Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:34:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ca3AsN.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 57 33 9 1973 855 135 Max 58 34 10 1978 872 140 Sum 2077 1201 349 71111 31031 4945 bravais-lattice index = 14 lattice parameter (alat) = 9.0140 a.u. unit-cell volume = 732.4056 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.013993 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Ca 10.00 40.07800 Ca( 1.00) N 5.00 14.00670 N( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -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 = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 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 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 257 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0038911 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0038911 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0038911 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0038911 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0038911 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0038911 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0038911 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0038911 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0038911 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0038911 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0038911 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0038911 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0038911 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0038911 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0038911 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0038911 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0038911 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0038911 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0038911 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0038911 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0038911 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0038911 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0038911 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0038911 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0038911 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0038911 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0038911 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0038911 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0038911 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0038911 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0038911 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0038911 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038911 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038911 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0038911 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0038911 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0038911 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0038911 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0038911 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0038911 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0038911 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0038911 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0038911 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0038911 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0038911 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0038911 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0038911 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0038911 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0038911 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0038911 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0038911 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0038911 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0038911 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0038911 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0038911 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0038911 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0038911 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0038911 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0038911 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0038911 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0038911 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0038911 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0038911 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0038911 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0038911 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0038911 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038911 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038911 k( 70) = ( 0.4893617 0.4893617 -0.0000000), wk = 0.0038911 k( 71) = ( 0.4787234 0.4787234 -0.0000000), wk = 0.0038911 k( 72) = ( 0.4680851 0.4680851 -0.0000000), wk = 0.0038911 k( 73) = ( 0.4574468 0.4574468 -0.0000000), wk = 0.0038911 k( 74) = ( 0.4468085 0.4468085 -0.0000000), wk = 0.0038911 k( 75) = ( 0.4361702 0.4361702 -0.0000000), wk = 0.0038911 k( 76) = ( 0.4255319 0.4255319 -0.0000000), wk = 0.0038911 k( 77) = ( 0.4148936 0.4148936 -0.0000000), wk = 0.0038911 k( 78) = ( 0.4042553 0.4042553 -0.0000000), wk = 0.0038911 k( 79) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0038911 k( 80) = ( 0.3829787 0.3829787 -0.0000000), wk = 0.0038911 k( 81) = ( 0.3723404 0.3723404 -0.0000000), wk = 0.0038911 k( 82) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0038911 k( 83) = ( 0.3510638 0.3510638 -0.0000000), wk = 0.0038911 k( 84) = ( 0.3404255 0.3404255 -0.0000000), wk = 0.0038911 k( 85) = ( 0.3297872 0.3297872 -0.0000000), wk = 0.0038911 k( 86) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0038911 k( 87) = ( 0.3085106 0.3085106 -0.0000000), wk = 0.0038911 k( 88) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0038911 k( 89) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0038911 k( 90) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0038911 k( 91) = ( 0.2659574 0.2659574 -0.0000000), wk = 0.0038911 k( 92) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0038911 k( 93) = ( 0.2446809 0.2446808 -0.0000000), wk = 0.0038911 k( 94) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0038911 k( 95) = ( 0.2234043 0.2234043 -0.0000000), wk = 0.0038911 k( 96) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0038911 k( 97) = ( 0.2021277 0.2021277 -0.0000000), wk = 0.0038911 k( 98) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0038911 k( 99) = ( 0.1808511 0.1808511 -0.0000000), wk = 0.0038911 k( 100) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0038911 k( 101) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0038911 k( 102) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0038911 k( 103) = ( 0.1382979 0.1382979 -0.0000000), wk = 0.0038911 k( 104) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0038911 k( 105) = ( 0.1170213 0.1170213 -0.0000000), wk = 0.0038911 k( 106) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0038911 k( 107) = ( 0.0957447 0.0957447 -0.0000000), wk = 0.0038911 k( 108) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0038911 k( 109) = ( 0.0744681 0.0744681 -0.0000000), wk = 0.0038911 k( 110) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0038911 k( 111) = ( 0.0531915 0.0531915 -0.0000000), wk = 0.0038911 k( 112) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0038911 k( 113) = ( 0.0319149 0.0319149 -0.0000000), wk = 0.0038911 k( 114) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0038911 k( 115) = ( 0.0106383 0.0106383 -0.0000000), wk = 0.0038911 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 118) = ( 0.0086207 0.0086207 0.0086207), wk = 0.0038911 k( 119) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0038911 k( 120) = ( 0.0258621 0.0258621 0.0258621), wk = 0.0038911 k( 121) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0038911 k( 122) = ( 0.0431035 0.0431034 0.0431034), wk = 0.0038911 k( 123) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0038911 k( 124) = ( 0.0603448 0.0603448 0.0603448), wk = 0.0038911 k( 125) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0038911 k( 126) = ( 0.0775862 0.0775862 0.0775862), wk = 0.0038911 k( 127) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0038911 k( 128) = ( 0.0948276 0.0948276 0.0948276), wk = 0.0038911 k( 129) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0038911 k( 130) = ( 0.1120690 0.1120690 0.1120690), wk = 0.0038911 k( 131) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0038911 k( 132) = ( 0.1293103 0.1293103 0.1293103), wk = 0.0038911 k( 133) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0038911 k( 134) = ( 0.1465517 0.1465517 0.1465517), wk = 0.0038911 k( 135) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0038911 k( 136) = ( 0.1637931 0.1637931 0.1637931), wk = 0.0038911 k( 137) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0038911 k( 138) = ( 0.1810345 0.1810345 0.1810345), wk = 0.0038911 k( 139) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0038911 k( 140) = ( 0.1982759 0.1982759 0.1982759), wk = 0.0038911 k( 141) = ( 0.2068966 0.2068965 0.2068965), wk = 0.0038911 k( 142) = ( 0.2155172 0.2155172 0.2155172), wk = 0.0038911 k( 143) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0038911 k( 144) = ( 0.2327586 0.2327586 0.2327586), wk = 0.0038911 k( 145) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0038911 k( 146) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038911 k( 147) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0038911 k( 148) = ( 0.2672414 0.2672414 0.2672414), wk = 0.0038911 k( 149) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0038911 k( 150) = ( 0.2844828 0.2844828 0.2844828), wk = 0.0038911 k( 151) = ( 0.2931034 0.2931034 0.2931034), wk = 0.0038911 k( 152) = ( 0.3017241 0.3017241 0.3017241), wk = 0.0038911 k( 153) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0038911 k( 154) = ( 0.3189655 0.3189655 0.3189655), wk = 0.0038911 k( 155) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0038911 k( 156) = ( 0.3362069 0.3362069 0.3362069), wk = 0.0038911 k( 157) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0038911 k( 158) = ( 0.3534483 0.3534483 0.3534483), wk = 0.0038911 k( 159) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0038911 k( 160) = ( 0.3706897 0.3706897 0.3706897), wk = 0.0038911 k( 161) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0038911 k( 162) = ( 0.3879310 0.3879310 0.3879310), wk = 0.0038911 k( 163) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0038911 k( 164) = ( 0.4051724 0.4051724 0.4051724), wk = 0.0038911 k( 165) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0038911 k( 166) = ( 0.4224138 0.4224138 0.4224138), wk = 0.0038911 k( 167) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0038911 k( 168) = ( 0.4396552 0.4396552 0.4396552), wk = 0.0038911 k( 169) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0038911 k( 170) = ( 0.4568966 0.4568965 0.4568965), wk = 0.0038911 k( 171) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0038911 k( 172) = ( 0.4741379 0.4741379 0.4741379), wk = 0.0038911 k( 173) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0038911 k( 174) = ( 0.4913793 0.4913793 0.4913793), wk = 0.0038911 k( 175) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038911 k( 176) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038911 k( 177) = ( 0.4893617 0.5000000 0.4893617), wk = 0.0038911 k( 178) = ( 0.4787234 0.5000000 0.4787234), wk = 0.0038911 k( 179) = ( 0.4680851 0.5000000 0.4680851), wk = 0.0038911 k( 180) = ( 0.4574468 0.5000000 0.4574468), wk = 0.0038911 k( 181) = ( 0.4468085 0.5000000 0.4468085), wk = 0.0038911 k( 182) = ( 0.4361702 0.5000000 0.4361702), wk = 0.0038911 k( 183) = ( 0.4255319 0.5000000 0.4255319), wk = 0.0038911 k( 184) = ( 0.4148936 0.5000000 0.4148936), wk = 0.0038911 k( 185) = ( 0.4042553 0.5000000 0.4042553), wk = 0.0038911 k( 186) = ( 0.3936170 0.5000000 0.3936170), wk = 0.0038911 k( 187) = ( 0.3829787 0.5000000 0.3829787), wk = 0.0038911 k( 188) = ( 0.3723404 0.5000000 0.3723404), wk = 0.0038911 k( 189) = ( 0.3617021 0.5000000 0.3617021), wk = 0.0038911 k( 190) = ( 0.3510638 0.5000000 0.3510638), wk = 0.0038911 k( 191) = ( 0.3404255 0.5000000 0.3404255), wk = 0.0038911 k( 192) = ( 0.3297872 0.5000000 0.3297872), wk = 0.0038911 k( 193) = ( 0.3191489 0.5000000 0.3191489), wk = 0.0038911 k( 194) = ( 0.3085106 0.5000000 0.3085106), wk = 0.0038911 k( 195) = ( 0.2978723 0.5000000 0.2978723), wk = 0.0038911 k( 196) = ( 0.2872340 0.5000000 0.2872340), wk = 0.0038911 k( 197) = ( 0.2765957 0.5000000 0.2765957), wk = 0.0038911 k( 198) = ( 0.2659574 0.5000000 0.2659574), wk = 0.0038911 k( 199) = ( 0.2553191 0.5000000 0.2553191), wk = 0.0038911 k( 200) = ( 0.2446809 0.5000000 0.2446808), wk = 0.0038911 k( 201) = ( 0.2340425 0.5000000 0.2340425), wk = 0.0038911 k( 202) = ( 0.2234043 0.5000000 0.2234043), wk = 0.0038911 k( 203) = ( 0.2127660 0.5000000 0.2127660), wk = 0.0038911 k( 204) = ( 0.2021277 0.5000000 0.2021277), wk = 0.0038911 k( 205) = ( 0.1914894 0.5000000 0.1914894), wk = 0.0038911 k( 206) = ( 0.1808511 0.5000000 0.1808511), wk = 0.0038911 k( 207) = ( 0.1702128 0.5000000 0.1702128), wk = 0.0038911 k( 208) = ( 0.1595745 0.5000000 0.1595745), wk = 0.0038911 k( 209) = ( 0.1489362 0.5000000 0.1489362), wk = 0.0038911 k( 210) = ( 0.1382979 0.5000000 0.1382979), wk = 0.0038911 k( 211) = ( 0.1276596 0.5000000 0.1276596), wk = 0.0038911 k( 212) = ( 0.1170213 0.5000000 0.1170213), wk = 0.0038911 k( 213) = ( 0.1063830 0.5000000 0.1063830), wk = 0.0038911 k( 214) = ( 0.0957447 0.5000000 0.0957447), wk = 0.0038911 k( 215) = ( 0.0851064 0.5000000 0.0851064), wk = 0.0038911 k( 216) = ( 0.0744681 0.5000000 0.0744681), wk = 0.0038911 k( 217) = ( 0.0638298 0.5000000 0.0638298), wk = 0.0038911 k( 218) = ( 0.0531915 0.5000000 0.0531915), wk = 0.0038911 k( 219) = ( 0.0425532 0.5000000 0.0425532), wk = 0.0038911 k( 220) = ( 0.0319149 0.5000000 0.0319149), wk = 0.0038911 k( 221) = ( 0.0212766 0.5000000 0.0212766), wk = 0.0038911 k( 222) = ( 0.0106383 0.5000000 0.0106383), wk = 0.0038911 k( 223) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038911 k( 224) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038911 k( 225) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0038911 k( 226) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0038911 k( 227) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0038911 k( 228) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0038911 k( 229) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0038911 k( 230) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0038911 k( 231) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0038911 k( 232) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0038911 k( 233) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0038911 k( 234) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0038911 k( 235) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0038911 k( 236) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0038911 k( 237) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0038911 k( 238) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0038911 k( 239) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0038911 k( 240) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0038911 k( 241) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0038911 k( 242) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0038911 k( 243) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0038911 k( 244) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0038911 k( 245) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0038911 k( 246) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0038911 k( 247) = ( 0.5000000 0.5000000 0.3484848), wk = 0.0038911 k( 248) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0038911 k( 249) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0038911 k( 250) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0038911 k( 251) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0038911 k( 252) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0038911 k( 253) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0038911 k( 254) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0038911 k( 255) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0038911 k( 256) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0038911 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038911 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0038911 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0038911 k( 4) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0038911 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0038911 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0038911 k( 7) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0038911 k( 8) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0038911 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0038911 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0038911 k( 11) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0038911 k( 12) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0038911 k( 13) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0038911 k( 14) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0038911 k( 15) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0038911 k( 16) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0038911 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0038911 k( 18) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0038911 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0038911 k( 20) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0038911 k( 21) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0038911 k( 22) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0038911 k( 23) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0038911 k( 24) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0038911 k( 25) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0038911 k( 26) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0038911 k( 27) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0038911 k( 28) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0038911 k( 29) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0038911 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0038911 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0038911 k( 32) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0038911 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0038911 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038911 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038911 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0038911 k( 37) = ( 0.0303030 0.5000000 0.0000000), wk = 0.0038911 k( 38) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0038911 k( 39) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0038911 k( 40) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0038911 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0038911 k( 42) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0038911 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0038911 k( 44) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0038911 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0038911 k( 46) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0038911 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0038911 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0038911 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0038911 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0038911 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0038911 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0038911 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0038911 k( 54) = ( 0.2878788 0.5000000 0.0000000), wk = 0.0038911 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0038911 k( 56) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0038911 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0038911 k( 58) = ( 0.3484849 0.5000000 0.0000000), wk = 0.0038911 k( 59) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0038911 k( 60) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0038911 k( 61) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0038911 k( 62) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0038911 k( 63) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0038911 k( 64) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0038911 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0038911 k( 66) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0038911 k( 67) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0038911 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038911 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038911 k( 70) = ( 0.4893617 0.4893617 0.0000000), wk = 0.0038911 k( 71) = ( 0.4787234 0.4787234 0.0000000), wk = 0.0038911 k( 72) = ( 0.4680851 0.4680851 0.0000000), wk = 0.0038911 k( 73) = ( 0.4574468 0.4574468 0.0000000), wk = 0.0038911 k( 74) = ( 0.4468085 0.4468085 0.0000000), wk = 0.0038911 k( 75) = ( 0.4361702 0.4361702 0.0000000), wk = 0.0038911 k( 76) = ( 0.4255319 0.4255319 0.0000000), wk = 0.0038911 k( 77) = ( 0.4148936 0.4148936 0.0000000), wk = 0.0038911 k( 78) = ( 0.4042553 0.4042553 0.0000000), wk = 0.0038911 k( 79) = ( 0.3936170 0.3936170 0.0000000), wk = 0.0038911 k( 80) = ( 0.3829787 0.3829787 0.0000000), wk = 0.0038911 k( 81) = ( 0.3723404 0.3723404 0.0000000), wk = 0.0038911 k( 82) = ( 0.3617021 0.3617021 0.0000000), wk = 0.0038911 k( 83) = ( 0.3510638 0.3510638 0.0000000), wk = 0.0038911 k( 84) = ( 0.3404255 0.3404255 0.0000000), wk = 0.0038911 k( 85) = ( 0.3297872 0.3297872 0.0000000), wk = 0.0038911 k( 86) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0038911 k( 87) = ( 0.3085106 0.3085106 0.0000000), wk = 0.0038911 k( 88) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0038911 k( 89) = ( 0.2872340 0.2872340 0.0000000), wk = 0.0038911 k( 90) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0038911 k( 91) = ( 0.2659574 0.2659574 0.0000000), wk = 0.0038911 k( 92) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0038911 k( 93) = ( 0.2446809 0.2446809 0.0000000), wk = 0.0038911 k( 94) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0038911 k( 95) = ( 0.2234043 0.2234043 0.0000000), wk = 0.0038911 k( 96) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0038911 k( 97) = ( 0.2021277 0.2021277 0.0000000), wk = 0.0038911 k( 98) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0038911 k( 99) = ( 0.1808511 0.1808511 0.0000000), wk = 0.0038911 k( 100) = ( 0.1702128 0.1702128 0.0000000), wk = 0.0038911 k( 101) = ( 0.1595745 0.1595745 0.0000000), wk = 0.0038911 k( 102) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0038911 k( 103) = ( 0.1382979 0.1382979 0.0000000), wk = 0.0038911 k( 104) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0038911 k( 105) = ( 0.1170213 0.1170213 0.0000000), wk = 0.0038911 k( 106) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0038911 k( 107) = ( 0.0957447 0.0957447 0.0000000), wk = 0.0038911 k( 108) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0038911 k( 109) = ( 0.0744681 0.0744681 0.0000000), wk = 0.0038911 k( 110) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0038911 k( 111) = ( 0.0531915 0.0531915 0.0000000), wk = 0.0038911 k( 112) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0038911 k( 113) = ( 0.0319149 0.0319149 0.0000000), wk = 0.0038911 k( 114) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0038911 k( 115) = ( 0.0106383 0.0106383 0.0000000), wk = 0.0038911 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 118) = ( 0.0086207 0.0086207 0.0086207), wk = 0.0038911 k( 119) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0038911 k( 120) = ( 0.0258621 0.0258621 0.0258621), wk = 0.0038911 k( 121) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0038911 k( 122) = ( 0.0431035 0.0431035 0.0431035), wk = 0.0038911 k( 123) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0038911 k( 124) = ( 0.0603448 0.0603448 0.0603448), wk = 0.0038911 k( 125) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0038911 k( 126) = ( 0.0775862 0.0775862 0.0775862), wk = 0.0038911 k( 127) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0038911 k( 128) = ( 0.0948276 0.0948276 0.0948276), wk = 0.0038911 k( 129) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0038911 k( 130) = ( 0.1120690 0.1120690 0.1120690), wk = 0.0038911 k( 131) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0038911 k( 132) = ( 0.1293103 0.1293103 0.1293103), wk = 0.0038911 k( 133) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0038911 k( 134) = ( 0.1465517 0.1465517 0.1465517), wk = 0.0038911 k( 135) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0038911 k( 136) = ( 0.1637931 0.1637931 0.1637931), wk = 0.0038911 k( 137) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0038911 k( 138) = ( 0.1810345 0.1810345 0.1810345), wk = 0.0038911 k( 139) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0038911 k( 140) = ( 0.1982759 0.1982759 0.1982759), wk = 0.0038911 k( 141) = ( 0.2068966 0.2068966 0.2068966), wk = 0.0038911 k( 142) = ( 0.2155172 0.2155172 0.2155172), wk = 0.0038911 k( 143) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0038911 k( 144) = ( 0.2327586 0.2327586 0.2327586), wk = 0.0038911 k( 145) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0038911 k( 146) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038911 k( 147) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0038911 k( 148) = ( 0.2672414 0.2672414 0.2672414), wk = 0.0038911 k( 149) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0038911 k( 150) = ( 0.2844828 0.2844828 0.2844828), wk = 0.0038911 k( 151) = ( 0.2931034 0.2931034 0.2931034), wk = 0.0038911 k( 152) = ( 0.3017241 0.3017241 0.3017241), wk = 0.0038911 k( 153) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0038911 k( 154) = ( 0.3189655 0.3189655 0.3189655), wk = 0.0038911 k( 155) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0038911 k( 156) = ( 0.3362069 0.3362069 0.3362069), wk = 0.0038911 k( 157) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0038911 k( 158) = ( 0.3534483 0.3534483 0.3534483), wk = 0.0038911 k( 159) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0038911 k( 160) = ( 0.3706897 0.3706897 0.3706897), wk = 0.0038911 k( 161) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0038911 k( 162) = ( 0.3879310 0.3879310 0.3879310), wk = 0.0038911 k( 163) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0038911 k( 164) = ( 0.4051724 0.4051724 0.4051724), wk = 0.0038911 k( 165) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0038911 k( 166) = ( 0.4224138 0.4224138 0.4224138), wk = 0.0038911 k( 167) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0038911 k( 168) = ( 0.4396552 0.4396552 0.4396552), wk = 0.0038911 k( 169) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0038911 k( 170) = ( 0.4568966 0.4568966 0.4568966), wk = 0.0038911 k( 171) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0038911 k( 172) = ( 0.4741379 0.4741379 0.4741379), wk = 0.0038911 k( 173) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0038911 k( 174) = ( 0.4913793 0.4913793 0.4913793), wk = 0.0038911 k( 175) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038911 k( 176) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038911 k( 177) = ( 0.4893617 0.5000000 0.4893617), wk = 0.0038911 k( 178) = ( 0.4787234 0.5000000 0.4787234), wk = 0.0038911 k( 179) = ( 0.4680851 0.5000000 0.4680851), wk = 0.0038911 k( 180) = ( 0.4574468 0.5000000 0.4574468), wk = 0.0038911 k( 181) = ( 0.4468085 0.5000000 0.4468085), wk = 0.0038911 k( 182) = ( 0.4361702 0.5000000 0.4361702), wk = 0.0038911 k( 183) = ( 0.4255319 0.5000000 0.4255319), wk = 0.0038911 k( 184) = ( 0.4148936 0.5000000 0.4148936), wk = 0.0038911 k( 185) = ( 0.4042553 0.5000000 0.4042553), wk = 0.0038911 k( 186) = ( 0.3936170 0.5000000 0.3936170), wk = 0.0038911 k( 187) = ( 0.3829787 0.5000000 0.3829787), wk = 0.0038911 k( 188) = ( 0.3723404 0.5000000 0.3723404), wk = 0.0038911 k( 189) = ( 0.3617021 0.5000000 0.3617021), wk = 0.0038911 k( 190) = ( 0.3510638 0.5000000 0.3510638), wk = 0.0038911 k( 191) = ( 0.3404255 0.5000000 0.3404255), wk = 0.0038911 k( 192) = ( 0.3297872 0.5000000 0.3297872), wk = 0.0038911 k( 193) = ( 0.3191489 0.5000000 0.3191489), wk = 0.0038911 k( 194) = ( 0.3085106 0.5000000 0.3085106), wk = 0.0038911 k( 195) = ( 0.2978723 0.5000000 0.2978723), wk = 0.0038911 k( 196) = ( 0.2872340 0.5000000 0.2872340), wk = 0.0038911 k( 197) = ( 0.2765957 0.5000000 0.2765957), wk = 0.0038911 k( 198) = ( 0.2659574 0.5000000 0.2659574), wk = 0.0038911 k( 199) = ( 0.2553191 0.5000000 0.2553191), wk = 0.0038911 k( 200) = ( 0.2446809 0.5000000 0.2446809), wk = 0.0038911 k( 201) = ( 0.2340425 0.5000000 0.2340425), wk = 0.0038911 k( 202) = ( 0.2234043 0.5000000 0.2234043), wk = 0.0038911 k( 203) = ( 0.2127660 0.5000000 0.2127660), wk = 0.0038911 k( 204) = ( 0.2021277 0.5000000 0.2021277), wk = 0.0038911 k( 205) = ( 0.1914894 0.5000000 0.1914894), wk = 0.0038911 k( 206) = ( 0.1808511 0.5000000 0.1808511), wk = 0.0038911 k( 207) = ( 0.1702128 0.5000000 0.1702128), wk = 0.0038911 k( 208) = ( 0.1595745 0.5000000 0.1595745), wk = 0.0038911 k( 209) = ( 0.1489362 0.5000000 0.1489362), wk = 0.0038911 k( 210) = ( 0.1382979 0.5000000 0.1382979), wk = 0.0038911 k( 211) = ( 0.1276596 0.5000000 0.1276596), wk = 0.0038911 k( 212) = ( 0.1170213 0.5000000 0.1170213), wk = 0.0038911 k( 213) = ( 0.1063830 0.5000000 0.1063830), wk = 0.0038911 k( 214) = ( 0.0957447 0.5000000 0.0957447), wk = 0.0038911 k( 215) = ( 0.0851064 0.5000000 0.0851064), wk = 0.0038911 k( 216) = ( 0.0744681 0.5000000 0.0744681), wk = 0.0038911 k( 217) = ( 0.0638298 0.5000000 0.0638298), wk = 0.0038911 k( 218) = ( 0.0531915 0.5000000 0.0531915), wk = 0.0038911 k( 219) = ( 0.0425532 0.5000000 0.0425532), wk = 0.0038911 k( 220) = ( 0.0319149 0.5000000 0.0319149), wk = 0.0038911 k( 221) = ( 0.0212766 0.5000000 0.0212766), wk = 0.0038911 k( 222) = ( 0.0106383 0.5000000 0.0106383), wk = 0.0038911 k( 223) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038911 k( 224) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038911 k( 225) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0038911 k( 226) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0038911 k( 227) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0038911 k( 228) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0038911 k( 229) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0038911 k( 230) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0038911 k( 231) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0038911 k( 232) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0038911 k( 233) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0038911 k( 234) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0038911 k( 235) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0038911 k( 236) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0038911 k( 237) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0038911 k( 238) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0038911 k( 239) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0038911 k( 240) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0038911 k( 241) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0038911 k( 242) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0038911 k( 243) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0038911 k( 244) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0038911 k( 245) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0038911 k( 246) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0038911 k( 247) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0038911 k( 248) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0038911 k( 249) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0038911 k( 250) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0038911 k( 251) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0038911 k( 252) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0038911 k( 253) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0038911 k( 254) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0038911 k( 255) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0038911 k( 256) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0038911 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038911 Dense grid: 71111 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 31031 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 218, 48) NL pseudopotentials 0.22 Mb ( 109, 130) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 1978) G-vector shells 0.00 Mb ( 441) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.64 Mb ( 218, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 130, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ca3AsN.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3.6 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.0 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 6.3 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 7.7 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 9.0 secs Computing kpt #: 7 total cpu time spent up to now is 10.3 secs Computing kpt #: 8 total cpu time spent up to now is 11.4 secs Computing kpt #: 9 total cpu time spent up to now is 12.3 secs Computing kpt #: 10 total cpu time spent up to now is 13.1 secs Computing kpt #: 11 total cpu time spent up to now is 13.9 secs Computing kpt #: 12 total cpu time spent up to now is 14.7 secs Computing kpt #: 13 total cpu time spent up to now is 15.5 secs Computing kpt #: 14 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 16.8 secs Computing kpt #: 15 total cpu time spent up to now is 18.0 secs Computing kpt #: 16 total cpu time spent up to now is 19.2 secs Computing kpt #: 17 total cpu time spent up to now is 20.4 secs Computing kpt #: 18 total cpu time spent up to now is 21.3 secs Computing kpt #: 19 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 22.6 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.0 secs Computing kpt #: 21 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 25.3 secs Computing kpt #: 22 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 26.6 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 28.0 secs Computing kpt #: 24 total cpu time spent up to now is 28.8 secs Computing kpt #: 25 total cpu time spent up to now is 29.7 secs Computing kpt #: 26 total cpu time spent up to now is 30.4 secs Computing kpt #: 27 total cpu time spent up to now is 31.2 secs Computing kpt #: 28 total cpu time spent up to now is 31.9 secs Computing kpt #: 29 total cpu time spent up to now is 32.6 secs Computing kpt #: 30 total cpu time spent up to now is 33.4 secs Computing kpt #: 31 total cpu time spent up to now is 34.1 secs Computing kpt #: 32 total cpu time spent up to now is 34.8 secs Computing kpt #: 33 total cpu time spent up to now is 35.5 secs Computing kpt #: 34 total cpu time spent up to now is 36.2 secs Computing kpt #: 35 total cpu time spent up to now is 37.0 secs Computing kpt #: 36 total cpu time spent up to now is 37.7 secs Computing kpt #: 37 total cpu time spent up to now is 38.4 secs Computing kpt #: 38 total cpu time spent up to now is 39.2 secs Computing kpt #: 39 total cpu time spent up to now is 39.9 secs Computing kpt #: 40 total cpu time spent up to now is 40.6 secs Computing kpt #: 41 total cpu time spent up to now is 41.4 secs Computing kpt #: 42 total cpu time spent up to now is 42.2 secs Computing kpt #: 43 total cpu time spent up to now is 43.0 secs Computing kpt #: 44 total cpu time spent up to now is 43.8 secs Computing kpt #: 45 total cpu time spent up to now is 45.1 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 46.4 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.8 secs Computing kpt #: 48 total cpu time spent up to now is 48.7 secs Computing kpt #: 49 total cpu time spent up to now is 49.9 secs Computing kpt #: 50 total cpu time spent up to now is 50.9 secs Computing kpt #: 51 total cpu time spent up to now is 51.8 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 53.1 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 54.5 secs Computing kpt #: 54 total cpu time spent up to now is 55.7 secs Computing kpt #: 55 total cpu time spent up to now is 56.6 secs Computing kpt #: 56 total cpu time spent up to now is 57.6 secs Computing kpt #: 57 total cpu time spent up to now is 58.6 secs Computing kpt #: 58 total cpu time spent up to now is 59.5 secs Computing kpt #: 59 total cpu time spent up to now is 60.5 secs Computing kpt #: 60 total cpu time spent up to now is 61.6 secs Computing kpt #: 61 total cpu time spent up to now is 62.7 secs Computing kpt #: 62 total cpu time spent up to now is 63.6 secs Computing kpt #: 63 total cpu time spent up to now is 64.6 secs Computing kpt #: 64 total cpu time spent up to now is 65.5 secs Computing kpt #: 65 total cpu time spent up to now is 66.4 secs Computing kpt #: 66 total cpu time spent up to now is 67.4 secs Computing kpt #: 67 total cpu time spent up to now is 68.8 secs Computing kpt #: 68 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 70.2 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 71.7 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 73.1 secs Computing kpt #: 71 total cpu time spent up to now is 74.1 secs Computing kpt #: 72 total cpu time spent up to now is 75.1 secs Computing kpt #: 73 total cpu time spent up to now is 76.1 secs Computing kpt #: 74 total cpu time spent up to now is 77.0 secs Computing kpt #: 75 total cpu time spent up to now is 77.9 secs Computing kpt #: 76 total cpu time spent up to now is 78.9 secs Computing kpt #: 77 total cpu time spent up to now is 79.7 secs Computing kpt #: 78 total cpu time spent up to now is 80.6 secs Computing kpt #: 79 total cpu time spent up to now is 81.6 secs Computing kpt #: 80 total cpu time spent up to now is 82.6 secs Computing kpt #: 81 total cpu time spent up to now is 83.7 secs Computing kpt #: 82 total cpu time spent up to now is 84.7 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 86.1 secs Computing kpt #: 84 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.5 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.8 secs Computing kpt #: 86 total cpu time spent up to now is 89.7 secs Computing kpt #: 87 total cpu time spent up to now is 90.5 secs Computing kpt #: 88 total cpu time spent up to now is 91.2 secs Computing kpt #: 89 total cpu time spent up to now is 91.9 secs Computing kpt #: 90 total cpu time spent up to now is 92.7 secs Computing kpt #: 91 total cpu time spent up to now is 93.4 secs Computing kpt #: 92 total cpu time spent up to now is 94.1 secs Computing kpt #: 93 total cpu time spent up to now is 94.9 secs Computing kpt #: 94 total cpu time spent up to now is 95.6 secs Computing kpt #: 95 total cpu time spent up to now is 96.4 secs Computing kpt #: 96 total cpu time spent up to now is 97.1 secs Computing kpt #: 97 total cpu time spent up to now is 97.9 secs Computing kpt #: 98 total cpu time spent up to now is 98.6 secs Computing kpt #: 99 total cpu time spent up to now is 99.4 secs Computing kpt #: 100 total cpu time spent up to now is 100.1 secs Computing kpt #: 101 total cpu time spent up to now is 100.9 secs Computing kpt #: 102 total cpu time spent up to now is 101.7 secs Computing kpt #: 103 total cpu time spent up to now is 102.5 secs Computing kpt #: 104 total cpu time spent up to now is 103.3 secs Computing kpt #: 105 total cpu time spent up to now is 104.2 secs Computing kpt #: 106 total cpu time spent up to now is 105.0 secs Computing kpt #: 107 total cpu time spent up to now is 105.9 secs Computing kpt #: 108 total cpu time spent up to now is 106.8 secs Computing kpt #: 109 total cpu time spent up to now is 107.8 secs Computing kpt #: 110 total cpu time spent up to now is 109.1 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 110.5 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.9 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 113.2 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 114.6 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 116.0 secs Computing kpt #: 116 total cpu time spent up to now is 116.5 secs Computing kpt #: 117 total cpu time spent up to now is 117.0 secs Computing kpt #: 118 total cpu time spent up to now is 117.6 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 118.9 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.3 secs Computing kpt #: 121 total cpu time spent up to now is 121.6 secs Computing kpt #: 122 total cpu time spent up to now is 122.7 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 124.1 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 125.4 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.8 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.2 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.6 secs Computing kpt #: 128 total cpu time spent up to now is 130.4 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 131.8 secs Computing kpt #: 130 total cpu time spent up to now is 132.7 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 134.0 secs Computing kpt #: 132 total cpu time spent up to now is 134.9 secs Computing kpt #: 133 total cpu time spent up to now is 135.7 secs Computing kpt #: 134 total cpu time spent up to now is 136.5 secs Computing kpt #: 135 total cpu time spent up to now is 137.4 secs Computing kpt #: 136 total cpu time spent up to now is 138.2 secs Computing kpt #: 137 total cpu time spent up to now is 139.1 secs Computing kpt #: 138 total cpu time spent up to now is 139.9 secs Computing kpt #: 139 total cpu time spent up to now is 140.8 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 142.1 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.5 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 144.9 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 146.3 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 147.6 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.0 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 150.4 secs Computing kpt #: 147 total cpu time spent up to now is 151.4 secs Computing kpt #: 148 total cpu time spent up to now is 152.2 secs Computing kpt #: 149 total cpu time spent up to now is 153.0 secs Computing kpt #: 150 total cpu time spent up to now is 153.7 secs Computing kpt #: 151 total cpu time spent up to now is 154.3 secs Computing kpt #: 152 total cpu time spent up to now is 155.0 secs Computing kpt #: 153 total cpu time spent up to now is 155.7 secs Computing kpt #: 154 total cpu time spent up to now is 156.5 secs Computing kpt #: 155 total cpu time spent up to now is 157.2 secs Computing kpt #: 156 total cpu time spent up to now is 158.0 secs Computing kpt #: 157 total cpu time spent up to now is 158.7 secs Computing kpt #: 158 total cpu time spent up to now is 159.4 secs Computing kpt #: 159 total cpu time spent up to now is 160.1 secs Computing kpt #: 160 total cpu time spent up to now is 160.8 secs Computing kpt #: 161 total cpu time spent up to now is 161.5 secs Computing kpt #: 162 total cpu time spent up to now is 162.2 secs Computing kpt #: 163 total cpu time spent up to now is 162.9 secs Computing kpt #: 164 total cpu time spent up to now is 163.6 secs Computing kpt #: 165 total cpu time spent up to now is 164.3 secs Computing kpt #: 166 total cpu time spent up to now is 165.0 secs Computing kpt #: 167 total cpu time spent up to now is 165.7 secs Computing kpt #: 168 total cpu time spent up to now is 166.4 secs Computing kpt #: 169 total cpu time spent up to now is 167.1 secs Computing kpt #: 170 total cpu time spent up to now is 167.8 secs Computing kpt #: 171 total cpu time spent up to now is 168.5 secs Computing kpt #: 172 total cpu time spent up to now is 169.1 secs Computing kpt #: 173 total cpu time spent up to now is 169.8 secs Computing kpt #: 174 total cpu time spent up to now is 170.5 secs Computing kpt #: 175 total cpu time spent up to now is 171.1 secs Computing kpt #: 176 total cpu time spent up to now is 171.7 secs Computing kpt #: 177 total cpu time spent up to now is 172.4 secs Computing kpt #: 178 total cpu time spent up to now is 173.0 secs Computing kpt #: 179 total cpu time spent up to now is 173.6 secs Computing kpt #: 180 total cpu time spent up to now is 174.3 secs Computing kpt #: 181 total cpu time spent up to now is 175.0 secs Computing kpt #: 182 total cpu time spent up to now is 175.6 secs Computing kpt #: 183 total cpu time spent up to now is 176.3 secs Computing kpt #: 184 total cpu time spent up to now is 177.0 secs Computing kpt #: 185 total cpu time spent up to now is 177.7 secs Computing kpt #: 186 total cpu time spent up to now is 178.4 secs Computing kpt #: 187 total cpu time spent up to now is 179.1 secs Computing kpt #: 188 total cpu time spent up to now is 179.8 secs Computing kpt #: 189 total cpu time spent up to now is 180.5 secs Computing kpt #: 190 total cpu time spent up to now is 181.3 secs Computing kpt #: 191 total cpu time spent up to now is 182.4 secs Computing kpt #: 192 total cpu time spent up to now is 183.3 secs Computing kpt #: 193 total cpu time spent up to now is 184.5 secs Computing kpt #: 194 total cpu time spent up to now is 185.7 secs Computing kpt #: 195 total cpu time spent up to now is 186.9 secs Computing kpt #: 196 total cpu time spent up to now is 187.9 secs Computing kpt #: 197 total cpu time spent up to now is 188.8 secs Computing kpt #: 198 total cpu time spent up to now is 189.7 secs Computing kpt #: 199 total cpu time spent up to now is 190.5 secs Computing kpt #: 200 total cpu time spent up to now is 191.2 secs Computing kpt #: 201 total cpu time spent up to now is 192.0 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 193.4 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 194.7 secs Computing kpt #: 204 total cpu time spent up to now is 195.8 secs Computing kpt #: 205 total cpu time spent up to now is 196.8 secs Computing kpt #: 206 total cpu time spent up to now is 197.7 secs Computing kpt #: 207 total cpu time spent up to now is 198.6 secs Computing kpt #: 208 total cpu time spent up to now is 201.7 secs Computing kpt #: 209 total cpu time spent up to now is 203.0 secs Computing kpt #: 210 total cpu time spent up to now is 204.2 secs Computing kpt #: 211 total cpu time spent up to now is 205.2 secs Computing kpt #: 212 total cpu time spent up to now is 206.0 secs Computing kpt #: 213 total cpu time spent up to now is 207.2 secs Computing kpt #: 214 total cpu time spent up to now is 208.0 secs Computing kpt #: 215 total cpu time spent up to now is 208.8 secs Computing kpt #: 216 total cpu time spent up to now is 209.6 secs Computing kpt #: 217 total cpu time spent up to now is 210.3 secs Computing kpt #: 218 total cpu time spent up to now is 211.0 secs Computing kpt #: 219 total cpu time spent up to now is 211.8 secs Computing kpt #: 220 total cpu time spent up to now is 212.6 secs Computing kpt #: 221 total cpu time spent up to now is 213.3 secs Computing kpt #: 222 total cpu time spent up to now is 214.0 secs Computing kpt #: 223 total cpu time spent up to now is 214.7 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.1 secs Computing kpt #: 225 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 217.6 secs Computing kpt #: 226 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 219.0 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.4 secs Computing kpt #: 228 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 221.8 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 223.3 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 224.7 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 226.1 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 227.5 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 228.8 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 232.7 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 234.1 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 235.5 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 236.8 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 238.2 secs Computing kpt #: 239 total cpu time spent up to now is 239.1 secs Computing kpt #: 240 total cpu time spent up to now is 239.8 secs Computing kpt #: 241 total cpu time spent up to now is 240.6 secs Computing kpt #: 242 total cpu time spent up to now is 241.3 secs Computing kpt #: 243 total cpu time spent up to now is 242.1 secs Computing kpt #: 244 total cpu time spent up to now is 242.8 secs Computing kpt #: 245 total cpu time spent up to now is 243.4 secs Computing kpt #: 246 total cpu time spent up to now is 244.0 secs Computing kpt #: 247 total cpu time spent up to now is 244.7 secs Computing kpt #: 248 total cpu time spent up to now is 245.3 secs Computing kpt #: 249 total cpu time spent up to now is 246.0 secs Computing kpt #: 250 total cpu time spent up to now is 246.6 secs Computing kpt #: 251 total cpu time spent up to now is 247.3 secs Computing kpt #: 252 total cpu time spent up to now is 247.9 secs Computing kpt #: 253 total cpu time spent up to now is 248.5 secs Computing kpt #: 254 total cpu time spent up to now is 249.2 secs Computing kpt #: 255 total cpu time spent up to now is 249.9 secs Computing kpt #: 256 total cpu time spent up to now is 250.5 secs Computing kpt #: 257 total cpu time spent up to now is 251.2 secs ethr = 2.50E-08, avg # of iterations = 69.0 total cpu time spent up to now is 251.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3887 PWs) bands (ev): -32.5375 -32.5375 -32.4403 -32.4403 -32.4403 -32.4403 -13.9201 -13.9201 -13.9201 -13.9201 -13.7892 -13.7892 -13.5407 -13.5407 -13.5407 -13.5407 -13.4562 -13.4562 -13.4001 -13.4001 -13.1728 -13.1728 -13.1728 -13.1728 -4.5706 -4.5706 -1.9758 -1.9758 6.3772 6.3772 6.4764 6.4764 6.4764 6.4764 7.6538 7.6538 7.7874 7.7874 7.7874 7.7874 8.4712 8.4712 8.4712 8.4712 8.8628 8.8628 9.4793 9.4796 k = 0.0000 0.0152-0.0000 ( 3887 PWs) bands (ev): -32.5375 -32.5375 -32.4403 -32.4403 -32.4403 -32.4403 -13.9201 -13.9201 -13.9200 -13.9200 -13.7892 -13.7892 -13.5408 -13.5408 -13.5407 -13.5407 -13.4562 -13.4562 -13.4002 -13.4002 -13.1731 -13.1731 -13.1729 -13.1729 -4.5698 -4.5698 -1.9753 -1.9753 6.3751 6.3751 6.4726 6.4726 6.4764 6.4764 7.6470 7.6470 7.7750 7.7750 7.7837 7.7837 8.4730 8.4730 8.4812 8.4812 8.8748 8.8748 9.4807 9.4814 k = 0.0000 0.0303-0.0000 ( 3887 PWs) bands (ev): -32.5373 -32.5373 -32.4404 -32.4404 -32.4402 -32.4402 -13.9199 -13.9199 -13.9196 -13.9196 -13.7890 -13.7890 -13.5408 -13.5408 -13.5406 -13.5406 -13.4563 -13.4563 -13.4004 -13.4004 -13.1739 -13.1739 -13.1731 -13.1731 -4.5672 -4.5672 -1.9739 -1.9739 6.3678 6.3678 6.4624 6.4624 6.4763 6.4763 7.6248 7.6248 7.7432 7.7432 7.7727 7.7727 8.4783 8.4783 8.5072 8.5072 8.9107 8.9107 9.4828 9.4844 k = 0.0000 0.0455-0.0000 ( 3879 PWs) bands (ev): -32.5371 -32.5371 -32.4407 -32.4407 -32.4402 -32.4402 -13.9197 -13.9197 -13.9190 -13.9190 -13.7888 -13.7888 -13.5409 -13.5409 -13.5403 -13.5403 -13.4565 -13.4565 -13.4007 -13.4007 -13.1752 -13.1752 -13.1735 -13.1735 -4.5628 -4.5628 -1.9715 -1.9715 6.3526 6.3526 6.4489 6.4489 6.4761 6.4761 7.5833 7.5833 7.7042 7.7042 7.7549 7.7549 8.4871 8.4871 8.5418 8.5418 8.9700 8.9700 9.4875 9.4879 k = 0.0000 0.0606-0.0000 ( 3863 PWs) bands (ev): -32.5367 -32.5367 -32.4410 -32.4410 -32.4402 -32.4402 -13.9192 -13.9192 -13.9180 -13.9180 -13.7885 -13.7885 -13.5410 -13.5410 -13.5400 -13.5400 -13.4567 -13.4567 -13.4012 -13.4012 -13.1772 -13.1772 -13.1740 -13.1740 -4.5568 -4.5568 -1.9683 -1.9683 6.3258 6.3258 6.4367 6.4367 6.4760 6.4760 7.5216 7.5216 7.6668 7.6668 7.7309 7.7309 8.4993 8.4993 8.5793 8.5793 9.0502 9.0502 9.4937 9.4939 k = 0.0000 0.0758-0.0000 ( 3863 PWs) bands (ev): -32.5363 -32.5363 -32.4414 -32.4414 -32.4402 -32.4402 -13.9188 -13.9188 -13.9169 -13.9169 -13.7881 -13.7881 -13.5411 -13.5411 -13.5396 -13.5396 -13.4570 -13.4570 -13.4018 -13.4018 -13.1796 -13.1796 -13.1748 -13.1748 -4.5492 -4.5492 -1.9641 -1.9641 6.2863 6.2863 6.4279 6.4279 6.4758 6.4758 7.4455 7.4455 7.6309 7.6309 7.7015 7.7015 8.5150 8.5150 8.6173 8.6173 9.1476 9.1476 9.5017 9.5018 k = 0.0000 0.0909-0.0000 ( 3867 PWs) bands (ev): -32.5358 -32.5358 -32.4420 -32.4420 -32.4402 -32.4402 -13.9182 -13.9182 -13.9155 -13.9155 -13.7877 -13.7877 -13.5414 -13.5414 -13.5392 -13.5392 -13.4574 -13.4574 -13.4025 -13.4025 -13.1826 -13.1826 -13.1756 -13.1756 -4.5399 -4.5399 -1.9591 -1.9591 6.2356 6.2356 6.4222 6.4222 6.4756 6.4756 7.3614 7.3614 7.5945 7.5945 7.6676 7.6676 8.5340 8.5340 8.6557 8.6557 9.2580 9.2580 9.5115 9.5115 k = 0.0000 0.1061-0.0000 ( 3859 PWs) bands (ev): -32.5351 -32.5351 -32.4426 -32.4426 -32.4402 -32.4402 -13.9176 -13.9176 -13.9138 -13.9138 -13.7872 -13.7872 -13.5416 -13.5416 -13.5386 -13.5386 -13.4579 -13.4579 -13.4033 -13.4033 -13.1860 -13.1860 -13.1766 -13.1766 -4.5292 -4.5292 -1.9533 -1.9533 6.1762 6.1762 6.4185 6.4185 6.4754 6.4754 7.2732 7.2732 7.5564 7.5564 7.6300 7.6300 8.5564 8.5564 8.6950 8.6950 9.3777 9.3777 9.5230 9.5230 k = 0.0000 0.1212-0.0000 ( 3843 PWs) bands (ev): -32.5344 -32.5344 -32.4433 -32.4433 -32.4402 -32.4402 -13.9168 -13.9168 -13.9119 -13.9119 -13.7867 -13.7867 -13.5419 -13.5419 -13.5380 -13.5380 -13.4584 -13.4584 -13.4041 -13.4041 -13.1899 -13.1899 -13.1777 -13.1777 -4.5170 -4.5170 -1.9467 -1.9467 6.1102 6.1102 6.4158 6.4158 6.4753 6.4753 7.1828 7.1828 7.5166 7.5166 7.5896 7.5896 8.5821 8.5821 8.7357 8.7357 9.5039 9.5039 9.5363 9.5363 k = 0.0000 0.1364-0.0000 ( 3847 PWs) bands (ev): -32.5336 -32.5336 -32.4441 -32.4441 -32.4401 -32.4401 -13.9160 -13.9160 -13.9099 -13.9099 -13.7861 -13.7861 -13.5423 -13.5423 -13.5373 -13.5373 -13.4590 -13.4590 -13.4051 -13.4051 -13.1943 -13.1943 -13.1790 -13.1790 -4.5035 -4.5035 -1.9394 -1.9394 6.0393 6.0393 6.4139 6.4139 6.4754 6.4754 7.0916 7.0916 7.4752 7.4752 7.5470 7.5470 8.6109 8.6109 8.7781 8.7781 9.5511 9.5512 9.6343 9.6343 k = 0.0000 0.1515-0.0000 ( 3847 PWs) bands (ev): -32.5327 -32.5327 -32.4449 -32.4449 -32.4401 -32.4401 -13.9151 -13.9151 -13.9075 -13.9075 -13.7855 -13.7855 -13.5428 -13.5428 -13.5365 -13.5365 -13.4597 -13.4597 -13.4060 -13.4060 -13.1991 -13.1991 -13.1804 -13.1804 -4.4888 -4.4888 -1.9315 -1.9315 5.9648 5.9648 6.4124 6.4124 6.4756 6.4756 7.0003 7.0003 7.4326 7.4326 7.5028 7.5028 8.6428 8.6428 8.8225 8.8225 9.5676 9.5676 9.7668 9.7668 k = 0.0000 0.1667-0.0000 ( 3831 PWs) bands (ev): -32.5317 -32.5317 -32.4459 -32.4459 -32.4401 -32.4401 -13.9142 -13.9142 -13.9049 -13.9049 -13.7849 -13.7849 -13.5433 -13.5433 -13.5356 -13.5356 -13.4604 -13.4604 -13.4068 -13.4068 -13.2043 -13.2043 -13.1818 -13.1818 -4.4730 -4.4730 -1.9229 -1.9229 5.8880 5.8880 6.4113 6.4113 6.4760 6.4760 6.9094 6.9094 7.3892 7.3892 7.4577 7.4577 8.6776 8.6776 8.8689 8.8689 9.5857 9.5858 9.8994 9.8994 k = 0.0000 0.1818-0.0000 ( 3839 PWs) bands (ev): -32.5307 -32.5307 -32.4469 -32.4469 -32.4401 -32.4401 -13.9132 -13.9132 -13.9021 -13.9021 -13.7843 -13.7843 -13.5439 -13.5439 -13.5346 -13.5346 -13.4613 -13.4613 -13.4077 -13.4077 -13.2099 -13.2099 -13.1834 -13.1834 -4.4562 -4.4562 -1.9138 -1.9138 5.8100 5.8100 6.4105 6.4105 6.4766 6.4766 6.8193 6.8193 7.3453 7.3453 7.4120 7.4120 8.7153 8.7153 8.9173 8.9173 9.6053 9.6053 10.0289 10.0289 k = 0.0000 0.1970-0.0000 ( 3847 PWs) bands (ev): -32.5296 -32.5296 -32.4480 -32.4480 -32.4401 -32.4401 -13.9122 -13.9122 -13.8991 -13.8991 -13.7838 -13.7838 -13.5447 -13.5447 -13.5336 -13.5336 -13.4623 -13.4623 -13.4084 -13.4084 -13.2158 -13.2158 -13.1850 -13.1850 -4.4386 -4.4386 -1.9043 -1.9043 5.7316 5.7316 6.4099 6.4099 6.4775 6.4775 6.7305 6.7305 7.3014 7.3014 7.3661 7.3661 8.7556 8.7556 8.9678 8.9678 9.6262 9.6262 10.1474 10.1474 k = 0.0000 0.2121-0.0000 ( 3855 PWs) bands (ev): -32.5283 -32.5283 -32.4492 -32.4492 -32.4401 -32.4401 -13.9112 -13.9112 -13.8960 -13.8960 -13.7832 -13.7832 -13.5456 -13.5456 -13.5325 -13.5325 -13.4634 -13.4634 -13.4091 -13.4091 -13.2220 -13.2220 -13.1867 -13.1867 -4.4203 -4.4203 -1.8944 -1.8944 5.6537 5.6537 6.4094 6.4094 6.4789 6.4789 6.6434 6.6434 7.2577 7.2577 7.3204 7.3204 8.7984 8.7984 9.0201 9.0201 9.6485 9.6485 10.2487 10.2487 k = 0.0000 0.2273-0.0000 ( 3855 PWs) bands (ev): -32.5271 -32.5271 -32.4505 -32.4505 -32.4401 -32.4401 -13.9101 -13.9101 -13.8926 -13.8926 -13.7828 -13.7828 -13.5466 -13.5466 -13.5313 -13.5313 -13.4645 -13.4645 -13.4095 -13.4095 -13.2284 -13.2284 -13.1885 -13.1885 -4.4015 -4.4015 -1.8843 -1.8843 5.5768 5.5768 6.4085 6.4085 6.4806 6.4806 6.5587 6.5587 7.2145 7.2145 7.2752 7.2752 8.8434 8.8434 9.0743 9.0743 9.6721 9.6721 10.3438 10.3439 k = 0.0000 0.2424-0.0000 ( 3863 PWs) bands (ev): -32.5257 -32.5257 -32.4518 -32.4518 -32.4401 -32.4401 -13.9090 -13.9090 -13.8890 -13.8890 -13.7824 -13.7824 -13.5477 -13.5477 -13.5300 -13.5300 -13.4657 -13.4657 -13.4098 -13.4098 -13.2351 -13.2351 -13.1903 -13.1903 -4.3823 -4.3823 -1.8739 -1.8739 5.5017 5.5017 6.4049 6.4049 6.4793 6.4793 6.4828 6.4828 7.1720 7.1720 7.2306 7.2306 8.8906 8.8906 9.1302 9.1302 9.6967 9.6967 10.4385 10.4386 k = 0.0000 0.2576-0.0000 ( 3863 PWs) bands (ev): -32.5243 -32.5243 -32.4531 -32.4531 -32.4401 -32.4401 -13.9079 -13.9079 -13.8853 -13.8853 -13.7821 -13.7821 -13.5489 -13.5489 -13.5285 -13.5285 -13.4669 -13.4669 -13.4099 -13.4099 -13.2420 -13.2420 -13.1921 -13.1921 -4.3630 -4.3630 -1.8635 -1.8635 5.4288 5.4288 6.3755 6.3755 6.4285 6.4285 6.4855 6.4855 7.1305 7.1305 7.1869 7.1869 8.9395 8.9395 9.1878 9.1878 9.7224 9.7224 10.5341 10.5342 k = 0.0000 0.2727-0.0000 ( 3864 PWs) bands (ev): -32.5229 -32.5229 -32.4546 -32.4546 -32.4401 -32.4401 -13.9068 -13.9068 -13.8814 -13.8814 -13.7820 -13.7820 -13.5502 -13.5502 -13.5270 -13.5270 -13.4683 -13.4683 -13.4096 -13.4096 -13.2491 -13.2491 -13.1938 -13.1938 -4.3436 -4.3436 -1.8531 -1.8531 5.3587 5.3587 6.3058 6.3058 6.4213 6.4213 6.4888 6.4888 7.0900 7.0900 7.1442 7.1442 8.9898 8.9898 9.2468 9.2468 9.7490 9.7490 10.6305 10.6307 k = 0.0000 0.2879-0.0000 ( 3856 PWs) bands (ev): -32.5214 -32.5214 -32.4560 -32.4560 -32.4400 -32.4400 -13.9057 -13.9057 -13.8773 -13.8773 -13.7820 -13.7820 -13.5516 -13.5516 -13.5254 -13.5254 -13.4697 -13.4697 -13.4091 -13.4091 -13.2562 -13.2562 -13.1956 -13.1956 -4.3243 -4.3243 -1.8427 -1.8427 5.2916 5.2916 6.2320 6.2320 6.4216 6.4216 6.4928 6.4928 7.0508 7.0508 7.1026 7.1026 9.0414 9.0414 9.3071 9.3071 9.7763 9.7763 10.7274 10.7401 k = 0.0000 0.3030-0.0000 ( 3860 PWs) bands (ev): -32.5199 -32.5199 -32.4575 -32.4575 -32.4400 -32.4400 -13.9047 -13.9047 -13.8732 -13.8732 -13.7821 -13.7821 -13.5530 -13.5530 -13.5238 -13.5238 -13.4712 -13.4712 -13.4083 -13.4083 -13.2634 -13.2634 -13.1973 -13.1973 -4.3054 -4.3054 -1.8325 -1.8325 5.2279 5.2279 6.1605 6.1605 6.4237 6.4237 6.4975 6.4975 7.0130 7.0130 7.0624 7.0624 9.0936 9.0936 9.3683 9.3683 9.8042 9.8042 10.8241 10.8242 k = 0.0000 0.3182-0.0000 ( 3868 PWs) bands (ev): -32.5184 -32.5184 -32.4590 -32.4590 -32.4400 -32.4400 -13.9037 -13.9037 -13.8690 -13.8690 -13.7825 -13.7825 -13.5546 -13.5546 -13.5221 -13.5221 -13.4728 -13.4728 -13.4072 -13.4072 -13.2708 -13.2708 -13.1991 -13.1991 -4.2870 -4.2870 -1.8227 -1.8227 5.1680 5.1680 6.0924 6.0924 6.4266 6.4266 6.5029 6.5029 6.9767 6.9767 7.0235 7.0235 9.1461 9.1461 9.4304 9.4304 9.8324 9.8324 10.9188 10.9189 k = 0.0000 0.3333-0.0000 ( 3864 PWs) bands (ev): -32.5169 -32.5169 -32.4605 -32.4605 -32.4400 -32.4400 -13.9027 -13.9027 -13.8647 -13.8647 -13.7830 -13.7830 -13.5561 -13.5561 -13.5202 -13.5202 -13.4745 -13.4745 -13.4057 -13.4057 -13.2780 -13.2780 -13.2007 -13.2007 -4.2693 -4.2693 -1.8132 -1.8132 5.1120 5.1120 6.0281 6.0281 6.4303 6.4303 6.5091 6.5091 6.9420 6.9420 6.9860 6.9860 9.1985 9.1985 9.4928 9.4928 9.8606 9.8606 11.0044 11.0044 k = 0.0000 0.3485-0.0000 ( 3864 PWs) bands (ev): -32.5153 -32.5153 -32.4620 -32.4620 -32.4400 -32.4400 -13.9017 -13.9017 -13.8604 -13.8604 -13.7838 -13.7838 -13.5577 -13.5577 -13.5183 -13.5183 -13.4762 -13.4762 -13.4039 -13.4039 -13.2852 -13.2852 -13.2022 -13.2022 -4.2525 -4.2525 -1.8042 -1.8042 5.0603 5.0603 5.9682 5.9682 6.4347 6.4347 6.5162 6.5162 6.9091 6.9091 6.9501 6.9501 9.2501 9.2501 9.5551 9.5551 9.8886 9.8886 11.0597 11.0597 k = 0.0000 0.3636-0.0000 ( 3872 PWs) bands (ev): -32.5138 -32.5138 -32.4636 -32.4636 -32.4400 -32.4400 -13.9009 -13.9009 -13.8561 -13.8561 -13.7848 -13.7848 -13.5593 -13.5593 -13.5163 -13.5163 -13.4780 -13.4780 -13.4019 -13.4019 -13.2923 -13.2923 -13.2037 -13.2037 -4.2367 -4.2367 -1.7957 -1.7957 5.0129 5.0129 5.9129 5.9129 6.4396 6.4396 6.5241 6.5241 6.8781 6.8781 6.9158 6.9158 9.3002 9.3002 9.6168 9.6168 9.9160 9.9160 11.0877 11.0877 k = 0.0000 0.3788-0.0000 ( 3876 PWs) bands (ev): -32.5123 -32.5123 -32.4650 -32.4650 -32.4400 -32.4400 -13.9001 -13.9001 -13.8518 -13.8518 -13.7860 -13.7860 -13.5608 -13.5608 -13.5143 -13.5143 -13.4799 -13.4799 -13.3995 -13.3995 -13.2993 -13.2993 -13.2050 -13.2050 -4.2221 -4.2221 -1.7879 -1.7879 4.9702 4.9702 5.8625 5.8625 6.4450 6.4450 6.5329 6.5329 6.8492 6.8492 6.8831 6.8831 9.3483 9.3483 9.6773 9.6773 9.9424 9.9424 11.1003 11.1003 k = 0.0000 0.3939-0.0000 ( 3868 PWs) bands (ev): -32.5109 -32.5109 -32.4664 -32.4664 -32.4399 -32.4399 -13.8993 -13.8993 -13.8476 -13.8476 -13.7873 -13.7873 -13.5621 -13.5621 -13.5122 -13.5122 -13.4818 -13.4818 -13.3968 -13.3968 -13.3060 -13.3060 -13.2062 -13.2062 -4.2088 -4.2088 -1.7808 -1.7808 4.9322 4.9322 5.8173 5.8173 6.4507 6.4507 6.5426 6.5426 6.8225 6.8225 6.8522 6.8522 9.3936 9.3936 9.7357 9.7357 9.9675 9.9675 11.1016 11.1016 k = 0.0000 0.4091-0.0000 ( 3868 PWs) bands (ev): -32.5095 -32.5095 -32.4678 -32.4678 -32.4399 -32.4399 -13.8987 -13.8987 -13.8435 -13.8435 -13.7888 -13.7888 -13.5634 -13.5634 -13.5101 -13.5101 -13.4838 -13.4838 -13.3939 -13.3939 -13.3125 -13.3125 -13.2073 -13.2073 -4.1969 -4.1969 -1.7745 -1.7745 4.8990 4.8990 5.7776 5.7776 6.4567 6.4567 6.5532 6.5532 6.7982 6.7982 6.8231 6.8231 9.4351 9.4351 9.7911 9.7911 9.9908 9.9908 11.0944 11.0944 k = 0.0000 0.4242-0.0000 ( 3868 PWs) bands (ev): -32.5083 -32.5083 -32.4690 -32.4690 -32.4399 -32.4399 -13.8981 -13.8981 -13.8397 -13.8397 -13.7905 -13.7905 -13.5645 -13.5645 -13.5080 -13.5080 -13.4859 -13.4859 -13.3909 -13.3909 -13.3186 -13.3186 -13.2082 -13.2082 -4.1867 -4.1867 -1.7690 -1.7690 4.8708 4.8708 5.7436 5.7436 6.4627 6.4627 6.5644 6.5644 6.7767 6.7767 6.7961 6.7961 9.4722 9.4722 9.8421 9.8421 10.0117 10.0117 11.0815 11.0815 k = 0.0000 0.4394-0.0000 ( 3868 PWs) bands (ev): -32.5072 -32.5072 -32.4701 -32.4701 -32.4399 -32.4399 -13.8977 -13.8977 -13.8362 -13.8362 -13.7922 -13.7922 -13.5655 -13.5655 -13.5058 -13.5058 -13.4880 -13.4880 -13.3879 -13.3879 -13.3242 -13.3242 -13.2090 -13.2090 -4.1782 -4.1782 -1.7645 -1.7645 4.8475 4.8475 5.7156 5.7156 6.4685 6.4685 6.5762 6.5762 6.7581 6.7581 6.7714 6.7714 9.5040 9.5040 9.8875 9.8875 10.0298 10.0298 11.0655 11.0655 k = 0.0000 0.4545-0.0000 ( 3868 PWs) bands (ev): -32.5063 -32.5063 -32.4710 -32.4710 -32.4399 -32.4399 -13.8972 -13.8972 -13.8331 -13.8331 -13.7938 -13.7938 -13.5663 -13.5663 -13.5035 -13.5035 -13.4901 -13.4901 -13.3850 -13.3850 -13.3291 -13.3291 -13.2097 -13.2097 -4.1715 -4.1715 -1.7609 -1.7609 4.8295 4.8295 5.6935 5.6935 6.4736 6.4736 6.5880 6.5880 6.7430 6.7430 6.7495 6.7495 9.5297 9.5297 9.9253 9.9253 10.0444 10.0444 11.0492 11.0492 k = 0.0000 0.4697-0.0000 ( 3864 PWs) bands (ev): -32.5056 -32.5056 -32.4717 -32.4717 -32.4399 -32.4399 -13.8969 -13.8969 -13.8307 -13.8307 -13.7953 -13.7953 -13.5668 -13.5668 -13.5012 -13.5012 -13.4922 -13.4922 -13.3825 -13.3825 -13.3330 -13.3330 -13.2102 -13.2102 -4.1666 -4.1666 -1.7583 -1.7583 4.8165 4.8165 5.6777 5.6777 6.4778 6.4778 6.5989 6.5989 6.7313 6.7313 6.7318 6.7318 9.5486 9.5486 9.9541 9.9541 10.0553 10.0553 11.0352 11.0352 k = 0.0000 0.4848-0.0000 ( 3868 PWs) bands (ev): -32.5052 -32.5052 -32.4721 -32.4721 -32.4399 -32.4399 -13.8967 -13.8967 -13.8291 -13.8291 -13.7963 -13.7963 -13.5672 -13.5672 -13.4990 -13.4990 -13.4944 -13.4944 -13.3808 -13.3808 -13.3356 -13.3356 -13.2104 -13.2104 -4.1637 -4.1637 -1.7568 -1.7568 4.8087 4.8087 5.6682 5.6682 6.4804 6.4804 6.6072 6.6072 6.7187 6.7187 6.7248 6.7248 9.5602 9.5602 9.9721 9.9721 10.0619 10.0619 11.0258 11.0258 k = 0.0000 0.5000-0.0000 ( 3868 PWs) bands (ev): -32.5050 -32.5050 -32.4722 -32.4722 -32.4399 -32.4399 -13.8967 -13.8967 -13.8285 -13.8285 -13.7966 -13.7966 -13.5673 -13.5673 -13.4973 -13.4973 -13.4961 -13.4961 -13.3802 -13.3802 -13.3365 -13.3365 -13.2105 -13.2105 -4.1627 -4.1627 -1.7563 -1.7563 4.8061 4.8061 5.6650 5.6650 6.4814 6.4814 6.6104 6.6104 6.7140 6.7140 6.7224 6.7224 9.5641 9.5641 9.9783 9.9783 10.0642 10.0642 11.0225 11.0225 k = 0.0000 0.5000-0.0000 ( 3868 PWs) bands (ev): -32.5050 -32.5050 -32.4722 -32.4722 -32.4399 -32.4399 -13.8967 -13.8967 -13.8285 -13.8285 -13.7966 -13.7966 -13.5673 -13.5673 -13.4973 -13.4973 -13.4961 -13.4961 -13.3802 -13.3802 -13.3365 -13.3365 -13.2105 -13.2105 -4.1627 -4.1627 -1.7563 -1.7563 4.8061 4.8061 5.6650 5.6650 6.4814 6.4814 6.6104 6.6104 6.7140 6.7140 6.7224 6.7224 9.5641 9.5641 9.9783 9.9783 10.0642 10.0642 11.0225 11.0225 k = 0.0152 0.5000-0.0000 ( 3868 PWs) bands (ev): -32.5050 -32.5050 -32.4722 -32.4722 -32.4399 -32.4399 -13.8967 -13.8967 -13.8288 -13.8288 -13.7965 -13.7965 -13.5673 -13.5673 -13.5004 -13.5004 -13.4929 -13.4929 -13.3812 -13.3812 -13.3356 -13.3356 -13.2104 -13.2104 -4.1619 -4.1619 -1.7560 -1.7560 4.8065 4.8065 5.6620 5.6620 6.4809 6.4809 6.6097 6.6097 6.7124 6.7124 6.7210 6.7210 9.5669 9.5669 9.9818 9.9818 10.0657 10.0657 11.0229 11.0229 k = 0.0303 0.5000-0.0000 ( 3858 PWs) bands (ev): -32.5049 -32.5049 -32.4722 -32.4722 -32.4400 -32.4400 -13.8966 -13.8966 -13.8296 -13.8296 -13.7963 -13.7963 -13.5674 -13.5674 -13.5038 -13.5038 -13.4891 -13.4891 -13.3841 -13.3841 -13.3331 -13.3331 -13.2101 -13.2101 -4.1595 -4.1595 -1.7552 -1.7552 4.8078 4.8078 5.6531 5.6531 6.4796 6.4796 6.6077 6.6077 6.7068 6.7068 6.7175 6.7175 9.5750 9.5750 9.9924 9.9924 10.0704 10.0704 11.0243 11.0243 k = 0.0455 0.5000-0.0000 ( 3866 PWs) bands (ev): -32.5047 -32.5047 -32.4722 -32.4722 -32.4402 -32.4402 -13.8965 -13.8965 -13.8309 -13.8309 -13.7959 -13.7959 -13.5677 -13.5677 -13.5072 -13.5072 -13.4853 -13.4853 -13.3883 -13.3883 -13.3296 -13.3296 -13.2095 -13.2095 -4.1554 -4.1554 -1.7538 -1.7538 4.8098 4.8098 5.6384 5.6384 6.4775 6.4775 6.6045 6.6045 6.6960 6.6960 6.7133 6.7133 9.5884 9.5884 10.0100 10.0100 10.0781 10.0781 11.0266 11.0266 k = 0.0606 0.5000-0.0000 ( 3866 PWs) bands (ev): -32.5044 -32.5044 -32.4722 -32.4722 -32.4405 -32.4405 -13.8963 -13.8963 -13.8327 -13.8327 -13.7955 -13.7955 -13.5680 -13.5680 -13.5105 -13.5105 -13.4814 -13.4814 -13.3931 -13.3931 -13.3257 -13.3257 -13.2087 -13.2087 -4.1499 -4.1499 -1.7519 -1.7519 4.8126 4.8126 5.6183 5.6183 6.4744 6.4744 6.6000 6.6000 6.6804 6.6804 6.7084 6.7084 9.6065 9.6065 10.0346 10.0346 10.0887 10.0887 11.0297 11.0297 k = 0.0758 0.5000-0.0000 ( 3870 PWs) bands (ev): -32.5041 -32.5041 -32.4722 -32.4722 -32.4408 -32.4408 -13.8961 -13.8961 -13.8348 -13.8348 -13.7952 -13.7952 -13.5683 -13.5683 -13.5135 -13.5135 -13.4777 -13.4777 -13.3983 -13.3983 -13.3216 -13.3216 -13.2077 -13.2077 -4.1428 -4.1428 -1.7496 -1.7496 4.8159 4.8159 5.5930 5.5930 6.4705 6.4705 6.5944 6.5944 6.6607 6.6607 6.7025 6.7025 9.6291 9.6291 10.0662 10.0662 10.1022 10.1022 11.0335 11.0335 k = 0.0909 0.5000-0.0000 ( 3868 PWs) bands (ev): -32.5037 -32.5037 -32.4722 -32.4722 -32.4412 -32.4412 -13.8958 -13.8958 -13.8372 -13.8372 -13.7949 -13.7949 -13.5686 -13.5686 -13.5164 -13.5164 -13.4741 -13.4741 -13.4036 -13.4036 -13.3177 -13.3177 -13.2064 -13.2064 -4.1342 -4.1342 -1.7467 -1.7467 4.8198 4.8198 5.5631 5.5631 6.4656 6.4656 6.5879 6.5879 6.6373 6.6373 6.6956 6.6956 9.6555 9.6555 10.1045 10.1045 10.1185 10.1185 11.0380 11.0380 k = 0.1061 0.5000-0.0000 ( 3866 PWs) bands (ev): -32.5032 -32.5032 -32.4722 -32.4722 -32.4416 -32.4416 -13.8955 -13.8955 -13.8398 -13.8398 -13.7947 -13.7947 -13.5689 -13.5689 -13.5191 -13.5191 -13.4707 -13.4707 -13.4086 -13.4086 -13.3141 -13.3141 -13.2047 -13.2047 -4.1242 -4.1242 -1.7433 -1.7433 4.8239 4.8239 5.5291 5.5291 6.4597 6.4597 6.5806 6.5806 6.6109 6.6109 6.6878 6.6878 9.6856 9.6856 10.1373 10.1373 10.1494 10.1494 11.0431 11.0431 k = 0.1212 0.5000-0.0000 ( 3862 PWs) bands (ev): -32.5026 -32.5026 -32.4722 -32.4722 -32.4422 -32.4422 -13.8951 -13.8951 -13.8427 -13.8427 -13.7946 -13.7946 -13.5693 -13.5693 -13.5217 -13.5217 -13.4678 -13.4678 -13.4131 -13.4131 -13.3110 -13.3110 -13.2027 -13.2027 -4.1129 -4.1129 -1.7395 -1.7395 4.8281 4.8281 5.4915 5.4915 6.4528 6.4528 6.5724 6.5724 6.5823 6.5823 6.6790 6.6790 9.7188 9.7188 10.1587 10.1587 10.2002 10.2002 11.0486 11.0486 k = 0.1364 0.5000-0.0000 ( 3862 PWs) bands (ev): -32.5020 -32.5020 -32.4722 -32.4722 -32.4428 -32.4428 -13.8947 -13.8947 -13.8457 -13.8457 -13.7948 -13.7948 -13.5696 -13.5696 -13.5241 -13.5241 -13.4656 -13.4656 -13.4168 -13.4168 -13.3084 -13.3084 -13.2004 -13.2004 -4.1004 -4.1004 -1.7354 -1.7354 4.8322 4.8322 5.4508 5.4508 6.4448 6.4448 6.5511 6.5511 6.5646 6.5646 6.6694 6.6694 9.7548 9.7548 10.1824 10.1824 10.2565 10.2565 11.0542 11.0542 k = 0.1515 0.5000-0.0000 ( 3874 PWs) bands (ev): -32.5013 -32.5013 -32.4722 -32.4722 -32.4434 -32.4434 -13.8943 -13.8943 -13.8488 -13.8488 -13.7951 -13.7951 -13.5699 -13.5699 -13.5265 -13.5265 -13.4644 -13.4644 -13.4195 -13.4195 -13.3063 -13.3063 -13.1977 -13.1977 -4.0867 -4.0867 -1.7308 -1.7308 4.8360 4.8360 5.4075 5.4075 6.4355 6.4355 6.5199 6.5199 6.5556 6.5556 6.6591 6.6591 9.7935 9.7935 10.2083 10.2083 10.3176 10.3176 11.0593 11.0594 k = 0.1667 0.5000-0.0000 ( 3874 PWs) bands (ev): -32.5006 -32.5006 -32.4722 -32.4722 -32.4442 -32.4442 -13.8939 -13.8939 -13.8520 -13.8520 -13.7956 -13.7956 -13.5701 -13.5701 -13.5287 -13.5287 -13.4643 -13.4643 -13.4208 -13.4208 -13.3048 -13.3048 -13.1948 -13.1948 -4.0720 -4.0720 -1.7259 -1.7259 4.8390 4.8390 5.3624 5.3624 6.4245 6.4245 6.4889 6.4889 6.5465 6.5465 6.6482 6.6482 9.8348 9.8348 10.2360 10.2360 10.3828 10.3828 11.0546 11.0548 k = 0.1818 0.5000-0.0000 ( 3870 PWs) bands (ev): -32.4997 -32.4997 -32.4721 -32.4721 -32.4450 -32.4450 -13.8935 -13.8935 -13.8551 -13.8551 -13.7963 -13.7963 -13.5703 -13.5703 -13.5308 -13.5308 -13.4654 -13.4654 -13.4208 -13.4208 -13.3039 -13.3039 -13.1915 -13.1915 -4.0564 -4.0564 -1.7207 -1.7207 4.8412 4.8412 5.3159 5.3159 6.4110 6.4110 6.4598 6.4598 6.5374 6.5374 6.6368 6.6368 9.8786 9.8786 10.2655 10.2655 10.4512 10.4512 11.0319 11.0321 k = 0.1970 0.5000-0.0000 ( 3866 PWs) bands (ev): -32.4988 -32.4988 -32.4721 -32.4721 -32.4458 -32.4458 -13.8931 -13.8931 -13.8582 -13.8582 -13.7973 -13.7973 -13.5703 -13.5703 -13.5328 -13.5328 -13.4675 -13.4675 -13.4195 -13.4195 -13.3034 -13.3034 -13.1880 -13.1880 -4.0400 -4.0400 -1.7152 -1.7152 4.8421 4.8421 5.2684 5.2684 6.3933 6.3933 6.4351 6.4351 6.5282 6.5282 6.6251 6.6251 9.9247 9.9247 10.2964 10.2964 10.5219 10.5219 11.0088 11.0088 k = 0.2121 0.5000-0.0000 ( 3856 PWs) bands (ev): -32.4979 -32.4979 -32.4721 -32.4721 -32.4467 -32.4467 -13.8927 -13.8927 -13.8612 -13.8612 -13.7984 -13.7984 -13.5702 -13.5702 -13.5347 -13.5347 -13.4702 -13.4702 -13.4174 -13.4174 -13.3034 -13.3034 -13.1844 -13.1844 -4.0230 -4.0230 -1.7095 -1.7095 4.8416 4.8416 5.2206 5.2206 6.3709 6.3709 6.4159 6.4159 6.5191 6.5191 6.6130 6.6130 9.9733 9.9733 10.3286 10.3286 10.5941 10.5941 10.9869 10.9869 k = 0.2273 0.5000-0.0000 ( 3864 PWs) bands (ev): -32.4969 -32.4969 -32.4721 -32.4721 -32.4477 -32.4477 -13.8925 -13.8925 -13.8642 -13.8642 -13.7997 -13.7997 -13.5701 -13.5701 -13.5366 -13.5366 -13.4733 -13.4733 -13.4147 -13.4147 -13.3039 -13.3039 -13.1807 -13.1807 -4.0054 -4.0054 -1.7037 -1.7037 4.8393 4.8393 5.1728 5.1728 6.3462 6.3462 6.4006 6.4006 6.5101 6.5101 6.6009 6.6009 10.0241 10.0241 10.3617 10.3617 10.6668 10.6668 10.9662 10.9662 k = 0.2424 0.5000-0.0000 ( 3850 PWs) bands (ev): -32.4958 -32.4958 -32.4721 -32.4721 -32.4487 -32.4487 -13.8923 -13.8923 -13.8669 -13.8669 -13.8012 -13.8012 -13.5698 -13.5698 -13.5383 -13.5383 -13.4766 -13.4766 -13.4116 -13.4116 -13.3047 -13.3047 -13.1768 -13.1768 -3.9876 -3.9876 -1.6978 -1.6978 4.8352 4.8352 5.1255 5.1255 6.3219 6.3219 6.3871 6.3871 6.5014 6.5014 6.5887 6.5887 10.0772 10.0772 10.3956 10.3956 10.7392 10.7392 10.9469 10.9469 k = 0.2576 0.5000-0.0000 ( 3846 PWs) bands (ev): -32.4947 -32.4947 -32.4720 -32.4720 -32.4498 -32.4498 -13.8924 -13.8924 -13.8693 -13.8693 -13.8029 -13.8029 -13.5694 -13.5694 -13.5399 -13.5399 -13.4799 -13.4799 -13.4084 -13.4084 -13.3059 -13.3059 -13.1730 -13.1730 -3.9695 -3.9695 -1.6918 -1.6918 4.8291 4.8291 5.0790 5.0790 6.2995 6.2995 6.3746 6.3746 6.4929 6.4929 6.5767 6.5767 10.1326 10.1326 10.4299 10.4299 10.8105 10.8105 10.9288 10.9288 k = 0.2727 0.5000-0.0000 ( 3860 PWs) bands (ev): -32.4935 -32.4935 -32.4720 -32.4720 -32.4509 -32.4509 -13.8927 -13.8927 -13.8714 -13.8714 -13.8048 -13.8048 -13.5690 -13.5690 -13.5415 -13.5415 -13.4831 -13.4831 -13.4051 -13.4051 -13.3074 -13.3074 -13.1692 -13.1692 -3.9514 -3.9514 -1.6858 -1.6858 4.8208 4.8208 5.0338 5.0338 6.2796 6.2796 6.3625 6.3625 6.4847 6.4847 6.5648 6.5648 10.1900 10.1900 10.4643 10.4643 10.8797 10.8797 10.9121 10.9121 k = 0.2879 0.5000-0.0000 ( 3858 PWs) bands (ev): -32.4923 -32.4923 -32.4720 -32.4720 -32.4521 -32.4521 -13.8933 -13.8933 -13.8731 -13.8731 -13.8067 -13.8067 -13.5685 -13.5685 -13.5429 -13.5429 -13.4862 -13.4862 -13.4018 -13.4018 -13.3091 -13.3091 -13.1655 -13.1655 -3.9335 -3.9335 -1.6799 -1.6799 4.8106 4.8106 4.9902 4.9902 6.2629 6.2629 6.3510 6.3510 6.4769 6.4769 6.5532 6.5532 10.2495 10.2495 10.4987 10.4987 10.8965 10.8965 10.9463 10.9463 k = 0.3030 0.5000-0.0000 ( 3850 PWs) bands (ev): -32.4911 -32.4911 -32.4720 -32.4720 -32.4533 -32.4533 -13.8942 -13.8942 -13.8742 -13.8742 -13.8087 -13.8087 -13.5680 -13.5680 -13.5441 -13.5441 -13.4890 -13.4890 -13.3985 -13.3985 -13.3108 -13.3108 -13.1620 -13.1620 -3.9158 -3.9158 -1.6741 -1.6741 4.7986 4.7986 4.9484 4.9484 6.2492 6.2492 6.3399 6.3399 6.4695 6.4695 6.5420 6.5420 10.3109 10.3109 10.5328 10.5328 10.8824 10.8824 10.9495 10.9495 k = 0.3182 0.5000-0.0000 ( 3850 PWs) bands (ev): -32.4898 -32.4898 -32.4720 -32.4720 -32.4546 -32.4546 -13.8954 -13.8954 -13.8750 -13.8750 -13.8108 -13.8108 -13.5674 -13.5674 -13.5452 -13.5452 -13.4917 -13.4917 -13.3954 -13.3954 -13.3128 -13.3128 -13.1586 -13.1586 -3.8987 -3.8987 -1.6684 -1.6684 4.7849 4.7849 4.9088 4.9088 6.2385 6.2385 6.3295 6.3295 6.4624 6.4624 6.5313 6.5313 10.3740 10.3740 10.5660 10.5660 10.8692 10.8692 10.8878 10.8878 k = 0.3333 0.5000-0.0000 ( 3838 PWs) bands (ev): -32.4884 -32.4884 -32.4719 -32.4719 -32.4559 -32.4559 -13.8968 -13.8968 -13.8753 -13.8753 -13.8129 -13.8129 -13.5668 -13.5668 -13.5461 -13.5461 -13.4941 -13.4941 -13.3924 -13.3924 -13.3147 -13.3147 -13.1553 -13.1553 -3.8821 -3.8821 -1.6630 -1.6630 4.7699 4.7699 4.8717 4.8717 6.2306 6.2306 6.3198 6.3198 6.4559 6.4559 6.5212 6.5212 10.4387 10.4387 10.5983 10.5983 10.8231 10.8231 10.8581 10.8581 k = 0.3485 0.5000-0.0000 ( 3854 PWs) bands (ev): -32.4871 -32.4871 -32.4719 -32.4719 -32.4572 -32.4572 -13.8984 -13.8984 -13.8754 -13.8754 -13.8151 -13.8151 -13.5664 -13.5664 -13.5469 -13.5469 -13.4964 -13.4964 -13.3896 -13.3896 -13.3168 -13.3168 -13.1524 -13.1524 -3.8664 -3.8664 -1.6578 -1.6578 4.7540 4.7540 4.8373 4.8373 6.2251 6.2251 6.3110 6.3110 6.4499 6.4499 6.5116 6.5116 10.5047 10.5047 10.6293 10.6293 10.7602 10.7602 10.8475 10.8475 k = 0.3636 0.5000-0.0000 ( 3866 PWs) bands (ev): -32.4857 -32.4857 -32.4719 -32.4719 -32.4586 -32.4586 -13.9000 -13.9000 -13.8753 -13.8753 -13.8172 -13.8172 -13.5660 -13.5660 -13.5475 -13.5475 -13.4985 -13.4985 -13.3870 -13.3870 -13.3188 -13.3188 -13.1496 -13.1496 -3.8516 -3.8516 -1.6530 -1.6530 4.7375 4.7375 4.8058 4.8058 6.2216 6.2216 6.3032 6.3032 6.4444 6.4444 6.5028 6.5028 10.5717 10.5717 10.6582 10.6582 10.7003 10.7003 10.8381 10.8381 k = 0.3788 0.5000-0.0000 ( 3872 PWs) bands (ev): -32.4842 -32.4842 -32.4719 -32.4719 -32.4600 -32.4600 -13.9016 -13.9016 -13.8750 -13.8750 -13.8192 -13.8192 -13.5658 -13.5658 -13.5478 -13.5478 -13.5003 -13.5003 -13.3845 -13.3845 -13.3208 -13.3208 -13.1471 -13.1471 -3.8380 -3.8380 -1.6485 -1.6485 4.7209 4.7209 4.7776 4.7776 6.2196 6.2196 6.2965 6.2965 6.4394 6.4394 6.4947 6.4947 10.6390 10.6390 10.6433 10.6433 10.6869 10.6869 10.8298 10.8298 k = 0.3939 0.5000-0.0000 ( 3866 PWs) bands (ev): -32.4828 -32.4828 -32.4719 -32.4719 -32.4615 -32.4615 -13.9030 -13.9030 -13.8745 -13.8745 -13.8211 -13.8211 -13.5656 -13.5656 -13.5479 -13.5479 -13.5019 -13.5019 -13.3823 -13.3823 -13.3226 -13.3226 -13.1448 -13.1448 -3.8256 -3.8256 -1.6444 -1.6444 4.7046 4.7046 4.7526 4.7526 6.2186 6.2186 6.2911 6.2911 6.4350 6.4350 6.4875 6.4875 10.5918 10.5918 10.7042 10.7042 10.7151 10.7151 10.8227 10.8227 k = 0.4091 0.5000-0.0000 ( 3860 PWs) bands (ev): -32.4813 -32.4813 -32.4719 -32.4719 -32.4629 -32.4629 -13.9044 -13.9044 -13.8740 -13.8740 -13.8228 -13.8228 -13.5655 -13.5655 -13.5478 -13.5478 -13.5033 -13.5033 -13.3803 -13.3803 -13.3242 -13.3242 -13.1429 -13.1429 -3.8145 -3.8145 -1.6408 -1.6408 4.6891 4.6891 4.7311 4.7311 6.2181 6.2181 6.2869 6.2869 6.4313 6.4313 6.4812 6.4812 10.5461 10.5461 10.7328 10.7328 10.7767 10.7767 10.8170 10.8170 k = 0.4242 0.5000-0.0000 ( 3872 PWs) bands (ev): -32.4798 -32.4798 -32.4719 -32.4719 -32.4644 -32.4644 -13.9056 -13.9056 -13.8736 -13.8736 -13.8245 -13.8245 -13.5655 -13.5655 -13.5477 -13.5477 -13.5045 -13.5045 -13.3786 -13.3786 -13.3258 -13.3258 -13.1412 -13.1412 -3.8050 -3.8050 -1.6377 -1.6377 4.6750 4.6750 4.7130 4.7130 6.2178 6.2178 6.2840 6.2840 6.4281 6.4281 6.4757 6.4757 10.5064 10.5064 10.7526 10.7526 10.8102 10.8102 10.8458 10.8458 k = 0.4394 0.5000-0.0000 ( 3880 PWs) bands (ev): -32.4783 -32.4783 -32.4719 -32.4719 -32.4659 -32.4659 -13.9066 -13.9066 -13.8732 -13.8732 -13.8258 -13.8258 -13.5656 -13.5656 -13.5475 -13.5475 -13.5056 -13.5056 -13.3772 -13.3772 -13.3271 -13.3271 -13.1398 -13.1398 -3.7970 -3.7970 -1.6351 -1.6351 4.6626 4.6626 4.6984 4.6984 6.2175 6.2175 6.2822 6.2822 6.4255 6.4255 6.4712 6.4712 10.4732 10.4732 10.7691 10.7691 10.8066 10.8066 10.9116 10.9116 k = 0.4545 0.5000-0.0000 ( 3880 PWs) bands (ev): -32.4767 -32.4767 -32.4719 -32.4719 -32.4675 -32.4675 -13.9074 -13.9074 -13.8728 -13.8728 -13.8269 -13.8269 -13.5656 -13.5656 -13.5472 -13.5472 -13.5063 -13.5063 -13.3761 -13.3761 -13.3282 -13.3282 -13.1387 -13.1387 -3.7907 -3.7907 -1.6331 -1.6331 4.6525 4.6525 4.6870 4.6870 6.2172 6.2172 6.2813 6.2813 6.4235 6.4235 6.4676 6.4676 10.4470 10.4470 10.7821 10.7821 10.8035 10.8035 10.9758 10.9758 k = 0.4697 0.5000-0.0000 ( 3884 PWs) bands (ev): -32.4752 -32.4752 -32.4719 -32.4719 -32.4690 -32.4690 -13.9080 -13.9080 -13.8725 -13.8725 -13.8277 -13.8277 -13.5657 -13.5657 -13.5470 -13.5470 -13.5069 -13.5069 -13.3752 -13.3752 -13.3289 -13.3289 -13.1380 -13.1380 -3.7862 -3.7862 -1.6316 -1.6316 4.6451 4.6451 4.6790 4.6790 6.2168 6.2168 6.2808 6.2808 6.4221 6.4221 6.4651 6.4651 10.4281 10.4281 10.7915 10.7915 10.8014 10.8014 11.0369 11.0369 k = 0.4848 0.5000-0.0000 ( 3888 PWs) bands (ev): -32.4736 -32.4736 -32.4719 -32.4719 -32.4705 -32.4705 -13.9083 -13.9083 -13.8724 -13.8724 -13.8282 -13.8282 -13.5658 -13.5658 -13.5469 -13.5469 -13.5073 -13.5073 -13.3747 -13.3747 -13.3294 -13.3294 -13.1375 -13.1375 -3.7834 -3.7834 -1.6307 -1.6307 4.6405 4.6405 4.6742 4.6742 6.2165 6.2165 6.2807 6.2807 6.4213 6.4213 6.4636 6.4636 10.4167 10.4167 10.7966 10.7966 10.8006 10.8006 11.0922 11.0923 k = 0.5000 0.5000-0.0000 ( 3900 PWs) bands (ev): -32.4723 -32.4723 -32.4719 -32.4719 -32.4719 -32.4719 -13.9085 -13.9085 -13.8723 -13.8723 -13.8284 -13.8284 -13.5658 -13.5658 -13.5469 -13.5469 -13.5074 -13.5074 -13.3746 -13.3746 -13.3296 -13.3296 -13.1374 -13.1374 -3.7825 -3.7825 -1.6304 -1.6304 4.6390 4.6390 4.6726 4.6726 6.2164 6.2164 6.2807 6.2807 6.4210 6.4210 6.4630 6.4630 10.4129 10.4129 10.7977 10.7977 10.8009 10.8009 11.1233 11.1241 k = 0.5000 0.5000-0.0000 ( 3900 PWs) bands (ev): -32.4723 -32.4723 -32.4719 -32.4719 -32.4719 -32.4719 -13.9085 -13.9085 -13.8723 -13.8723 -13.8284 -13.8284 -13.5658 -13.5658 -13.5469 -13.5469 -13.5074 -13.5074 -13.3746 -13.3746 -13.3296 -13.3296 -13.1374 -13.1374 -3.7825 -3.7825 -1.6304 -1.6304 4.6390 4.6390 4.6726 4.6726 6.2164 6.2164 6.2807 6.2807 6.4210 6.4210 6.4630 6.4630 10.4129 10.4129 10.7977 10.7977 10.8009 10.8009 11.1235 11.1300 k = 0.4894 0.4894-0.0000 ( 3884 PWs) bands (ev): -32.4736 -32.4736 -32.4719 -32.4719 -32.4706 -32.4706 -13.9083 -13.9083 -13.8724 -13.8724 -13.8282 -13.8282 -13.5658 -13.5658 -13.5469 -13.5469 -13.5073 -13.5073 -13.3747 -13.3747 -13.3294 -13.3294 -13.1375 -13.1375 -3.7834 -3.7834 -1.6307 -1.6307 4.6405 4.6405 4.6742 4.6742 6.2165 6.2165 6.2807 6.2807 6.4213 6.4213 6.4636 6.4636 10.4166 10.4166 10.7964 10.7964 10.8009 10.8009 11.0926 11.0927 k = 0.4787 0.4787-0.0000 ( 3868 PWs) bands (ev): -32.4752 -32.4752 -32.4717 -32.4717 -32.4691 -32.4691 -13.9080 -13.9080 -13.8725 -13.8725 -13.8277 -13.8277 -13.5657 -13.5657 -13.5470 -13.5470 -13.5069 -13.5069 -13.3752 -13.3752 -13.3289 -13.3289 -13.1379 -13.1379 -3.7861 -3.7861 -1.6316 -1.6316 4.6450 4.6450 4.6789 4.6789 6.2166 6.2166 6.2810 6.2810 6.4221 6.4221 6.4652 6.4652 10.4277 10.4277 10.7902 10.7902 10.8029 10.8029 11.0376 11.0377 k = 0.4681 0.4681-0.0000 ( 3872 PWs) bands (ev): -32.4769 -32.4769 -32.4716 -32.4716 -32.4676 -32.4676 -13.9074 -13.9074 -13.8728 -13.8728 -13.8269 -13.8269 -13.5656 -13.5656 -13.5472 -13.5472 -13.5064 -13.5064 -13.3760 -13.3760 -13.3282 -13.3282 -13.1387 -13.1387 -3.7906 -3.7906 -1.6330 -1.6330 4.6526 4.6526 4.6868 4.6868 6.2162 6.2162 6.2822 6.2822 6.4232 6.4232 6.4679 6.4679 10.4455 10.4455 10.7791 10.7791 10.8067 10.8067 10.9769 10.9769 k = 0.4574 0.4574-0.0000 ( 3872 PWs) bands (ev): -32.4785 -32.4785 -32.4713 -32.4713 -32.4662 -32.4662 -13.9067 -13.9067 -13.8732 -13.8732 -13.8258 -13.8258 -13.5655 -13.5655 -13.5475 -13.5475 -13.5056 -13.5056 -13.3771 -13.3771 -13.3271 -13.3271 -13.1397 -13.1397 -3.7969 -3.7969 -1.6351 -1.6351 4.6631 4.6631 4.6979 4.6979 6.2146 6.2146 6.2850 6.2850 6.4247 6.4247 6.4720 6.4720 10.4689 10.4689 10.7637 10.7637 10.8121 10.8121 10.9131 10.9131 k = 0.4468 0.4468-0.0000 ( 3854 PWs) bands (ev): -32.4802 -32.4802 -32.4710 -32.4710 -32.4649 -32.4649 -13.9057 -13.9057 -13.8737 -13.8737 -13.8243 -13.8243 -13.5653 -13.5653 -13.5477 -13.5477 -13.5046 -13.5046 -13.3785 -13.3785 -13.3258 -13.3258 -13.1410 -13.1410 -3.8049 -3.8049 -1.6377 -1.6377 4.6766 4.6766 4.7122 4.7122 6.2113 6.2113 6.2902 6.2902 6.4264 6.4264 6.4776 6.4776 10.4957 10.4957 10.7444 10.7444 10.8181 10.8181 10.8493 10.8493 k = 0.4362 0.4362-0.0000 ( 3854 PWs) bands (ev): -32.4819 -32.4819 -32.4706 -32.4706 -32.4636 -32.4636 -13.9046 -13.9046 -13.8742 -13.8742 -13.8226 -13.8226 -13.5652 -13.5652 -13.5480 -13.5480 -13.5034 -13.5034 -13.3801 -13.3801 -13.3243 -13.3243 -13.1426 -13.1426 -3.8146 -3.8146 -1.6410 -1.6410 4.6929 4.6929 4.7296 4.7296 6.2061 6.2061 6.2982 6.2982 6.4281 6.4281 6.4850 6.4850 10.5218 10.5218 10.7212 10.7212 10.7836 10.7836 10.8293 10.8293 k = 0.4255 0.4255-0.0000 ( 3850 PWs) bands (ev): -32.4837 -32.4837 -32.4702 -32.4702 -32.4623 -32.4623 -13.9035 -13.9035 -13.8749 -13.8749 -13.8206 -13.8206 -13.5650 -13.5650 -13.5483 -13.5483 -13.5021 -13.5021 -13.3820 -13.3820 -13.3225 -13.3225 -13.1443 -13.1443 -3.8260 -3.8260 -1.6448 -1.6448 4.7119 4.7119 4.7501 4.7501 6.1993 6.1993 6.3089 6.3089 6.4299 6.4299 6.4941 6.4941 10.5384 10.5384 10.6947 10.6947 10.7306 10.7306 10.8384 10.8384 k = 0.4149 0.4149-0.0000 ( 3860 PWs) bands (ev): -32.4855 -32.4855 -32.4697 -32.4697 -32.4611 -32.4611 -13.9023 -13.9023 -13.8756 -13.8756 -13.8184 -13.8184 -13.5648 -13.5648 -13.5485 -13.5485 -13.5007 -13.5007 -13.3842 -13.3842 -13.3207 -13.3207 -13.1463 -13.1463 -3.8390 -3.8390 -1.6492 -1.6492 4.7336 4.7336 4.7738 4.7738 6.1914 6.1914 6.3221 6.3221 6.4318 6.4318 6.5050 6.5050 10.5281 10.5281 10.6652 10.6652 10.7011 10.7011 10.8491 10.8491 k = 0.4043 0.4043-0.0000 ( 3856 PWs) bands (ev): -32.4873 -32.4873 -32.4691 -32.4691 -32.4599 -32.4599 -13.9011 -13.9011 -13.8763 -13.8763 -13.8159 -13.8159 -13.5646 -13.5646 -13.5486 -13.5486 -13.4990 -13.4990 -13.3865 -13.3865 -13.3186 -13.3186 -13.1484 -13.1484 -3.8535 -3.8535 -1.6542 -1.6542 4.7580 4.7580 4.8006 4.8006 6.1830 6.1830 6.3375 6.3375 6.4341 6.4341 6.5178 6.5178 10.4837 10.4837 10.6327 10.6327 10.6994 10.6994 10.8608 10.8608 k = 0.3936 0.3936-0.0000 ( 3854 PWs) bands (ev): -32.4891 -32.4891 -32.4685 -32.4685 -32.4587 -32.4587 -13.8999 -13.8999 -13.8771 -13.8771 -13.8133 -13.8133 -13.5643 -13.5643 -13.5487 -13.5487 -13.4972 -13.4972 -13.3890 -13.3890 -13.3164 -13.3164 -13.1507 -13.1507 -3.8695 -3.8695 -1.6598 -1.6598 4.7848 4.7848 4.8305 4.8305 6.1745 6.1745 6.3544 6.3544 6.4371 6.4371 6.5324 6.5324 10.4205 10.4205 10.5977 10.5977 10.7065 10.7065 10.8733 10.8733 k = 0.3830 0.3830-0.0000 ( 3852 PWs) bands (ev): -32.4909 -32.4909 -32.4678 -32.4678 -32.4576 -32.4576 -13.8987 -13.8987 -13.8779 -13.8779 -13.8105 -13.8105 -13.5640 -13.5640 -13.5486 -13.5486 -13.4953 -13.4953 -13.3917 -13.3917 -13.3141 -13.3141 -13.1529 -13.1529 -3.8868 -3.8868 -1.6659 -1.6659 4.8141 4.8141 4.8633 4.8633 6.1665 6.1665 6.3721 6.3721 6.4417 6.4417 6.5487 6.5487 10.3498 10.3498 10.5606 10.5606 10.7081 10.7081 10.8861 10.8861 k = 0.3723 0.3723-0.0000 ( 3860 PWs) bands (ev): -32.4927 -32.4927 -32.4671 -32.4671 -32.4565 -32.4565 -13.8977 -13.8977 -13.8787 -13.8787 -13.8076 -13.8076 -13.5636 -13.5636 -13.5485 -13.5485 -13.4932 -13.4932 -13.3946 -13.3946 -13.3116 -13.3116 -13.1553 -13.1553 -3.9055 -3.9055 -1.6726 -1.6726 4.8458 4.8458 4.8991 4.8991 6.1594 6.1594 6.3889 6.3889 6.4493 6.4493 6.5669 6.5669 10.2759 10.2759 10.5216 10.5216 10.6984 10.6984 10.8990 10.8990 k = 0.3617 0.3617-0.0000 ( 3862 PWs) bands (ev): -32.4946 -32.4946 -32.4663 -32.4663 -32.4555 -32.4555 -13.8968 -13.8968 -13.8795 -13.8795 -13.8046 -13.8046 -13.5631 -13.5631 -13.5482 -13.5482 -13.4909 -13.4909 -13.3977 -13.3977 -13.3091 -13.3091 -13.1577 -13.1577 -3.9254 -3.9254 -1.6798 -1.6798 4.8797 4.8797 4.9377 4.9377 6.1535 6.1535 6.4024 6.4024 6.4621 6.4621 6.5867 6.5867 10.2006 10.2006 10.4812 10.4812 10.6767 10.6767 10.9116 10.9116 k = 0.3511 0.3511-0.0000 ( 3850 PWs) bands (ev): -32.4965 -32.4965 -32.4654 -32.4654 -32.4545 -32.4545 -13.8961 -13.8961 -13.8802 -13.8802 -13.8015 -13.8015 -13.5625 -13.5625 -13.5478 -13.5478 -13.4885 -13.4885 -13.4008 -13.4008 -13.3064 -13.3064 -13.1601 -13.1601 -3.9464 -3.9464 -1.6876 -1.6876 4.9159 4.9159 4.9790 4.9790 6.1494 6.1494 6.4113 6.4113 6.4816 6.4816 6.6083 6.6083 10.1248 10.1248 10.4395 10.4395 10.6443 10.6443 10.9234 10.9235 k = 0.3404 0.3404-0.0000 ( 3838 PWs) bands (ev): -32.4983 -32.4983 -32.4646 -32.4646 -32.4536 -32.4536 -13.8955 -13.8955 -13.8809 -13.8809 -13.7985 -13.7985 -13.5617 -13.5617 -13.5474 -13.5474 -13.4859 -13.4859 -13.4040 -13.4040 -13.3036 -13.3036 -13.1623 -13.1623 -3.9684 -3.9684 -1.6959 -1.6959 4.9543 4.9543 5.0230 5.0230 6.1473 6.1473 6.4168 6.4168 6.5065 6.5065 6.6316 6.6316 10.0488 10.0488 10.3969 10.3969 10.6032 10.6032 10.9337 10.9338 k = 0.3298 0.3298-0.0000 ( 3846 PWs) bands (ev): -32.5002 -32.5002 -32.4637 -32.4637 -32.4527 -32.4527 -13.8952 -13.8952 -13.8817 -13.8817 -13.7956 -13.7956 -13.5608 -13.5608 -13.5470 -13.5470 -13.4832 -13.4832 -13.4074 -13.4074 -13.3007 -13.3007 -13.1645 -13.1645 -3.9914 -3.9914 -1.7047 -1.7047 4.9947 4.9947 5.0695 5.0695 6.1474 6.1474 6.4202 6.4202 6.5353 6.5353 6.6566 6.6566 9.9730 9.9730 10.3536 10.3536 10.5554 10.5554 10.9277 10.9324 k = 0.3191 0.3191-0.0000 ( 3850 PWs) bands (ev): -32.5021 -32.5021 -32.4627 -32.4627 -32.4518 -32.4518 -13.8952 -13.8952 -13.8823 -13.8823 -13.7929 -13.7929 -13.5597 -13.5597 -13.5465 -13.5465 -13.4804 -13.4804 -13.4108 -13.4108 -13.2977 -13.2977 -13.1666 -13.1666 -4.0151 -4.0151 -1.7139 -1.7139 5.0370 5.0370 5.1185 5.1185 6.1500 6.1500 6.4226 6.4226 6.5670 6.5670 6.6832 6.6832 9.8977 9.8977 10.3098 10.3098 10.5027 10.5027 10.8741 10.8741 k = 0.3085 0.3085-0.0000 ( 3846 PWs) bands (ev): -32.5040 -32.5040 -32.4617 -32.4617 -32.4510 -32.4510 -13.8954 -13.8954 -13.8829 -13.8829 -13.7903 -13.7903 -13.5585 -13.5585 -13.5459 -13.5459 -13.4774 -13.4774 -13.4142 -13.4142 -13.2946 -13.2946 -13.1685 -13.1685 -4.0396 -4.0396 -1.7236 -1.7236 5.0813 5.0813 5.1698 5.1698 6.1555 6.1555 6.4244 6.4244 6.6009 6.6009 6.7114 6.7114 9.8230 9.8230 10.2658 10.2658 10.4463 10.4463 10.8122 10.8122 k = 0.2979 0.2979-0.0000 ( 3850 PWs) bands (ev): -32.5058 -32.5058 -32.4608 -32.4608 -32.4502 -32.4502 -13.8958 -13.8958 -13.8835 -13.8835 -13.7879 -13.7879 -13.5571 -13.5571 -13.5454 -13.5454 -13.4743 -13.4743 -13.4176 -13.4176 -13.2913 -13.2913 -13.1702 -13.1702 -4.0647 -4.0647 -1.7338 -1.7338 5.1274 5.1274 5.2233 5.2233 6.1638 6.1638 6.4259 6.4259 6.6368 6.6368 6.7413 6.7413 9.7492 9.7492 10.2217 10.2217 10.3872 10.3872 10.7436 10.7436 k = 0.2872 0.2872-0.0000 ( 3844 PWs) bands (ev): -32.5077 -32.5077 -32.4597 -32.4597 -32.4494 -32.4494 -13.8964 -13.8964 -13.8841 -13.8841 -13.7858 -13.7858 -13.5556 -13.5556 -13.5447 -13.5447 -13.4711 -13.4711 -13.4207 -13.4207 -13.2878 -13.2878 -13.1718 -13.1718 -4.0902 -4.0902 -1.7443 -1.7443 5.1752 5.1752 5.2788 5.2788 6.1753 6.1753 6.4272 6.4272 6.6744 6.6744 6.7728 6.7728 9.6763 9.6763 10.1778 10.1778 10.3264 10.3264 10.6688 10.6688 k = 0.2766 0.2766-0.0000 ( 3840 PWs) bands (ev): -32.5095 -32.5095 -32.4587 -32.4587 -32.4487 -32.4487 -13.8971 -13.8971 -13.8848 -13.8848 -13.7840 -13.7840 -13.5541 -13.5541 -13.5441 -13.5441 -13.4680 -13.4680 -13.4238 -13.4238 -13.2842 -13.2842 -13.1732 -13.1732 -4.1161 -4.1161 -1.7552 -1.7552 5.2246 5.2246 5.3362 5.3362 6.1901 6.1901 6.4284 6.4284 6.7134 6.7134 6.8060 6.8060 9.6045 9.6045 10.1342 10.1342 10.2644 10.2644 10.5885 10.5885 k = 0.2660 0.2660-0.0000 ( 3846 PWs) bands (ev): -32.5113 -32.5113 -32.4577 -32.4577 -32.4480 -32.4480 -13.8980 -13.8980 -13.8856 -13.8856 -13.7825 -13.7825 -13.5525 -13.5525 -13.5435 -13.5435 -13.4649 -13.4649 -13.4265 -13.4265 -13.2804 -13.2804 -13.1743 -13.1743 -4.1422 -4.1422 -1.7663 -1.7663 5.2755 5.2755 5.3953 5.3953 6.2083 6.2083 6.4295 6.4295 6.7538 6.7538 6.8407 6.8407 9.5339 9.5339 10.0911 10.0911 10.2017 10.2017 10.5034 10.5034 k = 0.2553 0.2553-0.0000 ( 3854 PWs) bands (ev): -32.5131 -32.5131 -32.4566 -32.4566 -32.4473 -32.4473 -13.8990 -13.8990 -13.8864 -13.8864 -13.7813 -13.7813 -13.5510 -13.5510 -13.5429 -13.5429 -13.4621 -13.4621 -13.4288 -13.4288 -13.2764 -13.2764 -13.1753 -13.1753 -4.1685 -4.1685 -1.7777 -1.7777 5.3278 5.3278 5.4560 5.4560 6.2300 6.2300 6.4306 6.4306 6.7954 6.7954 6.8769 6.8769 9.4646 9.4646 10.0487 10.0487 10.1389 10.1389 10.4141 10.4141 k = 0.2447 0.2447-0.0000 ( 3862 PWs) bands (ev): -32.5148 -32.5148 -32.4556 -32.4556 -32.4467 -32.4467 -13.9001 -13.9001 -13.8874 -13.8874 -13.7804 -13.7804 -13.5495 -13.5495 -13.5422 -13.5422 -13.4596 -13.4596 -13.4306 -13.4306 -13.2722 -13.2722 -13.1761 -13.1761 -4.1948 -4.1948 -1.7894 -1.7894 5.3814 5.3814 5.5179 5.5179 6.2554 6.2554 6.4318 6.4318 6.8381 6.8381 6.9147 6.9147 9.3967 9.3967 10.0070 10.0070 10.0762 10.0762 10.3213 10.3213 k = 0.2340 0.2340-0.0000 ( 3860 PWs) bands (ev): -32.5165 -32.5165 -32.4545 -32.4545 -32.4461 -32.4461 -13.9012 -13.9012 -13.8885 -13.8885 -13.7798 -13.7798 -13.5482 -13.5482 -13.5415 -13.5415 -13.4577 -13.4577 -13.4315 -13.4315 -13.2678 -13.2678 -13.1768 -13.1768 -4.2210 -4.2210 -1.8011 -1.8011 5.4361 5.4361 5.5807 5.5807 6.2848 6.2848 6.4329 6.4329 6.8816 6.8816 6.9540 6.9540 9.3304 9.3304 9.9663 9.9663 10.0140 10.0140 10.2257 10.2257 k = 0.2234 0.2234-0.0000 ( 3864 PWs) bands (ev): -32.5182 -32.5182 -32.4535 -32.4535 -32.4456 -32.4456 -13.9024 -13.9024 -13.8897 -13.8897 -13.7795 -13.7795 -13.5470 -13.5470 -13.5408 -13.5408 -13.4565 -13.4565 -13.4314 -13.4314 -13.2631 -13.2631 -13.1772 -13.1772 -4.2469 -4.2469 -1.8130 -1.8130 5.4918 5.4918 5.6441 5.6441 6.3181 6.3181 6.4340 6.4340 6.9258 6.9258 6.9946 6.9946 9.2658 9.2658 9.9267 9.9267 9.9526 9.9526 10.1277 10.1277 k = 0.2128 0.2128-0.0000 ( 3860 PWs) bands (ev): -32.5198 -32.5198 -32.4524 -32.4524 -32.4450 -32.4450 -13.9036 -13.9036 -13.8911 -13.8911 -13.7794 -13.7794 -13.5459 -13.5459 -13.5401 -13.5401 -13.4561 -13.4561 -13.4304 -13.4304 -13.2581 -13.2581 -13.1775 -13.1775 -4.2726 -4.2726 -1.8249 -1.8249 5.5485 5.5485 5.7077 5.7077 6.3558 6.3558 6.4351 6.4351 6.9706 6.9706 7.0366 7.0366 9.2029 9.2029 9.8881 9.8881 9.8921 9.8921 10.0282 10.0282 k = 0.2021 0.2021-0.0000 ( 3864 PWs) bands (ev): -32.5214 -32.5214 -32.4514 -32.4514 -32.4445 -32.4445 -13.9048 -13.9048 -13.8926 -13.8926 -13.7795 -13.7795 -13.5450 -13.5450 -13.5394 -13.5394 -13.4562 -13.4562 -13.4286 -13.4286 -13.2530 -13.2530 -13.1777 -13.1777 -4.2978 -4.2978 -1.8368 -1.8368 5.6058 5.6058 5.7711 5.7711 6.3980 6.3980 6.4363 6.4363 7.0160 7.0160 7.0798 7.0798 9.1418 9.1418 9.8325 9.8325 9.8509 9.8509 9.9276 9.9276 k = 0.1915 0.1915-0.0000 ( 3868 PWs) bands (ev): -32.5229 -32.5229 -32.4504 -32.4504 -32.4441 -32.4441 -13.9060 -13.9060 -13.8942 -13.8942 -13.7798 -13.7798 -13.5443 -13.5443 -13.5389 -13.5389 -13.4567 -13.4567 -13.4263 -13.4263 -13.2476 -13.2476 -13.1777 -13.1777 -4.3224 -4.3224 -1.8485 -1.8485 5.6637 5.6637 5.8336 5.8336 6.4375 6.4375 6.4449 6.4449 7.0616 7.0616 7.1240 7.1240 9.0828 9.0828 9.7738 9.7738 9.8150 9.8150 9.8268 9.8268 k = 0.1809 0.1809-0.0000 ( 3860 PWs) bands (ev): -32.5244 -32.5244 -32.4494 -32.4494 -32.4437 -32.4437 -13.9073 -13.9073 -13.8959 -13.8959 -13.7802 -13.7802 -13.5437 -13.5437 -13.5384 -13.5384 -13.4573 -13.4573 -13.4237 -13.4237 -13.2420 -13.2420 -13.1776 -13.1776 -4.3464 -4.3464 -1.8601 -1.8601 5.7219 5.7219 5.8948 5.8948 6.4387 6.4387 6.4969 6.4969 7.1076 7.1076 7.1692 7.1692 9.0258 9.0258 9.7113 9.7113 9.7308 9.7308 9.7807 9.7807 k = 0.1702 0.1702-0.0000 ( 3864 PWs) bands (ev): -32.5258 -32.5258 -32.4485 -32.4485 -32.4432 -32.4432 -13.9085 -13.9085 -13.8977 -13.8977 -13.7808 -13.7808 -13.5432 -13.5432 -13.5380 -13.5380 -13.4578 -13.4578 -13.4211 -13.4211 -13.2363 -13.2363 -13.1774 -13.1774 -4.3696 -4.3696 -1.8715 -1.8715 5.7803 5.7803 5.9542 5.9542 6.4400 6.4400 6.5542 6.5542 7.1536 7.1536 7.2149 7.2149 8.9709 8.9709 9.6193 9.6193 9.6661 9.6661 9.7478 9.7478 k = 0.1596 0.1596-0.0000 ( 3860 PWs) bands (ev): -32.5271 -32.5271 -32.4476 -32.4476 -32.4429 -32.4429 -13.9097 -13.9097 -13.8995 -13.8995 -13.7815 -13.7815 -13.5428 -13.5428 -13.5377 -13.5377 -13.4583 -13.4583 -13.4186 -13.4186 -13.2304 -13.2304 -13.1771 -13.1771 -4.3919 -4.3919 -1.8826 -1.8826 5.8385 5.8385 6.0111 6.0111 6.4413 6.4413 6.6168 6.6168 7.1997 7.1997 7.2612 7.2612 8.9184 8.9184 9.5193 9.5193 9.6115 9.6115 9.7166 9.7166 k = 0.1489 0.1489-0.0000 ( 3858 PWs) bands (ev): -32.5284 -32.5284 -32.4467 -32.4467 -32.4425 -32.4425 -13.9108 -13.9108 -13.9015 -13.9015 -13.7822 -13.7822 -13.5424 -13.5424 -13.5376 -13.5376 -13.4586 -13.4586 -13.4161 -13.4161 -13.2246 -13.2246 -13.1768 -13.1768 -4.4133 -4.4133 -1.8934 -1.8934 5.8963 5.8963 6.0653 6.0653 6.4426 6.4426 6.6849 6.6849 7.2457 7.2457 7.3077 7.3077 8.8683 8.8683 9.4196 9.4196 9.5590 9.5590 9.6870 9.6870 k = 0.1383 0.1383-0.0000 ( 3858 PWs) bands (ev): -32.5296 -32.5296 -32.4459 -32.4459 -32.4422 -32.4422 -13.9120 -13.9120 -13.9034 -13.9034 -13.7829 -13.7829 -13.5421 -13.5421 -13.5377 -13.5377 -13.4587 -13.4587 -13.4138 -13.4138 -13.2188 -13.2188 -13.1765 -13.1765 -4.4337 -4.4337 -1.9037 -1.9037 5.9533 5.9533 6.1164 6.1164 6.4440 6.4440 6.7582 6.7582 7.2914 7.2914 7.3543 7.3543 8.8207 8.8207 9.3212 9.3212 9.5079 9.5079 9.6592 9.6592 k = 0.1277 0.1277-0.0000 ( 3850 PWs) bands (ev): -32.5308 -32.5308 -32.4451 -32.4451 -32.4419 -32.4419 -13.9130 -13.9130 -13.9053 -13.9053 -13.7837 -13.7837 -13.5419 -13.5419 -13.5378 -13.5378 -13.4587 -13.4587 -13.4116 -13.4116 -13.2130 -13.2130 -13.1761 -13.1761 -4.4529 -4.4529 -1.9135 -1.9135 6.0091 6.0091 6.1643 6.1643 6.4455 6.4455 6.8363 6.8363 7.3366 7.3366 7.4007 7.4007 8.7757 8.7757 9.2246 9.2246 9.4580 9.4580 9.6333 9.6333 k = 0.1170 0.1170-0.0000 ( 3853 PWs) bands (ev): -32.5318 -32.5318 -32.4443 -32.4443 -32.4416 -32.4416 -13.9141 -13.9141 -13.9073 -13.9073 -13.7845 -13.7845 -13.5417 -13.5417 -13.5380 -13.5380 -13.4586 -13.4586 -13.4096 -13.4096 -13.2074 -13.2074 -13.1757 -13.1757 -4.4709 -4.4709 -1.9228 -1.9228 6.0634 6.0634 6.2089 6.2089 6.4471 6.4471 6.9189 6.9189 7.3812 7.3812 7.4466 7.4466 8.7335 8.7335 9.1304 9.1304 9.4086 9.4086 9.6091 9.6091 k = 0.1064 0.1064-0.0000 ( 3853 PWs) bands (ev): -32.5328 -32.5328 -32.4436 -32.4436 -32.4414 -32.4414 -13.9150 -13.9150 -13.9092 -13.9092 -13.7852 -13.7852 -13.5415 -13.5415 -13.5383 -13.5383 -13.4584 -13.4584 -13.4079 -13.4079 -13.2021 -13.2021 -13.1752 -13.1752 -4.4875 -4.4875 -1.9315 -1.9315 6.1154 6.1154 6.2501 6.2501 6.4489 6.4489 7.0052 7.0052 7.4250 7.4250 7.4918 7.4918 8.6940 8.6940 9.0390 9.0390 9.3593 9.3593 9.5870 9.5870 k = 0.0957 0.0957-0.0000 ( 3851 PWs) bands (ev): -32.5337 -32.5337 -32.4430 -32.4430 -32.4411 -32.4411 -13.9159 -13.9159 -13.9110 -13.9110 -13.7859 -13.7859 -13.5413 -13.5413 -13.5386 -13.5386 -13.4582 -13.4582 -13.4063 -13.4063 -13.1970 -13.1970 -13.1748 -13.1748 -4.5029 -4.5029 -1.9396 -1.9396 6.1647 6.1647 6.2881 6.2881 6.4509 6.4509 7.0944 7.0944 7.4678 7.4678 7.5360 7.5360 8.6574 8.6574 8.9509 8.9509 9.3090 9.3090 9.5668 9.5668 k = 0.0851 0.0851-0.0000 ( 3849 PWs) bands (ev): -32.5345 -32.5345 -32.4424 -32.4424 -32.4409 -32.4409 -13.9167 -13.9167 -13.9127 -13.9127 -13.7866 -13.7866 -13.5411 -13.5411 -13.5389 -13.5389 -13.4578 -13.4578 -13.4049 -13.4049 -13.1922 -13.1922 -13.1744 -13.1744 -4.5168 -4.5168 -1.9469 -1.9469 6.2103 6.2103 6.3230 6.3230 6.4531 6.4531 7.1853 7.1853 7.5093 7.5093 7.5787 7.5787 8.6238 8.6238 8.8669 8.8669 9.2568 9.2568 9.5487 9.5487 k = 0.0745 0.0745-0.0000 ( 3855 PWs) bands (ev): -32.5352 -32.5352 -32.4419 -32.4419 -32.4408 -32.4408 -13.9175 -13.9175 -13.9143 -13.9143 -13.7872 -13.7872 -13.5410 -13.5410 -13.5393 -13.5393 -13.4575 -13.4575 -13.4037 -13.4037 -13.1879 -13.1879 -13.1741 -13.1741 -4.5292 -4.5292 -1.9535 -1.9535 6.2515 6.2515 6.3547 6.3547 6.4557 6.4557 7.2766 7.2766 7.5495 7.5495 7.6194 7.6194 8.5932 8.5932 8.7877 8.7877 9.2015 9.2015 9.5325 9.5325 k = 0.0638 0.0638-0.0000 ( 3863 PWs) bands (ev): -32.5358 -32.5358 -32.4415 -32.4415 -32.4406 -32.4406 -13.9182 -13.9182 -13.9158 -13.9158 -13.7877 -13.7877 -13.5410 -13.5410 -13.5396 -13.5396 -13.4572 -13.4572 -13.4027 -13.4027 -13.1841 -13.1841 -13.1738 -13.1738 -4.5400 -4.5400 -1.9593 -1.9593 6.2874 6.2874 6.3835 6.3835 6.4587 6.4587 7.3662 7.3662 7.5884 7.5884 7.6576 7.6576 8.5656 8.5656 8.7141 8.7141 9.1423 9.1423 9.5185 9.5185 k = 0.0532 0.0532-0.0000 ( 3863 PWs) bands (ev): -32.5363 -32.5363 -32.4411 -32.4411 -32.4405 -32.4405 -13.9188 -13.9188 -13.9171 -13.9171 -13.7881 -13.7881 -13.5409 -13.5409 -13.5399 -13.5399 -13.4569 -13.4569 -13.4019 -13.4019 -13.1807 -13.1807 -13.1735 -13.1735 -4.5493 -4.5493 -1.9643 -1.9643 6.3172 6.3172 6.4093 6.4093 6.4622 6.4622 7.4512 7.4512 7.6263 7.6263 7.6928 7.6928 8.5409 8.5409 8.6473 8.6473 9.0797 9.0797 9.5065 9.5066 k = 0.0426 0.0426-0.0000 ( 3867 PWs) bands (ev): -32.5368 -32.5368 -32.4408 -32.4408 -32.4404 -32.4404 -13.9192 -13.9192 -13.9181 -13.9181 -13.7885 -13.7885 -13.5408 -13.5408 -13.5402 -13.5402 -13.4567 -13.4567 -13.4012 -13.4012 -13.1779 -13.1779 -13.1732 -13.1732 -4.5569 -4.5569 -1.9684 -1.9684 6.3405 6.3405 6.4319 6.4319 6.4660 6.4660 7.5267 7.5267 7.6646 7.6646 7.7239 7.7239 8.5192 8.5192 8.5886 8.5886 9.0164 9.0164 9.4967 9.4968 k = 0.0319 0.0319-0.0000 ( 3875 PWs) bands (ev): -32.5371 -32.5371 -32.4406 -32.4406 -32.4403 -32.4403 -13.9196 -13.9196 -13.9190 -13.9190 -13.7888 -13.7888 -13.5408 -13.5408 -13.5404 -13.5404 -13.4565 -13.4565 -13.4007 -13.4007 -13.1757 -13.1757 -13.1730 -13.1730 -4.5629 -4.5629 -1.9716 -1.9716 6.3575 6.3575 6.4505 6.4505 6.4699 6.4699 7.5863 7.5863 7.7048 7.7048 7.7501 7.7501 8.5005 8.5005 8.5398 8.5398 8.9570 8.9570 9.4897 9.5190 k = 0.0213 0.0213-0.0000 ( 3887 PWs) bands (ev): -32.5373 -32.5373 -32.4404 -32.4404 -32.4403 -32.4403 -13.9199 -13.9199 -13.9196 -13.9196 -13.7890 -13.7890 -13.5408 -13.5408 -13.5406 -13.5406 -13.4563 -13.4563 -13.4004 -13.4004 -13.1741 -13.1741 -13.1729 -13.1729 -4.5672 -4.5672 -1.9739 -1.9739 6.3688 6.3688 6.4646 6.4646 6.4733 6.4733 7.6258 7.6258 7.7450 7.7450 7.7702 7.7702 8.4853 8.4853 8.5026 8.5026 8.9075 8.9075 9.4838 9.4905 k = 0.0106 0.0106-0.0000 ( 3887 PWs) bands (ev): -32.5375 -32.5375 -32.4403 -32.4403 -32.4403 -32.4403 -13.9201 -13.9201 -13.9200 -13.9200 -13.7892 -13.7892 -13.5407 -13.5407 -13.5407 -13.5407 -13.4562 -13.4562 -13.4002 -13.4002 -13.1731 -13.1731 -13.1728 -13.1728 -4.5698 -4.5698 -1.9753 -1.9753 6.3751 6.3751 6.4734 6.4734 6.4756 6.4756 7.6471 7.6471 7.7758 7.7758 7.7830 7.7830 8.4750 8.4750 8.4792 8.4792 8.8745 8.8745 9.4810 9.4829 k = 0.0000 0.0000 0.0000 ( 3887 PWs) bands (ev): -32.5375 -32.5375 -32.4403 -32.4403 -32.4403 -32.4403 -13.9201 -13.9201 -13.9201 -13.9201 -13.7892 -13.7892 -13.5407 -13.5407 -13.5407 -13.5407 -13.4562 -13.4562 -13.4001 -13.4001 -13.1728 -13.1728 -13.1728 -13.1728 -4.5706 -4.5706 -1.9758 -1.9758 6.3772 6.3772 6.4764 6.4764 6.4764 6.4764 7.6538 7.6538 7.7874 7.7874 7.7874 7.7874 8.4712 8.4712 8.4712 8.4712 8.8628 8.8628 9.4790 9.4796 k = 0.0000 0.0000 0.0000 ( 3887 PWs) bands (ev): -32.5375 -32.5375 -32.4403 -32.4403 -32.4403 -32.4403 -13.9201 -13.9201 -13.9201 -13.9201 -13.7892 -13.7892 -13.5407 -13.5407 -13.5407 -13.5407 -13.4562 -13.4562 -13.4001 -13.4001 -13.1728 -13.1728 -13.1728 -13.1728 -4.5706 -4.5706 -1.9758 -1.9758 6.3772 6.3772 6.4764 6.4764 6.4764 6.4764 7.6538 7.6538 7.7874 7.7874 7.7874 7.7874 8.4712 8.4712 8.4712 8.4712 8.8628 8.8628 9.4786 9.4794 k = 0.0086 0.0086 0.0086 ( 3887 PWs) bands (ev): -32.5375 -32.5375 -32.4403 -32.4403 -32.4403 -32.4403 -13.9201 -13.9201 -13.9200 -13.9200 -13.7892 -13.7892 -13.5407 -13.5407 -13.5407 -13.5407 -13.4562 -13.4562 -13.4002 -13.4002 -13.1731 -13.1731 -13.1728 -13.1728 -4.5698 -4.5698 -1.9753 -1.9753 6.3752 6.3752 6.4739 6.4739 6.4751 6.4751 7.6473 7.6473 7.7762 7.7762 7.7828 7.7828 8.4767 8.4767 8.4774 8.4774 8.8742 8.8742 9.4814 9.4830 k = 0.0172 0.0172 0.0172 ( 3887 PWs) bands (ev): -32.5373 -32.5373 -32.4403 -32.4403 -32.4403 -32.4403 -13.9199 -13.9199 -13.9197 -13.9197 -13.7890 -13.7890 -13.5408 -13.5408 -13.5406 -13.5406 -13.4563 -13.4563 -13.4004 -13.4004 -13.1741 -13.1741 -13.1728 -13.1728 -4.5673 -4.5673 -1.9739 -1.9739 6.3692 6.3692 6.4666 6.4666 6.4713 6.4713 7.6264 7.6264 7.7461 7.7461 7.7694 7.7694 8.4929 8.4929 8.4953 8.4953 8.9061 8.9061 9.4908 9.4944 k = 0.0259 0.0259 0.0259 ( 3875 PWs) bands (ev): -32.5371 -32.5371 -32.4404 -32.4404 -32.4404 -32.4404 -13.9196 -13.9196 -13.9190 -13.9190 -13.7888 -13.7888 -13.5408 -13.5408 -13.5404 -13.5404 -13.4564 -13.4564 -13.4007 -13.4007 -13.1757 -13.1757 -13.1729 -13.1729 -4.5630 -4.5630 -1.9717 -1.9717 6.3590 6.3590 6.4544 6.4544 6.4651 6.4651 7.5881 7.5881 7.7062 7.7062 7.7483 7.7483 8.5188 8.5188 8.5237 8.5237 8.9526 8.9526 9.5017 9.5035 k = 0.0345 0.0345 0.0345 ( 3863 PWs) bands (ev): -32.5368 -32.5368 -32.4406 -32.4406 -32.4406 -32.4406 -13.9193 -13.9193 -13.9182 -13.9182 -13.7885 -13.7885 -13.5408 -13.5408 -13.5402 -13.5402 -13.4566 -13.4566 -13.4012 -13.4012 -13.1780 -13.1780 -13.1730 -13.1730 -4.5571 -4.5571 -1.9685 -1.9685 6.3448 6.3448 6.4378 6.4378 6.4567 6.4567 7.5300 7.5300 7.6655 7.6655 7.7210 7.7210 8.5532 8.5532 8.5609 8.5609 9.0070 9.0070 9.5185 9.5190 k = 0.0431 0.0431 0.0431 ( 3860 PWs) bands (ev): -32.5363 -32.5363 -32.4408 -32.4408 -32.4408 -32.4408 -13.9188 -13.9188 -13.9171 -13.9171 -13.7882 -13.7882 -13.5408 -13.5408 -13.5399 -13.5399 -13.4569 -13.4569 -13.4019 -13.4019 -13.1809 -13.1809 -13.1731 -13.1731 -4.5496 -4.5496 -1.9644 -1.9644 6.3264 6.3264 6.4170 6.4170 6.4463 6.4463 7.4555 7.4555 7.6267 7.6267 7.6888 7.6888 8.5947 8.5947 8.6054 8.6054 9.0637 9.0637 9.5403 9.5418 k = 0.0517 0.0517 0.0517 ( 3860 PWs) bands (ev): -32.5358 -32.5358 -32.4410 -32.4410 -32.4410 -32.4410 -13.9183 -13.9183 -13.9158 -13.9158 -13.7877 -13.7877 -13.5410 -13.5410 -13.5396 -13.5396 -13.4571 -13.4571 -13.4028 -13.4028 -13.1843 -13.1843 -13.1733 -13.1733 -4.5404 -4.5404 -1.9595 -1.9595 6.3041 6.3041 6.3925 6.3925 6.4338 6.4338 7.3711 7.3711 7.5885 7.5885 7.6529 7.6529 8.6420 8.6420 8.6554 8.6554 9.1193 9.1193 9.5663 9.5676 k = 0.0603 0.0603 0.0603 ( 3854 PWs) bands (ev): -32.5352 -32.5352 -32.4413 -32.4413 -32.4413 -32.4413 -13.9177 -13.9177 -13.9143 -13.9143 -13.7872 -13.7872 -13.5412 -13.5412 -13.5391 -13.5391 -13.4574 -13.4574 -13.4039 -13.4039 -13.1882 -13.1882 -13.1734 -13.1734 -4.5296 -4.5296 -1.9538 -1.9538 6.2782 6.2782 6.3646 6.3646 6.4190 6.4190 7.2818 7.2818 7.5495 7.5495 7.6141 7.6141 8.6942 8.6942 8.7099 8.7099 9.1722 9.1722 9.5974 9.5994 k = 0.0690 0.0690 0.0690 ( 3857 PWs) bands (ev): -32.5345 -32.5345 -32.4417 -32.4417 -32.4417 -32.4417 -13.9172 -13.9172 -13.9127 -13.9127 -13.7866 -13.7866 -13.5415 -13.5415 -13.5386 -13.5386 -13.4577 -13.4577 -13.4052 -13.4052 -13.1925 -13.1925 -13.1736 -13.1736 -4.5172 -4.5172 -1.9473 -1.9473 6.2490 6.2490 6.3337 6.3337 6.4015 6.4015 7.1911 7.1911 7.5092 7.5092 7.5731 7.5731 8.7501 8.7501 8.7676 8.7676 9.2227 9.2227 9.6331 9.6338 k = 0.0776 0.0776 0.0776 ( 3851 PWs) bands (ev): -32.5337 -32.5337 -32.4420 -32.4420 -32.4420 -32.4420 -13.9165 -13.9165 -13.9109 -13.9109 -13.7859 -13.7859 -13.5419 -13.5419 -13.5380 -13.5380 -13.4579 -13.4579 -13.4067 -13.4067 -13.1972 -13.1972 -13.1738 -13.1738 -4.5034 -4.5034 -1.9400 -1.9400 6.2170 6.2170 6.3004 6.3004 6.3807 6.3807 7.1018 7.1018 7.4676 7.4676 7.5304 7.5304 8.8089 8.8089 8.8279 8.8279 9.2715 9.2715 9.6738 9.6747 k = 0.0862 0.0862 0.0862 ( 3845 PWs) bands (ev): -32.5328 -32.5328 -32.4425 -32.4425 -32.4425 -32.4425 -13.9159 -13.9159 -13.9090 -13.9090 -13.7852 -13.7852 -13.5424 -13.5424 -13.5373 -13.5373 -13.4580 -13.4580 -13.4085 -13.4085 -13.2022 -13.2022 -13.1740 -13.1740 -4.4880 -4.4880 -1.9320 -1.9320 6.1826 6.1826 6.2650 6.2650 6.3559 6.3559 7.0158 7.0158 7.4245 7.4245 7.4862 7.4862 8.8700 8.8700 8.8899 8.8899 9.3196 9.3196 9.7190 9.7208 k = 0.0948 0.0948 0.0948 ( 3851 PWs) bands (ev): -32.5319 -32.5319 -32.4429 -32.4429 -32.4429 -32.4429 -13.9153 -13.9153 -13.9070 -13.9070 -13.7844 -13.7844 -13.5431 -13.5431 -13.5364 -13.5364 -13.4581 -13.4581 -13.4107 -13.4107 -13.2073 -13.2073 -13.1742 -13.1742 -4.4712 -4.4712 -1.9234 -1.9234 6.1462 6.1462 6.2280 6.2280 6.3261 6.3261 6.9350 6.9350 7.3802 7.3802 7.4408 7.4408 8.9326 8.9326 8.9532 8.9532 9.3678 9.3678 9.7689 9.7689 k = 0.1034 0.1034 0.1034 ( 3851 PWs) bands (ev): -32.5309 -32.5309 -32.4434 -32.4434 -32.4434 -32.4434 -13.9147 -13.9147 -13.9049 -13.9049 -13.7836 -13.7836 -13.5441 -13.5441 -13.5354 -13.5354 -13.4581 -13.4581 -13.4132 -13.4132 -13.2125 -13.2125 -13.1744 -13.1744 -4.4530 -4.4530 -1.9141 -1.9141 6.1082 6.1082 6.1897 6.1897 6.2905 6.2905 6.8611 6.8611 7.3348 7.3348 7.3944 7.3944 8.9964 8.9964 9.0171 9.0171 9.4168 9.4168 9.8232 9.8235 k = 0.1121 0.1121 0.1121 ( 3857 PWs) bands (ev): -32.5297 -32.5297 -32.4440 -32.4440 -32.4440 -32.4440 -13.9142 -13.9142 -13.9028 -13.9028 -13.7828 -13.7828 -13.5452 -13.5452 -13.5343 -13.5343 -13.4579 -13.4579 -13.4161 -13.4161 -13.2178 -13.2178 -13.1746 -13.1746 -4.4335 -4.4335 -1.9043 -1.9043 6.0688 6.0688 6.1505 6.1505 6.2485 6.2485 6.7952 6.7952 7.2884 7.2884 7.3472 7.3472 9.0609 9.0609 9.0815 9.0815 9.4670 9.4670 9.8819 9.8819 k = 0.1207 0.1207 0.1207 ( 3866 PWs) bands (ev): -32.5286 -32.5286 -32.4445 -32.4445 -32.4445 -32.4445 -13.9138 -13.9138 -13.9007 -13.9007 -13.7820 -13.7820 -13.5466 -13.5466 -13.5329 -13.5329 -13.4576 -13.4576 -13.4194 -13.4194 -13.2229 -13.2229 -13.1748 -13.1748 -4.4127 -4.4127 -1.8941 -1.8941 6.0282 6.0282 6.1106 6.1106 6.2001 6.2001 6.7380 6.7380 7.2411 7.2411 7.2992 7.2992 9.1257 9.1257 9.1459 9.1459 9.5187 9.5187 9.9446 9.9448 k = 0.1293 0.1293 0.1293 ( 3869 PWs) bands (ev): -32.5273 -32.5273 -32.4451 -32.4451 -32.4451 -32.4451 -13.9135 -13.9135 -13.8986 -13.8986 -13.7813 -13.7813 -13.5482 -13.5482 -13.5314 -13.5314 -13.4572 -13.4572 -13.4231 -13.4231 -13.2277 -13.2277 -13.1749 -13.1749 -4.3906 -4.3906 -1.8833 -1.8833 5.9864 5.9864 6.0704 6.0704 6.1459 6.1459 6.6893 6.6893 7.1931 7.1931 7.2507 7.2507 9.1907 9.1907 9.2102 9.2102 9.5722 9.5722 10.0112 10.0112 k = 0.1379 0.1379 0.1379 ( 3869 PWs) bands (ev): -32.5260 -32.5260 -32.4458 -32.4458 -32.4458 -32.4458 -13.9132 -13.9132 -13.8965 -13.8965 -13.7806 -13.7806 -13.5500 -13.5500 -13.5296 -13.5296 -13.4567 -13.4567 -13.4271 -13.4271 -13.2323 -13.2323 -13.1750 -13.1750 -4.3675 -4.3675 -1.8723 -1.8723 5.9434 5.9434 6.0301 6.0301 6.0876 6.0876 6.6482 6.6482 7.1444 7.1444 7.2016 7.2016 9.2555 9.2555 9.2744 9.2744 9.6273 9.6273 10.0814 10.0814 k = 0.1466 0.1466 0.1466 ( 3869 PWs) bands (ev): -32.5246 -32.5246 -32.4464 -32.4464 -32.4464 -32.4464 -13.9131 -13.9131 -13.8944 -13.8944 -13.7800 -13.7800 -13.5521 -13.5521 -13.5276 -13.5276 -13.4562 -13.4562 -13.4314 -13.4314 -13.2364 -13.2364 -13.1751 -13.1751 -4.3432 -4.3432 -1.8609 -1.8609 5.8986 5.8986 5.9899 5.9899 6.0272 6.0272 6.6136 6.6136 7.0953 7.0953 7.1523 7.1523 9.3202 9.3202 9.3382 9.3382 9.6843 9.6843 10.1547 10.1547 k = 0.1552 0.1552 0.1552 ( 3863 PWs) bands (ev): -32.5231 -32.5231 -32.4471 -32.4471 -32.4471 -32.4471 -13.9130 -13.9130 -13.8925 -13.8925 -13.7796 -13.7796 -13.5544 -13.5544 -13.5253 -13.5253 -13.4560 -13.4560 -13.4356 -13.4356 -13.2399 -13.2399 -13.1751 -13.1751 -4.3180 -4.3180 -1.8492 -1.8492 5.8515 5.8515 5.9500 5.9500 5.9673 5.9673 6.5840 6.5840 7.0457 7.0457 7.1027 7.1027 9.3846 9.3846 9.4017 9.4017 9.7430 9.7430 10.2306 10.2306 k = 0.1638 0.1638 0.1638 ( 3851 PWs) bands (ev): -32.5216 -32.5216 -32.4478 -32.4478 -32.4478 -32.4478 -13.9131 -13.9131 -13.8907 -13.8907 -13.7794 -13.7794 -13.5569 -13.5569 -13.5228 -13.5228 -13.4567 -13.4567 -13.4393 -13.4393 -13.2429 -13.2429 -13.1750 -13.1750 -4.2918 -4.2918 -1.8375 -1.8375 5.8009 5.8009 5.9102 5.9102 5.9106 5.9106 6.5583 6.5583 6.9960 6.9960 7.0530 7.0530 9.4487 9.4487 9.4649 9.4649 9.8033 9.8033 10.3088 10.3088 k = 0.1724 0.1724 0.1724 ( 3854 PWs) bands (ev): -32.5201 -32.5201 -32.4486 -32.4486 -32.4486 -32.4486 -13.9134 -13.9134 -13.8891 -13.8891 -13.7795 -13.7795 -13.5596 -13.5596 -13.5200 -13.5200 -13.4591 -13.4591 -13.4415 -13.4415 -13.2453 -13.2453 -13.1750 -13.1750 -4.2647 -4.2647 -1.8256 -1.8256 5.7464 5.7464 5.8577 5.8577 5.8716 5.8716 6.5355 6.5355 6.9461 6.9461 7.0033 7.0033 9.5125 9.5125 9.5278 9.5278 9.8650 9.8650 10.3886 10.3886 k = 0.1810 0.1810 0.1810 ( 3857 PWs) bands (ev): -32.5185 -32.5185 -32.4493 -32.4493 -32.4493 -32.4493 -13.9139 -13.9139 -13.8877 -13.8877 -13.7799 -13.7799 -13.5626 -13.5626 -13.5170 -13.5170 -13.4634 -13.4634 -13.4419 -13.4419 -13.2470 -13.2470 -13.1748 -13.1748 -4.2369 -4.2369 -1.8137 -1.8137 5.6887 5.6887 5.8101 5.8101 5.8334 5.8334 6.5149 6.5149 6.8962 6.8962 6.9537 6.9537 9.5760 9.5760 9.5903 9.5903 9.9279 9.9279 10.4693 10.4693 k = 0.1897 0.1897 0.1897 ( 3851 PWs) bands (ev): -32.5168 -32.5168 -32.4501 -32.4501 -32.4501 -32.4501 -13.9144 -13.9144 -13.8864 -13.8864 -13.7808 -13.7808 -13.5656 -13.5656 -13.5137 -13.5137 -13.4691 -13.4691 -13.4410 -13.4410 -13.2481 -13.2481 -13.1746 -13.1746 -4.2084 -4.2084 -1.8019 -1.8019 5.6293 5.6293 5.7668 5.7668 5.7959 5.7959 6.4958 6.4958 6.8465 6.8465 6.9044 6.9044 9.6391 9.6391 9.6526 9.6526 9.9918 9.9918 10.5504 10.5504 k = 0.1983 0.1983 0.1983 ( 3845 PWs) bands (ev): -32.5152 -32.5152 -32.4509 -32.4509 -32.4509 -32.4509 -13.9151 -13.9151 -13.8854 -13.8854 -13.7821 -13.7821 -13.5688 -13.5688 -13.5100 -13.5100 -13.4754 -13.4754 -13.4394 -13.4394 -13.2486 -13.2486 -13.1743 -13.1743 -4.1793 -4.1793 -1.7901 -1.7901 5.5698 5.5698 5.7266 5.7266 5.7593 5.7593 6.4778 6.4778 6.7971 6.7971 6.8555 6.8555 9.7018 9.7018 9.7146 9.7146 10.0563 10.0563 10.6309 10.6445 k = 0.2069 0.2069 0.2069 ( 3842 PWs) bands (ev): -32.5135 -32.5135 -32.4517 -32.4517 -32.4517 -32.4517 -13.9160 -13.9160 -13.8846 -13.8846 -13.7839 -13.7839 -13.5721 -13.5721 -13.5062 -13.5062 -13.4821 -13.4821 -13.4374 -13.4374 -13.2484 -13.2484 -13.1739 -13.1739 -4.1496 -4.1496 -1.7786 -1.7786 5.5114 5.5114 5.6888 5.6888 5.7235 5.7235 6.4606 6.4606 6.7482 6.7482 6.8071 6.8071 9.7642 9.7642 9.7762 9.7762 10.1209 10.1209 10.7100 10.7101 k = 0.2155 0.2155 0.2155 ( 3845 PWs) bands (ev): -32.5117 -32.5117 -32.4525 -32.4525 -32.4525 -32.4525 -13.9171 -13.9171 -13.8841 -13.8841 -13.7864 -13.7864 -13.5756 -13.5756 -13.5021 -13.5021 -13.4888 -13.4888 -13.4351 -13.4351 -13.2476 -13.2476 -13.1735 -13.1735 -4.1195 -4.1195 -1.7673 -1.7673 5.4549 5.4549 5.6529 5.6529 5.6887 5.6887 6.4438 6.4438 6.6999 6.6999 6.7593 6.7593 9.8260 9.8260 9.8374 9.8374 10.1853 10.1853 10.7869 10.7886 k = 0.2241 0.2241 0.2241 ( 3845 PWs) bands (ev): -32.5100 -32.5100 -32.4534 -32.4534 -32.4534 -32.4534 -13.9183 -13.9183 -13.8839 -13.8839 -13.7894 -13.7894 -13.5792 -13.5792 -13.4977 -13.4977 -13.4953 -13.4953 -13.4327 -13.4327 -13.2462 -13.2462 -13.1729 -13.1729 -4.0890 -4.0890 -1.7563 -1.7563 5.4010 5.4010 5.6187 5.6187 5.6548 5.6548 6.4274 6.4274 6.6524 6.6524 6.7122 6.7122 9.8872 9.8872 9.8981 9.8981 10.2486 10.2486 10.8594 10.8619 k = 0.2328 0.2328 0.2328 ( 3845 PWs) bands (ev): -32.5082 -32.5082 -32.4542 -32.4542 -32.4542 -32.4542 -13.9196 -13.9196 -13.8838 -13.8838 -13.7931 -13.7931 -13.5830 -13.5830 -13.5015 -13.5015 -13.4931 -13.4931 -13.4301 -13.4301 -13.2444 -13.2444 -13.1723 -13.1723 -4.0583 -4.0583 -1.7457 -1.7457 5.3499 5.3499 5.5860 5.5860 5.6219 5.6219 6.4110 6.4110 6.6058 6.6058 6.6661 6.6661 9.9478 9.9478 9.9580 9.9580 10.3102 10.3102 10.9270 10.9273 k = 0.2414 0.2414 0.2414 ( 3848 PWs) bands (ev): -32.5064 -32.5064 -32.4551 -32.4551 -32.4551 -32.4551 -13.9212 -13.9212 -13.8841 -13.8841 -13.7975 -13.7975 -13.5869 -13.5869 -13.5072 -13.5072 -13.4884 -13.4884 -13.4275 -13.4275 -13.2420 -13.2420 -13.1715 -13.1715 -4.0273 -4.0273 -1.7354 -1.7354 5.3019 5.3019 5.5545 5.5545 5.5900 5.5900 6.3943 6.3943 6.5605 6.5605 6.6209 6.6209 10.0073 10.0073 10.0171 10.0171 10.3688 10.3688 10.9873 10.9875 k = 0.2500 0.2500 0.2500 ( 3836 PWs) bands (ev): -32.5046 -32.5046 -32.4559 -32.4559 -32.4559 -32.4559 -13.9229 -13.9229 -13.8845 -13.8845 -13.8024 -13.8024 -13.5909 -13.5909 -13.5123 -13.5123 -13.4833 -13.4833 -13.4248 -13.4248 -13.2391 -13.2391 -13.1707 -13.1707 -3.9963 -3.9963 -1.7257 -1.7257 5.2571 5.2571 5.5243 5.5243 5.5590 5.5590 6.3773 6.3773 6.5166 6.5166 6.5769 6.5769 10.0656 10.0656 10.0750 10.0750 10.4234 10.4234 11.0332 11.0338 k = 0.2586 0.2586 0.2586 ( 3860 PWs) bands (ev): -32.5029 -32.5029 -32.4568 -32.4568 -32.4568 -32.4568 -13.9248 -13.9248 -13.8853 -13.8853 -13.8081 -13.8081 -13.5952 -13.5952 -13.5169 -13.5169 -13.4782 -13.4782 -13.4221 -13.4221 -13.2359 -13.2359 -13.1698 -13.1698 -3.9652 -3.9652 -1.7165 -1.7165 5.2158 5.2158 5.4953 5.4953 5.5290 5.5290 6.3594 6.3594 6.4746 6.4746 6.5340 6.5340 10.1223 10.1223 10.1314 10.1314 10.4720 10.4720 11.0352 11.0352 k = 0.2672 0.2672 0.2672 ( 3857 PWs) bands (ev): -32.5011 -32.5011 -32.4576 -32.4576 -32.4576 -32.4576 -13.9269 -13.9269 -13.8863 -13.8863 -13.8143 -13.8143 -13.5996 -13.5996 -13.5207 -13.5207 -13.4729 -13.4729 -13.4194 -13.4194 -13.2322 -13.2322 -13.1688 -13.1688 -3.9342 -3.9342 -1.7077 -1.7077 5.1780 5.1780 5.4674 5.4674 5.5000 5.5000 6.3402 6.3402 6.4351 6.4351 6.4925 6.4925 10.1771 10.1771 10.1858 10.1858 10.5130 10.5130 11.0280 11.0280 k = 0.2759 0.2759 0.2759 ( 3857 PWs) bands (ev): -32.4993 -32.4993 -32.4585 -32.4585 -32.4585 -32.4585 -13.9291 -13.9291 -13.8874 -13.8874 -13.8210 -13.8210 -13.6042 -13.6042 -13.5237 -13.5237 -13.4675 -13.4675 -13.4167 -13.4167 -13.2283 -13.2283 -13.1676 -13.1676 -3.9034 -3.9034 -1.6996 -1.6996 5.1437 5.1437 5.4405 5.4405 5.4718 5.4718 6.3189 6.3189 6.3989 6.3989 6.4524 6.4524 10.2293 10.2293 10.2378 10.2378 10.5443 10.5443 11.0255 11.0255 k = 0.2845 0.2845 0.2845 ( 3854 PWs) bands (ev): -32.4976 -32.4976 -32.4593 -32.4593 -32.4593 -32.4593 -13.9315 -13.9315 -13.8887 -13.8887 -13.8281 -13.8281 -13.6088 -13.6088 -13.5261 -13.5261 -13.4620 -13.4620 -13.4141 -13.4141 -13.2240 -13.2240 -13.1664 -13.1664 -3.8728 -3.8728 -1.6920 -1.6920 5.1129 5.1129 5.4147 5.4147 5.4446 5.4446 6.2945 6.2945 6.3669 6.3669 6.4138 6.4138 10.2783 10.2783 10.2865 10.2865 10.5644 10.5644 11.0297 11.0297 k = 0.2931 0.2931 0.2931 ( 3854 PWs) bands (ev): -32.4958 -32.4958 -32.4601 -32.4601 -32.4601 -32.4601 -13.9342 -13.9342 -13.8902 -13.8902 -13.8356 -13.8356 -13.6136 -13.6136 -13.5279 -13.5279 -13.4565 -13.4565 -13.4114 -13.4114 -13.2195 -13.2195 -13.1651 -13.1651 -3.8426 -3.8426 -1.6851 -1.6851 5.0855 5.0855 5.3898 5.3898 5.4183 5.4183 6.2669 6.2669 6.3394 6.3394 6.3769 6.3769 10.3232 10.3232 10.3313 10.3313 10.5731 10.5731 11.0405 11.0405 k = 0.3017 0.3017 0.3017 ( 3866 PWs) bands (ev): -32.4941 -32.4941 -32.4609 -32.4609 -32.4609 -32.4609 -13.9372 -13.9372 -13.8919 -13.8919 -13.8432 -13.8432 -13.6184 -13.6184 -13.5291 -13.5291 -13.4510 -13.4510 -13.4089 -13.4089 -13.2148 -13.2148 -13.1637 -13.1637 -3.8128 -3.8128 -1.6788 -1.6788 5.0617 5.0617 5.3658 5.3658 5.3929 5.3929 6.2368 6.2368 6.3157 6.3157 6.3416 6.3416 10.3632 10.3632 10.3712 10.3712 10.5713 10.5713 11.0567 11.0567 k = 0.3103 0.3103 0.3103 ( 3866 PWs) bands (ev): -32.4924 -32.4924 -32.4617 -32.4617 -32.4617 -32.4617 -13.9404 -13.9404 -13.8937 -13.8937 -13.8509 -13.8509 -13.6232 -13.6232 -13.5298 -13.5298 -13.4456 -13.4456 -13.4064 -13.4064 -13.2099 -13.2099 -13.1622 -13.1622 -3.7835 -3.7835 -1.6730 -1.6730 5.0412 5.0412 5.3428 5.3428 5.3683 5.3683 6.2057 6.2057 6.2944 6.2944 6.3080 6.3080 10.3970 10.3970 10.4050 10.4050 10.5611 10.5611 11.0760 11.0760 k = 0.3190 0.3190 0.3190 ( 3878 PWs) bands (ev): -32.4908 -32.4908 -32.4625 -32.4625 -32.4625 -32.4625 -13.9439 -13.9439 -13.8956 -13.8956 -13.8585 -13.8585 -13.6279 -13.6279 -13.5301 -13.5301 -13.4402 -13.4402 -13.4040 -13.4040 -13.2049 -13.2049 -13.1606 -13.1606 -3.7547 -3.7547 -1.6679 -1.6679 5.0239 5.0239 5.3206 5.3206 5.3445 5.3445 6.1746 6.1746 6.2745 6.2745 6.2762 6.2762 10.4237 10.4237 10.4316 10.4316 10.5444 10.5444 11.0959 11.0959 k = 0.3276 0.3276 0.3276 ( 3878 PWs) bands (ev): -32.4892 -32.4892 -32.4633 -32.4633 -32.4633 -32.4633 -13.9478 -13.9478 -13.8976 -13.8976 -13.8659 -13.8659 -13.6325 -13.6325 -13.5301 -13.5301 -13.4349 -13.4349 -13.4017 -13.4017 -13.1998 -13.1998 -13.1590 -13.1590 -3.7267 -3.7267 -1.6634 -1.6634 5.0099 5.0099 5.2993 5.2993 5.3216 5.3216 6.1443 6.1443 6.2462 6.2462 6.2554 6.2554 10.4422 10.4422 10.4501 10.4501 10.5232 10.5232 11.1147 11.1147 k = 0.3362 0.3362 0.3362 ( 3878 PWs) bands (ev): -32.4876 -32.4876 -32.4640 -32.4640 -32.4640 -32.4640 -13.9520 -13.9520 -13.8996 -13.8996 -13.8730 -13.8730 -13.6371 -13.6371 -13.5297 -13.5297 -13.4297 -13.4297 -13.3994 -13.3994 -13.1946 -13.1946 -13.1572 -13.1572 -3.6994 -3.6994 -1.6594 -1.6594 4.9989 4.9989 5.2787 5.2787 5.2995 5.2995 6.1151 6.1151 6.2181 6.2181 6.2367 6.2367 10.4520 10.4520 10.4599 10.4599 10.4988 10.4988 11.1309 11.1309 k = 0.3448 0.3448 0.3448 ( 3878 PWs) bands (ev): -32.4861 -32.4861 -32.4647 -32.4647 -32.4647 -32.4647 -13.9565 -13.9565 -13.9017 -13.9017 -13.8797 -13.8797 -13.6414 -13.6414 -13.5291 -13.5291 -13.4246 -13.4246 -13.3972 -13.3972 -13.1894 -13.1894 -13.1555 -13.1555 -3.6730 -3.6730 -1.6560 -1.6560 4.9908 4.9908 5.2590 5.2590 5.2783 5.2783 6.0872 6.0872 6.1918 6.1918 6.2181 6.2181 10.4531 10.4531 10.4609 10.4609 10.4724 10.4724 11.1437 11.1437 k = 0.3534 0.3534 0.3534 ( 3866 PWs) bands (ev): -32.4846 -32.4846 -32.4654 -32.4654 -32.4654 -32.4654 -13.9614 -13.9614 -13.9038 -13.9038 -13.8859 -13.8859 -13.6456 -13.6456 -13.5283 -13.5283 -13.4197 -13.4197 -13.3951 -13.3951 -13.1842 -13.1842 -13.1536 -13.1536 -3.6475 -3.6475 -1.6532 -1.6532 4.9855 4.9855 5.2401 5.2401 5.2579 5.2579 6.0609 6.0609 6.1674 6.1674 6.1997 6.1997 10.4441 10.4441 10.4468 10.4468 10.4538 10.4538 11.1529 11.1529 k = 0.3621 0.3621 0.3621 ( 3848 PWs) bands (ev): -32.4832 -32.4832 -32.4660 -32.4660 -32.4660 -32.4660 -13.9666 -13.9666 -13.9058 -13.9058 -13.8915 -13.8915 -13.6496 -13.6496 -13.5273 -13.5273 -13.4150 -13.4150 -13.3930 -13.3930 -13.1791 -13.1791 -13.1517 -13.1517 -3.6229 -3.6229 -1.6508 -1.6508 4.9827 4.9827 5.2219 5.2219 5.2383 5.2383 6.0362 6.0362 6.1449 6.1449 6.1813 6.1813 10.4164 10.4164 10.4324 10.4324 10.4398 10.4398 11.1584 11.1584 k = 0.3707 0.3707 0.3707 ( 3848 PWs) bands (ev): -32.4819 -32.4819 -32.4667 -32.4667 -32.4667 -32.4667 -13.9721 -13.9721 -13.9079 -13.9079 -13.8966 -13.8966 -13.6534 -13.6534 -13.5263 -13.5263 -13.4105 -13.4105 -13.3911 -13.3911 -13.1741 -13.1741 -13.1499 -13.1499 -3.5995 -3.5995 -1.6488 -1.6488 4.9822 4.9822 5.2046 5.2046 5.2197 5.2197 6.0130 6.0130 6.1241 6.1241 6.1631 6.1631 10.3881 10.3881 10.4131 10.4131 10.4203 10.4203 11.1606 11.1606 k = 0.3793 0.3793 0.3793 ( 3851 PWs) bands (ev): -32.4806 -32.4806 -32.4673 -32.4673 -32.4673 -32.4673 -13.9777 -13.9777 -13.9100 -13.9100 -13.9011 -13.9011 -13.6570 -13.6570 -13.5253 -13.5253 -13.4063 -13.4063 -13.3894 -13.3894 -13.1693 -13.1693 -13.1480 -13.1480 -3.5772 -3.5772 -1.6473 -1.6473 4.9840 4.9840 5.1882 5.1882 5.2019 5.2019 5.9914 5.9914 6.1051 6.1051 6.1451 6.1451 10.3599 10.3599 10.3898 10.3898 10.3968 10.3968 11.1598 11.1598 k = 0.3879 0.3879 0.3879 ( 3852 PWs) bands (ev): -32.4794 -32.4794 -32.4678 -32.4678 -32.4678 -32.4678 -13.9835 -13.9835 -13.9120 -13.9120 -13.9051 -13.9051 -13.6604 -13.6604 -13.5242 -13.5242 -13.4023 -13.4023 -13.3877 -13.3877 -13.1647 -13.1647 -13.1462 -13.1462 -3.5561 -3.5561 -1.6462 -1.6462 4.9875 4.9875 5.1726 5.1726 5.1852 5.1852 5.9713 5.9713 6.0879 6.0879 6.1274 6.1274 10.3324 10.3324 10.3640 10.3640 10.3707 10.3707 11.1566 11.1566 k = 0.3966 0.3966 0.3966 ( 3855 PWs) bands (ev): -32.4783 -32.4783 -32.4684 -32.4684 -32.4684 -32.4684 -13.9892 -13.9892 -13.9139 -13.9139 -13.9087 -13.9087 -13.6636 -13.6636 -13.5232 -13.5232 -13.3986 -13.3986 -13.3861 -13.3861 -13.1602 -13.1602 -13.1444 -13.1444 -3.5362 -3.5362 -1.6453 -1.6453 4.9927 4.9927 5.1579 5.1579 5.1694 5.1694 5.9526 5.9526 6.0723 6.0723 6.1100 6.1100 10.3058 10.3058 10.3367 10.3367 10.3432 10.3432 11.1517 11.1517 k = 0.4052 0.4052 0.4052 ( 3855 PWs) bands (ev): -32.4772 -32.4772 -32.4688 -32.4688 -32.4688 -32.4688 -13.9949 -13.9949 -13.9157 -13.9157 -13.9118 -13.9118 -13.6665 -13.6665 -13.5221 -13.5221 -13.3952 -13.3952 -13.3847 -13.3847 -13.1560 -13.1560 -13.1427 -13.1427 -3.5177 -3.5177 -1.6448 -1.6448 4.9993 4.9993 5.1442 5.1442 5.1546 5.1546 5.9354 5.9354 6.0583 6.0583 6.0933 6.0933 10.2804 10.2804 10.3091 10.3091 10.3154 10.3154 11.1454 11.1454 k = 0.4138 0.4138 0.4138 ( 3861 PWs) bands (ev): -32.4763 -32.4763 -32.4693 -32.4693 -32.4693 -32.4693 -14.0003 -14.0003 -13.9174 -13.9174 -13.9146 -13.9146 -13.6692 -13.6692 -13.5211 -13.5211 -13.3921 -13.3921 -13.3833 -13.3833 -13.1521 -13.1521 -13.1410 -13.1410 -3.5007 -3.5007 -1.6444 -1.6444 5.0069 5.0069 5.1314 5.1314 5.1409 5.1409 5.9196 5.9196 6.0458 6.0458 6.0773 6.0773 10.2563 10.2563 10.2819 10.2819 10.2879 10.2879 11.1384 11.1384 k = 0.4224 0.4224 0.4224 ( 3861 PWs) bands (ev): -32.4754 -32.4754 -32.4697 -32.4697 -32.4697 -32.4697 -14.0054 -14.0054 -13.9190 -13.9190 -13.9170 -13.9170 -13.6717 -13.6717 -13.5201 -13.5201 -13.3892 -13.3892 -13.3821 -13.3821 -13.1485 -13.1485 -13.1395 -13.1395 -3.4850 -3.4850 -1.6443 -1.6443 5.0153 5.0153 5.1197 5.1197 5.1284 5.1284 5.9051 5.9051 6.0349 6.0349 6.0622 6.0622 10.2339 10.2339 10.2558 10.2558 10.2615 10.2615 11.1310 11.1310 k = 0.4310 0.4310 0.4310 ( 3873 PWs) bands (ev): -32.4746 -32.4746 -32.4701 -32.4701 -32.4701 -32.4701 -14.0102 -14.0102 -13.9205 -13.9205 -13.9191 -13.9191 -13.6739 -13.6739 -13.5193 -13.5193 -13.3866 -13.3866 -13.3811 -13.3811 -13.1451 -13.1451 -13.1380 -13.1380 -3.4709 -3.4709 -1.6443 -1.6443 5.0241 5.0241 5.1090 5.1090 5.1170 5.1170 5.8918 5.8918 6.0252 6.0252 6.0481 6.0481 10.2131 10.2131 10.2313 10.2313 10.2368 10.2368 11.1236 11.1236 k = 0.4397 0.4397 0.4397 ( 3870 PWs) bands (ev): -32.4739 -32.4739 -32.4704 -32.4704 -32.4704 -32.4704 -14.0146 -14.0146 -13.9218 -13.9218 -13.9208 -13.9208 -13.6759 -13.6759 -13.5184 -13.5184 -13.3843 -13.3843 -13.3801 -13.3801 -13.1421 -13.1421 -13.1367 -13.1367 -3.4583 -3.4583 -1.6444 -1.6444 5.0329 5.0329 5.0995 5.0995 5.1069 5.1069 5.8799 5.8799 6.0170 6.0170 6.0354 6.0354 10.1944 10.1944 10.2090 10.2090 10.2141 10.2141 11.1165 11.1165 k = 0.4483 0.4483 0.4483 ( 3876 PWs) bands (ev): -32.4733 -32.4733 -32.4707 -32.4707 -32.4707 -32.4707 -14.0184 -14.0184 -13.9230 -13.9230 -13.9223 -13.9223 -13.6776 -13.6776 -13.5177 -13.5177 -13.3824 -13.3824 -13.3792 -13.3792 -13.1395 -13.1395 -13.1355 -13.1355 -3.4473 -3.4473 -1.6446 -1.6446 5.0415 5.0415 5.0912 5.0912 5.0980 5.0980 5.8692 5.8692 6.0099 6.0099 6.0240 6.0240 10.1776 10.1776 10.1893 10.1893 10.1938 10.1938 11.1099 11.1099 k = 0.4569 0.4569 0.4569 ( 3876 PWs) bands (ev): -32.4727 -32.4727 -32.4710 -32.4710 -32.4710 -32.4710 -14.0217 -14.0217 -13.9240 -13.9240 -13.9235 -13.9235 -13.6790 -13.6790 -13.5171 -13.5171 -13.3807 -13.3807 -13.3785 -13.3785 -13.1373 -13.1373 -13.1345 -13.1345 -3.4379 -3.4379 -1.6448 -1.6448 5.0495 5.0495 5.0842 5.0842 5.0904 5.0904 5.8599 5.8599 6.0041 6.0041 6.0142 6.0142 10.1629 10.1629 10.1724 10.1724 10.1763 10.1763 11.1040 11.1040 k = 0.4655 0.4655 0.4655 ( 3876 PWs) bands (ev): -32.4723 -32.4723 -32.4712 -32.4712 -32.4712 -32.4712 -14.0245 -14.0245 -13.9248 -13.9248 -13.9245 -13.9245 -13.6802 -13.6802 -13.5166 -13.5166 -13.3793 -13.3793 -13.3779 -13.3779 -13.1354 -13.1354 -13.1336 -13.1336 -3.4302 -3.4302 -1.6450 -1.6450 5.0564 5.0564 5.0785 5.0785 5.0841 5.0841 5.8521 5.8521 5.9994 5.9994 6.0060 6.0060 10.1504 10.1504 10.1586 10.1586 10.1616 10.1616 11.0990 11.0990 k = 0.4741 0.4741 0.4741 ( 3876 PWs) bands (ev): -32.4720 -32.4720 -32.4713 -32.4713 -32.4713 -32.4713 -14.0267 -14.0267 -13.9254 -13.9254 -13.9253 -13.9253 -13.6811 -13.6811 -13.5162 -13.5162 -13.3783 -13.3783 -13.3775 -13.3775 -13.1339 -13.1339 -13.1329 -13.1329 -3.4242 -3.4242 -1.6452 -1.6452 5.0618 5.0618 5.0743 5.0743 5.0792 5.0792 5.8458 5.8458 5.9958 5.9958 5.9996 5.9996 10.1402 10.1402 10.1481 10.1481 10.1500 10.1500 11.0951 11.0951 k = 0.4828 0.4828 0.4828 ( 3876 PWs) bands (ev): -32.4717 -32.4717 -32.4714 -32.4714 -32.4714 -32.4714 -14.0283 -14.0283 -13.9259 -13.9259 -13.9258 -13.9258 -13.6817 -13.6817 -13.5159 -13.5159 -13.3775 -13.3775 -13.3771 -13.3771 -13.1329 -13.1329 -13.1325 -13.1325 -3.4199 -3.4199 -1.6454 -1.6454 5.0650 5.0650 5.0722 5.0722 5.0757 5.0757 5.8412 5.8412 5.9933 5.9933 5.9950 5.9950 10.1327 10.1327 10.1407 10.1407 10.1417 10.1417 11.0922 11.0922 k = 0.4914 0.4914 0.4914 ( 3870 PWs) bands (ev): -32.4716 -32.4716 -32.4715 -32.4715 -32.4715 -32.4715 -14.0292 -14.0292 -13.9261 -13.9261 -13.9261 -13.9261 -13.6821 -13.6821 -13.5157 -13.5157 -13.3770 -13.3770 -13.3769 -13.3769 -13.1323 -13.1323 -13.1321 -13.1321 -3.4173 -3.4173 -1.6455 -1.6455 5.0655 5.0655 5.0725 5.0725 5.0736 5.0736 5.8384 5.8384 5.9918 5.9918 5.9922 5.9922 10.1280 10.1280 10.1364 10.1364 10.1366 10.1366 11.0904 11.0904 k = 0.5000 0.5000 0.5000 ( 3840 PWs) bands (ev): -32.4715 -32.4715 -32.4715 -32.4715 -32.4715 -32.4715 -14.0294 -14.0294 -13.9262 -13.9262 -13.9262 -13.9262 -13.6821 -13.6821 -13.5156 -13.5156 -13.3768 -13.3768 -13.3768 -13.3768 -13.1320 -13.1320 -13.1320 -13.1320 -3.4164 -3.4164 -1.6455 -1.6455 5.0654 5.0654 5.0729 5.0729 5.0729 5.0729 5.8374 5.8374 5.9913 5.9913 5.9913 5.9913 10.1265 10.1265 10.1350 10.1350 10.1350 10.1350 11.0898 11.0898 k = 0.5000 0.5000 0.5000 ( 3840 PWs) bands (ev): -32.4715 -32.4715 -32.4715 -32.4715 -32.4715 -32.4715 -14.0294 -14.0294 -13.9262 -13.9262 -13.9262 -13.9262 -13.6821 -13.6821 -13.5156 -13.5156 -13.3768 -13.3768 -13.3768 -13.3768 -13.1320 -13.1320 -13.1320 -13.1320 -3.4164 -3.4164 -1.6455 -1.6455 5.0654 5.0654 5.0729 5.0729 5.0729 5.0729 5.8374 5.8374 5.9913 5.9913 5.9913 5.9913 10.1265 10.1265 10.1350 10.1350 10.1350 10.1350 11.0898 11.0898 k = 0.4894 0.5000 0.4894 ( 3868 PWs) bands (ev): -32.4716 -32.4716 -32.4715 -32.4715 -32.4715 -32.4715 -14.0292 -14.0292 -13.9262 -13.9262 -13.9261 -13.9261 -13.6821 -13.6821 -13.5157 -13.5157 -13.3770 -13.3770 -13.3769 -13.3769 -13.1323 -13.1323 -13.1321 -13.1321 -3.4173 -3.4173 -1.6455 -1.6455 5.0655 5.0655 5.0722 5.0722 5.0740 5.0740 5.8384 5.8384 5.9918 5.9918 5.9922 5.9922 10.1281 10.1281 10.1363 10.1363 10.1367 10.1367 11.0904 11.0904 k = 0.4787 0.5000 0.4787 ( 3874 PWs) bands (ev): -32.4717 -32.4717 -32.4715 -32.4715 -32.4714 -32.4714 -14.0282 -14.0282 -13.9260 -13.9260 -13.9257 -13.9257 -13.6817 -13.6817 -13.5159 -13.5159 -13.3775 -13.3775 -13.3771 -13.3771 -13.1330 -13.1330 -13.1323 -13.1323 -3.4199 -3.4199 -1.6454 -1.6454 5.0643 5.0643 5.0709 5.0709 5.0779 5.0779 5.8412 5.8412 5.9934 5.9934 5.9949 5.9949 10.1327 10.1327 10.1406 10.1406 10.1421 10.1421 11.0922 11.0922 k = 0.4681 0.5000 0.4681 ( 3874 PWs) bands (ev): -32.4719 -32.4719 -32.4715 -32.4715 -32.4712 -32.4712 -14.0267 -14.0267 -13.9256 -13.9256 -13.9251 -13.9251 -13.6810 -13.6810 -13.5162 -13.5162 -13.3783 -13.3783 -13.3774 -13.3774 -13.1342 -13.1342 -13.1327 -13.1327 -3.4243 -3.4243 -1.6452 -1.6452 5.0600 5.0600 5.0701 5.0701 5.0854 5.0854 5.8459 5.8459 5.9961 5.9961 5.9995 5.9995 10.1400 10.1400 10.1478 10.1478 10.1511 10.1511 11.0952 11.0952 k = 0.4574 0.5000 0.4574 ( 3874 PWs) bands (ev): -32.4721 -32.4721 -32.4715 -32.4715 -32.4710 -32.4710 -14.0244 -14.0244 -13.9251 -13.9251 -13.9242 -13.9242 -13.6801 -13.6801 -13.5166 -13.5166 -13.3794 -13.3794 -13.3779 -13.3779 -13.1359 -13.1359 -13.1332 -13.1332 -3.4304 -3.4304 -1.6450 -1.6450 5.0531 5.0531 5.0697 5.0697 5.0963 5.0963 5.8523 5.8523 5.9999 5.9999 6.0058 6.0058 10.1496 10.1496 10.1584 10.1584 10.1638 10.1638 11.0992 11.0992 k = 0.4468 0.5000 0.4468 ( 3874 PWs) bands (ev): -32.4725 -32.4725 -32.4715 -32.4715 -32.4707 -32.4707 -14.0216 -14.0216 -13.9244 -13.9244 -13.9230 -13.9230 -13.6789 -13.6789 -13.5172 -13.5172 -13.3808 -13.3808 -13.3784 -13.3784 -13.1381 -13.1381 -13.1338 -13.1338 -3.4382 -3.4382 -1.6448 -1.6448 5.0443 5.0443 5.0693 5.0693 5.1104 5.1104 5.8603 5.8603 6.0048 6.0048 6.0139 6.0139 10.1612 10.1612 10.1723 10.1723 10.1798 10.1798 11.1043 11.1043 k = 0.4362 0.5000 0.4362 ( 3874 PWs) bands (ev): -32.4729 -32.4729 -32.4716 -32.4716 -32.4703 -32.4703 -14.0182 -14.0182 -13.9236 -13.9236 -13.9216 -13.9216 -13.6775 -13.6775 -13.5178 -13.5178 -13.3826 -13.3826 -13.3791 -13.3791 -13.1407 -13.1407 -13.1346 -13.1346 -3.4476 -3.4476 -1.6445 -1.6445 5.0341 5.0341 5.0688 5.0688 5.1278 5.1278 5.8697 5.8697 6.0109 6.0109 6.0236 6.0236 10.1747 10.1747 10.1895 10.1895 10.1990 10.1990 11.1103 11.1103 k = 0.4255 0.5000 0.4255 ( 3866 PWs) bands (ev): -32.4733 -32.4733 -32.4716 -32.4716 -32.4698 -32.4698 -14.0142 -14.0142 -13.9227 -13.9227 -13.9198 -13.9198 -13.6757 -13.6757 -13.5185 -13.5185 -13.3846 -13.3846 -13.3799 -13.3799 -13.1437 -13.1437 -13.1355 -13.1355 -3.4586 -3.4586 -1.6443 -1.6443 5.0230 5.0230 5.0680 5.0680 5.1481 5.1481 5.8805 5.8805 6.0183 6.0183 6.0349 6.0349 10.1902 10.1902 10.2099 10.2099 10.2209 10.2209 11.1172 11.1172 k = 0.4149 0.5000 0.4149 ( 3864 PWs) bands (ev): -32.4739 -32.4739 -32.4716 -32.4716 -32.4693 -32.4693 -14.0098 -14.0098 -13.9216 -13.9216 -13.9179 -13.9179 -13.6737 -13.6737 -13.5193 -13.5193 -13.3869 -13.3869 -13.3809 -13.3809 -13.1470 -13.1470 -13.1365 -13.1365 -3.4711 -3.4711 -1.6441 -1.6441 5.0113 5.0113 5.0669 5.0669 5.1715 5.1715 5.8923 5.8923 6.0269 6.0269 6.0476 6.0476 10.2075 10.2075 10.2334 10.2334 10.2452 10.2452 11.1247 11.1247 k = 0.4043 0.5000 0.4043 ( 3856 PWs) bands (ev): -32.4745 -32.4745 -32.4716 -32.4716 -32.4688 -32.4688 -14.0048 -14.0048 -13.9204 -13.9204 -13.9156 -13.9156 -13.6715 -13.6715 -13.5203 -13.5203 -13.3895 -13.3895 -13.3819 -13.3819 -13.1508 -13.1508 -13.1377 -13.1377 -3.4851 -3.4851 -1.6439 -1.6439 4.9994 4.9994 5.0653 5.0653 5.1977 5.1977 5.9052 5.9052 6.0368 6.0368 6.0617 6.0617 10.2265 10.2265 10.2599 10.2599 10.2715 10.2715 11.1326 11.1326 k = 0.3936 0.5000 0.3936 ( 3856 PWs) bands (ev): -32.4751 -32.4751 -32.4716 -32.4716 -32.4681 -32.4681 -13.9995 -13.9995 -13.9190 -13.9190 -13.9131 -13.9131 -13.6690 -13.6690 -13.5213 -13.5213 -13.3924 -13.3924 -13.3831 -13.3831 -13.1549 -13.1549 -13.1390 -13.1390 -3.5006 -3.5006 -1.6439 -1.6439 4.9877 4.9877 5.0634 5.0634 5.2268 5.2268 5.9190 5.9190 6.0481 6.0481 6.0770 6.0770 10.2469 10.2469 10.2893 10.2893 10.2994 10.2994 11.1407 11.1407 k = 0.3830 0.5000 0.3830 ( 3862 PWs) bands (ev): -32.4759 -32.4759 -32.4716 -32.4716 -32.4675 -32.4675 -13.9938 -13.9938 -13.9176 -13.9176 -13.9103 -13.9103 -13.6662 -13.6662 -13.5224 -13.5224 -13.3956 -13.3956 -13.3844 -13.3844 -13.1593 -13.1593 -13.1404 -13.1404 -3.5173 -3.5173 -1.6440 -1.6440 4.9765 4.9765 5.0609 5.0609 5.2586 5.2586 5.9336 5.9336 6.0608 6.0608 6.0934 6.0934 10.2686 10.2686 10.3212 10.3212 10.3287 10.3287 11.1488 11.1488 k = 0.3723 0.5000 0.3723 ( 3850 PWs) bands (ev): -32.4766 -32.4766 -32.4716 -32.4716 -32.4667 -32.4667 -13.9878 -13.9878 -13.9159 -13.9159 -13.9071 -13.9071 -13.6632 -13.6632 -13.5235 -13.5235 -13.3989 -13.3989 -13.3858 -13.3858 -13.1639 -13.1639 -13.1420 -13.1420 -3.5353 -3.5353 -1.6442 -1.6442 4.9661 4.9661 5.0579 5.0579 5.2930 5.2930 5.9488 5.9488 6.0751 6.0751 6.1108 6.1108 10.2912 10.2912 10.3545 10.3545 10.3602 10.3602 11.1565 11.1565 k = 0.3617 0.5000 0.3617 ( 3850 PWs) bands (ev): -32.4775 -32.4775 -32.4716 -32.4716 -32.4659 -32.4659 -13.9816 -13.9816 -13.9142 -13.9142 -13.9037 -13.9037 -13.6600 -13.6600 -13.5247 -13.5247 -13.4026 -13.4026 -13.3873 -13.3873 -13.1688 -13.1688 -13.1437 -13.1437 -3.5544 -3.5544 -1.6447 -1.6447 4.9570 4.9570 5.0543 5.0543 5.3299 5.3299 5.9646 5.9646 6.0908 6.0908 6.1291 6.1291 10.3143 10.3143 10.3859 10.3859 10.3965 10.3965 11.1635 11.1635 k = 0.3511 0.5000 0.3511 ( 3854 PWs) bands (ev): -32.4783 -32.4783 -32.4717 -32.4717 -32.4651 -32.4651 -13.9752 -13.9752 -13.9124 -13.9124 -13.9000 -13.9000 -13.6565 -13.6565 -13.5259 -13.5259 -13.4065 -13.4065 -13.3890 -13.3890 -13.1739 -13.1739 -13.1454 -13.1454 -3.5745 -3.5745 -1.6453 -1.6453 4.9493 4.9493 5.0500 5.0500 5.3691 5.3691 5.9808 5.9808 6.1080 6.1080 6.1481 6.1481 10.3376 10.3376 10.4159 10.4159 10.4368 10.4368 11.1693 11.1693 k = 0.3404 0.5000 0.3404 ( 3866 PWs) bands (ev): -32.4793 -32.4793 -32.4717 -32.4717 -32.4642 -32.4642 -13.9688 -13.9688 -13.9106 -13.9106 -13.8960 -13.8960 -13.6528 -13.6528 -13.5272 -13.5272 -13.4105 -13.4105 -13.3908 -13.3908 -13.1792 -13.1792 -13.1474 -13.1474 -3.5956 -3.5956 -1.6462 -1.6462 4.9432 4.9432 5.0452 5.0452 5.4106 5.4106 5.9974 5.9974 6.1267 6.1267 6.1678 6.1678 10.3606 10.3606 10.4453 10.4453 10.4799 10.4799 11.1522 11.1522 k = 0.3298 0.5000 0.3298 ( 3862 PWs) bands (ev): -32.4803 -32.4803 -32.4717 -32.4717 -32.4633 -32.4633 -13.9624 -13.9624 -13.9085 -13.9085 -13.8916 -13.8916 -13.6489 -13.6489 -13.5284 -13.5284 -13.4147 -13.4147 -13.3927 -13.3927 -13.1845 -13.1845 -13.1494 -13.1494 -3.6176 -3.6176 -1.6474 -1.6474 4.9392 4.9392 5.0398 5.0398 5.4543 5.4543 6.0144 6.0144 6.1468 6.1468 6.1880 6.1880 10.3828 10.3828 10.4738 10.4738 10.5256 10.5256 11.1064 11.1064 k = 0.3191 0.5000 0.3191 ( 3860 PWs) bands (ev): -32.4812 -32.4812 -32.4717 -32.4717 -32.4624 -32.4624 -13.9561 -13.9561 -13.9064 -13.9064 -13.8869 -13.8869 -13.6448 -13.6448 -13.5296 -13.5296 -13.4190 -13.4190 -13.3947 -13.3947 -13.1900 -13.1900 -13.1515 -13.1515 -3.6403 -3.6403 -1.6489 -1.6489 4.9373 4.9373 5.0338 5.0338 5.4998 5.4998 6.0317 6.0317 6.1681 6.1681 6.2086 6.2086 10.4036 10.4036 10.5013 10.5013 10.5738 10.5738 11.0568 11.0568 k = 0.3085 0.5000 0.3085 ( 3864 PWs) bands (ev): -32.4823 -32.4823 -32.4717 -32.4717 -32.4614 -32.4614 -13.9499 -13.9499 -13.9042 -13.9042 -13.8819 -13.8819 -13.6405 -13.6405 -13.5307 -13.5307 -13.4234 -13.4234 -13.3968 -13.3968 -13.1955 -13.1955 -13.1537 -13.1537 -3.6636 -3.6636 -1.6507 -1.6507 4.9376 4.9376 5.0273 5.0273 5.5472 5.5472 6.0494 6.0494 6.1906 6.1906 6.2297 6.2297 10.4225 10.4225 10.5275 10.5275 10.6243 10.6243 11.0037 11.0037 k = 0.2979 0.5000 0.2979 ( 3860 PWs) bands (ev): -32.4833 -32.4833 -32.4718 -32.4718 -32.4604 -32.4604 -13.9440 -13.9440 -13.9020 -13.9020 -13.8765 -13.8765 -13.6360 -13.6360 -13.5317 -13.5317 -13.4278 -13.4278 -13.3990 -13.3990 -13.2011 -13.2011 -13.1560 -13.1560 -3.6875 -3.6875 -1.6528 -1.6528 4.9402 4.9402 5.0205 5.0205 5.5961 5.5961 6.0675 6.0675 6.2140 6.2140 6.2510 6.2510 10.4387 10.4387 10.5523 10.5523 10.6769 10.6769 10.9475 10.9475 k = 0.2872 0.5000 0.2872 ( 3860 PWs) bands (ev): -32.4844 -32.4844 -32.4718 -32.4718 -32.4594 -32.4594 -13.9384 -13.9384 -13.8996 -13.8996 -13.8708 -13.8708 -13.6315 -13.6315 -13.5327 -13.5327 -13.4323 -13.4323 -13.4013 -13.4013 -13.2067 -13.2067 -13.1584 -13.1584 -3.7118 -3.7118 -1.6553 -1.6553 4.9451 4.9451 5.0136 5.0136 5.6466 5.6466 6.0859 6.0859 6.2381 6.2381 6.2725 6.2725 10.4519 10.4519 10.5753 10.5753 10.7317 10.7317 10.8883 10.8883 k = 0.2766 0.5000 0.2766 ( 3860 PWs) bands (ev): -32.4855 -32.4855 -32.4718 -32.4718 -32.4584 -32.4584 -13.9331 -13.9331 -13.8972 -13.8972 -13.8649 -13.8649 -13.6268 -13.6268 -13.5334 -13.5334 -13.4367 -13.4367 -13.4037 -13.4037 -13.2123 -13.2123 -13.1609 -13.1609 -3.7364 -3.7364 -1.6581 -1.6581 4.9518 4.9518 5.0071 5.0071 5.6982 5.6982 6.1047 6.1047 6.2627 6.2627 6.2943 6.2943 10.4616 10.4616 10.5966 10.5966 10.7884 10.7884 10.8267 10.8267 k = 0.2660 0.5000 0.2660 ( 3852 PWs) bands (ev): -32.4866 -32.4866 -32.4718 -32.4718 -32.4573 -32.4573 -13.9281 -13.9281 -13.8947 -13.8947 -13.8589 -13.8589 -13.6221 -13.6221 -13.5340 -13.5340 -13.4409 -13.4409 -13.4062 -13.4062 -13.2179 -13.2179 -13.1634 -13.1634 -3.7612 -3.7612 -1.6612 -1.6612 4.9591 4.9591 5.0025 5.0025 5.7509 5.7509 6.1239 6.1239 6.2875 6.2875 6.3162 6.3162 10.4673 10.4673 10.6156 10.6156 10.7631 10.7631 10.8471 10.8471 k = 0.2553 0.5000 0.2553 ( 3848 PWs) bands (ev): -32.4877 -32.4877 -32.4719 -32.4719 -32.4563 -32.4563 -13.9235 -13.9235 -13.8921 -13.8921 -13.8528 -13.8528 -13.6174 -13.6174 -13.5343 -13.5343 -13.4449 -13.4449 -13.4089 -13.4089 -13.2234 -13.2234 -13.1660 -13.1660 -3.7860 -3.7860 -1.6647 -1.6647 4.9636 4.9636 5.0031 5.0031 5.8045 5.8045 6.1434 6.1434 6.3123 6.3123 6.3384 6.3384 10.4690 10.4690 10.6320 10.6320 10.6978 10.6978 10.9074 10.9074 k = 0.2447 0.5000 0.2447 ( 3848 PWs) bands (ev): -32.4889 -32.4889 -32.4719 -32.4719 -32.4552 -32.4552 -13.9192 -13.9192 -13.8894 -13.8894 -13.8467 -13.8467 -13.6127 -13.6127 -13.5343 -13.5343 -13.4487 -13.4487 -13.4116 -13.4116 -13.2289 -13.2289 -13.1686 -13.1686 -3.8109 -3.8109 -1.6685 -1.6685 4.9618 4.9618 5.0125 5.0125 5.8588 5.8588 6.1633 6.1633 6.3366 6.3366 6.3609 6.3609 10.4664 10.4664 10.6298 10.6298 10.6467 10.6467 10.9693 10.9693 k = 0.2340 0.5000 0.2340 ( 3852 PWs) bands (ev): -32.4900 -32.4900 -32.4719 -32.4719 -32.4542 -32.4542 -13.9154 -13.9154 -13.8867 -13.8867 -13.8407 -13.8407 -13.6082 -13.6082 -13.5341 -13.5341 -13.4521 -13.4521 -13.4144 -13.4144 -13.2343 -13.2343 -13.1712 -13.1712 -3.8356 -3.8356 -1.6726 -1.6726 4.9555 4.9555 5.0291 5.0291 5.9134 5.9134 6.1835 6.1835 6.3602 6.3602 6.3838 6.3838 10.4598 10.4598 10.5631 10.5631 10.6554 10.6554 11.0327 11.0327 k = 0.2234 0.5000 0.2234 ( 3852 PWs) bands (ev): -32.4911 -32.4911 -32.4719 -32.4719 -32.4531 -32.4531 -13.9120 -13.9120 -13.8838 -13.8838 -13.8349 -13.8349 -13.6039 -13.6039 -13.5336 -13.5336 -13.4551 -13.4551 -13.4173 -13.4173 -13.2397 -13.2397 -13.1739 -13.1739 -3.8601 -3.8601 -1.6770 -1.6770 4.9472 4.9472 5.0502 5.0502 5.9683 5.9683 6.2039 6.2039 6.3826 6.3826 6.4072 6.4072 10.4493 10.4493 10.4954 10.4954 10.6598 10.6598 11.0504 11.0504 k = 0.2128 0.5000 0.2128 ( 3852 PWs) bands (ev): -32.4922 -32.4922 -32.4720 -32.4720 -32.4521 -32.4521 -13.9089 -13.9089 -13.8809 -13.8809 -13.8293 -13.8293 -13.5998 -13.5998 -13.5328 -13.5328 -13.4575 -13.4575 -13.4203 -13.4203 -13.2450 -13.2450 -13.1766 -13.1766 -3.8842 -3.8842 -1.6816 -1.6816 4.9379 4.9379 5.0748 5.0748 6.0230 6.0230 6.2246 6.2246 6.4038 6.4038 6.4309 6.4309 10.4245 10.4245 10.4382 10.4382 10.6581 10.6581 11.0311 11.0311 k = 0.2021 0.5000 0.2021 ( 3852 PWs) bands (ev): -32.4932 -32.4932 -32.4720 -32.4720 -32.4511 -32.4511 -13.9063 -13.9063 -13.8778 -13.8778 -13.8241 -13.8241 -13.5960 -13.5960 -13.5318 -13.5318 -13.4592 -13.4592 -13.4233 -13.4233 -13.2502 -13.2502 -13.1793 -13.1793 -3.9079 -3.9079 -1.6865 -1.6865 4.9283 4.9283 5.1023 5.1023 6.0775 6.0775 6.2454 6.2454 6.4238 6.4238 6.4547 6.4547 10.3584 10.3584 10.4196 10.4196 10.6486 10.6486 11.0156 11.0156 k = 0.1915 0.5000 0.1915 ( 3862 PWs) bands (ev): -32.4943 -32.4943 -32.4720 -32.4720 -32.4501 -32.4501 -13.9039 -13.9039 -13.8747 -13.8747 -13.8192 -13.8192 -13.5925 -13.5925 -13.5307 -13.5307 -13.4602 -13.4602 -13.4264 -13.4264 -13.2554 -13.2554 -13.1820 -13.1820 -3.9310 -3.9310 -1.6914 -1.6914 4.9184 4.9184 5.1323 5.1323 6.1315 6.1315 6.2662 6.2662 6.4427 6.4427 6.4783 6.4783 10.2913 10.2913 10.4000 10.4000 10.6305 10.6305 11.0054 11.0054 k = 0.1809 0.5000 0.1809 ( 3854 PWs) bands (ev): -32.4953 -32.4953 -32.4720 -32.4720 -32.4491 -32.4491 -13.9019 -13.9019 -13.8715 -13.8715 -13.8148 -13.8148 -13.5893 -13.5893 -13.5295 -13.5295 -13.4603 -13.4603 -13.4294 -13.4294 -13.2605 -13.2605 -13.1846 -13.1846 -3.9535 -3.9535 -1.6966 -1.6966 4.9085 4.9085 5.1647 5.1647 6.1846 6.1846 6.2869 6.2869 6.4605 6.4605 6.5015 6.5015 10.2251 10.2251 10.3782 10.3782 10.6035 10.6035 11.0014 11.0014 k = 0.1702 0.5000 0.1702 ( 3850 PWs) bands (ev): -32.4963 -32.4963 -32.4720 -32.4720 -32.4481 -32.4481 -13.9002 -13.9002 -13.8682 -13.8682 -13.8108 -13.8108 -13.5863 -13.5863 -13.5283 -13.5283 -13.4596 -13.4596 -13.4323 -13.4323 -13.2656 -13.2656 -13.1872 -13.1872 -3.9753 -3.9753 -1.7018 -1.7018 4.8987 4.8987 5.1990 5.1990 6.2367 6.2367 6.3075 6.3075 6.4772 6.4772 6.5241 6.5241 10.1603 10.1603 10.3546 10.3546 10.5686 10.5686 11.0034 11.0034 k = 0.1596 0.5000 0.1596 ( 3850 PWs) bands (ev): -32.4973 -32.4973 -32.4721 -32.4721 -32.4472 -32.4472 -13.8989 -13.8989 -13.8649 -13.8649 -13.8073 -13.8073 -13.5837 -13.5837 -13.5273 -13.5273 -13.4582 -13.4582 -13.4351 -13.4351 -13.2706 -13.2706 -13.1897 -13.1897 -3.9962 -3.9962 -1.7070 -1.7070 4.8890 4.8890 5.2351 5.2351 6.2873 6.2873 6.3278 6.3278 6.4929 6.4929 6.5458 6.5458 10.0972 10.0972 10.3298 10.3298 10.5272 10.5272 11.0105 11.0105 k = 0.1489 0.5000 0.1489 ( 3858 PWs) bands (ev): -32.4982 -32.4982 -32.4721 -32.4721 -32.4464 -32.4464 -13.8979 -13.8979 -13.8616 -13.8616 -13.8043 -13.8043 -13.5812 -13.5812 -13.5264 -13.5264 -13.4564 -13.4564 -13.4374 -13.4374 -13.2757 -13.2757 -13.1921 -13.1921 -4.0162 -4.0162 -1.7122 -1.7122 4.8796 4.8796 5.2725 5.2725 6.3354 6.3354 6.3485 6.3485 6.5075 6.5075 6.5666 6.5666 10.0361 10.0361 10.3040 10.3040 10.4810 10.4810 11.0219 11.0219 k = 0.1383 0.5000 0.1383 ( 3866 PWs) bands (ev): -32.4991 -32.4991 -32.4721 -32.4721 -32.4455 -32.4455 -13.8971 -13.8971 -13.8583 -13.8583 -13.8017 -13.8017 -13.5790 -13.5790 -13.5255 -13.5255 -13.4550 -13.4550 -13.4384 -13.4384 -13.2807 -13.2807 -13.1945 -13.1945 -4.0352 -4.0352 -1.7173 -1.7173 4.8705 4.8705 5.3109 5.3109 6.3651 6.3651 6.3851 6.3851 6.5211 6.5211 6.5864 6.5864 9.9774 9.9774 10.2779 10.2779 10.4315 10.4315 11.0366 11.0366 k = 0.1277 0.5000 0.1277 ( 3868 PWs) bands (ev): -32.4999 -32.4999 -32.4721 -32.4721 -32.4448 -32.4448 -13.8965 -13.8965 -13.8550 -13.8550 -13.7996 -13.7996 -13.5770 -13.5770 -13.5247 -13.5247 -13.4551 -13.4551 -13.4372 -13.4372 -13.2857 -13.2857 -13.1966 -13.1966 -4.0531 -4.0531 -1.7223 -1.7223 4.8618 4.8618 5.3499 5.3499 6.3836 6.3836 6.4297 6.4297 6.5335 6.5335 6.6050 6.6050 9.9214 9.9214 10.2518 10.2518 10.3802 10.3802 11.0538 11.0538 k = 0.1170 0.5000 0.1170 ( 3866 PWs) bands (ev): -32.5007 -32.5007 -32.4721 -32.4721 -32.4440 -32.4440 -13.8961 -13.8961 -13.8518 -13.8518 -13.7980 -13.7980 -13.5752 -13.5752 -13.5238 -13.5238 -13.4568 -13.4568 -13.4339 -13.4339 -13.2907 -13.2907 -13.1987 -13.1987 -4.0699 -4.0699 -1.7271 -1.7271 4.8535 4.8535 5.3889 5.3889 6.4006 6.4006 6.4724 6.4724 6.5450 6.5450 6.6225 6.6225 9.8684 9.8684 10.2261 10.2261 10.3284 10.3284 11.0698 11.0698 k = 0.1064 0.5000 0.1064 ( 3866 PWs) bands (ev): -32.5014 -32.5014 -32.4722 -32.4722 -32.4433 -32.4433 -13.8959 -13.8959 -13.8486 -13.8486 -13.7968 -13.7968 -13.5735 -13.5735 -13.5227 -13.5227 -13.4595 -13.4595 -13.4291 -13.4291 -13.2957 -13.2957 -13.2007 -13.2007 -4.0854 -4.0854 -1.7317 -1.7317 4.8458 4.8458 5.4277 5.4277 6.4162 6.4162 6.5124 6.5124 6.5555 6.5555 6.6386 6.6386 9.8188 9.8188 10.2012 10.2012 10.2771 10.2771 11.0667 11.0668 k = 0.0957 0.5000 0.0957 ( 3868 PWs) bands (ev): -32.5021 -32.5021 -32.4722 -32.4722 -32.4427 -32.4427 -13.8957 -13.8957 -13.8455 -13.8455 -13.7960 -13.7960 -13.5721 -13.5721 -13.5214 -13.5214 -13.4628 -13.4628 -13.4235 -13.4235 -13.3007 -13.3007 -13.2025 -13.2025 -4.0997 -4.0997 -1.7360 -1.7360 4.8386 4.8386 5.4654 5.4654 6.4303 6.4303 6.5495 6.5495 6.5650 6.5650 6.6534 6.6534 9.7728 9.7728 10.1774 10.1774 10.2274 10.2274 11.0589 11.0589 k = 0.0851 0.5000 0.0851 ( 3868 PWs) bands (ev): -32.5027 -32.5027 -32.4722 -32.4722 -32.4421 -32.4421 -13.8958 -13.8958 -13.8425 -13.8425 -13.7954 -13.7954 -13.5709 -13.5709 -13.5198 -13.5198 -13.4663 -13.4663 -13.4176 -13.4176 -13.3057 -13.3057 -13.2042 -13.2042 -4.1126 -4.1126 -1.7400 -1.7400 4.8320 4.8320 5.5018 5.5018 6.4426 6.4426 6.5737 6.5737 6.5834 6.5834 6.6668 6.6668 9.7308 9.7308 10.1553 10.1553 10.1803 10.1803 11.0514 11.0514 k = 0.0745 0.5000 0.0745 ( 3872 PWs) bands (ev): -32.5032 -32.5032 -32.4722 -32.4722 -32.4416 -32.4416 -13.8959 -13.8959 -13.8397 -13.8397 -13.7952 -13.7952 -13.5699 -13.5699 -13.5179 -13.5179 -13.4700 -13.4700 -13.4114 -13.4114 -13.3108 -13.3108 -13.2056 -13.2056 -4.1242 -4.1242 -1.7437 -1.7437 4.8261 4.8261 5.5359 5.5359 6.4531 6.4531 6.5816 6.5816 6.6140 6.6140 6.6788 6.6788 9.6929 9.6929 10.1345 10.1345 10.1370 10.1370 11.0447 11.0447 k = 0.0638 0.5000 0.0638 ( 3872 PWs) bands (ev): -32.5037 -32.5037 -32.4722 -32.4722 -32.4412 -32.4412 -13.8961 -13.8961 -13.8371 -13.8371 -13.7952 -13.7952 -13.5692 -13.5692 -13.5156 -13.5156 -13.4738 -13.4738 -13.4052 -13.4052 -13.3157 -13.3157 -13.2069 -13.2069 -4.1343 -4.1343 -1.7469 -1.7469 4.8209 4.8209 5.5674 5.5674 6.4617 6.4617 6.5887 6.5887 6.6409 6.6409 6.6893 6.6893 9.6595 9.6595 10.0967 10.0967 10.1171 10.1171 11.0389 11.0389 k = 0.0532 0.5000 0.0532 ( 3868 PWs) bands (ev): -32.5041 -32.5041 -32.4722 -32.4722 -32.4408 -32.4408 -13.8962 -13.8962 -13.8347 -13.8347 -13.7953 -13.7953 -13.5685 -13.5685 -13.5131 -13.5131 -13.4776 -13.4776 -13.3992 -13.3992 -13.3206 -13.3206 -13.2079 -13.2079 -4.1429 -4.1429 -1.7497 -1.7497 4.8164 4.8164 5.5955 5.5955 6.4685 6.4685 6.5949 6.5949 6.6639 6.6639 6.6983 6.6983 9.6309 9.6309 10.0619 10.0619 10.1014 10.1014 11.0339 11.0339 k = 0.0426 0.5000 0.0426 ( 3868 PWs) bands (ev): -32.5044 -32.5044 -32.4722 -32.4722 -32.4405 -32.4405 -13.8964 -13.8964 -13.8326 -13.8326 -13.7956 -13.7956 -13.5681 -13.5681 -13.5102 -13.5102 -13.4815 -13.4815 -13.3935 -13.3935 -13.3252 -13.3252 -13.2088 -13.2088 -4.1500 -4.1500 -1.7520 -1.7520 4.8127 4.8127 5.6195 5.6195 6.4736 6.4736 6.6003 6.6003 6.6828 6.6828 6.7058 6.7058 9.6071 9.6071 10.0325 10.0325 10.0882 10.0882 11.0298 11.0298 k = 0.0319 0.5000 0.0319 ( 3856 PWs) bands (ev): -32.5047 -32.5047 -32.4722 -32.4722 -32.4402 -32.4402 -13.8965 -13.8965 -13.8309 -13.8309 -13.7959 -13.7959 -13.5677 -13.5677 -13.5071 -13.5071 -13.4853 -13.4853 -13.3883 -13.3883 -13.3295 -13.3295 -13.2095 -13.2095 -4.1555 -4.1555 -1.7539 -1.7539 4.8099 4.8099 5.6390 5.6390 6.4772 6.4772 6.6046 6.6046 6.6974 6.6974 6.7121 6.7121 9.5884 9.5884 10.0091 10.0091 10.0778 10.0778 11.0266 11.0266 k = 0.0213 0.5000 0.0213 ( 3856 PWs) bands (ev): -32.5049 -32.5049 -32.4722 -32.4722 -32.4400 -32.4400 -13.8966 -13.8966 -13.8296 -13.8296 -13.7963 -13.7963 -13.5674 -13.5674 -13.5038 -13.5038 -13.4891 -13.4891 -13.3841 -13.3841 -13.3331 -13.3331 -13.2101 -13.2101 -4.1595 -4.1595 -1.7552 -1.7552 4.8078 4.8078 5.6533 5.6533 6.4796 6.4796 6.6078 6.6078 6.7073 6.7073 6.7172 6.7172 9.5750 9.5750 9.9921 9.9921 10.0703 10.0703 11.0243 11.0243 k = 0.0106 0.5000 0.0106 ( 3868 PWs) bands (ev): -32.5050 -32.5050 -32.4722 -32.4722 -32.4399 -32.4399 -13.8967 -13.8967 -13.8288 -13.8288 -13.7965 -13.7965 -13.5673 -13.5673 -13.5003 -13.5003 -13.4929 -13.4929 -13.3812 -13.3812 -13.3356 -13.3356 -13.2104 -13.2104 -4.1619 -4.1619 -1.7560 -1.7560 4.8065 4.8065 5.6620 5.6620 6.4809 6.4809 6.6097 6.6097 6.7125 6.7125 6.7209 6.7209 9.5668 9.5668 9.9817 9.9817 10.0657 10.0657 11.0229 11.0229 k = 0.0000 0.5000-0.0000 ( 3868 PWs) bands (ev): -32.5050 -32.5050 -32.4722 -32.4722 -32.4399 -32.4399 -13.8967 -13.8967 -13.8285 -13.8285 -13.7966 -13.7966 -13.5673 -13.5673 -13.4973 -13.4973 -13.4961 -13.4961 -13.3802 -13.3802 -13.3365 -13.3365 -13.2105 -13.2105 -4.1627 -4.1627 -1.7563 -1.7563 4.8061 4.8061 5.6650 5.6650 6.4814 6.4814 6.6104 6.6104 6.7140 6.7140 6.7224 6.7224 9.5641 9.5641 9.9783 9.9783 10.0642 10.0642 11.0225 11.0225 k = 0.5000 0.5000-0.0000 ( 3900 PWs) bands (ev): -32.4723 -32.4723 -32.4719 -32.4719 -32.4719 -32.4719 -13.9085 -13.9085 -13.8723 -13.8723 -13.8284 -13.8284 -13.5658 -13.5658 -13.5469 -13.5469 -13.5074 -13.5074 -13.3746 -13.3746 -13.3296 -13.3296 -13.1374 -13.1374 -3.7825 -3.7825 -1.6304 -1.6304 4.6390 4.6390 4.6726 4.6726 6.2164 6.2164 6.2807 6.2807 6.4210 6.4210 6.4630 6.4630 10.4129 10.4129 10.7977 10.7977 10.8009 10.8009 11.1234 11.1261 k = 0.5000 0.5000 0.0152 ( 3884 PWs) bands (ev): -32.4723 -32.4723 -32.4719 -32.4719 -32.4719 -32.4719 -13.9085 -13.9085 -13.8726 -13.8726 -13.8287 -13.8287 -13.5667 -13.5667 -13.5468 -13.5468 -13.5065 -13.5065 -13.3750 -13.3750 -13.3286 -13.3286 -13.1373 -13.1373 -3.7817 -3.7817 -1.6304 -1.6304 4.6398 4.6398 4.6734 4.6734 6.2156 6.2156 6.2800 6.2800 6.4198 6.4198 6.4593 6.4593 10.4132 10.4132 10.7971 10.7971 10.8004 10.8004 11.1236 11.1249 k = 0.5000 0.5000 0.0303 ( 3876 PWs) bands (ev): -32.4723 -32.4723 -32.4719 -32.4719 -32.4719 -32.4719 -13.9086 -13.9086 -13.8737 -13.8737 -13.8298 -13.8298 -13.5692 -13.5692 -13.5466 -13.5466 -13.5038 -13.5038 -13.3761 -13.3761 -13.3257 -13.3257 -13.1373 -13.1373 -3.7794 -3.7794 -1.6305 -1.6305 4.6422 4.6422 4.6757 4.6757 6.2132 6.2132 6.2779 6.2779 6.4162 6.4162 6.4479 6.4479 10.4141 10.4141 10.7952 10.7952 10.7984 10.7984 11.1247 11.1264 k = 0.5000 0.5000 0.0455 ( 3868 PWs) bands (ev): -32.4723 -32.4723 -32.4719 -32.4719 -32.4719 -32.4719 -13.9087 -13.9087 -13.8754 -13.8754 -13.8315 -13.8315 -13.5730 -13.5730 -13.5463 -13.5463 -13.4998 -13.4998 -13.3777 -13.3777 -13.3212 -13.3212 -13.1372 -13.1372 -3.7756 -3.7756 -1.6307 -1.6307 4.6463 4.6463 4.6796 4.6796 6.2092 6.2092 6.2745 6.2745 6.4103 6.4103 6.4293 6.4293 10.4154 10.4154 10.7919 10.7919 10.7951 10.7951 11.1267 11.1309 k = 0.5000 0.5000 0.0606 ( 3876 PWs) bands (ev): -32.4722 -32.4722 -32.4719 -32.4719 -32.4719 -32.4719 -13.9089 -13.9089 -13.8778 -13.8778 -13.8338 -13.8338 -13.5778 -13.5778 -13.5460 -13.5460 -13.4949 -13.4949 -13.3794 -13.3794 -13.3155 -13.3155 -13.1371 -13.1371 -3.7702 -3.7702 -1.6309 -1.6309 4.6520 4.6520 4.6851 4.6851 6.2036 6.2036 6.2696 6.2696 6.4022 6.4022 6.4035 6.4035 10.4168 10.4168 10.7870 10.7870 10.7901 10.7901 11.1295 11.1345 k = 0.5000 0.5000 0.0758 ( 3864 PWs) bands (ev): -32.4722 -32.4722 -32.4719 -32.4719 -32.4719 -32.4719 -13.9092 -13.9092 -13.8809 -13.8809 -13.8367 -13.8367 -13.5830 -13.5830 -13.5454 -13.5454 -13.4894 -13.4894 -13.3812 -13.3812 -13.3088 -13.3088 -13.1370 -13.1370 -3.7634 -3.7634 -1.6312 -1.6312 4.6593 4.6593 4.6920 4.6920 6.1966 6.1966 6.2636 6.2636 6.3712 6.3712 6.3920 6.3920 10.4179 10.4179 10.7803 10.7803 10.7835 10.7835 11.1335 11.1355 k = 0.5000 0.5000 0.0909 ( 3856 PWs) bands (ev): -32.4722 -32.4722 -32.4718 -32.4718 -32.4718 -32.4718 -13.9096 -13.9096 -13.8846 -13.8846 -13.8401 -13.8401 -13.5885 -13.5885 -13.5448 -13.5448 -13.4835 -13.4835 -13.3827 -13.3827 -13.3013 -13.3013 -13.1369 -13.1369 -3.7552 -3.7552 -1.6316 -1.6316 4.6681 4.6681 4.7004 4.7004 6.1881 6.1881 6.2562 6.2562 6.3328 6.3328 6.3798 6.3798 10.4185 10.4185 10.7717 10.7717 10.7748 10.7748 11.1380 11.1429 k = 0.5000 0.5000 0.1061 ( 3856 PWs) bands (ev): -32.4722 -32.4722 -32.4718 -32.4718 -32.4718 -32.4718 -13.9100 -13.9100 -13.8890 -13.8890 -13.8439 -13.8439 -13.5943 -13.5943 -13.5440 -13.5440 -13.4774 -13.4774 -13.3841 -13.3841 -13.2933 -13.2933 -13.1368 -13.1368 -3.7457 -3.7457 -1.6320 -1.6320 4.6783 4.6783 4.7102 4.7102 6.1782 6.1782 6.2472 6.2472 6.2892 6.2892 6.3658 6.3658 10.4180 10.4180 10.7608 10.7608 10.7639 10.7639 11.1437 11.1451 k = 0.5000 0.5000 0.1212 ( 3864 PWs) bands (ev): -32.4722 -32.4722 -32.4718 -32.4718 -32.4718 -32.4718 -13.9105 -13.9105 -13.8940 -13.8940 -13.8481 -13.8481 -13.6002 -13.6002 -13.5430 -13.5430 -13.4713 -13.4713 -13.3853 -13.3853 -13.2850 -13.2850 -13.1366 -13.1366 -3.7349 -3.7349 -1.6324 -1.6324 4.6900 4.6900 4.7213 4.7213 6.1670 6.1670 6.2316 6.2316 6.2463 6.2463 6.3503 6.3503 10.4161 10.4161 10.7475 10.7475 10.7505 10.7505 11.1506 11.1524 k = 0.5000 0.5000 0.1364 ( 3864 PWs) bands (ev): -32.4721 -32.4721 -32.4718 -32.4718 -32.4718 -32.4718 -13.9110 -13.9110 -13.8996 -13.8996 -13.8525 -13.8525 -13.6060 -13.6060 -13.5420 -13.5420 -13.4650 -13.4650 -13.3862 -13.3862 -13.2762 -13.2762 -13.1365 -13.1365 -3.7229 -3.7229 -1.6330 -1.6330 4.7030 4.7030 4.7337 4.7337 6.1546 6.1546 6.1840 6.1840 6.2301 6.2301 6.3334 6.3334 10.4126 10.4126 10.7316 10.7316 10.7345 10.7345 11.1586 11.1613 k = 0.5000 0.5000 0.1515 ( 3872 PWs) bands (ev): -32.4721 -32.4721 -32.4718 -32.4718 -32.4718 -32.4718 -13.9116 -13.9116 -13.9057 -13.9057 -13.8570 -13.8570 -13.6117 -13.6117 -13.5408 -13.5408 -13.4588 -13.4588 -13.3868 -13.3868 -13.2673 -13.2673 -13.1363 -13.1363 -3.7098 -3.7098 -1.6335 -1.6335 4.7173 4.7173 4.7472 4.7472 6.1274 6.1274 6.1411 6.1411 6.2184 6.2184 6.3153 6.3153 10.4072 10.4072 10.7129 10.7129 10.7158 10.7158 11.1688 11.1729 k = 0.5000 0.5000 0.1667 ( 3876 PWs) bands (ev): -32.4721 -32.4721 -32.4718 -32.4718 -32.4718 -32.4718 -13.9123 -13.9123 -13.9123 -13.9123 -13.8617 -13.8617 -13.6174 -13.6174 -13.5394 -13.5394 -13.4527 -13.4527 -13.3872 -13.3872 -13.2581 -13.2581 -13.1361 -13.1361 -3.6957 -3.6957 -1.6341 -1.6341 4.7328 4.7328 4.7618 4.7618 6.0674 6.0674 6.1267 6.1267 6.2063 6.2063 6.2963 6.2963 10.3998 10.3998 10.6916 10.6916 10.6944 10.6944 11.1785 11.1827 k = 0.5000 0.5000 0.1818 ( 3868 PWs) bands (ev): -32.4721 -32.4721 -32.4718 -32.4718 -32.4718 -32.4718 -13.9192 -13.9192 -13.9130 -13.9130 -13.8664 -13.8664 -13.6229 -13.6229 -13.5380 -13.5380 -13.4466 -13.4466 -13.3874 -13.3874 -13.2490 -13.2490 -13.1359 -13.1359 -3.6807 -3.6807 -1.6348 -1.6348 4.7494 4.7494 4.7775 4.7775 6.0050 6.0050 6.1113 6.1113 6.1938 6.1938 6.2766 6.2766 10.3904 10.3904 10.6676 10.6676 10.6703 10.6703 11.1897 11.1949 k = 0.5000 0.5000 0.1970 ( 3856 PWs) bands (ev): -32.4720 -32.4720 -32.4718 -32.4718 -32.4717 -32.4717 -13.9264 -13.9264 -13.9137 -13.9137 -13.8710 -13.8710 -13.6282 -13.6282 -13.5364 -13.5364 -13.4407 -13.4407 -13.3873 -13.3873 -13.2398 -13.2398 -13.1356 -13.1356 -3.6650 -3.6650 -1.6354 -1.6354 4.7669 4.7669 4.7939 4.7939 5.9408 5.9408 6.0952 6.0952 6.1808 6.1808 6.2565 6.2565 10.3792 10.3792 10.6410 10.6410 10.6437 10.6437 11.2018 11.2063 k = 0.5000 0.5000 0.2121 ( 3864 PWs) bands (ev): -32.4720 -32.4720 -32.4717 -32.4717 -32.4717 -32.4717 -13.9339 -13.9339 -13.9145 -13.9145 -13.8757 -13.8757 -13.6334 -13.6334 -13.5349 -13.5349 -13.4350 -13.4350 -13.3872 -13.3872 -13.2307 -13.2307 -13.1354 -13.1354 -3.6487 -3.6487 -1.6361 -1.6361 4.7853 4.7853 4.8112 4.8112 5.8755 5.8755 6.0785 6.0785 6.1675 6.1675 6.2361 6.2361 10.3663 10.3663 10.6121 10.6121 10.6147 10.6147 11.2156 11.2181 k = 0.5000 0.5000 0.2273 ( 3848 PWs) bands (ev): -32.4719 -32.4719 -32.4717 -32.4717 -32.4717 -32.4717 -13.9415 -13.9415 -13.9152 -13.9152 -13.8802 -13.8802 -13.6382 -13.6382 -13.5333 -13.5333 -13.4294 -13.4294 -13.3868 -13.3868 -13.2218 -13.2218 -13.1351 -13.1351 -3.6318 -3.6318 -1.6368 -1.6368 4.8045 4.8045 4.8290 4.8290 5.8098 5.8098 6.0613 6.0613 6.1539 6.1539 6.2156 6.2156 10.3519 10.3519 10.5812 10.5812 10.5837 10.5837 11.2217 11.2217 k = 0.5000 0.5000 0.2424 ( 3848 PWs) bands (ev): -32.4719 -32.4719 -32.4717 -32.4717 -32.4717 -32.4717 -13.9492 -13.9492 -13.9161 -13.9161 -13.8846 -13.8846 -13.6429 -13.6429 -13.5316 -13.5316 -13.4240 -13.4240 -13.3864 -13.3864 -13.2131 -13.2131 -13.1349 -13.1349 -3.6146 -3.6146 -1.6375 -1.6375 4.8242 4.8242 4.8473 4.8473 5.7441 5.7441 6.0438 6.0438 6.1403 6.1403 6.1953 6.1953 10.3362 10.3362 10.5486 10.5486 10.5511 10.5511 11.2148 11.2148 k = 0.5000 0.5000 0.2576 ( 3840 PWs) bands (ev): -32.4719 -32.4719 -32.4717 -32.4717 -32.4717 -32.4717 -13.9568 -13.9568 -13.9169 -13.9169 -13.8889 -13.8889 -13.6473 -13.6473 -13.5300 -13.5300 -13.4189 -13.4189 -13.3858 -13.3858 -13.2047 -13.2047 -13.1346 -13.1346 -3.5972 -3.5972 -1.6383 -1.6383 4.8444 4.8444 4.8660 4.8660 5.6791 5.6791 6.0260 6.0260 6.1266 6.1266 6.1753 6.1753 10.3197 10.3197 10.5147 10.5147 10.5172 10.5172 11.2063 11.2063 k = 0.5000 0.5000 0.2727 ( 3840 PWs) bands (ev): -32.4718 -32.4718 -32.4717 -32.4717 -32.4717 -32.4717 -13.9644 -13.9644 -13.9177 -13.9177 -13.8931 -13.8931 -13.6515 -13.6515 -13.5285 -13.5285 -13.4140 -13.4140 -13.3852 -13.3852 -13.1966 -13.1966 -13.1344 -13.1344 -3.5798 -3.5798 -1.6390 -1.6390 4.8648 4.8648 4.8847 4.8847 5.6153 5.6153 6.0082 6.0082 6.1130 6.1130 6.1557 6.1557 10.3025 10.3025 10.4798 10.4798 10.4824 10.4824 11.1969 11.1969 k = 0.5000 0.5000 0.2879 ( 3832 PWs) bands (ev): -32.4718 -32.4718 -32.4716 -32.4716 -32.4716 -32.4716 -13.9717 -13.9717 -13.9186 -13.9186 -13.8970 -13.8970 -13.6555 -13.6555 -13.5269 -13.5269 -13.4094 -13.4094 -13.3844 -13.3844 -13.1888 -13.1888 -13.1341 -13.1341 -3.5625 -3.5625 -1.6397 -1.6397 4.8854 4.8854 4.9035 4.9035 5.5532 5.5532 5.9904 5.9904 6.0997 6.0997 6.1367 6.1367 10.2850 10.2850 10.4445 10.4445 10.4472 10.4472 11.1868 11.1868 k = 0.5000 0.5000 0.3030 ( 3852 PWs) bands (ev): -32.4718 -32.4718 -32.4716 -32.4716 -32.4716 -32.4716 -13.9789 -13.9789 -13.9195 -13.9195 -13.9008 -13.9008 -13.6592 -13.6592 -13.5255 -13.5255 -13.4051 -13.4051 -13.3838 -13.3838 -13.1814 -13.1814 -13.1339 -13.1339 -3.5455 -3.5455 -1.6404 -1.6404 4.9058 4.9058 4.9221 4.9221 5.4932 5.4932 5.9730 5.9730 6.0867 6.0867 6.1185 6.1185 10.2675 10.2675 10.4091 10.4091 10.4120 10.4120 11.1763 11.1763 k = 0.5000 0.5000 0.3182 ( 3852 PWs) bands (ev): -32.4717 -32.4717 -32.4716 -32.4716 -32.4716 -32.4716 -13.9858 -13.9858 -13.9203 -13.9203 -13.9044 -13.9044 -13.6626 -13.6626 -13.5241 -13.5241 -13.4010 -13.4010 -13.3830 -13.3830 -13.1744 -13.1744 -13.1337 -13.1337 -3.5289 -3.5289 -1.6410 -1.6410 4.9261 4.9261 4.9403 4.9403 5.4359 5.4359 5.9559 5.9559 6.0742 6.0742 6.1011 6.1011 10.2502 10.2502 10.3742 10.3742 10.3773 10.3773 11.1658 11.1658 k = 0.5000 0.5000 0.3333 ( 3868 PWs) bands (ev): -32.4717 -32.4717 -32.4716 -32.4716 -32.4716 -32.4716 -13.9923 -13.9923 -13.9212 -13.9212 -13.9078 -13.9078 -13.6658 -13.6658 -13.5228 -13.5228 -13.3973 -13.3973 -13.3822 -13.3822 -13.1680 -13.1680 -13.1335 -13.1335 -3.5130 -3.5130 -1.6417 -1.6417 4.9458 4.9458 4.9580 4.9580 5.3816 5.3816 5.9394 5.9394 6.0622 6.0622 6.0847 6.0847 10.2334 10.2334 10.3402 10.3402 10.3435 10.3435 11.1553 11.1553 k = 0.5000 0.5000 0.3485 ( 3860 PWs) bands (ev): -32.4717 -32.4717 -32.4716 -32.4716 -32.4716 -32.4716 -13.9984 -13.9984 -13.9220 -13.9220 -13.9108 -13.9108 -13.6686 -13.6686 -13.5216 -13.5216 -13.3938 -13.3938 -13.3814 -13.3814 -13.1619 -13.1619 -13.1332 -13.1332 -3.4977 -3.4977 -1.6423 -1.6423 4.9649 4.9649 4.9750 4.9750 5.3306 5.3306 5.9236 5.9236 6.0509 6.0509 6.0694 6.0694 10.2173 10.2173 10.3076 10.3076 10.3111 10.3111 11.1452 11.1452 k = 0.5000 0.5000 0.3636 ( 3864 PWs) bands (ev): -32.4716 -32.4716 -32.4716 -32.4716 -32.4716 -32.4716 -14.0040 -14.0040 -13.9227 -13.9227 -13.9137 -13.9137 -13.6712 -13.6712 -13.5205 -13.5205 -13.3906 -13.3906 -13.3807 -13.3807 -13.1564 -13.1564 -13.1330 -13.1330 -3.4835 -3.4835 -1.6429 -1.6429 4.9832 4.9832 4.9910 4.9910 5.2834 5.2834 5.9087 5.9087 6.0403 6.0403 6.0552 6.0552 10.2022 10.2022 10.2767 10.2767 10.2804 10.2804 11.1356 11.1356 k = 0.5000 0.5000 0.3788 ( 3868 PWs) bands (ev): -32.4716 -32.4716 -32.4716 -32.4716 -32.4716 -32.4716 -14.0092 -14.0092 -13.9234 -13.9234 -13.9163 -13.9163 -13.6735 -13.6735 -13.5195 -13.5195 -13.3878 -13.3878 -13.3800 -13.3800 -13.1514 -13.1514 -13.1329 -13.1329 -3.4702 -3.4702 -1.6434 -1.6434 5.0003 5.0003 5.0060 5.0060 5.2404 5.2404 5.8949 5.8949 6.0305 6.0305 6.0423 6.0423 10.1882 10.1882 10.2479 10.2479 10.2519 10.2519 11.1266 11.1266 k = 0.5000 0.5000 0.3939 ( 3868 PWs) bands (ev): -32.4716 -32.4716 -32.4716 -32.4716 -32.4716 -32.4716 -14.0139 -14.0139 -13.9240 -13.9240 -13.9186 -13.9186 -13.6756 -13.6756 -13.5186 -13.5186 -13.3852 -13.3852 -13.3793 -13.3793 -13.1469 -13.1469 -13.1327 -13.1327 -3.4582 -3.4582 -1.6439 -1.6439 5.0161 5.0161 5.0196 5.0196 5.2016 5.2016 5.8822 5.8822 6.0217 6.0217 6.0307 6.0307 10.1754 10.1754 10.2217 10.2217 10.2258 10.2258 11.1184 11.1184 k = 0.5000 0.5000 0.4091 ( 3876 PWs) bands (ev): -32.4716 -32.4716 -32.4716 -32.4716 -32.4716 -32.4716 -14.0180 -14.0180 -13.9246 -13.9246 -13.9206 -13.9206 -13.6774 -13.6774 -13.5179 -13.5179 -13.3830 -13.3830 -13.3787 -13.3787 -13.1430 -13.1430 -13.1325 -13.1325 -3.4475 -3.4475 -1.6443 -1.6443 5.0303 5.0303 5.0319 5.0319 5.1675 5.1675 5.8709 5.8709 6.0139 6.0139 6.0204 6.0204 10.1640 10.1640 10.1983 10.1983 10.2026 10.2026 11.1110 11.1110 k = 0.5000 0.5000 0.4242 ( 3876 PWs) bands (ev): -32.4716 -32.4716 -32.4715 -32.4715 -32.4715 -32.4715 -14.0215 -14.0215 -13.9251 -13.9251 -13.9223 -13.9223 -13.6789 -13.6789 -13.5172 -13.5172 -13.3812 -13.3812 -13.3782 -13.3782 -13.1397 -13.1397 -13.1324 -13.1324 -3.4382 -3.4382 -1.6447 -1.6447 5.0425 5.0425 5.0428 5.0428 5.1383 5.1383 5.8610 5.8610 6.0071 6.0071 6.0117 6.0117 10.1541 10.1541 10.1781 10.1781 10.1824 10.1824 11.1047 11.1047 k = 0.5000 0.5000 0.4394 ( 3876 PWs) bands (ev): -32.4716 -32.4716 -32.4715 -32.4715 -32.4715 -32.4715 -14.0243 -14.0243 -13.9255 -13.9255 -13.9237 -13.9237 -13.6801 -13.6801 -13.5167 -13.5167 -13.3796 -13.3796 -13.3777 -13.3777 -13.1369 -13.1369 -13.1323 -13.1323 -3.4305 -3.4305 -1.6450 -1.6450 5.0514 5.0514 5.0534 5.0534 5.1142 5.1142 5.8527 5.8527 6.0015 6.0015 6.0044 6.0044 10.1456 10.1456 10.1615 10.1615 10.1656 10.1656 11.0994 11.0994 k = 0.5000 0.5000 0.4545 ( 3876 PWs) bands (ev): -32.4715 -32.4715 -32.4715 -32.4715 -32.4715 -32.4715 -14.0266 -14.0266 -13.9258 -13.9258 -13.9248 -13.9248 -13.6810 -13.6810 -13.5162 -13.5162 -13.3784 -13.3784 -13.3774 -13.3774 -13.1348 -13.1348 -13.1322 -13.1322 -3.4244 -3.4244 -1.6452 -1.6452 5.0583 5.0583 5.0618 5.0618 5.0953 5.0953 5.8461 5.8461 5.9971 5.9971 5.9987 5.9987 10.1384 10.1384 10.1488 10.1488 10.1523 10.1523 11.0953 11.0953 k = 0.5000 0.5000 0.4697 ( 3876 PWs) bands (ev): -32.4715 -32.4715 -32.4715 -32.4715 -32.4715 -32.4715 -14.0282 -14.0282 -13.9261 -13.9261 -13.9256 -13.9256 -13.6817 -13.6817 -13.5159 -13.5159 -13.3776 -13.3776 -13.3771 -13.3771 -13.1333 -13.1333 -13.1321 -13.1321 -3.4200 -3.4200 -1.6454 -1.6454 5.0631 5.0631 5.0679 5.0679 5.0820 5.0820 5.8413 5.8413 5.9939 5.9939 5.9946 5.9946 10.1324 10.1324 10.1405 10.1405 10.1427 10.1427 11.0922 11.0922 k = 0.5000 0.5000 0.4848 ( 3860 PWs) bands (ev): -32.4715 -32.4715 -32.4715 -32.4715 -32.4715 -32.4715 -14.0292 -14.0292 -13.9262 -13.9262 -13.9261 -13.9261 -13.6821 -13.6821 -13.5157 -13.5157 -13.3770 -13.3770 -13.3769 -13.3769 -13.1323 -13.1323 -13.1320 -13.1320 -3.4173 -3.4173 -1.6455 -1.6455 5.0653 5.0653 5.0717 5.0717 5.0747 5.0747 5.8384 5.8384 5.9919 5.9919 5.9921 5.9921 10.1281 10.1281 10.1362 10.1362 10.1369 10.1369 11.0904 11.0904 k = 0.5000 0.5000 0.5000 ( 3840 PWs) bands (ev): -32.4715 -32.4715 -32.4715 -32.4715 -32.4715 -32.4715 -14.0294 -14.0294 -13.9262 -13.9262 -13.9262 -13.9262 -13.6821 -13.6821 -13.5156 -13.5156 -13.3768 -13.3768 -13.3768 -13.3768 -13.1320 -13.1320 -13.1320 -13.1320 -3.4164 -3.4164 -1.6455 -1.6455 5.0654 5.0654 5.0729 5.0729 5.0729 5.0729 5.8374 5.8374 5.9913 5.9913 5.9913 5.9913 10.1265 10.1265 10.1350 10.1350 10.1350 10.1350 11.0898 11.0898 Writing output data file Ca3AsN.save init_run : 0.22s CPU 0.34s WALL ( 1 calls) electrons : 245.85s CPU 249.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 245.84s CPU 249.44s 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 : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 257 calls) cegterg : 232.58s CPU 235.87s WALL ( 999 calls) Called by sum_band: Called by *egterg: h_psi : 102.81s CPU 104.84s WALL ( 18998 calls) s_psi : 6.18s CPU 6.22s WALL ( 18998 calls) g_psi : 0.26s CPU 0.29s WALL ( 17742 calls) cdiaghg : 108.96s CPU 110.29s WALL ( 17999 calls) cegterg:over : 7.18s CPU 7.18s WALL ( 17742 calls) cegterg:upda : 7.06s CPU 7.03s WALL ( 17742 calls) cegterg:last : 2.86s CPU 2.87s WALL ( 1858 calls) cdiaghg:chol : 5.88s CPU 5.90s WALL ( 17999 calls) cdiaghg:inve : 4.01s CPU 3.97s WALL ( 17999 calls) cdiaghg:para : 5.97s CPU 6.11s WALL ( 35998 calls) Called by h_psi: h_psi:vloc : 88.75s CPU 90.50s WALL ( 18998 calls) h_psi:vnl : 13.82s CPU 14.09s WALL ( 18998 calls) add_vuspsi : 7.06s CPU 7.21s WALL ( 18998 calls) General routines calbec : 6.72s CPU 6.83s WALL ( 18998 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 82.62s CPU 84.35s WALL ( 1070616 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.17s WALL ( 514 calls) Parallel routines fft_scatter : 30.36s CPU 31.32s WALL ( 1070639 calls) PWSCF : 4m17.52s CPU 4m28.50s WALL This run was terminated on: 20:38:47 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=