Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 8:57:43 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Rb2Te.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 29 16 4 1379 543 82 Max 30 17 5 1388 562 91 Sum 2107 1159 337 99557 39705 6171 bravais-lattice index = 14 lattice parameter (alat) = 10.9283 a.u. unit-cell volume = 1418.3736 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 35.0000 Ry charge density cutoff = 259.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.928285 celldm(2)= 1.000000 celldm(3)= 1.254885 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 1.254885 ) 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 0.796886 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) Rb 9.00 85.46780 Rb( 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 ) ( -0.6274425 ) 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 ) ( -0.6274425 ) 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 ) ( -0.6274425 ) 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 ) ( -0.6274425 ) 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 ) ( -0.6274425 ) 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 ) ( -0.6274425 ) 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 ) ( -0.6274425 ) 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 ) ( -0.6274425 ) 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 ) ( -0.6274425 ) 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 ) ( -0.6274425 ) 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 ) ( -0.6274425 ) 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 ) ( -0.6274425 ) 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 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 251 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 2) = ( 0.0156250 0.0090211 -0.0000000), wk = 0.0039841 k( 3) = ( 0.0312500 0.0180422 -0.0000000), wk = 0.0039841 k( 4) = ( 0.0468750 0.0270633 -0.0000000), wk = 0.0039841 k( 5) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0039841 k( 6) = ( 0.0781250 0.0451055 -0.0000000), wk = 0.0039841 k( 7) = ( 0.0937500 0.0541266 -0.0000000), wk = 0.0039841 k( 8) = ( 0.1093750 0.0631477 -0.0000000), wk = 0.0039841 k( 9) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0039841 k( 10) = ( 0.1406250 0.0811899 -0.0000000), wk = 0.0039841 k( 11) = ( 0.1562500 0.0902110 -0.0000000), wk = 0.0039841 k( 12) = ( 0.1718750 0.0992321 -0.0000000), wk = 0.0039841 k( 13) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0039841 k( 14) = ( 0.2031250 0.1172743 -0.0000000), wk = 0.0039841 k( 15) = ( 0.2187500 0.1262954 -0.0000000), wk = 0.0039841 k( 16) = ( 0.2343750 0.1353165 -0.0000000), wk = 0.0039841 k( 17) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0039841 k( 18) = ( 0.2656250 0.1533587 -0.0000000), wk = 0.0039841 k( 19) = ( 0.2812500 0.1623798 -0.0000000), wk = 0.0039841 k( 20) = ( 0.2968750 0.1714009 -0.0000000), wk = 0.0039841 k( 21) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0039841 k( 22) = ( 0.3281250 0.1894431 -0.0000000), wk = 0.0039841 k( 23) = ( 0.3437500 0.1984642 -0.0000000), wk = 0.0039841 k( 24) = ( 0.3593750 0.2074853 -0.0000000), wk = 0.0039841 k( 25) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0039841 k( 26) = ( 0.3906250 0.2255274 -0.0000000), wk = 0.0039841 k( 27) = ( 0.4062500 0.2345485 -0.0000000), wk = 0.0039841 k( 28) = ( 0.4218750 0.2435696 -0.0000000), wk = 0.0039841 k( 29) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0039841 k( 30) = ( 0.4531250 0.2616118 -0.0000000), wk = 0.0039841 k( 31) = ( 0.4687500 0.2706329 -0.0000000), wk = 0.0039841 k( 32) = ( 0.4843750 0.2796540 -0.0000000), wk = 0.0039841 k( 33) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0039841 k( 34) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0039841 k( 35) = ( 0.4912281 0.3038686 -0.0000000), wk = 0.0039841 k( 36) = ( 0.4824561 0.3190620 -0.0000000), wk = 0.0039841 k( 37) = ( 0.4736842 0.3342554 -0.0000000), wk = 0.0039841 k( 38) = ( 0.4649123 0.3494488 -0.0000000), wk = 0.0039841 k( 39) = ( 0.4561404 0.3646423 -0.0000000), wk = 0.0039841 k( 40) = ( 0.4473684 0.3798357 -0.0000000), wk = 0.0039841 k( 41) = ( 0.4385965 0.3950291 -0.0000000), wk = 0.0039841 k( 42) = ( 0.4298246 0.4102226 -0.0000000), wk = 0.0039841 k( 43) = ( 0.4210526 0.4254160 -0.0000000), wk = 0.0039841 k( 44) = ( 0.4122807 0.4406094 -0.0000000), wk = 0.0039841 k( 45) = ( 0.4035088 0.4558028 -0.0000000), wk = 0.0039841 k( 46) = ( 0.3947368 0.4709963 -0.0000000), wk = 0.0039841 k( 47) = ( 0.3859649 0.4861897 -0.0000000), wk = 0.0039841 k( 48) = ( 0.3771930 0.5013831 -0.0000000), wk = 0.0039841 k( 49) = ( 0.3684211 0.5165765 -0.0000000), wk = 0.0039841 k( 50) = ( 0.3596491 0.5317700 -0.0000000), wk = 0.0039841 k( 51) = ( 0.3508772 0.5469634 -0.0000000), wk = 0.0039841 k( 52) = ( 0.3421053 0.5621568 -0.0000000), wk = 0.0039841 k( 53) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0039841 k( 54) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0039841 k( 55) = ( 0.3243243 0.5617462 -0.0000000), wk = 0.0039841 k( 56) = ( 0.3153153 0.5461422 -0.0000000), wk = 0.0039841 k( 57) = ( 0.3063063 0.5305381 -0.0000000), wk = 0.0039841 k( 58) = ( 0.2972973 0.5149340 -0.0000000), wk = 0.0039841 k( 59) = ( 0.2882883 0.4993300 -0.0000000), wk = 0.0039841 k( 60) = ( 0.2792793 0.4837259 -0.0000000), wk = 0.0039841 k( 61) = ( 0.2702703 0.4681218 -0.0000000), wk = 0.0039841 k( 62) = ( 0.2612613 0.4525178 -0.0000000), wk = 0.0039841 k( 63) = ( 0.2522523 0.4369137 -0.0000000), wk = 0.0039841 k( 64) = ( 0.2432432 0.4213097 -0.0000000), wk = 0.0039841 k( 65) = ( 0.2342342 0.4057056 -0.0000000), wk = 0.0039841 k( 66) = ( 0.2252252 0.3901015 -0.0000000), wk = 0.0039841 k( 67) = ( 0.2162162 0.3744975 -0.0000000), wk = 0.0039841 k( 68) = ( 0.2072072 0.3588934 -0.0000000), wk = 0.0039841 k( 69) = ( 0.1981982 0.3432894 -0.0000000), wk = 0.0039841 k( 70) = ( 0.1891892 0.3276853 -0.0000000), wk = 0.0039841 k( 71) = ( 0.1801802 0.3120812 -0.0000000), wk = 0.0039841 k( 72) = ( 0.1711712 0.2964772 -0.0000000), wk = 0.0039841 k( 73) = ( 0.1621622 0.2808731 -0.0000000), wk = 0.0039841 k( 74) = ( 0.1531531 0.2652690 -0.0000000), wk = 0.0039841 k( 75) = ( 0.1441441 0.2496650 -0.0000000), wk = 0.0039841 k( 76) = ( 0.1351351 0.2340609 -0.0000000), wk = 0.0039841 k( 77) = ( 0.1261261 0.2184569 -0.0000000), wk = 0.0039841 k( 78) = ( 0.1171171 0.2028528 -0.0000000), wk = 0.0039841 k( 79) = ( 0.1081081 0.1872487 -0.0000000), wk = 0.0039841 k( 80) = ( 0.0990991 0.1716447 -0.0000000), wk = 0.0039841 k( 81) = ( 0.0900901 0.1560406 -0.0000000), wk = 0.0039841 k( 82) = ( 0.0810811 0.1404366 -0.0000000), wk = 0.0039841 k( 83) = ( 0.0720721 0.1248325 -0.0000000), wk = 0.0039841 k( 84) = ( 0.0630631 0.1092284 -0.0000000), wk = 0.0039841 k( 85) = ( 0.0540540 0.0936244 -0.0000000), wk = 0.0039841 k( 86) = ( 0.0450451 0.0780203 -0.0000000), wk = 0.0039841 k( 87) = ( 0.0360360 0.0624163 -0.0000000), wk = 0.0039841 k( 88) = ( 0.0270270 0.0468122 -0.0000000), wk = 0.0039841 k( 89) = ( 0.0180180 0.0312081 -0.0000000), wk = 0.0039841 k( 90) = ( 0.0090090 0.0156041 -0.0000000), wk = 0.0039841 k( 91) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 93) = ( 0.0000000 0.0000000 0.0181110), wk = 0.0039841 k( 94) = ( 0.0000000 0.0000000 0.0362221), wk = 0.0039841 k( 95) = ( 0.0000000 0.0000000 0.0543331), wk = 0.0039841 k( 96) = ( 0.0000000 0.0000000 0.0724442), wk = 0.0039841 k( 97) = ( 0.0000000 0.0000000 0.0905552), wk = 0.0039841 k( 98) = ( 0.0000000 0.0000000 0.1086662), wk = 0.0039841 k( 99) = ( 0.0000000 0.0000000 0.1267773), wk = 0.0039841 k( 100) = ( 0.0000000 0.0000000 0.1448883), wk = 0.0039841 k( 101) = ( 0.0000000 0.0000000 0.1629994), wk = 0.0039841 k( 102) = ( 0.0000000 0.0000000 0.1811104), wk = 0.0039841 k( 103) = ( 0.0000000 0.0000000 0.1992214), wk = 0.0039841 k( 104) = ( 0.0000000 0.0000000 0.2173325), wk = 0.0039841 k( 105) = ( 0.0000000 0.0000000 0.2354435), wk = 0.0039841 k( 106) = ( 0.0000000 0.0000000 0.2535546), wk = 0.0039841 k( 107) = ( 0.0000000 0.0000000 0.2716656), wk = 0.0039841 k( 108) = ( 0.0000000 0.0000000 0.2897766), wk = 0.0039841 k( 109) = ( 0.0000000 0.0000000 0.3078877), wk = 0.0039841 k( 110) = ( 0.0000000 0.0000000 0.3259987), wk = 0.0039841 k( 111) = ( 0.0000000 0.0000000 0.3441098), wk = 0.0039841 k( 112) = ( 0.0000000 0.0000000 0.3622208), wk = 0.0039841 k( 113) = ( 0.0000000 0.0000000 0.3803318), wk = 0.0039841 k( 114) = ( 0.0000000 0.0000000 0.3984429), wk = 0.0039841 k( 115) = ( 0.0000000 0.0000000 0.3984429), wk = 0.0039841 k( 116) = ( 0.0156250 0.0090211 0.3984429), wk = 0.0039841 k( 117) = ( 0.0312500 0.0180422 0.3984429), wk = 0.0039841 k( 118) = ( 0.0468750 0.0270633 0.3984429), wk = 0.0039841 k( 119) = ( 0.0625000 0.0360844 0.3984429), wk = 0.0039841 k( 120) = ( 0.0781250 0.0451055 0.3984429), wk = 0.0039841 k( 121) = ( 0.0937500 0.0541266 0.3984429), wk = 0.0039841 k( 122) = ( 0.1093750 0.0631477 0.3984429), wk = 0.0039841 k( 123) = ( 0.1250000 0.0721688 0.3984429), wk = 0.0039841 k( 124) = ( 0.1406250 0.0811899 0.3984429), wk = 0.0039841 k( 125) = ( 0.1562500 0.0902110 0.3984429), wk = 0.0039841 k( 126) = ( 0.1718750 0.0992321 0.3984429), wk = 0.0039841 k( 127) = ( 0.1875000 0.1082532 0.3984429), wk = 0.0039841 k( 128) = ( 0.2031250 0.1172743 0.3984429), wk = 0.0039841 k( 129) = ( 0.2187500 0.1262954 0.3984429), wk = 0.0039841 k( 130) = ( 0.2343750 0.1353165 0.3984429), wk = 0.0039841 k( 131) = ( 0.2500000 0.1443376 0.3984429), wk = 0.0039841 k( 132) = ( 0.2656250 0.1533587 0.3984429), wk = 0.0039841 k( 133) = ( 0.2812500 0.1623798 0.3984429), wk = 0.0039841 k( 134) = ( 0.2968750 0.1714009 0.3984429), wk = 0.0039841 k( 135) = ( 0.3125000 0.1804220 0.3984429), wk = 0.0039841 k( 136) = ( 0.3281250 0.1894431 0.3984429), wk = 0.0039841 k( 137) = ( 0.3437500 0.1984642 0.3984429), wk = 0.0039841 k( 138) = ( 0.3593750 0.2074853 0.3984429), wk = 0.0039841 k( 139) = ( 0.3750000 0.2165064 0.3984429), wk = 0.0039841 k( 140) = ( 0.3906250 0.2255274 0.3984429), wk = 0.0039841 k( 141) = ( 0.4062500 0.2345485 0.3984429), wk = 0.0039841 k( 142) = ( 0.4218750 0.2435696 0.3984429), wk = 0.0039841 k( 143) = ( 0.4375000 0.2525907 0.3984429), wk = 0.0039841 k( 144) = ( 0.4531250 0.2616118 0.3984429), wk = 0.0039841 k( 145) = ( 0.4687500 0.2706329 0.3984429), wk = 0.0039841 k( 146) = ( 0.4843750 0.2796540 0.3984429), wk = 0.0039841 k( 147) = ( 0.5000000 0.2886751 0.3984429), wk = 0.0039841 k( 148) = ( 0.5000000 0.2886751 0.3984429), wk = 0.0039841 k( 149) = ( 0.4912281 0.3038686 0.3984429), wk = 0.0039841 k( 150) = ( 0.4824561 0.3190620 0.3984429), wk = 0.0039841 k( 151) = ( 0.4736842 0.3342554 0.3984429), wk = 0.0039841 k( 152) = ( 0.4649123 0.3494488 0.3984429), wk = 0.0039841 k( 153) = ( 0.4561404 0.3646423 0.3984429), wk = 0.0039841 k( 154) = ( 0.4473684 0.3798357 0.3984429), wk = 0.0039841 k( 155) = ( 0.4385965 0.3950291 0.3984429), wk = 0.0039841 k( 156) = ( 0.4298246 0.4102226 0.3984429), wk = 0.0039841 k( 157) = ( 0.4210526 0.4254160 0.3984429), wk = 0.0039841 k( 158) = ( 0.4122807 0.4406094 0.3984429), wk = 0.0039841 k( 159) = ( 0.4035088 0.4558028 0.3984429), wk = 0.0039841 k( 160) = ( 0.3947368 0.4709963 0.3984429), wk = 0.0039841 k( 161) = ( 0.3859649 0.4861897 0.3984429), wk = 0.0039841 k( 162) = ( 0.3771930 0.5013831 0.3984429), wk = 0.0039841 k( 163) = ( 0.3684211 0.5165765 0.3984429), wk = 0.0039841 k( 164) = ( 0.3596491 0.5317700 0.3984429), wk = 0.0039841 k( 165) = ( 0.3508772 0.5469634 0.3984429), wk = 0.0039841 k( 166) = ( 0.3421053 0.5621568 0.3984429), wk = 0.0039841 k( 167) = ( 0.3333333 0.5773503 0.3984429), wk = 0.0039841 k( 168) = ( 0.3333333 0.5773503 0.3984429), wk = 0.0039841 k( 169) = ( 0.3243243 0.5617462 0.3984429), wk = 0.0039841 k( 170) = ( 0.3153153 0.5461422 0.3984429), wk = 0.0039841 k( 171) = ( 0.3063063 0.5305381 0.3984429), wk = 0.0039841 k( 172) = ( 0.2972973 0.5149340 0.3984429), wk = 0.0039841 k( 173) = ( 0.2882883 0.4993300 0.3984429), wk = 0.0039841 k( 174) = ( 0.2792793 0.4837259 0.3984429), wk = 0.0039841 k( 175) = ( 0.2702703 0.4681218 0.3984429), wk = 0.0039841 k( 176) = ( 0.2612613 0.4525178 0.3984429), wk = 0.0039841 k( 177) = ( 0.2522523 0.4369137 0.3984429), wk = 0.0039841 k( 178) = ( 0.2432432 0.4213097 0.3984429), wk = 0.0039841 k( 179) = ( 0.2342342 0.4057056 0.3984429), wk = 0.0039841 k( 180) = ( 0.2252252 0.3901015 0.3984429), wk = 0.0039841 k( 181) = ( 0.2162162 0.3744975 0.3984429), wk = 0.0039841 k( 182) = ( 0.2072072 0.3588934 0.3984429), wk = 0.0039841 k( 183) = ( 0.1981982 0.3432894 0.3984429), wk = 0.0039841 k( 184) = ( 0.1891892 0.3276853 0.3984429), wk = 0.0039841 k( 185) = ( 0.1801802 0.3120812 0.3984429), wk = 0.0039841 k( 186) = ( 0.1711712 0.2964772 0.3984429), wk = 0.0039841 k( 187) = ( 0.1621622 0.2808731 0.3984429), wk = 0.0039841 k( 188) = ( 0.1531531 0.2652690 0.3984429), wk = 0.0039841 k( 189) = ( 0.1441441 0.2496650 0.3984429), wk = 0.0039841 k( 190) = ( 0.1351351 0.2340609 0.3984429), wk = 0.0039841 k( 191) = ( 0.1261261 0.2184569 0.3984429), wk = 0.0039841 k( 192) = ( 0.1171171 0.2028528 0.3984429), wk = 0.0039841 k( 193) = ( 0.1081081 0.1872487 0.3984429), wk = 0.0039841 k( 194) = ( 0.0990991 0.1716447 0.3984429), wk = 0.0039841 k( 195) = ( 0.0900901 0.1560406 0.3984429), wk = 0.0039841 k( 196) = ( 0.0810811 0.1404366 0.3984429), wk = 0.0039841 k( 197) = ( 0.0720721 0.1248325 0.3984429), wk = 0.0039841 k( 198) = ( 0.0630631 0.1092284 0.3984429), wk = 0.0039841 k( 199) = ( 0.0540540 0.0936244 0.3984429), wk = 0.0039841 k( 200) = ( 0.0450451 0.0780203 0.3984429), wk = 0.0039841 k( 201) = ( 0.0360360 0.0624163 0.3984429), wk = 0.0039841 k( 202) = ( 0.0270270 0.0468122 0.3984429), wk = 0.0039841 k( 203) = ( 0.0180180 0.0312081 0.3984429), wk = 0.0039841 k( 204) = ( 0.0090090 0.0156041 0.3984429), wk = 0.0039841 k( 205) = ( 0.0000000 0.0000000 0.3984429), wk = 0.0039841 k( 206) = ( 0.5000000 0.2886751 0.3984429), wk = 0.0039841 k( 207) = ( 0.5000000 0.2886751 0.3803318), wk = 0.0039841 k( 208) = ( 0.5000000 0.2886751 0.3622208), wk = 0.0039841 k( 209) = ( 0.5000000 0.2886751 0.3441098), wk = 0.0039841 k( 210) = ( 0.5000000 0.2886751 0.3259987), wk = 0.0039841 k( 211) = ( 0.5000000 0.2886751 0.3078877), wk = 0.0039841 k( 212) = ( 0.5000000 0.2886751 0.2897766), wk = 0.0039841 k( 213) = ( 0.5000000 0.2886751 0.2716656), wk = 0.0039841 k( 214) = ( 0.5000000 0.2886751 0.2535546), wk = 0.0039841 k( 215) = ( 0.5000000 0.2886751 0.2354435), wk = 0.0039841 k( 216) = ( 0.5000000 0.2886751 0.2173325), wk = 0.0039841 k( 217) = ( 0.5000000 0.2886751 0.1992214), wk = 0.0039841 k( 218) = ( 0.5000000 0.2886751 0.1811104), wk = 0.0039841 k( 219) = ( 0.5000000 0.2886751 0.1629994), wk = 0.0039841 k( 220) = ( 0.5000000 0.2886751 0.1448883), wk = 0.0039841 k( 221) = ( 0.5000000 0.2886751 0.1267773), wk = 0.0039841 k( 222) = ( 0.5000000 0.2886751 0.1086662), wk = 0.0039841 k( 223) = ( 0.5000000 0.2886751 0.0905552), wk = 0.0039841 k( 224) = ( 0.5000000 0.2886751 0.0724442), wk = 0.0039841 k( 225) = ( 0.5000000 0.2886751 0.0543331), wk = 0.0039841 k( 226) = ( 0.5000000 0.2886751 0.0362221), wk = 0.0039841 k( 227) = ( 0.5000000 0.2886751 0.0181110), wk = 0.0039841 k( 228) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0039841 k( 229) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0039841 k( 230) = ( 0.3333333 0.5773503 0.0181110), wk = 0.0039841 k( 231) = ( 0.3333333 0.5773503 0.0362221), wk = 0.0039841 k( 232) = ( 0.3333333 0.5773503 0.0543331), wk = 0.0039841 k( 233) = ( 0.3333333 0.5773503 0.0724442), wk = 0.0039841 k( 234) = ( 0.3333333 0.5773503 0.0905552), wk = 0.0039841 k( 235) = ( 0.3333333 0.5773503 0.1086662), wk = 0.0039841 k( 236) = ( 0.3333333 0.5773503 0.1267773), wk = 0.0039841 k( 237) = ( 0.3333333 0.5773503 0.1448883), wk = 0.0039841 k( 238) = ( 0.3333333 0.5773503 0.1629994), wk = 0.0039841 k( 239) = ( 0.3333333 0.5773503 0.1811104), wk = 0.0039841 k( 240) = ( 0.3333333 0.5773503 0.1992214), wk = 0.0039841 k( 241) = ( 0.3333333 0.5773503 0.2173325), wk = 0.0039841 k( 242) = ( 0.3333333 0.5773503 0.2354435), wk = 0.0039841 k( 243) = ( 0.3333333 0.5773503 0.2535546), wk = 0.0039841 k( 244) = ( 0.3333333 0.5773503 0.2716656), wk = 0.0039841 k( 245) = ( 0.3333333 0.5773503 0.2897766), wk = 0.0039841 k( 246) = ( 0.3333333 0.5773503 0.3078877), wk = 0.0039841 k( 247) = ( 0.3333333 0.5773503 0.3259987), wk = 0.0039841 k( 248) = ( 0.3333333 0.5773503 0.3441098), wk = 0.0039841 k( 249) = ( 0.3333333 0.5773503 0.3622208), wk = 0.0039841 k( 250) = ( 0.3333333 0.5773503 0.3803318), wk = 0.0039841 k( 251) = ( 0.3333333 0.5773503 0.3984429), wk = 0.0039841 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 2) = ( 0.0156250 -0.0000000 -0.0000000), wk = 0.0039841 k( 3) = ( 0.0312500 -0.0000000 -0.0000000), wk = 0.0039841 k( 4) = ( 0.0468750 0.0000000 -0.0000000), wk = 0.0039841 k( 5) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0039841 k( 6) = ( 0.0781250 -0.0000000 -0.0000000), wk = 0.0039841 k( 7) = ( 0.0937500 0.0000000 -0.0000000), wk = 0.0039841 k( 8) = ( 0.1093750 -0.0000000 -0.0000000), wk = 0.0039841 k( 9) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0039841 k( 10) = ( 0.1406250 -0.0000000 -0.0000000), wk = 0.0039841 k( 11) = ( 0.1562500 -0.0000000 -0.0000000), wk = 0.0039841 k( 12) = ( 0.1718750 -0.0000000 -0.0000000), wk = 0.0039841 k( 13) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0039841 k( 14) = ( 0.2031250 -0.0000000 -0.0000000), wk = 0.0039841 k( 15) = ( 0.2187500 -0.0000000 -0.0000000), wk = 0.0039841 k( 16) = ( 0.2343750 -0.0000000 -0.0000000), wk = 0.0039841 k( 17) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0039841 k( 18) = ( 0.2656250 0.0000000 -0.0000000), wk = 0.0039841 k( 19) = ( 0.2812500 -0.0000000 -0.0000000), wk = 0.0039841 k( 20) = ( 0.2968750 -0.0000000 -0.0000000), wk = 0.0039841 k( 21) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0039841 k( 22) = ( 0.3281250 -0.0000000 -0.0000000), wk = 0.0039841 k( 23) = ( 0.3437500 -0.0000000 -0.0000000), wk = 0.0039841 k( 24) = ( 0.3593750 -0.0000000 -0.0000000), wk = 0.0039841 k( 25) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0039841 k( 26) = ( 0.3906250 0.0000000 -0.0000000), wk = 0.0039841 k( 27) = ( 0.4062500 -0.0000000 -0.0000000), wk = 0.0039841 k( 28) = ( 0.4218750 -0.0000000 -0.0000000), wk = 0.0039841 k( 29) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0039841 k( 30) = ( 0.4531250 -0.0000000 -0.0000000), wk = 0.0039841 k( 31) = ( 0.4687500 -0.0000000 -0.0000000), wk = 0.0039841 k( 32) = ( 0.4843750 -0.0000000 -0.0000000), wk = 0.0039841 k( 33) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0039841 k( 34) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0039841 k( 35) = ( 0.4912281 0.0175439 -0.0000000), wk = 0.0039841 k( 36) = ( 0.4824561 0.0350877 -0.0000000), wk = 0.0039841 k( 37) = ( 0.4736842 0.0526316 -0.0000000), wk = 0.0039841 k( 38) = ( 0.4649123 0.0701754 -0.0000000), wk = 0.0039841 k( 39) = ( 0.4561404 0.0877193 -0.0000000), wk = 0.0039841 k( 40) = ( 0.4473684 0.1052632 -0.0000000), wk = 0.0039841 k( 41) = ( 0.4385965 0.1228070 -0.0000000), wk = 0.0039841 k( 42) = ( 0.4298246 0.1403509 -0.0000000), wk = 0.0039841 k( 43) = ( 0.4210526 0.1578947 -0.0000000), wk = 0.0039841 k( 44) = ( 0.4122807 0.1754386 0.0000000), wk = 0.0039841 k( 45) = ( 0.4035088 0.1929825 -0.0000000), wk = 0.0039841 k( 46) = ( 0.3947368 0.2105263 -0.0000000), wk = 0.0039841 k( 47) = ( 0.3859649 0.2280702 0.0000000), wk = 0.0039841 k( 48) = ( 0.3771930 0.2456140 -0.0000000), wk = 0.0039841 k( 49) = ( 0.3684211 0.2631579 -0.0000000), wk = 0.0039841 k( 50) = ( 0.3596491 0.2807018 -0.0000000), wk = 0.0039841 k( 51) = ( 0.3508772 0.2982456 0.0000000), wk = 0.0039841 k( 52) = ( 0.3421053 0.3157895 0.0000000), wk = 0.0039841 k( 53) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0039841 k( 54) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0039841 k( 55) = ( 0.3243243 0.3243243 -0.0000000), wk = 0.0039841 k( 56) = ( 0.3153153 0.3153153 -0.0000000), wk = 0.0039841 k( 57) = ( 0.3063063 0.3063063 0.0000000), wk = 0.0039841 k( 58) = ( 0.2972973 0.2972973 -0.0000000), wk = 0.0039841 k( 59) = ( 0.2882883 0.2882883 -0.0000000), wk = 0.0039841 k( 60) = ( 0.2792793 0.2792793 -0.0000000), wk = 0.0039841 k( 61) = ( 0.2702703 0.2702703 -0.0000000), wk = 0.0039841 k( 62) = ( 0.2612613 0.2612613 -0.0000000), wk = 0.0039841 k( 63) = ( 0.2522523 0.2522523 -0.0000000), wk = 0.0039841 k( 64) = ( 0.2432432 0.2432432 -0.0000000), wk = 0.0039841 k( 65) = ( 0.2342342 0.2342342 -0.0000000), wk = 0.0039841 k( 66) = ( 0.2252252 0.2252252 -0.0000000), wk = 0.0039841 k( 67) = ( 0.2162162 0.2162162 0.0000000), wk = 0.0039841 k( 68) = ( 0.2072072 0.2072072 -0.0000000), wk = 0.0039841 k( 69) = ( 0.1981982 0.1981982 -0.0000000), wk = 0.0039841 k( 70) = ( 0.1891892 0.1891892 -0.0000000), wk = 0.0039841 k( 71) = ( 0.1801802 0.1801802 -0.0000000), wk = 0.0039841 k( 72) = ( 0.1711712 0.1711712 0.0000000), wk = 0.0039841 k( 73) = ( 0.1621622 0.1621622 -0.0000000), wk = 0.0039841 k( 74) = ( 0.1531531 0.1531532 0.0000000), wk = 0.0039841 k( 75) = ( 0.1441441 0.1441441 -0.0000000), wk = 0.0039841 k( 76) = ( 0.1351351 0.1351351 -0.0000000), wk = 0.0039841 k( 77) = ( 0.1261261 0.1261261 0.0000000), wk = 0.0039841 k( 78) = ( 0.1171171 0.1171171 -0.0000000), wk = 0.0039841 k( 79) = ( 0.1081081 0.1081081 0.0000000), wk = 0.0039841 k( 80) = ( 0.0990991 0.0990991 -0.0000000), wk = 0.0039841 k( 81) = ( 0.0900901 0.0900901 -0.0000000), wk = 0.0039841 k( 82) = ( 0.0810811 0.0810811 -0.0000000), wk = 0.0039841 k( 83) = ( 0.0720721 0.0720721 -0.0000000), wk = 0.0039841 k( 84) = ( 0.0630631 0.0630631 -0.0000000), wk = 0.0039841 k( 85) = ( 0.0540540 0.0540541 0.0000000), wk = 0.0039841 k( 86) = ( 0.0450451 0.0450450 -0.0000000), wk = 0.0039841 k( 87) = ( 0.0360360 0.0360360 -0.0000000), wk = 0.0039841 k( 88) = ( 0.0270270 0.0270270 0.0000000), wk = 0.0039841 k( 89) = ( 0.0180180 0.0180180 -0.0000000), wk = 0.0039841 k( 90) = ( 0.0090090 0.0090090 -0.0000000), wk = 0.0039841 k( 91) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 93) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0039841 k( 94) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0039841 k( 95) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0039841 k( 96) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0039841 k( 97) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0039841 k( 98) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0039841 k( 99) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0039841 k( 100) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0039841 k( 101) = ( 0.0000000 0.0000000 0.2045455), wk = 0.0039841 k( 102) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0039841 k( 103) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0039841 k( 104) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0039841 k( 105) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0039841 k( 106) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0039841 k( 107) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0039841 k( 108) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0039841 k( 109) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0039841 k( 110) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0039841 k( 111) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0039841 k( 112) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0039841 k( 113) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0039841 k( 114) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039841 k( 115) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039841 k( 116) = ( 0.0156250 -0.0000000 0.5000000), wk = 0.0039841 k( 117) = ( 0.0312500 -0.0000000 0.5000000), wk = 0.0039841 k( 118) = ( 0.0468750 0.0000000 0.5000000), wk = 0.0039841 k( 119) = ( 0.0625000 -0.0000000 0.5000000), wk = 0.0039841 k( 120) = ( 0.0781250 -0.0000000 0.5000000), wk = 0.0039841 k( 121) = ( 0.0937500 0.0000000 0.5000000), wk = 0.0039841 k( 122) = ( 0.1093750 -0.0000000 0.5000000), wk = 0.0039841 k( 123) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0039841 k( 124) = ( 0.1406250 -0.0000000 0.5000000), wk = 0.0039841 k( 125) = ( 0.1562500 -0.0000000 0.5000000), wk = 0.0039841 k( 126) = ( 0.1718750 -0.0000000 0.5000000), wk = 0.0039841 k( 127) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0039841 k( 128) = ( 0.2031250 -0.0000000 0.5000000), wk = 0.0039841 k( 129) = ( 0.2187500 -0.0000000 0.5000000), wk = 0.0039841 k( 130) = ( 0.2343750 -0.0000000 0.5000000), wk = 0.0039841 k( 131) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0039841 k( 132) = ( 0.2656250 0.0000000 0.5000000), wk = 0.0039841 k( 133) = ( 0.2812500 -0.0000000 0.5000000), wk = 0.0039841 k( 134) = ( 0.2968750 -0.0000000 0.5000000), wk = 0.0039841 k( 135) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0039841 k( 136) = ( 0.3281250 -0.0000000 0.5000000), wk = 0.0039841 k( 137) = ( 0.3437500 -0.0000000 0.5000000), wk = 0.0039841 k( 138) = ( 0.3593750 -0.0000000 0.5000000), wk = 0.0039841 k( 139) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0039841 k( 140) = ( 0.3906250 0.0000000 0.5000000), wk = 0.0039841 k( 141) = ( 0.4062500 -0.0000000 0.5000000), wk = 0.0039841 k( 142) = ( 0.4218750 -0.0000000 0.5000000), wk = 0.0039841 k( 143) = ( 0.4375000 -0.0000000 0.5000000), wk = 0.0039841 k( 144) = ( 0.4531250 -0.0000000 0.5000000), wk = 0.0039841 k( 145) = ( 0.4687500 -0.0000000 0.5000000), wk = 0.0039841 k( 146) = ( 0.4843750 -0.0000000 0.5000000), wk = 0.0039841 k( 147) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0039841 k( 148) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0039841 k( 149) = ( 0.4912281 0.0175439 0.5000000), wk = 0.0039841 k( 150) = ( 0.4824561 0.0350877 0.5000000), wk = 0.0039841 k( 151) = ( 0.4736842 0.0526316 0.5000000), wk = 0.0039841 k( 152) = ( 0.4649123 0.0701754 0.5000000), wk = 0.0039841 k( 153) = ( 0.4561404 0.0877193 0.5000000), wk = 0.0039841 k( 154) = ( 0.4473684 0.1052632 0.5000000), wk = 0.0039841 k( 155) = ( 0.4385965 0.1228070 0.5000000), wk = 0.0039841 k( 156) = ( 0.4298246 0.1403509 0.5000000), wk = 0.0039841 k( 157) = ( 0.4210526 0.1578947 0.5000000), wk = 0.0039841 k( 158) = ( 0.4122807 0.1754386 0.5000000), wk = 0.0039841 k( 159) = ( 0.4035088 0.1929825 0.5000000), wk = 0.0039841 k( 160) = ( 0.3947368 0.2105263 0.5000000), wk = 0.0039841 k( 161) = ( 0.3859649 0.2280702 0.5000000), wk = 0.0039841 k( 162) = ( 0.3771930 0.2456140 0.5000000), wk = 0.0039841 k( 163) = ( 0.3684211 0.2631579 0.5000000), wk = 0.0039841 k( 164) = ( 0.3596491 0.2807018 0.5000000), wk = 0.0039841 k( 165) = ( 0.3508772 0.2982456 0.5000000), wk = 0.0039841 k( 166) = ( 0.3421053 0.3157895 0.5000000), wk = 0.0039841 k( 167) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0039841 k( 168) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0039841 k( 169) = ( 0.3243243 0.3243243 0.5000000), wk = 0.0039841 k( 170) = ( 0.3153153 0.3153153 0.5000000), wk = 0.0039841 k( 171) = ( 0.3063063 0.3063063 0.5000000), wk = 0.0039841 k( 172) = ( 0.2972973 0.2972973 0.5000000), wk = 0.0039841 k( 173) = ( 0.2882883 0.2882883 0.5000000), wk = 0.0039841 k( 174) = ( 0.2792793 0.2792793 0.5000000), wk = 0.0039841 k( 175) = ( 0.2702703 0.2702703 0.5000000), wk = 0.0039841 k( 176) = ( 0.2612613 0.2612613 0.5000000), wk = 0.0039841 k( 177) = ( 0.2522523 0.2522523 0.5000000), wk = 0.0039841 k( 178) = ( 0.2432432 0.2432432 0.5000000), wk = 0.0039841 k( 179) = ( 0.2342342 0.2342342 0.5000000), wk = 0.0039841 k( 180) = ( 0.2252252 0.2252252 0.5000000), wk = 0.0039841 k( 181) = ( 0.2162162 0.2162162 0.5000000), wk = 0.0039841 k( 182) = ( 0.2072072 0.2072072 0.5000000), wk = 0.0039841 k( 183) = ( 0.1981982 0.1981982 0.5000000), wk = 0.0039841 k( 184) = ( 0.1891892 0.1891892 0.5000000), wk = 0.0039841 k( 185) = ( 0.1801802 0.1801802 0.5000000), wk = 0.0039841 k( 186) = ( 0.1711712 0.1711712 0.5000000), wk = 0.0039841 k( 187) = ( 0.1621622 0.1621622 0.5000000), wk = 0.0039841 k( 188) = ( 0.1531531 0.1531532 0.5000000), wk = 0.0039841 k( 189) = ( 0.1441441 0.1441441 0.5000000), wk = 0.0039841 k( 190) = ( 0.1351351 0.1351351 0.5000000), wk = 0.0039841 k( 191) = ( 0.1261261 0.1261261 0.5000000), wk = 0.0039841 k( 192) = ( 0.1171171 0.1171171 0.5000000), wk = 0.0039841 k( 193) = ( 0.1081081 0.1081081 0.5000000), wk = 0.0039841 k( 194) = ( 0.0990991 0.0990991 0.5000000), wk = 0.0039841 k( 195) = ( 0.0900901 0.0900901 0.5000000), wk = 0.0039841 k( 196) = ( 0.0810811 0.0810811 0.5000000), wk = 0.0039841 k( 197) = ( 0.0720721 0.0720721 0.5000000), wk = 0.0039841 k( 198) = ( 0.0630631 0.0630631 0.5000000), wk = 0.0039841 k( 199) = ( 0.0540540 0.0540541 0.5000000), wk = 0.0039841 k( 200) = ( 0.0450451 0.0450450 0.5000000), wk = 0.0039841 k( 201) = ( 0.0360360 0.0360360 0.5000000), wk = 0.0039841 k( 202) = ( 0.0270270 0.0270270 0.5000000), wk = 0.0039841 k( 203) = ( 0.0180180 0.0180180 0.5000000), wk = 0.0039841 k( 204) = ( 0.0090090 0.0090090 0.5000000), wk = 0.0039841 k( 205) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039841 k( 206) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0039841 k( 207) = ( 0.5000000 -0.0000000 0.4772727), wk = 0.0039841 k( 208) = ( 0.5000000 -0.0000000 0.4545455), wk = 0.0039841 k( 209) = ( 0.5000000 -0.0000000 0.4318182), wk = 0.0039841 k( 210) = ( 0.5000000 -0.0000000 0.4090909), wk = 0.0039841 k( 211) = ( 0.5000000 -0.0000000 0.3863636), wk = 0.0039841 k( 212) = ( 0.5000000 -0.0000000 0.3636364), wk = 0.0039841 k( 213) = ( 0.5000000 -0.0000000 0.3409091), wk = 0.0039841 k( 214) = ( 0.5000000 -0.0000000 0.3181818), wk = 0.0039841 k( 215) = ( 0.5000000 -0.0000000 0.2954546), wk = 0.0039841 k( 216) = ( 0.5000000 -0.0000000 0.2727273), wk = 0.0039841 k( 217) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0039841 k( 218) = ( 0.5000000 -0.0000000 0.2272727), wk = 0.0039841 k( 219) = ( 0.5000000 -0.0000000 0.2045454), wk = 0.0039841 k( 220) = ( 0.5000000 -0.0000000 0.1818182), wk = 0.0039841 k( 221) = ( 0.5000000 -0.0000000 0.1590909), wk = 0.0039841 k( 222) = ( 0.5000000 -0.0000000 0.1363636), wk = 0.0039841 k( 223) = ( 0.5000000 -0.0000000 0.1136364), wk = 0.0039841 k( 224) = ( 0.5000000 -0.0000000 0.0909091), wk = 0.0039841 k( 225) = ( 0.5000000 -0.0000000 0.0681818), wk = 0.0039841 k( 226) = ( 0.5000000 -0.0000000 0.0454546), wk = 0.0039841 k( 227) = ( 0.5000000 -0.0000000 0.0227273), wk = 0.0039841 k( 228) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0039841 k( 229) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0039841 k( 230) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0039841 k( 231) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0039841 k( 232) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0039841 k( 233) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0039841 k( 234) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0039841 k( 235) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0039841 k( 236) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0039841 k( 237) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0039841 k( 238) = ( 0.3333333 0.3333333 0.2045455), wk = 0.0039841 k( 239) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0039841 k( 240) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0039841 k( 241) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0039841 k( 242) = ( 0.3333333 0.3333333 0.2954546), wk = 0.0039841 k( 243) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0039841 k( 244) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0039841 k( 245) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0039841 k( 246) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0039841 k( 247) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0039841 k( 248) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0039841 k( 249) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0039841 k( 250) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0039841 k( 251) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0039841 Dense grid: 99557 G-vectors FFT dimensions: ( 60, 60, 72) Smooth grid: 39705 G-vectors FFT dimensions: ( 45, 45, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 146, 58) NL pseudopotentials 0.23 Mb ( 73, 204) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1381) G-vector shells 0.01 Mb ( 705) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 146, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.36 Mb ( 204, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Rb2Te.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.2 secs Computing kpt #: 6 total cpu time spent up to now is 6.9 secs Computing kpt #: 7 total cpu time spent up to now is 7.7 secs Computing kpt #: 8 total cpu time spent up to now is 8.4 secs Computing kpt #: 9 total cpu time spent up to now is 9.1 secs Computing kpt #: 10 total cpu time spent up to now is 9.9 secs Computing kpt #: 11 total cpu time spent up to now is 10.6 secs Computing kpt #: 12 total cpu time spent up to now is 11.9 secs Computing kpt #: 13 total cpu time spent up to now is 12.7 secs Computing kpt #: 14 total cpu time spent up to now is 13.4 secs Computing kpt #: 15 total cpu time spent up to now is 14.1 secs Computing kpt #: 16 total cpu time spent up to now is 14.9 secs Computing kpt #: 17 total cpu time spent up to now is 15.7 secs Computing kpt #: 18 total cpu time spent up to now is 16.5 secs Computing kpt #: 19 total cpu time spent up to now is 17.2 secs Computing kpt #: 20 total cpu time spent up to now is 18.0 secs Computing kpt #: 21 total cpu time spent up to now is 18.8 secs Computing kpt #: 22 total cpu time spent up to now is 19.6 secs Computing kpt #: 23 total cpu time spent up to now is 20.4 secs Computing kpt #: 24 total cpu time spent up to now is 21.2 secs Computing kpt #: 25 total cpu time spent up to now is 22.1 secs Computing kpt #: 26 total cpu time spent up to now is 22.9 secs Computing kpt #: 27 total cpu time spent up to now is 23.8 secs Computing kpt #: 28 total cpu time spent up to now is 24.6 secs Computing kpt #: 29 total cpu time spent up to now is 25.4 secs Computing kpt #: 30 total cpu time spent up to now is 26.2 secs Computing kpt #: 31 total cpu time spent up to now is 27.1 secs Computing kpt #: 32 total cpu time spent up to now is 27.9 secs Computing kpt #: 33 total cpu time spent up to now is 28.7 secs Computing kpt #: 34 total cpu time spent up to now is 29.5 secs Computing kpt #: 35 total cpu time spent up to now is 30.3 secs Computing kpt #: 36 total cpu time spent up to now is 31.2 secs Computing kpt #: 37 total cpu time spent up to now is 32.0 secs Computing kpt #: 38 total cpu time spent up to now is 32.8 secs Computing kpt #: 39 total cpu time spent up to now is 33.7 secs Computing kpt #: 40 total cpu time spent up to now is 34.5 secs Computing kpt #: 41 total cpu time spent up to now is 35.3 secs Computing kpt #: 42 total cpu time spent up to now is 36.1 secs Computing kpt #: 43 total cpu time spent up to now is 36.9 secs Computing kpt #: 44 total cpu time spent up to now is 37.8 secs Computing kpt #: 45 total cpu time spent up to now is 38.6 secs Computing kpt #: 46 total cpu time spent up to now is 39.4 secs Computing kpt #: 47 total cpu time spent up to now is 40.2 secs Computing kpt #: 48 total cpu time spent up to now is 41.1 secs Computing kpt #: 49 total cpu time spent up to now is 41.9 secs Computing kpt #: 50 total cpu time spent up to now is 42.7 secs Computing kpt #: 51 total cpu time spent up to now is 43.5 secs Computing kpt #: 52 total cpu time spent up to now is 44.4 secs Computing kpt #: 53 total cpu time spent up to now is 45.3 secs Computing kpt #: 54 total cpu time spent up to now is 47.0 secs Computing kpt #: 55 total cpu time spent up to now is 47.9 secs Computing kpt #: 56 total cpu time spent up to now is 48.7 secs Computing kpt #: 57 total cpu time spent up to now is 49.6 secs Computing kpt #: 58 total cpu time spent up to now is 50.4 secs Computing kpt #: 59 total cpu time spent up to now is 51.2 secs Computing kpt #: 60 total cpu time spent up to now is 52.0 secs Computing kpt #: 61 total cpu time spent up to now is 53.2 secs Computing kpt #: 62 total cpu time spent up to now is 54.0 secs Computing kpt #: 63 total cpu time spent up to now is 54.8 secs Computing kpt #: 64 total cpu time spent up to now is 55.6 secs Computing kpt #: 65 total cpu time spent up to now is 56.4 secs Computing kpt #: 66 total cpu time spent up to now is 57.2 secs Computing kpt #: 67 total cpu time spent up to now is 58.0 secs Computing kpt #: 68 total cpu time spent up to now is 58.8 secs Computing kpt #: 69 total cpu time spent up to now is 59.6 secs Computing kpt #: 70 total cpu time spent up to now is 60.4 secs Computing kpt #: 71 total cpu time spent up to now is 61.2 secs Computing kpt #: 72 total cpu time spent up to now is 62.0 secs Computing kpt #: 73 total cpu time spent up to now is 62.8 secs Computing kpt #: 74 total cpu time spent up to now is 63.6 secs Computing kpt #: 75 total cpu time spent up to now is 64.4 secs Computing kpt #: 76 total cpu time spent up to now is 65.1 secs Computing kpt #: 77 total cpu time spent up to now is 65.8 secs Computing kpt #: 78 total cpu time spent up to now is 66.5 secs Computing kpt #: 79 total cpu time spent up to now is 67.3 secs Computing kpt #: 80 total cpu time spent up to now is 68.1 secs Computing kpt #: 81 total cpu time spent up to now is 68.8 secs Computing kpt #: 82 total cpu time spent up to now is 69.5 secs Computing kpt #: 83 total cpu time spent up to now is 70.2 secs Computing kpt #: 84 total cpu time spent up to now is 70.9 secs Computing kpt #: 85 total cpu time spent up to now is 71.6 secs Computing kpt #: 86 total cpu time spent up to now is 72.3 secs Computing kpt #: 87 total cpu time spent up to now is 73.0 secs Computing kpt #: 88 total cpu time spent up to now is 73.7 secs Computing kpt #: 89 total cpu time spent up to now is 74.4 secs Computing kpt #: 90 total cpu time spent up to now is 75.2 secs Computing kpt #: 91 total cpu time spent up to now is 76.0 secs Computing kpt #: 92 total cpu time spent up to now is 76.8 secs Computing kpt #: 93 total cpu time spent up to now is 77.6 secs Computing kpt #: 94 total cpu time spent up to now is 78.4 secs Computing kpt #: 95 total cpu time spent up to now is 79.2 secs Computing kpt #: 96 total cpu time spent up to now is 79.9 secs Computing kpt #: 97 total cpu time spent up to now is 80.7 secs Computing kpt #: 98 total cpu time spent up to now is 81.5 secs Computing kpt #: 99 total cpu time spent up to now is 82.3 secs Computing kpt #: 100 total cpu time spent up to now is 83.1 secs Computing kpt #: 101 total cpu time spent up to now is 83.9 secs Computing kpt #: 102 total cpu time spent up to now is 84.7 secs Computing kpt #: 103 total cpu time spent up to now is 85.5 secs Computing kpt #: 104 total cpu time spent up to now is 86.3 secs Computing kpt #: 105 total cpu time spent up to now is 87.1 secs Computing kpt #: 106 total cpu time spent up to now is 88.0 secs Computing kpt #: 107 total cpu time spent up to now is 88.7 secs Computing kpt #: 108 total cpu time spent up to now is 89.5 secs Computing kpt #: 109 total cpu time spent up to now is 90.3 secs Computing kpt #: 110 total cpu time spent up to now is 91.1 secs Computing kpt #: 111 total cpu time spent up to now is 91.9 secs Computing kpt #: 112 total cpu time spent up to now is 92.8 secs Computing kpt #: 113 total cpu time spent up to now is 93.7 secs Computing kpt #: 114 total cpu time spent up to now is 94.5 secs Computing kpt #: 115 total cpu time spent up to now is 95.3 secs Computing kpt #: 116 total cpu time spent up to now is 96.1 secs Computing kpt #: 117 total cpu time spent up to now is 96.9 secs Computing kpt #: 118 total cpu time spent up to now is 97.7 secs Computing kpt #: 119 total cpu time spent up to now is 98.5 secs Computing kpt #: 120 total cpu time spent up to now is 99.3 secs Computing kpt #: 121 total cpu time spent up to now is 100.1 secs Computing kpt #: 122 total cpu time spent up to now is 100.9 secs Computing kpt #: 123 total cpu time spent up to now is 101.7 secs Computing kpt #: 124 total cpu time spent up to now is 102.5 secs Computing kpt #: 125 total cpu time spent up to now is 103.2 secs Computing kpt #: 126 total cpu time spent up to now is 103.9 secs Computing kpt #: 127 total cpu time spent up to now is 104.6 secs Computing kpt #: 128 total cpu time spent up to now is 105.3 secs Computing kpt #: 129 total cpu time spent up to now is 106.0 secs Computing kpt #: 130 total cpu time spent up to now is 106.7 secs Computing kpt #: 131 total cpu time spent up to now is 107.4 secs Computing kpt #: 132 total cpu time spent up to now is 108.1 secs Computing kpt #: 133 total cpu time spent up to now is 108.8 secs Computing kpt #: 134 total cpu time spent up to now is 109.5 secs Computing kpt #: 135 total cpu time spent up to now is 110.3 secs Computing kpt #: 136 total cpu time spent up to now is 111.2 secs Computing kpt #: 137 total cpu time spent up to now is 112.0 secs Computing kpt #: 138 total cpu time spent up to now is 112.8 secs Computing kpt #: 139 total cpu time spent up to now is 113.8 secs Computing kpt #: 140 total cpu time spent up to now is 114.6 secs Computing kpt #: 141 total cpu time spent up to now is 115.5 secs Computing kpt #: 142 total cpu time spent up to now is 116.4 secs Computing kpt #: 143 total cpu time spent up to now is 117.3 secs Computing kpt #: 144 total cpu time spent up to now is 118.1 secs Computing kpt #: 145 total cpu time spent up to now is 119.1 secs Computing kpt #: 146 total cpu time spent up to now is 120.0 secs Computing kpt #: 147 total cpu time spent up to now is 120.9 secs Computing kpt #: 148 total cpu time spent up to now is 121.9 secs Computing kpt #: 149 total cpu time spent up to now is 122.8 secs Computing kpt #: 150 total cpu time spent up to now is 123.7 secs Computing kpt #: 151 total cpu time spent up to now is 124.6 secs Computing kpt #: 152 total cpu time spent up to now is 125.5 secs Computing kpt #: 153 total cpu time spent up to now is 126.3 secs Computing kpt #: 154 total cpu time spent up to now is 127.2 secs Computing kpt #: 155 total cpu time spent up to now is 128.1 secs Computing kpt #: 156 total cpu time spent up to now is 129.2 secs Computing kpt #: 157 total cpu time spent up to now is 130.1 secs Computing kpt #: 158 total cpu time spent up to now is 131.0 secs Computing kpt #: 159 total cpu time spent up to now is 131.9 secs Computing kpt #: 160 total cpu time spent up to now is 132.8 secs Computing kpt #: 161 total cpu time spent up to now is 133.7 secs Computing kpt #: 162 total cpu time spent up to now is 135.8 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 138.0 secs Computing kpt #: 164 total cpu time spent up to now is 140.1 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 142.3 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.5 secs Computing kpt #: 167 total cpu time spent up to now is 145.7 secs Computing kpt #: 168 total cpu time spent up to now is 147.5 secs Computing kpt #: 169 total cpu time spent up to now is 149.5 secs Computing kpt #: 170 total cpu time spent up to now is 150.7 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 152.9 secs Computing kpt #: 172 total cpu time spent up to now is 154.0 secs Computing kpt #: 173 total cpu time spent up to now is 154.9 secs Computing kpt #: 174 total cpu time spent up to now is 155.8 secs Computing kpt #: 175 total cpu time spent up to now is 156.7 secs Computing kpt #: 176 total cpu time spent up to now is 157.6 secs Computing kpt #: 177 total cpu time spent up to now is 158.4 secs Computing kpt #: 178 total cpu time spent up to now is 159.3 secs Computing kpt #: 179 total cpu time spent up to now is 160.1 secs Computing kpt #: 180 total cpu time spent up to now is 161.2 secs Computing kpt #: 181 total cpu time spent up to now is 162.0 secs Computing kpt #: 182 total cpu time spent up to now is 162.8 secs Computing kpt #: 183 total cpu time spent up to now is 163.6 secs Computing kpt #: 184 total cpu time spent up to now is 164.4 secs Computing kpt #: 185 total cpu time spent up to now is 165.3 secs Computing kpt #: 186 total cpu time spent up to now is 166.1 secs Computing kpt #: 187 total cpu time spent up to now is 166.9 secs Computing kpt #: 188 total cpu time spent up to now is 167.7 secs Computing kpt #: 189 total cpu time spent up to now is 168.5 secs Computing kpt #: 190 total cpu time spent up to now is 169.3 secs Computing kpt #: 191 total cpu time spent up to now is 170.1 secs Computing kpt #: 192 total cpu time spent up to now is 170.9 secs Computing kpt #: 193 total cpu time spent up to now is 171.8 secs Computing kpt #: 194 total cpu time spent up to now is 172.6 secs Computing kpt #: 195 total cpu time spent up to now is 173.4 secs Computing kpt #: 196 total cpu time spent up to now is 174.2 secs Computing kpt #: 197 total cpu time spent up to now is 175.0 secs Computing kpt #: 198 total cpu time spent up to now is 176.1 secs Computing kpt #: 199 total cpu time spent up to now is 176.9 secs Computing kpt #: 200 total cpu time spent up to now is 177.7 secs Computing kpt #: 201 total cpu time spent up to now is 178.5 secs Computing kpt #: 202 total cpu time spent up to now is 179.4 secs Computing kpt #: 203 total cpu time spent up to now is 180.5 secs Computing kpt #: 204 total cpu time spent up to now is 181.5 secs Computing kpt #: 205 total cpu time spent up to now is 182.3 secs Computing kpt #: 206 total cpu time spent up to now is 183.3 secs Computing kpt #: 207 total cpu time spent up to now is 184.2 secs Computing kpt #: 208 total cpu time spent up to now is 185.1 secs Computing kpt #: 209 total cpu time spent up to now is 186.0 secs Computing kpt #: 210 total cpu time spent up to now is 187.3 secs Computing kpt #: 211 total cpu time spent up to now is 188.1 secs Computing kpt #: 212 total cpu time spent up to now is 189.0 secs Computing kpt #: 213 total cpu time spent up to now is 189.9 secs Computing kpt #: 214 total cpu time spent up to now is 191.3 secs Computing kpt #: 215 total cpu time spent up to now is 192.1 secs Computing kpt #: 216 total cpu time spent up to now is 193.0 secs Computing kpt #: 217 total cpu time spent up to now is 193.9 secs Computing kpt #: 218 total cpu time spent up to now is 194.7 secs Computing kpt #: 219 total cpu time spent up to now is 195.6 secs Computing kpt #: 220 total cpu time spent up to now is 196.4 secs Computing kpt #: 221 total cpu time spent up to now is 197.2 secs Computing kpt #: 222 total cpu time spent up to now is 198.1 secs Computing kpt #: 223 total cpu time spent up to now is 198.9 secs Computing kpt #: 224 total cpu time spent up to now is 199.7 secs Computing kpt #: 225 total cpu time spent up to now is 200.5 secs Computing kpt #: 226 total cpu time spent up to now is 201.3 secs Computing kpt #: 227 total cpu time spent up to now is 202.2 secs Computing kpt #: 228 total cpu time spent up to now is 203.0 secs Computing kpt #: 229 total cpu time spent up to now is 203.9 secs Computing kpt #: 230 total cpu time spent up to now is 204.8 secs Computing kpt #: 231 total cpu time spent up to now is 205.8 secs Computing kpt #: 232 total cpu time spent up to now is 206.8 secs Computing kpt #: 233 total cpu time spent up to now is 207.7 secs Computing kpt #: 234 total cpu time spent up to now is 208.6 secs Computing kpt #: 235 total cpu time spent up to now is 209.6 secs Computing kpt #: 236 total cpu time spent up to now is 210.5 secs Computing kpt #: 237 total cpu time spent up to now is 211.3 secs Computing kpt #: 238 total cpu time spent up to now is 212.2 secs Computing kpt #: 239 total cpu time spent up to now is 213.0 secs Computing kpt #: 240 total cpu time spent up to now is 213.9 secs Computing kpt #: 241 total cpu time spent up to now is 214.7 secs Computing kpt #: 242 total cpu time spent up to now is 215.5 secs Computing kpt #: 243 total cpu time spent up to now is 216.4 secs Computing kpt #: 244 total cpu time spent up to now is 217.2 secs Computing kpt #: 245 total cpu time spent up to now is 218.0 secs Computing kpt #: 246 total cpu time spent up to now is 218.8 secs Computing kpt #: 247 total cpu time spent up to now is 219.6 secs Computing kpt #: 248 total cpu time spent up to now is 220.5 secs Computing kpt #: 249 total cpu time spent up to now is 221.4 secs Computing kpt #: 250 total cpu time spent up to now is 222.5 secs Computing kpt #: 251 total cpu time spent up to now is 224.0 secs ethr = 2.08E-08, avg # of iterations = 26.5 total cpu time spent up to now is 224.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4951 PWs) bands (ev): -21.5780 -21.5780 -21.4916 -21.4916 -20.6637 -20.6637 -20.6621 -20.6621 -6.5272 -6.5272 -6.2624 -6.2624 -5.6358 -5.6358 -5.5296 -5.5296 -5.5098 -5.5098 -5.4049 -5.4049 -5.2787 -5.2787 -5.1861 -5.1861 -4.7065 -4.7065 -4.6780 -4.6780 -4.5435 -4.5435 -4.4912 -4.4912 -3.5646 -3.5646 -3.2462 -3.2462 4.1800 4.1800 4.6923 4.6923 4.7272 4.7272 4.7957 4.7957 5.3885 5.3885 5.9638 5.9638 7.8019 7.8019 9.0113 9.0113 9.0140 9.0140 9.2200 9.2200 9.6920 9.6920 k = 0.0156 0.0090-0.0000 ( 4969 PWs) bands (ev): -21.5780 -21.5780 -21.4916 -21.4916 -20.6637 -20.6637 -20.6621 -20.6621 -6.5273 -6.5273 -6.2624 -6.2624 -5.6368 -5.6368 -5.5342 -5.5342 -5.5044 -5.5044 -5.4053 -5.4053 -5.2788 -5.2788 -5.1863 -5.1863 -4.7065 -4.7065 -4.6777 -4.6777 -4.5446 -4.5446 -4.4916 -4.4916 -3.5625 -3.5625 -3.2457 -3.2457 4.1808 4.1808 4.6931 4.6931 4.7277 4.7277 4.7946 4.7946 5.3862 5.3862 5.9618 5.9618 7.8086 7.8086 9.0133 9.0133 9.0174 9.0174 9.2211 9.2211 9.6867 9.6867 k = 0.0312 0.0180-0.0000 ( 4971 PWs) bands (ev): -21.5780 -21.5780 -21.4916 -21.4916 -20.6638 -20.6638 -20.6621 -20.6621 -6.5275 -6.5275 -6.2625 -6.2625 -5.6401 -5.6401 -5.5421 -5.5421 -5.4938 -5.4938 -5.4064 -5.4064 -5.2789 -5.2789 -5.1866 -5.1866 -4.7065 -4.7065 -4.6769 -4.6769 -4.5479 -4.5479 -4.4928 -4.4928 -3.5561 -3.5561 -3.2442 -3.2442 4.1832 4.1832 4.6956 4.6956 4.7293 4.7293 4.7912 4.7912 5.3795 5.3795 5.9559 5.9559 7.8287 7.8287 9.0173 9.0173 9.0299 9.0299 9.2244 9.2244 9.6675 9.6675 k = 0.0469 0.0271-0.0000 ( 4965 PWs) bands (ev): -21.5779 -21.5779 -21.4916 -21.4916 -20.6638 -20.6638 -20.6622 -20.6622 -6.5279 -6.5279 -6.2626 -6.2626 -5.6454 -5.6454 -5.5497 -5.5497 -5.4820 -5.4820 -5.4082 -5.4082 -5.2790 -5.2790 -5.1871 -5.1871 -4.7064 -4.7064 -4.6756 -4.6756 -4.5534 -4.5534 -4.4945 -4.4945 -3.5457 -3.5457 -3.2418 -3.2418 4.1871 4.1871 4.6998 4.6998 4.7314 4.7314 4.7860 4.7860 5.3688 5.3688 5.9464 5.9464 7.8613 7.8613 9.0234 9.0234 9.0509 9.0509 9.2299 9.2299 9.6316 9.6316 k = 0.0625 0.0361-0.0000 ( 4981 PWs) bands (ev): -21.5779 -21.5779 -21.4916 -21.4916 -20.6639 -20.6639 -20.6622 -20.6622 -6.5284 -6.5284 -6.2627 -6.2627 -5.6527 -5.6527 -5.5564 -5.5564 -5.4697 -5.4697 -5.4107 -5.4107 -5.2792 -5.2792 -5.1878 -5.1878 -4.7064 -4.7064 -4.6737 -4.6737 -4.5611 -4.5611 -4.4965 -4.4965 -3.5315 -3.5315 -3.2385 -3.2385 4.1926 4.1926 4.7056 4.7056 4.7330 4.7330 4.7798 4.7798 5.3550 5.3550 5.9334 5.9334 7.9057 7.9057 9.0318 9.0318 9.0800 9.0800 9.2376 9.2376 9.5839 9.5839 k = 0.0781 0.0451-0.0000 ( 4981 PWs) bands (ev): -21.5777 -21.5777 -21.4916 -21.4916 -20.6639 -20.6639 -20.6622 -20.6622 -6.5291 -6.5291 -6.2629 -6.2629 -5.6616 -5.6616 -5.5620 -5.5620 -5.4577 -5.4577 -5.4136 -5.4136 -5.2793 -5.2793 -5.1887 -5.1887 -4.7065 -4.7065 -4.6713 -4.6713 -4.5707 -4.5707 -4.4986 -4.4986 -3.5140 -3.5140 -3.2342 -3.2342 4.1995 4.1995 4.7130 4.7130 4.7313 4.7313 4.7752 4.7752 5.3388 5.3388 5.9175 5.9175 7.9604 7.9604 9.0426 9.0426 9.1168 9.1168 9.2474 9.2474 9.5311 9.5311 k = 0.0938 0.0541-0.0000 ( 4974 PWs) bands (ev): -21.5776 -21.5776 -21.4916 -21.4916 -20.6640 -20.6640 -20.6622 -20.6622 -6.5299 -6.5299 -6.2631 -6.2631 -5.6718 -5.6718 -5.5666 -5.5666 -5.4465 -5.4465 -5.4164 -5.4164 -5.2791 -5.2791 -5.1897 -5.1897 -4.7065 -4.7065 -4.6685 -4.6685 -4.5821 -4.5821 -4.5007 -4.5007 -3.4936 -3.4936 -3.2291 -3.2291 4.2079 4.2079 4.7221 4.7221 4.7230 4.7230 4.7753 4.7753 5.3213 5.3213 5.8990 5.8990 8.0240 8.0240 9.0556 9.0556 9.1606 9.1606 9.2593 9.2593 9.4775 9.4775 k = 0.1094 0.0631-0.0000 ( 4966 PWs) bands (ev): -21.5774 -21.5774 -21.4916 -21.4916 -20.6641 -20.6641 -20.6622 -20.6622 -6.5308 -6.5308 -6.2634 -6.2634 -5.6830 -5.6830 -5.5705 -5.5705 -5.4382 -5.4382 -5.4175 -5.4175 -5.2787 -5.2787 -5.1908 -5.1908 -4.7067 -4.7067 -4.6654 -4.6654 -4.5946 -4.5946 -4.5027 -4.5027 -3.4707 -3.4707 -3.2231 -3.2231 4.2176 4.2176 4.7075 4.7075 4.7326 4.7326 4.7807 4.7807 5.3034 5.3034 5.8785 5.8785 8.0948 8.0948 9.0709 9.0709 9.2109 9.2109 9.2732 9.2732 9.4259 9.4259 k = 0.1250 0.0722-0.0000 ( 4968 PWs) bands (ev): -21.5773 -21.5773 -21.4916 -21.4916 -20.6642 -20.6642 -20.6622 -20.6622 -6.5319 -6.5319 -6.2637 -6.2637 -5.6948 -5.6948 -5.5740 -5.5740 -5.4365 -5.4365 -5.4133 -5.4133 -5.2778 -5.2778 -5.1921 -5.1921 -4.7069 -4.7069 -4.6622 -4.6622 -4.6078 -4.6078 -4.5047 -4.5047 -3.4459 -3.4459 -3.2163 -3.2163 4.2285 4.2285 4.6866 4.6866 4.7446 4.7446 4.7894 4.7894 5.2859 5.2859 5.8563 5.8563 8.1709 8.1709 9.0883 9.0883 9.2666 9.2666 9.2888 9.2888 9.3788 9.3788 k = 0.1406 0.0812-0.0000 ( 4964 PWs) bands (ev): -21.5771 -21.5771 -21.4915 -21.4915 -20.6643 -20.6643 -20.6623 -20.6623 -6.5330 -6.5330 -6.2641 -6.2641 -5.7071 -5.7071 -5.5771 -5.5771 -5.4402 -5.4402 -5.4052 -5.4052 -5.2762 -5.2762 -5.1934 -5.1934 -4.7072 -4.7072 -4.6598 -4.6598 -4.6206 -4.6206 -4.5066 -4.5066 -3.4196 -3.4196 -3.2087 -3.2087 4.2406 4.2406 4.6615 4.6615 4.7579 4.7579 4.8003 4.8003 5.2695 5.2695 5.8328 5.8328 8.2503 8.2503 9.1079 9.1079 9.3020 9.3020 9.3263 9.3263 9.3423 9.3423 k = 0.1562 0.0902-0.0000 ( 4960 PWs) bands (ev): -21.5769 -21.5769 -21.4915 -21.4915 -20.6644 -20.6644 -20.6623 -20.6623 -6.5342 -6.5342 -6.2646 -6.2646 -5.7196 -5.7196 -5.5800 -5.5800 -5.4459 -5.4459 -5.3966 -5.3966 -5.2739 -5.2739 -5.1948 -5.1948 -4.7075 -4.7075 -4.6600 -4.6600 -4.6306 -4.6306 -4.5085 -4.5085 -3.3922 -3.3922 -3.2005 -3.2005 4.2538 4.2538 4.6333 4.6333 4.7725 4.7725 4.8129 4.8129 5.2544 5.2544 5.8084 5.8084 8.3305 8.3305 9.1295 9.1295 9.2910 9.2910 9.3362 9.3362 9.3926 9.3926 k = 0.1719 0.0992-0.0000 ( 4964 PWs) bands (ev): -21.5766 -21.5766 -21.4915 -21.4915 -20.6646 -20.6646 -20.6623 -20.6623 -6.5355 -6.5355 -6.2651 -6.2651 -5.7323 -5.7323 -5.5828 -5.5828 -5.4526 -5.4526 -5.3888 -5.3888 -5.2705 -5.2705 -5.1962 -5.1962 -4.7079 -4.7079 -4.6663 -4.6663 -4.6346 -4.6346 -4.5104 -4.5104 -3.3640 -3.3640 -3.1916 -3.1916 4.2677 4.2677 4.6026 4.6026 4.7881 4.7881 4.8268 4.8268 5.2408 5.2408 5.7833 5.7833 8.4087 8.4087 9.1530 9.1530 9.2669 9.2669 9.3567 9.3567 9.4588 9.4588 k = 0.1875 0.1083-0.0000 ( 4962 PWs) bands (ev): -21.5764 -21.5764 -21.4915 -21.4915 -20.6647 -20.6647 -20.6624 -20.6624 -6.5369 -6.5369 -6.2657 -6.2657 -5.7449 -5.7449 -5.5855 -5.5855 -5.4598 -5.4598 -5.3822 -5.3822 -5.2659 -5.2659 -5.1977 -5.1977 -4.7086 -4.7086 -4.6773 -4.6773 -4.6331 -4.6331 -4.5121 -4.5121 -3.3354 -3.3354 -3.1823 -3.1823 4.2823 4.2823 4.5702 4.5702 4.8047 4.8047 4.8419 4.8419 5.2289 5.2289 5.7580 5.7580 8.4813 8.4813 9.1784 9.1784 9.2511 9.2511 9.3823 9.3823 9.5255 9.5255 k = 0.2031 0.1173-0.0000 ( 4964 PWs) bands (ev): -21.5762 -21.5762 -21.4914 -21.4914 -20.6648 -20.6648 -20.6624 -20.6624 -6.5383 -6.5383 -6.2664 -6.2664 -5.7573 -5.7573 -5.5882 -5.5882 -5.4675 -5.4675 -5.3770 -5.3770 -5.2602 -5.2602 -5.1992 -5.1992 -4.7101 -4.7101 -4.6891 -4.6891 -4.6294 -4.6294 -4.5138 -4.5138 -3.3068 -3.3068 -3.1725 -3.1725 4.2972 4.2972 4.5369 4.5369 4.8218 4.8218 4.8583 4.8583 5.2184 5.2184 5.7327 5.7327 8.5444 8.5444 9.2054 9.2054 9.2475 9.2475 9.4120 9.4120 9.5901 9.5901 k = 0.2188 0.1263-0.0000 ( 4956 PWs) bands (ev): -21.5759 -21.5759 -21.4914 -21.4914 -20.6650 -20.6650 -20.6624 -20.6624 -6.5397 -6.5397 -6.2672 -6.2672 -5.7696 -5.7696 -5.5909 -5.5909 -5.4754 -5.4754 -5.3731 -5.3731 -5.2533 -5.2533 -5.2007 -5.2007 -4.7149 -4.7149 -4.6980 -4.6980 -4.6251 -4.6251 -4.5153 -4.5153 -3.2785 -3.2785 -3.1624 -3.1624 4.3118 4.3118 4.5039 4.5039 4.8393 4.8393 4.8759 4.8759 5.2093 5.2093 5.7075 5.7075 8.5942 8.5942 9.2340 9.2340 9.2579 9.2579 9.4464 9.4464 9.6497 9.6497 k = 0.2344 0.1353-0.0000 ( 4968 PWs) bands (ev): -21.5757 -21.5757 -21.4914 -21.4914 -20.6651 -20.6651 -20.6625 -20.6625 -6.5411 -6.5411 -6.2681 -6.2681 -5.7816 -5.7816 -5.5937 -5.5937 -5.4834 -5.4834 -5.3705 -5.3705 -5.2456 -5.2456 -5.2022 -5.2022 -4.7249 -4.7249 -4.7015 -4.7015 -4.6205 -4.6205 -4.5166 -4.5166 -3.2506 -3.2506 -3.1520 -3.1520 4.3248 4.3248 4.4728 4.4728 4.8566 4.8566 4.8950 4.8950 5.2012 5.2012 5.6827 5.6827 8.6281 8.6281 9.2640 9.2640 9.2821 9.2821 9.4868 9.4868 9.7008 9.7008 k = 0.2500 0.1443-0.0000 ( 4966 PWs) bands (ev): -21.5754 -21.5754 -21.4914 -21.4914 -20.6653 -20.6653 -20.6625 -20.6625 -6.5426 -6.5426 -6.2690 -6.2690 -5.7932 -5.7932 -5.5965 -5.5965 -5.4915 -5.4915 -5.3690 -5.3690 -5.2372 -5.2372 -5.2035 -5.2035 -4.7370 -4.7370 -4.7022 -4.7022 -4.6160 -4.6160 -4.5177 -4.5177 -3.2234 -3.2234 -3.1414 -3.1414 4.3335 4.3335 4.4468 4.4468 4.8734 4.8734 4.9154 4.9154 5.1941 5.1941 5.6584 5.6584 8.6459 8.6459 9.2953 9.2953 9.3172 9.3172 9.5348 9.5348 9.7399 9.7399 k = 0.2656 0.1534-0.0000 ( 4960 PWs) bands (ev): -21.5752 -21.5752 -21.4913 -21.4913 -20.6654 -20.6654 -20.6625 -20.6625 -6.5440 -6.5440 -6.2699 -6.2699 -5.8044 -5.8044 -5.5992 -5.5992 -5.4994 -5.4994 -5.3682 -5.3682 -5.2284 -5.2284 -5.2048 -5.2048 -4.7494 -4.7494 -4.7019 -4.7019 -4.6117 -4.6117 -4.5186 -4.5186 -3.1972 -3.1972 -3.1309 -3.1309 4.3324 4.3324 4.4317 4.4317 4.8896 4.8896 4.9373 4.9373 5.1878 5.1878 5.6348 5.6348 8.6492 8.6492 9.3276 9.3276 9.3591 9.3591 9.5912 9.5912 9.7644 9.7644 k = 0.2812 0.1624-0.0000 ( 4972 PWs) bands (ev): -21.5749 -21.5749 -21.4913 -21.4913 -20.6656 -20.6656 -20.6626 -20.6626 -6.5454 -6.5454 -6.2710 -6.2710 -5.8153 -5.8153 -5.6020 -5.6020 -5.5073 -5.5073 -5.3681 -5.3681 -5.2198 -5.2198 -5.2056 -5.2056 -4.7614 -4.7614 -4.7012 -4.7012 -4.6078 -4.6078 -4.5191 -4.5191 -3.1721 -3.1721 -3.1203 -3.1203 4.3178 4.3178 4.4313 4.4313 4.9049 4.9049 4.9604 4.9604 5.1821 5.1821 5.6118 5.6118 8.6408 8.6408 9.3606 9.3606 9.4042 9.4042 9.6542 9.6542 9.7749 9.7749 k = 0.2969 0.1714-0.0000 ( 4956 PWs) bands (ev): -21.5746 -21.5746 -21.4913 -21.4913 -20.6657 -20.6657 -20.6626 -20.6626 -6.5468 -6.5468 -6.2720 -6.2720 -5.8255 -5.8255 -5.6047 -5.6047 -5.5149 -5.5149 -5.3685 -5.3685 -5.2132 -5.2132 -5.2043 -5.2043 -4.7729 -4.7729 -4.7001 -4.7001 -4.6044 -4.6044 -4.5192 -4.5192 -3.1484 -3.1484 -3.1097 -3.1097 4.2943 4.2943 4.4414 4.4414 4.9192 4.9192 4.9845 4.9845 5.1771 5.1771 5.5896 5.5896 8.6231 8.6231 9.3941 9.3941 9.4505 9.4505 9.7115 9.7115 9.7828 9.7828 k = 0.3125 0.1804-0.0000 ( 4968 PWs) bands (ev): -21.5744 -21.5744 -21.4912 -21.4912 -20.6658 -20.6658 -20.6627 -20.6627 -6.5481 -6.5481 -6.2732 -6.2732 -5.8353 -5.8353 -5.6074 -5.6074 -5.5222 -5.5222 -5.3691 -5.3691 -5.2116 -5.2116 -5.1980 -5.1980 -4.7837 -4.7837 -4.6988 -4.6988 -4.6016 -4.6016 -4.5189 -4.5189 -3.1266 -3.1266 -3.0990 -3.0990 4.2675 4.2675 4.4564 4.4564 4.9322 4.9322 5.0095 5.0095 5.1728 5.1728 5.5681 5.5681 8.5984 8.5984 9.4277 9.4277 9.4979 9.4979 9.7207 9.7207 9.8298 9.8298 k = 0.3281 0.1894-0.0000 ( 4976 PWs) bands (ev): -21.5742 -21.5742 -21.4912 -21.4912 -20.6660 -20.6660 -20.6627 -20.6627 -6.5494 -6.5494 -6.2743 -6.2743 -5.8445 -5.8445 -5.6099 -5.6099 -5.5292 -5.5292 -5.3700 -5.3700 -5.2122 -5.2122 -5.1897 -5.1897 -4.7939 -4.7939 -4.6974 -4.6974 -4.5993 -4.5993 -4.5183 -4.5183 -3.1073 -3.1073 -3.0876 -3.0876 4.2404 4.2404 4.4734 4.4734 4.9438 4.9438 5.0351 5.0351 5.1692 5.1692 5.5472 5.5472 8.5684 8.5684 9.4611 9.4611 9.5464 9.5464 9.6962 9.6962 9.8940 9.8940 k = 0.3438 0.1985-0.0000 ( 4968 PWs) bands (ev): -21.5740 -21.5740 -21.4912 -21.4912 -20.6661 -20.6661 -20.6628 -20.6628 -6.5505 -6.5505 -6.2754 -6.2754 -5.8530 -5.8530 -5.6123 -5.6123 -5.5357 -5.5357 -5.3709 -5.3709 -5.2131 -5.2131 -5.1813 -5.1813 -4.8033 -4.8033 -4.6958 -4.6958 -4.5975 -4.5975 -4.5173 -4.5173 -3.0918 -3.0918 -3.0744 -3.0744 4.2141 4.2141 4.4913 4.4913 4.9537 4.9537 5.0611 5.0611 5.1667 5.1667 5.5269 5.5269 8.5346 8.5346 9.4939 9.4939 9.5935 9.5935 9.6655 9.6655 9.9150 9.9150 k = 0.3594 0.2075-0.0000 ( 4964 PWs) bands (ev): -21.5738 -21.5738 -21.4912 -21.4912 -20.6662 -20.6662 -20.6628 -20.6628 -6.5516 -6.5516 -6.2765 -6.2765 -5.8609 -5.8609 -5.6145 -5.6145 -5.5419 -5.5419 -5.3719 -5.3719 -5.2141 -5.2141 -5.1733 -5.1733 -4.8120 -4.8120 -4.6942 -4.6942 -4.5963 -4.5963 -4.5161 -4.5161 -3.0805 -3.0805 -3.0593 -3.0593 4.1894 4.1894 4.5093 4.5093 4.9616 4.9616 5.0873 5.0873 5.1653 5.1653 5.5071 5.5071 8.4985 8.4985 9.5257 9.5257 9.6038 9.6038 9.6710 9.6710 9.9285 9.9285 k = 0.3750 0.2165-0.0000 ( 4960 PWs) bands (ev): -21.5736 -21.5736 -21.4911 -21.4911 -20.6663 -20.6663 -20.6628 -20.6628 -6.5526 -6.5526 -6.2775 -6.2775 -5.8680 -5.8680 -5.6165 -5.6165 -5.5475 -5.5475 -5.3729 -5.3729 -5.2151 -5.2151 -5.1658 -5.1658 -4.8198 -4.8198 -4.6925 -4.6925 -4.5955 -4.5955 -4.5146 -4.5146 -3.0716 -3.0716 -3.0442 -3.0442 4.1666 4.1666 4.5269 4.5269 4.9676 4.9676 5.1135 5.1135 5.1651 5.1651 5.4876 5.4876 8.4616 8.4616 9.5542 9.5542 9.5714 9.5714 9.7238 9.7238 9.9410 9.9410 k = 0.3906 0.2255-0.0000 ( 4954 PWs) bands (ev): -21.5734 -21.5734 -21.4911 -21.4911 -20.6664 -20.6664 -20.6628 -20.6628 -6.5535 -6.5535 -6.2785 -6.2785 -5.8743 -5.8743 -5.6182 -5.6182 -5.5527 -5.5527 -5.3738 -5.3738 -5.2160 -5.2160 -5.1590 -5.1590 -4.8269 -4.8269 -4.6908 -4.6908 -4.5951 -4.5951 -4.5130 -4.5130 -3.0642 -3.0642 -3.0301 -3.0301 4.1461 4.1461 4.5438 4.5438 4.9715 4.9715 5.1393 5.1393 5.1663 5.1663 5.4683 5.4683 8.4253 8.4253 9.5297 9.5297 9.5861 9.5861 9.7854 9.7854 9.9528 9.9528 k = 0.4062 0.2345-0.0000 ( 4956 PWs) bands (ev): -21.5732 -21.5732 -21.4911 -21.4911 -20.6665 -20.6665 -20.6629 -20.6629 -6.5543 -6.5543 -6.2794 -6.2794 -5.8799 -5.8799 -5.6198 -5.6198 -5.5573 -5.5573 -5.3747 -5.3747 -5.2168 -5.2168 -5.1529 -5.1529 -4.8330 -4.8330 -4.6893 -4.6893 -4.5949 -4.5949 -4.5115 -4.5115 -3.0580 -3.0580 -3.0175 -3.0175 4.1279 4.1279 4.5596 4.5596 4.9735 4.9735 5.1619 5.1619 5.1715 5.1715 5.4491 5.4491 8.3908 8.3908 9.4936 9.4936 9.6121 9.6121 9.8508 9.8508 9.9640 9.9640 k = 0.4219 0.2436-0.0000 ( 4956 PWs) bands (ev): -21.5731 -21.5731 -21.4911 -21.4911 -20.6665 -20.6665 -20.6629 -20.6629 -6.5550 -6.5550 -6.2802 -6.2802 -5.8847 -5.8847 -5.6210 -5.6210 -5.5612 -5.5612 -5.3754 -5.3754 -5.2175 -5.2175 -5.1476 -5.1476 -4.8383 -4.8383 -4.6879 -4.6879 -4.5950 -4.5950 -4.5100 -4.5100 -3.0527 -3.0527 -3.0067 -3.0067 4.1123 4.1123 4.5739 4.5739 4.9740 4.9740 5.1688 5.1688 5.1925 5.1925 5.4300 5.4300 8.3594 8.3594 9.4610 9.4610 9.6354 9.6354 9.9177 9.9177 9.9751 9.9751 k = 0.4375 0.2526-0.0000 ( 4956 PWs) bands (ev): -21.5730 -21.5730 -21.4911 -21.4911 -20.6666 -20.6666 -20.6629 -20.6629 -6.5556 -6.5556 -6.2809 -6.2809 -5.8886 -5.8886 -5.6220 -5.6220 -5.5646 -5.5646 -5.3761 -5.3761 -5.2181 -5.2181 -5.1431 -5.1431 -4.8427 -4.8427 -4.6866 -4.6866 -4.5951 -4.5951 -4.5087 -4.5087 -3.0483 -3.0483 -2.9978 -2.9978 4.0994 4.0994 4.5863 4.5863 4.9734 4.9734 5.1721 5.1721 5.2167 5.2167 5.4108 5.4108 8.3322 8.3322 9.4332 9.4332 9.6554 9.6554 9.9710 9.9710 9.9997 9.9997 k = 0.4531 0.2616-0.0000 ( 4952 PWs) bands (ev): -21.5729 -21.5729 -21.4911 -21.4911 -20.6667 -20.6667 -20.6629 -20.6629 -6.5560 -6.5560 -6.2814 -6.2814 -5.8917 -5.8917 -5.6228 -5.6228 -5.5672 -5.5672 -5.3766 -5.3766 -5.2186 -5.2186 -5.1396 -5.1396 -4.8461 -4.8461 -4.6856 -4.6856 -4.5953 -4.5953 -4.5076 -4.5076 -3.0450 -3.0450 -2.9907 -2.9907 4.0893 4.0893 4.5965 4.5965 4.9722 4.9722 5.1749 5.1749 5.2401 5.2401 5.3918 5.3918 8.3101 8.3101 9.4109 9.4109 9.6715 9.6715 9.9842 9.9842 10.0622 10.0622 k = 0.4688 0.2706-0.0000 ( 4952 PWs) bands (ev): -21.5728 -21.5728 -21.4911 -21.4911 -20.6667 -20.6667 -20.6629 -20.6629 -6.5563 -6.5563 -6.2818 -6.2818 -5.8939 -5.8939 -5.6233 -5.6233 -5.5691 -5.5691 -5.3770 -5.3770 -5.2189 -5.2189 -5.1371 -5.1371 -4.8486 -4.8486 -4.6848 -4.6848 -4.5955 -4.5955 -4.5068 -4.5068 -3.0426 -3.0426 -2.9857 -2.9857 4.0820 4.0820 4.6040 4.6040 4.9710 4.9710 5.1772 5.1772 5.2616 5.2616 5.3735 5.3735 8.2937 8.2937 9.3947 9.3947 9.6834 9.6834 9.9900 9.9900 10.1261 10.1261 k = 0.4844 0.2797-0.0000 ( 4958 PWs) bands (ev): -21.5728 -21.5728 -21.4911 -21.4911 -20.6667 -20.6667 -20.6630 -20.6630 -6.5566 -6.5566 -6.2820 -6.2820 -5.8953 -5.8953 -5.6236 -5.6236 -5.5703 -5.5703 -5.3772 -5.3772 -5.2191 -5.2191 -5.1355 -5.1355 -4.8501 -4.8501 -4.6844 -4.6844 -4.5957 -4.5957 -4.5063 -4.5063 -3.0411 -3.0411 -2.9826 -2.9826 4.0776 4.0776 4.6087 4.6087 4.9701 4.9701 5.1787 5.1787 5.2791 5.2791 5.3581 5.3581 8.2837 8.2837 9.3848 9.3848 9.6906 9.6906 9.9933 9.9933 10.1793 10.1793 k = 0.5000 0.2887-0.0000 ( 4956 PWs) bands (ev): -21.5728 -21.5728 -21.4910 -21.4910 -20.6667 -20.6667 -20.6630 -20.6630 -6.5566 -6.5566 -6.2821 -6.2821 -5.8957 -5.8957 -5.6237 -5.6237 -5.5707 -5.5707 -5.3773 -5.3773 -5.2192 -5.2192 -5.1350 -5.1350 -4.8506 -4.8506 -4.6842 -4.6842 -4.5957 -4.5957 -4.5061 -4.5061 -3.0406 -3.0406 -2.9816 -2.9816 4.0761 4.0761 4.6103 4.6103 4.9697 4.9697 5.1792 5.1792 5.2867 5.2867 5.3512 5.3512 8.2803 8.2803 9.3815 9.3815 9.6931 9.6931 9.9944 9.9944 10.2034 10.2034 k = 0.5000 0.2887-0.0000 ( 4956 PWs) bands (ev): -21.5728 -21.5728 -21.4910 -21.4910 -20.6667 -20.6667 -20.6630 -20.6630 -6.5566 -6.5566 -6.2821 -6.2821 -5.8957 -5.8957 -5.6237 -5.6237 -5.5707 -5.5707 -5.3773 -5.3773 -5.2192 -5.2192 -5.1350 -5.1350 -4.8506 -4.8506 -4.6842 -4.6842 -4.5957 -4.5957 -4.5061 -4.5061 -3.0406 -3.0406 -2.9816 -2.9816 4.0761 4.0761 4.6103 4.6103 4.9697 4.9697 5.1792 5.1792 5.2867 5.2867 5.3512 5.3512 8.2803 8.2803 9.3815 9.3815 9.6931 9.6931 9.9944 9.9944 10.2034 10.2034 k = 0.4912 0.3039-0.0000 ( 4944 PWs) bands (ev): -21.5728 -21.5728 -21.4910 -21.4910 -20.6667 -20.6667 -20.6629 -20.6629 -6.5565 -6.5565 -6.2822 -6.2822 -5.8957 -5.8957 -5.6283 -5.6283 -5.5660 -5.5660 -5.3774 -5.3774 -5.2195 -5.2195 -5.1352 -5.1352 -4.8501 -4.8501 -4.6842 -4.6842 -4.5955 -4.5955 -4.5065 -4.5065 -3.0406 -3.0406 -2.9814 -2.9814 4.0775 4.0775 4.6088 4.6088 4.9694 4.9694 5.1781 5.1781 5.2856 5.2856 5.3544 5.3544 8.2823 8.2823 9.3524 9.3524 9.7250 9.7250 9.9954 9.9954 10.1997 10.1997 k = 0.4825 0.3191-0.0000 ( 4948 PWs) bands (ev): -21.5728 -21.5728 -21.4911 -21.4911 -20.6667 -20.6667 -20.6630 -20.6630 -6.5564 -6.5564 -6.2826 -6.2826 -5.8957 -5.8957 -5.6390 -5.6390 -5.5548 -5.5548 -5.3779 -5.3779 -5.2202 -5.2202 -5.1358 -5.1358 -4.8487 -4.8487 -4.6842 -4.6842 -4.5948 -4.5948 -4.5076 -4.5076 -3.0404 -3.0404 -2.9806 -2.9806 4.0814 4.0814 4.6046 4.6046 4.9681 4.9681 5.1749 5.1749 5.2824 5.2824 5.3636 5.3636 8.2880 8.2880 9.2863 9.2863 9.7993 9.7993 9.9985 9.9985 10.1888 10.1888 k = 0.4737 0.3343-0.0000 ( 4944 PWs) bands (ev): -21.5727 -21.5727 -21.4911 -21.4911 -20.6666 -20.6666 -20.6630 -20.6630 -6.5561 -6.5561 -6.2832 -6.2832 -5.8956 -5.8956 -5.6521 -5.6521 -5.5410 -5.5410 -5.3786 -5.3786 -5.2215 -5.2215 -5.1367 -5.1367 -4.8463 -4.8463 -4.6842 -4.6842 -4.5937 -4.5937 -4.5095 -4.5095 -3.0402 -3.0402 -2.9794 -2.9794 4.0880 4.0880 4.5979 4.5979 4.9659 4.9659 5.1705 5.1705 5.2774 5.2774 5.3779 5.3779 8.2974 8.2974 9.2074 9.2074 9.8910 9.8910 10.0038 10.0038 10.1711 10.1711 k = 0.4649 0.3494-0.0000 ( 4940 PWs) bands (ev): -21.5727 -21.5727 -21.4911 -21.4911 -20.6666 -20.6666 -20.6631 -20.6631 -6.5557 -6.5557 -6.2841 -6.2841 -5.8955 -5.8955 -5.6659 -5.6659 -5.5262 -5.5262 -5.3795 -5.3795 -5.2232 -5.2232 -5.1380 -5.1380 -4.8432 -4.8432 -4.6841 -4.6841 -4.5922 -4.5922 -4.5120 -4.5120 -3.0399 -3.0399 -2.9778 -2.9778 4.0970 4.0970 4.5891 4.5891 4.9624 4.9624 5.1654 5.1654 5.2710 5.2710 5.3960 5.3960 8.3100 8.3100 9.1257 9.1257 9.9823 9.9823 10.0173 10.0173 10.1485 10.1485 k = 0.4561 0.3646-0.0000 ( 4940 PWs) bands (ev): -21.5727 -21.5727 -21.4910 -21.4910 -20.6666 -20.6666 -20.6631 -20.6631 -6.5552 -6.5552 -6.2851 -6.2851 -5.8954 -5.8954 -5.6796 -5.6796 -5.5112 -5.5112 -5.3806 -5.3806 -5.2253 -5.2253 -5.1395 -5.1395 -4.8394 -4.8394 -4.6839 -4.6839 -4.5905 -4.5905 -4.5152 -4.5152 -3.0394 -3.0394 -2.9757 -2.9757 4.1084 4.1084 4.5785 4.5785 4.9572 4.9572 5.1602 5.1602 5.2637 5.2637 5.4170 5.4170 8.3255 8.3255 9.0449 9.0449 10.0081 10.0081 10.0824 10.0824 10.1386 10.1386 k = 0.4474 0.3798-0.0000 ( 4942 PWs) bands (ev): -21.5726 -21.5726 -21.4910 -21.4910 -20.6665 -20.6665 -20.6632 -20.6632 -6.5547 -6.5547 -6.2864 -6.2864 -5.8953 -5.8953 -5.6931 -5.6931 -5.4964 -5.4964 -5.3819 -5.3819 -5.2277 -5.2277 -5.1414 -5.1414 -4.8350 -4.8350 -4.6836 -4.6836 -4.5884 -4.5884 -4.5190 -4.5190 -3.0388 -3.0388 -2.9733 -2.9733 4.1220 4.1220 4.5668 4.5668 4.9501 4.9501 5.1552 5.1552 5.2563 5.2563 5.4400 5.4400 8.3434 8.3434 8.9668 8.9668 10.0108 10.0108 10.0762 10.0762 10.2207 10.2207 k = 0.4386 0.3950-0.0000 ( 4944 PWs) bands (ev): -21.5726 -21.5726 -21.4910 -21.4910 -20.6664 -20.6664 -20.6634 -20.6634 -6.5541 -6.5541 -6.2878 -6.2878 -5.8953 -5.8953 -5.7060 -5.7060 -5.4820 -5.4820 -5.3832 -5.3832 -5.2303 -5.2303 -5.1435 -5.1435 -4.8303 -4.8303 -4.6832 -4.6832 -4.5862 -4.5862 -4.5232 -4.5232 -3.0381 -3.0381 -2.9707 -2.9707 4.1375 4.1375 4.5544 4.5544 4.9408 4.9408 5.1503 5.1503 5.2494 5.2494 5.4641 5.4641 8.3628 8.3628 8.8923 8.8923 10.0005 10.0005 10.0562 10.0562 10.3188 10.3188 k = 0.4298 0.4102-0.0000 ( 4958 PWs) bands (ev): -21.5725 -21.5725 -21.4911 -21.4911 -20.6664 -20.6664 -20.6635 -20.6635 -6.5535 -6.5535 -6.2893 -6.2893 -5.8953 -5.8953 -5.7182 -5.7182 -5.4682 -5.4682 -5.3845 -5.3845 -5.2331 -5.2331 -5.1457 -5.1457 -4.8254 -4.8254 -4.6825 -4.6825 -4.5839 -4.5839 -4.5278 -4.5278 -3.0373 -3.0373 -2.9678 -2.9678 4.1546 4.1546 4.5418 4.5418 4.9290 4.9290 5.1457 5.1457 5.2436 5.2436 5.4886 5.4886 8.3832 8.3832 8.8220 8.8220 9.9731 9.9731 10.0485 10.0485 10.3474 10.3474 k = 0.4211 0.4254-0.0000 ( 4952 PWs) bands (ev): -21.5725 -21.5725 -21.4911 -21.4911 -20.6663 -20.6663 -20.6636 -20.6636 -6.5528 -6.5528 -6.2908 -6.2908 -5.8954 -5.8954 -5.7295 -5.7295 -5.4553 -5.4553 -5.3857 -5.3857 -5.2358 -5.2358 -5.1480 -5.1480 -4.8204 -4.8204 -4.6816 -4.6816 -4.5816 -4.5816 -4.5327 -4.5327 -3.0363 -3.0363 -2.9648 -2.9648 4.1731 4.1731 4.5296 4.5296 4.9148 4.9148 5.1411 5.1411 5.2392 5.2392 5.5131 5.5131 8.4038 8.4038 8.7565 8.7565 9.9389 9.9389 10.0455 10.0455 10.3643 10.3643 k = 0.4123 0.4406-0.0000 ( 4944 PWs) bands (ev): -21.5724 -21.5724 -21.4910 -21.4910 -20.6662 -20.6662 -20.6637 -20.6637 -6.5521 -6.5521 -6.2924 -6.2924 -5.8955 -5.8955 -5.7400 -5.7400 -5.4436 -5.4436 -5.3865 -5.3865 -5.2386 -5.2386 -5.1504 -5.1504 -4.8156 -4.8156 -4.6804 -4.6804 -4.5793 -4.5793 -4.5377 -4.5377 -3.0353 -3.0353 -2.9617 -2.9617 4.1925 4.1925 4.5181 4.5181 4.8984 4.8984 5.1368 5.1368 5.2363 5.2363 5.5368 5.5368 8.4237 8.4237 8.6961 8.6961 9.9053 9.9053 10.0411 10.0411 10.3852 10.3852 k = 0.4035 0.4558-0.0000 ( 4944 PWs) bands (ev): -21.5724 -21.5724 -21.4910 -21.4910 -20.6661 -20.6661 -20.6638 -20.6638 -6.5514 -6.5514 -6.2939 -6.2939 -5.8958 -5.8958 -5.7494 -5.7494 -5.4334 -5.4334 -5.3867 -5.3867 -5.2413 -5.2413 -5.1527 -5.1527 -4.8110 -4.8110 -4.6791 -4.6791 -4.5771 -4.5771 -4.5427 -4.5427 -3.0342 -3.0342 -2.9587 -2.9587 4.2122 4.2122 4.5078 4.5078 4.8801 4.8801 5.1328 5.1328 5.2350 5.2350 5.5594 5.5594 8.4423 8.4423 8.6413 8.6413 9.8752 9.8752 10.0338 10.0338 10.4108 10.4108 k = 0.3947 0.4710-0.0000 ( 4942 PWs) bands (ev): -21.5723 -21.5723 -21.4910 -21.4910 -20.6660 -20.6660 -20.6640 -20.6640 -6.5508 -6.5508 -6.2954 -6.2954 -5.8962 -5.8962 -5.7578 -5.7578 -5.4251 -5.4251 -5.3862 -5.3862 -5.2438 -5.2438 -5.1548 -5.1548 -4.8068 -4.8068 -4.6776 -4.6776 -4.5751 -4.5751 -4.5476 -4.5476 -3.0330 -3.0330 -2.9557 -2.9557 4.2316 4.2316 4.4990 4.4990 4.8606 4.8606 5.1292 5.1292 5.2348 5.2348 5.5804 5.5804 8.4587 8.4587 8.5922 8.5922 9.8506 9.8506 10.0230 10.0230 10.4412 10.4412 k = 0.3860 0.4862-0.0000 ( 4938 PWs) bands (ev): -21.5723 -21.5723 -21.4910 -21.4910 -20.6658 -20.6658 -20.6642 -20.6642 -6.5503 -6.5503 -6.2968 -6.2968 -5.8966 -5.8966 -5.7650 -5.7650 -5.4190 -5.4190 -5.3845 -5.3845 -5.2461 -5.2461 -5.1568 -5.1568 -4.8031 -4.8031 -4.6760 -4.6760 -4.5732 -4.5732 -4.5522 -4.5522 -3.0318 -3.0318 -2.9528 -2.9528 4.2500 4.2500 4.4922 4.4922 4.8406 4.8406 5.1261 5.1261 5.2355 5.2355 5.5993 5.5993 8.4725 8.4725 8.5493 8.5493 9.8324 9.8324 10.0091 10.0091 10.4759 10.4759 k = 0.3772 0.5014-0.0000 ( 4946 PWs) bands (ev): -21.5722 -21.5722 -21.4910 -21.4910 -20.6657 -20.6657 -20.6643 -20.6643 -6.5498 -6.5498 -6.2980 -6.2980 -5.8972 -5.8972 -5.7710 -5.7710 -5.4151 -5.4151 -5.3818 -5.3818 -5.2481 -5.2481 -5.1586 -5.1586 -4.8000 -4.8000 -4.6743 -4.6743 -4.5716 -4.5716 -4.5563 -4.5563 -3.0307 -3.0307 -2.9502 -2.9502 4.2666 4.2666 4.4874 4.4874 4.8211 4.8211 5.1237 5.1237 5.2366 5.2366 5.6158 5.6158 8.4828 8.4828 8.5132 8.5132 9.8213 9.8213 9.9926 9.9926 10.5144 10.5144 k = 0.3684 0.5166-0.0000 ( 4950 PWs) bands (ev): -21.5722 -21.5722 -21.4910 -21.4910 -20.6656 -20.6656 -20.6645 -20.6645 -6.5493 -6.5493 -6.2991 -6.2991 -5.8978 -5.8978 -5.7759 -5.7759 -5.4129 -5.4129 -5.3785 -5.3785 -5.2498 -5.2498 -5.1600 -5.1600 -4.7975 -4.7975 -4.6728 -4.6728 -4.5704 -4.5704 -4.5597 -4.5597 -3.0296 -3.0296 -2.9479 -2.9479 4.2807 4.2807 4.4848 4.4848 4.8031 4.8031 5.1218 5.1218 5.2379 5.2379 5.6297 5.6297 8.4791 8.4791 8.4945 8.4945 9.8175 9.8175 9.9741 9.9741 10.5559 10.5559 k = 0.3596 0.5318-0.0000 ( 4940 PWs) bands (ev): -21.5721 -21.5721 -21.4910 -21.4910 -20.6655 -20.6655 -20.6646 -20.6646 -6.5490 -6.5490 -6.3000 -6.3000 -5.8984 -5.8984 -5.7796 -5.7796 -5.4119 -5.4119 -5.3755 -5.3755 -5.2512 -5.2512 -5.1611 -5.1611 -4.7956 -4.7956 -4.6715 -4.6715 -4.5695 -4.5695 -4.5624 -4.5624 -3.0287 -3.0287 -2.9460 -2.9460 4.2917 4.2917 4.4840 4.4840 4.7876 4.7876 5.1205 5.1205 5.2392 5.2392 5.6407 5.6407 8.4572 8.4572 8.4980 8.4980 9.8208 9.8208 9.9543 9.9543 10.5994 10.5995 k = 0.3509 0.5470-0.0000 ( 4924 PWs) bands (ev): -21.5721 -21.5721 -21.4910 -21.4910 -20.6653 -20.6653 -20.6647 -20.6647 -6.5488 -6.5488 -6.3006 -6.3006 -5.8989 -5.8989 -5.7822 -5.7822 -5.4114 -5.4114 -5.3730 -5.3730 -5.2521 -5.2521 -5.1618 -5.1618 -4.7942 -4.7942 -4.6705 -4.6705 -4.5691 -4.5691 -4.5640 -4.5640 -3.0280 -3.0280 -2.9445 -2.9445 4.2994 4.2994 4.4845 4.4845 4.7757 4.7757 5.1198 5.1198 5.2402 5.2402 5.6486 5.6486 8.4404 8.4404 8.5005 8.5005 9.8300 9.8300 9.9342 9.9342 10.6438 10.6438 k = 0.3421 0.5622-0.0000 ( 4920 PWs) bands (ev): -21.5721 -21.5721 -21.4910 -21.4910 -20.6652 -20.6652 -20.6649 -20.6649 -6.5486 -6.5486 -6.3010 -6.3010 -5.8993 -5.8993 -5.7837 -5.7837 -5.4113 -5.4113 -5.3715 -5.3715 -5.2527 -5.2527 -5.1621 -5.1621 -4.7935 -4.7935 -4.6699 -4.6699 -4.5692 -4.5692 -4.5646 -4.5646 -3.0275 -3.0275 -2.9436 -2.9436 4.3038 4.3038 4.4852 4.4852 4.7683 4.7683 5.1194 5.1194 5.2408 5.2408 5.6534 5.6534 8.4304 8.4304 8.5016 8.5016 9.8427 9.8427 9.9156 9.9156 10.6869 10.6869 k = 0.3333 0.5774-0.0000 ( 4920 PWs) bands (ev): -21.5721 -21.5721 -21.4910 -21.4910 -20.6651 -20.6651 -20.6650 -20.6650 -6.5486 -6.5486 -6.3011 -6.3011 -5.8994 -5.8994 -5.7842 -5.7842 -5.4113 -5.4113 -5.3710 -5.3710 -5.2529 -5.2529 -5.1622 -5.1622 -4.7932 -4.7932 -4.6697 -4.6697 -4.5693 -4.5693 -4.5648 -4.5648 -3.0273 -3.0273 -2.9433 -2.9433 4.3052 4.3052 4.4856 4.4856 4.7658 4.7658 5.1193 5.1193 5.2410 5.2410 5.6550 5.6550 8.4270 8.4270 8.5017 8.5017 9.8506 9.8506 9.9061 9.9061 10.7238 10.7238 k = 0.3333 0.5774-0.0000 ( 4920 PWs) bands (ev): -21.5721 -21.5721 -21.4910 -21.4910 -20.6651 -20.6651 -20.6650 -20.6650 -6.5486 -6.5486 -6.3011 -6.3011 -5.8994 -5.8994 -5.7842 -5.7842 -5.4113 -5.4113 -5.3710 -5.3710 -5.2529 -5.2529 -5.1622 -5.1622 -4.7932 -4.7932 -4.6697 -4.6697 -4.5693 -4.5693 -4.5648 -4.5648 -3.0273 -3.0273 -2.9433 -2.9433 4.3052 4.3052 4.4856 4.4856 4.7658 4.7658 5.1193 5.1193 5.2410 5.2410 5.6550 5.6550 8.4270 8.4270 8.5017 8.5017 9.8506 9.8506 9.9061 9.9061 10.7238 10.7241 k = 0.3243 0.5617-0.0000 ( 4920 PWs) bands (ev): -21.5721 -21.5721 -21.4910 -21.4910 -20.6652 -20.6652 -20.6649 -20.6649 -6.5486 -6.5486 -6.3010 -6.3010 -5.8992 -5.8992 -5.7837 -5.7837 -5.4113 -5.4113 -5.3715 -5.3715 -5.2527 -5.2527 -5.1622 -5.1622 -4.7935 -4.7935 -4.6699 -4.6699 -4.5691 -4.5691 -4.5647 -4.5647 -3.0275 -3.0275 -2.9436 -2.9436 4.3039 4.3039 4.4852 4.4852 4.7683 4.7683 5.1193 5.1193 5.2408 5.2408 5.6534 5.6534 8.4305 8.4305 8.5019 8.5019 9.8402 9.8402 9.9178 9.9178 10.6871 10.6871 k = 0.3153 0.5461-0.0000 ( 4926 PWs) bands (ev): -21.5721 -21.5721 -21.4910 -21.4910 -20.6653 -20.6653 -20.6648 -20.6648 -6.5487 -6.5487 -6.3006 -6.3006 -5.8986 -5.8986 -5.7823 -5.7823 -5.4113 -5.4113 -5.3729 -5.3729 -5.2521 -5.2521 -5.1620 -5.1620 -4.7941 -4.7941 -4.6705 -4.6705 -4.5686 -4.5686 -4.5647 -4.5647 -3.0282 -3.0282 -2.9448 -2.9448 4.3003 4.3003 4.4841 4.4841 4.7751 4.7751 5.1193 5.1193 5.2403 5.2403 5.6486 5.6486 8.4409 8.4409 8.5028 8.5028 9.8171 9.8171 9.9435 9.9435 10.6441 10.6441 k = 0.3063 0.5305-0.0000 ( 4936 PWs) bands (ev): -21.5722 -21.5722 -21.4910 -21.4910 -20.6655 -20.6655 -20.6646 -20.6646 -6.5489 -6.5489 -6.2999 -6.2999 -5.8976 -5.8976 -5.7799 -5.7799 -5.4114 -5.4114 -5.3751 -5.3751 -5.2511 -5.2511 -5.1619 -5.1619 -4.7950 -4.7950 -4.6713 -4.6713 -4.5679 -4.5679 -4.5646 -4.5646 -3.0294 -3.0294 -2.9469 -2.9469 4.2948 4.2948 4.4828 4.4828 4.7851 4.7851 5.1189 5.1189 5.2397 5.2397 5.6410 5.6410 8.4580 8.4580 8.5055 8.5055 9.7888 9.7888 9.9739 9.9739 10.5972 10.5972 k = 0.2973 0.5149-0.0000 ( 4930 PWs) bands (ev): -21.5722 -21.5722 -21.4910 -21.4910 -20.6656 -20.6656 -20.6645 -20.6645 -6.5491 -6.5491 -6.2990 -6.2990 -5.8961 -5.8961 -5.7766 -5.7766 -5.4116 -5.4116 -5.3777 -5.3777 -5.2497 -5.2497 -5.1619 -5.1619 -4.7960 -4.7960 -4.6724 -4.6724 -4.5671 -4.5671 -4.5643 -4.5643 -3.0312 -3.0312 -2.9499 -2.9499 4.2881 4.2881 4.4818 4.4818 4.7972 4.7972 5.1179 5.1179 5.2390 5.2390 5.6310 5.6310 8.4813 8.4813 8.5108 8.5108 9.7569 9.7569 10.0054 10.0054 10.5480 10.5480 k = 0.2883 0.4993-0.0000 ( 4938 PWs) bands (ev): -21.5723 -21.5723 -21.4910 -21.4910 -20.6657 -20.6657 -20.6643 -20.6643 -6.5494 -6.5494 -6.2978 -6.2978 -5.8940 -5.8940 -5.7726 -5.7726 -5.4120 -5.4120 -5.3805 -5.3805 -5.2480 -5.2480 -5.1623 -5.1623 -4.7971 -4.7971 -4.6736 -4.6736 -4.5666 -4.5666 -4.5639 -4.5639 -3.0337 -3.0337 -2.9539 -2.9539 4.2808 4.2808 4.4812 4.4812 4.8103 4.8103 5.1160 5.1160 5.2386 5.2386 5.6189 5.6189 8.5085 8.5085 8.5212 8.5212 9.7217 9.7217 10.0357 10.0357 10.4976 10.4976 k = 0.2793 0.4837-0.0000 ( 4942 PWs) bands (ev): -21.5724 -21.5724 -21.4910 -21.4910 -20.6658 -20.6658 -20.6642 -20.6642 -6.5496 -6.5496 -6.2964 -6.2964 -5.8913 -5.8913 -5.7677 -5.7677 -5.4130 -5.4130 -5.3831 -5.3831 -5.2459 -5.2459 -5.1631 -5.1631 -4.7981 -4.7981 -4.6749 -4.6749 -4.5664 -4.5664 -4.5631 -4.5631 -3.0368 -3.0368 -2.9591 -2.9591 4.2734 4.2734 4.4810 4.4810 4.8237 4.8237 5.1129 5.1129 5.2384 5.2384 5.6054 5.6054 8.5269 8.5269 8.5494 8.5494 9.6834 9.6834 10.0626 10.0626 10.4475 10.4475 k = 0.2703 0.4681-0.0000 ( 4948 PWs) bands (ev): -21.5725 -21.5725 -21.4910 -21.4910 -20.6658 -20.6658 -20.6640 -20.6640 -6.5498 -6.5498 -6.2948 -6.2948 -5.8881 -5.8881 -5.7620 -5.7620 -5.4146 -5.4146 -5.3852 -5.3852 -5.2436 -5.2436 -5.1643 -5.1643 -4.7989 -4.7989 -4.6764 -4.6764 -4.5665 -4.5665 -4.5622 -4.5622 -3.0408 -3.0408 -2.9654 -2.9654 4.2667 4.2667 4.4811 4.4811 4.8368 4.8368 5.1083 5.1083 5.2385 5.2385 5.5912 5.5912 8.5424 8.5424 8.5891 8.5891 9.6420 9.6420 10.0838 10.0838 10.3990 10.3990 k = 0.2613 0.4525-0.0000 ( 4946 PWs) bands (ev): -21.5726 -21.5726 -21.4911 -21.4911 -20.6659 -20.6659 -20.6639 -20.6639 -6.5500 -6.5500 -6.2930 -6.2930 -5.8843 -5.8843 -5.7556 -5.7556 -5.4171 -5.4171 -5.3865 -5.3865 -5.2410 -5.2410 -5.1661 -5.1661 -4.7994 -4.7994 -4.6779 -4.6779 -4.5667 -4.5667 -4.5612 -4.5612 -3.0455 -3.0455 -2.9730 -2.9730 4.2612 4.2612 4.4810 4.4810 4.8493 4.8493 5.1021 5.1021 5.2385 5.2385 5.5771 5.5771 8.5609 8.5609 8.6340 8.6340 9.5982 9.5982 10.0964 10.0964 10.3541 10.3541 k = 0.2523 0.4369-0.0000 ( 4948 PWs) bands (ev): -21.5727 -21.5727 -21.4911 -21.4911 -20.6659 -20.6659 -20.6638 -20.6638 -6.5500 -6.5500 -6.2912 -6.2912 -5.8799 -5.8799 -5.7484 -5.7484 -5.4203 -5.4203 -5.3870 -5.3870 -5.2383 -5.2383 -5.1685 -5.1685 -4.7994 -4.7994 -4.6795 -4.6795 -4.5672 -4.5672 -4.5602 -4.5602 -3.0510 -3.0510 -2.9818 -2.9818 4.2573 4.2573 4.4803 4.4803 4.8611 4.8611 5.0942 5.0942 5.2380 5.2380 5.5641 5.5641 8.5825 8.5825 8.6827 8.6827 9.5526 9.5526 10.0971 10.0971 10.3147 10.3147 k = 0.2432 0.4213-0.0000 ( 4940 PWs) bands (ev): -21.5729 -21.5729 -21.4911 -21.4911 -20.6659 -20.6659 -20.6636 -20.6636 -6.5500 -6.5500 -6.2892 -6.2892 -5.8750 -5.8750 -5.7404 -5.7404 -5.4241 -5.4241 -5.3868 -5.3868 -5.2354 -5.2354 -5.1716 -5.1716 -4.7988 -4.7988 -4.6812 -4.6812 -4.5681 -4.5681 -4.5589 -4.5589 -3.0575 -3.0575 -2.9918 -2.9918 4.2556 4.2556 4.4788 4.4788 4.8720 4.8720 5.0846 5.0846 5.2366 5.2366 5.5531 5.5531 8.6072 8.6072 8.7343 8.7343 9.5060 9.5060 10.0836 10.0836 10.2824 10.2824 k = 0.2342 0.4057-0.0000 ( 4952 PWs) bands (ev): -21.5730 -21.5730 -21.4911 -21.4911 -20.6659 -20.6659 -20.6635 -20.6635 -6.5499 -6.5499 -6.2872 -6.2872 -5.8696 -5.8696 -5.7318 -5.7318 -5.4283 -5.4283 -5.3861 -5.3861 -5.2325 -5.2325 -5.1754 -5.1754 -4.7975 -4.7975 -4.6829 -4.6829 -4.5694 -4.5694 -4.5575 -4.5575 -3.0649 -3.0649 -3.0032 -3.0032 4.2563 4.2563 4.4761 4.4761 4.8822 4.8822 5.0733 5.0733 5.2337 5.2337 5.5450 5.5450 8.6341 8.6341 8.7880 8.7880 9.4593 9.4593 10.0560 10.0560 10.2559 10.2559 k = 0.2252 0.3901-0.0000 ( 4954 PWs) bands (ev): -21.5732 -21.5732 -21.4911 -21.4911 -20.6659 -20.6659 -20.6634 -20.6634 -6.5497 -6.5497 -6.2851 -6.2851 -5.8636 -5.8636 -5.7226 -5.7226 -5.4326 -5.4326 -5.3849 -5.3849 -5.2295 -5.2295 -5.1799 -5.1799 -4.7955 -4.7955 -4.6847 -4.6847 -4.5712 -4.5712 -4.5557 -4.5557 -3.0733 -3.0733 -3.0157 -3.0157 4.2596 4.2596 4.4719 4.4719 4.8916 4.8916 5.0603 5.0603 5.2289 5.2289 5.5406 5.5406 8.6626 8.6626 8.8425 8.8425 9.4135 9.4135 10.0178 10.0178 10.2312 10.2312 k = 0.2162 0.3745-0.0000 ( 4938 PWs) bands (ev): -21.5734 -21.5734 -21.4911 -21.4911 -20.6659 -20.6659 -20.6633 -20.6633 -6.5493 -6.5493 -6.2831 -6.2831 -5.8571 -5.8571 -5.7128 -5.7128 -5.4368 -5.4368 -5.3835 -5.3835 -5.2264 -5.2264 -5.1849 -5.1849 -4.7926 -4.7926 -4.6865 -4.6865 -4.5736 -4.5736 -4.5536 -4.5536 -3.0828 -3.0828 -3.0293 -3.0293 4.2657 4.2657 4.4662 4.4662 4.9000 4.9000 5.0458 5.0458 5.2222 5.2222 5.5404 5.5404 8.6914 8.6914 8.8967 8.8967 9.3694 9.3694 9.9724 9.9724 10.2046 10.2046 k = 0.2072 0.3589-0.0000 ( 4950 PWs) bands (ev): -21.5736 -21.5736 -21.4912 -21.4912 -20.6658 -20.6658 -20.6632 -20.6632 -6.5488 -6.5488 -6.2811 -6.2811 -5.8501 -5.8501 -5.7025 -5.7025 -5.4408 -5.4408 -5.3820 -5.3820 -5.2235 -5.2235 -5.1907 -5.1907 -4.7888 -4.7888 -4.6883 -4.6883 -4.5765 -4.5765 -4.5512 -4.5512 -3.0937 -3.0937 -3.0437 -3.0437 4.2746 4.2746 4.4589 4.4589 4.9071 4.9071 5.0300 5.0300 5.2141 5.2141 5.5445 5.5445 8.7193 8.7193 8.9492 8.9492 9.3281 9.3281 9.9225 9.9225 10.1740 10.1740 k = 0.1982 0.3433-0.0000 ( 4954 PWs) bands (ev): -21.5739 -21.5739 -21.4912 -21.4912 -20.6658 -20.6658 -20.6631 -20.6631 -6.5482 -6.5482 -6.2792 -6.2792 -5.8426 -5.8426 -5.6918 -5.6918 -5.4445 -5.4445 -5.3804 -5.3804 -5.2206 -5.2206 -5.1970 -5.1970 -4.7841 -4.7841 -4.6901 -4.6901 -4.5799 -4.5799 -4.5485 -4.5485 -3.1062 -3.1062 -3.0585 -3.0585 4.2862 4.2862 4.4504 4.4504 4.9126 4.9126 5.0130 5.0130 5.2054 5.2054 5.5525 5.5525 8.7446 8.7446 8.9985 8.9985 9.2902 9.2902 9.8693 9.8693 10.1390 10.1390 k = 0.1892 0.3277-0.0000 ( 4948 PWs) bands (ev): -21.5741 -21.5741 -21.4912 -21.4912 -20.6657 -20.6657 -20.6630 -20.6630 -6.5474 -6.5474 -6.2773 -6.2773 -5.8346 -5.8346 -5.6808 -5.6808 -5.4478 -5.4478 -5.3788 -5.3788 -5.2178 -5.2178 -5.2039 -5.2039 -4.7783 -4.7783 -4.6918 -4.6918 -4.5838 -4.5838 -4.5456 -4.5456 -3.1206 -3.1206 -3.0734 -3.0734 4.3000 4.3000 4.4411 4.4411 4.9159 4.9159 4.9950 4.9950 5.1969 5.1969 5.5642 5.5642 8.7655 8.7655 9.0431 9.0431 9.2566 9.2566 9.8136 9.8136 10.1006 10.1006 k = 0.1802 0.3121-0.0000 ( 4950 PWs) bands (ev): -21.5744 -21.5744 -21.4912 -21.4912 -20.6656 -20.6656 -20.6629 -20.6629 -6.5465 -6.5465 -6.2756 -6.2756 -5.8261 -5.8261 -5.6698 -5.6698 -5.4505 -5.4505 -5.3774 -5.3774 -5.2152 -5.2152 -5.2111 -5.2111 -4.7716 -4.7716 -4.6933 -4.6933 -4.5882 -4.5882 -4.5425 -4.5425 -3.1374 -3.1374 -3.0878 -3.0878 4.3153 4.3153 4.4320 4.4320 4.9162 4.9162 4.9764 4.9764 5.1899 5.1899 5.5790 5.5790 8.7800 8.7800 9.0819 9.0819 9.2280 9.2280 9.7561 9.7561 10.0603 10.0603 k = 0.1712 0.2965-0.0000 ( 4946 PWs) bands (ev): -21.5746 -21.5746 -21.4913 -21.4913 -20.6655 -20.6655 -20.6628 -20.6628 -6.5456 -6.5456 -6.2739 -6.2739 -5.8172 -5.8172 -5.6587 -5.6587 -5.4526 -5.4526 -5.3762 -5.3762 -5.2188 -5.2188 -5.2125 -5.2125 -4.7639 -4.7639 -4.6946 -4.6946 -4.5929 -4.5929 -4.5392 -4.5392 -3.1566 -3.1566 -3.1016 -3.1016 4.3300 4.3300 4.4251 4.4251 4.9129 4.9129 4.9577 4.9577 5.1850 5.1850 5.5963 5.5963 8.7861 8.7861 9.1135 9.1135 9.2048 9.2048 9.6978 9.6978 10.0198 10.0198 k = 0.1622 0.2809-0.0000 ( 4958 PWs) bands (ev): -21.5749 -21.5749 -21.4913 -21.4913 -20.6654 -20.6654 -20.6627 -20.6627 -6.5445 -6.5445 -6.2724 -6.2724 -5.8078 -5.8078 -5.6479 -5.6479 -5.4540 -5.4540 -5.3754 -5.3754 -5.2266 -5.2266 -5.2101 -5.2101 -4.7554 -4.7554 -4.6957 -4.6957 -4.5979 -4.5979 -4.5358 -4.5358 -3.1781 -3.1781 -3.1146 -3.1146 4.3404 4.3404 4.4244 4.4244 4.9054 4.9054 4.9396 4.9396 5.1830 5.1830 5.6158 5.6158 8.7816 8.7816 9.1375 9.1375 9.1877 9.1877 9.6400 9.6400 9.9806 9.9806 k = 0.1532 0.2653-0.0000 ( 4964 PWs) bands (ev): -21.5751 -21.5751 -21.4913 -21.4913 -20.6653 -20.6653 -20.6626 -20.6626 -6.5433 -6.5433 -6.2710 -6.2710 -5.7979 -5.7979 -5.6375 -5.6375 -5.4546 -5.4546 -5.3752 -5.3752 -5.2344 -5.2344 -5.2078 -5.2078 -4.7461 -4.7461 -4.6964 -4.6964 -4.6031 -4.6031 -4.5324 -4.5324 -3.2015 -3.2015 -3.1270 -3.1270 4.3420 4.3420 4.4342 4.4342 4.8935 4.8935 4.9226 4.9226 5.1839 5.1839 5.6371 5.6371 8.7648 8.7648 9.1533 9.1533 9.1772 9.1772 9.5846 9.5846 9.9434 9.9434 k = 0.1441 0.2497-0.0000 ( 4965 PWs) bands (ev): -21.5754 -21.5754 -21.4914 -21.4914 -20.6652 -20.6652 -20.6626 -20.6626 -6.5421 -6.5421 -6.2698 -6.2698 -5.7876 -5.7876 -5.6275 -5.6275 -5.4544 -5.4544 -5.3755 -5.3755 -5.2421 -5.2421 -5.2057 -5.2057 -4.7362 -4.7362 -4.6965 -4.6965 -4.6085 -4.6085 -4.5289 -4.5289 -3.2265 -3.2265 -3.1389 -3.1389 4.3353 4.3353 4.4540 4.4540 4.8779 4.8779 4.9067 4.9067 5.1877 5.1877 5.6597 5.6597 8.7347 8.7347 9.1614 9.1614 9.1735 9.1735 9.5330 9.5330 9.9060 9.9060 k = 0.1351 0.2341-0.0000 ( 4965 PWs) bands (ev): -21.5757 -21.5757 -21.4914 -21.4914 -20.6651 -20.6651 -20.6625 -20.6625 -6.5408 -6.5408 -6.2686 -6.2686 -5.7768 -5.7768 -5.6183 -5.6183 -5.4533 -5.4533 -5.3768 -5.3768 -5.2494 -5.2494 -5.2036 -5.2036 -4.7265 -4.7265 -4.6955 -4.6955 -4.6139 -4.6139 -4.5255 -4.5255 -3.2528 -3.2528 -3.1503 -3.1503 4.3238 4.3238 4.4799 4.4799 4.8603 4.8603 4.8912 4.8912 5.1939 5.1939 5.6834 5.6834 8.6913 8.6913 9.1637 9.1637 9.1756 9.1756 9.4866 9.4866 9.8339 9.8339 k = 0.1261 0.2185-0.0000 ( 4955 PWs) bands (ev): -21.5759 -21.5759 -21.4914 -21.4914 -20.6649 -20.6649 -20.6625 -20.6625 -6.5394 -6.5394 -6.2676 -6.2676 -5.7657 -5.7657 -5.6099 -5.6099 -5.4514 -5.4514 -5.3791 -5.3791 -5.2562 -5.2562 -5.2017 -5.2017 -4.7181 -4.7181 -4.6923 -4.6923 -4.6192 -4.6192 -4.5222 -4.5222 -3.2801 -3.2801 -3.1614 -3.1614 4.3103 4.3103 4.5092 4.5092 4.8419 4.8419 4.8757 4.8757 5.2023 5.2023 5.7079 5.7079 8.6354 8.6354 9.1608 9.1608 9.1841 9.1841 9.4458 9.4458 9.7426 9.7426 k = 0.1171 0.2029-0.0000 ( 4959 PWs) bands (ev): -21.5762 -21.5762 -21.4914 -21.4914 -20.6648 -20.6648 -20.6624 -20.6624 -6.5381 -6.5381 -6.2667 -6.2667 -5.7542 -5.7542 -5.6023 -5.6023 -5.4487 -5.4487 -5.3827 -5.3827 -5.2622 -5.2622 -5.1999 -5.1999 -4.7126 -4.7126 -4.6858 -4.6858 -4.6240 -4.6240 -4.5190 -4.5190 -3.3080 -3.3080 -3.1719 -3.1719 4.2958 4.2958 4.5402 4.5402 4.8236 4.8236 4.8601 4.8601 5.2124 5.2124 5.7329 5.7329 8.5691 8.5691 9.1529 9.1529 9.1998 9.1998 9.4103 9.4103 9.6532 9.6532 k = 0.1081 0.1872-0.0000 ( 4959 PWs) bands (ev): -21.5764 -21.5764 -21.4915 -21.4915 -20.6647 -20.6647 -20.6624 -20.6624 -6.5367 -6.5367 -6.2659 -6.2659 -5.7424 -5.7424 -5.5957 -5.5957 -5.4452 -5.4452 -5.3876 -5.3876 -5.2672 -5.2672 -5.1981 -5.1981 -4.7098 -4.7098 -4.6767 -4.6767 -4.6278 -4.6278 -4.5160 -4.5160 -3.3363 -3.3363 -3.1820 -3.1820 4.2813 4.2813 4.5718 4.5718 4.8058 4.8058 4.8446 4.8446 5.2242 5.2242 5.7582 5.7582 8.4950 8.4950 9.1415 9.1415 9.2224 9.2224 9.3795 9.3795 9.5675 9.5675 k = 0.0991 0.1716-0.0000 ( 4957 PWs) bands (ev): -21.5766 -21.5766 -21.4915 -21.4915 -20.6645 -20.6645 -20.6623 -20.6623 -6.5354 -6.5354 -6.2652 -6.2652 -5.7304 -5.7304 -5.5898 -5.5898 -5.4413 -5.4413 -5.3939 -5.3939 -5.2713 -5.2713 -5.1965 -5.1965 -4.7084 -4.7084 -4.6676 -4.6676 -4.6294 -4.6294 -4.5131 -4.5131 -3.3646 -3.3646 -3.1915 -3.1915 4.2670 4.2670 4.6030 4.6030 4.7888 4.7888 4.8297 4.8297 5.2375 5.2375 5.7835 5.7835 8.4156 8.4156 9.1278 9.1278 9.2514 9.2514 9.3527 9.3527 9.4861 9.4861 k = 0.0901 0.1560-0.0000 ( 4961 PWs) bands (ev): -21.5769 -21.5769 -21.4915 -21.4915 -20.6644 -20.6644 -20.6623 -20.6623 -6.5342 -6.5342 -6.2646 -6.2646 -5.7183 -5.7183 -5.5846 -5.5846 -5.4370 -5.4370 -5.4015 -5.4015 -5.2743 -5.2743 -5.1949 -5.1949 -4.7077 -4.7077 -4.6619 -4.6619 -4.6264 -4.6264 -4.5104 -4.5104 -3.3927 -3.3927 -3.2004 -3.2004 4.2533 4.2533 4.6329 4.6329 4.7728 4.7728 4.8155 4.8155 5.2522 5.2522 5.8086 5.8086 8.3336 8.3336 9.1128 9.1128 9.2865 9.2865 9.3290 9.3290 9.4098 9.4098 k = 0.0811 0.1404-0.0000 ( 4975 PWs) bands (ev): -21.5771 -21.5771 -21.4915 -21.4915 -20.6643 -20.6643 -20.6623 -20.6623 -6.5330 -6.5330 -6.2642 -6.2642 -5.7062 -5.7062 -5.5800 -5.5800 -5.4329 -5.4329 -5.4101 -5.4101 -5.2765 -5.2765 -5.1935 -5.1935 -4.7073 -4.7073 -4.6609 -4.6609 -4.6179 -4.6179 -4.5078 -4.5078 -3.4200 -3.4200 -3.2087 -3.2087 4.2403 4.2403 4.6607 4.6607 4.7581 4.7581 4.8025 4.8025 5.2682 5.2682 5.8330 5.8330 8.2514 8.2514 9.0972 9.0972 9.3080 9.3080 9.3253 9.3253 9.3409 9.3409 k = 0.0721 0.1248-0.0000 ( 4975 PWs) bands (ev): -21.5773 -21.5773 -21.4916 -21.4916 -20.6642 -20.6642 -20.6622 -20.6622 -6.5318 -6.5318 -6.2637 -6.2637 -5.6942 -5.6942 -5.5757 -5.5757 -5.4302 -5.4302 -5.4183 -5.4183 -5.2779 -5.2779 -5.1921 -5.1921 -4.7069 -4.7069 -4.6627 -4.6627 -4.6064 -4.6064 -4.5054 -4.5054 -3.4463 -3.4463 -3.2163 -3.2163 4.2283 4.2283 4.6856 4.6856 4.7447 4.7447 4.7911 4.7911 5.2853 5.2853 5.8565 5.8565 8.1710 8.1710 9.0818 9.0818 9.2728 9.2728 9.2897 9.2897 9.3739 9.3739 k = 0.0631 0.1092-0.0000 ( 4975 PWs) bands (ev): -21.5774 -21.5774 -21.4916 -21.4916 -20.6641 -20.6641 -20.6622 -20.6622 -6.5308 -6.5308 -6.2634 -6.2634 -5.6826 -5.6826 -5.5715 -5.5715 -5.4350 -5.4350 -5.4201 -5.4201 -5.2787 -5.2787 -5.1908 -5.1908 -4.7067 -4.7067 -4.6656 -4.6656 -4.5939 -4.5939 -4.5031 -4.5031 -3.4710 -3.4710 -3.2231 -3.2231 4.2174 4.2174 4.7066 4.7066 4.7327 4.7327 4.7818 4.7818 5.3032 5.3032 5.8787 5.8787 8.0945 8.0945 9.0671 9.0671 9.2142 9.2142 9.2735 9.2735 9.4237 9.4237 k = 0.0541 0.0936-0.0000 ( 4973 PWs) bands (ev): -21.5776 -21.5776 -21.4916 -21.4916 -20.6640 -20.6640 -20.6622 -20.6622 -6.5299 -6.5299 -6.2631 -6.2631 -5.6716 -5.6716 -5.5670 -5.5670 -5.4456 -5.4456 -5.4171 -5.4171 -5.2791 -5.2791 -5.1897 -5.1897 -4.7065 -4.7065 -4.6686 -4.6686 -4.5817 -4.5817 -4.5008 -4.5008 -3.4938 -3.4938 -3.2291 -3.2291 4.2078 4.2078 4.7208 4.7208 4.7237 4.7237 4.7761 4.7761 5.3213 5.3213 5.8992 5.8992 8.0236 8.0236 9.0536 9.0536 9.1622 9.1622 9.2594 9.2594 9.4766 9.4766 k = 0.0450 0.0780-0.0000 ( 4973 PWs) bands (ev): -21.5777 -21.5777 -21.4916 -21.4916 -20.6639 -20.6639 -20.6622 -20.6622 -6.5291 -6.5291 -6.2629 -6.2629 -5.6615 -5.6615 -5.5621 -5.5621 -5.4574 -5.4574 -5.4137 -5.4137 -5.2792 -5.2792 -5.1887 -5.1887 -4.7064 -4.7064 -4.6714 -4.6714 -4.5706 -4.5706 -4.4986 -4.4986 -3.5141 -3.5141 -3.2342 -3.2342 4.1995 4.1995 4.7130 4.7130 4.7311 4.7311 4.7755 4.7755 5.3389 5.3389 5.9176 5.9176 7.9600 7.9600 9.0416 9.0416 9.1174 9.1174 9.2474 9.2474 9.5309 9.5309 k = 0.0360 0.0624-0.0000 ( 4969 PWs) bands (ev): -21.5778 -21.5778 -21.4916 -21.4916 -20.6639 -20.6639 -20.6622 -20.6622 -6.5284 -6.5284 -6.2627 -6.2627 -5.6526 -5.6526 -5.5564 -5.5564 -5.4697 -5.4697 -5.4107 -5.4107 -5.2792 -5.2792 -5.1878 -5.1878 -4.7064 -4.7064 -4.6737 -4.6737 -4.5610 -4.5610 -4.4965 -4.4965 -3.5316 -3.5316 -3.2385 -3.2385 4.1925 4.1925 4.7056 4.7056 4.7329 4.7329 4.7800 4.7800 5.3550 5.3550 5.9335 5.9335 7.9054 7.9054 9.0314 9.0314 9.0802 9.0802 9.2376 9.2376 9.5840 9.5840 k = 0.0270 0.0468-0.0000 ( 4961 PWs) bands (ev): -21.5779 -21.5779 -21.4916 -21.4916 -20.6638 -20.6638 -20.6621 -20.6621 -6.5279 -6.5279 -6.2626 -6.2626 -5.6454 -5.6454 -5.5497 -5.5497 -5.4820 -5.4820 -5.4082 -5.4082 -5.2790 -5.2790 -5.1871 -5.1871 -4.7064 -4.7064 -4.6756 -4.6756 -4.5533 -4.5533 -4.4945 -4.4945 -3.5457 -3.5457 -3.2418 -3.2418 4.1871 4.1871 4.6998 4.6998 4.7314 4.7314 4.7860 4.7860 5.3689 5.3689 5.9464 5.9464 7.8612 7.8612 9.0233 9.0233 9.0509 9.0509 9.2299 9.2299 9.6317 9.6317 k = 0.0180 0.0312-0.0000 ( 4971 PWs) bands (ev): -21.5780 -21.5780 -21.4916 -21.4916 -20.6638 -20.6638 -20.6621 -20.6621 -6.5275 -6.5275 -6.2625 -6.2625 -5.6401 -5.6401 -5.5421 -5.5421 -5.4939 -5.4939 -5.4064 -5.4064 -5.2789 -5.2789 -5.1866 -5.1866 -4.7065 -4.7065 -4.6769 -4.6769 -4.5479 -4.5479 -4.4928 -4.4928 -3.5561 -3.5561 -3.2442 -3.2442 4.1832 4.1832 4.6956 4.6956 4.7293 4.7293 4.7912 4.7912 5.3795 5.3795 5.9560 5.9560 7.8286 7.8286 9.0173 9.0173 9.0298 9.0298 9.2244 9.2244 9.6676 9.6676 k = 0.0090 0.0156-0.0000 ( 4973 PWs) bands (ev): -21.5780 -21.5780 -21.4916 -21.4916 -20.6637 -20.6637 -20.6621 -20.6621 -6.5273 -6.5273 -6.2624 -6.2624 -5.6368 -5.6368 -5.5342 -5.5342 -5.5044 -5.5044 -5.4053 -5.4053 -5.2788 -5.2788 -5.1863 -5.1863 -4.7065 -4.7065 -4.6777 -4.6777 -4.5446 -4.5446 -4.4916 -4.4916 -3.5625 -3.5625 -3.2457 -3.2457 4.1808 4.1808 4.6931 4.6931 4.7277 4.7277 4.7946 4.7946 5.3862 5.3862 5.9618 5.9618 7.8086 7.8086 9.0133 9.0133 9.0174 9.0174 9.2211 9.2211 9.6867 9.6867 k = 0.0000 0.0000 0.0000 ( 4951 PWs) bands (ev): -21.5780 -21.5780 -21.4916 -21.4916 -20.6637 -20.6637 -20.6621 -20.6621 -6.5272 -6.5272 -6.2624 -6.2624 -5.6358 -5.6358 -5.5296 -5.5296 -5.5098 -5.5098 -5.4049 -5.4049 -5.2787 -5.2787 -5.1861 -5.1861 -4.7065 -4.7065 -4.6780 -4.6780 -4.5435 -4.5435 -4.4912 -4.4912 -3.5646 -3.5646 -3.2462 -3.2462 4.1800 4.1800 4.6923 4.6923 4.7272 4.7272 4.7957 4.7957 5.3885 5.3885 5.9638 5.9638 7.8019 7.8019 9.0113 9.0113 9.0140 9.0140 9.2200 9.2200 9.6920 9.6920 k = 0.0000 0.0000 0.0000 ( 4951 PWs) bands (ev): -21.5780 -21.5780 -21.4916 -21.4916 -20.6637 -20.6637 -20.6621 -20.6621 -6.5272 -6.5272 -6.2624 -6.2624 -5.6358 -5.6358 -5.5296 -5.5296 -5.5098 -5.5098 -5.4049 -5.4049 -5.2787 -5.2787 -5.1861 -5.1861 -4.7065 -4.7065 -4.6780 -4.6780 -4.5435 -4.5435 -4.4912 -4.4912 -3.5646 -3.5646 -3.2462 -3.2462 4.1800 4.1800 4.6923 4.6923 4.7272 4.7272 4.7957 4.7957 5.3885 5.3885 5.9638 5.9638 7.8019 7.8019 9.0113 9.0113 9.0140 9.0140 9.2200 9.2200 9.6920 9.6920 k = 0.0000 0.0000 0.0181 ( 4969 PWs) bands (ev): -21.5779 -21.5779 -21.4917 -21.4917 -20.6637 -20.6637 -20.6622 -20.6622 -6.5265 -6.5265 -6.2624 -6.2624 -5.6360 -5.6360 -5.5292 -5.5292 -5.5096 -5.5096 -5.4053 -5.4053 -5.2791 -5.2791 -5.1870 -5.1870 -4.7063 -4.7063 -4.6782 -4.6782 -4.5437 -4.5437 -4.4922 -4.4922 -3.5631 -3.5631 -3.2457 -3.2457 4.1801 4.1801 4.6919 4.6919 4.7278 4.7278 4.7943 4.7943 5.3872 5.3872 5.9570 5.9570 7.8069 7.8069 9.0143 9.0143 9.0172 9.0172 9.2287 9.2287 9.6931 9.6931 k = 0.0000 0.0000 0.0362 ( 4963 PWs) bands (ev): -21.5776 -21.5776 -21.4921 -21.4921 -20.6637 -20.6637 -20.6621 -20.6621 -6.5244 -6.5244 -6.2625 -6.2625 -5.6368 -5.6368 -5.5277 -5.5277 -5.5088 -5.5088 -5.4064 -5.4064 -5.2802 -5.2802 -5.1896 -5.1896 -4.7054 -4.7054 -4.6787 -4.6787 -4.5442 -4.5442 -4.4952 -4.4952 -3.5584 -3.5584 -3.2444 -3.2444 4.1804 4.1804 4.6908 4.6908 4.7296 4.7296 4.7903 4.7903 5.3834 5.3834 5.9369 5.9369 7.8217 7.8217 9.0233 9.0233 9.0268 9.0268 9.2546 9.2546 9.6963 9.6963 k = 0.0000 0.0000 0.0543 ( 4963 PWs) bands (ev): -21.5771 -21.5771 -21.4926 -21.4926 -20.6637 -20.6637 -20.6621 -20.6621 -6.5210 -6.5210 -6.2625 -6.2625 -5.6381 -5.6381 -5.5254 -5.5254 -5.5076 -5.5076 -5.4084 -5.4084 -5.2819 -5.2819 -5.1938 -5.1938 -4.7041 -4.7041 -4.6795 -4.6795 -4.5450 -4.5450 -4.5001 -4.5001 -3.5507 -3.5507 -3.2422 -3.2422 4.1809 4.1809 4.6891 4.6891 4.7326 4.7326 4.7835 4.7835 5.3772 5.3772 5.9045 5.9045 7.8457 7.8457 9.0383 9.0383 9.0427 9.0427 9.2972 9.2972 9.7017 9.7017 k = 0.0000 0.0000 0.0724 ( 4952 PWs) bands (ev): -21.5763 -21.5763 -21.4934 -21.4934 -20.6637 -20.6637 -20.6621 -20.6621 -6.5163 -6.5163 -6.2626 -6.2626 -5.6397 -5.6397 -5.5223 -5.5223 -5.5058 -5.5058 -5.4111 -5.4111 -5.2845 -5.2845 -5.1996 -5.1996 -4.7023 -4.7023 -4.6806 -4.6806 -4.5463 -4.5463 -4.5066 -4.5066 -3.5403 -3.5403 -3.2393 -3.2393 4.1815 4.1815 4.6869 4.6869 4.7368 4.7368 4.7742 4.7742 5.3685 5.3685 5.8614 5.8614 7.8781 7.8781 9.0590 9.0590 9.0646 9.0646 9.3555 9.3555 9.7092 9.7092 k = 0.0000 0.0000 0.0906 ( 4946 PWs) bands (ev): -21.5754 -21.5754 -21.4944 -21.4944 -20.6637 -20.6637 -20.6621 -20.6621 -6.5103 -6.5103 -6.2628 -6.2628 -5.6415 -5.6415 -5.5186 -5.5186 -5.5035 -5.5035 -5.4146 -5.4146 -5.2876 -5.2876 -5.2070 -5.2070 -4.6999 -4.6999 -4.6820 -4.6820 -4.5478 -4.5478 -4.5147 -4.5147 -3.5274 -3.5274 -3.2357 -3.2357 4.1824 4.1824 4.6845 4.6845 4.7422 4.7422 4.7623 4.7623 5.3577 5.3577 5.8096 5.8096 7.9180 7.9180 9.0853 9.0853 9.0925 9.0925 9.4285 9.4285 9.7186 9.7186 k = 0.0000 0.0000 0.1087 ( 4952 PWs) bands (ev): -21.5742 -21.5742 -21.4956 -21.4956 -20.6636 -20.6636 -20.6621 -20.6621 -6.5031 -6.5031 -6.2631 -6.2631 -5.6434 -5.6434 -5.5142 -5.5142 -5.5008 -5.5008 -5.4189 -5.4189 -5.2913 -5.2913 -5.2158 -5.2158 -4.6972 -4.6972 -4.6836 -4.6836 -4.5496 -4.5496 -4.5240 -4.5240 -3.5123 -3.5123 -3.2316 -3.2316 4.1835 4.1835 4.6822 4.6822 4.7479 4.7479 4.7488 4.7488 5.3447 5.3447 5.7509 5.7509 7.9645 7.9645 9.1170 9.1170 9.1259 9.1259 9.5147 9.5147 9.7299 9.7299 k = 0.0000 0.0000 0.1268 ( 4958 PWs) bands (ev): -21.5729 -21.5729 -21.4970 -21.4970 -20.6636 -20.6636 -20.6622 -20.6622 -6.4948 -6.4948 -6.2635 -6.2635 -5.6453 -5.6453 -5.5094 -5.5094 -5.4976 -5.4976 -5.4240 -5.4240 -5.2958 -5.2958 -5.2258 -5.2258 -4.6939 -4.6939 -4.6853 -4.6853 -4.5518 -4.5518 -4.5342 -4.5342 -3.4954 -3.4954 -3.2270 -3.2270 4.1848 4.1848 4.6802 4.6802 4.7311 4.7311 4.7566 4.7566 5.3297 5.3297 5.6872 5.6872 8.0171 8.0171 9.1537 9.1537 9.1646 9.1646 9.6128 9.6128 9.7430 9.7430 k = 0.0000 0.0000 0.1449 ( 4964 PWs) bands (ev): -21.5713 -21.5713 -21.4986 -21.4986 -20.6636 -20.6636 -20.6622 -20.6622 -6.4855 -6.4855 -6.2641 -6.2641 -5.6469 -5.6469 -5.5042 -5.5042 -5.4939 -5.4939 -5.4300 -5.4300 -5.3007 -5.3007 -5.2369 -5.2369 -4.6903 -4.6903 -4.6871 -4.6871 -4.5543 -4.5543 -4.5452 -4.5452 -3.4769 -3.4769 -3.2223 -3.2223 4.1865 4.1865 4.6788 4.6788 4.7121 4.7121 4.7655 4.7655 5.3130 5.3130 5.6202 5.6202 8.0750 8.0750 9.1951 9.1951 9.2082 9.2082 9.7212 9.7212 9.7577 9.7577 k = 0.0000 0.0000 0.1630 ( 4976 PWs) bands (ev): -21.5696 -21.5696 -21.5004 -21.5004 -20.6635 -20.6635 -20.6622 -20.6622 -6.4753 -6.4753 -6.2649 -6.2649 -5.6481 -5.6481 -5.4986 -5.4986 -5.4898 -5.4898 -5.4368 -5.4368 -5.3062 -5.3062 -5.2490 -5.2490 -4.6888 -4.6888 -4.6863 -4.6863 -4.5572 -4.5572 -4.5567 -4.5567 -3.4573 -3.4573 -3.2174 -3.2174 4.1886 4.1886 4.6785 4.6785 4.6909 4.6909 4.7756 4.7756 5.2947 5.2947 5.5515 5.5515 8.1379 8.1379 9.2407 9.2407 9.2561 9.2561 9.7736 9.7736 9.8385 9.8385 k = 0.0000 0.0000 0.1811 ( 4952 PWs) bands (ev): -21.5677 -21.5677 -21.5024 -21.5024 -20.6635 -20.6635 -20.6622 -20.6622 -6.4642 -6.4642 -6.2659 -6.2659 -5.6488 -5.6488 -5.4927 -5.4927 -5.4852 -5.4852 -5.4446 -5.4446 -5.3121 -5.3121 -5.2617 -5.2617 -4.6904 -4.6904 -4.6819 -4.6819 -4.5683 -4.5683 -4.5603 -4.5603 -3.4369 -3.4369 -3.2127 -3.2127 4.1912 4.1912 4.6678 4.6678 4.6794 4.6794 4.7868 4.7868 5.2751 5.2751 5.4824 5.4824 8.2053 8.2053 9.2901 9.2901 9.3078 9.3078 9.7907 9.7907 9.8621 9.8621 k = 0.0000 0.0000 0.1992 ( 4952 PWs) bands (ev): -21.5656 -21.5656 -21.5045 -21.5045 -20.6634 -20.6634 -20.6623 -20.6623 -6.4524 -6.4524 -6.2673 -6.2673 -5.6489 -5.6489 -5.4866 -5.4866 -5.4802 -5.4802 -5.4532 -5.4532 -5.3185 -5.3185 -5.2750 -5.2750 -4.6919 -4.6919 -4.6773 -4.6773 -4.5800 -4.5800 -4.5637 -4.5637 -3.4160 -3.4160 -3.2083 -3.2083 4.1945 4.1945 4.6428 4.6428 4.6819 4.6819 4.7991 4.7991 5.2543 5.2543 5.4141 5.4141 8.2770 8.2770 9.3428 9.3428 9.3628 9.3628 9.8085 9.8085 9.8787 9.8787 k = 0.0000 0.0000 0.2173 ( 4952 PWs) bands (ev): -21.5634 -21.5634 -21.5068 -21.5068 -20.6634 -20.6634 -20.6623 -20.6623 -6.4401 -6.4401 -6.2690 -6.2690 -5.6483 -5.6483 -5.4803 -5.4803 -5.4748 -5.4748 -5.4627 -5.4627 -5.3253 -5.3253 -5.2884 -5.2884 -4.6931 -4.6931 -4.6724 -4.6724 -4.5916 -4.5916 -4.5674 -4.5674 -3.3950 -3.3950 -3.2044 -3.2044 4.1986 4.1986 4.6163 4.6163 4.6862 4.6862 4.8125 4.8125 5.2325 5.2325 5.3473 5.3473 8.3527 8.3527 9.3979 9.3979 9.4204 9.4204 9.8267 9.8267 9.8955 9.8955 k = 0.0000 0.0000 0.2354 ( 4952 PWs) bands (ev): -21.5610 -21.5610 -21.5092 -21.5092 -20.6633 -20.6633 -20.6623 -20.6623 -6.4274 -6.4274 -6.2711 -6.2711 -5.6469 -5.6469 -5.4738 -5.4738 -5.4731 -5.4731 -5.4691 -5.4691 -5.3324 -5.3324 -5.3019 -5.3019 -4.6939 -4.6939 -4.6673 -4.6673 -4.6028 -4.6028 -4.5714 -4.5714 -3.3740 -3.3740 -3.2011 -3.2011 4.2037 4.2037 4.5884 4.5884 4.6925 4.6925 4.8269 4.8269 5.2099 5.2099 5.2830 5.2830 8.4322 8.4322 9.4549 9.4549 9.4797 9.4797 9.8446 9.8446 9.9121 9.9121 k = 0.0000 0.0000 0.2536 ( 4964 PWs) bands (ev): -21.5585 -21.5585 -21.5118 -21.5118 -20.6633 -20.6633 -20.6624 -20.6624 -6.4145 -6.4145 -6.2738 -6.2738 -5.6446 -5.6446 -5.4844 -5.4844 -5.4671 -5.4671 -5.4629 -5.4629 -5.3398 -5.3398 -5.3153 -5.3153 -4.6944 -4.6944 -4.6620 -4.6620 -4.6137 -4.6137 -4.5756 -4.5756 -3.3535 -3.3535 -3.1987 -3.1987 4.2102 4.2102 4.5593 4.5593 4.7009 4.7009 4.8424 4.8424 5.1868 5.1868 5.2215 5.2215 8.5151 8.5151 9.5129 9.5129 9.5399 9.5399 9.8613 9.8613 9.9277 9.9277 k = 0.0000 0.0000 0.2717 ( 4982 PWs) bands (ev): -21.5559 -21.5559 -21.5145 -21.5145 -20.6632 -20.6632 -20.6624 -20.6624 -6.4015 -6.4015 -6.2770 -6.2770 -5.6413 -5.6413 -5.4964 -5.4964 -5.4602 -5.4602 -5.4565 -5.4565 -5.3475 -5.3475 -5.3283 -5.3283 -4.6944 -4.6944 -4.6565 -4.6565 -4.6240 -4.6240 -4.5801 -4.5801 -3.3336 -3.3336 -3.1974 -3.1974 4.2181 4.2181 4.5295 4.5295 4.7117 4.7117 4.8589 4.8589 5.1632 5.1632 5.1635 5.1635 8.6012 8.6012 9.5709 9.5709 9.6000 9.6000 9.8719 9.8719 9.9032 9.9032 k = 0.0000 0.0000 0.2898 ( 4982 PWs) bands (ev): -21.5532 -21.5532 -21.5173 -21.5173 -20.6632 -20.6632 -20.6625 -20.6625 -6.3886 -6.3886 -6.2809 -6.2809 -5.6368 -5.6368 -5.5090 -5.5090 -5.4530 -5.4530 -5.4497 -5.4497 -5.3553 -5.3553 -5.3408 -5.3408 -4.6939 -4.6939 -4.6509 -4.6509 -4.6337 -4.6337 -4.5847 -4.5847 -3.3145 -3.3145 -3.1972 -3.1972 4.2278 4.2278 4.4992 4.4992 4.7248 4.7248 4.8763 4.8763 5.1090 5.1090 5.1393 5.1393 8.6900 8.6900 9.6278 9.6278 9.6591 9.6591 9.8131 9.8131 9.8952 9.8952 k = 0.0000 0.0000 0.3079 ( 4982 PWs) bands (ev): -21.5504 -21.5504 -21.5202 -21.5202 -20.6631 -20.6631 -20.6625 -20.6625 -6.3759 -6.3759 -6.2855 -6.2855 -5.6312 -5.6312 -5.5220 -5.5220 -5.4457 -5.4457 -5.4427 -5.4427 -5.3633 -5.3633 -5.3529 -5.3529 -4.6928 -4.6928 -4.6452 -4.6452 -4.6428 -4.6428 -4.5896 -4.5896 -3.2965 -3.2965 -3.1984 -3.1984 4.2394 4.2394 4.4689 4.4689 4.7405 4.7405 4.8946 4.8946 5.0583 5.0583 5.1154 5.1154 8.7814 8.7814 9.6824 9.6824 9.7158 9.7158 9.7290 9.7290 9.9051 9.9051 k = 0.0000 0.0000 0.3260 ( 4970 PWs) bands (ev): -21.5474 -21.5474 -21.5231 -21.5231 -20.6630 -20.6630 -20.6625 -20.6625 -6.3636 -6.3636 -6.2908 -6.2908 -5.6245 -5.6245 -5.5353 -5.5353 -5.4380 -5.4380 -5.4353 -5.4353 -5.3714 -5.3714 -5.3643 -5.3643 -4.6910 -4.6910 -4.6512 -4.6512 -4.6394 -4.6394 -4.5947 -4.5947 -3.2797 -3.2797 -3.2009 -3.2009 4.2531 4.2531 4.4390 4.4390 4.7588 4.7588 4.9138 4.9138 5.0114 5.0114 5.0914 5.0914 8.8748 8.8748 9.6401 9.6401 9.7336 9.7336 9.7690 9.7690 9.9117 9.9117 k = 0.0000 0.0000 0.3441 ( 4988 PWs) bands (ev): -21.5445 -21.5445 -21.5261 -21.5261 -20.6630 -20.6630 -20.6626 -20.6626 -6.3519 -6.3519 -6.2970 -6.2970 -5.6166 -5.6166 -5.5486 -5.5486 -5.4302 -5.4302 -5.4278 -5.4278 -5.3796 -5.3796 -5.3752 -5.3752 -4.6886 -4.6886 -4.6588 -4.6588 -4.6337 -4.6337 -4.5999 -4.5999 -3.2643 -3.2643 -3.2051 -3.2051 4.2691 4.2691 4.4098 4.4098 4.7797 4.7797 4.9338 4.9338 4.9682 4.9682 5.0676 5.0676 8.9699 8.9699 9.5481 9.5481 9.7800 9.7800 9.8176 9.8176 9.9135 9.9135 k = 0.0000 0.0000 0.3622 ( 4982 PWs) bands (ev): -21.5415 -21.5415 -21.5292 -21.5292 -20.6629 -20.6629 -20.6627 -20.6627 -6.3407 -6.3407 -6.3040 -6.3040 -5.6075 -5.6075 -5.5616 -5.5616 -5.4220 -5.4220 -5.4201 -5.4201 -5.3878 -5.3878 -5.3855 -5.3855 -4.6855 -4.6855 -4.6657 -4.6657 -4.6279 -4.6279 -4.6053 -4.6053 -3.2503 -3.2503 -3.2108 -3.2108 4.2873 4.2873 4.3817 4.3817 4.8035 4.8035 4.9286 4.9286 4.9546 4.9546 5.0441 5.0441 9.0663 9.0663 9.4536 9.4536 9.8204 9.8204 9.8603 9.8603 9.9094 9.9094 k = 0.0000 0.0000 0.3803 ( 4988 PWs) bands (ev): -21.5384 -21.5384 -21.5322 -21.5322 -20.6629 -20.6629 -20.6627 -20.6627 -6.3303 -6.3303 -6.3119 -6.3119 -5.5973 -5.5973 -5.5743 -5.5743 -5.4135 -5.4135 -5.4122 -5.4122 -5.3960 -5.3960 -5.3953 -5.3953 -4.6817 -4.6817 -4.6718 -4.6718 -4.6221 -4.6221 -4.6108 -4.6108 -3.2380 -3.2380 -3.2182 -3.2182 4.3078 4.3078 4.3552 4.3552 4.8301 4.8301 4.8925 4.8925 4.9761 4.9761 5.0209 5.0209 9.1633 9.1633 9.3576 9.3576 9.8540 9.8540 9.8962 9.8962 9.8985 9.8985 k = 0.0000 0.0000 0.3984 ( 4982 PWs) bands (ev): -21.5353 -21.5353 -21.5353 -21.5353 -20.6628 -20.6628 -20.6628 -20.6628 -6.3207 -6.3207 -6.3207 -6.3207 -5.5862 -5.5862 -5.5862 -5.5862 -5.4046 -5.4046 -5.4046 -5.4046 -5.4041 -5.4041 -5.4041 -5.4041 -4.6771 -4.6771 -4.6771 -4.6771 -4.6164 -4.6164 -4.6164 -4.6164 -3.2272 -3.2272 -3.2272 -3.2272 4.3305 4.3305 4.3305 4.3305 4.8597 4.8597 4.8597 4.8597 4.9983 4.9983 4.9983 4.9983 9.2607 9.2607 9.2607 9.2607 9.8801 9.8801 9.8801 9.8801 9.9248 9.9248 k = 0.0000 0.0000 0.3984 ( 4982 PWs) bands (ev): -21.5353 -21.5353 -21.5353 -21.5353 -20.6628 -20.6628 -20.6628 -20.6628 -6.3207 -6.3207 -6.3207 -6.3207 -5.5862 -5.5862 -5.5862 -5.5862 -5.4046 -5.4046 -5.4046 -5.4046 -5.4041 -5.4041 -5.4041 -5.4041 -4.6771 -4.6771 -4.6771 -4.6771 -4.6164 -4.6164 -4.6164 -4.6164 -3.2272 -3.2272 -3.2272 -3.2272 4.3305 4.3305 4.3305 4.3305 4.8597 4.8597 4.8597 4.8597 4.9983 4.9983 4.9983 4.9983 9.2607 9.2607 9.2607 9.2607 9.8801 9.8801 9.8801 9.8801 9.9248 9.9248 k = 0.0156 0.0090 0.3984 ( 4986 PWs) bands (ev): -21.5353 -21.5353 -21.5353 -21.5353 -20.6628 -20.6628 -20.6628 -20.6628 -6.3207 -6.3207 -6.3207 -6.3207 -5.5868 -5.5868 -5.5868 -5.5868 -5.4124 -5.4124 -5.4124 -5.4124 -5.3961 -5.3961 -5.3961 -5.3961 -4.6786 -4.6786 -4.6786 -4.6786 -4.6151 -4.6151 -4.6151 -4.6151 -3.2264 -3.2264 -3.2264 -3.2264 4.3289 4.3289 4.3289 4.3289 4.8579 4.8579 4.8579 4.8579 5.0022 5.0022 5.0022 5.0022 9.2626 9.2626 9.2626 9.2626 9.8802 9.8802 9.8802 9.8802 9.9249 9.9249 k = 0.0312 0.0180 0.3984 ( 4970 PWs) bands (ev): -21.5353 -21.5353 -21.5353 -21.5353 -20.6628 -20.6628 -20.6628 -20.6628 -6.3208 -6.3208 -6.3208 -6.3208 -5.5887 -5.5887 -5.5887 -5.5887 -5.4201 -5.4201 -5.4201 -5.4201 -5.3877 -5.3877 -5.3877 -5.3877 -4.6827 -4.6827 -4.6827 -4.6827 -4.6113 -4.6113 -4.6113 -4.6113 -3.2237 -3.2237 -3.2237 -3.2237 4.3242 4.3242 4.3242 4.3242 4.8531 4.8531 4.8531 4.8531 5.0133 5.0133 5.0133 5.0133 9.2684 9.2684 9.2684 9.2684 9.8805 9.8805 9.8805 9.8805 9.9253 9.9253 k = 0.0469 0.0271 0.3984 ( 4964 PWs) bands (ev): -21.5352 -21.5352 -21.5352 -21.5352 -20.6628 -20.6628 -20.6628 -20.6628 -6.3211 -6.3211 -6.3211 -6.3211 -5.5918 -5.5918 -5.5918 -5.5918 -5.4275 -5.4275 -5.4275 -5.4275 -5.3792 -5.3792 -5.3792 -5.3792 -4.6886 -4.6886 -4.6886 -4.6886 -4.6060 -4.6060 -4.6060 -4.6060 -3.2194 -3.2194 -3.2194 -3.2194 4.3166 4.3166 4.3166 4.3166 4.8471 4.8471 4.8471 4.8471 5.0296 5.0296 5.0296 5.0296 9.2780 9.2780 9.2780 9.2780 9.8809 9.8809 9.8809 9.8809 9.9261 9.9261 k = 0.0625 0.0361 0.3984 ( 4964 PWs) bands (ev): -21.5352 -21.5352 -21.5352 -21.5352 -20.6628 -20.6628 -20.6628 -20.6628 -6.3214 -6.3214 -6.3214 -6.3214 -5.5961 -5.5961 -5.5961 -5.5961 -5.4344 -5.4344 -5.4344 -5.4344 -5.3706 -5.3706 -5.3706 -5.3706 -4.6956 -4.6956 -4.6956 -4.6956 -4.5999 -4.5999 -4.5999 -4.5999 -3.2134 -3.2134 -3.2134 -3.2134 4.3064 4.3064 4.3064 4.3064 4.8413 4.8413 4.8413 4.8413 5.0493 5.0493 5.0493 5.0493 9.2914 9.2914 9.2914 9.2914 9.8808 9.8808 9.8808 9.8808 9.9276 9.9276 k = 0.0781 0.0451 0.3984 ( 4956 PWs) bands (ev): -21.5351 -21.5351 -21.5351 -21.5351 -20.6629 -20.6629 -20.6629 -20.6629 -6.3218 -6.3218 -6.3218 -6.3218 -5.6016 -5.6016 -5.6016 -5.6016 -5.4409 -5.4409 -5.4409 -5.4409 -5.3619 -5.3619 -5.3619 -5.3619 -4.7031 -4.7031 -4.7031 -4.7031 -4.5935 -4.5935 -4.5935 -4.5935 -3.2058 -3.2058 -3.2058 -3.2058 4.2939 4.2939 4.2939 4.2939 4.8367 4.8367 4.8367 4.8367 5.0711 5.0711 5.0711 5.0711 9.3087 9.3087 9.3087 9.3087 9.8800 9.8800 9.8800 9.8800 9.9301 9.9301 k = 0.0938 0.0541 0.3984 ( 4952 PWs) bands (ev): -21.5350 -21.5350 -21.5350 -21.5350 -20.6629 -20.6629 -20.6629 -20.6629 -6.3223 -6.3223 -6.3223 -6.3223 -5.6083 -5.6083 -5.6083 -5.6083 -5.4470 -5.4470 -5.4470 -5.4470 -5.3533 -5.3533 -5.3533 -5.3533 -4.7108 -4.7108 -4.7108 -4.7108 -4.5870 -4.5870 -4.5870 -4.5870 -3.1968 -3.1968 -3.1968 -3.1968 4.2794 4.2794 4.2794 4.2794 4.8338 4.8338 4.8338 4.8338 5.0940 5.0940 5.0940 5.0940 9.3296 9.3296 9.3296 9.3296 9.8780 9.8780 9.8780 9.8780 9.9340 9.9340 k = 0.1094 0.0631 0.3984 ( 4950 PWs) bands (ev): -21.5350 -21.5350 -21.5350 -21.5350 -20.6630 -20.6630 -20.6630 -20.6630 -6.3228 -6.3228 -6.3228 -6.3228 -5.6160 -5.6160 -5.6160 -5.6160 -5.4525 -5.4525 -5.4525 -5.4525 -5.3447 -5.3447 -5.3447 -5.3447 -4.7184 -4.7184 -4.7184 -4.7184 -4.5808 -4.5808 -4.5808 -4.5808 -3.1864 -3.1864 -3.1864 -3.1864 4.2636 4.2636 4.2636 4.2636 4.8327 4.8327 4.8327 4.8327 5.1171 5.1171 5.1171 5.1171 9.3542 9.3542 9.3542 9.3542 9.8744 9.8744 9.8744 9.8744 9.9395 9.9395 k = 0.1250 0.0722 0.3984 ( 4954 PWs) bands (ev): -21.5349 -21.5349 -21.5349 -21.5349 -20.6631 -20.6631 -20.6631 -20.6631 -6.3235 -6.3235 -6.3235 -6.3235 -5.6247 -5.6247 -5.6247 -5.6247 -5.4576 -5.4576 -5.4576 -5.4576 -5.3362 -5.3362 -5.3362 -5.3362 -4.7259 -4.7259 -4.7259 -4.7259 -4.5749 -4.5749 -4.5749 -4.5749 -3.1748 -3.1748 -3.1748 -3.1748 4.2468 4.2468 4.2468 4.2468 4.8336 4.8336 4.8336 4.8336 5.1400 5.1400 5.1400 5.1400 9.3824 9.3824 9.3824 9.3824 9.8690 9.8690 9.8690 9.8690 9.9466 9.9466 k = 0.1406 0.0812 0.3984 ( 4962 PWs) bands (ev): -21.5348 -21.5348 -21.5348 -21.5348 -20.6631 -20.6631 -20.6631 -20.6631 -6.3243 -6.3243 -6.3243 -6.3243 -5.6342 -5.6342 -5.6342 -5.6342 -5.4623 -5.4623 -5.4623 -5.4623 -5.3277 -5.3277 -5.3277 -5.3277 -4.7330 -4.7330 -4.7330 -4.7330 -4.5693 -4.5693 -4.5693 -4.5693 -3.1622 -3.1622 -3.1622 -3.1622 4.2295 4.2295 4.2295 4.2295 4.8362 4.8362 4.8362 4.8362 5.1621 5.1621 5.1621 5.1621 9.4140 9.4140 9.4140 9.4140 9.8617 9.8617 9.8617 9.8617 9.9553 9.9553 k = 0.1562 0.0902 0.3984 ( 4956 PWs) bands (ev): -21.5346 -21.5346 -21.5346 -21.5346 -20.6632 -20.6632 -20.6632 -20.6632 -6.3251 -6.3251 -6.3251 -6.3251 -5.6445 -5.6445 -5.6445 -5.6445 -5.4666 -5.4666 -5.4666 -5.4666 -5.3194 -5.3194 -5.3194 -5.3194 -4.7397 -4.7397 -4.7397 -4.7397 -4.5642 -4.5642 -4.5642 -4.5642 -3.1486 -3.1486 -3.1486 -3.1486 4.2120 4.2120 4.2120 4.2120 4.8405 4.8405 4.8405 4.8405 5.1831 5.1831 5.1831 5.1831 9.4488 9.4488 9.4488 9.4488 9.8525 9.8525 9.8525 9.8525 9.9656 9.9656 k = 0.1719 0.0992 0.3984 ( 4944 PWs) bands (ev): -21.5345 -21.5345 -21.5345 -21.5345 -20.6633 -20.6633 -20.6633 -20.6633 -6.3260 -6.3260 -6.3260 -6.3260 -5.6553 -5.6553 -5.6553 -5.6553 -5.4705 -5.4705 -5.4705 -5.4705 -5.3111 -5.3111 -5.3111 -5.3111 -4.7460 -4.7460 -4.7460 -4.7460 -4.5596 -4.5596 -4.5596 -4.5596 -3.1343 -3.1343 -3.1343 -3.1343 4.1949 4.1949 4.1949 4.1949 4.8462 4.8462 4.8462 4.8462 5.2028 5.2028 5.2028 5.2028 9.4865 9.4865 9.4865 9.4865 9.8417 9.8417 9.8417 9.8417 9.9774 9.9774 k = 0.1875 0.1083 0.3984 ( 4954 PWs) bands (ev): -21.5344 -21.5344 -21.5344 -21.5344 -20.6634 -20.6634 -20.6634 -20.6634 -6.3270 -6.3270 -6.3270 -6.3270 -5.6666 -5.6666 -5.6666 -5.6666 -5.4742 -5.4742 -5.4742 -5.4742 -5.3030 -5.3030 -5.3030 -5.3030 -4.7518 -4.7518 -4.7518 -4.7518 -4.5554 -4.5554 -4.5554 -4.5554 -3.1194 -3.1194 -3.1194 -3.1194 4.1783 4.1783 4.1783 4.1783 4.8531 4.8531 4.8531 4.8531 5.2209 5.2209 5.2209 5.2209 9.5264 9.5264 9.5264 9.5264 9.8296 9.8296 9.8296 9.8296 9.9905 9.9905 k = 0.2031 0.1173 0.3984 ( 4954 PWs) bands (ev): -21.5342 -21.5342 -21.5342 -21.5342 -20.6635 -20.6635 -20.6635 -20.6635 -6.3281 -6.3281 -6.3281 -6.3281 -5.6783 -5.6783 -5.6783 -5.6783 -5.4776 -5.4776 -5.4776 -5.4776 -5.2950 -5.2950 -5.2950 -5.2950 -4.7571 -4.7571 -4.7571 -4.7571 -4.5517 -4.5517 -4.5517 -4.5517 -3.1041 -3.1041 -3.1041 -3.1041 4.1625 4.1625 4.1625 4.1625 4.8609 4.8609 4.8609 4.8609 5.2373 5.2373 5.2373 5.2373 9.5672 9.5672 9.5672 9.5672 9.8172 9.8172 9.8172 9.8172 10.0051 10.0051 k = 0.2188 0.1263 0.3984 ( 4958 PWs) bands (ev): -21.5341 -21.5341 -21.5341 -21.5341 -20.6636 -20.6636 -20.6636 -20.6636 -6.3292 -6.3292 -6.3292 -6.3292 -5.6901 -5.6901 -5.6901 -5.6901 -5.4807 -5.4807 -5.4807 -5.4807 -5.2871 -5.2871 -5.2871 -5.2871 -4.7619 -4.7619 -4.7619 -4.7619 -4.5485 -4.5485 -4.5485 -4.5485 -3.0886 -3.0886 -3.0886 -3.0886 4.1479 4.1479 4.1479 4.1479 4.8695 4.8695 4.8695 4.8695 5.2519 5.2519 5.2519 5.2519 9.6063 9.6063 9.6063 9.6063 9.8072 9.8072 9.8072 9.8072 10.0209 10.0209 k = 0.2344 0.1353 0.3984 ( 4950 PWs) bands (ev): -21.5339 -21.5339 -21.5339 -21.5339 -20.6637 -20.6637 -20.6637 -20.6637 -6.3304 -6.3304 -6.3304 -6.3304 -5.7019 -5.7019 -5.7019 -5.7019 -5.4836 -5.4836 -5.4836 -5.4836 -5.2795 -5.2795 -5.2795 -5.2795 -4.7662 -4.7662 -4.7662 -4.7662 -4.5456 -4.5456 -4.5456 -4.5456 -3.0729 -3.0729 -3.0729 -3.0729 4.1344 4.1344 4.1344 4.1344 4.8786 4.8786 4.8786 4.8786 5.2647 5.2647 5.2647 5.2647 9.6377 9.6377 9.6377 9.6377 9.8053 9.8053 9.8053 9.8053 10.0380 10.0380 k = 0.2500 0.1443 0.3984 ( 4936 PWs) bands (ev): -21.5338 -21.5338 -21.5338 -21.5338 -20.6638 -20.6638 -20.6638 -20.6638 -6.3316 -6.3316 -6.3316 -6.3316 -5.7137 -5.7137 -5.7137 -5.7137 -5.4864 -5.4864 -5.4864 -5.4864 -5.2720 -5.2720 -5.2720 -5.2720 -4.7700 -4.7700 -4.7700 -4.7700 -4.5432 -4.5432 -4.5432 -4.5432 -3.0574 -3.0574 -3.0574 -3.0574 4.1223 4.1223 4.1223 4.1223 4.8880 4.8880 4.8880 4.8880 5.2758 5.2758 5.2758 5.2758 9.6521 9.6521 9.6521 9.6521 9.8205 9.8205 9.8205 9.8205 10.0562 10.0562 k = 0.2656 0.1534 0.3984 ( 4948 PWs) bands (ev): -21.5336 -21.5336 -21.5336 -21.5336 -20.6639 -20.6639 -20.6639 -20.6639 -6.3329 -6.3329 -6.3329 -6.3329 -5.7252 -5.7252 -5.7252 -5.7252 -5.4890 -5.4890 -5.4890 -5.4890 -5.2648 -5.2648 -5.2648 -5.2648 -4.7733 -4.7733 -4.7733 -4.7733 -4.5412 -4.5412 -4.5412 -4.5412 -3.0420 -3.0420 -3.0420 -3.0420 4.1116 4.1116 4.1116 4.1116 4.8974 4.8974 4.8974 4.8974 5.2852 5.2852 5.2852 5.2852 9.6468 9.6468 9.6468 9.6468 9.8557 9.8557 9.8557 9.8557 10.0757 10.0757 k = 0.2812 0.1624 0.3984 ( 4936 PWs) bands (ev): -21.5335 -21.5335 -21.5335 -21.5335 -20.6640 -20.6640 -20.6640 -20.6640 -6.3341 -6.3341 -6.3341 -6.3341 -5.7365 -5.7365 -5.7365 -5.7365 -5.4914 -5.4914 -5.4914 -5.4914 -5.2579 -5.2579 -5.2579 -5.2579 -4.7762 -4.7762 -4.7762 -4.7762 -4.5395 -4.5395 -4.5395 -4.5395 -3.0270 -3.0270 -3.0270 -3.0270 4.1023 4.1023 4.1023 4.1023 4.9067 4.9067 4.9067 4.9067 5.2931 5.2931 5.2931 5.2931 9.6283 9.6283 9.6283 9.6283 9.9039 9.9039 9.9039 9.9039 10.0962 10.0962 k = 0.2969 0.1714 0.3984 ( 4942 PWs) bands (ev): -21.5333 -21.5333 -21.5333 -21.5333 -20.6641 -20.6641 -20.6641 -20.6641 -6.3354 -6.3354 -6.3354 -6.3354 -5.7474 -5.7474 -5.7474 -5.7474 -5.4936 -5.4936 -5.4936 -5.4936 -5.2513 -5.2513 -5.2513 -5.2513 -4.7787 -4.7787 -4.7787 -4.7787 -4.5381 -4.5381 -4.5381 -4.5381 -3.0125 -3.0125 -3.0125 -3.0125 4.0945 4.0945 4.0945 4.0945 4.9156 4.9156 4.9156 4.9156 5.2995 5.2995 5.2995 5.2995 9.6028 9.6028 9.6028 9.6028 9.9588 9.9588 9.9588 9.9588 10.1176 10.1176 k = 0.3125 0.1804 0.3984 ( 4944 PWs) bands (ev): -21.5332 -21.5332 -21.5332 -21.5332 -20.6642 -20.6642 -20.6642 -20.6642 -6.3368 -6.3368 -6.3368 -6.3368 -5.7578 -5.7578 -5.7578 -5.7578 -5.4957 -5.4957 -5.4957 -5.4957 -5.2450 -5.2450 -5.2450 -5.2450 -4.7809 -4.7809 -4.7809 -4.7809 -4.5370 -4.5370 -4.5370 -4.5370 -2.9986 -2.9986 -2.9986 -2.9986 4.0881 4.0881 4.0881 4.0881 4.9241 4.9241 4.9241 4.9241 5.3048 5.3048 5.3048 5.3048 9.5737 9.5737 9.5737 9.5737 10.0166 10.0166 10.0166 10.0166 10.1400 10.1400 k = 0.3281 0.1894 0.3984 ( 4956 PWs) bands (ev): -21.5331 -21.5331 -21.5331 -21.5331 -20.6643 -20.6643 -20.6643 -20.6643 -6.3381 -6.3381 -6.3381 -6.3381 -5.7676 -5.7676 -5.7676 -5.7676 -5.4977 -5.4977 -5.4977 -5.4977 -5.2390 -5.2390 -5.2390 -5.2390 -4.7827 -4.7827 -4.7827 -4.7827 -4.5361 -4.5361 -4.5361 -4.5361 -2.9855 -2.9855 -2.9855 -2.9855 4.0829 4.0829 4.0829 4.0829 4.9318 4.9318 4.9318 4.9318 5.3090 5.3090 5.3090 5.3090 9.5428 9.5428 9.5428 9.5428 10.0750 10.0750 10.0750 10.0750 10.1630 10.1630 k = 0.3438 0.1985 0.3984 ( 4960 PWs) bands (ev): -21.5329 -21.5329 -21.5329 -21.5329 -20.6644 -20.6644 -20.6644 -20.6644 -6.3393 -6.3393 -6.3393 -6.3393 -5.7768 -5.7768 -5.7768 -5.7768 -5.4995 -5.4995 -5.4995 -5.4995 -5.2335 -5.2335 -5.2335 -5.2335 -4.7842 -4.7842 -4.7842 -4.7842 -4.5355 -4.5355 -4.5355 -4.5355 -2.9732 -2.9732 -2.9732 -2.9732 4.0790 4.0790 4.0790 4.0790 4.9388 4.9388 4.9388 4.9388 5.3123 5.3123 5.3123 5.3123 9.5113 9.5113 9.5113 9.5113 10.1318 10.1318 10.1318 10.1318 10.1868 10.1868 k = 0.3594 0.2075 0.3984 ( 4958 PWs) bands (ev): -21.5328 -21.5328 -21.5328 -21.5328 -20.6644 -20.6644 -20.6644 -20.6644 -6.3405 -6.3405 -6.3405 -6.3405 -5.7852 -5.7852 -5.7852 -5.7852 -5.5012 -5.5012 -5.5012 -5.5012 -5.2283 -5.2283 -5.2283 -5.2283 -4.7854 -4.7854 -4.7854 -4.7854 -4.5350 -4.5350 -4.5350 -4.5350 -2.9617 -2.9617 -2.9617 -2.9617 4.0761 4.0761 4.0761 4.0761 4.9450 4.9450 4.9450 4.9450 5.3150 5.3150 5.3150 5.3150 9.4803 9.4803 9.4803 9.4803 10.1844 10.1844 10.1844 10.1844 10.2117 10.2117 k = 0.3750 0.2165 0.3984 ( 4942 PWs) bands (ev): -21.5327 -21.5327 -21.5327 -21.5327 -20.6645 -20.6645 -20.6645 -20.6645 -6.3416 -6.3416 -6.3416 -6.3416 -5.7930 -5.7930 -5.7930 -5.7930 -5.5026 -5.5026 -5.5026 -5.5026 -5.2236 -5.2236 -5.2236 -5.2236 -4.7864 -4.7864 -4.7864 -4.7864 -4.5346 -4.5346 -4.5346 -4.5346 -2.9513 -2.9513 -2.9513 -2.9513 4.0742 4.0742 4.0742 4.0742 4.9503 4.9503 4.9503 4.9503 5.3171 5.3171 5.3171 5.3171 9.4504 9.4504 9.4504 9.4504 10.2261 10.2261 10.2261 10.2261 10.2422 10.2422 k = 0.3906 0.2255 0.3984 ( 4954 PWs) bands (ev): -21.5326 -21.5326 -21.5326 -21.5326 -20.6646 -20.6646 -20.6646 -20.6646 -6.3427 -6.3427 -6.3427 -6.3427 -5.7999 -5.7999 -5.7999 -5.7999 -5.5040 -5.5040 -5.5040 -5.5040 -5.2194 -5.2194 -5.2194 -5.2194 -4.7873 -4.7873 -4.7873 -4.7873 -4.5344 -4.5344 -4.5344 -4.5344 -2.9420 -2.9420 -2.9420 -2.9420 4.0730 4.0730 4.0730 4.0730 4.9546 4.9546 4.9546 4.9546 5.3189 5.3189 5.3189 5.3189 9.4225 9.4225 9.4225 9.4225 10.2530 10.2530 10.2530 10.2530 10.2805 10.2805 k = 0.4062 0.2345 0.3984 ( 4958 PWs) bands (ev): -21.5325 -21.5325 -21.5325 -21.5325 -20.6646 -20.6646 -20.6646 -20.6646 -6.3437 -6.3437 -6.3437 -6.3437 -5.8059 -5.8059 -5.8059 -5.8059 -5.5051 -5.5051 -5.5051 -5.5051 -5.2157 -5.2157 -5.2157 -5.2157 -4.7879 -4.7879 -4.7879 -4.7879 -4.5343 -4.5343 -4.5343 -4.5343 -2.9338 -2.9338 -2.9338 -2.9338 4.0725 4.0725 4.0725 4.0725 4.9581 4.9581 4.9581 4.9581 5.3203 5.3203 5.3203 5.3203 9.3970 9.3970 9.3970 9.3970 10.2757 10.2757 10.2757 10.2757 10.3145 10.3145 k = 0.4219 0.2436 0.3984 ( 4954 PWs) bands (ev): -21.5324 -21.5324 -21.5324 -21.5324 -20.6647 -20.6647 -20.6647 -20.6647 -6.3445 -6.3445 -6.3445 -6.3445 -5.8111 -5.8111 -5.8111 -5.8111 -5.5061 -5.5061 -5.5061 -5.5061 -5.2125 -5.2125 -5.2125 -5.2125 -4.7884 -4.7884 -4.7884 -4.7884 -4.5342 -4.5342 -4.5342 -4.5342 -2.9267 -2.9267 -2.9267 -2.9267 4.0723 4.0723 4.0723 4.0723 4.9608 4.9608 4.9608 4.9608 5.3215 5.3215 5.3215 5.3215 9.3746 9.3746 9.3746 9.3746 10.2963 10.2963 10.2963 10.2963 10.3416 10.3416 k = 0.4375 0.2526 0.3984 ( 4964 PWs) bands (ev): -21.5324 -21.5324 -21.5324 -21.5324 -20.6647 -20.6647 -20.6647 -20.6647 -6.3452 -6.3452 -6.3452 -6.3452 -5.8154 -5.8154 -5.8154 -5.8154 -5.5069 -5.5069 -5.5069 -5.5069 -5.2099 -5.2099 -5.2099 -5.2099 -4.7888 -4.7888 -4.7888 -4.7888 -4.5341 -4.5341 -4.5341 -4.5341 -2.9209 -2.9209 -2.9209 -2.9209 4.0725 4.0725 4.0725 4.0725 4.9629 4.9629 4.9629 4.9629 5.3224 5.3224 5.3224 5.3224 9.3557 9.3557 9.3557 9.3557 10.3145 10.3145 10.3145 10.3145 10.3620 10.3620 k = 0.4531 0.2616 0.3984 ( 4968 PWs) bands (ev): -21.5323 -21.5323 -21.5323 -21.5323 -20.6648 -20.6648 -20.6648 -20.6648 -6.3458 -6.3458 -6.3458 -6.3458 -5.8187 -5.8187 -5.8187 -5.8187 -5.5076 -5.5076 -5.5076 -5.5076 -5.2079 -5.2079 -5.2079 -5.2079 -4.7891 -4.7891 -4.7891 -4.7891 -4.5341 -4.5341 -4.5341 -4.5341 -2.9164 -2.9164 -2.9164 -2.9164 4.0728 4.0728 4.0728 4.0728 4.9643 4.9643 4.9643 4.9643 5.3232 5.3232 5.3232 5.3232 9.3406 9.3406 9.3406 9.3406 10.3297 10.3297 10.3297 10.3297 10.3765 10.3765 k = 0.4688 0.2706 0.3984 ( 4964 PWs) bands (ev): -21.5323 -21.5323 -21.5323 -21.5323 -20.6648 -20.6648 -20.6648 -20.6648 -6.3462 -6.3462 -6.3462 -6.3462 -5.8211 -5.8211 -5.8211 -5.8211 -5.5080 -5.5080 -5.5080 -5.5080 -5.2064 -5.2064 -5.2064 -5.2064 -4.7892 -4.7892 -4.7892 -4.7892 -4.5341 -4.5341 -4.5341 -4.5341 -2.9131 -2.9131 -2.9131 -2.9131 4.0731 4.0731 4.0731 4.0731 4.9652 4.9652 4.9652 4.9652 5.3237 5.3237 5.3237 5.3237 9.3296 9.3296 9.3296 9.3296 10.3412 10.3412 10.3412 10.3412 10.3860 10.3860 k = 0.4844 0.2797 0.3984 ( 4956 PWs) bands (ev): -21.5323 -21.5323 -21.5323 -21.5323 -20.6648 -20.6648 -20.6648 -20.6648 -6.3465 -6.3465 -6.3465 -6.3465 -5.8226 -5.8226 -5.8226 -5.8226 -5.5083 -5.5083 -5.5083 -5.5083 -5.2055 -5.2055 -5.2055 -5.2055 -4.7893 -4.7893 -4.7893 -4.7893 -4.5341 -4.5341 -4.5341 -4.5341 -2.9111 -2.9111 -2.9111 -2.9111 4.0733 4.0733 4.0733 4.0733 4.9658 4.9658 4.9658 4.9658 5.3241 5.3241 5.3241 5.3241 9.3229 9.3229 9.3229 9.3229 10.3485 10.3485 10.3485 10.3485 10.3914 10.3914 k = 0.5000 0.2887 0.3984 ( 4968 PWs) bands (ev): -21.5323 -21.5323 -21.5323 -21.5323 -20.6648 -20.6648 -20.6648 -20.6648 -6.3465 -6.3465 -6.3465 -6.3465 -5.8231 -5.8231 -5.8231 -5.8231 -5.5084 -5.5084 -5.5084 -5.5084 -5.2052 -5.2052 -5.2052 -5.2052 -4.7894 -4.7894 -4.7894 -4.7894 -4.5341 -4.5341 -4.5341 -4.5341 -2.9105 -2.9105 -2.9105 -2.9105 4.0734 4.0734 4.0734 4.0734 4.9659 4.9659 4.9659 4.9659 5.3242 5.3242 5.3242 5.3242 9.3206 9.3206 9.3206 9.3206 10.3509 10.3509 10.3509 10.3509 10.3931 10.3931 k = 0.5000 0.2887 0.3984 ( 4968 PWs) bands (ev): -21.5323 -21.5323 -21.5323 -21.5323 -20.6648 -20.6648 -20.6648 -20.6648 -6.3465 -6.3465 -6.3465 -6.3465 -5.8231 -5.8231 -5.8231 -5.8231 -5.5084 -5.5084 -5.5084 -5.5084 -5.2052 -5.2052 -5.2052 -5.2052 -4.7894 -4.7894 -4.7894 -4.7894 -4.5341 -4.5341 -4.5341 -4.5341 -2.9105 -2.9105 -2.9105 -2.9105 4.0734 4.0734 4.0734 4.0734 4.9659 4.9659 4.9659 4.9659 5.3242 5.3242 5.3242 5.3242 9.3206 9.3206 9.3206 9.3206 10.3509 10.3509 10.3509 10.3509 10.3931 10.3931 k = 0.4912 0.3039 0.3984 ( 4960 PWs) bands (ev): -21.5323 -21.5323 -21.5323 -21.5323 -20.6648 -20.6648 -20.6648 -20.6648 -6.3497 -6.3497 -6.3434 -6.3434 -5.8294 -5.8294 -5.8174 -5.8174 -5.5130 -5.5130 -5.5030 -5.5030 -5.2091 -5.2091 -5.2017 -5.2017 -4.7953 -4.7953 -4.7831 -4.7831 -4.5352 -4.5352 -4.5335 -4.5335 -2.9137 -2.9137 -2.9069 -2.9069 4.0688 4.0688 4.0795 4.0795 4.9609 4.9609 4.9701 4.9701 5.3235 5.3235 5.3236 5.3236 9.3196 9.3196 9.3245 9.3245 10.3468 10.3468 10.3468 10.3468 10.3949 10.3949 k = 0.4825 0.3191 0.3984 ( 4962 PWs) bands (ev): -21.5323 -21.5323 -21.5323 -21.5323 -20.6648 -20.6648 -20.6648 -20.6648 -6.3529 -6.3529 -6.3404 -6.3404 -5.8362 -5.8362 -5.8124 -5.8124 -5.5168 -5.5168 -5.4968 -5.4968 -5.2132 -5.2132 -5.1985 -5.1985 -4.8007 -4.8007 -4.7763 -4.7763 -4.5367 -4.5367 -4.5333 -4.5333 -2.9166 -2.9166 -2.9031 -2.9031 4.0658 4.0658 4.0873 4.0873 4.9549 4.9549 4.9736 4.9736 5.3214 5.3214 5.3218 5.3218 9.3212 9.3212 9.3310 9.3310 10.3363 10.3363 10.3376 10.3376 10.4020 10.4020 k = 0.4737 0.3343 0.3984 ( 4966 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -20.6648 -20.6648 -20.6648 -20.6648 -6.3561 -6.3561 -6.3375 -6.3375 -5.8436 -5.8436 -5.8082 -5.8082 -5.5198 -5.5198 -5.4897 -5.4897 -5.2178 -5.2178 -5.1957 -5.1957 -4.8057 -4.8057 -4.7692 -4.7692 -4.5384 -4.5384 -4.5336 -4.5336 -2.9191 -2.9191 -2.8990 -2.8990 4.0642 4.0642 4.0966 4.0966 4.9479 4.9479 4.9766 4.9766 5.3179 5.3179 5.3189 5.3189 9.3254 9.3254 9.3402 9.3402 10.3229 10.3229 10.3261 10.3261 10.4113 10.4113 k = 0.4649 0.3494 0.3984 ( 4966 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -20.6648 -20.6648 -20.6648 -20.6648 -6.3594 -6.3594 -6.3346 -6.3346 -5.8513 -5.8513 -5.8047 -5.8047 -5.5221 -5.5221 -5.4820 -5.4820 -5.2226 -5.2226 -5.1932 -5.1932 -4.8103 -4.8103 -4.7616 -4.7616 -4.5404 -4.5404 -4.5344 -4.5344 -2.9213 -2.9213 -2.8948 -2.8948 4.0641 4.0641 4.1075 4.1075 4.9398 4.9398 4.9791 4.9791 5.3129 5.3129 5.3151 5.3151 9.3321 9.3321 9.3519 9.3519 10.3081 10.3081 10.3136 10.3136 10.4216 10.4216 k = 0.4561 0.3646 0.3984 ( 4962 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -20.6649 -20.6649 -20.6648 -20.6648 -6.3625 -6.3625 -6.3319 -6.3319 -5.8593 -5.8593 -5.8019 -5.8019 -5.5238 -5.5238 -5.4736 -5.4736 -5.2276 -5.2276 -5.1910 -5.1910 -4.8145 -4.8145 -4.7537 -4.7537 -4.5427 -4.5427 -4.5357 -4.5357 -2.9231 -2.9231 -2.8904 -2.8904 4.0652 4.0652 4.1199 4.1199 4.9305 4.9305 4.9814 4.9814 5.3064 5.3064 5.3104 5.3104 9.3409 9.3409 9.3658 9.3658 10.2929 10.2929 10.3006 10.3006 10.4326 10.4326 k = 0.4474 0.3798 0.3984 ( 4966 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -20.6649 -20.6649 -20.6649 -20.6649 -6.3656 -6.3656 -6.3294 -6.3294 -5.8675 -5.8675 -5.7997 -5.7997 -5.5250 -5.5250 -5.4647 -5.4647 -5.2330 -5.2330 -5.1891 -5.1891 -4.8182 -4.8182 -4.7454 -4.7454 -4.5451 -4.5451 -4.5376 -4.5376 -2.9245 -2.9245 -2.8859 -2.8859 4.0675 4.0675 4.1336 4.1336 4.9202 4.9202 4.9837 4.9837 5.2985 5.2985 5.3052 5.3052 9.3515 9.3515 9.3818 9.3818 10.2775 10.2775 10.2877 10.2877 10.4442 10.4442 k = 0.4386 0.3950 0.3984 ( 4972 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -20.6649 -20.6649 -20.6649 -20.6649 -6.3687 -6.3687 -6.3270 -6.3270 -5.8756 -5.8756 -5.7980 -5.7980 -5.5257 -5.5257 -5.4554 -5.4554 -5.2385 -5.2385 -5.1876 -5.1876 -4.8216 -4.8216 -4.7369 -4.7369 -4.5476 -4.5476 -4.5401 -4.5401 -2.9256 -2.9256 -2.8813 -2.8813 4.0708 4.0708 4.1486 4.1486 4.9089 4.9089 4.9861 4.9861 5.2891 5.2891 5.2995 5.2995 9.3637 9.3637 9.3993 9.3993 10.2625 10.2625 10.2750 10.2750 10.4565 10.4565 k = 0.4298 0.4102 0.3984 ( 4976 PWs) bands (ev): -21.5321 -21.5321 -21.5321 -21.5321 -20.6649 -20.6649 -20.6649 -20.6649 -6.3716 -6.3716 -6.3248 -6.3248 -5.8836 -5.8836 -5.7969 -5.7969 -5.5261 -5.5261 -5.4458 -5.4458 -5.2442 -5.2442 -5.1862 -5.1862 -4.8245 -4.8245 -4.7280 -4.7280 -4.5501 -4.5501 -4.5432 -4.5432 -2.9263 -2.9263 -2.8767 -2.8767 4.0749 4.0749 4.1645 4.1645 4.8966 4.8966 4.9889 4.9889 5.2784 5.2784 5.2934 5.2934 9.3769 9.3769 9.4181 9.4181 10.2481 10.2481 10.2629 10.2629 10.4698 10.4698 k = 0.4211 0.4254 0.3984 ( 4968 PWs) bands (ev): -21.5321 -21.5321 -21.5321 -21.5321 -20.6649 -20.6649 -20.6649 -20.6649 -6.3744 -6.3744 -6.3227 -6.3227 -5.8913 -5.8913 -5.7962 -5.7962 -5.5262 -5.5262 -5.4362 -5.4362 -5.2499 -5.2499 -5.1852 -5.1852 -4.8271 -4.8271 -4.7190 -4.7190 -4.5527 -4.5527 -4.5468 -4.5468 -2.9267 -2.9267 -2.8723 -2.8723 4.0796 4.0796 4.1813 4.1813 4.8835 4.8835 4.9922 4.9922 5.2666 5.2666 5.2872 5.2872 9.3907 9.3907 9.4376 9.4376 10.2346 10.2346 10.2517 10.2517 10.4842 10.4842 k = 0.4123 0.4406 0.3984 ( 4964 PWs) bands (ev): -21.5321 -21.5321 -21.5321 -21.5321 -20.6650 -20.6650 -20.6649 -20.6649 -6.3770 -6.3770 -6.3209 -6.3209 -5.8986 -5.8986 -5.7959 -5.7959 -5.5261 -5.5261 -5.4266 -5.4266 -5.2557 -5.2557 -5.1843 -5.1843 -4.8294 -4.8294 -4.7098 -4.7098 -4.5552 -4.5552 -4.5510 -4.5510 -2.9268 -2.9268 -2.8679 -2.8679 4.0848 4.0848 4.1986 4.1986 4.8698 4.8698 4.9961 4.9961 5.2537 5.2537 5.2811 5.2811 9.4047 9.4047 9.4572 9.4572 10.2223 10.2223 10.2413 10.2413 10.4999 10.4999 k = 0.4035 0.4558 0.3984 ( 4964 PWs) bands (ev): -21.5320 -21.5320 -21.5320 -21.5320 -20.6650 -20.6650 -20.6649 -20.6649 -6.3794 -6.3794 -6.3192 -6.3192 -5.9055 -5.9055 -5.7958 -5.7958 -5.5258 -5.5258 -5.4172 -5.4172 -5.2614 -5.2614 -5.1835 -5.1835 -4.8313 -4.8313 -4.7006 -4.7006 -4.5575 -4.5575 -4.5557 -4.5557 -2.9267 -2.9267 -2.8638 -2.8638 4.0901 4.0901 4.2161 4.2161 4.8558 4.8558 5.0007 5.0007 5.2399 5.2399 5.2751 5.2751 9.4183 9.4183 9.4764 9.4764 10.2113 10.2113 10.2321 10.2321 10.5172 10.5172 k = 0.3947 0.4710 0.3984 ( 4960 PWs) bands (ev): -21.5320 -21.5320 -21.5320 -21.5320 -20.6650 -20.6650 -20.6650 -20.6650 -6.3816 -6.3816 -6.3178 -6.3178 -5.9119 -5.9119 -5.7960 -5.7960 -5.5255 -5.5255 -5.4083 -5.4083 -5.2670 -5.2670 -5.1830 -5.1830 -4.8329 -4.8329 -4.6913 -4.6913 -4.5609 -4.5609 -4.5597 -4.5597 -2.9263 -2.9263 -2.8599 -2.8599 4.0955 4.0955 4.2335 4.2335 4.8417 4.8417 5.0063 5.0063 5.2255 5.2255 5.2695 5.2695 9.4311 9.4311 9.4946 9.4946 10.2019 10.2019 10.2242 10.2242 10.5362 10.5362 k = 0.3860 0.4862 0.3984 ( 4956 PWs) bands (ev): -21.5320 -21.5320 -21.5320 -21.5320 -20.6650 -20.6650 -20.6650 -20.6650 -6.3836 -6.3836 -6.3165 -6.3165 -5.9175 -5.9175 -5.7963 -5.7963 -5.5251 -5.5251 -5.3999 -5.3999 -5.2723 -5.2723 -5.1825 -5.1825 -4.8342 -4.8342 -4.6821 -4.6821 -4.5664 -4.5664 -4.5617 -4.5617 -2.9258 -2.9258 -2.8563 -2.8563 4.1006 4.1006 4.2502 4.2502 4.8280 4.8280 5.0127 5.0127 5.2108 5.2108 5.2643 5.2643 9.4425 9.4425 9.5113 9.5113 10.1940 10.1940 10.2175 10.2175 10.5570 10.5570 k = 0.3772 0.5014 0.3984 ( 4956 PWs) bands (ev): -21.5320 -21.5320 -21.5320 -21.5320 -20.6650 -20.6650 -20.6650 -20.6650 -6.3853 -6.3853 -6.3155 -6.3155 -5.9225 -5.9225 -5.7967 -5.7967 -5.5247 -5.5247 -5.3923 -5.3923 -5.2772 -5.2772 -5.1822 -5.1822 -4.8353 -4.8353 -4.6732 -4.6732 -4.5723 -4.5723 -4.5635 -4.5635 -2.9252 -2.9252 -2.8531 -2.8531 4.1053 4.1053 4.2657 4.2657 4.8151 4.8151 5.0199 5.0199 5.1960 5.1960 5.2597 5.2597 9.4524 9.4524 9.5258 9.5258 10.1878 10.1878 10.2122 10.2122 10.5797 10.5798 k = 0.3684 0.5166 0.3984 ( 4968 PWs) bands (ev): -21.5319 -21.5319 -21.5319 -21.5319 -20.6650 -20.6650 -20.6650 -20.6650 -6.3867 -6.3867 -6.3147 -6.3147 -5.9266 -5.9266 -5.7972 -5.7972 -5.5244 -5.5244 -5.3858 -5.3858 -5.2815 -5.2815 -5.1819 -5.1819 -4.8361 -4.8361 -4.6648 -4.6648 -4.5782 -4.5782 -4.5650 -4.5650 -2.9246 -2.9246 -2.8504 -2.8504 4.1094 4.1094 4.2796 4.2796 4.8036 4.8036 5.0277 5.0277 5.1818 5.1818 5.2558 5.2558 9.4604 9.4604 9.5379 9.5379 10.1831 10.1831 10.2081 10.2081 10.6043 10.6054 k = 0.3596 0.5318 0.3984 ( 4972 PWs) bands (ev): -21.5319 -21.5319 -21.5319 -21.5319 -20.6651 -20.6651 -20.6650 -20.6650 -6.3878 -6.3878 -6.3141 -6.3141 -5.9299 -5.9299 -5.7976 -5.7976 -5.5241 -5.5241 -5.3805 -5.3805 -5.2851 -5.2851 -5.1817 -5.1817 -4.8367 -4.8367 -4.6571 -4.6571 -4.5840 -4.5840 -4.5661 -4.5661 -2.9240 -2.9240 -2.8481 -2.8481 4.1128 4.1128 4.2911 4.2911 4.7938 4.7938 5.0357 5.0357 5.1686 5.1686 5.2527 5.2527 9.4664 9.4664 9.5473 9.5473 10.1799 10.1799 10.2053 10.2053 10.6300 10.6303 k = 0.3509 0.5470 0.3984 ( 4984 PWs) bands (ev): -21.5319 -21.5319 -21.5319 -21.5319 -20.6651 -20.6651 -20.6651 -20.6651 -6.3887 -6.3887 -6.3136 -6.3136 -5.9323 -5.9323 -5.7980 -5.7980 -5.5239 -5.5239 -5.3766 -5.3766 -5.2877 -5.2877 -5.1816 -5.1816 -4.8372 -4.8372 -4.6506 -4.6506 -4.5891 -4.5891 -4.5670 -4.5670 -2.9235 -2.9235 -2.8465 -2.8465 4.1153 4.1153 4.2999 4.2999 4.7865 4.7865 5.0430 5.0430 5.1574 5.1574 5.2505 5.2505 9.4704 9.4704 9.5538 9.5538 10.1780 10.1780 10.2036 10.2036 10.6562 10.6569 k = 0.3421 0.5622 0.3984 ( 4978 PWs) bands (ev): -21.5319 -21.5319 -21.5319 -21.5319 -20.6651 -20.6651 -20.6651 -20.6651 -6.3892 -6.3892 -6.3134 -6.3134 -5.9338 -5.9338 -5.7982 -5.7982 -5.5238 -5.5238 -5.3743 -5.3743 -5.2892 -5.2892 -5.1815 -5.1815 -4.8374 -4.8374 -4.6460 -4.6460 -4.5929 -4.5929 -4.5675 -4.5675 -2.9231 -2.9231 -2.8454 -2.8454 4.1168 4.1168 4.3053 4.3053 4.7819 4.7819 5.0485 5.0485 5.1497 5.1497 5.2491 5.2491 9.4726 9.4726 9.5575 9.5575 10.1771 10.1771 10.2028 10.2028 10.6798 10.6799 k = 0.3333 0.5774 0.3984 ( 4992 PWs) bands (ev): -21.5319 -21.5319 -21.5319 -21.5319 -20.6651 -20.6651 -20.6651 -20.6651 -6.3894 -6.3894 -6.3133 -6.3133 -5.9343 -5.9343 -5.7983 -5.7983 -5.5238 -5.5238 -5.3736 -5.3736 -5.2897 -5.2897 -5.1814 -5.1814 -4.8375 -4.8375 -4.6443 -4.6443 -4.5943 -4.5943 -4.5677 -4.5677 -2.9230 -2.9230 -2.8451 -2.8451 4.1173 4.1173 4.3071 4.3071 4.7804 4.7804 5.0506 5.0506 5.1468 5.1468 5.2487 5.2487 9.4733 9.4733 9.5587 9.5587 10.1768 10.1768 10.2026 10.2026 10.6912 10.6913 k = 0.3333 0.5774 0.3984 ( 4992 PWs) bands (ev): -21.5319 -21.5319 -21.5319 -21.5319 -20.6651 -20.6651 -20.6651 -20.6651 -6.3894 -6.3894 -6.3133 -6.3133 -5.9343 -5.9343 -5.7983 -5.7983 -5.5238 -5.5238 -5.3736 -5.3736 -5.2897 -5.2897 -5.1814 -5.1814 -4.8375 -4.8375 -4.6443 -4.6443 -4.5943 -4.5943 -4.5677 -4.5677 -2.9230 -2.9230 -2.8451 -2.8451 4.1173 4.1173 4.3071 4.3071 4.7804 4.7804 5.0506 5.0506 5.1468 5.1468 5.2487 5.2487 9.4733 9.4733 9.5587 9.5587 10.1768 10.1768 10.2026 10.2026 10.6913 10.6913 k = 0.3243 0.5617 0.3984 ( 4980 PWs) bands (ev): -21.5319 -21.5319 -21.5319 -21.5319 -20.6651 -20.6651 -20.6651 -20.6651 -6.3892 -6.3892 -6.3134 -6.3134 -5.9338 -5.9338 -5.7982 -5.7982 -5.5238 -5.5238 -5.3743 -5.3743 -5.2892 -5.2892 -5.1815 -5.1815 -4.8374 -4.8374 -4.6461 -4.6461 -4.5928 -4.5928 -4.5675 -4.5675 -2.9232 -2.9232 -2.8455 -2.8455 4.1168 4.1168 4.3052 4.3052 4.7820 4.7820 5.0483 5.0483 5.1498 5.1498 5.2491 5.2491 9.4727 9.4727 9.5576 9.5576 10.1770 10.1770 10.2027 10.2027 10.6790 10.6791 k = 0.3153 0.5461 0.3984 ( 4968 PWs) bands (ev): -21.5319 -21.5319 -21.5319 -21.5319 -20.6651 -20.6651 -20.6650 -20.6650 -6.3886 -6.3886 -6.3136 -6.3136 -5.9322 -5.9322 -5.7978 -5.7978 -5.5239 -5.5239 -5.3762 -5.3762 -5.2881 -5.2881 -5.1816 -5.1816 -4.8371 -4.8371 -4.6507 -4.6507 -4.5889 -4.5889 -4.5670 -4.5670 -2.9237 -2.9237 -2.8467 -2.8467 4.1152 4.1152 4.2997 4.2997 4.7865 4.7865 5.0422 5.0422 5.1582 5.1582 5.2505 5.2505 9.4714 9.4714 9.5548 9.5548 10.1770 10.1770 10.2026 10.2026 10.6533 10.6535 k = 0.3063 0.5305 0.3984 ( 4972 PWs) bands (ev): -21.5319 -21.5319 -21.5319 -21.5319 -20.6651 -20.6651 -20.6650 -20.6650 -6.3877 -6.3877 -6.3140 -6.3140 -5.9295 -5.9295 -5.7972 -5.7972 -5.5241 -5.5241 -5.3791 -5.3791 -5.2866 -5.2866 -5.1819 -5.1819 -4.8367 -4.8367 -4.6573 -4.6573 -4.5838 -4.5838 -4.5662 -4.5662 -2.9247 -2.9247 -2.8488 -2.8488 4.1127 4.1127 4.2909 4.2909 4.7937 4.7937 5.0338 5.0338 5.1703 5.1703 5.2527 5.2527 9.4698 9.4698 9.5507 9.5507 10.1766 10.1766 10.2020 10.2020 10.6239 10.6240 k = 0.2973 0.5149 0.3984 ( 4972 PWs) bands (ev): -21.5320 -21.5320 -21.5320 -21.5320 -20.6650 -20.6650 -20.6650 -20.6650 -6.3865 -6.3865 -6.3144 -6.3144 -5.9258 -5.9258 -5.7962 -5.7962 -5.5243 -5.5243 -5.3826 -5.3826 -5.2850 -5.2850 -5.1823 -5.1823 -4.8360 -4.8360 -4.6649 -4.6649 -4.5780 -4.5780 -4.5651 -4.5651 -2.9263 -2.9263 -2.8518 -2.8518 4.1093 4.1093 4.2796 4.2796 4.8028 4.8028 5.0243 5.0243 5.1845 5.1845 5.2557 5.2557 9.4684 9.4684 9.5462 9.5462 10.1753 10.1753 10.2002 10.2002 10.5934 10.5934 k = 0.2883 0.4993 0.3984 ( 4970 PWs) bands (ev): -21.5320 -21.5320 -21.5320 -21.5320 -20.6650 -20.6650 -20.6650 -20.6650 -6.3850 -6.3850 -6.3150 -6.3150 -5.9210 -5.9210 -5.7949 -5.7949 -5.5245 -5.5245 -5.3865 -5.3865 -5.2835 -5.2835 -5.1829 -5.1829 -4.8351 -4.8351 -4.6731 -4.6731 -4.5721 -4.5721 -4.5639 -4.5639 -2.9284 -2.9284 -2.8558 -2.8558 4.1053 4.1053 4.2662 4.2662 4.8133 4.8133 5.0145 5.0145 5.1998 5.1998 5.2593 5.2593 9.4677 9.4677 9.5417 9.5417 10.1725 10.1725 10.1967 10.1967 10.5628 10.5628 k = 0.2793 0.4837 0.3984 ( 4966 PWs) bands (ev): -21.5320 -21.5320 -21.5320 -21.5320 -20.6650 -20.6650 -20.6650 -20.6650 -6.3832 -6.3832 -6.3157 -6.3157 -5.9151 -5.9151 -5.7931 -5.7931 -5.5247 -5.5247 -5.3906 -5.3906 -5.2823 -5.2823 -5.1837 -5.1837 -4.8340 -4.8340 -4.6815 -4.6815 -4.5663 -4.5663 -4.5624 -4.5624 -2.9312 -2.9312 -2.8607 -2.8607 4.1008 4.1008 4.2516 4.2516 4.8245 4.8245 5.0048 5.0048 5.2155 5.2155 5.2633 5.2633 9.4683 9.4683 9.5379 9.5379 10.1679 10.1679 10.1910 10.1910 10.5327 10.5327 k = 0.2703 0.4681 0.3984 ( 4974 PWs) bands (ev): -21.5321 -21.5321 -21.5321 -21.5321 -20.6649 -20.6649 -20.6649 -20.6649 -6.3810 -6.3810 -6.3164 -6.3164 -5.9082 -5.9082 -5.7910 -5.7910 -5.5249 -5.5249 -5.3948 -5.3948 -5.2815 -5.2815 -5.1848 -5.1848 -4.8326 -4.8326 -4.6900 -4.6900 -4.5608 -4.5608 -4.5608 -4.5608 -2.9348 -2.9348 -2.8667 -2.8667 4.0960 4.0960 4.2363 4.2363 4.8358 4.8358 4.9955 4.9955 5.2311 5.2311 5.2677 5.2677 9.4704 9.4704 9.5354 9.5354 10.1609 10.1609 10.1827 10.1827 10.5030 10.5030 k = 0.2613 0.4525 0.3984 ( 4970 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -20.6649 -20.6649 -20.6649 -20.6649 -6.3787 -6.3787 -6.3171 -6.3171 -5.9003 -5.9003 -5.7884 -5.7884 -5.5250 -5.5250 -5.3990 -5.3990 -5.2811 -5.2811 -5.1862 -5.1862 -4.8309 -4.8309 -4.6983 -4.6983 -4.5592 -4.5592 -4.5557 -4.5557 -2.9390 -2.9390 -2.8737 -2.8737 4.0912 4.0912 4.2208 4.2208 4.8469 4.8469 4.9866 4.9866 5.2460 5.2460 5.2722 5.2722 9.4746 9.4746 9.5345 9.5345 10.1512 10.1512 10.1714 10.1714 10.4736 10.4736 k = 0.2523 0.4369 0.3984 ( 4978 PWs) bands (ev): -21.5323 -21.5323 -21.5323 -21.5323 -20.6648 -20.6648 -20.6648 -20.6648 -6.3761 -6.3761 -6.3178 -6.3178 -5.8914 -5.8914 -5.7852 -5.7852 -5.5251 -5.5251 -5.4030 -5.4030 -5.2813 -5.2813 -5.1880 -5.1880 -4.8289 -4.8289 -4.7064 -4.7064 -4.5575 -4.5575 -4.5511 -4.5511 -2.9441 -2.9441 -2.8817 -2.8817 4.0866 4.0866 4.2056 4.2056 4.8573 4.8573 4.9782 4.9782 5.2600 5.2600 5.2766 5.2766 9.4809 9.4809 9.5357 9.5357 10.1386 10.1386 10.1570 10.1570 10.4442 10.4443 k = 0.2432 0.4213 0.3984 ( 4978 PWs) bands (ev): -21.5323 -21.5323 -21.5323 -21.5323 -20.6648 -20.6648 -20.6648 -20.6648 -6.3733 -6.3733 -6.3186 -6.3186 -5.8816 -5.8816 -5.7816 -5.7816 -5.5251 -5.5251 -5.4069 -5.4069 -5.2819 -5.2819 -5.1902 -5.1902 -4.8266 -4.8266 -4.7141 -4.7141 -4.5558 -4.5558 -4.5470 -4.5470 -2.9501 -2.9501 -2.8908 -2.8908 4.0823 4.0823 4.1911 4.1911 4.8667 4.8667 4.9700 4.9700 5.2727 5.2727 5.2808 5.2808 9.4897 9.4897 9.5393 9.5393 10.1228 10.1228 10.1393 10.1393 10.4146 10.4146 k = 0.2342 0.4057 0.3984 ( 4974 PWs) bands (ev): -21.5324 -21.5324 -21.5324 -21.5324 -20.6647 -20.6647 -20.6647 -20.6647 -6.3703 -6.3703 -6.3193 -6.3193 -5.8709 -5.8709 -5.7773 -5.7773 -5.5249 -5.5249 -5.4107 -5.4107 -5.2831 -5.2831 -5.1928 -5.1928 -4.8240 -4.8240 -4.7214 -4.7214 -4.5543 -4.5543 -4.5434 -4.5434 -2.9569 -2.9569 -2.9009 -2.9009 4.0788 4.0788 4.1776 4.1776 4.8749 4.8749 4.9622 4.9622 5.2839 5.2839 5.2846 5.2846 9.5009 9.5009 9.5454 9.5454 10.1038 10.1038 10.1185 10.1185 10.3841 10.3841 k = 0.2252 0.3901 0.3984 ( 4986 PWs) bands (ev): -21.5326 -21.5326 -21.5326 -21.5326 -20.6647 -20.6647 -20.6646 -20.6646 -6.3672 -6.3672 -6.3201 -6.3201 -5.8594 -5.8594 -5.7726 -5.7726 -5.5246 -5.5246 -5.4142 -5.4142 -5.2847 -5.2847 -5.1959 -5.1959 -4.8211 -4.8211 -4.7282 -4.7282 -4.5528 -4.5528 -4.5404 -4.5404 -2.9645 -2.9645 -2.9119 -2.9119 4.0760 4.0760 4.1655 4.1655 4.8817 4.8817 4.9545 4.9545 5.2878 5.2878 5.2935 5.2935 9.5146 9.5146 9.5540 9.5540 10.0816 10.0816 10.0945 10.0945 10.3525 10.3525 k = 0.2162 0.3745 0.3984 ( 4990 PWs) bands (ev): -21.5327 -21.5327 -21.5327 -21.5327 -20.6646 -20.6646 -20.6646 -20.6646 -6.3641 -6.3641 -6.3207 -6.3207 -5.8470 -5.8470 -5.7672 -5.7672 -5.5242 -5.5242 -5.4174 -5.4174 -5.2868 -5.2868 -5.1995 -5.1995 -4.8179 -4.8179 -4.7343 -4.7343 -4.5515 -4.5515 -4.5379 -4.5379 -2.9730 -2.9730 -2.9240 -2.9240 4.0744 4.0744 4.1550 4.1550 4.8869 4.8869 4.9468 4.9468 5.2902 5.2902 5.3013 5.3013 9.5305 9.5305 9.5651 9.5651 10.0561 10.0561 10.0675 10.0675 10.3199 10.3199 k = 0.2072 0.3589 0.3984 ( 4982 PWs) bands (ev): -21.5328 -21.5328 -21.5328 -21.5328 -20.6645 -20.6645 -20.6645 -20.6645 -6.3608 -6.3608 -6.3213 -6.3213 -5.8339 -5.8339 -5.7612 -5.7612 -5.5235 -5.5235 -5.4205 -5.4205 -5.2893 -5.2893 -5.2037 -5.2037 -4.8143 -4.8143 -4.7398 -4.7398 -4.5504 -4.5504 -4.5360 -4.5360 -2.9824 -2.9824 -2.9369 -2.9369 4.0740 4.0740 4.1463 4.1463 4.8906 4.8906 4.9391 4.9391 5.2917 5.2917 5.3070 5.3070 9.5485 9.5485 9.5784 9.5784 10.0274 10.0274 10.0374 10.0374 10.2864 10.2864 k = 0.1982 0.3433 0.3984 ( 4970 PWs) bands (ev): -21.5329 -21.5329 -21.5329 -21.5329 -20.6644 -20.6644 -20.6644 -20.6644 -6.3576 -6.3576 -6.3219 -6.3219 -5.8202 -5.8202 -5.7547 -5.7547 -5.5226 -5.5226 -5.4233 -5.4233 -5.2921 -5.2921 -5.2084 -5.2084 -4.8105 -4.8105 -4.7446 -4.7446 -4.5495 -4.5495 -4.5346 -4.5346 -2.9926 -2.9926 -2.9508 -2.9508 4.0749 4.0749 4.1395 4.1395 4.8927 4.8927 4.9313 4.9313 5.2921 5.2921 5.3108 5.3108 9.5681 9.5681 9.5937 9.5937 9.9957 9.9957 10.0044 10.0044 10.2527 10.2527 k = 0.1892 0.3277 0.3984 ( 4966 PWs) bands (ev): -21.5330 -21.5330 -21.5330 -21.5330 -20.6643 -20.6643 -20.6643 -20.6643 -6.3544 -6.3544 -6.3224 -6.3224 -5.8059 -5.8059 -5.7476 -5.7476 -5.5215 -5.5215 -5.4259 -5.4259 -5.2953 -5.2953 -5.2136 -5.2136 -4.8064 -4.8064 -4.7486 -4.7486 -4.5488 -4.5488 -4.5338 -4.5338 -3.0036 -3.0036 -2.9654 -2.9654 4.0774 4.0774 4.1348 4.1348 4.8932 4.8932 4.9233 4.9233 5.2913 5.2913 5.3124 5.3124 9.5887 9.5887 9.6103 9.6103 9.9611 9.9611 9.9688 9.9688 10.2194 10.2194 k = 0.1802 0.3121 0.3984 ( 4964 PWs) bands (ev): -21.5332 -21.5332 -21.5332 -21.5332 -20.6642 -20.6642 -20.6642 -20.6642 -6.3512 -6.3512 -6.3228 -6.3228 -5.7912 -5.7912 -5.7399 -5.7399 -5.5202 -5.5202 -5.4282 -5.4282 -5.2987 -5.2987 -5.2194 -5.2194 -4.8019 -4.8019 -4.7518 -4.7518 -4.5485 -4.5485 -4.5336 -4.5336 -3.0154 -3.0154 -2.9807 -2.9807 4.0816 4.0816 4.1322 4.1322 4.8922 4.8922 4.9152 4.9152 5.2892 5.2892 5.3118 5.3118 9.6095 9.6095 9.6275 9.6275 9.9242 9.9242 9.9310 9.9310 10.1872 10.1872 k = 0.1712 0.2965 0.3984 ( 4954 PWs) bands (ev): -21.5333 -21.5333 -21.5333 -21.5333 -20.6641 -20.6641 -20.6641 -20.6641 -6.3481 -6.3481 -6.3231 -6.3231 -5.7761 -5.7761 -5.7317 -5.7317 -5.5185 -5.5185 -5.4304 -5.4304 -5.3023 -5.3023 -5.2258 -5.2258 -4.7972 -4.7972 -4.7541 -4.7541 -4.5485 -4.5485 -4.5340 -4.5340 -3.0277 -3.0277 -2.9966 -2.9966 4.0874 4.0874 4.1318 4.1318 4.8898 4.8898 4.9068 4.9068 5.2857 5.2857 5.3090 5.3090 9.6293 9.6293 9.6439 9.6439 9.8862 9.8862 9.8922 9.8922 10.1566 10.1566 k = 0.1622 0.2809 0.3984 ( 4958 PWs) bands (ev): -21.5335 -21.5335 -21.5335 -21.5335 -20.6640 -20.6640 -20.6640 -20.6640 -6.3451 -6.3451 -6.3234 -6.3234 -5.7608 -5.7608 -5.7230 -5.7230 -5.5166 -5.5166 -5.4324 -5.4324 -5.3062 -5.3062 -5.2328 -5.2328 -4.7923 -4.7923 -4.7557 -4.7557 -4.5488 -4.5488 -4.5349 -4.5349 -3.0407 -3.0407 -3.0130 -3.0130 4.0949 4.0949 4.1336 4.1336 4.8862 4.8862 4.8982 4.8982 5.2806 5.2806 5.3040 5.3040 9.6460 9.6460 9.6574 9.6574 9.8493 9.8493 9.8548 9.8548 10.1280 10.1280 k = 0.1532 0.2653 0.3984 ( 4958 PWs) bands (ev): -21.5336 -21.5336 -21.5336 -21.5336 -20.6639 -20.6639 -20.6639 -20.6639 -6.3423 -6.3423 -6.3236 -6.3236 -5.7453 -5.7453 -5.7139 -5.7139 -5.5143 -5.5143 -5.4342 -5.4342 -5.3101 -5.3101 -5.2402 -5.2402 -4.7870 -4.7870 -4.7563 -4.7563 -4.5495 -4.5495 -4.5364 -4.5364 -3.0542 -3.0542 -3.0298 -3.0298 4.1041 4.1041 4.1376 4.1376 4.8816 4.8816 4.8896 4.8896 5.2739 5.2739 5.2968 5.2968 9.6556 9.6556 9.6639 9.6639 9.8176 9.8176 9.8233 9.8233 10.1005 10.1005 k = 0.1441 0.2497 0.3984 ( 4962 PWs) bands (ev): -21.5338 -21.5338 -21.5338 -21.5338 -20.6638 -20.6638 -20.6638 -20.6638 -6.3396 -6.3396 -6.3237 -6.3237 -5.7299 -5.7299 -5.7044 -5.7044 -5.5116 -5.5116 -5.4358 -5.4358 -5.3142 -5.3142 -5.2482 -5.2482 -4.7815 -4.7815 -4.7561 -4.7561 -4.5506 -4.5506 -4.5384 -4.5384 -3.0681 -3.0681 -3.0468 -3.0468 4.1151 4.1151 4.1438 4.1438 4.8761 4.8761 4.8809 4.8809 5.2655 5.2655 5.2873 5.2873 9.6517 9.6517 9.6568 9.6568 9.7978 9.7978 9.8042 9.8042 10.0747 10.0747 k = 0.1351 0.2341 0.3984 ( 4956 PWs) bands (ev): -21.5339 -21.5339 -21.5339 -21.5339 -20.6637 -20.6637 -20.6637 -20.6637 -6.3371 -6.3371 -6.3237 -6.3237 -5.7145 -5.7145 -5.6945 -5.6945 -5.5084 -5.5084 -5.4372 -5.4372 -5.3184 -5.3184 -5.2566 -5.2566 -4.7757 -4.7757 -4.7550 -4.7550 -4.5521 -4.5521 -4.5410 -4.5410 -3.0822 -3.0822 -3.0639 -3.0639 4.1276 4.1276 4.1519 4.1519 4.8700 4.8700 4.8724 4.8724 5.2553 5.2553 5.2758 5.2758 9.6309 9.6309 9.6337 9.6337 9.7938 9.7938 9.8005 9.8005 10.0512 10.0512 k = 0.1261 0.2185 0.3984 ( 4962 PWs) bands (ev): -21.5341 -21.5341 -21.5341 -21.5341 -20.6636 -20.6636 -20.6636 -20.6636 -6.3347 -6.3347 -6.3237 -6.3237 -5.6996 -5.6996 -5.6845 -5.6845 -5.5048 -5.5048 -5.4385 -5.4385 -5.3227 -5.3227 -5.2655 -5.2655 -4.7696 -4.7696 -4.7530 -4.7530 -4.5541 -4.5541 -4.5441 -4.5441 -3.0965 -3.0965 -3.0810 -3.0810 4.1416 4.1416 4.1620 4.1620 4.8637 4.8637 4.8641 4.8641 5.2433 5.2433 5.2621 5.2621 9.5984 9.5984 9.5998 9.5998 9.8007 9.8007 9.8074 9.8074 10.0299 10.0299 k = 0.1171 0.2029 0.3984 ( 4958 PWs) bands (ev): -21.5342 -21.5342 -21.5342 -21.5342 -20.6635 -20.6635 -20.6635 -20.6635 -6.3326 -6.3326 -6.3236 -6.3236 -5.6850 -5.6850 -5.6743 -5.6743 -5.5007 -5.5007 -5.4395 -5.4395 -5.3271 -5.3271 -5.2747 -5.2747 -4.7632 -4.7632 -4.7502 -4.7502 -4.5566 -4.5566 -4.5478 -4.5478 -3.1108 -3.1108 -3.0979 -3.0979 4.1570 4.1570 4.1738 4.1738 4.8563 4.8563 4.8572 4.8572 5.2295 5.2295 5.2464 5.2464 9.5607 9.5607 9.5613 9.5613 9.8123 9.8123 9.8188 9.8188 10.0108 10.0108 k = 0.1081 0.1872 0.3984 ( 4968 PWs) bands (ev): -21.5344 -21.5344 -21.5344 -21.5344 -20.6634 -20.6634 -20.6634 -20.6634 -6.3306 -6.3306 -6.3235 -6.3235 -5.6711 -5.6711 -5.6640 -5.6640 -5.4961 -5.4961 -5.4404 -5.4404 -5.3315 -5.3315 -5.2843 -5.2843 -4.7565 -4.7565 -4.7465 -4.7465 -4.5596 -4.5596 -4.5519 -4.5519 -3.1249 -3.1249 -3.1144 -3.1144 4.1735 4.1735 4.1871 4.1871 4.8492 4.8492 4.8510 4.8510 5.2139 5.2139 5.2289 5.2289 9.5217 9.5217 9.5219 9.5219 9.8251 9.8251 9.8314 9.8314 9.9936 9.9936 k = 0.0991 0.1716 0.3984 ( 4972 PWs) bands (ev): -21.5345 -21.5345 -21.5345 -21.5345 -20.6633 -20.6633 -20.6633 -20.6633 -6.3288 -6.3288 -6.3233 -6.3233 -5.6579 -5.6579 -5.6539 -5.6539 -5.4908 -5.4908 -5.4409 -5.4409 -5.3361 -5.3361 -5.2942 -5.2942 -4.7495 -4.7495 -4.7421 -4.7421 -4.5630 -4.5630 -4.5566 -4.5566 -3.1387 -3.1387 -3.1303 -3.1303 4.1908 4.1908 4.2017 4.2017 4.8430 4.8430 4.8454 4.8454 5.1967 5.1967 5.2095 5.2095 9.4834 9.4834 9.4834 9.4834 9.8375 9.8375 9.8436 9.8436 9.9785 9.9785 k = 0.0901 0.1560 0.3984 ( 4976 PWs) bands (ev): -21.5346 -21.5346 -21.5346 -21.5346 -20.6632 -20.6632 -20.6632 -20.6632 -6.3272 -6.3272 -6.3230 -6.3230 -5.6457 -5.6457 -5.6439 -5.6439 -5.4849 -5.4849 -5.4411 -5.4411 -5.3409 -5.3409 -5.3044 -5.3044 -4.7422 -4.7422 -4.7369 -4.7369 -4.5670 -4.5670 -4.5618 -4.5618 -3.1520 -3.1520 -3.1455 -3.1455 4.2088 4.2088 4.2172 4.2172 4.8379 4.8379 4.8405 4.8405 5.1778 5.1778 5.1887 5.1887 9.4468 9.4468 9.4469 9.4469 9.8486 9.8486 9.8545 9.8545 9.9653 9.9653 k = 0.0811 0.1404 0.3984 ( 4968 PWs) bands (ev): -21.5348 -21.5348 -21.5348 -21.5348 -20.6631 -20.6631 -20.6631 -20.6631 -6.3258 -6.3258 -6.3227 -6.3227 -5.6345 -5.6345 -5.6342 -5.6342 -5.4784 -5.4784 -5.4409 -5.4409 -5.3458 -5.3458 -5.3147 -5.3147 -4.7347 -4.7347 -4.7310 -4.7310 -4.5716 -4.5716 -4.5673 -4.5673 -3.1648 -3.1648 -3.1599 -3.1599 4.2269 4.2269 4.2332 4.2332 4.8341 4.8341 4.8368 4.8368 5.1577 5.1577 5.1665 5.1665 9.4127 9.4127 9.4129 9.4129 9.8581 9.8581 9.8637 9.8637 9.9540 9.9540 k = 0.0721 0.1248 0.3984 ( 4968 PWs) bands (ev): -21.5349 -21.5349 -21.5349 -21.5349 -20.6631 -20.6631 -20.6631 -20.6631 -6.3246 -6.3246 -6.3224 -6.3224 -5.6250 -5.6250 -5.6244 -5.6244 -5.4713 -5.4713 -5.4401 -5.4401 -5.3510 -5.3510 -5.3252 -5.3252 -4.7270 -4.7270 -4.7246 -4.7246 -4.5766 -4.5766 -4.5733 -4.5733 -3.1767 -3.1767 -3.1732 -3.1732 4.2449 4.2449 4.2495 4.2495 4.8319 4.8319 4.8344 4.8344 5.1364 5.1364 5.1434 5.1434 9.3816 9.3816 9.3817 9.3817 9.8659 9.8659 9.8710 9.8710 9.9448 9.9448 k = 0.0631 0.1092 0.3984 ( 4956 PWs) bands (ev): -21.5350 -21.5350 -21.5350 -21.5350 -20.6630 -20.6630 -20.6630 -20.6630 -6.3236 -6.3236 -6.3221 -6.3221 -5.6165 -5.6165 -5.6154 -5.6154 -5.4637 -5.4637 -5.4387 -5.4387 -5.3564 -5.3564 -5.3357 -5.3357 -4.7191 -4.7191 -4.7176 -4.7176 -4.5821 -4.5821 -4.5797 -4.5797 -3.1877 -3.1877 -3.1853 -3.1853 4.2623 4.2623 4.2654 4.2654 4.8314 4.8314 4.8336 4.8336 5.1143 5.1143 5.1196 5.1196 9.3537 9.3537 9.3539 9.3539 9.8719 9.8719 9.8763 9.8763 9.9375 9.9375 k = 0.0541 0.0936 0.3984 ( 4952 PWs) bands (ev): -21.5350 -21.5350 -21.5350 -21.5350 -20.6629 -20.6629 -20.6629 -20.6629 -6.3227 -6.3227 -6.3218 -6.3218 -5.6088 -5.6088 -5.6077 -5.6077 -5.4556 -5.4556 -5.4366 -5.4366 -5.3621 -5.3621 -5.3463 -5.3463 -4.7111 -4.7111 -4.7103 -4.7103 -4.5879 -4.5879 -4.5863 -4.5863 -3.1977 -3.1977 -3.1961 -3.1961 4.2786 4.2786 4.2806 4.2806 4.8328 4.8328 4.8346 4.8346 5.0919 5.0919 5.0957 5.0957 9.3293 9.3293 9.3294 9.3294 9.8761 9.8761 9.8796 9.8796 9.9323 9.9323 k = 0.0450 0.0780 0.3984 ( 4948 PWs) bands (ev): -21.5351 -21.5351 -21.5351 -21.5351 -20.6629 -20.6629 -20.6629 -20.6629 -6.3220 -6.3220 -6.3215 -6.3215 -5.6020 -5.6020 -5.6011 -5.6011 -5.4471 -5.4471 -5.4336 -5.4336 -5.3682 -5.3682 -5.3567 -5.3567 -4.7032 -4.7032 -4.7028 -4.7028 -4.5940 -4.5940 -4.5930 -4.5930 -3.2064 -3.2064 -3.2054 -3.2054 4.2934 4.2934 4.2946 4.2946 4.8360 4.8360 4.8374 4.8374 5.0697 5.0697 5.0723 5.0723 9.3085 9.3085 9.3085 9.3085 9.8788 9.8788 9.8812 9.8812 9.9289 9.9289 k = 0.0360 0.0624 0.3984 ( 4952 PWs) bands (ev): -21.5352 -21.5352 -21.5352 -21.5352 -20.6628 -20.6628 -20.6628 -20.6628 -6.3215 -6.3215 -6.3212 -6.3212 -5.5963 -5.5963 -5.5958 -5.5958 -5.4385 -5.4385 -5.4297 -5.4297 -5.3747 -5.3747 -5.3670 -5.3670 -4.6956 -4.6956 -4.6955 -4.6955 -4.6002 -4.6002 -4.5996 -4.5996 -3.2137 -3.2137 -3.2132 -3.2132 4.3062 4.3062 4.3068 4.3068 4.8409 4.8409 4.8418 4.8418 5.0485 5.0485 5.0500 5.0500 9.2913 9.2913 9.2914 9.2914 9.8802 9.8802 9.8815 9.8815 9.9269 9.9269 k = 0.0270 0.0468 0.3984 ( 4960 PWs) bands (ev): -21.5352 -21.5352 -21.5352 -21.5352 -20.6628 -20.6628 -20.6628 -20.6628 -6.3211 -6.3211 -6.3210 -6.3210 -5.5919 -5.5919 -5.5916 -5.5916 -5.4298 -5.4298 -5.4248 -5.4248 -5.3815 -5.3815 -5.3771 -5.3771 -4.6886 -4.6886 -4.6886 -4.6886 -4.6062 -4.6062 -4.6059 -4.6059 -3.2195 -3.2195 -3.2193 -3.2193 4.3166 4.3166 4.3168 4.3168 4.8469 4.8469 4.8474 4.8474 5.0291 5.0291 5.0299 5.0299 9.2779 9.2779 9.2780 9.2780 9.8806 9.8806 9.8812 9.8812 9.9258 9.9258 k = 0.0180 0.0312 0.3984 ( 4976 PWs) bands (ev): -21.5353 -21.5353 -21.5353 -21.5353 -20.6628 -20.6628 -20.6628 -20.6628 -6.3209 -6.3209 -6.3208 -6.3208 -5.5887 -5.5887 -5.5886 -5.5886 -5.4211 -5.4211 -5.4189 -5.4189 -5.3888 -5.3888 -5.3867 -5.3867 -4.6827 -4.6827 -4.6827 -4.6827 -4.6114 -4.6114 -4.6113 -4.6113 -3.2238 -3.2238 -3.2237 -3.2237 4.3242 4.3242 4.3243 4.3243 4.8531 4.8531 4.8532 4.8532 5.0131 5.0131 5.0134 5.0134 9.2683 9.2683 9.2684 9.2684 9.8804 9.8804 9.8806 9.8806 9.9252 9.9252 k = 0.0090 0.0156 0.3984 ( 4984 PWs) bands (ev): -21.5353 -21.5353 -21.5353 -21.5353 -20.6628 -20.6628 -20.6628 -20.6628 -6.3207 -6.3207 -6.3207 -6.3207 -5.5868 -5.5868 -5.5868 -5.5868 -5.4126 -5.4126 -5.4121 -5.4121 -5.3964 -5.3964 -5.3959 -5.3959 -4.6786 -4.6786 -4.6786 -4.6786 -4.6151 -4.6151 -4.6151 -4.6151 -3.2264 -3.2264 -3.2264 -3.2264 4.3289 4.3289 4.3289 4.3289 4.8579 4.8579 4.8579 4.8579 5.0022 5.0022 5.0022 5.0022 9.2626 9.2626 9.2626 9.2626 9.8802 9.8802 9.8802 9.8802 9.9249 9.9249 k = 0.0000 0.0000 0.3984 ( 4982 PWs) bands (ev): -21.5353 -21.5353 -21.5353 -21.5353 -20.6628 -20.6628 -20.6628 -20.6628 -6.3207 -6.3207 -6.3207 -6.3207 -5.5862 -5.5862 -5.5862 -5.5862 -5.4046 -5.4046 -5.4046 -5.4046 -5.4041 -5.4041 -5.4041 -5.4041 -4.6771 -4.6771 -4.6771 -4.6771 -4.6164 -4.6164 -4.6164 -4.6164 -3.2272 -3.2272 -3.2272 -3.2272 4.3305 4.3305 4.3305 4.3305 4.8597 4.8597 4.8597 4.8597 4.9983 4.9983 4.9983 4.9983 9.2607 9.2607 9.2607 9.2607 9.8801 9.8801 9.8801 9.8801 9.9248 9.9248 k = 0.5000 0.2887 0.3984 ( 4968 PWs) bands (ev): -21.5323 -21.5323 -21.5323 -21.5323 -20.6648 -20.6648 -20.6648 -20.6648 -6.3465 -6.3465 -6.3465 -6.3465 -5.8231 -5.8231 -5.8231 -5.8231 -5.5084 -5.5084 -5.5084 -5.5084 -5.2052 -5.2052 -5.2052 -5.2052 -4.7894 -4.7894 -4.7894 -4.7894 -4.5341 -4.5341 -4.5341 -4.5341 -2.9105 -2.9105 -2.9105 -2.9105 4.0734 4.0734 4.0734 4.0734 4.9659 4.9659 4.9659 4.9659 5.3242 5.3242 5.3242 5.3242 9.3206 9.3206 9.3206 9.3206 10.3509 10.3509 10.3509 10.3509 10.3931 10.3931 k = 0.5000 0.2887 0.3803 ( 4964 PWs) bands (ev): -21.5352 -21.5352 -21.5293 -21.5293 -20.6649 -20.6649 -20.6647 -20.6647 -6.3565 -6.3565 -6.3375 -6.3375 -5.8332 -5.8332 -5.8122 -5.8122 -5.5197 -5.5197 -5.4964 -5.4964 -5.2111 -5.2111 -5.1994 -5.1994 -4.7938 -4.7938 -4.7848 -4.7848 -4.5364 -4.5364 -4.5320 -4.5320 -2.9131 -2.9131 -2.9089 -2.9089 4.0624 4.0624 4.0870 4.0870 4.9587 4.9587 4.9736 4.9736 5.3153 5.3153 5.3337 5.3337 9.2659 9.2659 9.3684 9.3684 10.2934 10.2934 10.3597 10.3597 10.4089 10.4089 k = 0.5000 0.2887 0.3622 ( 4982 PWs) bands (ev): -21.5381 -21.5381 -21.5265 -21.5265 -20.6651 -20.6651 -20.6646 -20.6646 -6.3673 -6.3673 -6.3292 -6.3292 -5.8425 -5.8425 -5.8007 -5.8007 -5.5301 -5.5301 -5.4837 -5.4837 -5.2172 -5.2172 -5.1938 -5.1938 -4.7980 -4.7980 -4.7801 -4.7801 -4.5388 -4.5388 -4.5299 -4.5299 -2.9168 -2.9168 -2.9083 -2.9083 4.0540 4.0540 4.1034 4.1034 4.9520 4.9520 4.9815 4.9815 5.3071 5.3071 5.3436 5.3436 9.2059 9.2059 9.4071 9.4071 10.2372 10.2372 10.3360 10.3360 10.4654 10.4654 k = 0.5000 0.2887 0.3441 ( 4966 PWs) bands (ev): -21.5409 -21.5409 -21.5236 -21.5236 -20.6652 -20.6652 -20.6644 -20.6644 -6.3787 -6.3787 -6.3218 -6.3218 -5.8509 -5.8509 -5.7885 -5.7885 -5.5397 -5.5397 -5.4704 -5.4704 -5.2234 -5.2234 -5.1884 -5.1884 -4.8021 -4.8021 -4.7752 -4.7752 -4.5412 -4.5412 -4.5279 -4.5279 -2.9214 -2.9214 -2.9087 -2.9087 4.0481 4.0481 4.1225 4.1225 4.9460 4.9460 4.9898 4.9898 5.2997 5.2997 5.3538 5.3538 9.1424 9.1424 9.4351 9.4351 10.1826 10.1826 10.3241 10.3241 10.5168 10.5168 k = 0.5000 0.2887 0.3260 ( 4970 PWs) bands (ev): -21.5437 -21.5437 -21.5208 -21.5208 -20.6653 -20.6653 -20.6643 -20.6643 -6.3908 -6.3908 -6.3153 -6.3153 -5.8584 -5.8584 -5.7759 -5.7759 -5.5485 -5.5485 -5.4566 -5.4566 -5.2296 -5.2296 -5.1832 -5.1832 -4.8061 -4.8061 -4.7702 -4.7702 -4.5438 -4.5438 -4.5260 -4.5260 -2.9269 -2.9269 -2.9101 -2.9101 4.0442 4.0442 4.1444 4.1444 4.9407 4.9407 4.9982 4.9982 5.2932 5.2932 5.3640 5.3640 9.0766 9.0766 9.4514 9.4514 10.1301 10.1301 10.3254 10.3254 10.5633 10.5633 k = 0.5000 0.2887 0.3079 ( 4972 PWs) bands (ev): -21.5465 -21.5465 -21.5180 -21.5180 -20.6655 -20.6655 -20.6642 -20.6642 -6.4034 -6.4034 -6.3096 -6.3096 -5.8651 -5.8651 -5.7630 -5.7630 -5.5565 -5.5565 -5.4425 -5.4425 -5.2357 -5.2357 -5.1782 -5.1782 -4.8100 -4.8100 -4.7650 -4.7650 -4.5465 -4.5465 -4.5242 -4.5242 -2.9332 -2.9332 -2.9124 -2.9124 4.0423 4.0423 4.1689 4.1689 4.9362 4.9362 5.0069 5.0069 5.2876 5.2876 5.3740 5.3740 9.0097 9.0097 9.4564 9.4564 10.0799 10.0799 10.3395 10.3395 10.6041 10.6041 k = 0.5000 0.2887 0.2898 ( 4964 PWs) bands (ev): -21.5492 -21.5492 -21.5152 -21.5152 -20.6656 -20.6656 -20.6640 -20.6640 -6.4164 -6.4164 -6.3046 -6.3046 -5.8708 -5.8708 -5.7498 -5.7498 -5.5635 -5.5635 -5.4284 -5.4284 -5.2418 -5.2418 -5.1735 -5.1735 -4.8137 -4.8137 -4.7596 -4.7596 -4.5493 -4.5493 -4.5224 -4.5224 -2.9403 -2.9403 -2.9156 -2.9156 4.0421 4.0421 4.1958 4.1958 4.9328 4.9328 5.0157 5.0157 5.2828 5.2828 5.3836 5.3836 8.9426 8.9426 9.4517 9.4517 10.0323 10.0323 10.3648 10.3648 10.6330 10.6330 k = 0.5000 0.2887 0.2717 ( 4970 PWs) bands (ev): -21.5518 -21.5518 -21.5126 -21.5126 -20.6657 -20.6657 -20.6639 -20.6639 -6.4295 -6.4295 -6.3004 -6.3004 -5.8758 -5.8758 -5.7365 -5.7365 -5.5698 -5.5698 -5.4143 -5.4143 -5.2475 -5.2475 -5.1690 -5.1690 -4.8173 -4.8173 -4.7541 -4.7541 -4.5522 -4.5522 -4.5207 -4.5207 -2.9479 -2.9479 -2.9194 -2.9194 4.0432 4.0432 4.2250 4.2250 4.9305 4.9305 5.0247 5.0247 5.2790 5.2790 5.3924 5.3924 8.8759 8.8759 9.4397 9.4397 9.9875 9.9875 10.3977 10.3977 10.5999 10.5999 k = 0.5000 0.2887 0.2536 ( 4974 PWs) bands (ev): -21.5543 -21.5543 -21.5101 -21.5101 -20.6658 -20.6658 -20.6638 -20.6638 -6.4428 -6.4428 -6.2968 -6.2968 -5.8800 -5.8800 -5.7232 -5.7232 -5.5752 -5.5752 -5.4008 -5.4008 -5.2529 -5.2529 -5.1647 -5.1647 -4.8208 -4.8208 -4.7484 -4.7484 -4.5553 -4.5553 -4.5191 -4.5191 -2.9561 -2.9561 -2.9239 -2.9239 4.0453 4.0453 4.2561 4.2561 4.9292 4.9292 5.0340 5.0340 5.2760 5.2760 5.4002 5.4002 8.8104 8.8104 9.4231 9.4231 9.9458 9.9458 10.4304 10.4304 10.5412 10.5412 k = 0.5000 0.2887 0.2354 ( 4966 PWs) bands (ev): -21.5566 -21.5566 -21.5077 -21.5077 -20.6660 -20.6660 -20.6637 -20.6637 -6.4559 -6.4559 -6.2938 -6.2938 -5.8835 -5.8835 -5.7101 -5.7101 -5.5799 -5.5799 -5.3881 -5.3881 -5.2574 -5.2574 -5.1608 -5.1608 -4.8242 -4.8242 -4.7426 -4.7426 -4.5585 -4.5585 -4.5175 -4.5175 -2.9645 -2.9645 -2.9289 -2.9289 4.0482 4.0482 4.2888 4.2888 4.9292 4.9292 5.0436 5.0436 5.2739 5.2739 5.4066 5.4066 8.7467 8.7467 9.4044 9.4044 9.9071 9.9071 10.4319 10.4319 10.5180 10.5180 k = 0.5000 0.2887 0.2173 ( 4968 PWs) bands (ev): -21.5589 -21.5589 -21.5054 -21.5054 -20.6661 -20.6661 -20.6636 -20.6636 -6.4688 -6.4688 -6.2912 -6.2912 -5.8864 -5.8864 -5.6972 -5.6972 -5.5837 -5.5837 -5.3770 -5.3770 -5.2608 -5.2608 -5.1570 -5.1570 -4.8275 -4.8275 -4.7367 -4.7367 -4.5618 -4.5618 -4.5160 -4.5160 -2.9732 -2.9732 -2.9343 -2.9343 4.0515 4.0515 4.3227 4.3227 4.9302 4.9302 5.0535 5.0535 5.2726 5.2726 5.4115 5.4115 8.6853 8.6853 9.3859 9.3859 9.8718 9.8718 10.3864 10.3864 10.5137 10.5137 k = 0.5000 0.2887 0.1992 ( 4984 PWs) bands (ev): -21.5610 -21.5610 -21.5032 -21.5032 -20.6662 -20.6662 -20.6635 -20.6635 -6.4813 -6.4813 -6.2892 -6.2892 -5.8887 -5.8887 -5.6848 -5.6848 -5.5867 -5.5867 -5.3679 -5.3679 -5.2626 -5.2626 -5.1536 -5.1536 -4.8307 -4.8307 -4.7308 -4.7308 -4.5653 -4.5653 -4.5146 -4.5146 -2.9819 -2.9819 -2.9400 -2.9400 4.0550 4.0550 4.3573 4.3573 4.9323 4.9323 5.0639 5.0639 5.2720 5.2720 5.4145 5.4145 8.6266 8.6266 9.3691 9.3691 9.8398 9.8398 10.3324 10.3324 10.4698 10.4698 k = 0.5000 0.2887 0.1811 ( 4976 PWs) bands (ev): -21.5630 -21.5630 -21.5012 -21.5012 -20.6663 -20.6663 -20.6634 -20.6634 -6.4932 -6.4932 -6.2875 -6.2875 -5.8905 -5.8905 -5.6729 -5.6729 -5.5889 -5.5889 -5.3614 -5.3614 -5.2623 -5.2623 -5.1505 -5.1505 -4.8337 -4.8337 -4.7249 -4.7249 -4.5688 -4.5688 -4.5133 -4.5133 -2.9905 -2.9905 -2.9457 -2.9457 4.0586 4.0586 4.3920 4.3920 4.9353 4.9353 5.0747 5.0747 5.2721 5.2721 5.4155 5.4155 8.5713 8.5713 9.3552 9.3552 9.8112 9.8112 10.2796 10.2796 10.4256 10.4256 k = 0.5000 0.2887 0.1630 ( 4976 PWs) bands (ev): -21.5648 -21.5648 -21.4994 -21.4994 -20.6663 -20.6663 -20.6633 -20.6633 -6.5043 -6.5043 -6.2861 -6.2861 -5.8920 -5.8920 -5.6619 -5.6619 -5.5901 -5.5901 -5.3579 -5.3579 -5.2598 -5.2598 -5.1476 -5.1476 -4.8365 -4.8365 -4.7190 -4.7190 -4.5724 -4.5724 -4.5120 -4.5120 -2.9988 -2.9988 -2.9514 -2.9514 4.0619 4.0619 4.4264 4.4264 4.9391 4.9391 5.0860 5.0860 5.2728 5.2728 5.4143 5.4143 8.5196 8.5196 9.3452 9.3452 9.7860 9.7860 10.2298 10.2298 10.3843 10.3843 k = 0.5000 0.2887 0.1449 ( 4988 PWs) bands (ev): -21.5664 -21.5664 -21.4977 -21.4977 -20.6664 -20.6664 -20.6633 -20.6633 -6.5147 -6.5147 -6.2850 -6.2850 -5.8931 -5.8931 -5.6520 -5.6520 -5.5904 -5.5904 -5.3571 -5.3571 -5.2552 -5.2552 -5.1450 -5.1450 -4.8392 -4.8392 -4.7132 -4.7132 -4.5760 -4.5760 -4.5109 -4.5109 -3.0067 -3.0067 -2.9569 -2.9569 4.0650 4.0650 4.4596 4.4596 4.9434 4.9434 5.0978 5.0978 5.2741 5.2741 5.4109 5.4109 8.4720 8.4720 9.3394 9.3394 9.7642 9.7642 10.1836 10.1836 10.3467 10.3467 k = 0.5000 0.2887 0.1268 ( 4968 PWs) bands (ev): -21.5679 -21.5679 -21.4962 -21.4962 -20.6665 -20.6665 -20.6632 -20.6632 -6.5241 -6.5241 -6.2842 -6.2842 -5.8939 -5.8939 -5.6436 -5.6436 -5.5894 -5.5894 -5.3585 -5.3585 -5.2493 -5.2493 -5.1427 -5.1427 -4.8416 -4.8416 -4.7076 -4.7076 -4.5796 -4.5796 -4.5098 -4.5098 -3.0140 -3.0140 -2.9622 -2.9622 4.0678 4.0678 4.4912 4.4912 4.9480 4.9480 5.1101 5.1101 5.2758 5.2758 5.4054 5.4054 8.4289 8.4289 9.3380 9.3380 9.7457 9.7457 10.1417 10.1417 10.3132 10.3132 k = 0.5000 0.2887 0.1087 ( 4960 PWs) bands (ev): -21.5691 -21.5691 -21.4948 -21.4948 -20.6665 -20.6665 -20.6631 -20.6631 -6.5325 -6.5325 -6.2835 -6.2835 -5.8945 -5.8945 -5.6368 -5.6368 -5.5873 -5.5873 -5.3613 -5.3613 -5.2428 -5.2428 -5.1407 -5.1407 -4.8438 -4.8438 -4.7022 -4.7022 -4.5831 -4.5831 -4.5089 -4.5089 -3.0207 -3.0207 -2.9670 -2.9670 4.0701 4.0701 4.5203 4.5203 4.9528 4.9528 5.1228 5.1228 5.2777 5.2777 5.3979 5.3979 8.3907 8.3907 9.3407 9.3407 9.7304 9.7304 10.1042 10.1042 10.2839 10.2839 k = 0.5000 0.2887 0.0906 ( 4956 PWs) bands (ev): -21.5702 -21.5702 -21.4937 -21.4937 -20.6666 -20.6666 -20.6631 -20.6631 -6.5397 -6.5397 -6.2830 -6.2830 -5.8950 -5.8950 -5.6317 -5.6317 -5.5842 -5.5842 -5.3649 -5.3649 -5.2364 -5.2364 -5.1390 -5.1390 -4.8458 -4.8458 -4.6973 -4.6973 -4.5864 -4.5864 -4.5081 -4.5081 -3.0266 -3.0266 -2.9712 -2.9712 4.0720 4.0720 4.5463 4.5463 4.9573 4.9573 5.1357 5.1357 5.2798 5.2798 5.3888 5.3888 8.3577 8.3577 9.3468 9.3468 9.7181 9.7181 10.0717 10.0717 10.2590 10.2590 k = 0.5000 0.2887 0.0724 ( 4946 PWs) bands (ev): -21.5711 -21.5711 -21.4927 -21.4927 -20.6666 -20.6666 -20.6630 -20.6630 -6.5457 -6.5457 -6.2826 -6.2826 -5.8953 -5.8953 -5.6282 -5.6282 -5.5804 -5.5804 -5.3687 -5.3687 -5.2306 -5.2306 -5.1376 -5.1376 -4.8475 -4.8475 -4.6930 -4.6930 -4.5894 -4.5894 -4.5074 -4.5074 -3.0315 -3.0315 -2.9748 -2.9748 4.0736 4.0736 4.5685 4.5685 4.9614 4.9614 5.1484 5.1484 5.2818 5.2818 5.3788 5.3788 8.3302 8.3302 9.3553 9.3553 9.7086 9.7086 10.0444 10.0444 10.2387 10.2387 k = 0.5000 0.2887 0.0543 ( 4958 PWs) bands (ev): -21.5719 -21.5719 -21.4920 -21.4920 -20.6667 -20.6667 -20.6630 -20.6630 -6.5504 -6.5504 -6.2824 -6.2824 -5.8955 -5.8955 -5.6260 -5.6260 -5.5767 -5.5767 -5.3721 -5.3721 -5.2258 -5.2258 -5.1365 -5.1365 -4.8488 -4.8488 -4.6893 -4.6893 -4.5920 -4.5920 -4.5069 -4.5069 -3.0354 -3.0354 -2.9778 -2.9778 4.0747 4.0747 4.5864 4.5864 4.9649 4.9649 5.1602 5.1602 5.2837 5.2837 5.3687 5.3687 8.3086 8.3086 9.3647 9.3647 9.7015 9.7015 10.0228 10.0228 10.2230 10.2230 k = 0.5000 0.2887 0.0362 ( 4954 PWs) bands (ev): -21.5724 -21.5724 -21.4915 -21.4915 -20.6667 -20.6667 -20.6630 -20.6630 -6.5539 -6.5539 -6.2822 -6.2822 -5.8956 -5.8956 -5.6247 -5.6247 -5.5735 -5.5735 -5.3749 -5.3749 -5.2222 -5.2222 -5.1357 -5.1357 -4.8498 -4.8498 -4.6866 -4.6866 -4.5940 -4.5940 -4.5065 -4.5065 -3.0383 -3.0383 -2.9799 -2.9799 4.0755 4.0755 4.5996 4.5996 4.9675 4.9675 5.1701 5.1701 5.2853 5.2853 5.3598 5.3598 8.2929 8.2929 9.3733 9.3733 9.6967 9.6967 10.0071 10.0071 10.2119 10.2119 k = 0.5000 0.2887 0.0181 ( 4944 PWs) bands (ev): -21.5727 -21.5727 -21.4911 -21.4911 -20.6667 -20.6667 -20.6629 -20.6629 -6.5559 -6.5559 -6.2821 -6.2821 -5.8957 -5.8957 -5.6239 -5.6239 -5.5714 -5.5714 -5.3767 -5.3767 -5.2199 -5.2199 -5.1352 -5.1352 -4.8504 -4.8504 -4.6848 -4.6848 -4.5953 -4.5953 -4.5062 -4.5062 -3.0400 -3.0400 -2.9812 -2.9812 4.0760 4.0760 4.6076 4.6076 4.9692 4.9692 5.1768 5.1768 5.2863 5.2863 5.3535 5.3535 8.2835 8.2835 9.3793 9.3793 9.6940 9.6940 9.9976 9.9976 10.2055 10.2055 k = 0.5000 0.2887-0.0000 ( 4956 PWs) bands (ev): -21.5728 -21.5728 -21.4910 -21.4910 -20.6667 -20.6667 -20.6630 -20.6630 -6.5566 -6.5566 -6.2821 -6.2821 -5.8957 -5.8957 -5.6237 -5.6237 -5.5707 -5.5707 -5.3773 -5.3773 -5.2192 -5.2192 -5.1350 -5.1350 -4.8506 -4.8506 -4.6842 -4.6842 -4.5957 -4.5957 -4.5061 -4.5061 -3.0406 -3.0406 -2.9816 -2.9816 4.0761 4.0761 4.6103 4.6103 4.9697 4.9697 5.1792 5.1792 5.2867 5.2867 5.3512 5.3512 8.2803 8.2803 9.3815 9.3815 9.6931 9.6931 9.9944 9.9944 10.2034 10.2034 k = 0.3333 0.5774-0.0000 ( 4920 PWs) bands (ev): -21.5721 -21.5721 -21.4910 -21.4910 -20.6651 -20.6651 -20.6650 -20.6650 -6.5486 -6.5486 -6.3011 -6.3011 -5.8994 -5.8994 -5.7842 -5.7842 -5.4113 -5.4113 -5.3710 -5.3710 -5.2529 -5.2529 -5.1622 -5.1622 -4.7932 -4.7932 -4.6697 -4.6697 -4.5693 -4.5693 -4.5648 -4.5648 -3.0273 -3.0273 -2.9433 -2.9433 4.3052 4.3052 4.4856 4.4856 4.7658 4.7658 5.1193 5.1193 5.2410 5.2410 5.6550 5.6550 8.4270 8.4270 8.5017 8.5017 9.8506 9.8506 9.9061 9.9061 10.7238 10.7238 k = 0.3333 0.5774 0.0181 ( 4920 PWs) bands (ev): -21.5720 -21.5720 -21.4911 -21.4911 -20.6651 -20.6651 -20.6650 -20.6650 -6.5479 -6.5479 -6.3012 -6.3012 -5.8996 -5.8996 -5.7843 -5.7843 -5.4111 -5.4111 -5.3714 -5.3714 -5.2533 -5.2533 -5.1623 -5.1623 -4.7936 -4.7936 -4.6695 -4.6695 -4.5695 -4.5695 -4.5648 -4.5648 -3.0268 -3.0268 -2.9428 -2.9428 4.3044 4.3044 4.4858 4.4858 4.7642 4.7642 5.1196 5.1196 5.2397 5.2397 5.6530 5.6530 8.4313 8.4313 8.5045 8.5045 9.8531 9.8531 9.9084 9.9084 10.7262 10.7262 k = 0.3333 0.5774 0.0362 ( 4920 PWs) bands (ev): -21.5717 -21.5717 -21.4914 -21.4914 -20.6651 -20.6651 -20.6650 -20.6650 -6.5459 -6.5459 -6.3012 -6.3012 -5.9001 -5.9001 -5.7846 -5.7846 -5.4106 -5.4106 -5.3729 -5.3729 -5.2542 -5.2542 -5.1625 -5.1625 -4.7946 -4.7946 -4.6688 -4.6688 -4.5699 -4.5699 -4.5648 -4.5648 -3.0252 -3.0252 -2.9413 -2.9413 4.3019 4.3019 4.4864 4.4864 4.7594 4.7594 5.1204 5.1204 5.2360 5.2360 5.6471 5.6471 8.4440 8.4440 8.5130 8.5130 9.8604 9.8604 9.9152 9.9152 10.7334 10.7334 k = 0.3333 0.5774 0.0543 ( 4941 PWs) bands (ev): -21.5712 -21.5712 -21.4920 -21.4920 -20.6651 -20.6651 -20.6650 -20.6650 -6.5427 -6.5427 -6.3014 -6.3014 -5.9011 -5.9011 -5.7850 -5.7850 -5.4097 -5.4097 -5.3753 -5.3753 -5.2558 -5.2558 -5.1629 -5.1629 -4.7962 -4.7962 -4.6678 -4.6678 -4.5706 -4.5706 -4.5649 -4.5649 -3.0226 -3.0226 -2.9389 -2.9389 4.2978 4.2978 4.4873 4.4873 4.7518 4.7518 5.1218 5.1218 5.2299 5.2299 5.6374 5.6374 8.4650 8.4650 8.5271 8.5271 9.8724 9.8724 9.9265 9.9265 10.7452 10.7457 k = 0.3333 0.5774 0.0724 ( 4941 PWs) bands (ev): -21.5705 -21.5705 -21.4927 -21.4927 -20.6651 -20.6651 -20.6650 -20.6650 -6.5381 -6.5381 -6.3016 -6.3016 -5.9023 -5.9023 -5.7856 -5.7856 -5.4085 -5.4085 -5.3788 -5.3788 -5.2579 -5.2579 -5.1634 -5.1634 -4.7983 -4.7983 -4.6665 -4.6665 -4.5715 -4.5715 -4.5651 -4.5651 -3.0190 -3.0190 -2.9355 -2.9355 4.2922 4.2922 4.4882 4.4882 4.7420 4.7420 5.1235 5.1235 5.2217 5.2217 5.6242 5.6242 8.4937 8.4937 8.5472 8.5472 9.8889 9.8889 9.9421 9.9421 10.7610 10.7610 k = 0.3333 0.5774 0.0906 ( 4941 PWs) bands (ev): -21.5696 -21.5696 -21.4936 -21.4936 -20.6651 -20.6651 -20.6650 -20.6650 -6.5323 -6.5323 -6.3019 -6.3019 -5.9038 -5.9038 -5.7863 -5.7863 -5.4070 -5.4070 -5.3833 -5.3833 -5.2604 -5.2604 -5.1641 -5.1641 -4.8009 -4.8009 -4.6649 -4.6649 -4.5726 -4.5726 -4.5652 -4.5652 -3.0145 -3.0145 -2.9313 -2.9313 4.2850 4.2850 4.4886 4.4886 4.7308 4.7308 5.1254 5.1254 5.2116 5.2116 5.6077 5.6077 8.5290 8.5290 8.5738 8.5738 9.9098 9.9098 9.9617 9.9617 10.7780 10.7780 k = 0.3333 0.5774 0.1087 ( 4944 PWs) bands (ev): -21.5685 -21.5685 -21.4947 -21.4947 -20.6651 -20.6651 -20.6650 -20.6650 -6.5254 -6.5254 -6.3022 -6.3022 -5.9056 -5.9056 -5.7872 -5.7872 -5.4052 -5.4052 -5.3890 -5.3890 -5.2632 -5.2632 -5.1648 -5.1648 -4.8038 -4.8038 -4.6631 -4.6631 -4.5739 -4.5739 -4.5654 -4.5654 -3.0093 -3.0093 -2.9264 -2.9264 4.2765 4.2765 4.4879 4.4879 4.7193 4.7193 5.1275 5.1275 5.2001 5.2001 5.5883 5.5883 8.5693 8.5693 8.6083 8.6083 9.9347 9.9347 9.9852 9.9852 10.7743 10.7743 k = 0.3333 0.5774 0.1268 ( 4938 PWs) bands (ev): -21.5672 -21.5672 -21.4960 -21.4960 -20.6651 -20.6651 -20.6650 -20.6650 -6.5175 -6.5175 -6.3026 -6.3026 -5.9077 -5.9077 -5.7881 -5.7881 -5.4032 -5.4032 -5.3957 -5.3957 -5.2661 -5.2661 -5.1657 -5.1657 -4.8069 -4.8069 -4.6613 -4.6613 -4.5754 -4.5754 -4.5656 -4.5656 -3.0033 -3.0033 -2.9208 -2.9208 4.2666 4.2666 4.4854 4.4854 4.7086 4.7086 5.1296 5.1296 5.1873 5.1873 5.5664 5.5664 8.6118 8.6118 8.6527 8.6527 9.9634 9.9634 10.0124 10.0124 10.7340 10.7340 k = 0.3333 0.5774 0.1449 ( 4947 PWs) bands (ev): -21.5657 -21.5657 -21.4975 -21.4975 -20.6651 -20.6651 -20.6650 -20.6650 -6.5086 -6.5086 -6.3031 -6.3031 -5.9099 -5.9099 -5.7892 -5.7892 -5.4036 -5.4036 -5.4010 -5.4010 -5.2690 -5.2690 -5.1668 -5.1668 -4.8101 -4.8101 -4.6594 -4.6594 -4.5770 -4.5770 -4.5658 -4.5658 -2.9968 -2.9968 -2.9147 -2.9147 4.2555 4.2555 4.4803 4.4803 4.6999 4.6999 5.1316 5.1316 5.1739 5.1739 5.5425 5.5425 8.6554 8.6554 8.7075 8.7075 9.9956 9.9956 10.0429 10.0429 10.6855 10.6855 k = 0.3333 0.5774 0.1630 ( 4962 PWs) bands (ev): -21.5641 -21.5641 -21.4992 -21.4992 -20.6651 -20.6651 -20.6651 -20.6651 -6.4990 -6.4990 -6.3036 -6.3036 -5.9123 -5.9123 -5.7902 -5.7902 -5.4125 -5.4125 -5.3985 -5.3985 -5.2719 -5.2719 -5.1679 -5.1679 -4.8134 -4.8134 -4.6575 -4.6575 -4.5787 -4.5787 -4.5660 -4.5660 -2.9898 -2.9898 -2.9081 -2.9081 4.2435 4.2435 4.4721 4.4721 4.6942 4.6942 5.1335 5.1335 5.1600 5.1600 5.5169 5.5169 8.7012 8.7012 8.7709 8.7709 10.0311 10.0311 10.0766 10.0766 10.6320 10.6320 k = 0.3333 0.5774 0.1811 ( 4959 PWs) bands (ev): -21.5623 -21.5623 -21.5011 -21.5011 -20.6651 -20.6651 -20.6651 -20.6651 -6.4886 -6.4886 -6.3042 -6.3042 -5.9148 -5.9148 -5.7913 -5.7913 -5.4224 -5.4224 -5.3960 -5.3960 -5.2746 -5.2746 -5.1692 -5.1692 -4.8166 -4.8166 -4.6556 -4.6556 -4.5805 -4.5805 -4.5662 -4.5662 -2.9825 -2.9825 -2.9013 -2.9013 4.2307 4.2307 4.4607 4.4607 4.6922 4.6922 5.1353 5.1353 5.1460 5.1460 5.4901 5.4901 8.7502 8.7502 8.8413 8.8413 10.0696 10.0696 10.1132 10.1132 10.5743 10.5743 k = 0.3333 0.5774 0.1992 ( 4959 PWs) bands (ev): -21.5604 -21.5604 -21.5031 -21.5031 -20.6651 -20.6651 -20.6651 -20.6651 -6.4778 -6.4778 -6.3048 -6.3048 -5.9172 -5.9172 -5.7924 -5.7924 -5.4330 -5.4330 -5.3933 -5.3933 -5.2772 -5.2772 -5.1705 -5.1705 -4.8197 -4.8197 -4.6539 -4.6539 -4.5823 -4.5823 -4.5664 -4.5664 -2.9751 -2.9751 -2.8943 -2.8943 4.2174 4.2174 4.4463 4.4463 4.6938 4.6938 5.1324 5.1324 5.1370 5.1370 5.4626 5.4626 8.8027 8.8027 8.9174 8.9174 10.1109 10.1109 10.1526 10.1526 10.5132 10.5132 k = 0.3333 0.5774 0.2173 ( 4953 PWs) bands (ev): -21.5583 -21.5583 -21.5052 -21.5052 -20.6651 -20.6651 -20.6650 -20.6650 -6.4666 -6.4666 -6.3055 -6.3055 -5.9197 -5.9197 -5.7933 -5.7933 -5.4442 -5.4442 -5.3906 -5.3906 -5.2795 -5.2795 -5.1718 -5.1718 -4.8226 -4.8226 -4.6522 -4.6522 -4.5840 -4.5840 -4.5666 -4.5666 -2.9677 -2.9677 -2.8873 -2.8873 4.2039 4.2039 4.4297 4.4297 4.6987 4.6987 5.1192 5.1192 5.1384 5.1384 5.4347 5.4347 8.8587 8.8587 8.9982 8.9982 10.1549 10.1549 10.1947 10.1947 10.4495 10.4495 k = 0.3333 0.5774 0.2354 ( 4959 PWs) bands (ev): -21.5561 -21.5561 -21.5075 -21.5075 -20.6651 -20.6651 -20.6651 -20.6651 -6.4553 -6.4553 -6.3063 -6.3063 -5.9221 -5.9221 -5.7943 -5.7943 -5.4557 -5.4557 -5.3880 -5.3880 -5.2815 -5.2815 -5.1732 -5.1732 -4.8253 -4.8253 -4.6507 -4.6507 -4.5857 -4.5857 -4.5668 -4.5668 -2.9604 -2.9604 -2.8805 -2.8805 4.1904 4.1904 4.4118 4.4118 4.7062 4.7062 5.1069 5.1069 5.1397 5.1397 5.4070 5.4070 8.9180 8.9180 9.0830 9.0830 10.2014 10.2014 10.2393 10.2393 10.3838 10.3838 k = 0.3333 0.5774 0.2536 ( 4965 PWs) bands (ev): -21.5537 -21.5537 -21.5099 -21.5099 -20.6651 -20.6651 -20.6651 -20.6651 -6.4441 -6.4441 -6.3071 -6.3071 -5.9244 -5.9244 -5.7952 -5.7952 -5.4673 -5.4673 -5.3854 -5.3854 -5.2833 -5.2833 -5.1746 -5.1746 -4.8278 -4.8278 -4.6494 -4.6494 -4.5874 -4.5874 -4.5670 -4.5670 -2.9535 -2.9535 -2.8739 -2.8739 4.1772 4.1772 4.3936 4.3936 4.7156 4.7156 5.0955 5.0955 5.1409 5.1409 5.3799 5.3799 8.9803 8.9803 9.1706 9.1706 10.2503 10.2503 10.2855 10.2855 10.3179 10.3179 k = 0.3333 0.5774 0.2717 ( 4953 PWs) bands (ev): -21.5512 -21.5512 -21.5124 -21.5124 -20.6651 -20.6651 -20.6650 -20.6650 -6.4333 -6.4333 -6.3080 -6.3080 -5.9265 -5.9265 -5.7959 -5.7959 -5.4785 -5.4785 -5.3829 -5.3829 -5.2849 -5.2849 -5.1760 -5.1760 -4.8301 -4.8301 -4.6482 -4.6482 -4.5889 -4.5889 -4.5672 -4.5672 -2.9469 -2.9469 -2.8677 -2.8677 4.1647 4.1647 4.3758 4.3758 4.7262 4.7262 5.0852 5.0852 5.1420 5.1420 5.3539 5.3539 9.0453 9.0453 9.2597 9.2597 10.2502 10.2502 10.3016 10.3016 10.3363 10.3363 k = 0.3333 0.5774 0.2898 ( 4965 PWs) bands (ev): -21.5487 -21.5487 -21.5150 -21.5150 -20.6651 -20.6651 -20.6651 -20.6651 -6.4231 -6.4231 -6.3090 -6.3090 -5.9285 -5.9285 -5.7966 -5.7966 -5.4892 -5.4892 -5.3806 -5.3806 -5.2862 -5.2862 -5.1773 -5.1773 -4.8320 -4.8320 -4.6472 -4.6472 -4.5902 -4.5902 -4.5673 -4.5673 -2.9410 -2.9410 -2.8621 -2.8621 4.1531 4.1531 4.3591 4.3591 4.7373 4.7373 5.0762 5.0762 5.1430 5.1430 5.3294 5.3294 9.1123 9.1123 9.3483 9.3483 10.1865 10.1865 10.3550 10.3550 10.3877 10.3877 k = 0.3333 0.5774 0.3079 ( 4965 PWs) bands (ev): -21.5460 -21.5460 -21.5177 -21.5177 -20.6651 -20.6651 -20.6651 -20.6651 -6.4137 -6.4137 -6.3100 -6.3100 -5.9302 -5.9302 -5.7971 -5.7971 -5.4989 -5.4989 -5.3786 -5.3786 -5.2873 -5.2873 -5.1784 -5.1784 -4.8337 -4.8337 -4.6463 -4.6463 -4.5914 -4.5914 -4.5674 -4.5674 -2.9357 -2.9357 -2.8571 -2.8571 4.1428 4.1428 4.3441 4.3441 4.7484 4.7484 5.0684 5.0684 5.1439 5.1439 5.3071 5.3071 9.1809 9.1809 9.4329 9.4329 10.1283 10.1283 10.4104 10.4104 10.4412 10.4412 k = 0.3333 0.5774 0.3260 ( 4959 PWs) bands (ev): -21.5433 -21.5433 -21.5204 -21.5204 -20.6651 -20.6651 -20.6650 -20.6650 -6.4055 -6.4055 -6.3109 -6.3109 -5.9316 -5.9316 -5.7976 -5.7976 -5.5074 -5.5074 -5.3768 -5.3768 -5.2881 -5.2881 -5.1795 -5.1795 -4.8351 -4.8351 -4.6456 -4.6456 -4.5924 -4.5924 -4.5675 -4.5675 -2.9313 -2.9313 -2.8529 -2.8529 4.1339 4.1339 4.3312 4.3312 4.7587 4.7587 5.0621 5.0621 5.1448 5.1448 5.2875 5.2875 9.2502 9.2502 9.5074 9.5074 10.0820 10.0820 10.4677 10.4677 10.4966 10.4966 k = 0.3333 0.5774 0.3441 ( 4965 PWs) bands (ev): -21.5405 -21.5405 -21.5233 -21.5233 -20.6651 -20.6651 -20.6651 -20.6651 -6.3987 -6.3987 -6.3118 -6.3118 -5.9328 -5.9328 -5.7979 -5.7979 -5.5143 -5.5143 -5.3754 -5.3754 -5.2888 -5.2888 -5.1803 -5.1803 -4.8361 -4.8361 -4.6450 -4.6450 -4.5932 -4.5932 -4.5676 -4.5676 -2.9277 -2.9277 -2.8495 -2.8495 4.1268 4.1268 4.3209 4.3209 4.7676 4.7676 5.0571 5.0571 5.1455 5.1455 5.2712 5.2712 9.3189 9.3189 9.5615 9.5615 10.0579 10.0579 10.4728 10.4728 10.5267 10.5267 k = 0.3333 0.5774 0.3622 ( 4968 PWs) bands (ev): -21.5376 -21.5376 -21.5261 -21.5261 -20.6651 -20.6651 -20.6651 -20.6651 -6.3936 -6.3936 -6.3126 -6.3126 -5.9336 -5.9336 -5.7981 -5.7981 -5.5195 -5.5195 -5.3744 -5.3744 -5.2893 -5.2893 -5.1809 -5.1809 -4.8369 -4.8369 -4.6446 -4.6446 -4.5938 -4.5938 -4.5676 -4.5676 -2.9251 -2.9251 -2.8471 -2.8471 4.1216 4.1216 4.3133 4.3133 4.7745 4.7745 5.0535 5.0535 5.1462 5.1462 5.2589 5.2589 9.3850 9.3850 9.5836 9.5836 10.0681 10.0681 10.3748 10.3748 10.5868 10.5868 k = 0.3333 0.5774 0.3803 ( 4977 PWs) bands (ev): -21.5348 -21.5348 -21.5290 -21.5290 -20.6651 -20.6651 -20.6651 -20.6651 -6.3904 -6.3904 -6.3131 -6.3131 -5.9341 -5.9341 -5.7982 -5.7982 -5.5227 -5.5227 -5.3738 -5.3738 -5.2896 -5.2896 -5.1813 -5.1813 -4.8374 -4.8374 -4.6444 -4.6444 -4.5941 -4.5941 -4.5677 -4.5677 -2.9235 -2.9235 -2.8456 -2.8456 4.1184 4.1184 4.3087 4.3087 4.7788 4.7788 5.0513 5.0513 5.1466 5.1466 5.2513 5.2513 9.4432 9.4432 9.5740 9.5740 10.1149 10.1149 10.2795 10.2795 10.6468 10.6468 k = 0.3333 0.5774 0.3984 ( 4992 PWs) bands (ev): -21.5319 -21.5319 -21.5319 -21.5319 -20.6651 -20.6651 -20.6651 -20.6651 -6.3894 -6.3894 -6.3133 -6.3133 -5.9343 -5.9343 -5.7983 -5.7983 -5.5238 -5.5238 -5.3736 -5.3736 -5.2897 -5.2897 -5.1814 -5.1814 -4.8375 -4.8375 -4.6443 -4.6443 -4.5943 -4.5943 -4.5677 -4.5677 -2.9230 -2.9230 -2.8451 -2.8451 4.1173 4.1173 4.3071 4.3071 4.7804 4.7804 5.0506 5.0506 5.1468 5.1468 5.2487 5.2487 9.4733 9.4733 9.5587 9.5587 10.1768 10.1768 10.2026 10.2026 10.6912 10.6913 Writing output data file Rb2Te.save init_run : 0.47s CPU 0.58s WALL ( 1 calls) electrons : 218.53s CPU 221.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 218.52s CPU 221.71s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.09s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 251 calls) cegterg : 200.12s CPU 202.69s WALL ( 503 calls) Called by sum_band: Called by *egterg: h_psi : 104.70s CPU 107.41s WALL ( 7417 calls) s_psi : 6.80s CPU 6.58s WALL ( 7417 calls) g_psi : 0.14s CPU 0.13s WALL ( 6663 calls) cdiaghg : 86.63s CPU 86.59s WALL ( 6914 calls) cegterg:over : 6.82s CPU 7.18s WALL ( 6663 calls) cegterg:upda : 3.82s CPU 3.99s WALL ( 6663 calls) cegterg:last : 2.16s CPU 2.14s WALL ( 1005 calls) cdiaghg:chol : 3.69s CPU 3.53s WALL ( 6914 calls) cdiaghg:inve : 2.04s CPU 2.03s WALL ( 6914 calls) cdiaghg:para : 4.89s CPU 4.81s WALL ( 13828 calls) Called by h_psi: h_psi:vloc : 90.22s CPU 92.63s WALL ( 7417 calls) h_psi:vnl : 14.33s CPU 14.64s WALL ( 7417 calls) add_vuspsi : 7.63s CPU 7.98s WALL ( 7417 calls) General routines calbec : 6.68s CPU 6.64s WALL ( 7417 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 87.33s CPU 89.59s WALL ( 761284 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.21s WALL ( 502 calls) Parallel routines fft_scatter : 59.38s CPU 61.33s WALL ( 761307 calls) PWSCF : 4m 2.87s CPU 4m49.14s WALL This run was terminated on: 9: 2:32 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=