs) bands (ev): -70.4626 -70.4626 -70.4605 -70.4605 -40.1016 -40.1016 -40.0921 -40.0921 -38.8968 -38.8968 -38.8807 -38.8807 -38.7614 -38.7614 -38.7587 -38.7587 -3.2820 -3.2820 -2.1943 -2.1943 4.5785 4.5785 6.1635 6.1635 6.6013 6.6013 6.6734 6.6734 7.1315 7.1315 7.4484 7.4484 7.6801 7.6801 7.6915 7.6915 8.0941 8.0941 8.1142 8.1142 8.5220 8.5220 8.7198 8.7198 9.9272 9.9272 10.7766 10.7766 k = 0.0000 0.0000 0.2302 ( 4714 PWs) bands (ev): -70.4625 -70.4625 -70.4606 -70.4606 -40.1011 -40.1011 -40.0926 -40.0926 -38.8961 -38.8961 -38.8814 -38.8814 -38.7613 -38.7613 -38.7588 -38.7588 -3.2426 -3.2426 -2.2558 -2.2558 4.6945 4.6945 6.2086 6.2086 6.5965 6.5965 6.6325 6.6325 7.1252 7.1252 7.4019 7.4019 7.6968 7.6968 7.7085 7.7085 8.0750 8.0750 8.0903 8.0903 8.4600 8.4600 8.6637 8.6637 9.9445 9.9445 10.7420 10.7420 k = 0.0000 0.0000 0.2438 ( 4708 PWs) bands (ev): -70.4624 -70.4624 -70.4607 -70.4607 -40.1007 -40.1007 -40.0930 -40.0930 -38.8954 -38.8954 -38.8822 -38.8822 -38.7612 -38.7612 -38.7589 -38.7589 -3.2010 -3.2010 -2.3178 -2.3178 4.8125 4.8125 6.2568 6.2568 6.5159 6.5159 6.6654 6.6654 7.1147 7.1147 7.3546 7.3546 7.7144 7.7144 7.7263 7.7263 8.0553 8.0553 8.0666 8.0666 8.3981 8.3981 8.6082 8.6082 9.9726 9.9726 10.7053 10.7053 k = 0.0000 0.0000 0.2573 ( 4726 PWs) bands (ev): -70.4624 -70.4624 -70.4608 -70.4608 -40.1002 -40.1002 -40.0934 -40.0934 -38.8946 -38.8946 -38.8829 -38.8829 -38.7611 -38.7611 -38.7591 -38.7591 -3.1573 -3.1573 -2.3799 -2.3799 4.9320 4.9320 6.3081 6.3081 6.4320 6.4320 6.6998 6.6998 7.0972 7.0972 7.3069 7.3069 7.7329 7.7329 7.7448 7.7448 8.0348 8.0348 8.0426 8.0426 8.3409 8.3409 8.5538 8.5538 10.0087 10.0087 10.6666 10.6666 k = 0.0000 0.0000 0.2709 ( 4738 PWs) bands (ev): -70.4623 -70.4623 -70.4609 -70.4609 -40.0998 -40.0998 -40.0939 -40.0939 -38.8938 -38.8938 -38.8837 -38.8837 -38.7609 -38.7609 -38.7592 -38.7592 -3.1117 -3.1117 -2.4419 -2.4419 5.0521 5.0521 6.3449 6.3449 6.3625 6.3625 6.7358 6.7358 7.0712 7.0712 7.2590 7.2590 7.7520 7.7520 7.7637 7.7637 8.0140 8.0140 8.0189 8.0189 8.2924 8.2924 8.5009 8.5009 10.0506 10.0506 10.6260 10.6260 k = 0.0000 0.0000 0.2844 ( 4732 PWs) bands (ev): -70.4621 -70.4621 -70.4610 -70.4610 -40.0993 -40.0993 -40.0944 -40.0944 -38.8930 -38.8930 -38.8846 -38.8846 -38.7608 -38.7608 -38.7593 -38.7593 -3.0641 -3.0641 -2.5036 -2.5036 5.1724 5.1724 6.2546 6.2546 6.4202 6.4202 6.7732 6.7732 7.0356 7.0356 7.2113 7.2113 7.7720 7.7720 7.7834 7.7834 7.9930 7.9930 7.9953 7.9953 8.2553 8.2553 8.4503 8.4503 10.0964 10.0964 10.5834 10.5834 k = 0.0000 0.0000 0.2979 ( 4732 PWs) bands (ev): -70.4620 -70.4620 -70.4611 -70.4611 -40.0988 -40.0988 -40.0948 -40.0948 -38.8922 -38.8922 -38.8854 -38.8854 -38.7606 -38.7606 -38.7595 -38.7595 -3.0147 -3.0147 -2.5647 -2.5647 5.2920 5.2920 6.1611 6.1611 6.4808 6.4808 6.8121 6.8121 6.9905 6.9905 7.1639 7.1639 7.7925 7.7925 7.8034 7.8034 7.9718 7.9718 7.9719 7.9719 8.2310 8.2310 8.4022 8.4022 10.1448 10.1448 10.5391 10.5391 k = 0.0000 0.0000 0.3115 ( 4750 PWs) bands (ev): -70.4620 -70.4620 -70.4613 -70.4613 -40.0983 -40.0983 -40.0953 -40.0953 -38.8914 -38.8914 -38.8862 -38.8862 -38.7605 -38.7605 -38.7596 -38.7596 -2.9636 -2.9636 -2.6252 -2.6252 5.4103 5.4103 6.0641 6.0641 6.5441 6.5441 6.8523 6.8523 6.9370 6.9370 7.1169 7.1169 7.8135 7.8135 7.8239 7.8239 7.9483 7.9483 7.9507 7.9507 8.2195 8.2195 8.3575 8.3575 10.1947 10.1947 10.4930 10.4930 k = 0.0000 0.0000 0.3250 ( 4750 PWs) bands (ev): -70.4618 -70.4618 -70.4614 -70.4614 -40.0978 -40.0978 -40.0958 -40.0958 -38.8905 -38.8905 -38.8871 -38.8871 -38.7604 -38.7604 -38.7598 -38.7598 -2.9107 -2.9107 -2.6847 -2.6847 5.5267 5.5267 5.9636 5.9636 6.6098 6.6098 6.8770 6.8770 6.8938 6.8938 7.0705 7.0705 7.8350 7.8350 7.8446 7.8446 7.9251 7.9251 7.9295 7.9295 8.2204 8.2204 8.3170 8.3170 10.2455 10.2455 10.4455 10.4455 k = 0.0000 0.0000 0.3386 ( 4762 PWs) bands (ev): -70.4617 -70.4617 -70.4615 -70.4615 -40.0973 -40.0973 -40.0963 -40.0963 -38.8897 -38.8897 -38.8880 -38.8880 -38.7602 -38.7602 -38.7599 -38.7599 -2.8563 -2.8563 -2.7432 -2.7432 5.6407 5.6407 5.8594 5.8594 6.6771 6.6771 6.8123 6.8123 6.9364 6.9364 7.0249 7.0249 7.8570 7.8570 7.8657 7.8657 7.9021 7.9021 7.9081 7.9081 8.2321 8.2321 8.2818 8.2818 10.2963 10.2963 10.3967 10.3967 k = 0.0000 0.0000 0.3521 ( 4756 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.8004 -2.8004 -2.8004 -2.8004 5.7517 5.7517 5.7517 5.7517 6.7451 6.7451 6.7451 6.7451 6.9801 6.9801 6.9801 6.9801 7.8794 7.8794 7.8794 7.8794 7.8869 7.8869 7.8869 7.8869 8.2531 8.2531 8.2531 8.2531 10.3469 10.3469 10.3469 10.3469 k = 0.0000 0.0000 0.3521 ( 4756 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.8004 -2.8004 -2.8004 -2.8004 5.7517 5.7517 5.7517 5.7517 6.7451 6.7451 6.7451 6.7451 6.9801 6.9801 6.9801 6.9801 7.8794 7.8794 7.8794 7.8794 7.8869 7.8869 7.8869 7.8869 8.2531 8.2531 8.2531 8.2531 10.3469 10.3469 10.3469 10.3469 k = 0.0116 0.0067 0.3521 ( 4756 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.7995 -2.7995 -2.7995 -2.7995 5.7487 5.7487 5.7487 5.7487 6.7440 6.7440 6.7440 6.7440 6.9804 6.9804 6.9804 6.9804 7.8791 7.8791 7.8791 7.8791 7.8871 7.8871 7.8871 7.8871 8.2555 8.2555 8.2555 8.2555 10.3424 10.3424 10.3424 10.3424 k = 0.0233 0.0134 0.3521 ( 4740 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.7968 -2.7968 -2.7968 -2.7968 5.7400 5.7400 5.7400 5.7400 6.7411 6.7411 6.7411 6.7411 6.9811 6.9811 6.9811 6.9811 7.8785 7.8785 7.8785 7.8785 7.8877 7.8877 7.8877 7.8877 8.2629 8.2629 8.2629 8.2629 10.3290 10.3290 10.3290 10.3290 k = 0.0349 0.0201 0.3521 ( 4744 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.7923 -2.7923 -2.7923 -2.7923 5.7254 5.7254 5.7254 5.7254 6.7362 6.7362 6.7362 6.7362 6.9822 6.9822 6.9822 6.9822 7.8773 7.8773 7.8773 7.8773 7.8887 7.8887 7.8887 7.8887 8.2749 8.2749 8.2749 8.2749 10.3069 10.3069 10.3069 10.3069 k = 0.0465 0.0269 0.3521 ( 4744 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.7861 -2.7861 -2.7861 -2.7861 5.7051 5.7051 5.7051 5.7051 6.7296 6.7296 6.7296 6.7296 6.9836 6.9836 6.9836 6.9836 7.8757 7.8757 7.8757 7.8757 7.8899 7.8899 7.8899 7.8899 8.2914 8.2914 8.2914 8.2914 10.2763 10.2763 10.2763 10.2763 k = 0.0581 0.0336 0.3521 ( 4748 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.7781 -2.7781 -2.7781 -2.7781 5.6793 5.6793 5.6793 5.6793 6.7216 6.7216 6.7216 6.7216 6.9852 6.9852 6.9852 6.9852 7.8735 7.8735 7.8735 7.8735 7.8916 7.8916 7.8916 7.8916 8.3122 8.3122 8.3122 8.3122 10.2376 10.2376 10.2376 10.2376 k = 0.0698 0.0403 0.3521 ( 4736 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.7684 -2.7684 -2.7684 -2.7684 5.6482 5.6482 5.6482 5.6482 6.7125 6.7125 6.7125 6.7125 6.9871 6.9871 6.9871 6.9871 7.8709 7.8709 7.8709 7.8709 7.8936 7.8936 7.8936 7.8936 8.3367 8.3367 8.3367 8.3367 10.1916 10.1916 10.1916 10.1916 k = 0.0814 0.0470 0.3521 ( 4736 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.7569 -2.7569 -2.7569 -2.7569 5.6119 5.6119 5.6119 5.6119 6.7025 6.7025 6.7025 6.7025 6.9891 6.9891 6.9891 6.9891 7.8676 7.8676 7.8676 7.8676 7.8960 7.8960 7.8960 7.8960 8.3646 8.3646 8.3646 8.3646 10.1388 10.1388 10.1388 10.1388 k = 0.0930 0.0537 0.3521 ( 4732 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.7438 -2.7438 -2.7438 -2.7438 5.5707 5.5707 5.5707 5.5707 6.6916 6.6916 6.6916 6.6916 6.9912 6.9912 6.9912 6.9912 7.8637 7.8637 7.8637 7.8637 7.8988 7.8988 7.8988 7.8988 8.3955 8.3955 8.3955 8.3955 10.0803 10.0803 10.0803 10.0803 k = 0.1047 0.0604 0.3521 ( 4726 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7602 -38.7602 -38.7602 -38.7602 -2.7291 -2.7291 -2.7291 -2.7291 5.5249 5.5249 5.5249 5.5249 6.6803 6.6803 6.6803 6.6803 6.9933 6.9933 6.9933 6.9933 7.8593 7.8593 7.8593 7.8593 7.9021 7.9021 7.9021 7.9021 8.4286 8.4286 8.4286 8.4286 10.0170 10.0170 10.0170 10.0170 k = 0.1163 0.0671 0.3521 ( 4726 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7602 -38.7602 -38.7602 -38.7602 -2.7127 -2.7127 -2.7127 -2.7127 5.4748 5.4748 5.4748 5.4748 6.6685 6.6685 6.6685 6.6685 6.9955 6.9955 6.9955 6.9955 7.8542 7.8542 7.8542 7.8542 7.9059 7.9059 7.9059 7.9059 8.4634 8.4634 8.4634 8.4634 9.9501 9.9501 9.9501 9.9501 k = 0.1279 0.0738 0.3521 ( 4730 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0969 -40.0969 -40.0969 -40.0969 -38.8888 -38.8888 -38.8888 -38.8888 -38.7602 -38.7602 -38.7602 -38.7602 -2.6949 -2.6949 -2.6949 -2.6949 5.4208 5.4208 5.4208 5.4208 6.6563 6.6563 6.6563 6.6563 6.9975 6.9975 6.9975 6.9975 7.8487 7.8487 7.8487 7.8487 7.9101 7.9101 7.9101 7.9101 8.4993 8.4993 8.4993 8.4993 9.8810 9.8810 9.8810 9.8810 k = 0.1395 0.0806 0.3521 ( 4728 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0969 -40.0969 -40.0969 -40.0969 -38.8888 -38.8888 -38.8888 -38.8888 -38.7602 -38.7602 -38.7602 -38.7602 -2.6755 -2.6755 -2.6755 -2.6755 5.3632 5.3632 5.3632 5.3632 6.6439 6.6439 6.6439 6.6439 6.9995 6.9995 6.9995 6.9995 7.8426 7.8426 7.8426 7.8426 7.9148 7.9148 7.9148 7.9148 8.5357 8.5357 8.5357 8.5357 9.8109 9.8109 9.8109 9.8109 k = 0.1512 0.0873 0.3521 ( 4728 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0969 -40.0969 -40.0969 -40.0969 -38.8888 -38.8888 -38.8888 -38.8888 -38.7603 -38.7603 -38.7603 -38.7603 -2.6547 -2.6547 -2.6547 -2.6547 5.3023 5.3023 5.3023 5.3023 6.6313 6.6313 6.6313 6.6313 7.0014 7.0014 7.0014 7.0014 7.8362 7.8362 7.8362 7.8362 7.9200 7.9200 7.9200 7.9200 8.5715 8.5715 8.5715 8.5715 9.7414 9.7414 9.7414 9.7414 k = 0.1628 0.0940 0.3521 ( 4728 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0969 -40.0969 -40.0969 -40.0969 -38.8888 -38.8888 -38.8888 -38.8888 -38.7603 -38.7603 -38.7603 -38.7603 -2.6326 -2.6326 -2.6326 -2.6326 5.2386 5.2386 5.2386 5.2386 6.6185 6.6185 6.6185 6.6185 7.0031 7.0031 7.0031 7.0031 7.8294 7.8294 7.8294 7.8294 7.9257 7.9257 7.9257 7.9257 8.6059 8.6059 8.6059 8.6059 9.6738 9.6738 9.6738 9.6738 k = 0.1744 0.1007 0.3521 ( 4716 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0969 -40.0969 -40.0969 -40.0969 -38.8889 -38.8889 -38.8889 -38.8889 -38.7603 -38.7603 -38.7603 -38.7603 -2.6092 -2.6092 -2.6092 -2.6092 5.1722 5.1722 5.1722 5.1722 6.6055 6.6055 6.6055 6.6055 7.0046 7.0046 7.0046 7.0046 7.8224 7.8224 7.8224 7.8224 7.9320 7.9320 7.9320 7.9320 8.6378 8.6378 8.6378 8.6378 9.6098 9.6098 9.6098 9.6098 k = 0.1860 0.1074 0.3521 ( 4712 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0969 -40.0969 -40.0969 -40.0969 -38.8889 -38.8889 -38.8889 -38.8889 -38.7603 -38.7603 -38.7603 -38.7603 -2.5846 -2.5846 -2.5846 -2.5846 5.1037 5.1037 5.1037 5.1037 6.5924 6.5924 6.5924 6.5924 7.0059 7.0059 7.0059 7.0059 7.8151 7.8151 7.8151 7.8151 7.9388 7.9388 7.9388 7.9388 8.6658 8.6658 8.6658 8.6658 9.5512 9.5512 9.5512 9.5512 k = 0.1977 0.1141 0.3521 ( 4716 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0969 -40.0969 -40.0969 -40.0969 -38.8889 -38.8889 -38.8889 -38.8889 -38.7604 -38.7604 -38.7604 -38.7604 -2.5589 -2.5589 -2.5589 -2.5589 5.0333 5.0333 5.0333 5.0333 6.5791 6.5791 6.5791 6.5791 7.0068 7.0068 7.0068 7.0068 7.8078 7.8078 7.8078 7.8078 7.9460 7.9460 7.9460 7.9460 8.6882 8.6882 8.6882 8.6882 9.4997 9.4997 9.4997 9.4997 k = 0.2093 0.1208 0.3521 ( 4708 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0969 -40.0969 -40.0969 -40.0969 -38.8889 -38.8889 -38.8889 -38.8889 -38.7604 -38.7604 -38.7604 -38.7604 -2.5322 -2.5322 -2.5322 -2.5322 4.9615 4.9615 4.9615 4.9615 6.5657 6.5657 6.5657 6.5657 7.0074 7.0074 7.0074 7.0074 7.8005 7.8005 7.8005 7.8005 7.9538 7.9538 7.9538 7.9538 8.7034 8.7034 8.7034 8.7034 9.4574 9.4574 9.4574 9.4574 k = 0.2209 0.1276 0.3521 ( 4708 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0969 -40.0969 -40.0969 -40.0969 -38.8889 -38.8889 -38.8889 -38.8889 -38.7604 -38.7604 -38.7604 -38.7604 -2.5046 -2.5046 -2.5046 -2.5046 4.8885 4.8885 4.8885 4.8885 6.5522 6.5522 6.5522 6.5522 7.0076 7.0076 7.0076 7.0076 7.7933 7.7933 7.7933 7.7933 7.9620 7.9620 7.9620 7.9620 8.7099 8.7099 8.7099 8.7099 9.4258 9.4258 9.4258 9.4258 k = 0.2326 0.1343 0.3521 ( 4716 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0969 -40.0969 -40.0969 -40.0969 -38.8889 -38.8889 -38.8889 -38.8889 -38.7605 -38.7605 -38.7605 -38.7605 -2.4762 -2.4762 -2.4762 -2.4762 4.8146 4.8146 4.8146 4.8146 6.5385 6.5385 6.5385 6.5385 7.0072 7.0072 7.0072 7.0072 7.7864 7.7864 7.7864 7.7864 7.9707 7.9707 7.9707 7.9707 8.7066 8.7066 8.7066 8.7066 9.4058 9.4058 9.4058 9.4058 k = 0.2442 0.1410 0.3521 ( 4728 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0970 -40.0970 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7605 -38.7605 -38.7605 -38.7605 -2.4472 -2.4472 -2.4472 -2.4472 4.7403 4.7403 4.7403 4.7403 6.5248 6.5248 6.5248 6.5248 7.0063 7.0063 7.0063 7.0063 7.7797 7.7797 7.7797 7.7797 7.9798 7.9798 7.9798 7.9798 8.6937 8.6937 8.6937 8.6937 9.3971 9.3971 9.3971 9.3971 k = 0.2558 0.1477 0.3521 ( 4728 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0970 -40.0970 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7605 -38.7605 -38.7605 -38.7605 -2.4176 -2.4176 -2.4176 -2.4176 4.6659 4.6659 4.6659 4.6659 6.5112 6.5112 6.5112 6.5112 7.0049 7.0049 7.0049 7.0049 7.7737 7.7737 7.7737 7.7737 7.9893 7.9893 7.9893 7.9893 8.6724 8.6724 8.6724 8.6724 9.3986 9.3986 9.3986 9.3986 k = 0.2674 0.1544 0.3521 ( 4708 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0970 -40.0970 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7606 -38.7606 -38.7606 -38.7606 -2.3876 -2.3876 -2.3876 -2.3876 4.5918 4.5918 4.5918 4.5918 6.4975 6.4975 6.4975 6.4975 7.0029 7.0029 7.0029 7.0029 7.7682 7.7682 7.7682 7.7682 7.9993 7.9993 7.9993 7.9993 8.6443 8.6443 8.6443 8.6443 9.4079 9.4079 9.4079 9.4079 k = 0.2791 0.1611 0.3521 ( 4710 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0970 -40.0970 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7606 -38.7606 -38.7606 -38.7606 -2.3574 -2.3574 -2.3574 -2.3574 4.5182 4.5182 4.5182 4.5182 6.4839 6.4839 6.4839 6.4839 7.0001 7.0001 7.0001 7.0001 7.7634 7.7634 7.7634 7.7634 8.0095 8.0095 8.0095 8.0095 8.6116 8.6116 8.6116 8.6116 9.4226 9.4226 9.4226 9.4226 k = 0.2907 0.1678 0.3521 ( 4714 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0970 -40.0970 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7606 -38.7606 -38.7606 -38.7606 -2.3272 -2.3272 -2.3272 -2.3272 4.4455 4.4455 4.4455 4.4455 6.4705 6.4705 6.4705 6.4705 6.9968 6.9968 6.9968 6.9968 7.7595 7.7595 7.7595 7.7595 8.0200 8.0200 8.0200 8.0200 8.5760 8.5760 8.5760 8.5760 9.4403 9.4403 9.4403 9.4403 k = 0.3023 0.1745 0.3521 ( 4714 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0970 -40.0970 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7607 -38.7607 -38.7607 -38.7607 -2.2970 -2.2970 -2.2970 -2.2970 4.3742 4.3742 4.3742 4.3742 6.4572 6.4572 6.4572 6.4572 6.9928 6.9928 6.9928 6.9928 7.7565 7.7565 7.7565 7.7565 8.0306 8.0306 8.0306 8.0306 8.5390 8.5390 8.5390 8.5390 9.4589 9.4589 9.4589 9.4589 k = 0.3140 0.1813 0.3521 ( 4710 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0970 -40.0970 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7607 -38.7607 -38.7607 -38.7607 -2.2670 -2.2670 -2.2670 -2.2670 4.3044 4.3044 4.3044 4.3044 6.4442 6.4442 6.4442 6.4442 6.9882 6.9882 6.9882 6.9882 7.7544 7.7544 7.7544 7.7544 8.0414 8.0414 8.0414 8.0414 8.5017 8.5017 8.5017 8.5017 9.4765 9.4765 9.4765 9.4765 k = 0.3256 0.1880 0.3521 ( 4710 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0970 -40.0970 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7607 -38.7607 -38.7607 -38.7607 -2.2375 -2.2375 -2.2375 -2.2375 4.2367 4.2367 4.2367 4.2367 6.4315 6.4315 6.4315 6.4315 6.9830 6.9830 6.9830 6.9830 7.7534 7.7534 7.7534 7.7534 8.0522 8.0522 8.0522 8.0522 8.4649 8.4649 8.4649 8.4649 9.4917 9.4917 9.4917 9.4917 k = 0.3372 0.1947 0.3521 ( 4710 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0970 -40.0970 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7607 -38.7607 -38.7607 -38.7607 -2.2086 -2.2086 -2.2086 -2.2086 4.1712 4.1712 4.1712 4.1712 6.4192 6.4192 6.4192 6.4192 6.9774 6.9774 6.9774 6.9774 7.7534 7.7534 7.7534 7.7534 8.0630 8.0630 8.0630 8.0630 8.4290 8.4290 8.4290 8.4290 9.5036 9.5036 9.5036 9.5036 k = 0.3488 0.2014 0.3521 ( 4706 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0970 -40.0970 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7608 -38.7608 -38.7608 -38.7608 -2.1805 -2.1805 -2.1805 -2.1805 4.1084 4.1084 4.1084 4.1084 6.4073 6.4073 6.4073 6.4073 6.9715 6.9715 6.9715 6.9715 7.7545 7.7545 7.7545 7.7545 8.0736 8.0736 8.0736 8.0736 8.3946 8.3946 8.3946 8.3946 9.5113 9.5113 9.5113 9.5113 k = 0.3605 0.2081 0.3521 ( 4722 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8889 -38.8889 -38.8889 -38.8889 -38.7608 -38.7608 -38.7608 -38.7608 -2.1535 -2.1535 -2.1535 -2.1535 4.0487 4.0487 4.0487 4.0487 6.3960 6.3960 6.3960 6.3960 6.9652 6.9652 6.9652 6.9652 7.7565 7.7565 7.7565 7.7565 8.0839 8.0839 8.0839 8.0839 8.3618 8.3618 8.3618 8.3618 9.5149 9.5149 9.5149 9.5149 k = 0.3721 0.2148 0.3521 ( 4722 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8889 -38.8889 -38.8889 -38.8889 -38.7608 -38.7608 -38.7608 -38.7608 -2.1276 -2.1276 -2.1276 -2.1276 3.9922 3.9922 3.9922 3.9922 6.3853 6.3853 6.3853 6.3853 6.9589 6.9589 6.9589 6.9589 7.7595 7.7595 7.7595 7.7595 8.0939 8.0939 8.0939 8.0939 8.3309 8.3309 8.3309 8.3309 9.5147 9.5147 9.5147 9.5147 k = 0.3837 0.2215 0.3521 ( 4724 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8889 -38.8889 -38.8889 -38.8889 -38.7609 -38.7609 -38.7609 -38.7609 -2.1032 -2.1032 -2.1032 -2.1032 3.9394 3.9394 3.9394 3.9394 6.3752 6.3752 6.3752 6.3752 6.9525 6.9525 6.9525 6.9525 7.7633 7.7633 7.7633 7.7633 8.1033 8.1033 8.1033 8.1033 8.3021 8.3021 8.3021 8.3021 9.5113 9.5113 9.5113 9.5113 k = 0.3953 0.2283 0.3521 ( 4720 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8889 -38.8889 -38.8889 -38.8889 -38.7609 -38.7609 -38.7609 -38.7609 -2.0803 -2.0803 -2.0803 -2.0803 3.8906 3.8906 3.8906 3.8906 6.3659 6.3659 6.3659 6.3659 6.9463 6.9463 6.9463 6.9463 7.7679 7.7679 7.7679 7.7679 8.1120 8.1120 8.1120 8.1120 8.2755 8.2755 8.2755 8.2755 9.5055 9.5055 9.5055 9.5055 k = 0.4070 0.2350 0.3521 ( 4714 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8889 -38.8889 -38.8889 -38.8889 -38.7609 -38.7609 -38.7609 -38.7609 -2.0593 -2.0593 -2.0593 -2.0593 3.8461 3.8461 3.8461 3.8461 6.3574 6.3574 6.3574 6.3574 6.9403 6.9403 6.9403 6.9403 7.7730 7.7730 7.7730 7.7730 8.1198 8.1198 8.1198 8.1198 8.2515 8.2515 8.2515 8.2515 9.4982 9.4982 9.4982 9.4982 k = 0.4186 0.2417 0.3521 ( 4720 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8889 -38.8889 -38.8889 -38.8889 -38.7609 -38.7609 -38.7609 -38.7609 -2.0403 -2.0403 -2.0403 -2.0403 3.8060 3.8060 3.8060 3.8060 6.3497 6.3497 6.3497 6.3497 6.9347 6.9347 6.9347 6.9347 7.7784 7.7784 7.7784 7.7784 8.1264 8.1264 8.1264 8.1264 8.2301 8.2301 8.2301 8.2301 9.4901 9.4901 9.4901 9.4901 k = 0.4302 0.2484 0.3521 ( 4720 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8889 -38.8889 -38.8889 -38.8889 -38.7609 -38.7609 -38.7609 -38.7609 -2.0234 -2.0234 -2.0234 -2.0234 3.7708 3.7708 3.7708 3.7708 6.3430 6.3430 6.3430 6.3430 6.9297 6.9297 6.9297 6.9297 7.7840 7.7840 7.7840 7.7840 8.1313 8.1313 8.1313 8.1313 8.2120 8.2120 8.2120 8.2120 9.4819 9.4819 9.4819 9.4819 k = 0.4419 0.2551 0.3521 ( 4716 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8889 -38.8889 -38.8889 -38.8889 -38.7609 -38.7609 -38.7609 -38.7609 -2.0088 -2.0088 -2.0088 -2.0088 3.7405 3.7405 3.7405 3.7405 6.3372 6.3372 6.3372 6.3372 6.9252 6.9252 6.9252 6.9252 7.7895 7.7895 7.7895 7.7895 8.1340 8.1340 8.1340 8.1340 8.1978 8.1978 8.1978 8.1978 9.4741 9.4741 9.4741 9.4741 k = 0.4535 0.2618 0.3521 ( 4716 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8889 -38.8889 -38.8889 -38.8889 -38.7609 -38.7609 -38.7609 -38.7609 -1.9966 -1.9966 -1.9966 -1.9966 3.7155 3.7155 3.7155 3.7155 6.3324 6.3324 6.3324 6.3324 6.9214 6.9214 6.9214 6.9214 7.7945 7.7945 7.7945 7.7945 8.1340 8.1340 8.1340 8.1340 8.1881 8.1881 8.1881 8.1881 9.4672 9.4672 9.4672 9.4672 k = 0.4651 0.2685 0.3521 ( 4720 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8889 -38.8889 -38.8889 -38.8889 -38.7610 -38.7610 -38.7610 -38.7610 -1.9870 -1.9870 -1.9870 -1.9870 3.6959 3.6959 3.6959 3.6959 6.3286 6.3286 6.3286 6.3286 6.9183 6.9183 6.9183 6.9183 7.7988 7.7988 7.7988 7.7988 8.1315 8.1315 8.1315 8.1315 8.1827 8.1827 8.1827 8.1827 9.4615 9.4615 9.4615 9.4615 k = 0.4767 0.2752 0.3521 ( 4724 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8889 -38.8889 -38.8889 -38.8889 -38.7610 -38.7610 -38.7610 -38.7610 -1.9801 -1.9801 -1.9801 -1.9801 3.6817 3.6817 3.6817 3.6817 6.3259 6.3259 6.3259 6.3259 6.9161 6.9161 6.9161 6.9161 7.8022 7.8022 7.8022 7.8022 8.1281 8.1281 8.1281 8.1281 8.1803 8.1803 8.1803 8.1803 9.4572 9.4572 9.4572 9.4572 k = 0.4884 0.2820 0.3521 ( 4740 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8889 -38.8889 -38.8889 -38.8889 -38.7610 -38.7610 -38.7610 -38.7610 -1.9760 -1.9760 -1.9760 -1.9760 3.6732 3.6732 3.6732 3.6732 6.3242 6.3242 6.3242 6.3242 6.9147 6.9147 6.9147 6.9147 7.8043 7.8043 7.8043 7.8043 8.1253 8.1253 8.1253 8.1253 8.1795 8.1795 8.1795 8.1795 9.4546 9.4546 9.4546 9.4546 k = 0.5000 0.2887 0.3521 ( 4748 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8889 -38.8889 -38.8889 -38.8889 -38.7610 -38.7610 -38.7610 -38.7610 -1.9746 -1.9746 -1.9746 -1.9746 3.6704 3.6704 3.6704 3.6704 6.3237 6.3237 6.3237 6.3237 6.9143 6.9143 6.9143 6.9143 7.8050 7.8050 7.8050 7.8050 8.1243 8.1243 8.1243 8.1243 8.1793 8.1793 8.1793 8.1793 9.4537 9.4537 9.4537 9.4537 k = 0.5000 0.2887 0.3521 ( 4748 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8889 -38.8889 -38.8889 -38.8889 -38.7610 -38.7610 -38.7610 -38.7610 -1.9746 -1.9746 -1.9746 -1.9746 3.6704 3.6704 3.6704 3.6704 6.3237 6.3237 6.3237 6.3237 6.9143 6.9143 6.9143 6.9143 7.8050 7.8050 7.8050 7.8050 8.1243 8.1243 8.1243 8.1243 8.1793 8.1793 8.1793 8.1793 9.4537 9.4537 9.4537 9.4537 k = 0.4933 0.3002 0.3521 ( 4736 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8889 -38.8889 -38.8889 -38.8889 -38.7610 -38.7610 -38.7610 -38.7610 -1.9743 -1.9743 -1.9741 -1.9741 3.6710 3.6710 3.6722 3.6722 6.3090 6.3090 6.3289 6.3289 6.9052 6.9052 6.9236 6.9236 7.8048 7.8048 7.8059 7.8059 8.1203 8.1203 8.1276 8.1276 8.1774 8.1774 8.1819 8.1819 9.4357 9.4357 9.4441 9.4441 k = 0.4867 0.3118 0.3521 ( 4732 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7610 -38.7610 -38.7610 -38.7610 -1.9733 -1.9733 -1.9729 -1.9729 3.6743 3.6743 3.6766 3.6766 6.2853 6.2853 6.3241 6.3241 6.8969 6.8969 6.9327 6.9327 7.8052 7.8052 7.8074 7.8074 8.1158 8.1158 8.1299 8.1299 8.1764 8.1764 8.1849 8.1849 9.3960 9.3960 9.4086 9.4086 k = 0.4800 0.3233 0.3521 ( 4730 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7610 -38.7610 -38.7610 -38.7610 -1.9715 -1.9715 -1.9710 -1.9710 3.6800 3.6800 3.6836 3.6836 6.2533 6.2533 6.3092 6.3092 6.8895 6.8895 6.9411 6.9411 7.8063 7.8063 7.8095 7.8095 8.1107 8.1107 8.1307 8.1307 8.1767 8.1767 8.1884 8.1884 9.3429 9.3429 9.3548 9.3548 k = 0.4733 0.3349 0.3521 ( 4726 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7610 -38.7610 -38.7610 -38.7610 -1.9691 -1.9691 -1.9684 -1.9684 3.6883 3.6883 3.6930 3.6930 6.2135 6.2135 6.2842 6.2842 6.8835 6.8835 6.9487 6.9487 7.8078 7.8078 7.8120 7.8120 8.1051 8.1051 8.1296 8.1296 8.1788 8.1788 8.1925 8.1925 9.2833 9.2833 9.2912 9.2912 k = 0.4667 0.3464 0.3521 ( 4722 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7610 -38.7610 -38.7610 -38.7610 -1.9660 -1.9660 -1.9651 -1.9651 3.6991 3.6991 3.7049 3.7049 6.1666 6.1666 6.2495 6.2495 6.8788 6.8788 6.9553 6.9553 7.8098 7.8098 7.8148 7.8148 8.0990 8.0990 8.1265 8.1265 8.1830 8.1830 8.1972 8.1972 9.2217 9.2217 9.2237 9.2237 k = 0.4600 0.3580 0.3521 ( 4714 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7610 -38.7610 -38.7610 -38.7610 -1.9623 -1.9623 -1.9612 -1.9612 3.7123 3.7123 3.7192 3.7192 6.1133 6.1133 6.2057 6.2057 6.8753 6.8753 6.9608 6.9608 7.8121 7.8121 7.8178 7.8178 8.0923 8.0923 8.1216 8.1216 8.1890 8.1890 8.2029 8.2029 9.1564 9.1564 9.1609 9.1609 k = 0.4533 0.3695 0.3521 ( 4710 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7610 -38.7610 -38.7610 -38.7610 -1.9579 -1.9579 -1.9567 -1.9567 3.7279 3.7279 3.7359 3.7359 6.0541 6.0541 6.1538 6.1538 6.8728 6.8728 6.9653 6.9653 7.8145 7.8145 7.8207 7.8207 8.0851 8.0851 8.1152 8.1152 8.1967 8.1967 8.2096 8.2096 9.0915 9.0915 9.1024 9.1024 k = 0.4467 0.3811 0.3521 ( 4712 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7610 -38.7610 -38.7610 -38.7610 -1.9530 -1.9530 -1.9516 -1.9516 3.7458 3.7458 3.7549 3.7549 5.9898 5.9898 6.0948 6.0948 6.8711 6.8711 6.9688 6.9688 7.8169 7.8169 7.8234 7.8234 8.0772 8.0772 8.1077 8.1077 8.2057 8.2057 8.2172 8.2172 9.0303 9.0303 9.0473 9.0473 k = 0.4400 0.3926 0.3521 ( 4720 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7610 -38.7610 -38.7610 -38.7610 -1.9476 -1.9476 -1.9461 -1.9461 3.7660 3.7660 3.7762 3.7762 5.9211 5.9211 6.0296 6.0296 6.8698 6.8698 6.9714 6.9714 7.8192 7.8192 7.8260 7.8260 8.0688 8.0688 8.0991 8.0991 8.2161 8.2161 8.2260 8.2260 8.9732 8.9732 8.9959 8.9959 k = 0.4333 0.4041 0.3521 ( 4712 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7610 -38.7610 -38.7610 -38.7610 -1.9418 -1.9418 -1.9401 -1.9401 3.7883 3.7883 3.7995 3.7995 5.8488 5.8488 5.9595 5.9595 6.8689 6.8689 6.9733 6.9733 7.8215 7.8215 7.8282 7.8282 8.0599 8.0599 8.0899 8.0899 8.2276 8.2276 8.2360 8.2360 8.9208 8.9208 8.9486 8.9486 k = 0.4267 0.4157 0.3521 ( 4704 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.9356 -1.9356 -1.9337 -1.9337 3.8127 3.8127 3.8248 3.8248 5.7736 5.7736 5.8856 5.8856 6.8682 6.8682 6.9746 6.9746 7.8236 7.8236 7.8303 7.8303 8.0507 8.0507 8.0802 8.0802 8.2402 8.2402 8.2470 8.2470 8.8728 8.8728 8.9052 8.9052 k = 0.4200 0.4272 0.3521 ( 4700 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.9291 -1.9291 -1.9271 -1.9271 3.8390 3.8390 3.8519 3.8519 5.6964 5.6964 5.8088 5.8088 6.8675 6.8675 6.9753 6.9753 7.8256 7.8256 7.8320 7.8320 8.0412 8.0412 8.0700 8.0700 8.2538 8.2538 8.2590 8.2590 8.8291 8.8291 8.8657 8.8657 k = 0.4133 0.4388 0.3521 ( 4712 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.9224 -1.9224 -1.9202 -1.9202 3.8669 3.8669 3.8806 3.8806 5.6179 5.6179 5.7303 5.7303 6.8667 6.8667 6.9755 6.9755 7.8274 7.8274 7.8335 7.8335 8.0315 8.0315 8.0595 8.0595 8.2681 8.2681 8.2718 8.2718 8.7894 8.7894 8.8297 8.8297 k = 0.4067 0.4503 0.3521 ( 4718 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.9156 -1.9156 -1.9133 -1.9133 3.8964 3.8964 3.9107 3.9107 5.5392 5.5392 5.6511 5.6511 6.8659 6.8659 6.9754 6.9754 7.8292 7.8292 7.8349 7.8349 8.0218 8.0218 8.0490 8.0490 8.2832 8.2832 8.2853 8.2853 8.7532 8.7532 8.7969 8.7969 k = 0.4000 0.4619 0.3521 ( 4718 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.9087 -1.9087 -1.9063 -1.9063 3.9270 3.9270 3.9419 3.9419 5.4612 5.4612 5.5724 5.5724 6.8651 6.8651 6.9750 6.9750 7.8310 7.8310 7.8363 7.8363 8.0120 8.0120 8.0386 8.0386 8.2990 8.2990 8.2994 8.2994 8.7203 8.7203 8.7672 8.7672 k = 0.3933 0.4734 0.3521 ( 4718 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.9020 -1.9020 -1.8995 -1.8995 3.9585 3.9585 3.9737 3.9737 5.3846 5.3846 5.4952 5.4952 6.8642 6.8642 6.9744 6.9744 7.8328 7.8328 7.8377 7.8377 8.0024 8.0024 8.0283 8.0283 8.3139 8.3139 8.3154 8.3154 8.6903 8.6903 8.7403 8.7403 k = 0.3867 0.4850 0.3521 ( 4726 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.8955 -1.8955 -1.8928 -1.8928 3.9903 3.9903 4.0057 4.0057 5.3107 5.3107 5.4207 5.4207 6.8633 6.8633 6.9737 6.9737 7.8346 7.8346 7.8392 7.8392 7.9930 7.9930 8.0183 8.0183 8.3284 8.3284 8.3321 8.3321 8.6627 8.6627 8.7160 8.7160 k = 0.3800 0.4965 0.3521 ( 4718 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.8892 -1.8892 -1.8865 -1.8865 4.0220 4.0220 4.0373 4.0373 5.2404 5.2404 5.3500 5.3500 6.8624 6.8624 6.9730 6.9730 7.8366 7.8366 7.8409 7.8409 7.9839 7.9839 8.0087 8.0087 8.3429 8.3429 8.3492 8.3492 8.6374 8.6374 8.6941 8.6941 k = 0.3733 0.5081 0.3521 ( 4710 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.8834 -1.8834 -1.8806 -1.8806 4.0527 4.0527 4.0678 4.0678 5.1750 5.1750 5.2844 5.2844 6.8614 6.8614 6.9722 6.9722 7.8386 7.8386 7.8428 7.8428 7.9753 7.9753 7.9997 7.9997 8.3570 8.3570 8.3664 8.3664 8.6139 8.6139 8.6744 8.6744 k = 0.3667 0.5196 0.3521 ( 4698 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.8782 -1.8782 -1.8753 -1.8753 4.0816 4.0816 4.0961 4.0961 5.1159 5.1159 5.2254 5.2254 6.8605 6.8605 6.9714 6.9714 7.8407 7.8407 7.8449 7.8449 7.9673 7.9673 7.9914 7.9914 8.3704 8.3704 8.3837 8.3837 8.5922 8.5922 8.6571 8.6571 k = 0.3600 0.5312 0.3521 ( 4694 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.8736 -1.8736 -1.8706 -1.8706 4.1076 4.1076 4.1214 4.1214 5.0645 5.0645 5.1743 5.1743 6.8597 6.8597 6.9708 6.9708 7.8428 7.8428 7.8470 7.8470 7.9600 7.9600 7.9841 7.9841 8.3826 8.3826 8.4006 8.4006 8.5722 8.5722 8.6422 8.6422 k = 0.3533 0.5427 0.3521 ( 4702 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7612 -38.7612 -38.7610 -38.7610 -1.8698 -1.8698 -1.8668 -1.8668 4.1295 4.1295 4.1424 4.1424 5.0223 5.0223 5.1326 5.1326 6.8590 6.8590 6.9702 6.9702 7.8447 7.8447 7.8490 7.8490 7.9538 7.9538 7.9778 7.9778 8.3929 8.3929 8.4167 8.4167 8.5539 8.5539 8.6300 8.6300 k = 0.3467 0.5543 0.3521 ( 4702 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7612 -38.7612 -38.7610 -38.7610 -1.8670 -1.8670 -1.8639 -1.8639 4.1460 4.1460 4.1582 4.1582 4.9910 4.9910 5.1019 5.1019 6.8585 6.8585 6.9697 6.9697 7.8463 7.8463 7.8508 7.8508 7.9489 7.9489 7.9730 7.9730 8.4010 8.4010 8.4312 8.4312 8.5382 8.5382 8.6208 8.6208 k = 0.3400 0.5658 0.3521 ( 4702 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7612 -38.7612 -38.7610 -38.7610 -1.8652 -1.8652 -1.8621 -1.8621 4.1561 4.1561 4.1677 4.1677 4.9718 4.9718 5.0831 5.0831 6.8581 6.8581 6.9695 6.9695 7.8474 7.8474 7.8522 7.8522 7.9457 7.9457 7.9699 7.9699 8.4062 8.4062 8.4423 8.4423 8.5264 8.5264 8.6151 8.6151 k = 0.3333 0.5774 0.3521 ( 4698 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7612 -38.7612 -38.7610 -38.7610 -1.8646 -1.8646 -1.8615 -1.8615 4.1595 4.1595 4.1709 4.1709 4.9654 4.9654 5.0768 5.0768 6.8580 6.8580 6.9694 6.9694 7.8479 7.8479 7.8527 7.8527 7.9445 7.9445 7.9688 7.9688 8.4080 8.4080 8.4468 8.4468 8.5219 8.5219 8.6132 8.6132 k = 0.3333 0.5774 0.3521 ( 4698 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7612 -38.7612 -38.7610 -38.7610 -1.8646 -1.8646 -1.8615 -1.8615 4.1595 4.1595 4.1709 4.1709 4.9654 4.9654 5.0768 5.0768 6.8580 6.8580 6.9694 6.9694 7.8479 7.8479 7.8527 7.8527 7.9445 7.9445 7.9688 7.9688 8.4080 8.4080 8.4468 8.4468 8.5219 8.5219 8.6132 8.6132 k = 0.3265 0.5656 0.3521 ( 4698 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7612 -38.7612 -38.7610 -38.7610 -1.8653 -1.8653 -1.8622 -1.8622 4.1562 4.1562 4.1679 4.1679 4.9719 4.9719 5.0832 5.0832 6.8581 6.8581 6.9695 6.9695 7.8474 7.8474 7.8521 7.8521 7.9458 7.9458 7.9700 7.9700 8.4062 8.4062 8.4422 8.4422 8.5265 8.5265 8.6152 8.6152 k = 0.3197 0.5538 0.3521 ( 4704 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7612 -38.7612 -38.7610 -38.7610 -1.8674 -1.8674 -1.8643 -1.8643 4.1474 4.1474 4.1595 4.1595 4.9906 4.9906 5.1015 5.1015 6.8586 6.8586 6.9698 6.9698 7.8459 7.8459 7.8504 7.8504 7.9497 7.9497 7.9737 7.9737 8.4008 8.4008 8.4311 8.4311 8.5380 8.5380 8.6207 8.6207 k = 0.3129 0.5420 0.3521 ( 4704 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.8711 -1.8711 -1.8681 -1.8681 4.1346 4.1346 4.1473 4.1473 5.0200 5.0200 5.1304 5.1304 6.8594 6.8594 6.9704 6.9704 7.8436 7.8436 7.8476 7.8476 7.9561 7.9561 7.9800 7.9800 8.3925 8.3925 8.4166 8.4166 8.5529 8.5529 8.6293 8.6293 k = 0.3061 0.5302 0.3521 ( 4696 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.8764 -1.8764 -1.8734 -1.8734 4.1196 4.1196 4.1330 4.1330 5.0583 5.0583 5.1683 5.1683 6.8606 6.8606 6.9712 6.9712 7.8405 7.8405 7.8442 7.8442 7.9649 7.9649 7.9888 7.9888 8.3817 8.3817 8.4005 8.4005 8.5694 8.5694 8.6403 8.6403 k = 0.2993 0.5184 0.3521 ( 4702 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.8834 -1.8834 -1.8805 -1.8805 4.1042 4.1042 4.1180 4.1180 5.1039 5.1039 5.2136 5.2136 6.8622 6.8622 6.9722 6.9722 7.8368 7.8368 7.8403 7.8403 7.9759 7.9759 7.9998 7.9998 8.3692 8.3692 8.3838 8.3838 8.5866 8.5866 8.6530 8.6530 k = 0.2925 0.5067 0.3521 ( 4702 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.8923 -1.8923 -1.8894 -1.8894 4.0897 4.0897 4.1039 4.1039 5.1553 5.1553 5.2649 5.2649 6.8642 6.8642 6.9734 6.9734 7.8328 7.8328 7.8361 7.8361 7.9888 7.9888 8.0131 8.0131 8.3553 8.3553 8.3666 8.3666 8.6042 8.6042 8.6670 8.6670 k = 0.2857 0.4949 0.3521 ( 4694 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.9029 -1.9029 -1.9002 -1.9002 4.0774 4.0774 4.0917 4.0917 5.2113 5.2113 5.3209 5.3209 6.8667 6.8667 6.9748 6.9748 7.8286 7.8286 7.8318 7.8318 8.0036 8.0036 8.0286 8.0286 8.3405 8.3405 8.3494 8.3494 8.6220 8.6220 8.6819 8.6819 k = 0.2789 0.4831 0.3521 ( 4700 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.9154 -1.9154 -1.9128 -1.9128 4.0681 4.0681 4.0823 4.0823 5.2709 5.2709 5.3805 5.3805 6.8697 6.8697 6.9764 6.9764 7.8243 7.8243 7.8277 7.8277 8.0199 8.0199 8.0460 8.0460 8.3250 8.3250 8.3322 8.3322 8.6399 8.6399 8.6974 8.6974 k = 0.2721 0.4713 0.3521 ( 4712 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7610 -38.7610 -1.9297 -1.9297 -1.9272 -1.9272 4.0625 4.0625 4.0764 4.0764 5.3333 5.3333 5.4428 5.4428 6.8731 6.8731 6.9782 6.9782 7.8202 7.8202 7.8239 7.8239 8.0377 8.0377 8.0652 8.0652 8.3093 8.3093 8.3153 8.3153 8.6578 8.6578 8.7133 8.7133 k = 0.2653 0.4595 0.3521 ( 4720 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7611 -38.7611 -38.7609 -38.7609 -1.9458 -1.9458 -1.9435 -1.9435 4.0610 4.0610 4.0745 4.0745 5.3977 5.3977 5.5071 5.5071 6.8771 6.8771 6.9801 6.9801 7.8163 7.8163 7.8203 7.8203 8.0567 8.0567 8.0857 8.0857 8.2939 8.2939 8.2994 8.2994 8.6757 8.6757 8.7295 8.7295 k = 0.2585 0.4477 0.3521 ( 4712 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7610 -38.7610 -38.7609 -38.7609 -1.9638 -1.9638 -1.9615 -1.9615 4.0640 4.0640 4.0770 4.0770 5.4636 5.4636 5.5727 5.5727 6.8815 6.8815 6.9822 6.9822 7.8127 7.8127 7.8173 7.8173 8.0766 8.0766 8.1071 8.1071 8.2794 8.2794 8.2852 8.2852 8.6936 8.6936 8.7458 8.7458 k = 0.2517 0.4360 0.3521 ( 4716 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7610 -38.7610 -38.7609 -38.7609 -1.9835 -1.9835 -1.9813 -1.9813 4.0716 4.0716 4.0841 4.0841 5.5304 5.5304 5.6389 5.6389 6.8865 6.8865 6.9843 6.9843 7.8094 7.8094 7.8146 7.8146 8.0962 8.0962 8.1276 8.1276 8.2670 8.2670 8.2746 8.2746 8.7114 8.7114 8.7621 8.7621 k = 0.2449 0.4242 0.3521 ( 4724 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7610 -38.7610 -38.7609 -38.7609 -2.0048 -2.0048 -2.0028 -2.0028 4.0840 4.0840 4.0959 4.0959 5.5977 5.5977 5.7052 5.7052 6.8920 6.8920 6.9864 6.9864 7.8065 7.8065 7.8124 7.8124 8.1136 8.1136 8.1439 8.1439 8.2586 8.2586 8.2708 8.2708 8.7292 8.7292 8.7783 8.7783 k = 0.2381 0.4124 0.3521 ( 4724 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7610 -38.7610 -38.7609 -38.7609 -2.0277 -2.0277 -2.0259 -2.0259 4.1013 4.1013 4.1125 4.1125 5.6650 5.6650 5.7710 5.7710 6.8980 6.8980 6.9886 6.9886 7.8040 7.8040 7.8107 7.8107 8.1260 8.1260 8.1516 8.1516 8.2576 8.2576 8.2788 8.2788 8.7469 8.7469 8.7942 8.7942 k = 0.2313 0.4006 0.3521 ( 4728 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7610 -38.7610 -38.7609 -38.7609 -2.0521 -2.0521 -2.0504 -2.0504 4.1234 4.1234 4.1339 4.1339 5.7320 5.7320 5.8359 5.8359 6.9044 6.9044 6.9907 6.9907 7.8020 7.8020 7.8095 7.8095 8.1299 8.1299 8.1492 8.1492 8.2675 8.2675 8.3002 8.3002 8.7646 8.7646 8.8097 8.8097 k = 0.2245 0.3888 0.3521 ( 4726 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7609 -38.7609 -38.7608 -38.7608 -2.0778 -2.0778 -2.0762 -2.0762 4.1502 4.1502 4.1600 4.1600 5.7981 5.7981 5.8993 5.8993 6.9113 6.9113 6.9927 6.9927 7.8003 7.8003 7.8088 7.8088 8.1254 8.1254 8.1396 8.1396 8.2886 8.2886 8.3323 8.3323 8.7821 8.7821 8.8247 8.8247 k = 0.2177 0.3770 0.3521 ( 4726 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7609 -38.7609 -38.7608 -38.7608 -2.1048 -2.1048 -2.1033 -2.1033 4.1817 4.1817 4.1907 4.1907 5.8632 5.8632 5.9608 5.9608 6.9185 6.9185 6.9946 6.9946 7.7992 7.7992 7.8086 7.8086 8.1151 8.1151 8.1263 8.1263 8.3182 8.3182 8.3717 8.3717 8.7996 8.7996 8.8390 8.8390 k = 0.2109 0.3653 0.3521 ( 4726 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7609 -38.7609 -38.7608 -38.7608 -2.1328 -2.1328 -2.1315 -2.1315 4.2175 4.2175 4.2259 4.2259 5.9268 5.9268 6.0201 6.0201 6.9261 6.9261 6.9964 6.9964 7.7984 7.7984 7.8089 7.8089 8.1017 8.1017 8.1112 8.1112 8.3539 8.3539 8.4167 8.4167 8.8170 8.8170 8.8524 8.8524 k = 0.2041 0.3535 0.3521 ( 4726 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7608 -38.7608 -38.7608 -38.7608 -2.1617 -2.1617 -2.1605 -2.1605 4.2577 4.2577 4.2653 4.2653 5.9885 5.9885 6.0768 6.0768 6.9339 6.9339 6.9979 6.9979 7.7981 7.7981 7.8097 7.8097 8.0868 8.0868 8.0953 8.0953 8.3944 8.3944 8.4661 8.4661 8.8345 8.8345 8.8646 8.8646 k = 0.1973 0.3417 0.3521 ( 4718 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7608 -38.7608 -38.7607 -38.7607 -2.1914 -2.1914 -2.1904 -2.1904 4.3018 4.3018 4.3088 4.3088 6.0482 6.0482 6.1306 6.1306 6.9420 6.9420 6.9993 6.9993 7.7982 7.7982 7.8109 7.8109 8.0713 8.0713 8.0792 8.0792 8.4387 8.4387 8.5192 8.5192 8.8522 8.8522 8.8755 8.8755 k = 0.1905 0.3299 0.3521 ( 4714 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7608 -38.7608 -38.7607 -38.7607 -2.2218 -2.2218 -2.2208 -2.2208 4.3497 4.3497 4.3562 4.3562 6.1056 6.1056 6.1814 6.1814 6.9500 6.9500 7.0003 7.0003 7.7987 7.7987 7.8125 7.8125 8.0556 8.0556 8.0632 8.0632 8.4863 8.4863 8.5746 8.5746 8.8707 8.8707 8.8849 8.8849 k = 0.1837 0.3181 0.3521 ( 4714 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0970 -40.0970 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7607 -38.7607 -38.7607 -38.7607 -2.2525 -2.2525 -2.2517 -2.2517 4.4011 4.4011 4.4070 4.4070 6.1604 6.1604 6.2290 6.2290 6.9580 6.9580 7.0012 7.0012 7.7995 7.7995 7.8144 7.8144 8.0401 8.0401 8.0476 8.0476 8.5368 8.5368 8.6309 8.6309 8.8911 8.8911 8.8928 8.8928 k = 0.1769 0.3063 0.3521 ( 4712 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0970 -40.0970 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7607 -38.7607 -38.7606 -38.7606 -2.2836 -2.2836 -2.2829 -2.2829 4.4558 4.4558 4.4611 4.4611 6.2125 6.2125 6.2733 6.2733 6.9659 6.9659 7.0017 7.0017 7.8006 7.8006 7.8166 7.8166 8.0251 8.0251 8.0326 8.0326 8.5894 8.5894 8.6849 8.6849 8.8992 8.8992 8.9159 8.9159 k = 0.1701 0.2946 0.3521 ( 4714 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0970 -40.0970 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7607 -38.7607 -38.7606 -38.7606 -2.3149 -2.3149 -2.3142 -2.3142 4.5133 4.5133 4.5181 4.5181 6.2616 6.2616 6.3144 6.3144 6.9734 6.9734 7.0019 7.0019 7.8021 7.8021 7.8191 7.8191 8.0107 8.0107 8.0183 8.0183 8.6428 8.6428 8.7321 8.7321 8.9050 8.9050 8.9489 8.9489 k = 0.1633 0.2828 0.3521 ( 4718 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0970 -40.0970 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7606 -38.7606 -38.7606 -38.7606 -2.3461 -2.3461 -2.3455 -2.3455 4.5733 4.5733 4.5778 4.5778 6.3078 6.3078 6.3523 6.3523 6.9805 6.9805 7.0019 7.0019 7.8038 7.8038 7.8219 7.8219 7.9971 7.9971 8.0047 8.0047 8.6944 8.6944 8.7671 8.7671 8.9124 8.9124 8.9943 8.9943 k = 0.1565 0.2710 0.3521 ( 4722 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0970 -40.0970 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7606 -38.7606 -38.7606 -38.7606 -2.3772 -2.3772 -2.3767 -2.3767 4.6356 4.6356 4.6397 4.6397 6.3509 6.3509 6.3871 6.3871 6.9871 6.9871 7.0016 7.0016 7.8059 7.8059 7.8248 7.8248 7.9842 7.9842 7.9921 7.9921 8.7391 8.7391 8.7880 8.7880 8.9261 8.9261 9.0533 9.0533 k = 0.1497 0.2592 0.3521 ( 4722 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0970 -40.0970 -40.0970 -40.0970 -38.8889 -38.8889 -38.8889 -38.8889 -38.7606 -38.7606 -38.7605 -38.7605 -2.4080 -2.4080 -2.4076 -2.4076 4.6997 4.6997 4.7035 4.7035 6.3909 6.3909 6.4190 6.4190 6.9930 6.9930 7.0011 7.0011 7.8082 7.8082 7.8279 7.8279 7.9723 7.9723 7.9804 7.9804 8.7686 8.7686 8.7965 8.7965 8.9542 8.9542 9.1231 9.1231 k = 0.1429 0.2474 0.3521 ( 4722 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0970 -40.0970 -40.0969 -40.0969 -38.8889 -38.8889 -38.8889 -38.8889 -38.7605 -38.7605 -38.7605 -38.7605 -2.4383 -2.4383 -2.4380 -2.4380 4.7654 4.7654 4.7689 4.7689 6.4279 6.4279 6.4483 6.4483 6.9982 6.9982 7.0004 7.0004 7.8108 7.8108 7.8311 7.8311 7.9614 7.9614 7.9696 7.9696 8.7786 8.7786 8.7953 8.7953 9.0006 9.0006 9.2002 9.2002 k = 0.1361 0.2357 0.3521 ( 4730 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0970 -40.0970 -40.0969 -40.0969 -38.8889 -38.8889 -38.8889 -38.8889 -38.7605 -38.7605 -38.7605 -38.7605 -2.4681 -2.4681 -2.4678 -2.4678 4.8321 4.8321 4.8354 4.8354 6.4619 6.4619 6.4751 6.4751 6.9994 6.9994 7.0026 7.0026 7.8136 7.8136 7.8344 7.8344 7.9513 7.9513 7.9598 7.9598 8.7731 8.7731 8.7862 8.7862 9.0614 9.0614 9.2814 9.2814 k = 0.1293 0.2239 0.3521 ( 4726 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0969 -40.0969 -40.0969 -40.0969 -38.8889 -38.8889 -38.8889 -38.8889 -38.7605 -38.7605 -38.7604 -38.7604 -2.4972 -2.4972 -2.4969 -2.4969 4.8996 4.8996 4.9026 4.9026 6.4931 6.4931 6.4997 6.4997 6.9983 6.9983 7.0061 7.0061 7.8167 7.8167 7.8379 7.8379 7.9423 7.9423 7.9510 7.9510 8.7575 8.7575 8.7705 8.7705 9.1311 9.1311 9.3646 9.3646 k = 0.1224 0.2121 0.3521 ( 4722 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0969 -40.0969 -40.0969 -40.0969 -38.8889 -38.8889 -38.8889 -38.8889 -38.7604 -38.7604 -38.7604 -38.7604 -2.5255 -2.5255 -2.5253 -2.5253 4.9673 4.9673 4.9702 4.9702 6.5214 6.5214 6.5224 6.5224 6.9972 6.9972 7.0087 7.0087 7.8200 7.8200 7.8414 7.8414 7.9342 7.9342 7.9431 7.9431 8.7354 8.7354 8.7492 8.7492 9.2064 9.2064 9.4482 9.4482 k = 0.1156 0.2003 0.3521 ( 4718 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0969 -40.0969 -40.0969 -40.0969 -38.8889 -38.8889 -38.8889 -38.8889 -38.7604 -38.7604 -38.7604 -38.7604 -2.5528 -2.5528 -2.5526 -2.5526 5.0350 5.0350 5.0377 5.0377 6.5433 6.5433 6.5472 6.5472 6.9960 6.9960 7.0104 7.0104 7.8236 7.8236 7.8449 7.8449 7.9270 7.9270 7.9361 7.9361 8.7084 8.7084 8.7232 8.7232 9.2855 9.2855 9.5305 9.5305 k = 0.1088 0.1885 0.3521 ( 4726 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0969 -40.0969 -40.0969 -40.0969 -38.8889 -38.8889 -38.8889 -38.8889 -38.7604 -38.7604 -38.7603 -38.7603 -2.5792 -2.5792 -2.5790 -2.5790 5.1021 5.1021 5.1047 5.1047 6.5627 6.5627 6.5705 6.5705 6.9947 6.9947 7.0113 7.0113 7.8273 7.8273 7.8483 7.8483 7.9207 7.9207 7.9299 7.9299 8.6779 8.6779 8.6931 8.6931 9.3674 9.3674 9.6104 9.6104 k = 0.1020 0.1767 0.3521 ( 4726 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0969 -40.0969 -40.0969 -40.0969 -38.8889 -38.8889 -38.8888 -38.8888 -38.7603 -38.7603 -38.7603 -38.7603 -2.6043 -2.6043 -2.6042 -2.6042 5.1683 5.1683 5.1707 5.1707 6.5809 6.5809 6.5917 6.5917 6.9934 6.9934 7.0114 7.0114 7.8312 7.8312 7.8518 7.8518 7.9151 7.9151 7.9244 7.9244 8.6448 8.6448 8.6598 8.6598 9.4513 9.4513 9.6869 9.6869 k = 0.0952 0.1650 0.3521 ( 4726 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0969 -40.0969 -40.0969 -40.0969 -38.8888 -38.8888 -38.8888 -38.8888 -38.7603 -38.7603 -38.7603 -38.7603 -2.6283 -2.6283 -2.6282 -2.6282 5.2330 5.2330 5.2353 5.2353 6.5980 6.5980 6.6108 6.6108 6.9922 6.9922 7.0107 7.0107 7.8353 7.8353 7.8552 7.8552 7.9103 7.9103 7.9196 7.9196 8.6098 8.6098 8.6241 8.6241 9.5367 9.5367 9.7596 9.7596 k = 0.0884 0.1532 0.3521 ( 4722 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0969 -40.0969 -40.0969 -40.0969 -38.8888 -38.8888 -38.8888 -38.8888 -38.7603 -38.7603 -38.7603 -38.7603 -2.6510 -2.6510 -2.6509 -2.6509 5.2958 5.2958 5.2980 5.2980 6.6142 6.6142 6.6280 6.6280 6.9911 6.9911 7.0094 7.0094 7.8395 7.8395 7.8586 7.8586 7.9061 7.9061 7.9154 7.9154 8.5736 8.5736 8.5869 8.5869 9.6227 9.6227 9.8283 9.8283 k = 0.0816 0.1414 0.3521 ( 4718 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0969 -40.0969 -40.0969 -40.0969 -38.8888 -38.8888 -38.8888 -38.8888 -38.7602 -38.7602 -38.7602 -38.7602 -2.6723 -2.6723 -2.6722 -2.6722 5.3563 5.3563 5.3583 5.3583 6.6297 6.6297 6.6438 6.6438 6.9900 6.9900 7.0075 7.0075 7.8438 7.8438 7.8618 7.8618 7.9025 7.9025 7.9117 7.9117 8.5369 8.5369 8.5488 8.5488 9.7088 9.7088 9.8932 9.8932 k = 0.0748 0.1296 0.3521 ( 4722 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0969 -40.0969 -40.0969 -40.0969 -38.8888 -38.8888 -38.8888 -38.8888 -38.7602 -38.7602 -38.7602 -38.7602 -2.6921 -2.6921 -2.6921 -2.6921 5.4140 5.4140 5.4158 5.4158 6.6445 6.6445 6.6581 6.6581 6.9891 6.9891 7.0051 7.0051 7.8481 7.8481 7.8648 7.8648 7.8993 7.8993 7.9084 7.9084 8.5002 8.5002 8.5105 8.5105 9.7940 9.7940 9.9545 9.9545 k = 0.0680 0.1178 0.3521 ( 4720 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0969 -40.0969 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7602 -38.7602 -38.7602 -38.7602 -2.7104 -2.7104 -2.7104 -2.7104 5.4685 5.4685 5.4701 5.4701 6.6587 6.6587 6.6712 6.6712 6.9881 6.9881 7.0023 7.0023 7.8524 7.8524 7.8677 7.8677 7.8966 7.8966 7.9054 7.9054 8.4642 8.4642 8.4728 8.4728 9.8773 9.8773 10.0124 10.0124 k = 0.0612 0.1060 0.3521 ( 4728 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7602 -38.7602 -38.7602 -38.7602 -2.7272 -2.7272 -2.7272 -2.7272 5.5193 5.5193 5.5206 5.5206 6.6724 6.6724 6.6833 6.6833 6.9872 6.9872 6.9993 6.9993 7.8565 7.8565 7.8703 7.8703 7.8943 7.8943 7.9026 7.9026 8.4293 8.4293 8.4362 8.4362 9.9576 9.9576 10.0670 10.0670 k = 0.0544 0.0943 0.3521 ( 4724 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.7423 -2.7423 -2.7423 -2.7423 5.5659 5.5659 5.5670 5.5670 6.6854 6.6854 6.6945 6.6945 6.9864 6.9864 6.9961 6.9961 7.8606 7.8606 7.8725 7.8725 7.8924 7.8924 7.9001 7.9001 8.3962 8.3962 8.4016 8.4016 10.0337 10.0337 10.1182 10.1182 k = 0.0476 0.0825 0.3521 ( 4734 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.7558 -2.7558 -2.7558 -2.7558 5.6080 5.6080 5.6088 5.6088 6.6977 6.6977 6.7047 6.7047 6.9855 6.9855 6.9929 6.9929 7.8644 7.8644 7.8745 7.8745 7.8908 7.8908 7.8977 7.8977 8.3654 8.3654 8.3694 8.3694 10.1040 10.1040 10.1657 10.1657 k = 0.0408 0.0707 0.3521 ( 4738 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.7675 -2.7675 -2.7675 -2.7675 5.6452 5.6452 5.6458 5.6458 6.7091 6.7091 6.7142 6.7142 6.9846 6.9846 6.9899 6.9899 7.8680 7.8680 7.8760 7.8760 7.8896 7.8896 7.8954 7.8954 8.3375 8.3375 8.3402 8.3402 10.1673 10.1673 10.2092 10.2092 k = 0.0340 0.0589 0.3521 ( 4742 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.7775 -2.7775 -2.7775 -2.7775 5.6773 5.6773 5.6776 5.6776 6.7194 6.7194 6.7227 6.7227 6.9836 6.9836 6.9871 6.9871 7.8712 7.8712 7.8771 7.8771 7.8887 7.8887 7.8933 7.8933 8.3128 8.3128 8.3145 8.3145 10.2221 10.2221 10.2480 10.2480 k = 0.0272 0.0471 0.3521 ( 4738 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.7857 -2.7857 -2.7857 -2.7857 5.7038 5.7038 5.7040 5.7040 6.7283 6.7283 6.7302 6.7302 6.9827 6.9827 6.9846 6.9846 7.8740 7.8740 7.8779 7.8779 7.8882 7.8882 7.8912 7.8912 8.2920 8.2920 8.2929 8.2929 10.2675 10.2675 10.2815 10.2815 k = 0.0204 0.0353 0.3521 ( 4738 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.7921 -2.7921 -2.7921 -2.7921 5.7247 5.7247 5.7247 5.7247 6.7355 6.7355 6.7364 6.7364 6.9818 6.9818 6.9826 6.9826 7.8764 7.8764 7.8784 7.8784 7.8878 7.8878 7.8895 7.8895 8.2753 8.2753 8.2757 8.2757 10.3028 10.3028 10.3089 10.3089 k = 0.0136 0.0236 0.3521 ( 4742 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.7967 -2.7967 -2.7967 -2.7967 5.7396 5.7396 5.7397 5.7397 6.7408 6.7408 6.7411 6.7411 6.9810 6.9810 6.9812 6.9812 7.8781 7.8781 7.8789 7.8789 7.8874 7.8874 7.8880 7.8880 8.2631 8.2631 8.2632 8.2632 10.3276 10.3276 10.3295 10.3295 k = 0.0068 0.0118 0.3521 ( 4756 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.7995 -2.7995 -2.7995 -2.7995 5.7487 5.7487 5.7487 5.7487 6.7440 6.7440 6.7440 6.7440 6.9804 6.9804 6.9804 6.9804 7.8791 7.8791 7.8792 7.8792 7.8870 7.8870 7.8871 7.8871 8.2556 8.2556 8.2556 8.2556 10.3422 10.3422 10.3424 10.3424 k = 0.0000 0.0000 0.3521 ( 4756 PWs) bands (ev): -70.4616 -70.4616 -70.4616 -70.4616 -40.0968 -40.0968 -40.0968 -40.0968 -38.8888 -38.8888 -38.8888 -38.8888 -38.7601 -38.7601 -38.7601 -38.7601 -2.8004 -2.8004 -2.8004 -2.8004 5.7517 5.7517 5.7517 5.7517 6.7451 6.7451 6.7451 6.7451 6.9801 6.9801 6.9801 6.9801 7.8794 7.8794 7.8794 7.8794 7.8869 7.8869 7.8869 7.8869 8.2531 8.2531 8.2531 8.2531 10.3469 10.3469 10.3469 10.3469 k = 0.5000 0.2887 0.3521 ( 4748 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0971 -40.0971 -40.0971 -40.0971 -38.8889 -38.8889 -38.8889 -38.8889 -38.7610 -38.7610 -38.7610 -38.7610 -1.9746 -1.9746 -1.9746 -1.9746 3.6704 3.6704 3.6704 3.6704 6.3237 6.3237 6.3237 6.3237 6.9143 6.9143 6.9143 6.9143 7.8050 7.8050 7.8050 7.8050 8.1243 8.1243 8.1243 8.1243 8.1793 8.1793 8.1793 8.1793 9.4537 9.4537 9.4537 9.4537 k = 0.5000 0.2887 0.3386 ( 4740 PWs) bands (ev): -70.4616 -70.4616 -70.4614 -70.4614 -40.0976 -40.0976 -40.0966 -40.0966 -38.8898 -38.8898 -38.8881 -38.8881 -38.7611 -38.7611 -38.7608 -38.7608 -1.9872 -1.9872 -1.9622 -1.9622 3.6350 3.6350 3.7093 3.7093 6.3198 6.3198 6.3255 6.3255 6.8985 6.8985 6.9306 6.9306 7.7709 7.7709 7.8381 7.8381 8.1150 8.1150 8.1335 8.1335 8.1715 8.1715 8.1875 8.1875 9.3792 9.3792 9.5296 9.5296 k = 0.5000 0.2887 0.3250 ( 4738 PWs) bands (ev): -70.4617 -70.4617 -70.4613 -70.4613 -40.0981 -40.0981 -40.0961 -40.0961 -38.8906 -38.8906 -38.8872 -38.8872 -38.7613 -38.7613 -38.7607 -38.7607 -2.0000 -2.0000 -1.9501 -1.9501 3.6033 3.6033 3.7518 3.7518 6.3135 6.3135 6.3256 6.3256 6.8838 6.8838 6.9469 6.9469 7.7359 7.7359 7.8701 7.8701 8.1059 8.1059 8.1418 8.1418 8.1649 8.1649 8.1960 8.1960 9.3068 9.3068 9.6057 9.6057 k = 0.5000 0.2887 0.3115 ( 4724 PWs) bands (ev): -70.4618 -70.4618 -70.4612 -70.4612 -40.0986 -40.0986 -40.0956 -40.0956 -38.8915 -38.8915 -38.8864 -38.8864 -38.7614 -38.7614 -38.7605 -38.7605 -2.0130 -2.0130 -1.9384 -1.9384 3.5752 3.5752 3.7977 3.7977 6.3048 6.3048 6.3242 6.3242 6.8705 6.8705 6.9627 6.9627 7.7003 7.7003 7.9005 7.9005 8.0976 8.0976 8.1460 8.1460 8.1623 8.1623 8.2047 8.2047 9.2366 9.2366 9.6781 9.6781 k = 0.5000 0.2887 0.2979 ( 4712 PWs) bands (ev): -70.4619 -70.4619 -70.4610 -70.4610 -40.0991 -40.0991 -40.0952 -40.0952 -38.8923 -38.8923 -38.8856 -38.8856 -38.7616 -38.7616 -38.7603 -38.7603 -2.0260 -2.0260 -1.9271 -1.9271 3.5506 3.5506 3.8470 3.8470 6.2933 6.2933 6.3217 6.3217 6.8589 6.8589 6.9776 6.9776 7.6640 7.6640 7.9288 7.9288 8.0903 8.0903 8.1426 8.1426 8.1674 8.1674 8.2137 8.2137 9.1688 9.1688 9.7241 9.7241 k = 0.5000 0.2887 0.2844 ( 4720 PWs) bands (ev): -70.4621 -70.4621 -70.4609 -70.4609 -40.0995 -40.0995 -40.0947 -40.0947 -38.8931 -38.8931 -38.8847 -38.8847 -38.7617 -38.7617 -38.7602 -38.7602 -2.0391 -2.0391 -1.9162 -1.9162 3.5296 3.5296 3.8996 3.8996 6.2792 6.2792 6.3180 6.3180 6.8493 6.8493 6.9908 6.9908 7.6271 7.6271 7.9540 7.9540 8.0852 8.0852 8.1362 8.1362 8.1751 8.1751 8.2226 8.2226 9.1035 9.1035 9.6886 9.6886 k = 0.5000 0.2887 0.2709 ( 4716 PWs) bands (ev): -70.4621 -70.4621 -70.4608 -70.4608 -40.1000 -40.1000 -40.0942 -40.0942 -38.8939 -38.8939 -38.8839 -38.8839 -38.7619 -38.7619 -38.7600 -38.7600 -2.0521 -2.0521 -1.9058 -1.9058 3.5120 3.5120 3.9554 3.9554 6.2625 6.2625 6.3138 6.3138 6.8418 6.8418 7.0022 7.0022 7.5898 7.5898 7.9746 7.9746 8.0835 8.0835 8.1294 8.1294 8.1830 8.1830 8.2318 8.2318 9.0407 9.0407 9.6150 9.6150 k = 0.5000 0.2887 0.2573 ( 4712 PWs) bands (ev): -70.4622 -70.4622 -70.4607 -70.4607 -40.1005 -40.1005 -40.0938 -40.0938 -38.8947 -38.8947 -38.8831 -38.8831 -38.7620 -38.7620 -38.7599 -38.7599 -2.0650 -2.0650 -1.8959 -1.8959 3.4978 3.4978 4.0140 4.0140 6.2434 6.2434 6.3090 6.3090 6.8362 6.8362 7.0112 7.0112 7.5522 7.5522 7.9886 7.9886 8.0874 8.0874 8.1225 8.1225 8.1907 8.1907 8.2410 8.2410 8.9806 8.9806 9.5364 9.5364 k = 0.5000 0.2887 0.2438 ( 4718 PWs) bands (ev): -70.4623 -70.4623 -70.4606 -70.4606 -40.1009 -40.1009 -40.0933 -40.0933 -38.8955 -38.8955 -38.8824 -38.8824 -38.7622 -38.7622 -38.7598 -38.7598 -2.0776 -2.0776 -1.8866 -1.8866 3.4868 3.4868 4.0755 4.0755 6.2222 6.2222 6.3039 6.3039 6.8323 6.8323 7.0176 7.0176 7.5142 7.5142 7.9950 7.9950 8.0972 8.0972 8.1161 8.1161 8.1978 8.1978 8.2502 8.2502 8.9231 8.9231 9.4585 9.4585 k = 0.5000 0.2887 0.2302 ( 4710 PWs) bands (ev): -70.4624 -70.4624 -70.4605 -70.4605 -40.1013 -40.1013 -40.0929 -40.0929 -38.8962 -38.8962 -38.8816 -38.8816 -38.7623 -38.7623 -38.7596 -38.7596 -2.0901 -2.0901 -1.8778 -1.8778 3.4788 3.4788 4.1394 4.1394 6.1993 6.1993 6.2987 6.2987 6.8298 6.8298 7.0212 7.0212 7.4762 7.4762 7.9952 7.9952 8.1061 8.1061 8.1153 8.1153 8.2044 8.2044 8.2595 8.2595 8.8683 8.8683 9.3831 9.3831 k = 0.5000 0.2887 0.2167 ( 4718 PWs) bands (ev): -70.4626 -70.4626 -70.4604 -70.4604 -40.1018 -40.1018 -40.0925 -40.0925 -38.8969 -38.8969 -38.8809 -38.8809 -38.7624 -38.7624 -38.7595 -38.7595 -2.1022 -2.1022 -1.8696 -1.8696 3.4738 3.4738 4.2056 4.2056 6.1750 6.1750 6.2935 6.2935 6.8282 6.8282 7.0217 7.0217 7.4382 7.4382 7.9918 7.9918 8.1015 8.1015 8.1305 8.1305 8.2101 8.2101 8.2686 8.2686 8.8161 8.8161 9.3109 9.3109 k = 0.5000 0.2887 0.2031 ( 4718 PWs) bands (ev): -70.4626 -70.4626 -70.4604 -70.4604 -40.1022 -40.1022 -40.0921 -40.0921 -38.8976 -38.8976 -38.8802 -38.8802 -38.7626 -38.7626 -38.7594 -38.7594 -2.1139 -2.1139 -1.8620 -1.8620 3.4714 3.4714 4.2738 4.2738 6.1500 6.1500 6.2885 6.2885 6.8269 6.8269 7.0193 7.0193 7.4004 7.4004 7.9865 7.9865 8.0955 8.0955 8.1477 8.1477 8.2151 8.2151 8.2776 8.2776 8.7667 8.7667 9.2424 9.2424 k = 0.5000 0.2887 0.1896 ( 4720 PWs) bands (ev): -70.4627 -70.4627 -70.4603 -70.4603 -40.1026 -40.1026 -40.0918 -40.0918 -38.8982 -38.8982 -38.8795 -38.8795 -38.7627 -38.7627 -38.7592 -38.7592 -2.1251 -2.1251 -1.8549 -1.8549 3.4715 3.4715 4.3435 4.3435 6.1245 6.1245 6.2838 6.2838 6.8251 6.8251 7.0141 7.0141 7.3631 7.3631 7.9803 7.9803 8.0897 8.0897 8.1641 8.1641 8.2192 8.2192 8.2864 8.2864 8.7200 8.7200 9.1779 9.1779 k = 0.5000 0.2887 0.1761 ( 4714 PWs) bands (ev): -70.4628 -70.4628 -70.4602 -70.4602 -40.1029 -40.1029 -40.0914 -40.0914 -38.8988 -38.8988 -38.8789 -38.8789 -38.7628 -38.7628 -38.7591 -38.7591 -2.1359 -2.1359 -1.8484 -1.8484 3.4737 3.4737 4.4143 4.4143 6.0991 6.0991 6.2795 6.2795 6.8220 6.8220 7.0064 7.0064 7.3267 7.3267 7.9738 7.9738 8.0841 8.0841 8.1791 8.1791 8.2225 8.2225 8.2948 8.2948 8.6761 8.6761 9.1180 9.1180 k = 0.5000 0.2887 0.1625 ( 4718 PWs) bands (ev): -70.4629 -70.4629 -70.4601 -70.4601 -40.1033 -40.1033 -40.0911 -40.0911 -38.8994 -38.8994 -38.8783 -38.8783 -38.7629 -38.7629 -38.7590 -38.7590 -2.1461 -2.1461 -1.8425 -1.8425 3.4779 3.4779 4.4858 4.4858 6.0743 6.0743 6.2759 6.2759 6.8161 6.8161 6.9971 6.9971 7.2915 7.2915 7.9672 7.9672 8.0789 8.0789 8.1923 8.1923 8.2248 8.2248 8.3029 8.3029 8.6352 8.6352 9.0625 9.0625 k = 0.5000 0.2887 0.1490 ( 4718 PWs) bands (ev): -70.4630 -70.4630 -70.4600 -70.4600 -40.1036 -40.1036 -40.0908 -40.0908 -38.8999 -38.8999 -38.8777 -38.8777 -38.7630 -38.7630 -38.7589 -38.7589 -2.1557 -2.1557 -1.8371 -1.8371 3.4836 3.4836 4.5573 4.5573 6.0505 6.0505 6.2730 6.2730 6.8063 6.8063 6.9872 6.9872 7.2579 7.2579 7.9608 7.9608 8.0739 8.0739 8.2035 8.2035 8.2262 8.2262 8.3105 8.3105 8.5974 8.5974 9.0118 9.0118 k = 0.5000 0.2887 0.1354 ( 4722 PWs) bands (ev): -70.4630 -70.4630 -70.4600 -70.4600 -40.1039 -40.1039 -40.0905 -40.0905 -38.9004 -38.9004 -38.8772 -38.8772 -38.7631 -38.7631 -38.7588 -38.7588 -2.1646 -2.1646 -1.8323 -1.8323 3.4905 3.4905 4.6282 4.6282 6.0281 6.0281 6.2710 6.2710 6.7909 6.7909 6.9777 6.9777 7.2265 7.2265 7.9546 7.9546 8.0693 8.0693 8.2121 8.2121 8.2273 8.2273 8.3176 8.3176 8.5630 8.5630 8.9659 8.9659 k = 0.5000 0.2887 0.1219 ( 4718 PWs) bands (ev): -70.4631 -70.4631 -70.4599 -70.4599 -40.1042 -40.1042 -40.0902 -40.0902 -38.9009 -38.9009 -38.8768 -38.8768 -38.7632 -38.7632 -38.7587 -38.7587 -2.1728 -2.1728 -1.8280 -1.8280 3.4983 3.4983 4.6975 4.6975 6.0077 6.0077 6.2703 6.2703 6.7690 6.7690 6.9694 6.9694 7.1979 7.1979 7.9489 7.9489 8.0650 8.0650 8.2167 8.2167 8.2293 8.2293 8.3241 8.3241 8.5322 8.5322 8.9247 8.9247 k = 0.5000 0.2887 0.1083 ( 4724 PWs) bands (ev): -70.4632 -70.4632 -70.4598 -70.4598 -40.1044 -40.1044 -40.0900 -40.0900 -38.9013 -38.9013 -38.8763 -38.8763 -38.7633 -38.7633 -38.7587 -38.7587 -2.1802 -2.1802 -1.8242 -1.8242 3.5067 3.5067 4.7644 4.7644 5.9897 5.9897 6.2710 6.2710 6.7403 6.7403 6.9626 6.9626 7.1725 7.1725 7.9435 7.9435 8.0611 8.0611 8.2164 8.2164 8.2332 8.2332 8.3300 8.3300 8.5053 8.5053 8.8883 8.8883 k = 0.5000 0.2887 0.0948 ( 4720 PWs) bands (ev): -70.4632 -70.4632 -70.4598 -70.4598 -40.1046 -40.1046 -40.0898 -40.0898 -38.9017 -38.9017 -38.8759 -38.8759 -38.7633 -38.7633 -38.7586 -38.7586 -2.1869 -2.1869 -1.8209 -1.8209 3.5152 3.5152 4.8278 4.8278 5.9744 5.9744 6.2736 6.2736 6.7055 6.7055 6.9571 6.9571 7.1508 7.1508 7.9387 7.9387 8.0576 8.0576 8.2133 8.2133 8.2374 8.2374 8.3353 8.3353 8.4824 8.4824 8.8566 8.8566 k = 0.5000 0.2887 0.0813 ( 4716 PWs) bands (ev): -70.4632 -70.4632 -70.4597 -70.4597 -40.1048 -40.1048 -40.0896 -40.0896 -38.9020 -38.9020 -38.8756 -38.8756 -38.7634 -38.7634 -38.7585 -38.7585 -2.1927 -2.1927 -1.8181 -1.8181 3.5235 3.5235 4.8865 4.8865 5.9622 5.9622 6.2783 6.2783 6.6658 6.6658 6.9525 6.9525 7.1330 7.1330 7.9345 7.9345 8.0545 8.0545 8.2085 8.2085 8.2409 8.2409 8.3399 8.3399 8.4636 8.4636 8.8295 8.8295 k = 0.5000 0.2887 0.0677 ( 4718 PWs) bands (ev): -70.4633 -70.4633 -70.4597 -70.4597 -40.1050 -40.1050 -40.0895 -40.0895 -38.9023 -38.9023 -38.8753 -38.8753 -38.7635 -38.7635 -38.7585 -38.7585 -2.1977 -2.1977 -1.8157 -1.8157 3.5312 3.5312 4.9391 4.9391 5.9531 5.9531 6.2858 6.2858 6.6226 6.6226 6.9482 6.9482 7.1190 7.1190 7.9309 7.9309 8.0518 8.0518 8.2030 8.2030 8.2436 8.2436 8.3437 8.3437 8.4486 8.4486 8.8068 8.8068 k = 0.5000 0.2887 0.0542 ( 4710 PWs) bands (ev): -70.4633 -70.4633 -70.4597 -70.4597 -40.1051 -40.1051 -40.0893 -40.0893 -38.9025 -38.9025 -38.8751 -38.8751 -38.7635 -38.7635 -38.7584 -38.7584 -2.2019 -2.2019 -1.8138 -1.8138 3.5380 3.5380 4.9843 4.9843 5.9470 5.9470 6.2965 6.2965 6.5779 6.5779 6.9442 6.9442 7.1086 7.1086 7.9278 7.9278 8.0496 8.0496 8.1974 8.1974 8.2456 8.2456 8.3469 8.3469 8.4371 8.4371 8.7885 8.7885 k = 0.5000 0.2887 0.0406 ( 4710 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1052 -40.1052 -40.0892 -40.0892 -38.9026 -38.9026 -38.8749 -38.8749 -38.7635 -38.7635 -38.7584 -38.7584 -2.2051 -2.2051 -1.8124 -1.8124 3.5436 3.5436 5.0210 5.0210 5.9435 5.9435 6.3108 6.3108 6.5337 6.5337 6.9406 6.9406 7.1012 7.1012 7.9255 7.9255 8.0478 8.0478 8.1922 8.1922 8.2469 8.2469 8.3493 8.3493 8.4287 8.4287 8.7744 8.7744 k = 0.5000 0.2887 0.0271 ( 4706 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1053 -40.1053 -40.0892 -40.0892 -38.9028 -38.9028 -38.8748 -38.8748 -38.7636 -38.7636 -38.7584 -38.7584 -2.2074 -2.2074 -1.8113 -1.8113 3.5478 3.5478 5.0480 5.0480 5.9419 5.9419 6.3285 6.3285 6.4926 6.4926 6.9377 6.9377 7.0965 7.0965 7.9237 7.9237 8.0466 8.0466 8.1880 8.1880 8.2478 8.2478 8.3510 8.3510 8.4232 8.4232 8.7644 8.7644 k = 0.5000 0.2887 0.0135 ( 4710 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9028 -38.9028 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.2088 -2.2088 -1.8107 -1.8107 3.5504 3.5504 5.0645 5.0645 5.9413 5.9413 6.3470 6.3470 6.4591 6.4591 6.9358 6.9358 7.0938 7.0938 7.9227 7.9227 8.0458 8.0458 8.1853 8.1853 8.2482 8.2482 8.3520 8.3520 8.4199 8.4199 8.7584 8.7584 k = 0.5000 0.2887-0.0000 ( 4718 PWs) bands (ev): -70.4634 -70.4634 -70.4596 -70.4596 -40.1054 -40.1054 -40.0891 -40.0891 -38.9029 -38.9029 -38.8747 -38.8747 -38.7636 -38.7636 -38.7584 -38.7584 -2.2093 -2.2093 -1.8105 -1.8105 3.5513 3.5513 5.0701 5.0701 5.9412 5.9412 6.3567 6.3567 6.4442 6.4442 6.9352 6.9352 7.0930 7.0930 7.9223 7.9223 8.0455 8.0455 8.1844 8.1844 8.2483 8.2483 8.3523 8.3523 8.4188 8.4188 8.7564 8.7564 k = 0.3333 0.5774-0.0000 ( 4722 PWs) bands (ev): -70.4633 -70.4633 -70.4597 -70.4597 -40.1054 -40.1054 -40.0892 -40.0892 -38.9029 -38.9029 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -1.8968 -1.8968 -1.8961 -1.8961 3.5176 3.5176 4.7126 4.7126 5.5872 5.5872 6.0864 6.0864 6.4374 6.4374 6.9763 6.9763 7.4244 7.4244 8.0330 8.0330 8.1474 8.1474 8.2121 8.2121 8.3321 8.3321 8.3684 8.3684 8.9691 8.9691 9.1041 9.1041 k = 0.3333 0.5774 0.0135 ( 4722 PWs) bands (ev): -70.4633 -70.4633 -70.4597 -70.4597 -40.1054 -40.1054 -40.0892 -40.0892 -38.9028 -38.9028 -38.8747 -38.8747 -38.7637 -38.7637 -38.7584 -38.7584 -1.8967 -1.8967 -1.8960 -1.8960 3.5191 3.5191 4.7100 4.7100 5.5807 5.5807 6.0905 6.0905 6.4396 6.4396 6.9721 6.9721 7.4250 7.4250 8.0328 8.0328 8.1469 8.1469 8.2124 8.2124 8.3321 8.3321 8.3681 8.3681 8.9628 8.9628 9.0957 9.0957 k = 0.3333 0.5774 0.0271 ( 4716 PWs) bands (ev): -70.4633 -70.4633 -70.4596 -70.4596 -40.1053 -40.1053 -40.0892 -40.0892 -38.9028 -38.9028 -38.8748 -38.8748 -38.7637 -38.7637 -38.7585 -38.7585 -1.8963 -1.8963 -1.8957 -1.8957 3.5237 3.5237 4.7023 4.7023 5.5622 5.5622 6.1021 6.1021 6.4459 6.4459 6.9597 6.9597 7.4266 7.4266 8.0323 8.0323 8.1455 8.1455 8.2131 8.2131 8.3322 8.3322 8.3675 8.3675 8.9457 8.9457 9.0735 9.0735 k = 0.3333 0.5774 0.0406 ( 4713 PWs) bands (ev): -70.4633 -70.4633 -70.4597 -70.4597 -40.1052 -40.1052 -40.0893 -40.0893 -38.9026 -38.9026 -38.8749 -38.8749 -38.7637 -38.7637 -38.7585 -38.7585 -1.8957 -1.8957 -1.8951 -1.8951 3.5313 3.5313 4.6898 4.6898 5.5338 5.5338 6.1183 6.1183 6.4562 6.4562 6.9400 6.9400 7.4296 7.4296 8.0316 8.0316 8.1430 8.1430 8.2140 8.2140 8.3326 8.3326 8.3665 8.3665 8.9214 8.9214 9.0433 9.0433 k = 0.3333 0.5774 0.0542 ( 4725 PWs) bands (ev): -70.4633 -70.4633 -70.4597 -70.4597 -40.1051 -40.1051 -40.0894 -40.0894 -38.9025 -38.9025 -38.8751 -38.8751 -38.7636 -38.7636 -38.7585 -38.7585 -1.8948 -1.8948 -1.8943 -1.8943 3.5420 3.5420 4.6728 4.6728 5.4978 5.4978 6.1361 6.1361 6.4701 6.4701 6.9145 6.9145 7.4339 7.4339 8.0304 8.0304 8.1394 8.1394 8.2147 8.2147 8.3331 8.3331 8.3652 8.3652 8.8935 8.8935 9.0098 9.0098 k = 0.3333 0.5774 0.0677 ( 4716 PWs) bands (ev): -70.4632 -70.4632 -70.4597 -70.4597 -40.1050 -40.1050 -40.0895 -40.0895 -38.9022 -38.9022 -38.8754 -38.8754 -38.7636 -38.7636 -38.7586 -38.7586 -1.8937 -1.8937 -1.8934 -1.8934 3.5556 3.5556 4.6518 4.6518 5.4568 5.4568 6.1521 6.1521 6.4872 6.4872 6.8856 6.8856 7.4398 7.4398 8.0290 8.0290 8.1348 8.1348 8.2149 8.2149 8.3342 8.3342 8.3637 8.3637 8.8645 8.8645 8.9759 8.9759 k = 0.3333 0.5774 0.0813 ( 4722 PWs) bands (ev): -70.4632 -70.4632 -70.4598 -70.4598 -40.1048 -40.1048 -40.0897 -40.0897 -38.9020 -38.9020 -38.8756 -38.8756 -38.7635 -38.7635 -38.7586 -38.7586 -1.8924 -1.8924 -1.8922 -1.8922 3.5722 3.5722 4.6274 4.6274 5.4124 5.4124 6.1627 6.1627 6.5069 6.5069 6.8558 6.8558 7.4471 7.4471 8.0271 8.0271 8.1289 8.1289 8.2139 8.2139 8.3357 8.3357 8.3621 8.3621 8.8356 8.8356 8.9428 8.9428 k = 0.3333 0.5774 0.0948 ( 4722 PWs) bands (ev): -70.4632 -70.4632 -70.4598 -70.4598 -40.1046 -40.1046 -40.0899 -40.0899 -38.9017 -38.9017 -38.8760 -38.8760 -38.7635 -38.7635 -38.7587 -38.7587 -1.8909 -1.8909 -1.8909 -1.8909 3.5917 3.5917 4.6001 4.6001 5.3662 5.3662 6.1649 6.1649 6.5288 6.5288 6.8284 6.8284 7.4560 7.4560 8.0247 8.0247 8.1220 8.1220 8.2116 8.2116 8.3378 8.3378 8.3605 8.3605 8.8077 8.8077 8.9114 8.9114 k = 0.3333 0.5774 0.1083 ( 4722 PWs) bands (ev): -70.4631 -70.4631 -70.4599 -70.4599 -40.1044 -40.1044 -40.0901 -40.0901 -38.9013 -38.9013 -38.8764 -38.8764 -38.7634 -38.7634 -38.7587 -38.7587 -1.8894 -1.8894 -1.8893 -1.8893 3.6139 3.6139 4.5707 4.5707 5.3192 5.3192 6.1558 6.1558 6.5524 6.5524 6.8064 6.8064 7.4665 7.4665 8.0219 8.0219 8.1139 8.1139 8.2075 8.2075 8.3406 8.3406 8.3592 8.3592 8.7810 8.7810 8.8818 8.8818 k = 0.3333 0.5774 0.1219 ( 4704 PWs) bands (ev): -70.4630 -70.4630 -70.4599 -70.4599 -40.1042 -40.1042 -40.0903 -40.0903 -38.9009 -38.9009 -38.8768 -38.8768 -38.7633 -38.7633 -38.7588 -38.7588 -1.8878 -1.8878 -1.8875 -1.8875 3.6390 3.6390 4.5395 4.5395 5.2722 5.2722 6.1336 6.1336 6.5770 6.5770 6.7919 6.7919 7.4785 7.4785 8.0186 8.0186 8.1048 8.1048 8.2019 8.2019 8.3442 8.3442 8.3581 8.3581 8.7558 8.7558 8.8543 8.8543 k = 0.3333 0.5774 0.1354 ( 4704 PWs) bands (ev): -70.4630 -70.4630 -70.4600 -70.4600 -40.1039 -40.1039 -40.0906 -40.0906 -38.9004 -38.9004 -38.8773 -38.8773 -38.7633 -38.7633 -38.7589 -38.7589 -1.8860 -1.8860 -1.8855 -1.8855 3.6666 3.6666 4.5074 4.5074 5.2260 5.2260 6.0979 6.0979 6.6023 6.6023 6.7860 6.7860 7.4920 7.4920 8.0147 8.0147 8.0947 8.0947 8.1941 8.1941 8.3484 8.3484 8.3575 8.3575 8.7321 8.7321 8.8287 8.8287 k = 0.3333 0.5774 0.1490 ( 4713 PWs) bands (ev): -70.4629 -70.4629 -70.4600 -70.4600 -40.1036 -40.1036 -40.0908 -40.0908 -38.8999 -38.8999 -38.8778 -38.8778 -38.7632 -38.7632 -38.7590 -38.7590 -1.8842 -1.8842 -1.8835 -1.8835 3.6966 3.6966 4.4747 4.4747 5.1811 5.1811 6.0500 6.0500 6.6278 6.6278 6.7880 6.7880 7.5069 7.5069 8.0102 8.0102 8.0838 8.0838 8.1843 8.1843 8.3534 8.3534 8.3573 8.3573 8.7099 8.7099 8.8049 8.8049 k = 0.3333 0.5774 0.1625 ( 4710 PWs) bands (ev): -70.4628 -70.4628 -70.4601 -70.4601 -40.1033 -40.1033 -40.0911 -40.0911 -38.8994 -38.8994 -38.8783 -38.8783 -38.7631 -38.7631 -38.7591 -38.7591 -1.8824 -1.8824 -1.8814 -1.8814 3.7290 3.7290 4.4420 4.4420 5.1381 5.1381 5.9918 5.9918 6.6532 6.6532 6.7963 6.7963 7.5232 7.5232 8.0054 8.0054 8.0723 8.0723 8.1725 8.1725 8.3579 8.3579 8.3591 8.3591 8.6890 8.6890 8.7828 8.7828 k = 0.3333 0.5774 0.1761 ( 4713 PWs) bands (ev): -70.4628 -70.4628 -70.4602 -70.4602 -40.1029 -40.1029 -40.0915 -40.0915 -38.8988 -38.8988 -38.8789 -38.8789 -38.7629 -38.7629 -38.7592 -38.7592 -1.8805 -1.8805 -1.8793 -1.8793 3.7636 3.7636 4.4098 4.4098 5.0975 5.0975 5.9258 5.9258 6.6780 6.6780 6.8093 6.8093 7.5408 7.5408 8.0001 8.0001 8.0604 8.0604 8.1588 8.1588 8.3591 8.3591 8.3654 8.3654 8.6694 8.6694 8.7622 8.7622 k = 0.3333 0.5774 0.1896 ( 4722 PWs) bands (ev): -70.4627 -70.4627 -70.4603 -70.4603 -40.1026 -40.1026 -40.0918 -40.0918 -38.8982 -38.8982 -38.8796 -38.8796 -38.7628 -38.7628 -38.7593 -38.7593 -1.8786 -1.8786 -1.8772 -1.8772 3.7999 3.7999 4.3784 4.3784 5.0596 5.0596 5.8542 5.8542 6.7019 6.7019 6.8252 6.8252 7.5596 7.5596 7.9945 7.9945 8.0482 8.0482 8.1432 8.1432 8.3610 8.3610 8.3722 8.3722 8.6510 8.6510 8.7429 8.7429 k = 0.3333 0.5774 0.2031 ( 4716 PWs) bands (ev): -70.4626 -70.4626 -70.4604 -70.4604 -40.1022 -40.1022 -40.0922 -40.0922 -38.8976 -38.8976 -38.8802 -38.8802 -38.7627 -38.7627 -38.7594 -38.7594 -1.8767 -1.8767 -1.8751 -1.8751 3.8378 3.8378 4.3483 4.3483 5.0250 5.0250 5.7789 5.7789 6.7249 6.7249 6.8428 6.8428 7.5796 7.5796 7.9886 7.9886 8.0359 8.0359 8.1261 8.1261 8.3637 8.3637 8.3795 8.3795 8.6338 8.6338 8.7250 8.7250 k = 0.3333 0.5774 0.2167 ( 4716 PWs) bands (ev): -70.4625 -70.4625 -70.4605 -70.4605 -40.1018 -40.1018 -40.0926 -40.0926 -38.8969 -38.8969 -38.8809 -38.8809 -38.7626 -38.7626 -38.7596 -38.7596 -1.8749 -1.8749 -1.8730 -1.8730 3.8768 3.8768 4.3198 4.3198 4.9940 4.9940 5.7014 5.7014 6.7464 6.7464 6.8609 6.8609 7.6007 7.6007 7.9826 7.9826 8.0237 8.0237 8.1075 8.1075 8.3670 8.3670 8.3871 8.3871 8.6175 8.6175 8.7083 8.7083 k = 0.3333 0.5774 0.2302 ( 4710 PWs) bands (ev): -70.4624 -70.4624 -70.4605 -70.4605 -40.1014 -40.1014 -40.0930 -40.0930 -38.8962 -38.8962 -38.8816 -38.8816 -38.7624 -38.7624 -38.7597 -38.7597 -1.8731 -1.8731 -1.8711 -1.8711 3.9165 3.9165 4.2931 4.2931 4.9672 4.9672 5.6229 5.6229 6.7665 6.7665 6.8789 6.8789 7.6229 7.6229 7.9767 7.9767 8.0117 8.0117 8.0877 8.0877 8.3710 8.3710 8.3950 8.3950 8.6023 8.6023 8.6927 8.6927 k = 0.3333 0.5774 0.2438 ( 4713 PWs) bands (ev): -70.4623 -70.4623 -70.4606 -70.4606 -40.1009 -40.1009 -40.0934 -40.0934 -38.8955 -38.8955 -38.8824 -38.8824 -38.7623 -38.7623 -38.7599 -38.7599 -1.8715 -1.8715 -1.8692 -1.8692 3.9562 3.9562 4.2686 4.2686 4.9450 4.9450 5.5446 5.5446 6.7849 6.7849 6.8961 6.8961 7.6459 7.6459 7.9709 7.9709 7.9999 7.9999 8.0670 8.0670 8.3755 8.3755 8.4030 8.4030 8.5880 8.5880 8.6782 8.6782 k = 0.3333 0.5774 0.2573 ( 4719 PWs) bands (ev): -70.4622 -70.4622 -70.4607 -70.4607 -40.1005 -40.1005 -40.0938 -40.0938 -38.8947 -38.8947 -38.8832 -38.8832 -38.7622 -38.7622 -38.7600 -38.7600 -1.8700 -1.8700 -1.8675 -1.8675 3.9952 3.9952 4.2465 4.2465 4.9279 4.9279 5.4675 5.4675 6.8015 6.8015 6.9121 6.9121 7.6696 7.6696 7.9653 7.9653 7.9881 7.9881 8.0459 8.0459 8.3804 8.3804 8.4110 8.4110 8.5747 8.5747 8.6647 8.6647 k = 0.3333 0.5774 0.2709 ( 4719 PWs) bands (ev): -70.4621 -70.4621 -70.4609 -70.4609 -40.1000 -40.1000 -40.0943 -40.0943 -38.8939 -38.8939 -38.8840 -38.8840 -38.7620 -38.7620 -38.7601 -38.7601 -1.8686 -1.8686 -1.8660 -1.8660 4.0326 4.0326 4.2269 4.2269 4.9167 4.9167 5.3925 5.3925 6.8161 6.8161 6.9265 6.9265 7.6942 7.6942 7.9602 7.9602 7.9760 7.9760 8.0251 8.0251 8.3857 8.3857 8.4188 8.4188 8.5625 8.5625 8.6524 8.6524 k = 0.3333 0.5774 0.2844 ( 4719 PWs) bands (ev): -70.4620 -70.4620 -70.4609 -70.4609 -40.0996 -40.0996 -40.0947 -40.0947 -38.8931 -38.8931 -38.8848 -38.8848 -38.7619 -38.7619 -38.7603 -38.7603 -1.8674 -1.8674 -1.8647 -1.8647 4.0674 4.0674 4.2101 4.2101 4.9117 4.9117 5.3207 5.3207 6.8287 6.8287 6.9392 6.9392 7.7194 7.7194 7.9556 7.9556 7.9623 7.9623 8.0061 8.0061 8.3909 8.3909 8.4261 8.4261 8.5514 8.5514 8.6415 8.6415 k = 0.3333 0.5774 0.2979 ( 4695 PWs) bands (ev): -70.4619 -70.4619 -70.4610 -70.4610 -40.0991 -40.0991 -40.0952 -40.0952 -38.8923 -38.8923 -38.8856 -38.8856 -38.7617 -38.7617 -38.7604 -38.7604 -1.8664 -1.8664 -1.8635 -1.8635 4.0982 4.0982 4.1961 4.1961 4.9136 4.9136 5.2530 5.2530 6.8392 6.8392 6.9499 6.9499 7.7452 7.7452 7.9455 7.9455 7.9518 7.9518 7.9909 7.9909 8.3962 8.3962 8.4329 8.4329 8.5417 8.5417 8.6319 8.6319 k = 0.3333 0.5774 0.3115 ( 4695 PWs) bands (ev): -70.4618 -70.4618 -70.4611 -70.4611 -40.0986 -40.0986 -40.0957 -40.0957 -38.8915 -38.8915 -38.8864 -38.8864 -38.7616 -38.7616 -38.7606 -38.7606 -1.8656 -1.8656 -1.8626 -1.8626 4.1239 4.1239 4.1852 4.1852 4.9226 4.9226 5.1909 5.1909 6.8473 6.8473 6.9583 6.9583 7.7711 7.7711 7.9248 7.9248 7.9487 7.9487 7.9804 7.9804 8.4009 8.4009 8.4386 8.4386 8.5335 8.5335 8.6241 8.6241 k = 0.3333 0.5774 0.3250 ( 4695 PWs) bands (ev): -70.4617 -70.4617 -70.4612 -70.4612 -40.0981 -40.0981 -40.0962 -40.0962 -38.8907 -38.8907 -38.8873 -38.8873 -38.7614 -38.7614 -38.7608 -38.7608 -1.8650 -1.8650 -1.8620 -1.8620 4.1433 4.1433 4.1773 4.1773 4.9377 4.9377 5.1366 5.1366 6.8532 6.8532 6.9644 6.9644 7.7975 7.7975 7.9014 7.9014 7.9464 7.9464 7.9737 7.9737 8.4047 8.4047 8.4430 8.4430 8.5272 8.5272 8.6182 8.6182 k = 0.3333 0.5774 0.3386 ( 4698 PWs) bands (ev): -70.4616 -70.4616 -70.4614 -70.4614 -40.0976 -40.0976 -40.0967 -40.0967 -38.8898 -38.8898 -38.8881 -38.8881 -38.7613 -38.7613 -38.7609 -38.7609 -1.8647 -1.8647 -1.8616 -1.8616 4.1554 4.1554 4.1725 4.1725 4.9557 4.9557 5.0946 5.0946 6.8568 6.8568 6.9681 6.9681 7.8238 7.8238 7.8763 7.8763 7.9450 7.9450 7.9700 7.9700 8.4071 8.4071 8.4458 8.4458 8.5233 8.5233 8.6145 8.6145 k = 0.3333 0.5774 0.3521 ( 4698 PWs) bands (ev): -70.4615 -70.4615 -70.4615 -70.4615 -40.0972 -40.0972 -40.0971 -40.0971 -38.8890 -38.8890 -38.8889 -38.8889 -38.7612 -38.7612 -38.7610 -38.7610 -1.8646 -1.8646 -1.8615 -1.8615 4.1595 4.1595 4.1709 4.1709 4.9654 4.9654 5.0768 5.0768 6.8580 6.8580 6.9694 6.9694 7.8479 7.8479 7.8527 7.8527 7.9445 7.9445 7.9688 7.9688 8.4080 8.4080 8.4468 8.4468 8.5219 8.5219 8.6132 8.6132 Writing output data file MnBi.save init_run : 0.72s CPU 1.05s WALL ( 1 calls) electrons : 302.19s CPU 305.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.08s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 302.19s CPU 305.01s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.05s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.04s WALL ( 1 calls) newd : 0.21s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 321 calls) cegterg : 286.02s CPU 288.43s WALL ( 567 calls) Called by sum_band: Called by *egterg: h_psi : 191.55s CPU 197.33s WALL ( 9260 calls) s_psi : 9.14s CPU 9.29s WALL ( 9260 calls) g_psi : 0.44s CPU 0.52s WALL ( 8372 calls) cdiaghg : 60.85s CPU 57.96s WALL ( 8693 calls) cegterg:over : 15.51s CPU 13.92s WALL ( 8372 calls) cegterg:upda : 5.33s CPU 7.96s WALL ( 8372 calls) cegterg:last : 5.74s CPU 6.64s WALL ( 1966 calls) Called by h_psi: h_psi:vloc : 177.50s CPU 181.53s WALL ( 9260 calls) h_psi:vnl : 13.92s CPU 15.37s WALL ( 9260 calls) add_vuspsi : 5.45s CPU 7.46s WALL ( 9260 calls) General routines calbec : 8.44s CPU 7.83s WALL ( 9260 calls) fft : 0.06s CPU 0.12s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 171.37s CPU 164.86s WALL ( 1130340 calls) interpolate : 0.01s CPU 0.02s WALL ( 4 calls) davcio : 0.02s CPU 0.13s WALL ( 642 calls) Parallel routines fft_scatter : 151.44s CPU 110.23s WALL ( 1130363 calls) PWSCF : 5m26.04s CPU 5m38.60s WALL This run was terminated on: 14:32:48 17Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=