Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:10:32 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: ./RbCuC2.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 51 28 8 1833 760 124 Max 52 29 9 1838 781 129 Sum 1861 1041 305 66073 27769 4517 bravais-lattice index = 14 lattice parameter (alat) = 8.4304 a.u. unit-cell volume = 660.5237 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.430446 celldm(2)= 1.000000 celldm(3)= 1.102394 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 1.102394 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.907117 ) PseudoPot. # 1 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Rb 9.00 85.46780 Rb( 1.00) C 4.00 12.01070 C( 1.00) Cu 11.00 63.54600 Cu( 1.00) 16 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 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 349 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0028653 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0028653 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0028653 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0028653 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0028653 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0028653 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0028653 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0028653 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0028653 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0028653 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0028653 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0028653 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0028653 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0028653 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0028653 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0028653 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0028653 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028653 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0028653 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0028653 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0028653 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0028653 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0028653 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0028653 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0028653 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0028653 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0028653 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0028653 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0028653 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0028653 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0028653 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0028653 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0028653 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0028653 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0028653 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028653 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028653 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0028653 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0028653 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0028653 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0028653 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0028653 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0028653 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0028653 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0028653 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0028653 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0028653 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0028653 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0028653 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0028653 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0028653 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0028653 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0028653 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0028653 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0028653 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0028653 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0028653 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0028653 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0028653 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0028653 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0028653 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0028653 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0028653 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0028653 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0028653 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0028653 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0028653 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0028653 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0028653 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0028653 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0028653 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0028653 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028653 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028653 k( 76) = ( 0.4900000 0.4900000 -0.0000000), wk = 0.0028653 k( 77) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0028653 k( 78) = ( 0.4700000 0.4700000 -0.0000000), wk = 0.0028653 k( 79) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0028653 k( 80) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0028653 k( 81) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0028653 k( 82) = ( 0.4300000 0.4300000 -0.0000000), wk = 0.0028653 k( 83) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0028653 k( 84) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0028653 k( 85) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0028653 k( 86) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0028653 k( 87) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0028653 k( 88) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0028653 k( 89) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0028653 k( 90) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0028653 k( 91) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0028653 k( 92) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0028653 k( 93) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0028653 k( 94) = ( 0.3100000 0.3100000 -0.0000000), wk = 0.0028653 k( 95) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0028653 k( 96) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0028653 k( 97) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0028653 k( 98) = ( 0.2700000 0.2700000 -0.0000000), wk = 0.0028653 k( 99) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0028653 k( 100) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028653 k( 101) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0028653 k( 102) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0028653 k( 103) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0028653 k( 104) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0028653 k( 105) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0028653 k( 106) = ( 0.1900000 0.1900000 -0.0000000), wk = 0.0028653 k( 107) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0028653 k( 108) = ( 0.1700000 0.1700000 -0.0000000), wk = 0.0028653 k( 109) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0028653 k( 110) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0028653 k( 111) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0028653 k( 112) = ( 0.1300000 0.1300000 -0.0000000), wk = 0.0028653 k( 113) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0028653 k( 114) = ( 0.1100000 0.1100000 -0.0000000), wk = 0.0028653 k( 115) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0028653 k( 116) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0028653 k( 117) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0028653 k( 118) = ( 0.0700000 0.0700000 -0.0000000), wk = 0.0028653 k( 119) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0028653 k( 120) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0028653 k( 121) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0028653 k( 122) = ( 0.0300000 0.0300000 -0.0000000), wk = 0.0028653 k( 123) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0028653 k( 124) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0028653 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 127) = ( 0.0000000 0.0000000 0.0141737), wk = 0.0028653 k( 128) = ( 0.0000000 0.0000000 0.0283474), wk = 0.0028653 k( 129) = ( 0.0000000 0.0000000 0.0425211), wk = 0.0028653 k( 130) = ( 0.0000000 0.0000000 0.0566948), wk = 0.0028653 k( 131) = ( 0.0000000 0.0000000 0.0708685), wk = 0.0028653 k( 132) = ( 0.0000000 0.0000000 0.0850422), wk = 0.0028653 k( 133) = ( 0.0000000 0.0000000 0.0992159), wk = 0.0028653 k( 134) = ( 0.0000000 0.0000000 0.1133896), wk = 0.0028653 k( 135) = ( 0.0000000 0.0000000 0.1275633), wk = 0.0028653 k( 136) = ( 0.0000000 0.0000000 0.1417370), wk = 0.0028653 k( 137) = ( 0.0000000 0.0000000 0.1559107), wk = 0.0028653 k( 138) = ( 0.0000000 0.0000000 0.1700844), wk = 0.0028653 k( 139) = ( 0.0000000 0.0000000 0.1842581), wk = 0.0028653 k( 140) = ( 0.0000000 0.0000000 0.1984318), wk = 0.0028653 k( 141) = ( 0.0000000 0.0000000 0.2126055), wk = 0.0028653 k( 142) = ( 0.0000000 0.0000000 0.2267792), wk = 0.0028653 k( 143) = ( 0.0000000 0.0000000 0.2409529), wk = 0.0028653 k( 144) = ( 0.0000000 0.0000000 0.2551266), wk = 0.0028653 k( 145) = ( 0.0000000 0.0000000 0.2693003), wk = 0.0028653 k( 146) = ( 0.0000000 0.0000000 0.2834740), wk = 0.0028653 k( 147) = ( 0.0000000 0.0000000 0.2976477), wk = 0.0028653 k( 148) = ( 0.0000000 0.0000000 0.3118214), wk = 0.0028653 k( 149) = ( 0.0000000 0.0000000 0.3259951), wk = 0.0028653 k( 150) = ( 0.0000000 0.0000000 0.3401688), wk = 0.0028653 k( 151) = ( 0.0000000 0.0000000 0.3543425), wk = 0.0028653 k( 152) = ( 0.0000000 0.0000000 0.3685162), wk = 0.0028653 k( 153) = ( 0.0000000 0.0000000 0.3826899), wk = 0.0028653 k( 154) = ( 0.0000000 0.0000000 0.3968636), wk = 0.0028653 k( 155) = ( 0.0000000 0.0000000 0.4110373), wk = 0.0028653 k( 156) = ( 0.0000000 0.0000000 0.4252110), wk = 0.0028653 k( 157) = ( 0.0000000 0.0000000 0.4393847), wk = 0.0028653 k( 158) = ( 0.0000000 0.0000000 0.4535584), wk = 0.0028653 k( 159) = ( 0.0000000 0.0000000 0.4535584), wk = 0.0028653 k( 160) = ( 0.0000000 0.0138889 0.4535584), wk = 0.0028653 k( 161) = ( 0.0000000 0.0277778 0.4535584), wk = 0.0028653 k( 162) = ( 0.0000000 0.0416667 0.4535584), wk = 0.0028653 k( 163) = ( 0.0000000 0.0555556 0.4535584), wk = 0.0028653 k( 164) = ( 0.0000000 0.0694444 0.4535584), wk = 0.0028653 k( 165) = ( 0.0000000 0.0833333 0.4535584), wk = 0.0028653 k( 166) = ( 0.0000000 0.0972222 0.4535584), wk = 0.0028653 k( 167) = ( 0.0000000 0.1111111 0.4535584), wk = 0.0028653 k( 168) = ( 0.0000000 0.1250000 0.4535584), wk = 0.0028653 k( 169) = ( 0.0000000 0.1388889 0.4535584), wk = 0.0028653 k( 170) = ( 0.0000000 0.1527778 0.4535584), wk = 0.0028653 k( 171) = ( 0.0000000 0.1666667 0.4535584), wk = 0.0028653 k( 172) = ( 0.0000000 0.1805556 0.4535584), wk = 0.0028653 k( 173) = ( 0.0000000 0.1944444 0.4535584), wk = 0.0028653 k( 174) = ( 0.0000000 0.2083333 0.4535584), wk = 0.0028653 k( 175) = ( 0.0000000 0.2222222 0.4535584), wk = 0.0028653 k( 176) = ( 0.0000000 0.2361111 0.4535584), wk = 0.0028653 k( 177) = ( 0.0000000 0.2500000 0.4535584), wk = 0.0028653 k( 178) = ( 0.0000000 0.2638889 0.4535584), wk = 0.0028653 k( 179) = ( 0.0000000 0.2777778 0.4535584), wk = 0.0028653 k( 180) = ( 0.0000000 0.2916667 0.4535584), wk = 0.0028653 k( 181) = ( 0.0000000 0.3055556 0.4535584), wk = 0.0028653 k( 182) = ( 0.0000000 0.3194444 0.4535584), wk = 0.0028653 k( 183) = ( 0.0000000 0.3333333 0.4535584), wk = 0.0028653 k( 184) = ( 0.0000000 0.3472222 0.4535584), wk = 0.0028653 k( 185) = ( 0.0000000 0.3611111 0.4535584), wk = 0.0028653 k( 186) = ( 0.0000000 0.3750000 0.4535584), wk = 0.0028653 k( 187) = ( 0.0000000 0.3888889 0.4535584), wk = 0.0028653 k( 188) = ( 0.0000000 0.4027778 0.4535584), wk = 0.0028653 k( 189) = ( 0.0000000 0.4166667 0.4535584), wk = 0.0028653 k( 190) = ( 0.0000000 0.4305556 0.4535584), wk = 0.0028653 k( 191) = ( 0.0000000 0.4444444 0.4535584), wk = 0.0028653 k( 192) = ( 0.0000000 0.4583333 0.4535584), wk = 0.0028653 k( 193) = ( 0.0000000 0.4722222 0.4535584), wk = 0.0028653 k( 194) = ( 0.0000000 0.4861111 0.4535584), wk = 0.0028653 k( 195) = ( 0.0000000 0.5000000 0.4535584), wk = 0.0028653 k( 196) = ( 0.0000000 0.5000000 0.4535584), wk = 0.0028653 k( 197) = ( 0.0138889 0.5000000 0.4535584), wk = 0.0028653 k( 198) = ( 0.0277778 0.5000000 0.4535584), wk = 0.0028653 k( 199) = ( 0.0416667 0.5000000 0.4535584), wk = 0.0028653 k( 200) = ( 0.0555556 0.5000000 0.4535584), wk = 0.0028653 k( 201) = ( 0.0694444 0.5000000 0.4535584), wk = 0.0028653 k( 202) = ( 0.0833333 0.5000000 0.4535584), wk = 0.0028653 k( 203) = ( 0.0972222 0.5000000 0.4535584), wk = 0.0028653 k( 204) = ( 0.1111111 0.5000000 0.4535584), wk = 0.0028653 k( 205) = ( 0.1250000 0.5000000 0.4535584), wk = 0.0028653 k( 206) = ( 0.1388889 0.5000000 0.4535584), wk = 0.0028653 k( 207) = ( 0.1527778 0.5000000 0.4535584), wk = 0.0028653 k( 208) = ( 0.1666667 0.5000000 0.4535584), wk = 0.0028653 k( 209) = ( 0.1805556 0.5000000 0.4535584), wk = 0.0028653 k( 210) = ( 0.1944444 0.5000000 0.4535584), wk = 0.0028653 k( 211) = ( 0.2083333 0.5000000 0.4535584), wk = 0.0028653 k( 212) = ( 0.2222222 0.5000000 0.4535584), wk = 0.0028653 k( 213) = ( 0.2361111 0.5000000 0.4535584), wk = 0.0028653 k( 214) = ( 0.2500000 0.5000000 0.4535584), wk = 0.0028653 k( 215) = ( 0.2638889 0.5000000 0.4535584), wk = 0.0028653 k( 216) = ( 0.2777778 0.5000000 0.4535584), wk = 0.0028653 k( 217) = ( 0.2916667 0.5000000 0.4535584), wk = 0.0028653 k( 218) = ( 0.3055556 0.5000000 0.4535584), wk = 0.0028653 k( 219) = ( 0.3194444 0.5000000 0.4535584), wk = 0.0028653 k( 220) = ( 0.3333333 0.5000000 0.4535584), wk = 0.0028653 k( 221) = ( 0.3472222 0.5000000 0.4535584), wk = 0.0028653 k( 222) = ( 0.3611111 0.5000000 0.4535584), wk = 0.0028653 k( 223) = ( 0.3750000 0.5000000 0.4535584), wk = 0.0028653 k( 224) = ( 0.3888889 0.5000000 0.4535584), wk = 0.0028653 k( 225) = ( 0.4027778 0.5000000 0.4535584), wk = 0.0028653 k( 226) = ( 0.4166667 0.5000000 0.4535584), wk = 0.0028653 k( 227) = ( 0.4305556 0.5000000 0.4535584), wk = 0.0028653 k( 228) = ( 0.4444444 0.5000000 0.4535584), wk = 0.0028653 k( 229) = ( 0.4583333 0.5000000 0.4535584), wk = 0.0028653 k( 230) = ( 0.4722222 0.5000000 0.4535584), wk = 0.0028653 k( 231) = ( 0.4861111 0.5000000 0.4535584), wk = 0.0028653 k( 232) = ( 0.5000000 0.5000000 0.4535584), wk = 0.0028653 k( 233) = ( 0.5000000 0.5000000 0.4535584), wk = 0.0028653 k( 234) = ( 0.4900000 0.4900000 0.4535584), wk = 0.0028653 k( 235) = ( 0.4800000 0.4800000 0.4535584), wk = 0.0028653 k( 236) = ( 0.4700000 0.4700000 0.4535584), wk = 0.0028653 k( 237) = ( 0.4600000 0.4600000 0.4535584), wk = 0.0028653 k( 238) = ( 0.4500000 0.4500000 0.4535584), wk = 0.0028653 k( 239) = ( 0.4400000 0.4400000 0.4535584), wk = 0.0028653 k( 240) = ( 0.4300000 0.4300000 0.4535584), wk = 0.0028653 k( 241) = ( 0.4200000 0.4200000 0.4535584), wk = 0.0028653 k( 242) = ( 0.4100000 0.4100000 0.4535584), wk = 0.0028653 k( 243) = ( 0.4000000 0.4000000 0.4535584), wk = 0.0028653 k( 244) = ( 0.3900000 0.3900000 0.4535584), wk = 0.0028653 k( 245) = ( 0.3800000 0.3800000 0.4535584), wk = 0.0028653 k( 246) = ( 0.3700000 0.3700000 0.4535584), wk = 0.0028653 k( 247) = ( 0.3600000 0.3600000 0.4535584), wk = 0.0028653 k( 248) = ( 0.3500000 0.3500000 0.4535584), wk = 0.0028653 k( 249) = ( 0.3400000 0.3400000 0.4535584), wk = 0.0028653 k( 250) = ( 0.3300000 0.3300000 0.4535584), wk = 0.0028653 k( 251) = ( 0.3200000 0.3200000 0.4535584), wk = 0.0028653 k( 252) = ( 0.3100000 0.3100000 0.4535584), wk = 0.0028653 k( 253) = ( 0.3000000 0.3000000 0.4535584), wk = 0.0028653 k( 254) = ( 0.2900000 0.2900000 0.4535584), wk = 0.0028653 k( 255) = ( 0.2800000 0.2800000 0.4535584), wk = 0.0028653 k( 256) = ( 0.2700000 0.2700000 0.4535584), wk = 0.0028653 k( 257) = ( 0.2600000 0.2600000 0.4535584), wk = 0.0028653 k( 258) = ( 0.2500000 0.2500000 0.4535584), wk = 0.0028653 k( 259) = ( 0.2400000 0.2400000 0.4535584), wk = 0.0028653 k( 260) = ( 0.2300000 0.2300000 0.4535584), wk = 0.0028653 k( 261) = ( 0.2200000 0.2200000 0.4535584), wk = 0.0028653 k( 262) = ( 0.2100000 0.2100000 0.4535584), wk = 0.0028653 k( 263) = ( 0.2000000 0.2000000 0.4535584), wk = 0.0028653 k( 264) = ( 0.1900000 0.1900000 0.4535584), wk = 0.0028653 k( 265) = ( 0.1800000 0.1800000 0.4535584), wk = 0.0028653 k( 266) = ( 0.1700000 0.1700000 0.4535584), wk = 0.0028653 k( 267) = ( 0.1600000 0.1600000 0.4535584), wk = 0.0028653 k( 268) = ( 0.1500000 0.1500000 0.4535584), wk = 0.0028653 k( 269) = ( 0.1400000 0.1400000 0.4535584), wk = 0.0028653 k( 270) = ( 0.1300000 0.1300000 0.4535584), wk = 0.0028653 k( 271) = ( 0.1200000 0.1200000 0.4535584), wk = 0.0028653 k( 272) = ( 0.1100000 0.1100000 0.4535584), wk = 0.0028653 k( 273) = ( 0.1000000 0.1000000 0.4535584), wk = 0.0028653 k( 274) = ( 0.0900000 0.0900000 0.4535584), wk = 0.0028653 k( 275) = ( 0.0800000 0.0800000 0.4535584), wk = 0.0028653 k( 276) = ( 0.0700000 0.0700000 0.4535584), wk = 0.0028653 k( 277) = ( 0.0600000 0.0600000 0.4535584), wk = 0.0028653 k( 278) = ( 0.0500000 0.0500000 0.4535584), wk = 0.0028653 k( 279) = ( 0.0400000 0.0400000 0.4535584), wk = 0.0028653 k( 280) = ( 0.0300000 0.0300000 0.4535584), wk = 0.0028653 k( 281) = ( 0.0200000 0.0200000 0.4535584), wk = 0.0028653 k( 282) = ( 0.0100000 0.0100000 0.4535584), wk = 0.0028653 k( 283) = ( 0.0000000 0.0000000 0.4535584), wk = 0.0028653 k( 284) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028653 k( 285) = ( 0.0000000 0.5000000 0.0141737), wk = 0.0028653 k( 286) = ( 0.0000000 0.5000000 0.0283474), wk = 0.0028653 k( 287) = ( 0.0000000 0.5000000 0.0425211), wk = 0.0028653 k( 288) = ( 0.0000000 0.5000000 0.0566948), wk = 0.0028653 k( 289) = ( 0.0000000 0.5000000 0.0708685), wk = 0.0028653 k( 290) = ( 0.0000000 0.5000000 0.0850422), wk = 0.0028653 k( 291) = ( 0.0000000 0.5000000 0.0992159), wk = 0.0028653 k( 292) = ( 0.0000000 0.5000000 0.1133896), wk = 0.0028653 k( 293) = ( 0.0000000 0.5000000 0.1275633), wk = 0.0028653 k( 294) = ( 0.0000000 0.5000000 0.1417370), wk = 0.0028653 k( 295) = ( 0.0000000 0.5000000 0.1559107), wk = 0.0028653 k( 296) = ( 0.0000000 0.5000000 0.1700844), wk = 0.0028653 k( 297) = ( 0.0000000 0.5000000 0.1842581), wk = 0.0028653 k( 298) = ( 0.0000000 0.5000000 0.1984318), wk = 0.0028653 k( 299) = ( 0.0000000 0.5000000 0.2126055), wk = 0.0028653 k( 300) = ( 0.0000000 0.5000000 0.2267792), wk = 0.0028653 k( 301) = ( 0.0000000 0.5000000 0.2409529), wk = 0.0028653 k( 302) = ( 0.0000000 0.5000000 0.2551266), wk = 0.0028653 k( 303) = ( 0.0000000 0.5000000 0.2693003), wk = 0.0028653 k( 304) = ( 0.0000000 0.5000000 0.2834740), wk = 0.0028653 k( 305) = ( 0.0000000 0.5000000 0.2976477), wk = 0.0028653 k( 306) = ( 0.0000000 0.5000000 0.3118214), wk = 0.0028653 k( 307) = ( 0.0000000 0.5000000 0.3259951), wk = 0.0028653 k( 308) = ( 0.0000000 0.5000000 0.3401688), wk = 0.0028653 k( 309) = ( 0.0000000 0.5000000 0.3543425), wk = 0.0028653 k( 310) = ( 0.0000000 0.5000000 0.3685162), wk = 0.0028653 k( 311) = ( 0.0000000 0.5000000 0.3826899), wk = 0.0028653 k( 312) = ( 0.0000000 0.5000000 0.3968636), wk = 0.0028653 k( 313) = ( 0.0000000 0.5000000 0.4110373), wk = 0.0028653 k( 314) = ( 0.0000000 0.5000000 0.4252110), wk = 0.0028653 k( 315) = ( 0.0000000 0.5000000 0.4393847), wk = 0.0028653 k( 316) = ( 0.0000000 0.5000000 0.4535584), wk = 0.0028653 k( 317) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028653 k( 318) = ( 0.5000000 0.5000000 0.0141737), wk = 0.0028653 k( 319) = ( 0.5000000 0.5000000 0.0283474), wk = 0.0028653 k( 320) = ( 0.5000000 0.5000000 0.0425211), wk = 0.0028653 k( 321) = ( 0.5000000 0.5000000 0.0566948), wk = 0.0028653 k( 322) = ( 0.5000000 0.5000000 0.0708685), wk = 0.0028653 k( 323) = ( 0.5000000 0.5000000 0.0850422), wk = 0.0028653 k( 324) = ( 0.5000000 0.5000000 0.0992159), wk = 0.0028653 k( 325) = ( 0.5000000 0.5000000 0.1133896), wk = 0.0028653 k( 326) = ( 0.5000000 0.5000000 0.1275633), wk = 0.0028653 k( 327) = ( 0.5000000 0.5000000 0.1417370), wk = 0.0028653 k( 328) = ( 0.5000000 0.5000000 0.1559107), wk = 0.0028653 k( 329) = ( 0.5000000 0.5000000 0.1700844), wk = 0.0028653 k( 330) = ( 0.5000000 0.5000000 0.1842581), wk = 0.0028653 k( 331) = ( 0.5000000 0.5000000 0.1984318), wk = 0.0028653 k( 332) = ( 0.5000000 0.5000000 0.2126055), wk = 0.0028653 k( 333) = ( 0.5000000 0.5000000 0.2267792), wk = 0.0028653 k( 334) = ( 0.5000000 0.5000000 0.2409529), wk = 0.0028653 k( 335) = ( 0.5000000 0.5000000 0.2551266), wk = 0.0028653 k( 336) = ( 0.5000000 0.5000000 0.2693003), wk = 0.0028653 k( 337) = ( 0.5000000 0.5000000 0.2834740), wk = 0.0028653 k( 338) = ( 0.5000000 0.5000000 0.2976477), wk = 0.0028653 k( 339) = ( 0.5000000 0.5000000 0.3118214), wk = 0.0028653 k( 340) = ( 0.5000000 0.5000000 0.3259951), wk = 0.0028653 k( 341) = ( 0.5000000 0.5000000 0.3401688), wk = 0.0028653 k( 342) = ( 0.5000000 0.5000000 0.3543425), wk = 0.0028653 k( 343) = ( 0.5000000 0.5000000 0.3685162), wk = 0.0028653 k( 344) = ( 0.5000000 0.5000000 0.3826899), wk = 0.0028653 k( 345) = ( 0.5000000 0.5000000 0.3968636), wk = 0.0028653 k( 346) = ( 0.5000000 0.5000000 0.4110373), wk = 0.0028653 k( 347) = ( 0.5000000 0.5000000 0.4252110), wk = 0.0028653 k( 348) = ( 0.5000000 0.5000000 0.4393847), wk = 0.0028653 k( 349) = ( 0.5000000 0.5000000 0.4535584), wk = 0.0028653 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0028653 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0028653 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0028653 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0028653 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0028653 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0028653 k( 8) = ( 0.0000000 0.0972222 0.0000000), wk = 0.0028653 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0028653 k( 10) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0028653 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0028653 k( 12) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0028653 k( 13) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0028653 k( 14) = ( 0.0000000 0.1805556 0.0000000), wk = 0.0028653 k( 15) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0028653 k( 16) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0028653 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0028653 k( 18) = ( 0.0000000 0.2361111 0.0000000), wk = 0.0028653 k( 19) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0028653 k( 20) = ( 0.0000000 0.2638889 0.0000000), wk = 0.0028653 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0028653 k( 22) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0028653 k( 23) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0028653 k( 24) = ( 0.0000000 0.3194444 0.0000000), wk = 0.0028653 k( 25) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0028653 k( 26) = ( 0.0000000 0.3472222 0.0000000), wk = 0.0028653 k( 27) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0028653 k( 28) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0028653 k( 29) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0028653 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0028653 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0028653 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0028653 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0028653 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0028653 k( 35) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0028653 k( 36) = ( 0.0000000 0.4861111 0.0000000), wk = 0.0028653 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028653 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028653 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0028653 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0028653 k( 41) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0028653 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0028653 k( 43) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0028653 k( 44) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0028653 k( 45) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0028653 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0028653 k( 47) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0028653 k( 48) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0028653 k( 49) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0028653 k( 50) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0028653 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0028653 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0028653 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0028653 k( 54) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0028653 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0028653 k( 56) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0028653 k( 57) = ( 0.2638889 0.5000000 0.0000000), wk = 0.0028653 k( 58) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0028653 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0028653 k( 60) = ( 0.3055556 0.5000000 0.0000000), wk = 0.0028653 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0028653 k( 62) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0028653 k( 63) = ( 0.3472222 0.5000000 0.0000000), wk = 0.0028653 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0028653 k( 65) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0028653 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0028653 k( 67) = ( 0.4027778 0.5000000 0.0000000), wk = 0.0028653 k( 68) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0028653 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0028653 k( 70) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0028653 k( 71) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0028653 k( 72) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0028653 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0028653 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028653 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028653 k( 76) = ( 0.4900000 0.4900000 0.0000000), wk = 0.0028653 k( 77) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0028653 k( 78) = ( 0.4700000 0.4700000 0.0000000), wk = 0.0028653 k( 79) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0028653 k( 80) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0028653 k( 81) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0028653 k( 82) = ( 0.4300000 0.4300000 0.0000000), wk = 0.0028653 k( 83) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0028653 k( 84) = ( 0.4100000 0.4100000 0.0000000), wk = 0.0028653 k( 85) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0028653 k( 86) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0028653 k( 87) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0028653 k( 88) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0028653 k( 89) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0028653 k( 90) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0028653 k( 91) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0028653 k( 92) = ( 0.3300000 0.3300000 0.0000000), wk = 0.0028653 k( 93) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0028653 k( 94) = ( 0.3100000 0.3100000 0.0000000), wk = 0.0028653 k( 95) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0028653 k( 96) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0028653 k( 97) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0028653 k( 98) = ( 0.2700000 0.2700000 0.0000000), wk = 0.0028653 k( 99) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0028653 k( 100) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028653 k( 101) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0028653 k( 102) = ( 0.2300000 0.2300000 0.0000000), wk = 0.0028653 k( 103) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0028653 k( 104) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0028653 k( 105) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0028653 k( 106) = ( 0.1900000 0.1900000 0.0000000), wk = 0.0028653 k( 107) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0028653 k( 108) = ( 0.1700000 0.1700000 0.0000000), wk = 0.0028653 k( 109) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0028653 k( 110) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0028653 k( 111) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0028653 k( 112) = ( 0.1300000 0.1300000 0.0000000), wk = 0.0028653 k( 113) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0028653 k( 114) = ( 0.1100000 0.1100000 0.0000000), wk = 0.0028653 k( 115) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0028653 k( 116) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0028653 k( 117) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0028653 k( 118) = ( 0.0700000 0.0700000 0.0000000), wk = 0.0028653 k( 119) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0028653 k( 120) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0028653 k( 121) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0028653 k( 122) = ( 0.0300000 0.0300000 -0.0000000), wk = 0.0028653 k( 123) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0028653 k( 124) = ( 0.0100000 0.0100000 0.0000000), wk = 0.0028653 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 127) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0028653 k( 128) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0028653 k( 129) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0028653 k( 130) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0028653 k( 131) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0028653 k( 132) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0028653 k( 133) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0028653 k( 134) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0028653 k( 135) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0028653 k( 136) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0028653 k( 137) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0028653 k( 138) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0028653 k( 139) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0028653 k( 140) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0028653 k( 141) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0028653 k( 142) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028653 k( 143) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0028653 k( 144) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0028653 k( 145) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0028653 k( 146) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0028653 k( 147) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0028653 k( 148) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0028653 k( 149) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0028653 k( 150) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0028653 k( 151) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0028653 k( 152) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0028653 k( 153) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0028653 k( 154) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0028653 k( 155) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0028653 k( 156) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0028653 k( 157) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0028653 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 k( 160) = ( 0.0000000 0.0138889 0.5000000), wk = 0.0028653 k( 161) = ( 0.0000000 0.0277778 0.5000000), wk = 0.0028653 k( 162) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0028653 k( 163) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0028653 k( 164) = ( 0.0000000 0.0694444 0.5000000), wk = 0.0028653 k( 165) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0028653 k( 166) = ( 0.0000000 0.0972222 0.5000000), wk = 0.0028653 k( 167) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0028653 k( 168) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0028653 k( 169) = ( 0.0000000 0.1388889 0.5000000), wk = 0.0028653 k( 170) = ( 0.0000000 0.1527778 0.5000000), wk = 0.0028653 k( 171) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0028653 k( 172) = ( 0.0000000 0.1805556 0.5000000), wk = 0.0028653 k( 173) = ( 0.0000000 0.1944444 0.5000000), wk = 0.0028653 k( 174) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0028653 k( 175) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0028653 k( 176) = ( 0.0000000 0.2361111 0.5000000), wk = 0.0028653 k( 177) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0028653 k( 178) = ( 0.0000000 0.2638889 0.5000000), wk = 0.0028653 k( 179) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0028653 k( 180) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0028653 k( 181) = ( 0.0000000 0.3055556 0.5000000), wk = 0.0028653 k( 182) = ( 0.0000000 0.3194444 0.5000000), wk = 0.0028653 k( 183) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0028653 k( 184) = ( 0.0000000 0.3472222 0.5000000), wk = 0.0028653 k( 185) = ( 0.0000000 0.3611111 0.5000000), wk = 0.0028653 k( 186) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0028653 k( 187) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0028653 k( 188) = ( 0.0000000 0.4027778 0.5000000), wk = 0.0028653 k( 189) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0028653 k( 190) = ( 0.0000000 0.4305556 0.5000000), wk = 0.0028653 k( 191) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0028653 k( 192) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0028653 k( 193) = ( 0.0000000 0.4722222 0.5000000), wk = 0.0028653 k( 194) = ( 0.0000000 0.4861111 0.5000000), wk = 0.0028653 k( 195) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028653 k( 196) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028653 k( 197) = ( 0.0138889 0.5000000 0.5000000), wk = 0.0028653 k( 198) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0028653 k( 199) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0028653 k( 200) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0028653 k( 201) = ( 0.0694444 0.5000000 0.5000000), wk = 0.0028653 k( 202) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0028653 k( 203) = ( 0.0972222 0.5000000 0.5000000), wk = 0.0028653 k( 204) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0028653 k( 205) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0028653 k( 206) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0028653 k( 207) = ( 0.1527778 0.5000000 0.5000000), wk = 0.0028653 k( 208) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0028653 k( 209) = ( 0.1805556 0.5000000 0.5000000), wk = 0.0028653 k( 210) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0028653 k( 211) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0028653 k( 212) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0028653 k( 213) = ( 0.2361111 0.5000000 0.5000000), wk = 0.0028653 k( 214) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0028653 k( 215) = ( 0.2638889 0.5000000 0.5000000), wk = 0.0028653 k( 216) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0028653 k( 217) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0028653 k( 218) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0028653 k( 219) = ( 0.3194444 0.5000000 0.5000000), wk = 0.0028653 k( 220) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0028653 k( 221) = ( 0.3472222 0.5000000 0.5000000), wk = 0.0028653 k( 222) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0028653 k( 223) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0028653 k( 224) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0028653 k( 225) = ( 0.4027778 0.5000000 0.5000000), wk = 0.0028653 k( 226) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0028653 k( 227) = ( 0.4305556 0.5000000 0.5000000), wk = 0.0028653 k( 228) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0028653 k( 229) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0028653 k( 230) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0028653 k( 231) = ( 0.4861111 0.5000000 0.5000000), wk = 0.0028653 k( 232) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028653 k( 233) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028653 k( 234) = ( 0.4900000 0.4900000 0.5000000), wk = 0.0028653 k( 235) = ( 0.4800000 0.4800000 0.5000000), wk = 0.0028653 k( 236) = ( 0.4700000 0.4700000 0.5000000), wk = 0.0028653 k( 237) = ( 0.4600000 0.4600000 0.5000000), wk = 0.0028653 k( 238) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0028653 k( 239) = ( 0.4400000 0.4400000 0.5000000), wk = 0.0028653 k( 240) = ( 0.4300000 0.4300000 0.5000000), wk = 0.0028653 k( 241) = ( 0.4200000 0.4200000 0.5000000), wk = 0.0028653 k( 242) = ( 0.4100000 0.4100000 0.5000000), wk = 0.0028653 k( 243) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0028653 k( 244) = ( 0.3900000 0.3900000 0.5000000), wk = 0.0028653 k( 245) = ( 0.3800000 0.3800000 0.5000000), wk = 0.0028653 k( 246) = ( 0.3700000 0.3700000 0.5000000), wk = 0.0028653 k( 247) = ( 0.3600000 0.3600000 0.5000000), wk = 0.0028653 k( 248) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0028653 k( 249) = ( 0.3400000 0.3400000 0.5000000), wk = 0.0028653 k( 250) = ( 0.3300000 0.3300000 0.5000000), wk = 0.0028653 k( 251) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0028653 k( 252) = ( 0.3100000 0.3100000 0.5000000), wk = 0.0028653 k( 253) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0028653 k( 254) = ( 0.2900000 0.2900000 0.5000000), wk = 0.0028653 k( 255) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0028653 k( 256) = ( 0.2700000 0.2700000 0.5000000), wk = 0.0028653 k( 257) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0028653 k( 258) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028653 k( 259) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0028653 k( 260) = ( 0.2300000 0.2300000 0.5000000), wk = 0.0028653 k( 261) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0028653 k( 262) = ( 0.2100000 0.2100000 0.5000000), wk = 0.0028653 k( 263) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0028653 k( 264) = ( 0.1900000 0.1900000 0.5000000), wk = 0.0028653 k( 265) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0028653 k( 266) = ( 0.1700000 0.1700000 0.5000000), wk = 0.0028653 k( 267) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0028653 k( 268) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0028653 k( 269) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0028653 k( 270) = ( 0.1300000 0.1300000 0.5000000), wk = 0.0028653 k( 271) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0028653 k( 272) = ( 0.1100000 0.1100000 0.5000000), wk = 0.0028653 k( 273) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0028653 k( 274) = ( 0.0900000 0.0900000 0.5000000), wk = 0.0028653 k( 275) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0028653 k( 276) = ( 0.0700000 0.0700000 0.5000000), wk = 0.0028653 k( 277) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0028653 k( 278) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0028653 k( 279) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0028653 k( 280) = ( 0.0300000 0.0300000 0.5000000), wk = 0.0028653 k( 281) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0028653 k( 282) = ( 0.0100000 0.0100000 0.5000000), wk = 0.0028653 k( 283) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 k( 284) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028653 k( 285) = ( 0.0000000 0.5000000 0.0156250), wk = 0.0028653 k( 286) = ( 0.0000000 0.5000000 0.0312500), wk = 0.0028653 k( 287) = ( 0.0000000 0.5000000 0.0468750), wk = 0.0028653 k( 288) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0028653 k( 289) = ( 0.0000000 0.5000000 0.0781250), wk = 0.0028653 k( 290) = ( 0.0000000 0.5000000 0.0937500), wk = 0.0028653 k( 291) = ( 0.0000000 0.5000000 0.1093750), wk = 0.0028653 k( 292) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0028653 k( 293) = ( 0.0000000 0.5000000 0.1406250), wk = 0.0028653 k( 294) = ( 0.0000000 0.5000000 0.1562500), wk = 0.0028653 k( 295) = ( 0.0000000 0.5000000 0.1718750), wk = 0.0028653 k( 296) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0028653 k( 297) = ( 0.0000000 0.5000000 0.2031250), wk = 0.0028653 k( 298) = ( 0.0000000 0.5000000 0.2187500), wk = 0.0028653 k( 299) = ( 0.0000000 0.5000000 0.2343750), wk = 0.0028653 k( 300) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0028653 k( 301) = ( 0.0000000 0.5000000 0.2656250), wk = 0.0028653 k( 302) = ( 0.0000000 0.5000000 0.2812500), wk = 0.0028653 k( 303) = ( 0.0000000 0.5000000 0.2968750), wk = 0.0028653 k( 304) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0028653 k( 305) = ( 0.0000000 0.5000000 0.3281250), wk = 0.0028653 k( 306) = ( 0.0000000 0.5000000 0.3437500), wk = 0.0028653 k( 307) = ( 0.0000000 0.5000000 0.3593750), wk = 0.0028653 k( 308) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0028653 k( 309) = ( 0.0000000 0.5000000 0.3906250), wk = 0.0028653 k( 310) = ( 0.0000000 0.5000000 0.4062500), wk = 0.0028653 k( 311) = ( 0.0000000 0.5000000 0.4218750), wk = 0.0028653 k( 312) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0028653 k( 313) = ( 0.0000000 0.5000000 0.4531250), wk = 0.0028653 k( 314) = ( 0.0000000 0.5000000 0.4687500), wk = 0.0028653 k( 315) = ( 0.0000000 0.5000000 0.4843750), wk = 0.0028653 k( 316) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028653 k( 317) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028653 k( 318) = ( 0.5000000 0.5000000 0.0156250), wk = 0.0028653 k( 319) = ( 0.5000000 0.5000000 0.0312500), wk = 0.0028653 k( 320) = ( 0.5000000 0.5000000 0.0468750), wk = 0.0028653 k( 321) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0028653 k( 322) = ( 0.5000000 0.5000000 0.0781250), wk = 0.0028653 k( 323) = ( 0.5000000 0.5000000 0.0937500), wk = 0.0028653 k( 324) = ( 0.5000000 0.5000000 0.1093750), wk = 0.0028653 k( 325) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0028653 k( 326) = ( 0.5000000 0.5000000 0.1406250), wk = 0.0028653 k( 327) = ( 0.5000000 0.5000000 0.1562500), wk = 0.0028653 k( 328) = ( 0.5000000 0.5000000 0.1718750), wk = 0.0028653 k( 329) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0028653 k( 330) = ( 0.5000000 0.5000000 0.2031250), wk = 0.0028653 k( 331) = ( 0.5000000 0.5000000 0.2187500), wk = 0.0028653 k( 332) = ( 0.5000000 0.5000000 0.2343750), wk = 0.0028653 k( 333) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0028653 k( 334) = ( 0.5000000 0.5000000 0.2656250), wk = 0.0028653 k( 335) = ( 0.5000000 0.5000000 0.2812500), wk = 0.0028653 k( 336) = ( 0.5000000 0.5000000 0.2968750), wk = 0.0028653 k( 337) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0028653 k( 338) = ( 0.5000000 0.5000000 0.3281250), wk = 0.0028653 k( 339) = ( 0.5000000 0.5000000 0.3437500), wk = 0.0028653 k( 340) = ( 0.5000000 0.5000000 0.3593750), wk = 0.0028653 k( 341) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0028653 k( 342) = ( 0.5000000 0.5000000 0.3906250), wk = 0.0028653 k( 343) = ( 0.5000000 0.5000000 0.4062500), wk = 0.0028653 k( 344) = ( 0.5000000 0.5000000 0.4218750), wk = 0.0028653 k( 345) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0028653 k( 346) = ( 0.5000000 0.5000000 0.4531250), wk = 0.0028653 k( 347) = ( 0.5000000 0.5000000 0.4687500), wk = 0.0028653 k( 348) = ( 0.5000000 0.5000000 0.4843750), wk = 0.0028653 k( 349) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028653 Dense grid: 66073 G-vectors FFT dimensions: ( 50, 50, 54) Smooth grid: 27769 G-vectors FFT dimensions: ( 40, 40, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 216, 36) NL pseudopotentials 0.16 Mb ( 108, 96) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1838) G-vector shells 0.01 Mb ( 870) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.47 Mb ( 216, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.11 Mb ( 96, 2, 36) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./RbCuC2.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.4 secs Computing kpt #: 6 total cpu time spent up to now is 4.7 secs Computing kpt #: 7 total cpu time spent up to now is 4.9 secs Computing kpt #: 8 total cpu time spent up to now is 5.1 secs Computing kpt #: 9 total cpu time spent up to now is 5.4 secs Computing kpt #: 10 total cpu time spent up to now is 5.6 secs Computing kpt #: 11 total cpu time spent up to now is 5.8 secs Computing kpt #: 12 total cpu time spent up to now is 6.0 secs Computing kpt #: 13 total cpu time spent up to now is 6.3 secs Computing kpt #: 14 total cpu time spent up to now is 6.5 secs Computing kpt #: 15 total cpu time spent up to now is 6.7 secs Computing kpt #: 16 total cpu time spent up to now is 7.0 secs Computing kpt #: 17 total cpu time spent up to now is 7.2 secs Computing kpt #: 18 total cpu time spent up to now is 7.4 secs Computing kpt #: 19 total cpu time spent up to now is 7.7 secs Computing kpt #: 20 total cpu time spent up to now is 7.9 secs Computing kpt #: 21 total cpu time spent up to now is 8.1 secs Computing kpt #: 22 total cpu time spent up to now is 8.3 secs Computing kpt #: 23 total cpu time spent up to now is 8.6 secs Computing kpt #: 24 total cpu time spent up to now is 8.8 secs Computing kpt #: 25 total cpu time spent up to now is 9.1 secs Computing kpt #: 26 total cpu time spent up to now is 9.3 secs Computing kpt #: 27 total cpu time spent up to now is 9.5 secs Computing kpt #: 28 total cpu time spent up to now is 9.8 secs Computing kpt #: 29 total cpu time spent up to now is 10.0 secs Computing kpt #: 30 total cpu time spent up to now is 10.3 secs Computing kpt #: 31 total cpu time spent up to now is 10.5 secs Computing kpt #: 32 total cpu time spent up to now is 10.8 secs Computing kpt #: 33 total cpu time spent up to now is 11.0 secs Computing kpt #: 34 total cpu time spent up to now is 11.3 secs Computing kpt #: 35 total cpu time spent up to now is 11.5 secs Computing kpt #: 36 total cpu time spent up to now is 11.7 secs Computing kpt #: 37 total cpu time spent up to now is 12.0 secs Computing kpt #: 38 total cpu time spent up to now is 12.2 secs Computing kpt #: 39 total cpu time spent up to now is 12.4 secs Computing kpt #: 40 total cpu time spent up to now is 12.6 secs Computing kpt #: 41 total cpu time spent up to now is 12.8 secs Computing kpt #: 42 total cpu time spent up to now is 13.1 secs Computing kpt #: 43 total cpu time spent up to now is 13.3 secs Computing kpt #: 44 total cpu time spent up to now is 13.5 secs Computing kpt #: 45 total cpu time spent up to now is 13.7 secs Computing kpt #: 46 total cpu time spent up to now is 14.0 secs Computing kpt #: 47 total cpu time spent up to now is 14.2 secs Computing kpt #: 48 total cpu time spent up to now is 14.4 secs Computing kpt #: 49 total cpu time spent up to now is 14.6 secs Computing kpt #: 50 total cpu time spent up to now is 14.8 secs Computing kpt #: 51 total cpu time spent up to now is 15.1 secs Computing kpt #: 52 total cpu time spent up to now is 15.3 secs Computing kpt #: 53 total cpu time spent up to now is 15.5 secs Computing kpt #: 54 total cpu time spent up to now is 15.7 secs Computing kpt #: 55 total cpu time spent up to now is 15.9 secs Computing kpt #: 56 total cpu time spent up to now is 16.1 secs Computing kpt #: 57 total cpu time spent up to now is 16.3 secs Computing kpt #: 58 total cpu time spent up to now is 16.6 secs Computing kpt #: 59 total cpu time spent up to now is 16.8 secs Computing kpt #: 60 total cpu time spent up to now is 17.0 secs Computing kpt #: 61 total cpu time spent up to now is 17.2 secs Computing kpt #: 62 total cpu time spent up to now is 17.4 secs Computing kpt #: 63 total cpu time spent up to now is 17.6 secs Computing kpt #: 64 total cpu time spent up to now is 17.8 secs Computing kpt #: 65 total cpu time spent up to now is 18.1 secs Computing kpt #: 66 total cpu time spent up to now is 18.3 secs Computing kpt #: 67 total cpu time spent up to now is 18.5 secs Computing kpt #: 68 total cpu time spent up to now is 18.7 secs Computing kpt #: 69 total cpu time spent up to now is 19.0 secs Computing kpt #: 70 total cpu time spent up to now is 19.2 secs Computing kpt #: 71 total cpu time spent up to now is 19.5 secs Computing kpt #: 72 total cpu time spent up to now is 19.7 secs Computing kpt #: 73 total cpu time spent up to now is 20.0 secs Computing kpt #: 74 total cpu time spent up to now is 20.3 secs Computing kpt #: 75 total cpu time spent up to now is 20.6 secs Computing kpt #: 76 total cpu time spent up to now is 20.8 secs Computing kpt #: 77 total cpu time spent up to now is 21.1 secs Computing kpt #: 78 total cpu time spent up to now is 21.3 secs Computing kpt #: 79 total cpu time spent up to now is 21.6 secs Computing kpt #: 80 total cpu time spent up to now is 21.8 secs Computing kpt #: 81 total cpu time spent up to now is 22.0 secs Computing kpt #: 82 total cpu time spent up to now is 22.3 secs Computing kpt #: 83 total cpu time spent up to now is 22.5 secs Computing kpt #: 84 total cpu time spent up to now is 22.7 secs Computing kpt #: 85 total cpu time spent up to now is 22.9 secs Computing kpt #: 86 total cpu time spent up to now is 23.2 secs Computing kpt #: 87 total cpu time spent up to now is 23.4 secs Computing kpt #: 88 total cpu time spent up to now is 23.6 secs Computing kpt #: 89 total cpu time spent up to now is 23.8 secs Computing kpt #: 90 total cpu time spent up to now is 24.0 secs Computing kpt #: 91 total cpu time spent up to now is 24.2 secs Computing kpt #: 92 total cpu time spent up to now is 24.4 secs Computing kpt #: 93 total cpu time spent up to now is 24.7 secs Computing kpt #: 94 total cpu time spent up to now is 24.9 secs Computing kpt #: 95 total cpu time spent up to now is 25.1 secs Computing kpt #: 96 total cpu time spent up to now is 25.3 secs Computing kpt #: 97 total cpu time spent up to now is 25.5 secs Computing kpt #: 98 total cpu time spent up to now is 25.8 secs Computing kpt #: 99 total cpu time spent up to now is 26.0 secs Computing kpt #: 100 total cpu time spent up to now is 26.2 secs Computing kpt #: 101 total cpu time spent up to now is 26.4 secs Computing kpt #: 102 total cpu time spent up to now is 26.6 secs Computing kpt #: 103 total cpu time spent up to now is 26.9 secs Computing kpt #: 104 total cpu time spent up to now is 27.1 secs Computing kpt #: 105 total cpu time spent up to now is 27.3 secs Computing kpt #: 106 total cpu time spent up to now is 27.5 secs Computing kpt #: 107 total cpu time spent up to now is 27.8 secs Computing kpt #: 108 total cpu time spent up to now is 28.0 secs Computing kpt #: 109 total cpu time spent up to now is 28.2 secs Computing kpt #: 110 total cpu time spent up to now is 28.4 secs Computing kpt #: 111 total cpu time spent up to now is 28.7 secs Computing kpt #: 112 total cpu time spent up to now is 28.9 secs Computing kpt #: 113 total cpu time spent up to now is 29.1 secs Computing kpt #: 114 total cpu time spent up to now is 29.3 secs Computing kpt #: 115 total cpu time spent up to now is 29.6 secs Computing kpt #: 116 total cpu time spent up to now is 29.8 secs Computing kpt #: 117 total cpu time spent up to now is 30.0 secs Computing kpt #: 118 total cpu time spent up to now is 30.3 secs Computing kpt #: 119 total cpu time spent up to now is 30.5 secs Computing kpt #: 120 total cpu time spent up to now is 30.7 secs Computing kpt #: 121 total cpu time spent up to now is 31.0 secs Computing kpt #: 122 total cpu time spent up to now is 31.2 secs Computing kpt #: 123 total cpu time spent up to now is 31.4 secs Computing kpt #: 124 total cpu time spent up to now is 31.7 secs Computing kpt #: 125 total cpu time spent up to now is 31.9 secs Computing kpt #: 126 total cpu time spent up to now is 32.1 secs Computing kpt #: 127 total cpu time spent up to now is 32.4 secs Computing kpt #: 128 total cpu time spent up to now is 32.6 secs Computing kpt #: 129 total cpu time spent up to now is 32.8 secs Computing kpt #: 130 total cpu time spent up to now is 33.1 secs Computing kpt #: 131 total cpu time spent up to now is 33.3 secs Computing kpt #: 132 total cpu time spent up to now is 33.5 secs Computing kpt #: 133 total cpu time spent up to now is 33.7 secs Computing kpt #: 134 total cpu time spent up to now is 34.0 secs Computing kpt #: 135 total cpu time spent up to now is 34.2 secs Computing kpt #: 136 total cpu time spent up to now is 34.4 secs Computing kpt #: 137 total cpu time spent up to now is 34.6 secs Computing kpt #: 138 total cpu time spent up to now is 34.9 secs Computing kpt #: 139 total cpu time spent up to now is 35.1 secs Computing kpt #: 140 total cpu time spent up to now is 35.3 secs Computing kpt #: 141 total cpu time spent up to now is 35.6 secs Computing kpt #: 142 total cpu time spent up to now is 35.8 secs Computing kpt #: 143 total cpu time spent up to now is 36.1 secs Computing kpt #: 144 total cpu time spent up to now is 36.3 secs Computing kpt #: 145 total cpu time spent up to now is 36.6 secs Computing kpt #: 146 total cpu time spent up to now is 36.9 secs Computing kpt #: 147 total cpu time spent up to now is 37.1 secs Computing kpt #: 148 total cpu time spent up to now is 37.4 secs Computing kpt #: 149 total cpu time spent up to now is 37.7 secs Computing kpt #: 150 total cpu time spent up to now is 37.9 secs Computing kpt #: 151 total cpu time spent up to now is 38.2 secs Computing kpt #: 152 total cpu time spent up to now is 38.5 secs Computing kpt #: 153 total cpu time spent up to now is 38.7 secs Computing kpt #: 154 total cpu time spent up to now is 39.0 secs Computing kpt #: 155 total cpu time spent up to now is 39.3 secs Computing kpt #: 156 total cpu time spent up to now is 39.6 secs Computing kpt #: 157 total cpu time spent up to now is 39.8 secs Computing kpt #: 158 total cpu time spent up to now is 40.1 secs Computing kpt #: 159 total cpu time spent up to now is 40.4 secs Computing kpt #: 160 total cpu time spent up to now is 40.7 secs Computing kpt #: 161 total cpu time spent up to now is 41.0 secs Computing kpt #: 162 total cpu time spent up to now is 41.3 secs Computing kpt #: 163 total cpu time spent up to now is 41.6 secs Computing kpt #: 164 total cpu time spent up to now is 41.8 secs Computing kpt #: 165 total cpu time spent up to now is 42.1 secs Computing kpt #: 166 total cpu time spent up to now is 42.4 secs Computing kpt #: 167 total cpu time spent up to now is 42.7 secs Computing kpt #: 168 total cpu time spent up to now is 43.0 secs Computing kpt #: 169 total cpu time spent up to now is 43.3 secs Computing kpt #: 170 total cpu time spent up to now is 43.6 secs Computing kpt #: 171 total cpu time spent up to now is 43.8 secs Computing kpt #: 172 total cpu time spent up to now is 44.1 secs Computing kpt #: 173 total cpu time spent up to now is 44.4 secs Computing kpt #: 174 total cpu time spent up to now is 44.7 secs Computing kpt #: 175 total cpu time spent up to now is 45.0 secs Computing kpt #: 176 total cpu time spent up to now is 45.3 secs Computing kpt #: 177 total cpu time spent up to now is 45.6 secs Computing kpt #: 178 total cpu time spent up to now is 45.9 secs Computing kpt #: 179 total cpu time spent up to now is 46.2 secs Computing kpt #: 180 total cpu time spent up to now is 46.5 secs Computing kpt #: 181 total cpu time spent up to now is 46.8 secs Computing kpt #: 182 total cpu time spent up to now is 47.0 secs Computing kpt #: 183 total cpu time spent up to now is 47.3 secs Computing kpt #: 184 total cpu time spent up to now is 47.6 secs Computing kpt #: 185 total cpu time spent up to now is 47.9 secs Computing kpt #: 186 total cpu time spent up to now is 48.2 secs Computing kpt #: 187 total cpu time spent up to now is 48.5 secs Computing kpt #: 188 total cpu time spent up to now is 48.8 secs Computing kpt #: 189 total cpu time spent up to now is 49.1 secs Computing kpt #: 190 total cpu time spent up to now is 49.4 secs Computing kpt #: 191 total cpu time spent up to now is 49.7 secs Computing kpt #: 192 total cpu time spent up to now is 50.1 secs Computing kpt #: 193 total cpu time spent up to now is 50.4 secs Computing kpt #: 194 total cpu time spent up to now is 50.7 secs Computing kpt #: 195 total cpu time spent up to now is 51.0 secs Computing kpt #: 196 total cpu time spent up to now is 51.4 secs Computing kpt #: 197 total cpu time spent up to now is 51.7 secs Computing kpt #: 198 total cpu time spent up to now is 52.1 secs Computing kpt #: 199 total cpu time spent up to now is 52.4 secs Computing kpt #: 200 total cpu time spent up to now is 52.8 secs Computing kpt #: 201 total cpu time spent up to now is 53.2 secs Computing kpt #: 202 total cpu time spent up to now is 53.7 secs Computing kpt #: 203 total cpu time spent up to now is 54.1 secs Computing kpt #: 204 total cpu time spent up to now is 54.4 secs Computing kpt #: 205 total cpu time spent up to now is 54.7 secs Computing kpt #: 206 total cpu time spent up to now is 55.0 secs Computing kpt #: 207 total cpu time spent up to now is 55.3 secs Computing kpt #: 208 total cpu time spent up to now is 55.5 secs Computing kpt #: 209 total cpu time spent up to now is 55.8 secs Computing kpt #: 210 total cpu time spent up to now is 56.0 secs Computing kpt #: 211 total cpu time spent up to now is 56.2 secs Computing kpt #: 212 total cpu time spent up to now is 56.4 secs Computing kpt #: 213 total cpu time spent up to now is 56.7 secs Computing kpt #: 214 total cpu time spent up to now is 56.9 secs Computing kpt #: 215 total cpu time spent up to now is 57.1 secs Computing kpt #: 216 total cpu time spent up to now is 57.3 secs Computing kpt #: 217 total cpu time spent up to now is 57.6 secs Computing kpt #: 218 total cpu time spent up to now is 57.8 secs Computing kpt #: 219 total cpu time spent up to now is 58.0 secs Computing kpt #: 220 total cpu time spent up to now is 58.3 secs Computing kpt #: 221 total cpu time spent up to now is 58.5 secs Computing kpt #: 222 total cpu time spent up to now is 58.7 secs Computing kpt #: 223 total cpu time spent up to now is 59.0 secs Computing kpt #: 224 total cpu time spent up to now is 59.2 secs Computing kpt #: 225 total cpu time spent up to now is 59.4 secs Computing kpt #: 226 total cpu time spent up to now is 59.6 secs Computing kpt #: 227 total cpu time spent up to now is 59.9 secs Computing kpt #: 228 total cpu time spent up to now is 60.1 secs Computing kpt #: 229 total cpu time spent up to now is 60.3 secs Computing kpt #: 230 total cpu time spent up to now is 60.5 secs Computing kpt #: 231 total cpu time spent up to now is 60.8 secs Computing kpt #: 232 total cpu time spent up to now is 61.0 secs Computing kpt #: 233 total cpu time spent up to now is 61.2 secs Computing kpt #: 234 total cpu time spent up to now is 61.4 secs Computing kpt #: 235 total cpu time spent up to now is 61.7 secs Computing kpt #: 236 total cpu time spent up to now is 61.9 secs Computing kpt #: 237 total cpu time spent up to now is 62.1 secs Computing kpt #: 238 total cpu time spent up to now is 62.3 secs Computing kpt #: 239 total cpu time spent up to now is 62.5 secs Computing kpt #: 240 total cpu time spent up to now is 62.8 secs Computing kpt #: 241 total cpu time spent up to now is 63.0 secs Computing kpt #: 242 total cpu time spent up to now is 63.2 secs Computing kpt #: 243 total cpu time spent up to now is 63.4 secs Computing kpt #: 244 total cpu time spent up to now is 63.7 secs Computing kpt #: 245 total cpu time spent up to now is 63.9 secs Computing kpt #: 246 total cpu time spent up to now is 64.1 secs Computing kpt #: 247 total cpu time spent up to now is 64.3 secs Computing kpt #: 248 total cpu time spent up to now is 64.6 secs Computing kpt #: 249 total cpu time spent up to now is 64.8 secs Computing kpt #: 250 total cpu time spent up to now is 65.0 secs Computing kpt #: 251 total cpu time spent up to now is 65.3 secs Computing kpt #: 252 total cpu time spent up to now is 65.6 secs Computing kpt #: 253 total cpu time spent up to now is 65.9 secs Computing kpt #: 254 total cpu time spent up to now is 66.3 secs Computing kpt #: 255 total cpu time spent up to now is 66.6 secs Computing kpt #: 256 total cpu time spent up to now is 66.9 secs Computing kpt #: 257 total cpu time spent up to now is 67.1 secs Computing kpt #: 258 total cpu time spent up to now is 67.4 secs Computing kpt #: 259 total cpu time spent up to now is 67.7 secs Computing kpt #: 260 total cpu time spent up to now is 68.0 secs Computing kpt #: 261 total cpu time spent up to now is 68.4 secs Computing kpt #: 262 total cpu time spent up to now is 68.7 secs Computing kpt #: 263 total cpu time spent up to now is 69.0 secs Computing kpt #: 264 total cpu time spent up to now is 69.3 secs Computing kpt #: 265 total cpu time spent up to now is 69.6 secs Computing kpt #: 266 total cpu time spent up to now is 69.8 secs Computing kpt #: 267 total cpu time spent up to now is 70.1 secs Computing kpt #: 268 total cpu time spent up to now is 70.4 secs Computing kpt #: 269 total cpu time spent up to now is 70.7 secs Computing kpt #: 270 total cpu time spent up to now is 71.0 secs Computing kpt #: 271 total cpu time spent up to now is 71.3 secs Computing kpt #: 272 total cpu time spent up to now is 71.6 secs Computing kpt #: 273 total cpu time spent up to now is 71.9 secs Computing kpt #: 274 total cpu time spent up to now is 72.2 secs Computing kpt #: 275 total cpu time spent up to now is 72.5 secs Computing kpt #: 276 total cpu time spent up to now is 72.8 secs Computing kpt #: 277 total cpu time spent up to now is 73.0 secs Computing kpt #: 278 total cpu time spent up to now is 73.3 secs Computing kpt #: 279 total cpu time spent up to now is 73.6 secs Computing kpt #: 280 total cpu time spent up to now is 73.9 secs Computing kpt #: 281 total cpu time spent up to now is 74.2 secs Computing kpt #: 282 total cpu time spent up to now is 74.5 secs Computing kpt #: 283 total cpu time spent up to now is 74.8 secs Computing kpt #: 284 total cpu time spent up to now is 75.0 secs Computing kpt #: 285 total cpu time spent up to now is 75.2 secs Computing kpt #: 286 total cpu time spent up to now is 75.4 secs Computing kpt #: 287 total cpu time spent up to now is 75.7 secs Computing kpt #: 288 total cpu time spent up to now is 75.9 secs Computing kpt #: 289 total cpu time spent up to now is 76.1 secs Computing kpt #: 290 total cpu time spent up to now is 76.4 secs Computing kpt #: 291 total cpu time spent up to now is 76.6 secs Computing kpt #: 292 total cpu time spent up to now is 76.8 secs Computing kpt #: 293 total cpu time spent up to now is 77.1 secs Computing kpt #: 294 total cpu time spent up to now is 77.3 secs Computing kpt #: 295 total cpu time spent up to now is 77.5 secs Computing kpt #: 296 total cpu time spent up to now is 77.8 secs Computing kpt #: 297 total cpu time spent up to now is 78.0 secs Computing kpt #: 298 total cpu time spent up to now is 78.2 secs Computing kpt #: 299 total cpu time spent up to now is 78.4 secs Computing kpt #: 300 total cpu time spent up to now is 78.7 secs Computing kpt #: 301 total cpu time spent up to now is 78.9 secs Computing kpt #: 302 total cpu time spent up to now is 79.1 secs Computing kpt #: 303 total cpu time spent up to now is 79.3 secs Computing kpt #: 304 total cpu time spent up to now is 79.6 secs Computing kpt #: 305 total cpu time spent up to now is 79.8 secs Computing kpt #: 306 total cpu time spent up to now is 80.0 secs Computing kpt #: 307 total cpu time spent up to now is 80.3 secs Computing kpt #: 308 total cpu time spent up to now is 80.5 secs Computing kpt #: 309 total cpu time spent up to now is 80.7 secs Computing kpt #: 310 total cpu time spent up to now is 81.0 secs Computing kpt #: 311 total cpu time spent up to now is 81.3 secs Computing kpt #: 312 total cpu time spent up to now is 81.5 secs Computing kpt #: 313 total cpu time spent up to now is 81.8 secs Computing kpt #: 314 total cpu time spent up to now is 82.1 secs Computing kpt #: 315 total cpu time spent up to now is 82.5 secs Computing kpt #: 316 total cpu time spent up to now is 82.8 secs Computing kpt #: 317 total cpu time spent up to now is 83.0 secs Computing kpt #: 318 total cpu time spent up to now is 83.3 secs Computing kpt #: 319 total cpu time spent up to now is 83.6 secs Computing kpt #: 320 total cpu time spent up to now is 83.8 secs Computing kpt #: 321 total cpu time spent up to now is 84.1 secs Computing kpt #: 322 total cpu time spent up to now is 84.3 secs Computing kpt #: 323 total cpu time spent up to now is 84.6 secs Computing kpt #: 324 total cpu time spent up to now is 84.8 secs Computing kpt #: 325 total cpu time spent up to now is 85.1 secs Computing kpt #: 326 total cpu time spent up to now is 85.4 secs Computing kpt #: 327 total cpu time spent up to now is 85.7 secs Computing kpt #: 328 total cpu time spent up to now is 85.9 secs Computing kpt #: 329 total cpu time spent up to now is 86.2 secs Computing kpt #: 330 total cpu time spent up to now is 86.5 secs Computing kpt #: 331 total cpu time spent up to now is 86.8 secs Computing kpt #: 332 total cpu time spent up to now is 87.1 secs Computing kpt #: 333 total cpu time spent up to now is 87.4 secs Computing kpt #: 334 total cpu time spent up to now is 87.7 secs Computing kpt #: 335 total cpu time spent up to now is 88.0 secs Computing kpt #: 336 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.9 secs Computing kpt #: 337 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.8 secs Computing kpt #: 338 total cpu time spent up to now is 90.6 secs Computing kpt #: 339 total cpu time spent up to now is 90.9 secs Computing kpt #: 340 total cpu time spent up to now is 91.1 secs Computing kpt #: 341 total cpu time spent up to now is 91.4 secs Computing kpt #: 342 total cpu time spent up to now is 91.6 secs Computing kpt #: 343 total cpu time spent up to now is 91.9 secs Computing kpt #: 344 total cpu time spent up to now is 92.1 secs Computing kpt #: 345 total cpu time spent up to now is 92.3 secs Computing kpt #: 346 total cpu time spent up to now is 92.5 secs Computing kpt #: 347 total cpu time spent up to now is 92.8 secs Computing kpt #: 348 total cpu time spent up to now is 93.0 secs Computing kpt #: 349 total cpu time spent up to now is 93.2 secs ethr = 3.57E-08, avg # of iterations = 19.7 total cpu time spent up to now is 93.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3481 PWs) bands (ev): -23.1297 -23.1297 -10.2865 -10.2865 -7.8328 -7.8328 -7.0079 -7.0079 -6.8911 -6.8911 -2.0272 -2.0272 -1.6303 -1.6303 0.9371 0.9371 0.9683 0.9683 1.0034 1.0034 1.1035 1.1035 1.3518 1.3518 1.4763 1.4763 1.6818 1.6818 7.1568 7.1568 7.8072 7.8072 8.7701 8.7701 8.7928 8.7928 k = 0.0000 0.0139-0.0000 ( 3485 PWs) bands (ev): -23.1297 -23.1297 -10.2868 -10.2868 -7.8326 -7.8326 -7.0078 -7.0078 -6.8910 -6.8910 -2.0271 -2.0271 -1.6303 -1.6303 0.9351 0.9351 0.9661 0.9661 1.0044 1.0044 1.1035 1.1035 1.3537 1.3537 1.4763 1.4763 1.6818 1.6818 7.1544 7.1544 7.8090 7.8090 8.7700 8.7700 8.7928 8.7928 k = 0.0000 0.0278-0.0000 ( 3483 PWs) bands (ev): -23.1296 -23.1296 -10.2874 -10.2874 -7.8323 -7.8323 -7.0075 -7.0075 -6.8906 -6.8906 -2.0266 -2.0266 -1.6304 -1.6304 0.9287 0.9287 0.9606 0.9606 1.0064 1.0064 1.1035 1.1035 1.3594 1.3594 1.4766 1.4766 1.6819 1.6819 7.1471 7.1471 7.8144 7.8144 8.7697 8.7697 8.7931 8.7931 k = 0.0000 0.0417-0.0000 ( 3487 PWs) bands (ev): -23.1295 -23.1295 -10.2884 -10.2884 -7.8318 -7.8318 -7.0071 -7.0071 -6.8900 -6.8900 -2.0257 -2.0257 -1.6306 -1.6306 0.9171 0.9171 0.9542 0.9542 1.0085 1.0085 1.1034 1.1034 1.3684 1.3684 1.4771 1.4771 1.6820 1.6820 7.1348 7.1348 7.8235 7.8235 8.7683 8.7683 8.7945 8.7945 k = 0.0000 0.0556-0.0000 ( 3479 PWs) bands (ev): -23.1294 -23.1294 -10.2898 -10.2898 -7.8310 -7.8310 -7.0065 -7.0065 -6.8891 -6.8891 -2.0246 -2.0246 -1.6309 -1.6309 0.9004 0.9004 0.9476 0.9476 1.0104 1.0104 1.1034 1.1034 1.3802 1.3802 1.4780 1.4780 1.6822 1.6822 7.1175 7.1175 7.8365 7.8365 8.7652 8.7652 8.7977 8.7977 k = 0.0000 0.0694-0.0000 ( 3483 PWs) bands (ev): -23.1293 -23.1293 -10.2916 -10.2916 -7.8301 -7.8301 -7.0057 -7.0057 -6.8881 -6.8881 -2.0231 -2.0231 -1.6313 -1.6313 0.8796 0.8796 0.9408 0.9408 1.0118 1.0118 1.1032 1.1032 1.3940 1.3940 1.4792 1.4792 1.6824 1.6824 7.0952 7.0952 7.8535 7.8535 8.7602 8.7602 8.8028 8.8028 k = 0.0000 0.0833-0.0000 ( 3485 PWs) bands (ev): -23.1291 -23.1291 -10.2938 -10.2938 -7.8290 -7.8290 -7.0047 -7.0047 -6.8868 -6.8868 -2.0213 -2.0213 -1.6318 -1.6318 0.8555 0.8555 0.9335 0.9335 1.0128 1.0128 1.1031 1.1031 1.4092 1.4092 1.4810 1.4810 1.6828 1.6828 7.0679 7.0679 7.8747 7.8747 8.7535 8.7535 8.8098 8.8098 k = 0.0000 0.0972-0.0000 ( 3485 PWs) bands (ev): -23.1289 -23.1289 -10.2964 -10.2964 -7.8276 -7.8276 -7.0036 -7.0036 -6.8853 -6.8853 -2.0191 -2.0191 -1.6323 -1.6323 0.8289 0.8289 0.9254 0.9254 1.0136 1.0136 1.1029 1.1029 1.4247 1.4247 1.4839 1.4839 1.6832 1.6832 7.0358 7.0358 7.9002 7.9002 8.7454 8.7454 8.8185 8.8185 k = 0.0000 0.1111-0.0000 ( 3474 PWs) bands (ev): -23.1286 -23.1286 -10.2992 -10.2992 -7.8261 -7.8261 -7.0023 -7.0023 -6.8836 -6.8836 -2.0167 -2.0167 -1.6330 -1.6330 0.8003 0.8003 0.9166 0.9166 1.0141 1.0141 1.1027 1.1027 1.4394 1.4394 1.4887 1.4887 1.6839 1.6839 6.9990 6.9990 7.9300 7.9300 8.7361 8.7361 8.8287 8.8287 k = 0.0000 0.1250-0.0000 ( 3464 PWs) bands (ev): -23.1284 -23.1284 -10.3024 -10.3024 -7.8245 -7.8245 -7.0009 -7.0009 -6.8817 -6.8817 -2.0140 -2.0140 -1.6336 -1.6336 0.7700 0.7700 0.9069 0.9069 1.0145 1.0145 1.1025 1.1025 1.4517 1.4517 1.4968 1.4968 1.6848 1.6848 6.9579 6.9579 7.9641 7.9641 8.7259 8.7259 8.8404 8.8404 k = 0.0000 0.1389-0.0000 ( 3464 PWs) bands (ev): -23.1281 -23.1281 -10.3059 -10.3059 -7.8227 -7.8227 -6.9993 -6.9993 -6.8796 -6.8796 -2.0111 -2.0111 -1.6344 -1.6344 0.7385 0.7385 0.8965 0.8965 1.0147 1.0147 1.1023 1.1023 1.4601 1.4601 1.5090 1.5090 1.6858 1.6858 6.9128 6.9128 8.0025 8.0025 8.7149 8.7149 8.8534 8.8534 k = 0.0000 0.1528-0.0000 ( 3452 PWs) bands (ev): -23.1278 -23.1278 -10.3096 -10.3096 -7.8207 -7.8207 -6.9976 -6.9976 -6.8773 -6.8773 -2.0078 -2.0078 -1.6352 -1.6352 0.7059 0.7059 0.8855 0.8855 1.0149 1.0149 1.1021 1.1021 1.4653 1.4653 1.5247 1.5247 1.6873 1.6873 6.8642 6.8642 8.0449 8.0449 8.7032 8.7032 8.8677 8.8677 k = 0.0000 0.1667-0.0000 ( 3454 PWs) bands (ev): -23.1275 -23.1275 -10.3136 -10.3136 -7.8186 -7.8186 -6.9959 -6.9959 -6.8749 -6.8749 -2.0044 -2.0044 -1.6361 -1.6361 0.6727 0.6727 0.8738 0.8738 1.0149 1.0149 1.1018 1.1018 1.4686 1.4686 1.5423 1.5423 1.6891 1.6891 6.8124 6.8124 8.0911 8.0911 8.6911 8.6911 8.8832 8.8832 k = 0.0000 0.1806-0.0000 ( 3460 PWs) bands (ev): -23.1271 -23.1271 -10.3178 -10.3178 -7.8165 -7.8165 -6.9940 -6.9940 -6.8724 -6.8724 -2.0008 -2.0008 -1.6370 -1.6370 0.6389 0.6389 0.8615 0.8615 1.0148 1.0148 1.1014 1.1014 1.4709 1.4709 1.5605 1.5605 1.6915 1.6915 6.7580 6.7580 8.1411 8.1411 8.6787 8.6787 8.8999 8.8999 k = 0.0000 0.1944-0.0000 ( 3458 PWs) bands (ev): -23.1268 -23.1268 -10.3221 -10.3221 -7.8142 -7.8142 -6.9920 -6.9920 -6.8698 -6.8698 -1.9969 -1.9969 -1.6379 -1.6379 0.6049 0.6049 0.8489 0.8489 1.0147 1.0147 1.1012 1.1012 1.4726 1.4726 1.5785 1.5785 1.6950 1.6950 6.7016 6.7016 8.1944 8.1944 8.6662 8.6662 8.9176 8.9176 k = 0.0000 0.2083-0.0000 ( 3462 PWs) bands (ev): -23.1264 -23.1264 -10.3266 -10.3266 -7.8119 -7.8119 -6.9900 -6.9900 -6.8670 -6.8670 -1.9929 -1.9929 -1.6389 -1.6389 0.5708 0.5708 0.8358 0.8358 1.0145 1.0145 1.1008 1.1008 1.4740 1.4740 1.5956 1.5956 1.6998 1.6998 6.6434 6.6434 8.2509 8.2509 8.6536 8.6536 8.9364 8.9364 k = 0.0000 0.2222-0.0000 ( 3474 PWs) bands (ev): -23.1260 -23.1260 -10.3312 -10.3312 -7.8095 -7.8095 -6.9880 -6.9880 -6.8642 -6.8642 -1.9888 -1.9888 -1.6399 -1.6399 0.5368 0.5368 0.8226 0.8226 1.0142 1.0142 1.1005 1.1005 1.4751 1.4751 1.6110 1.6110 1.7064 1.7064 6.5842 6.5842 8.3102 8.3102 8.6412 8.6412 8.9560 8.9560 k = 0.0000 0.2361-0.0000 ( 3470 PWs) bands (ev): -23.1256 -23.1256 -10.3358 -10.3358 -7.8071 -7.8071 -6.9858 -6.9858 -6.8614 -6.8614 -1.9846 -1.9846 -1.6410 -1.6410 0.5031 0.5031 0.8092 0.8092 1.0139 1.0139 1.1002 1.1002 1.4762 1.4762 1.6241 1.6241 1.7156 1.7156 6.5243 6.5243 8.3720 8.3720 8.6291 8.6291 8.9765 8.9765 k = 0.0000 0.2500-0.0000 ( 3470 PWs) bands (ev): -23.1253 -23.1253 -10.3405 -10.3405 -7.8046 -7.8046 -6.9837 -6.9837 -6.8585 -6.8585 -1.9802 -1.9802 -1.6420 -1.6420 0.4698 0.4698 0.7957 0.7957 1.0135 1.0135 1.0999 1.0999 1.4772 1.4772 1.6345 1.6345 1.7275 1.7275 6.4642 6.4642 8.4359 8.4359 8.6174 8.6174 8.9976 8.9976 k = 0.0000 0.2639-0.0000 ( 3474 PWs) bands (ev): -23.1249 -23.1249 -10.3452 -10.3452 -7.8022 -7.8022 -6.9816 -6.9816 -6.8556 -6.8556 -1.9759 -1.9759 -1.6431 -1.6431 0.4373 0.4373 0.7823 0.7823 1.0132 1.0132 1.0997 1.0997 1.4780 1.4780 1.6422 1.6422 1.7418 1.7418 6.4044 6.4044 8.5012 8.5012 8.6065 8.6065 9.0193 9.0193 k = 0.0000 0.2778-0.0000 ( 3468 PWs) bands (ev): -23.1245 -23.1245 -10.3498 -10.3498 -7.7998 -7.7998 -6.9795 -6.9795 -6.8527 -6.8527 -1.9715 -1.9715 -1.6441 -1.6441 0.4056 0.4056 0.7691 0.7691 1.0128 1.0128 1.0995 1.0995 1.4788 1.4788 1.6478 1.6478 1.7581 1.7581 6.3453 6.3453 8.5649 8.5649 8.5991 8.5991 9.0415 9.0415 k = 0.0000 0.2917-0.0000 ( 3464 PWs) bands (ev): -23.1241 -23.1241 -10.3543 -10.3543 -7.7974 -7.7974 -6.9774 -6.9774 -6.8498 -6.8498 -1.9671 -1.9671 -1.6451 -1.6451 0.3748 0.3748 0.7561 0.7561 1.0124 1.0124 1.0992 1.0992 1.4796 1.4796 1.6518 1.6518 1.7756 1.7756 6.2874 6.2874 8.5809 8.5809 8.6412 8.6412 9.0640 9.0640 k = 0.0000 0.3056-0.0000 ( 3462 PWs) bands (ev): -23.1237 -23.1237 -10.3587 -10.3587 -7.7951 -7.7951 -6.9753 -6.9753 -6.8470 -6.8470 -1.9628 -1.9628 -1.6462 -1.6462 0.3453 0.3453 0.7435 0.7435 1.0120 1.0120 1.0990 1.0990 1.4803 1.4803 1.6547 1.6547 1.7937 1.7937 6.2311 6.2311 8.5726 8.5726 8.7088 8.7088 9.0866 9.0866 k = 0.0000 0.3194-0.0000 ( 3468 PWs) bands (ev): -23.1234 -23.1234 -10.3630 -10.3630 -7.7929 -7.7929 -6.9734 -6.9734 -6.8443 -6.8443 -1.9586 -1.9586 -1.6471 -1.6471 0.3170 0.3170 0.7313 0.7313 1.0116 1.0116 1.0989 1.0989 1.4809 1.4809 1.6568 1.6568 1.8118 1.8118 6.1767 6.1767 8.5639 8.5639 8.7776 8.7776 9.1092 9.1092 k = 0.0000 0.3333-0.0000 ( 3468 PWs) bands (ev): -23.1230 -23.1230 -10.3671 -10.3671 -7.7908 -7.7908 -6.9715 -6.9715 -6.8417 -6.8417 -1.9545 -1.9545 -1.6481 -1.6481 0.2902 0.2902 0.7196 0.7196 1.0111 1.0111 1.0987 1.0987 1.4815 1.4815 1.6585 1.6585 1.8298 1.8298 6.1246 6.1246 8.5556 8.5556 8.8464 8.8464 9.1316 9.1316 k = 0.0000 0.3472-0.0000 ( 3462 PWs) bands (ev): -23.1227 -23.1227 -10.3710 -10.3710 -7.7887 -7.7887 -6.9696 -6.9696 -6.8392 -6.8392 -1.9505 -1.9505 -1.6490 -1.6490 0.2649 0.2649 0.7085 0.7085 1.0107 1.0107 1.0985 1.0985 1.4821 1.4821 1.6597 1.6597 1.8474 1.8474 6.0752 6.0752 8.5480 8.5480 8.9144 8.9144 9.1535 9.1535 k = 0.0000 0.3611-0.0000 ( 3470 PWs) bands (ev): -23.1224 -23.1224 -10.3746 -10.3746 -7.7868 -7.7868 -6.9679 -6.9679 -6.8368 -6.8368 -1.9468 -1.9468 -1.6499 -1.6499 0.2414 0.2414 0.6982 0.6982 1.0102 1.0102 1.0983 1.0983 1.4825 1.4825 1.6607 1.6607 1.8641 1.8641 6.0288 6.0288 8.5410 8.5410 8.9811 8.9811 9.1749 9.1749 k = 0.0000 0.3750-0.0000 ( 3478 PWs) bands (ev): -23.1221 -23.1221 -10.3780 -10.3780 -7.7850 -7.7850 -6.9663 -6.9663 -6.8347 -6.8347 -1.9432 -1.9432 -1.6507 -1.6507 0.2197 0.2197 0.6886 0.6886 1.0098 1.0098 1.0982 1.0982 1.4829 1.4829 1.6615 1.6615 1.8799 1.8799 5.9858 5.9858 8.5348 8.5348 9.0456 9.0456 9.1954 9.1954 k = 0.0000 0.3889-0.0000 ( 3466 PWs) bands (ev): -23.1219 -23.1219 -10.3811 -10.3811 -7.7834 -7.7834 -6.9649 -6.9649 -6.8326 -6.8326 -1.9399 -1.9399 -1.6514 -1.6514 0.2000 0.2000 0.6798 0.6798 1.0094 1.0094 1.0981 1.0981 1.4833 1.4833 1.6622 1.6622 1.8946 1.8946 5.9464 5.9464 8.5293 8.5293 9.1073 9.1073 9.2151 9.2151 k = 0.0000 0.4028-0.0000 ( 3460 PWs) bands (ev): -23.1216 -23.1216 -10.3839 -10.3839 -7.7820 -7.7820 -6.9636 -6.9636 -6.8308 -6.8308 -1.9370 -1.9370 -1.6520 -1.6520 0.1824 0.1824 0.6719 0.6719 1.0091 1.0091 1.0981 1.0981 1.4837 1.4837 1.6627 1.6627 1.9081 1.9081 5.9110 5.9110 8.5245 8.5245 9.1649 9.1649 9.2341 9.2341 k = 0.0000 0.4167-0.0000 ( 3466 PWs) bands (ev): -23.1214 -23.1214 -10.3864 -10.3864 -7.7807 -7.7807 -6.9624 -6.9624 -6.8292 -6.8292 -1.9343 -1.9343 -1.6526 -1.6526 0.1669 0.1669 0.6649 0.6649 1.0088 1.0088 1.0980 1.0980 1.4840 1.4840 1.6631 1.6631 1.9200 1.9200 5.8797 5.8797 8.5205 8.5205 9.2155 9.2155 9.2542 9.2542 k = 0.0000 0.4306-0.0000 ( 3466 PWs) bands (ev): -23.1212 -23.1212 -10.3885 -10.3885 -7.7796 -7.7796 -6.9614 -6.9614 -6.8278 -6.8278 -1.9320 -1.9320 -1.6531 -1.6531 0.1536 0.1536 0.6590 0.6590 1.0085 1.0085 1.0979 1.0979 1.4842 1.4842 1.6634 1.6634 1.9304 1.9304 5.8528 5.8528 8.5170 8.5170 9.2497 9.2497 9.2835 9.2835 k = 0.0000 0.4444-0.0000 ( 3462 PWs) bands (ev): -23.1211 -23.1211 -10.3902 -10.3902 -7.7786 -7.7786 -6.9606 -6.9606 -6.8267 -6.8267 -1.9301 -1.9301 -1.6536 -1.6536 0.1427 0.1427 0.6540 0.6540 1.0083 1.0083 1.0979 1.0979 1.4844 1.4844 1.6637 1.6637 1.9391 1.9391 5.8306 5.8306 8.5143 8.5143 9.2670 9.2670 9.3212 9.3212 k = 0.0000 0.4583-0.0000 ( 3474 PWs) bands (ev): -23.1210 -23.1210 -10.3916 -10.3916 -7.7779 -7.7779 -6.9599 -6.9599 -6.8258 -6.8258 -1.9286 -1.9286 -1.6539 -1.6539 0.1341 0.1341 0.6501 0.6501 1.0081 1.0081 1.0978 1.0978 1.4845 1.4845 1.6638 1.6638 1.9459 1.9459 5.8131 5.8131 8.5121 8.5121 9.2781 9.2781 9.3551 9.3551 k = 0.0000 0.4722-0.0000 ( 3474 PWs) bands (ev): -23.1209 -23.1209 -10.3926 -10.3926 -7.7774 -7.7774 -6.9595 -6.9595 -6.8251 -6.8251 -1.9276 -1.9276 -1.6541 -1.6541 0.1279 0.1279 0.6473 0.6473 1.0079 1.0079 1.0978 1.0978 1.4846 1.4846 1.6639 1.6639 1.9508 1.9508 5.8005 5.8005 8.5106 8.5106 9.2856 9.2856 9.3812 9.3812 k = 0.0000 0.4861-0.0000 ( 3480 PWs) bands (ev): -23.1208 -23.1208 -10.3932 -10.3932 -7.7771 -7.7771 -6.9592 -6.9592 -6.8247 -6.8247 -1.9269 -1.9269 -1.6543 -1.6543 0.1242 0.1242 0.6457 0.6457 1.0078 1.0078 1.0978 1.0978 1.4847 1.4847 1.6639 1.6639 1.9538 1.9538 5.7929 5.7929 8.5097 8.5097 9.2901 9.2901 9.3975 9.3975 k = 0.0000 0.5000-0.0000 ( 3474 PWs) bands (ev): -23.1208 -23.1208 -10.3934 -10.3934 -7.7770 -7.7770 -6.9591 -6.9591 -6.8246 -6.8246 -1.9267 -1.9267 -1.6543 -1.6543 0.1230 0.1230 0.6451 0.6451 1.0079 1.0079 1.0978 1.0978 1.4847 1.4847 1.6640 1.6640 1.9549 1.9549 5.7904 5.7904 8.5094 8.5094 9.2916 9.2916 9.4031 9.4031 k = 0.0000 0.5000-0.0000 ( 3474 PWs) bands (ev): -23.1208 -23.1208 -10.3934 -10.3934 -7.7770 -7.7770 -6.9591 -6.9591 -6.8246 -6.8246 -1.9267 -1.9267 -1.6543 -1.6543 0.1230 0.1230 0.6451 0.6451 1.0079 1.0079 1.0978 1.0978 1.4847 1.4847 1.6640 1.6640 1.9549 1.9549 5.7904 5.7904 8.5094 8.5094 9.2916 9.2916 9.4031 9.4031 k = 0.0139 0.5000-0.0000 ( 3478 PWs) bands (ev): -23.1208 -23.1208 -10.3932 -10.3932 -7.7772 -7.7772 -6.9593 -6.9593 -6.8251 -6.8251 -1.9266 -1.9266 -1.6542 -1.6542 0.1241 0.1241 0.6452 0.6452 1.0078 1.0078 1.0977 1.0977 1.4848 1.4848 1.6641 1.6641 1.9551 1.9551 5.7916 5.7916 8.5073 8.5073 9.2825 9.2825 9.3962 9.3962 k = 0.0278 0.5000-0.0000 ( 3476 PWs) bands (ev): -23.1208 -23.1208 -10.3925 -10.3925 -7.7779 -7.7779 -6.9599 -6.9599 -6.8266 -6.8266 -1.9265 -1.9265 -1.6537 -1.6537 0.1274 0.1274 0.6455 0.6455 1.0076 1.0076 1.0975 1.0975 1.4852 1.4852 1.6644 1.6644 1.9560 1.9560 5.7955 5.7955 8.5009 8.5009 9.2563 9.2563 9.3761 9.3761 k = 0.0417 0.5000-0.0000 ( 3472 PWs) bands (ev): -23.1207 -23.1207 -10.3912 -10.3912 -7.7790 -7.7790 -6.9609 -6.9609 -6.8291 -6.8291 -1.9262 -1.9262 -1.6528 -1.6528 0.1328 0.1328 0.6461 0.6461 1.0074 1.0074 1.0971 1.0971 1.4858 1.4858 1.6650 1.6650 1.9575 1.9575 5.8019 5.8019 8.4905 8.4905 9.2157 9.2157 9.3436 9.3436 k = 0.0556 0.5000-0.0000 ( 3476 PWs) bands (ev): -23.1206 -23.1206 -10.3895 -10.3895 -7.7805 -7.7805 -6.9623 -6.9623 -6.8326 -6.8326 -1.9258 -1.9258 -1.6517 -1.6517 0.1404 0.1404 0.6468 0.6468 1.0070 1.0070 1.0966 1.0966 1.4865 1.4865 1.6658 1.6658 1.9595 1.9595 5.8108 5.8108 8.4761 8.4761 9.1640 9.1640 9.3003 9.3003 k = 0.0694 0.5000-0.0000 ( 3476 PWs) bands (ev): -23.1205 -23.1205 -10.3874 -10.3874 -7.7825 -7.7825 -6.9641 -6.9641 -6.8371 -6.8371 -1.9254 -1.9254 -1.6502 -1.6502 0.1501 0.1501 0.6478 0.6478 1.0065 1.0065 1.0959 1.0959 1.4875 1.4875 1.6668 1.6668 1.9622 1.9622 5.8223 5.8223 8.4580 8.4580 9.1043 9.1043 9.2478 9.2478 k = 0.0833 0.5000-0.0000 ( 3472 PWs) bands (ev): -23.1203 -23.1203 -10.3847 -10.3847 -7.7849 -7.7849 -6.9662 -6.9662 -6.8424 -6.8424 -1.9248 -1.9248 -1.6485 -1.6485 0.1618 0.1618 0.6489 0.6489 1.0059 1.0059 1.0951 1.0951 1.4886 1.4886 1.6681 1.6681 1.9655 1.9655 5.8364 5.8364 8.4366 8.4366 9.0392 9.0392 9.1876 9.1876 k = 0.0972 0.5000-0.0000 ( 3476 PWs) bands (ev): -23.1201 -23.1201 -10.3817 -10.3817 -7.7878 -7.7878 -6.9687 -6.9687 -6.8487 -6.8487 -1.9241 -1.9241 -1.6464 -1.6464 0.1753 0.1753 0.6503 0.6503 1.0053 1.0053 1.0941 1.0941 1.4897 1.4897 1.6695 1.6695 1.9694 1.9694 5.8529 5.8529 8.4121 8.4121 8.9708 8.9708 9.1213 9.1213 k = 0.1111 0.5000-0.0000 ( 3472 PWs) bands (ev): -23.1199 -23.1199 -10.3782 -10.3782 -7.7910 -7.7910 -6.9715 -6.9715 -6.8557 -6.8557 -1.9234 -1.9234 -1.6441 -1.6441 0.1907 0.1907 0.6519 0.6519 1.0045 1.0045 1.0931 1.0931 1.4909 1.4909 1.6712 1.6712 1.9740 1.9740 5.8721 5.8721 8.3851 8.3851 8.9003 8.9003 9.0502 9.0502 k = 0.1250 0.5000-0.0000 ( 3472 PWs) bands (ev): -23.1197 -23.1197 -10.3743 -10.3743 -7.7946 -7.7946 -6.9745 -6.9745 -6.8636 -6.8636 -1.9226 -1.9226 -1.6415 -1.6415 0.2079 0.2079 0.6537 0.6537 1.0036 1.0036 1.0918 1.0918 1.4920 1.4920 1.6730 1.6730 1.9793 1.9793 5.8937 5.8937 8.3557 8.3557 8.8290 8.8290 8.9755 8.9755 k = 0.1389 0.5000-0.0000 ( 3472 PWs) bands (ev): -23.1194 -23.1194 -10.3701 -10.3701 -7.7986 -7.7986 -6.9777 -6.9777 -6.8721 -6.8721 -1.9216 -1.9216 -1.6387 -1.6387 0.2265 0.2265 0.6557 0.6557 1.0026 1.0026 1.0905 1.0905 1.4931 1.4931 1.6750 1.6750 1.9852 1.9852 5.9179 5.9179 8.3245 8.3245 8.7576 8.7576 8.8981 8.8981 k = 0.1528 0.5000-0.0000 ( 3472 PWs) bands (ev): -23.1191 -23.1191 -10.3655 -10.3655 -7.8030 -7.8030 -6.9811 -6.9811 -6.8812 -6.8812 -1.9206 -1.9206 -1.6356 -1.6356 0.2466 0.2466 0.6578 0.6578 1.0016 1.0016 1.0890 1.0890 1.4941 1.4941 1.6771 1.6771 1.9919 1.9919 5.9446 5.9446 8.2918 8.2918 8.6867 8.6867 8.8190 8.8190 k = 0.1667 0.5000-0.0000 ( 3470 PWs) bands (ev): -23.1189 -23.1189 -10.3606 -10.3606 -7.8076 -7.8076 -6.9847 -6.9847 -6.8910 -6.8910 -1.9196 -1.9196 -1.6324 -1.6324 0.2681 0.2681 0.6601 0.6601 1.0005 1.0005 1.0875 1.0875 1.4949 1.4949 1.6794 1.6794 1.9992 1.9992 5.9738 5.9738 8.2579 8.2579 8.6168 8.6168 8.7388 8.7388 k = 0.1806 0.5000-0.0000 ( 3474 PWs) bands (ev): -23.1186 -23.1186 -10.3554 -10.3554 -7.8126 -7.8126 -6.9884 -6.9884 -6.9012 -6.9012 -1.9185 -1.9185 -1.6289 -1.6289 0.2906 0.2906 0.6626 0.6626 0.9992 0.9992 1.0858 1.0858 1.4956 1.4956 1.6818 1.6818 2.0072 2.0072 6.0056 6.0056 8.2232 8.2232 8.5483 8.5483 8.6583 8.6583 k = 0.1944 0.5000-0.0000 ( 3470 PWs) bands (ev): -23.1182 -23.1182 -10.3499 -10.3499 -7.8179 -7.8179 -6.9922 -6.9922 -6.9118 -6.9118 -1.9174 -1.9174 -1.6253 -1.6253 0.3141 0.3141 0.6653 0.6653 0.9979 0.9979 1.0841 1.0841 1.4961 1.4961 1.6842 1.6842 2.0158 2.0158 6.0398 6.0398 8.1880 8.1880 8.4814 8.4814 8.5779 8.5779 k = 0.2083 0.5000-0.0000 ( 3466 PWs) bands (ev): -23.1179 -23.1179 -10.3443 -10.3443 -7.8234 -7.8234 -6.9961 -6.9961 -6.9227 -6.9227 -1.9162 -1.9162 -1.6216 -1.6216 0.3384 0.3384 0.6681 0.6681 0.9966 0.9966 1.0823 1.0823 1.4964 1.4964 1.6866 1.6866 2.0251 2.0251 6.0766 6.0766 8.1527 8.1527 8.4164 8.4164 8.4983 8.4983 k = 0.2222 0.5000-0.0000 ( 3470 PWs) bands (ev): -23.1176 -23.1176 -10.3385 -10.3385 -7.8291 -7.8291 -6.9999 -6.9999 -6.9339 -6.9339 -1.9150 -1.9150 -1.6178 -1.6178 0.3633 0.3633 0.6710 0.6710 0.9952 0.9952 1.0804 1.0804 1.4964 1.4964 1.6890 1.6890 2.0350 2.0350 6.1159 6.1159 8.1175 8.1175 8.3534 8.3534 8.4198 8.4198 k = 0.2361 0.5000-0.0000 ( 3466 PWs) bands (ev): -23.1172 -23.1172 -10.3325 -10.3325 -7.8349 -7.8349 -7.0037 -7.0037 -6.9452 -6.9452 -1.9138 -1.9138 -1.6139 -1.6139 0.3887 0.3887 0.6740 0.6740 0.9938 0.9938 1.0786 1.0786 1.4963 1.4963 1.6913 1.6913 2.0453 2.0453 6.1577 6.1577 8.0826 8.0826 8.2925 8.2925 8.3431 8.3431 k = 0.2500 0.5000-0.0000 ( 3472 PWs) bands (ev): -23.1169 -23.1169 -10.3265 -10.3265 -7.8409 -7.8409 -7.0075 -7.0075 -6.9566 -6.9566 -1.9126 -1.9126 -1.6100 -1.6100 0.4142 0.4142 0.6771 0.6771 0.9923 0.9923 1.0766 1.0766 1.4959 1.4959 1.6935 1.6935 2.0561 2.0561 6.2020 6.2020 8.0483 8.0483 8.2335 8.2335 8.2688 8.2688 k = 0.2639 0.5000-0.0000 ( 3476 PWs) bands (ev): -23.1166 -23.1166 -10.3204 -10.3204 -7.8470 -7.8470 -7.0112 -7.0112 -6.9680 -6.9680 -1.9114 -1.9114 -1.6060 -1.6060 0.4398 0.4398 0.6803 0.6803 0.9907 0.9907 1.0747 1.0747 1.4954 1.4954 1.6957 1.6957 2.0673 2.0673 6.2487 6.2487 8.0148 8.0148 8.1753 8.1753 8.1985 8.1985 k = 0.2778 0.5000-0.0000 ( 3472 PWs) bands (ev): -23.1162 -23.1162 -10.3143 -10.3143 -7.8531 -7.8531 -7.0148 -7.0148 -6.9793 -6.9793 -1.9102 -1.9102 -1.6021 -1.6021 0.4653 0.4653 0.6835 0.6835 0.9892 0.9892 1.0728 1.0728 1.4948 1.4948 1.6977 1.6977 2.0787 2.0787 6.2981 6.2981 7.9823 7.9823 8.1144 8.1144 8.1360 8.1360 k = 0.2917 0.5000-0.0000 ( 3476 PWs) bands (ev): -23.1159 -23.1159 -10.3083 -10.3083 -7.8592 -7.8592 -7.0183 -7.0183 -6.9903 -6.9903 -1.9090 -1.9090 -1.5982 -1.5982 0.4904 0.4904 0.6867 0.6867 0.9876 0.9876 1.0709 1.0709 1.4939 1.4939 1.6996 1.6996 2.0903 2.0903 6.3499 6.3499 7.9509 7.9509 8.0503 8.0503 8.0826 8.0826 k = 0.3056 0.5000-0.0000 ( 3484 PWs) bands (ev): -23.1156 -23.1156 -10.3024 -10.3024 -7.8652 -7.8652 -7.0216 -7.0216 -7.0011 -7.0011 -1.9078 -1.9078 -1.5944 -1.5944 0.5149 0.5149 0.6900 0.6900 0.9861 0.9861 1.0690 1.0690 1.4929 1.4929 1.7012 1.7012 2.1019 2.1019 6.4042 6.4042 7.9206 7.9206 7.9870 7.9870 8.0343 8.0343 k = 0.3194 0.5000-0.0000 ( 3476 PWs) bands (ev): -23.1152 -23.1152 -10.2967 -10.2967 -7.8711 -7.8711 -7.0249 -7.0249 -7.0114 -7.0114 -1.9067 -1.9067 -1.5907 -1.5907 0.5387 0.5387 0.6933 0.6933 0.9846 0.9846 1.0673 1.0673 1.4918 1.4918 1.7028 1.7028 2.1135 2.1135 6.4611 6.4611 7.8911 7.8911 7.9271 7.9271 7.9896 7.9896 k = 0.3333 0.5000-0.0000 ( 3476 PWs) bands (ev): -23.1149 -23.1149 -10.2911 -10.2911 -7.8769 -7.8769 -7.0283 -7.0283 -7.0210 -7.0210 -1.9056 -1.9056 -1.5872 -1.5872 0.5615 0.5615 0.6965 0.6965 0.9832 0.9832 1.0656 1.0656 1.4907 1.4907 1.7042 1.7042 2.1249 2.1249 6.5205 6.5205 7.8581 7.8581 7.8755 7.8755 7.9483 7.9483 k = 0.3472 0.5000-0.0000 ( 3480 PWs) bands (ev): -23.1147 -23.1147 -10.2858 -10.2858 -7.8824 -7.8824 -7.0332 -7.0332 -7.0284 -7.0284 -1.9046 -1.9046 -1.5838 -1.5838 0.5832 0.5832 0.6998 0.6998 0.9818 0.9818 1.0639 1.0639 1.4894 1.4894 1.7055 1.7055 2.1359 2.1359 6.5824 6.5824 7.8105 7.8105 7.8439 7.8439 7.9103 7.9103 k = 0.3611 0.5000-0.0000 ( 3476 PWs) bands (ev): -23.1144 -23.1144 -10.2807 -10.2807 -7.8876 -7.8876 -7.0410 -7.0410 -7.0320 -7.0320 -1.9036 -1.9036 -1.5806 -1.5806 0.6034 0.6034 0.7031 0.7031 0.9804 0.9804 1.0624 1.0624 1.4882 1.4882 1.7066 1.7066 2.1465 2.1465 6.6468 6.6468 7.7614 7.7614 7.8195 7.8195 7.8754 7.8754 k = 0.3750 0.5000-0.0000 ( 3474 PWs) bands (ev): -23.1141 -23.1141 -10.2760 -10.2760 -7.8925 -7.8925 -7.0491 -7.0491 -7.0346 -7.0346 -1.9027 -1.9027 -1.5776 -1.5776 0.6221 0.6221 0.7063 0.7063 0.9791 0.9791 1.0609 1.0609 1.4870 1.4870 1.7076 1.7076 2.1566 2.1566 6.7138 6.7138 7.7157 7.7157 7.7977 7.7977 7.8439 7.8439 k = 0.3889 0.5000-0.0000 ( 3470 PWs) bands (ev): -23.1139 -23.1139 -10.2717 -10.2717 -7.8971 -7.8971 -7.0566 -7.0566 -7.0368 -7.0368 -1.9019 -1.9019 -1.5748 -1.5748 0.6389 0.6389 0.7097 0.7097 0.9780 0.9780 1.0596 1.0596 1.4859 1.4859 1.7084 1.7084 2.1659 2.1659 6.7832 6.7832 7.6741 7.6741 7.7780 7.7780 7.8157 7.8157 k = 0.4028 0.5000-0.0000 ( 3464 PWs) bands (ev): -23.1137 -23.1137 -10.2678 -10.2678 -7.9012 -7.9012 -7.0634 -7.0634 -7.0387 -7.0387 -1.9012 -1.9012 -1.5723 -1.5723 0.6537 0.6537 0.7132 0.7132 0.9769 0.9769 1.0585 1.0585 1.4848 1.4848 1.7091 1.7091 2.1745 2.1745 6.8552 6.8552 7.6370 7.6370 7.7604 7.7604 7.7910 7.7910 k = 0.4167 0.5000-0.0000 ( 3464 PWs) bands (ev): -23.1135 -23.1135 -10.2643 -10.2643 -7.9048 -7.9048 -7.0694 -7.0694 -7.0403 -7.0403 -1.9005 -1.9005 -1.5701 -1.5701 0.6662 0.6662 0.7169 0.7169 0.9760 0.9760 1.0574 1.0574 1.4838 1.4838 1.7097 1.7097 2.1821 2.1821 6.9296 6.9296 7.6044 7.6044 7.7448 7.7448 7.7697 7.7697 k = 0.4306 0.5000-0.0000 ( 3464 PWs) bands (ev): -23.1133 -23.1133 -10.2613 -10.2613 -7.9080 -7.9080 -7.0746 -7.0746 -7.0417 -7.0417 -1.9000 -1.9000 -1.5683 -1.5683 0.6762 0.6762 0.7208 0.7208 0.9751 0.9751 1.0565 1.0565 1.4828 1.4828 1.7102 1.7102 2.1887 2.1887 7.0063 7.0063 7.5766 7.5766 7.7312 7.7312 7.7519 7.7519 k = 0.4444 0.5000-0.0000 ( 3468 PWs) bands (ev): -23.1132 -23.1132 -10.2588 -10.2588 -7.9106 -7.9106 -7.0789 -7.0789 -7.0428 -7.0428 -1.8995 -1.8995 -1.5667 -1.5667 0.6838 0.6838 0.7248 0.7248 0.9744 0.9744 1.0558 1.0558 1.4820 1.4820 1.7105 1.7105 2.1943 2.1943 7.0852 7.0852 7.5536 7.5536 7.7196 7.7196 7.7377 7.7377 k = 0.4583 0.5000-0.0000 ( 3468 PWs) bands (ev): -23.1131 -23.1131 -10.2568 -10.2568 -7.9127 -7.9127 -7.0822 -7.0822 -7.0437 -7.0437 -1.8991 -1.8991 -1.5655 -1.5655 0.6892 0.6892 0.7285 0.7285 0.9739 0.9739 1.0552 1.0552 1.4814 1.4814 1.7108 1.7108 2.1986 2.1986 7.1658 7.1658 7.5356 7.5356 7.7103 7.7103 7.7262 7.7262 k = 0.4722 0.5000-0.0000 ( 3460 PWs) bands (ev): -23.1130 -23.1130 -10.2554 -10.2554 -7.9142 -7.9142 -7.0847 -7.0847 -7.0443 -7.0443 -1.8989 -1.8989 -1.5646 -1.5646 0.6927 0.6927 0.7316 0.7316 0.9736 0.9736 1.0548 1.0548 1.4810 1.4810 1.7110 1.7110 2.2018 2.2018 7.2469 7.2469 7.5223 7.5223 7.6439 7.6439 7.7034 7.7034 k = 0.4861 0.5000-0.0000 ( 3456 PWs) bands (ev): -23.1130 -23.1130 -10.2545 -10.2545 -7.9151 -7.9151 -7.0861 -7.0861 -7.0447 -7.0447 -1.8988 -1.8988 -1.5640 -1.5640 0.6947 0.6947 0.7336 0.7336 0.9734 0.9734 1.0546 1.0546 1.4807 1.4807 1.7112 1.7112 2.2037 2.2037 7.3237 7.3237 7.5126 7.5126 7.5615 7.5615 7.6991 7.6991 k = 0.5000 0.5000-0.0000 ( 3440 PWs) bands (ev): -23.1130 -23.1130 -10.2543 -10.2543 -7.9154 -7.9154 -7.0866 -7.0866 -7.0448 -7.0448 -1.8987 -1.8987 -1.5639 -1.5639 0.6953 0.6953 0.7343 0.7343 0.9734 0.9734 1.0547 1.0547 1.4807 1.4807 1.7113 1.7113 2.2044 2.2044 7.3671 7.3671 7.4999 7.4999 7.5255 7.5255 7.6977 7.6977 k = 0.5000 0.5000-0.0000 ( 3440 PWs) bands (ev): -23.1130 -23.1130 -10.2543 -10.2543 -7.9154 -7.9154 -7.0866 -7.0866 -7.0448 -7.0448 -1.8987 -1.8987 -1.5639 -1.5639 0.6953 0.6953 0.7343 0.7343 0.9734 0.9734 1.0547 1.0547 1.4807 1.4807 1.7113 1.7113 2.2044 2.2044 7.3671 7.3671 7.4999 7.4999 7.5255 7.5255 7.6977 7.6977 k = 0.4900 0.4900-0.0000 ( 3456 PWs) bands (ev): -23.1130 -23.1130 -10.2546 -10.2546 -7.9151 -7.9151 -7.0861 -7.0861 -7.0447 -7.0447 -1.8988 -1.8988 -1.5640 -1.5640 0.6946 0.6946 0.7336 0.7336 0.9734 0.9734 1.0546 1.0546 1.4807 1.4807 1.7112 1.7112 2.2037 2.2037 7.3227 7.3227 7.5114 7.5114 7.5639 7.5639 7.6992 7.6992 k = 0.4800 0.4800-0.0000 ( 3462 PWs) bands (ev): -23.1130 -23.1130 -10.2555 -10.2555 -7.9142 -7.9142 -7.0846 -7.0846 -7.0443 -7.0443 -1.8989 -1.8989 -1.5646 -1.5646 0.6925 0.6925 0.7316 0.7316 0.9736 0.9736 1.0549 1.0549 1.4810 1.4810 1.7110 1.7110 2.2017 2.2017 7.2461 7.2461 7.5165 7.5165 7.6513 7.6513 7.7032 7.7032 k = 0.4700 0.4700-0.0000 ( 3470 PWs) bands (ev): -23.1131 -23.1131 -10.2569 -10.2569 -7.9126 -7.9126 -7.0821 -7.0821 -7.0436 -7.0436 -1.8992 -1.8992 -1.5655 -1.5655 0.6883 0.6883 0.7291 0.7291 0.9739 0.9739 1.0552 1.0552 1.4814 1.4814 1.7108 1.7108 2.1984 2.1984 7.1670 7.1670 7.5223 7.5223 7.7091 7.7091 7.7285 7.7285 k = 0.4600 0.4600-0.0000 ( 3474 PWs) bands (ev): -23.1132 -23.1132 -10.2589 -10.2589 -7.9105 -7.9105 -7.0788 -7.0788 -7.0425 -7.0425 -1.8996 -1.8996 -1.5668 -1.5668 0.6815 0.6815 0.7267 0.7267 0.9745 0.9745 1.0558 1.0558 1.4821 1.4821 1.7105 1.7105 2.1937 2.1937 7.0903 7.0903 7.5301 7.5301 7.7162 7.7162 7.7426 7.7426 k = 0.4500 0.4500-0.0000 ( 3470 PWs) bands (ev): -23.1134 -23.1134 -10.2614 -10.2614 -7.9078 -7.9078 -7.0747 -7.0747 -7.0410 -7.0410 -1.9001 -1.9001 -1.5684 -1.5684 0.6716 0.6716 0.7250 0.7250 0.9752 0.9752 1.0566 1.0566 1.4829 1.4829 1.7102 1.7102 2.1877 2.1877 7.0173 7.0173 7.5399 7.5399 7.7245 7.7245 7.7609 7.7609 k = 0.4400 0.4400-0.0000 ( 3466 PWs) bands (ev): -23.1135 -23.1135 -10.2644 -10.2644 -7.9047 -7.9047 -7.0701 -7.0701 -7.0390 -7.0390 -1.9007 -1.9007 -1.5703 -1.5703 0.6588 0.6588 0.7242 0.7242 0.9761 0.9761 1.0575 1.0575 1.4839 1.4839 1.7098 1.7098 2.1804 2.1804 6.9484 6.9484 7.5519 7.5519 7.7341 7.7341 7.7837 7.7837 k = 0.4300 0.4300-0.0000 ( 3471 PWs) bands (ev): -23.1137 -23.1137 -10.2678 -10.2678 -7.9011 -7.9011 -7.0653 -7.0653 -7.0360 -7.0360 -1.9015 -1.9015 -1.5725 -1.5725 0.6434 0.6434 0.7243 0.7243 0.9770 0.9770 1.0585 1.0585 1.4849 1.4849 1.7093 1.7093 2.1718 2.1718 6.8838 6.8838 7.5658 7.5658 7.7450 7.7450 7.8107 7.8107 k = 0.4200 0.4200-0.0000 ( 3471 PWs) bands (ev): -23.1140 -23.1140 -10.2716 -10.2716 -7.8971 -7.8971 -7.0606 -7.0606 -7.0320 -7.0320 -1.9024 -1.9024 -1.5750 -1.5750 0.6258 0.6258 0.7250 0.7250 0.9781 0.9781 1.0598 1.0598 1.4860 1.4860 1.7087 1.7087 2.1620 2.1620 6.8237 6.8237 7.5818 7.5818 7.7575 7.7575 7.8418 7.8418 k = 0.4100 0.4100-0.0000 ( 3467 PWs) bands (ev): -23.1142 -23.1142 -10.2757 -10.2757 -7.8928 -7.8928 -7.0563 -7.0563 -7.0266 -7.0266 -1.9034 -1.9034 -1.5777 -1.5777 0.6065 0.6065 0.7263 0.7263 0.9794 0.9794 1.0611 1.0611 1.4872 1.4872 1.7080 1.7080 2.1508 2.1508 6.7681 6.7681 7.5998 7.5998 7.7714 7.7714 7.8768 7.8768 k = 0.4000 0.4000-0.0000 ( 3469 PWs) bands (ev): -23.1145 -23.1145 -10.2801 -10.2801 -7.8883 -7.8883 -7.0527 -7.0527 -7.0197 -7.0197 -1.9046 -1.9046 -1.5806 -1.5806 0.5859 0.5859 0.7280 0.7280 0.9807 0.9807 1.0626 1.0626 1.4884 1.4884 1.7073 1.7073 2.1385 2.1385 6.7172 6.7172 7.6196 7.6196 7.7869 7.7869 7.9156 7.9156 k = 0.3900 0.3900-0.0000 ( 3471 PWs) bands (ev): -23.1148 -23.1148 -10.2846 -10.2846 -7.8835 -7.8835 -7.0497 -7.0497 -7.0115 -7.0115 -1.9060 -1.9060 -1.5837 -1.5837 0.5646 0.5646 0.7302 0.7302 0.9821 0.9821 1.0641 1.0641 1.4896 1.4896 1.7064 1.7064 2.1249 2.1249 6.6708 6.6708 7.6412 7.6412 7.8038 7.8038 7.9580 7.9580 k = 0.3800 0.3800-0.0000 ( 3463 PWs) bands (ev): -23.1151 -23.1151 -10.2892 -10.2892 -7.8787 -7.8787 -7.0471 -7.0471 -7.0023 -7.0023 -1.9074 -1.9074 -1.5869 -1.5869 0.5428 0.5428 0.7327 0.7327 0.9836 0.9836 1.0658 1.0658 1.4909 1.4909 1.7056 1.7056 2.1102 2.1102 6.6290 6.6290 7.6646 7.6646 7.8222 7.8222 8.0038 8.0038 k = 0.3700 0.3700-0.0000 ( 3467 PWs) bands (ev): -23.1155 -23.1155 -10.2939 -10.2939 -7.8737 -7.8737 -7.0448 -7.0448 -6.9924 -6.9924 -1.9091 -1.9091 -1.5902 -1.5902 0.5211 0.5211 0.7356 0.7356 0.9851 0.9851 1.0675 1.0675 1.4921 1.4921 1.7047 1.7047 2.0943 2.0943 6.5918 6.5918 7.6895 7.6895 7.8420 7.8420 8.0529 8.0529 k = 0.3600 0.3600-0.0000 ( 3459 PWs) bands (ev): -23.1159 -23.1159 -10.2985 -10.2985 -7.8688 -7.8688 -7.0426 -7.0426 -6.9820 -6.9820 -1.9110 -1.9110 -1.5936 -1.5936 0.4996 0.4996 0.7388 0.7388 0.9867 0.9867 1.0693 1.0693 1.4933 1.4933 1.7037 1.7037 2.0774 2.0774 6.5592 6.5592 7.7159 7.7159 7.8632 7.8632 8.1050 8.1050 k = 0.3500 0.3500-0.0000 ( 3469 PWs) bands (ev): -23.1163 -23.1163 -10.3031 -10.3031 -7.8639 -7.8639 -7.0405 -7.0405 -6.9712 -6.9712 -1.9132 -1.9132 -1.5970 -1.5970 0.4790 0.4790 0.7424 0.7424 0.9883 0.9883 1.0711 1.0711 1.4943 1.4943 1.7027 1.7027 2.0595 2.0595 6.5311 6.5311 7.7436 7.7436 7.8858 7.8858 8.1599 8.1599 k = 0.3400 0.3400-0.0000 ( 3461 PWs) bands (ev): -23.1167 -23.1167 -10.3075 -10.3075 -7.8591 -7.8591 -7.0385 -7.0385 -6.9604 -6.9604 -1.9154 -1.9154 -1.6004 -1.6004 0.4594 0.4594 0.7464 0.7464 0.9899 0.9899 1.0730 1.0730 1.4954 1.4954 1.7017 1.7017 2.0406 2.0406 6.5075 6.5075 7.7725 7.7725 7.9097 7.9097 8.2172 8.2172 k = 0.3300 0.3300-0.0000 ( 3461 PWs) bands (ev): -23.1171 -23.1171 -10.3117 -10.3117 -7.8544 -7.8544 -7.0364 -7.0364 -6.9496 -6.9496 -1.9179 -1.9179 -1.6038 -1.6038 0.4413 0.4413 0.7506 0.7506 0.9916 0.9916 1.0749 1.0749 1.4963 1.4963 1.7005 1.7005 2.0209 2.0209 6.4883 6.4883 7.8024 7.8024 7.9348 7.9348 8.2766 8.2766 k = 0.3200 0.3200-0.0000 ( 3467 PWs) bands (ev): -23.1176 -23.1176 -10.3157 -10.3157 -7.8499 -7.8499 -7.0344 -7.0344 -6.9390 -6.9390 -1.9207 -1.9207 -1.6071 -1.6071 0.4249 0.4249 0.7553 0.7553 0.9932 0.9932 1.0767 1.0767 1.4971 1.4971 1.6994 1.6994 2.0003 2.0003 6.4734 6.4734 7.8330 7.8330 7.9612 7.9612 8.3378 8.3378 k = 0.3100 0.3100-0.0000 ( 3471 PWs) bands (ev): -23.1180 -23.1180 -10.3193 -10.3193 -7.8456 -7.8456 -7.0323 -7.0323 -6.9288 -6.9288 -1.9237 -1.9237 -1.6103 -1.6103 0.4106 0.4106 0.7602 0.7602 0.9948 0.9948 1.0786 1.0786 1.4978 1.4978 1.6983 1.6983 1.9791 1.9791 6.4628 6.4628 7.8640 7.8640 7.9887 7.9887 8.4002 8.4002 k = 0.3000 0.3000-0.0000 ( 3475 PWs) bands (ev): -23.1185 -23.1185 -10.3226 -10.3226 -7.8416 -7.8416 -7.0302 -7.0302 -6.9191 -6.9191 -1.9268 -1.9268 -1.6133 -1.6133 0.3986 0.3986 0.7655 0.7655 0.9964 0.9964 1.0804 1.0804 1.4984 1.4984 1.6971 1.6971 1.9572 1.9572 6.4564 6.4564 7.8953 7.8953 8.0173 8.0173 8.4634 8.4634 k = 0.2900 0.2900-0.0000 ( 3479 PWs) bands (ev): -23.1190 -23.1190 -10.3255 -10.3255 -7.8379 -7.8379 -7.0281 -7.0281 -6.9099 -6.9099 -1.9303 -1.9303 -1.6163 -1.6163 0.3892 0.3892 0.7712 0.7712 0.9980 0.9980 1.0822 1.0822 1.4988 1.4988 1.6959 1.6959 1.9347 1.9347 6.4540 6.4540 7.9264 7.9264 8.0468 8.0468 8.5268 8.5268 k = 0.2800 0.2800-0.0000 ( 3487 PWs) bands (ev): -23.1195 -23.1195 -10.3280 -10.3280 -7.8344 -7.8344 -7.0260 -7.0260 -6.9014 -6.9014 -1.9339 -1.9339 -1.6190 -1.6190 0.3824 0.3824 0.7771 0.7771 0.9995 0.9995 1.0839 1.0839 1.4991 1.4991 1.6947 1.6947 1.9118 1.9118 6.4556 6.4556 7.9570 7.9570 8.0773 8.0773 8.5896 8.5896 k = 0.2700 0.2700-0.0000 ( 3483 PWs) bands (ev): -23.1200 -23.1200 -10.3300 -10.3300 -7.8313 -7.8313 -7.0239 -7.0239 -6.8936 -6.8936 -1.9377 -1.9377 -1.6215 -1.6215 0.3786 0.3786 0.7834 0.7834 1.0010 1.0010 1.0857 1.0857 1.4994 1.4994 1.6935 1.6935 1.8885 1.8885 6.4610 6.4610 7.9867 7.9867 8.1087 8.1087 8.6511 8.6511 k = 0.2600 0.2600-0.0000 ( 3487 PWs) bands (ev): -23.1206 -23.1206 -10.3316 -10.3316 -7.8284 -7.8284 -7.0218 -7.0218 -6.8867 -6.8867 -1.9417 -1.9417 -1.6239 -1.6239 0.3778 0.3778 0.7900 0.7900 1.0024 1.0024 1.0873 1.0873 1.4994 1.4994 1.6923 1.6923 1.8649 1.8649 6.4700 6.4700 8.0149 8.0149 8.1407 8.1407 8.7104 8.7104 k = 0.2500 0.2500-0.0000 ( 3491 PWs) bands (ev): -23.1211 -23.1211 -10.3327 -10.3327 -7.8260 -7.8260 -7.0197 -7.0197 -6.8807 -6.8807 -1.9459 -1.9459 -1.6260 -1.6260 0.3800 0.3800 0.7969 0.7969 1.0037 1.0037 1.0888 1.0888 1.4993 1.4993 1.6910 1.6910 1.8412 1.8412 6.4826 6.4826 8.0412 8.0412 8.1734 8.1734 8.7665 8.7665 k = 0.2400 0.2400-0.0000 ( 3481 PWs) bands (ev): -23.1216 -23.1216 -10.3334 -10.3334 -7.8238 -7.8238 -7.0177 -7.0177 -6.8756 -6.8756 -1.9502 -1.9502 -1.6279 -1.6279 0.3854 0.3854 0.8041 0.8041 1.0051 1.0051 1.0904 1.0904 1.4991 1.4991 1.6896 1.6896 1.8174 1.8174 6.4985 6.4985 8.0649 8.0649 8.2066 8.2066 8.8184 8.8184 k = 0.2300 0.2300-0.0000 ( 3489 PWs) bands (ev): -23.1221 -23.1221 -10.3336 -10.3336 -7.8220 -7.8220 -7.0157 -7.0157 -6.8714 -6.8714 -1.9547 -1.9547 -1.6296 -1.6296 0.3939 0.3939 0.8116 0.8116 1.0063 1.0063 1.0918 1.0918 1.4986 1.4986 1.6881 1.6881 1.7937 1.7937 6.5175 6.5175 8.0855 8.0855 8.2403 8.2403 8.8650 8.8650 k = 0.2200 0.2200-0.0000 ( 3489 PWs) bands (ev): -23.1227 -23.1227 -10.3333 -10.3333 -7.8205 -7.8205 -7.0138 -7.0138 -6.8681 -6.8681 -1.9592 -1.9592 -1.6310 -1.6310 0.4055 0.4055 0.8192 0.8192 1.0075 1.0075 1.0931 1.0931 1.4981 1.4981 1.6863 1.6863 1.7703 1.7703 6.5396 6.5396 8.1024 8.1024 8.2742 8.2742 8.9055 8.9055 k = 0.2100 0.2100-0.0000 ( 3485 PWs) bands (ev): -23.1232 -23.1232 -10.3325 -10.3325 -7.8194 -7.8194 -7.0120 -7.0120 -6.8658 -6.8658 -1.9638 -1.9638 -1.6322 -1.6322 0.4201 0.4201 0.8271 0.8271 1.0086 1.0086 1.0943 1.0943 1.4975 1.4975 1.6839 1.6839 1.7476 1.7476 6.5644 6.5644 8.1151 8.1151 8.3083 8.3083 8.9390 8.9390 k = 0.2000 0.2000-0.0000 ( 3489 PWs) bands (ev): -23.1237 -23.1237 -10.3314 -10.3314 -7.8185 -7.8185 -7.0103 -7.0103 -6.8643 -6.8643 -1.9685 -1.9685 -1.6332 -1.6332 0.4377 0.4377 0.8351 0.8351 1.0096 1.0096 1.0954 1.0954 1.4966 1.4966 1.6801 1.6801 1.7264 1.7264 6.5918 6.5918 8.1230 8.1230 8.3424 8.3424 8.9650 8.9650 k = 0.1900 0.1900-0.0000 ( 3489 PWs) bands (ev): -23.1242 -23.1242 -10.3298 -10.3298 -7.8180 -7.8180 -7.0087 -7.0087 -6.8636 -6.8636 -1.9732 -1.9732 -1.6340 -1.6340 0.4579 0.4579 0.8433 0.8433 1.0105 1.0105 1.0965 1.0965 1.4957 1.4957 1.6725 1.6725 1.7091 1.7091 6.6215 6.6215 8.1258 8.1258 8.3764 8.3764 8.9831 8.9831 k = 0.1800 0.1800-0.0000 ( 3489 PWs) bands (ev): -23.1247 -23.1247 -10.3279 -10.3279 -7.8178 -7.8178 -7.0073 -7.0073 -6.8636 -6.8636 -1.9778 -1.9778 -1.6345 -1.6345 0.4808 0.4808 0.8516 0.8516 1.0112 1.0112 1.0974 1.0974 1.4947 1.4947 1.6585 1.6585 1.6986 1.6986 6.6533 6.6533 8.1235 8.1235 8.4101 8.4101 8.9937 8.9937 k = 0.1700 0.1700-0.0000 ( 3489 PWs) bands (ev): -23.1252 -23.1252 -10.3257 -10.3257 -7.8179 -7.8179 -7.0060 -7.0060 -6.8642 -6.8642 -1.9824 -1.9824 -1.6349 -1.6349 0.5059 0.5059 0.8599 0.8599 1.0120 1.0120 1.0983 1.0983 1.4935 1.4935 1.6394 1.6394 1.6935 1.6935 6.6869 6.6869 8.1160 8.1160 8.4434 8.4434 8.9972 8.9972 k = 0.1600 0.1600-0.0000 ( 3489 PWs) bands (ev): -23.1256 -23.1256 -10.3232 -10.3232 -7.8182 -7.8182 -7.0049 -7.0049 -6.8654 -6.8654 -1.9869 -1.9869 -1.6351 -1.6351 0.5332 0.5332 0.8682 0.8682 1.0126 1.0126 1.0991 1.0991 1.4922 1.4922 1.6183 1.6183 1.6907 1.6907 6.7220 6.7220 8.1037 8.1037 8.4761 8.4761 8.9944 8.9944 k = 0.1500 0.1500-0.0000 ( 3479 PWs) bands (ev): -23.1261 -23.1261 -10.3204 -10.3204 -7.8188 -7.8188 -7.0040 -7.0040 -6.8671 -6.8671 -1.9913 -1.9913 -1.6351 -1.6351 0.5622 0.5622 0.8765 0.8765 1.0131 1.0131 1.0998 1.0998 1.4910 1.4910 1.5965 1.5965 1.6890 1.6890 6.7582 6.7582 8.0871 8.0871 8.5080 8.5080 8.9862 8.9862 k = 0.1400 0.1400-0.0000 ( 3473 PWs) bands (ev): -23.1265 -23.1265 -10.3174 -10.3174 -7.8196 -7.8196 -7.0033 -7.0033 -6.8691 -6.8691 -1.9955 -1.9955 -1.6350 -1.6350 0.5928 0.5928 0.8847 0.8847 1.0136 1.0136 1.1005 1.1005 1.4895 1.4895 1.5746 1.5746 1.6877 1.6877 6.7953 6.7953 8.0669 8.0669 8.5390 8.5390 8.9738 8.9738 k = 0.1300 0.1300-0.0000 ( 3473 PWs) bands (ev): -23.1269 -23.1269 -10.3144 -10.3144 -7.8205 -7.8205 -7.0029 -7.0029 -6.8713 -6.8713 -1.9995 -1.9995 -1.6348 -1.6348 0.6245 0.6245 0.8927 0.8927 1.0139 1.0139 1.1010 1.1010 1.4880 1.4880 1.5530 1.5530 1.6867 1.6867 6.8328 6.8328 8.0439 8.0439 8.5688 8.5688 8.9581 8.9581 k = 0.1200 0.1200-0.0000 ( 3465 PWs) bands (ev): -23.1273 -23.1273 -10.3112 -10.3112 -7.8216 -7.8216 -7.0027 -7.0027 -6.8737 -6.8737 -2.0034 -2.0034 -1.6345 -1.6345 0.6571 0.6571 0.9005 0.9005 1.0142 1.0142 1.1015 1.1015 1.4864 1.4864 1.5317 1.5317 1.6859 1.6859 6.8704 6.8704 8.0188 8.0188 8.5973 8.5973 8.9403 8.9403 k = 0.1100 0.1100-0.0000 ( 3457 PWs) bands (ev): -23.1277 -23.1277 -10.3080 -10.3080 -7.8228 -7.8228 -7.0027 -7.0027 -6.8761 -6.8761 -2.0070 -2.0070 -1.6341 -1.6341 0.6901 0.6901 0.9081 0.9081 1.0143 1.0143 1.1020 1.1020 1.4844 1.4844 1.5111 1.5111 1.6852 1.6852 6.9076 6.9076 7.9926 7.9926 8.6244 8.6244 8.9211 8.9211 k = 0.1000 0.1000-0.0000 ( 3459 PWs) bands (ev): -23.1280 -23.1280 -10.3049 -10.3049 -7.8241 -7.8241 -7.0029 -7.0029 -6.8785 -6.8785 -2.0103 -2.0103 -1.6337 -1.6337 0.7232 0.7232 0.9153 0.9153 1.0143 1.0143 1.1024 1.1024 1.4803 1.4803 1.4930 1.4930 1.6846 1.6846 6.9440 6.9440 7.9661 7.9661 8.6497 8.6497 8.9015 8.9015 k = 0.0900 0.0900-0.0000 ( 3459 PWs) bands (ev): -23.1283 -23.1283 -10.3018 -10.3018 -7.8254 -7.8254 -7.0033 -7.0033 -6.8808 -6.8808 -2.0134 -2.0134 -1.6332 -1.6332 0.7560 0.7560 0.9221 0.9221 1.0142 1.0142 1.1027 1.1027 1.4666 1.4666 1.4851 1.4851 1.6840 1.6840 6.9791 6.9791 7.9400 7.9400 8.6732 8.6732 8.8820 8.8820 k = 0.0800 0.0800-0.0000 ( 3465 PWs) bands (ev): -23.1286 -23.1286 -10.2990 -10.2990 -7.8266 -7.8266 -7.0038 -7.0038 -6.8829 -6.8829 -2.0163 -2.0163 -1.6327 -1.6327 0.7880 0.7880 0.9285 0.9285 1.0138 1.0138 1.1029 1.1029 1.4481 1.4481 1.4827 1.4827 1.6835 1.6835 7.0124 7.0124 7.9149 7.9149 8.6947 8.6947 8.8633 8.8633 k = 0.0700 0.0700-0.0000 ( 3465 PWs) bands (ev): -23.1288 -23.1288 -10.2963 -10.2963 -7.8279 -7.8279 -7.0045 -7.0045 -6.8848 -6.8848 -2.0188 -2.0188 -1.6322 -1.6322 0.8186 0.8186 0.9344 0.9344 1.0134 1.0134 1.1031 1.1031 1.4297 1.4297 1.4812 1.4812 1.6831 1.6831 7.0434 7.0434 7.8916 7.8916 8.7140 8.7140 8.8459 8.8459 k = 0.0600 0.0600-0.0000 ( 3461 PWs) bands (ev): -23.1291 -23.1291 -10.2938 -10.2938 -7.8291 -7.8291 -7.0052 -7.0052 -6.8865 -6.8865 -2.0210 -2.0210 -1.6317 -1.6317 0.8474 0.8474 0.9399 0.9399 1.0127 1.0127 1.1032 1.1032 1.4121 1.4121 1.4799 1.4799 1.6828 1.6828 7.0716 7.0716 7.8704 7.8704 8.7309 8.7309 8.8303 8.8303 k = 0.0500 0.0500-0.0000 ( 3479 PWs) bands (ev): -23.1292 -23.1292 -10.2917 -10.2917 -7.8301 -7.8301 -7.0059 -7.0059 -6.8879 -6.8879 -2.0229 -2.0229 -1.6313 -1.6313 0.8738 0.8738 0.9450 0.9450 1.0117 1.0117 1.1033 1.1033 1.3958 1.3958 1.4787 1.4787 1.6824 1.6824 7.0965 7.0965 7.8518 7.8518 8.7452 8.7452 8.8168 8.8168 k = 0.0400 0.0400-0.0000 ( 3481 PWs) bands (ev): -23.1294 -23.1294 -10.2899 -10.2899 -7.8310 -7.8310 -7.0065 -7.0065 -6.8890 -6.8890 -2.0245 -2.0245 -1.6309 -1.6309 0.8967 0.8967 0.9500 0.9500 1.0103 1.0103 1.1034 1.1034 1.3813 1.3813 1.4778 1.4778 1.6822 1.6822 7.1176 7.1176 7.8361 7.8361 8.7565 8.7565 8.8059 8.8059 k = 0.0300 0.0300-0.0000 ( 3481 PWs) bands (ev): -23.1295 -23.1295 -10.2885 -10.2885 -7.8318 -7.8318 -7.0071 -7.0071 -6.8899 -6.8899 -2.0257 -2.0257 -1.6307 -1.6307 0.9152 0.9152 0.9551 0.9551 1.0086 1.0086 1.1035 1.1035 1.3691 1.3691 1.4771 1.4771 1.6820 1.6820 7.1345 7.1345 7.8236 7.8236 8.7645 8.7645 8.7982 8.7982 k = 0.0200 0.0200-0.0000 ( 3485 PWs) bands (ev): -23.1296 -23.1296 -10.2874 -10.2874 -7.8323 -7.8323 -7.0075 -7.0075 -6.8906 -6.8906 -2.0266 -2.0266 -1.6304 -1.6304 0.9281 0.9281 0.9608 0.9608 1.0064 1.0064 1.1035 1.1035 1.3597 1.3597 1.4766 1.4766 1.6818 1.6818 7.1468 7.1468 7.8145 7.8145 8.7688 8.7688 8.7940 8.7940 k = 0.0100 0.0100-0.0000 ( 3489 PWs) bands (ev): -23.1297 -23.1297 -10.2868 -10.2868 -7.8326 -7.8326 -7.0078 -7.0078 -6.8909 -6.8909 -2.0271 -2.0271 -1.6303 -1.6303 0.9350 0.9350 0.9660 0.9660 1.0044 1.0044 1.1035 1.1035 1.3538 1.3538 1.4763 1.4763 1.6818 1.6818 7.1543 7.1543 7.8091 7.8091 8.7700 8.7700 8.7929 8.7929 k = 0.0000 0.0000 0.0000 ( 3481 PWs) bands (ev): -23.1297 -23.1297 -10.2865 -10.2865 -7.8328 -7.8328 -7.0079 -7.0079 -6.8911 -6.8911 -2.0272 -2.0272 -1.6303 -1.6303 0.9371 0.9371 0.9683 0.9683 1.0034 1.0034 1.1035 1.1035 1.3518 1.3518 1.4763 1.4763 1.6818 1.6818 7.1568 7.1568 7.8072 7.8072 8.7701 8.7701 8.7928 8.7928 k = 0.0000 0.0000 0.0000 ( 3481 PWs) bands (ev): -23.1297 -23.1297 -10.2865 -10.2865 -7.8328 -7.8328 -7.0079 -7.0079 -6.8911 -6.8911 -2.0272 -2.0272 -1.6303 -1.6303 0.9371 0.9371 0.9683 0.9683 1.0034 1.0034 1.1035 1.1035 1.3518 1.3518 1.4763 1.4763 1.6818 1.6818 7.1568 7.1568 7.8072 7.8072 8.7701 8.7701 8.7928 8.7928 k = 0.0000 0.0000 0.0142 ( 3485 PWs) bands (ev): -23.1297 -23.1297 -10.2863 -10.2863 -7.8328 -7.8328 -7.0080 -7.0080 -6.8911 -6.8911 -2.0492 -2.0492 -1.6070 -1.6070 0.9093 0.9093 0.9509 0.9509 1.0318 1.0318 1.1215 1.1215 1.3528 1.3528 1.4768 1.4768 1.6818 1.6818 7.1578 7.1578 7.8080 7.8080 8.7547 8.7547 8.7779 8.7779 k = 0.0000 0.0000 0.0283 ( 3481 PWs) bands (ev): -23.1297 -23.1297 -10.2857 -10.2857 -7.8331 -7.8331 -7.0084 -7.0084 -6.8910 -6.8910 -2.1043 -2.1043 -1.5483 -1.5483 0.8633 0.8633 0.9133 0.9133 1.0790 1.0790 1.1609 1.1609 1.3561 1.3561 1.4787 1.4787 1.6819 1.6819 7.1605 7.1605 7.8102 7.8102 8.7106 8.7106 8.7353 8.7353 k = 0.0000 0.0000 0.0425 ( 3480 PWs) bands (ev): -23.1296 -23.1296 -10.2847 -10.2847 -7.8334 -7.8334 -7.0091 -7.0091 -6.8909 -6.8909 -2.1760 -2.1760 -1.4705 -1.4705 0.8154 0.8154 0.8694 0.8694 1.1283 1.1283 1.2071 1.2071 1.3622 1.3622 1.4823 1.4823 1.6820 1.6820 7.1649 7.1649 7.8140 7.8140 8.6432 8.6432 8.6698 8.6698 k = 0.0000 0.0000 0.0567 ( 3488 PWs) bands (ev): -23.1296 -23.1296 -10.2832 -10.2832 -7.8339 -7.8339 -7.0100 -7.0100 -6.8908 -6.8908 -2.2548 -2.2548 -1.3832 -1.3832 0.7678 0.7678 0.8239 0.8239 1.1763 1.1763 1.2548 1.2548 1.3722 1.3722 1.4884 1.4884 1.6822 1.6822 7.1711 7.1711 7.8192 7.8192 8.5584 8.5584 8.5871 8.5871 k = 0.0000 0.0000 0.0709 ( 3488 PWs) bands (ev): -23.1296 -23.1296 -10.2814 -10.2814 -7.8346 -7.8346 -7.0111 -7.0111 -6.8907 -6.8907 -2.3365 -2.3365 -1.2907 -1.2907 0.7210 0.7210 0.7784 0.7784 1.2204 1.2204 1.3008 1.3008 1.3882 1.3882 1.4984 1.4984 1.6824 1.6824 7.1790 7.1790 7.8258 7.8258 8.4618 8.4618 8.4922 8.4922 k = 0.0000 0.0000 0.0850 ( 3484 PWs) bands (ev): -23.1295 -23.1295 -10.2792 -10.2792 -7.8354 -7.8354 -7.0125 -7.0125 -6.8906 -6.8906 -2.4188 -2.4188 -1.1953 -1.1953 0.6754 0.6754 0.7336 0.7336 1.2574 1.2574 1.3419 1.3419 1.4129 1.4129 1.5149 1.5149 1.6827 1.6827 7.1885 7.1885 7.8339 7.8339 8.3572 8.3572 8.3893 8.3893 k = 0.0000 0.0000 0.0992 ( 3484 PWs) bands (ev): -23.1294 -23.1294 -10.2766 -10.2766 -7.8363 -7.8363 -7.0141 -7.0141 -6.8904 -6.8904 -2.5006 -2.5006 -1.0981 -1.0981 0.6311 0.6311 0.6897 0.6897 1.2853 1.2853 1.3746 1.3746 1.4481 1.4481 1.5409 1.5409 1.6832 1.6832 7.1994 7.1994 7.8433 7.8433 8.2476 8.2476 8.2811 8.2811 k = 0.0000 0.0000 0.1134 ( 3476 PWs) bands (ev): -23.1294 -23.1294 -10.2737 -10.2737 -7.8374 -7.8374 -7.0159 -7.0159 -6.8902 -6.8902 -2.5812 -2.5812 -1.0000 -1.0000 0.5881 0.5881 0.6471 0.6471 1.3050 1.3050 1.3974 1.3974 1.4928 1.4928 1.5775 1.5775 1.6841 1.6841 7.2117 7.2117 7.8541 7.8541 8.1352 8.1352 8.1698 8.1698 k = 0.0000 0.0000 0.1276 ( 3472 PWs) bands (ev): -23.1293 -23.1293 -10.2705 -10.2705 -7.8386 -7.8386 -7.0178 -7.0178 -6.8900 -6.8900 -2.6602 -2.6602 -0.9016 -0.9016 0.5466 0.5466 0.6058 0.6058 1.3194 1.3194 1.4119 1.4119 1.5438 1.5438 1.6221 1.6221 1.6859 1.6859 7.2253 7.2253 7.8661 7.8661 8.0214 8.0214 8.0569 8.0569 k = 0.0000 0.0000 0.1417 ( 3476 PWs) bands (ev): -23.1292 -23.1292 -10.2670 -10.2670 -7.8398 -7.8398 -7.0200 -7.0200 -6.8897 -6.8897 -2.7372 -2.7372 -0.8032 -0.8032 0.5065 0.5065 0.5659 0.5659 1.3306 1.3306 1.4211 1.4211 1.5987 1.5987 1.6652 1.6652 1.6949 1.6949 7.2399 7.2399 7.8794 7.8794 7.9074 7.9074 7.9436 7.9436 k = 0.0000 0.0000 0.1559 ( 3476 PWs) bands (ev): -23.1291 -23.1291 -10.2632 -10.2632 -7.8412 -7.8412 -7.0222 -7.0222 -6.8895 -6.8895 -2.8120 -2.8120 -0.7053 -0.7053 0.4679 0.4679 0.5274 0.5274 1.3400 1.3400 1.4273 1.4273 1.6558 1.6558 1.6789 1.6789 1.7369 1.7369 7.2554 7.2554 7.7940 7.7940 7.8306 7.8306 7.8938 7.8938 k = 0.0000 0.0000 0.1701 ( 3476 PWs) bands (ev): -23.1290 -23.1290 -10.2593 -10.2593 -7.8427 -7.8427 -7.0246 -7.0246 -6.8892 -6.8892 -2.8843 -2.8843 -0.6082 -0.6082 0.4310 0.4310 0.4905 0.4905 1.3485 1.3485 1.4315 1.4315 1.6812 1.6812 1.7142 1.7142 1.7923 1.7923 7.2715 7.2715 7.6818 7.6818 7.7188 7.7188 7.9092 7.9092 k = 0.0000 0.0000 0.1843 ( 3476 PWs) bands (ev): -23.1289 -23.1289 -10.2551 -10.2551 -7.8442 -7.8442 -7.0270 -7.0270 -6.8889 -6.8889 -2.9541 -2.9541 -0.5123 -0.5123 0.3957 0.3957 0.4552 0.4552 1.3563 1.3563 1.4347 1.4347 1.6821 1.6821 1.7732 1.7732 1.8501 1.8501 7.2880 7.2880 7.5716 7.5716 7.6086 7.6086 7.9256 7.9256 k = 0.0000 0.0000 0.1984 ( 3468 PWs) bands (ev): -23.1288 -23.1288 -10.2508 -10.2508 -7.8458 -7.8458 -7.0296 -7.0296 -6.8886 -6.8886 -3.0210 -3.0210 -0.4178 -0.4178 0.3621 0.3621 0.4216 0.4216 1.3636 1.3636 1.4371 1.4371 1.6828 1.6828 1.8325 1.8325 1.9088 1.9088 7.3042 7.3042 7.4643 7.4643 7.5005 7.5005 7.9428 7.9428 k = 0.0000 0.0000 0.2126 ( 3476 PWs) bands (ev): -23.1287 -23.1287 -10.2465 -10.2465 -7.8474 -7.8474 -7.0321 -7.0321 -6.8883 -6.8883 -3.0851 -3.0851 -0.3253 -0.3253 0.3301 0.3301 0.3895 0.3895 1.3705 1.3705 1.4390 1.4390 1.6833 1.6833 1.8916 1.8916 1.9675 1.9675 7.3145 7.3145 7.3657 7.3657 7.3950 7.3950 7.9607 7.9607 k = 0.0000 0.0000 0.2268 ( 3468 PWs) bands (ev): -23.1286 -23.1286 -10.2420 -10.2420 -7.8491 -7.8491 -7.0347 -7.0347 -6.8880 -6.8880 -3.1461 -3.1461 -0.2349 -0.2349 0.2999 0.2999 0.3592 0.3592 1.3769 1.3769 1.4407 1.4407 1.6838 1.6838 1.9502 1.9502 2.0260 2.0260 7.2488 7.2488 7.2923 7.2923 7.3458 7.3458 7.9792 7.9792 k = 0.0000 0.0000 0.2410 ( 3476 PWs) bands (ev): -23.1285 -23.1285 -10.2375 -10.2375 -7.8507 -7.8507 -7.0373 -7.0373 -6.8877 -6.8877 -3.2041 -3.2041 -0.1471 -0.1471 0.2714 0.2714 0.3306 0.3306 1.3829 1.3829 1.4420 1.4420 1.6842 1.6842 2.0080 2.0080 2.0838 2.0838 7.1517 7.1517 7.1930 7.1930 7.3605 7.3605 7.9981 7.9981 k = 0.0000 0.0000 0.2551 ( 3476 PWs) bands (ev): -23.1284 -23.1284 -10.2331 -10.2331 -7.8524 -7.8524 -7.0398 -7.0398 -6.8874 -6.8874 -3.2588 -3.2588 -0.0623 -0.0623 0.2447 0.2447 0.3038 0.3038 1.3884 1.3884 1.4432 1.4432 1.6846 1.6846 2.0647 2.0647 2.1406 2.1406 7.0566 7.0566 7.0973 7.0973 7.3763 7.3763 8.0172 8.0172 k = 0.0000 0.0000 0.2693 ( 3476 PWs) bands (ev): -23.1283 -23.1283 -10.2287 -10.2287 -7.8541 -7.8541 -7.0423 -7.0423 -6.8871 -6.8871 -3.3101 -3.3101 0.0191 0.0191 0.2200 0.2200 0.2787 0.2787 1.3935 1.3935 1.4442 1.4442 1.6850 1.6850 2.1199 2.1199 2.1960 2.1960 6.9653 6.9653 7.0057 7.0057 7.3917 7.3917 8.0365 8.0365 k = 0.0000 0.0000 0.2835 ( 3476 PWs) bands (ev): -23.1282 -23.1282 -10.2245 -10.2245 -7.8557 -7.8557 -7.0447 -7.0447 -6.8868 -6.8868 -3.3580 -3.3580 0.0962 0.0962 0.1978 0.1978 0.2554 0.2554 1.3980 1.3980 1.4451 1.4451 1.6853 1.6853 2.1733 2.1733 2.2496 2.2496 6.8782 6.8782 6.9184 6.9184 7.4063 7.4063 8.0556 8.0556 k = 0.0000 0.0000 0.2976 ( 3464 PWs) bands (ev): -23.1282 -23.1282 -10.2204 -10.2204 -7.8573 -7.8573 -7.0470 -7.0470 -6.8866 -6.8866 -3.4024 -3.4024 0.1592 0.1592 0.1876 0.1876 0.2340 0.2340 1.4019 1.4019 1.4459 1.4459 1.6857 1.6857 2.2245 2.2245 2.3011 2.3011 6.7959 6.7959 6.8359 6.8359 7.4199 7.4199 8.0745 8.0745 k = 0.0000 0.0000 0.3118 ( 3464 PWs) bands (ev): -23.1281 -23.1281 -10.2165 -10.2165 -7.8588 -7.8588 -7.0491 -7.0491 -6.8863 -6.8863 -3.4432 -3.4432 0.1525 0.1525 0.2144 0.2144 0.2443 0.2443 1.4053 1.4053 1.4466 1.4466 1.6860 1.6860 2.2733 2.2733 2.3501 2.3501 6.7188 6.7188 6.7587 6.7587 7.4323 7.4323 8.0927 8.0927 k = 0.0000 0.0000 0.3260 ( 3480 PWs) bands (ev): -23.1280 -23.1280 -10.2128 -10.2128 -7.8602 -7.8602 -7.0511 -7.0511 -6.8861 -6.8861 -3.4803 -3.4803 0.1357 0.1357 0.1965 0.1965 0.3081 0.3081 1.4079 1.4079 1.4471 1.4471 1.6862 1.6862 2.3190 2.3190 2.3961 2.3961 6.6473 6.6473 6.6870 6.6870 7.4433 7.4433 8.1102 8.1102 k = 0.0000 0.0000 0.3402 ( 3484 PWs) bands (ev): -23.1279 -23.1279 -10.2094 -10.2094 -7.8615 -7.8615 -7.0530 -7.0530 -6.8858 -6.8858 -3.5137 -3.5137 0.1201 0.1201 0.1805 0.1805 0.3674 0.3674 1.4100 1.4100 1.4476 1.4476 1.6864 1.6864 2.3615 2.3615 2.4389 2.4389 6.5818 6.5818 6.6213 6.6213 7.4530 7.4530 8.1268 8.1268 k = 0.0000 0.0000 0.3543 ( 3472 PWs) bands (ev): -23.1278 -23.1278 -10.2063 -10.2063 -7.8627 -7.8627 -7.0547 -7.0547 -6.8856 -6.8856 -3.5433 -3.5433 0.1063 0.1063 0.1664 0.1664 0.4212 0.4212 1.4115 1.4115 1.4481 1.4481 1.6867 1.6867 2.4002 2.4002 2.4779 2.4779 6.5227 6.5227 6.5620 6.5620 7.4613 7.4613 8.1420 8.1420 k = 0.0000 0.0000 0.3685 ( 3472 PWs) bands (ev): -23.1278 -23.1278 -10.2036 -10.2036 -7.8637 -7.8637 -7.0561 -7.0561 -6.8855 -6.8855 -3.5691 -3.5691 0.0941 0.0941 0.1541 0.1541 0.4690 0.4690 1.4125 1.4125 1.4485 1.4485 1.6869 1.6869 2.4348 2.4348 2.5128 2.5128 6.4705 6.4705 6.5097 6.5097 7.4683 7.4683 8.1558 8.1558 k = 0.0000 0.0000 0.3827 ( 3460 PWs) bands (ev): -23.1277 -23.1277 -10.2012 -10.2012 -7.8647 -7.8647 -7.0574 -7.0574 -6.8853 -6.8853 -3.5909 -3.5909 0.0839 0.0839 0.1438 0.1438 0.5104 0.5104 1.4131 1.4131 1.4489 1.4489 1.6871 1.6871 2.4649 2.4649 2.5431 2.5431 6.4255 6.4255 6.4645 6.4645 7.4739 7.4739 8.1680 8.1680 k = 0.0000 0.0000 0.3969 ( 3460 PWs) bands (ev): -23.1277 -23.1277 -10.1992 -10.1992 -7.8654 -7.8654 -7.0585 -7.0585 -6.8852 -6.8852 -3.6089 -3.6089 0.0754 0.0754 0.1353 0.1353 0.5449 0.5449 1.4133 1.4133 1.4492 1.4492 1.6872 1.6872 2.4900 2.4900 2.5685 2.5685 6.3881 6.3881 6.4270 6.4270 7.4783 7.4783 8.1782 8.1782 k = 0.0000 0.0000 0.4110 ( 3460 PWs) bands (ev): -23.1276 -23.1276 -10.1977 -10.1977 -7.8660 -7.8660 -7.0593 -7.0593 -6.8851 -6.8851 -3.6229 -3.6229 0.0688 0.0688 0.1287 0.1287 0.5722 0.5722 1.4133 1.4133 1.4494 1.4494 1.6873 1.6873 2.5100 2.5100 2.5886 2.5886 6.3587 6.3587 6.3974 6.3974 7.4816 7.4816 8.1864 8.1864 k = 0.0000 0.0000 0.4252 ( 3452 PWs) bands (ev): -23.1276 -23.1276 -10.1965 -10.1965 -7.8665 -7.8665 -7.0599 -7.0599 -6.8850 -6.8850 -3.6329 -3.6329 0.0642 0.0642 0.1240 0.1240 0.5919 0.5919 1.4132 1.4132 1.4496 1.4496 1.6875 1.6875 2.5244 2.5244 2.6032 2.6032 6.3375 6.3375 6.3761 6.3761 7.4839 7.4839 8.1923 8.1923 k = 0.0000 0.0000 0.4394 ( 3448 PWs) bands (ev): -23.1276 -23.1276 -10.1958 -10.1958 -7.8668 -7.8668 -7.0603 -7.0603 -6.8850 -6.8850 -3.6389 -3.6389 0.0613 0.0613 0.1211 0.1211 0.6039 0.6039 1.4131 1.4131 1.4497 1.4497 1.6875 1.6875 2.5332 2.5332 2.6120 2.6120 6.3246 6.3246 6.3632 6.3632 7.4852 7.4852 8.1959 8.1959 k = 0.0000 0.0000 0.4536 ( 3436 PWs) bands (ev): -23.1276 -23.1276 -10.1956 -10.1956 -7.8668 -7.8668 -7.0604 -7.0604 -6.8849 -6.8849 -3.6409 -3.6409 0.0604 0.0604 0.1202 0.1202 0.6079 0.6079 1.4131 1.4131 1.4498 1.4498 1.6876 1.6876 2.5362 2.5362 2.6151 2.6151 6.3204 6.3204 6.3589 6.3589 7.4857 7.4857 8.1971 8.1972 k = 0.0000 0.0000 0.4536 ( 3436 PWs) bands (ev): -23.1276 -23.1276 -10.1956 -10.1956 -7.8668 -7.8668 -7.0604 -7.0604 -6.8849 -6.8849 -3.6409 -3.6409 0.0604 0.0604 0.1202 0.1202 0.6079 0.6079 1.4131 1.4131 1.4498 1.4498 1.6876 1.6876 2.5362 2.5362 2.6151 2.6151 6.3204 6.3204 6.3589 6.3589 7.4857 7.4857 8.1971 8.1971 k = 0.0000 0.0139 0.4536 ( 3446 PWs) bands (ev): -23.1276 -23.1276 -10.1958 -10.1958 -7.8667 -7.8667 -7.0603 -7.0603 -6.8848 -6.8848 -3.6409 -3.6409 0.0597 0.0597 0.1194 0.1194 0.6085 0.6085 1.4134 1.4134 1.4498 1.4498 1.6875 1.6875 2.5357 2.5357 2.6145 2.6145 6.3179 6.3179 6.3569 6.3569 7.4892 7.4892 8.1999 8.1999 k = 0.0000 0.0278 0.4536 ( 3450 PWs) bands (ev): -23.1275 -23.1275 -10.1965 -10.1965 -7.8664 -7.8664 -7.0599 -7.0599 -6.8844 -6.8844 -3.6410 -3.6410 0.0577 0.0577 0.1173 0.1173 0.6101 0.6101 1.4144 1.4144 1.4498 1.4498 1.6875 1.6875 2.5342 2.5342 2.6131 2.6131 6.3082 6.3082 6.3537 6.3537 7.4995 7.4995 8.2081 8.2081 k = 0.0000 0.0417 0.4536 ( 3450 PWs) bands (ev): -23.1275 -23.1275 -10.1975 -10.1975 -7.8658 -7.8658 -7.0593 -7.0593 -6.8838 -6.8838 -3.6412 -3.6412 0.0543 0.0543 0.1138 0.1138 0.6129 0.6129 1.4160 1.4160 1.4500 1.4500 1.6874 1.6874 2.5319 2.5319 2.6108 2.6108 6.2875 6.2875 6.3537 6.3537 7.5161 7.5161 8.2218 8.2218 k = 0.0000 0.0556 0.4536 ( 3452 PWs) bands (ev): -23.1273 -23.1273 -10.1990 -10.1990 -7.8649 -7.8649 -7.0584 -7.0584 -6.8830 -6.8830 -3.6415 -3.6415 0.0494 0.0494 0.1091 0.1091 0.6166 0.6166 1.4182 1.4182 1.4503 1.4503 1.6873 1.6873 2.5286 2.5286 2.6076 2.6076 6.2560 6.2560 6.3574 6.3574 7.5379 7.5379 8.2409 8.2409 k = 0.0000 0.0694 0.4536 ( 3450 PWs) bands (ev): -23.1272 -23.1272 -10.2009 -10.2009 -7.8639 -7.8639 -7.0574 -7.0574 -6.8819 -6.8819 -3.6418 -3.6418 0.0429 0.0429 0.1036 0.1036 0.6212 0.6212 1.4209 1.4209 1.4509 1.4509 1.6873 1.6873 2.5244 2.5244 2.6037 2.6037 6.2160 6.2160 6.3641 6.3641 7.5641 7.5641 8.2653 8.2653 k = 0.0000 0.0833 0.4536 ( 3444 PWs) bands (ev): -23.1270 -23.1270 -10.2031 -10.2031 -7.8626 -7.8626 -7.0560 -7.0560 -6.8805 -6.8805 -3.6421 -3.6421 0.0349 0.0349 0.0973 0.0973 0.6266 0.6266 1.4239 1.4239 1.4518 1.4518 1.6872 1.6872 2.5193 2.5193 2.5991 2.5991 6.1690 6.1690 6.3729 6.3729 7.5936 7.5936 8.2950 8.2950 k = 0.0000 0.0972 0.4536 ( 3446 PWs) bands (ev): -23.1268 -23.1268 -10.2058 -10.2058 -7.8611 -7.8611 -7.0545 -7.0545 -6.8790 -6.8790 -3.6426 -3.6426 0.0252 0.0252 0.0906 0.0906 0.6326 0.6326 1.4269 1.4269 1.4534 1.4534 1.6871 1.6871 2.5133 2.5133 2.5938 2.5938 6.1166 6.1166 6.3837 6.3837 7.6256 7.6256 8.3299 8.3299 k = 0.0000 0.1111 0.4536 ( 3446 PWs) bands (ev): -23.1266 -23.1266 -10.2088 -10.2088 -7.8594 -7.8594 -7.0528 -7.0528 -6.8772 -6.8772 -3.6431 -3.6431 0.0138 0.0138 0.0835 0.0835 0.6392 0.6392 1.4296 1.4296 1.4558 1.4558 1.6871 1.6871 2.5065 2.5065 2.5880 2.5880 6.0598 6.0598 6.3963 6.3963 7.6593 7.6593 8.3699 8.3699 k = 0.0000 0.1250 0.4536 ( 3446 PWs) bands (ev): -23.1263 -23.1263 -10.2121 -10.2121 -7.8575 -7.8575 -7.0509 -7.0509 -6.8752 -6.8752 -3.6436 -3.6436 0.0010 0.0010 0.0762 0.0762 0.6463 0.6463 1.4318 1.4318 1.4593 1.4593 1.6871 1.6871 2.4990 2.4990 2.5818 2.5818 5.9997 5.9997 6.4105 6.4105 7.6940 7.6940 8.4148 8.4148 k = 0.0000 0.1389 0.4536 ( 3448 PWs) bands (ev): -23.1260 -23.1260 -10.2157 -10.2157 -7.8555 -7.8555 -7.0488 -7.0488 -6.8731 -6.8731 -3.6442 -3.6442 -0.0131 -0.0131 0.0687 0.0687 0.6536 0.6536 1.4333 1.4333 1.4640 1.4640 1.6872 1.6872 2.4907 2.4907 2.5753 2.5753 5.9370 5.9370 6.4262 6.4262 7.7293 7.7293 8.4645 8.4645 k = 0.0000 0.1528 0.4536 ( 3452 PWs) bands (ev): -23.1257 -23.1257 -10.2195 -10.2195 -7.8533 -7.8533 -7.0465 -7.0465 -6.8708 -6.8708 -3.6448 -3.6448 -0.0285 -0.0285 0.0611 0.0611 0.6612 0.6612 1.4342 1.4342 1.4698 1.4698 1.6873 1.6873 2.4817 2.4817 2.5686 2.5686 5.8725 5.8725 6.4434 6.4434 7.7647 7.7647 8.5187 8.5187 k = 0.0000 0.1667 0.4536 ( 3450 PWs) bands (ev): -23.1254 -23.1254 -10.2236 -10.2236 -7.8509 -7.8509 -7.0441 -7.0441 -6.8683 -6.8683 -3.6455 -3.6455 -0.0449 -0.0449 0.0533 0.0533 0.6689 0.6689 1.4345 1.4345 1.4767 1.4767 1.6877 1.6877 2.4722 2.4722 2.5616 2.5616 5.8067 5.8067 6.4620 6.4620 7.8000 7.8000 8.5772 8.5772 k = 0.0000 0.1806 0.4536 ( 3454 PWs) bands (ev): -23.1251 -23.1251 -10.2280 -10.2280 -7.8485 -7.8485 -7.0415 -7.0415 -6.8657 -6.8657 -3.6462 -3.6462 -0.0620 -0.0620 0.0453 0.0453 0.6766 0.6766 1.4345 1.4345 1.4841 1.4841 1.6882 1.6882 2.4622 2.4622 2.5546 2.5546 5.7403 5.7403 6.4818 6.4818 7.8349 7.8349 8.6398 8.6398 k = 0.0000 0.1944 0.4536 ( 3456 PWs) bands (ev): -23.1247 -23.1247 -10.2324 -10.2324 -7.8459 -7.8459 -7.0389 -7.0389 -6.8630 -6.8630 -3.6470 -3.6470 -0.0797 -0.0797 0.0373 0.0373 0.6844 0.6844 1.4342 1.4342 1.4921 1.4921 1.6889 1.6889 2.4519 2.4519 2.5475 2.5475 5.6737 5.6737 6.5027 6.5027 7.8692 7.8692 8.7061 8.7061 k = 0.0000 0.2083 0.4536 ( 3464 PWs) bands (ev): -23.1244 -23.1244 -10.2371 -10.2371 -7.8433 -7.8433 -7.0362 -7.0362 -6.8602 -6.8602 -3.6478 -3.6478 -0.0978 -0.0978 0.0291 0.0291 0.6921 0.6921 1.4337 1.4337 1.5004 1.5004 1.6898 1.6898 2.4413 2.4413 2.5404 2.5404 5.6073 5.6073 6.5248 6.5248 7.9029 7.9029 8.7756 8.7756 k = 0.0000 0.2222 0.4536 ( 3468 PWs) bands (ev): -23.1240 -23.1240 -10.2418 -10.2418 -7.8406 -7.8406 -7.0334 -7.0334 -6.8573 -6.8573 -3.6486 -3.6486 -0.1162 -0.1162 0.0209 0.0209 0.6996 0.6996 1.4332 1.4332 1.5089 1.5089 1.6911 1.6911 2.4306 2.4306 2.5334 2.5334 5.5415 5.5415 6.5477 6.5477 7.9358 7.9358 8.8480 8.8480 k = 0.0000 0.2361 0.4536 ( 3472 PWs) bands (ev): -23.1236 -23.1236 -10.2466 -10.2466 -7.8379 -7.8379 -7.0305 -7.0305 -6.8544 -6.8544 -3.6495 -3.6495 -0.1347 -0.1347 0.0126 0.0126 0.7070 0.7070 1.4325 1.4325 1.5175 1.5175 1.6928 1.6928 2.4198 2.4198 2.5265 2.5265 5.4766 5.4766 6.5715 6.5715 7.9679 7.9679 8.9227 8.9227 k = 0.0000 0.2500 0.4536 ( 3468 PWs) bands (ev): -23.1232 -23.1232 -10.2514 -10.2514 -7.8351 -7.8351 -7.0276 -7.0276 -6.8514 -6.8514 -3.6504 -3.6504 -0.1532 -0.1532 0.0043 0.0043 0.7142 0.7142 1.4318 1.4318 1.5260 1.5260 1.6948 1.6948 2.4092 2.4092 2.5197 2.5197 5.4131 5.4131 6.5959 6.5959 7.9991 7.9991 8.9990 8.9990 k = 0.0000 0.2639 0.4536 ( 3472 PWs) bands (ev): -23.1229 -23.1229 -10.2562 -10.2562 -7.8323 -7.8323 -7.0248 -7.0248 -6.8484 -6.8484 -3.6512 -3.6512 -0.1715 -0.1715 -0.0039 -0.0039 0.7211 0.7211 1.4310 1.4310 1.5342 1.5342 1.6974 1.6974 2.3986 2.3986 2.5131 2.5131 5.3511 5.3511 6.6208 6.6208 8.0292 8.0292 9.0762 9.0762 k = 0.0000 0.2778 0.4536 ( 3476 PWs) bands (ev): -23.1225 -23.1225 -10.2609 -10.2609 -7.8296 -7.8296 -7.0219 -7.0219 -6.8454 -6.8454 -3.6521 -3.6521 -0.1895 -0.1895 -0.0121 -0.0121 0.7277 0.7277 1.4303 1.4303 1.5421 1.5421 1.7005 1.7005 2.3883 2.3883 2.5066 2.5066 5.2910 5.2910 6.6460 6.6460 8.0583 8.0583 9.1535 9.1535 k = 0.0000 0.2917 0.4536 ( 3472 PWs) bands (ev): -23.1221 -23.1221 -10.2656 -10.2656 -7.8269 -7.8269 -7.0191 -7.0191 -6.8425 -6.8425 -3.6530 -3.6530 -0.2071 -0.2071 -0.0200 -0.0200 0.7341 0.7341 1.4295 1.4295 1.5495 1.5495 1.7042 1.7042 2.3784 2.3784 2.5004 2.5004 5.2330 5.2330 6.6713 6.6713 8.0864 8.0864 9.2301 9.2301 k = 0.0000 0.3056 0.4536 ( 3484 PWs) bands (ev): -23.1217 -23.1217 -10.2702 -10.2702 -7.8243 -7.8243 -7.0163 -7.0163 -6.8396 -6.8396 -3.6538 -3.6538 -0.2241 -0.2241 -0.0278 -0.0278 0.7401 0.7401 1.4286 1.4286 1.5563 1.5563 1.7083 1.7083 2.3688 2.3688 2.4945 2.4945 5.1774 5.1774 6.6966 6.6966 8.1132 8.1132 9.3052 9.3052 k = 0.0000 0.3194 0.4536 ( 3484 PWs) bands (ev): -23.1214 -23.1214 -10.2746 -10.2746 -7.8218 -7.8218 -7.0137 -7.0137 -6.8368 -6.8368 -3.6546 -3.6546 -0.2405 -0.2405 -0.0353 -0.0353 0.7458 0.7458 1.4279 1.4279 1.5625 1.5625 1.7130 1.7130 2.3597 2.3597 2.4888 2.4888 5.1244 5.1244 6.7216 6.7216 8.1388 8.1388 9.3780 9.3780 k = 0.0000 0.3333 0.4536 ( 3484 PWs) bands (ev): -23.1211 -23.1211 -10.2788 -10.2788 -7.8193 -7.8193 -7.0111 -7.0111 -6.8342 -6.8342 -3.6554 -3.6554 -0.2560 -0.2560 -0.0425 -0.0425 0.7511 0.7511 1.4271 1.4271 1.5680 1.5680 1.7182 1.7182 2.3511 2.3511 2.4835 2.4835 5.0743 5.0743 6.7462 6.7462 8.1631 8.1631 9.4478 9.4478 k = 0.0000 0.3472 0.4536 ( 3488 PWs) bands (ev): -23.1207 -23.1207 -10.2828 -10.2828 -7.8170 -7.8170 -7.0087 -7.0087 -6.8316 -6.8316 -3.6562 -3.6562 -0.2708 -0.2708 -0.0494 -0.0494 0.7560 0.7560 1.4264 1.4264 1.5728 1.5728 1.7237 1.7237 2.3431 2.3431 2.4785 2.4785 5.0273 5.0273 6.7700 6.7700 8.1859 8.1859 9.5139 9.5139 k = 0.0000 0.3611 0.4536 ( 3484 PWs) bands (ev): -23.1204 -23.1204 -10.2866 -10.2866 -7.8148 -7.8148 -7.0064 -7.0064 -6.8292 -6.8292 -3.6569 -3.6569 -0.2845 -0.2845 -0.0558 -0.0558 0.7606 0.7606 1.4257 1.4257 1.5769 1.5769 1.7295 1.7295 2.3356 2.3356 2.4739 2.4739 4.9836 4.9836 6.7929 6.7929 8.2073 8.2073 9.5759 9.5759 k = 0.0000 0.3750 0.4536 ( 3488 PWs) bands (ev): -23.1202 -23.1202 -10.2901 -10.2901 -7.8128 -7.8128 -7.0042 -7.0042 -6.8269 -6.8269 -3.6576 -3.6576 -0.2973 -0.2973 -0.0618 -0.0618 0.7647 0.7647 1.4250 1.4250 1.5804 1.5804 1.7353 1.7353 2.3288 2.3288 2.4696 2.4696 4.9433 4.9433 6.8146 6.8146 8.2270 8.2270 9.6333 9.6333 k = 0.0000 0.3889 0.4536 ( 3488 PWs) bands (ev): -23.1199 -23.1199 -10.2933 -10.2933 -7.8110 -7.8110 -7.0023 -7.0023 -6.8248 -6.8248 -3.6582 -3.6582 -0.3089 -0.3089 -0.0673 -0.0673 0.7684 0.7684 1.4244 1.4244 1.5833 1.5833 1.7411 1.7411 2.3227 2.3227 2.4658 2.4658 4.9068 4.9068 6.8349 6.8349 8.2451 8.2451 9.6856 9.6856 k = 0.0000 0.4028 0.4536 ( 3482 PWs) bands (ev): -23.1197 -23.1197 -10.2962 -10.2962 -7.8093 -7.8093 -7.0005 -7.0005 -6.8230 -6.8230 -3.6587 -3.6587 -0.3193 -0.3193 -0.0722 -0.0722 0.7718 0.7718 1.4239 1.4239 1.5857 1.5857 1.7466 1.7466 2.3173 2.3173 2.4624 2.4624 4.8741 4.8741 6.8534 6.8534 8.2613 8.2613 9.7325 9.7325 k = 0.0000 0.4167 0.4536 ( 3482 PWs) bands (ev): -23.1195 -23.1195 -10.2987 -10.2987 -7.8078 -7.8078 -6.9989 -6.9989 -6.8213 -6.8213 -3.6592 -3.6592 -0.3284 -0.3284 -0.0765 -0.0765 0.7746 0.7746 1.4234 1.4234 1.5876 1.5876 1.7518 1.7518 2.3125 2.3125 2.4594 2.4594 4.8454 4.8454 6.8701 6.8701 8.2756 8.2756 9.7737 9.7737 k = 0.0000 0.4306 0.4536 ( 3490 PWs) bands (ev): -23.1193 -23.1193 -10.3009 -10.3009 -7.8066 -7.8066 -6.9976 -6.9976 -6.8199 -6.8199 -3.6596 -3.6596 -0.3363 -0.3363 -0.0803 -0.0803 0.7771 0.7771 1.4230 1.4230 1.5891 1.5891 1.7563 1.7563 2.3085 2.3085 2.4569 2.4569 4.8208 4.8208 6.8846 6.8846 8.2880 8.2880 9.8089 9.8089 k = 0.0000 0.4444 0.4536 ( 3494 PWs) bands (ev): -23.1191 -23.1191 -10.3027 -10.3027 -7.8055 -7.8055 -6.9965 -6.9965 -6.8187 -6.8187 -3.6600 -3.6600 -0.3428 -0.3428 -0.0834 -0.0834 0.7791 0.7791 1.4226 1.4226 1.5903 1.5903 1.7602 1.7602 2.3052 2.3052 2.4548 2.4548 4.8005 4.8005 6.8968 6.8968 8.2982 8.2982 9.8380 9.8380 k = 0.0000 0.4583 0.4536 ( 3494 PWs) bands (ev): -23.1190 -23.1190 -10.3041 -10.3041 -7.8047 -7.8047 -6.9956 -6.9956 -6.8178 -6.8178 -3.6603 -3.6603 -0.3479 -0.3479 -0.0858 -0.0858 0.7807 0.7807 1.4224 1.4224 1.5912 1.5912 1.7634 1.7634 2.3026 2.3026 2.4531 2.4531 4.7847 4.7847 6.9065 6.9065 8.3062 8.3062 9.8608 9.8608 k = 0.0000 0.4722 0.4536 ( 3492 PWs) bands (ev): -23.1189 -23.1189 -10.3052 -10.3052 -7.8041 -7.8041 -6.9950 -6.9950 -6.8171 -6.8171 -3.6605 -3.6605 -0.3515 -0.3515 -0.0875 -0.0875 0.7818 0.7818 1.4222 1.4222 1.5918 1.5918 1.7658 1.7658 2.3007 2.3007 2.4520 2.4520 4.7732 4.7732 6.9135 6.9135 8.3120 8.3120 9.8772 9.8772 k = 0.0000 0.4861 0.4536 ( 3480 PWs) bands (ev): -23.1189 -23.1189 -10.3058 -10.3058 -7.8037 -7.8037 -6.9946 -6.9946 -6.8167 -6.8167 -3.6606 -3.6606 -0.3537 -0.3537 -0.0886 -0.0886 0.7825 0.7825 1.4221 1.4221 1.5922 1.5922 1.7673 1.7673 2.2996 2.2996 2.4513 2.4513 4.7664 4.7664 6.9178 6.9178 8.3155 8.3155 9.8870 9.8870 k = 0.0000 0.5000 0.4536 ( 3476 PWs) bands (ev): -23.1189 -23.1189 -10.3060 -10.3060 -7.8036 -7.8036 -6.9945 -6.9945 -6.8166 -6.8166 -3.6606 -3.6606 -0.3544 -0.3544 -0.0889 -0.0889 0.7827 0.7827 1.4221 1.4221 1.5924 1.5924 1.7678 1.7678 2.2993 2.2993 2.4510 2.4510 4.7641 4.7641 6.9192 6.9192 8.3167 8.3167 9.8903 9.8903 k = 0.0000 0.5000 0.4536 ( 3476 PWs) bands (ev): -23.1189 -23.1189 -10.3060 -10.3060 -7.8036 -7.8036 -6.9945 -6.9945 -6.8166 -6.8166 -3.6606 -3.6606 -0.3544 -0.3544 -0.0889 -0.0889 0.7827 0.7827 1.4221 1.4221 1.5924 1.5924 1.7678 1.7678 2.2993 2.2993 2.4510 2.4510 4.7641 4.7641 6.9192 6.9192 8.3167 8.3167 9.8903 9.8903 k = 0.0139 0.5000 0.4536 ( 3484 PWs) bands (ev): -23.1189 -23.1189 -10.3057 -10.3057 -7.8038 -7.8038 -6.9947 -6.9947 -6.8171 -6.8171 -3.6605 -3.6605 -0.3537 -0.3537 -0.0888 -0.0888 0.7827 0.7827 1.4223 1.4223 1.5926 1.5926 1.7678 1.7678 2.2996 2.2996 2.4511 2.4511 4.7638 4.7638 6.9089 6.9089 8.3267 8.3267 9.8920 9.8920 k = 0.0278 0.5000 0.4536 ( 3488 PWs) bands (ev): -23.1188 -23.1188 -10.3050 -10.3050 -7.8044 -7.8044 -6.9954 -6.9954 -6.8186 -6.8186 -3.6600 -3.6600 -0.3516 -0.3516 -0.0883 -0.0883 0.7827 0.7827 1.4229 1.4229 1.5932 1.5932 1.7680 1.7680 2.3006 2.3006 2.4515 2.4515 4.7630 4.7630 6.8788 6.8788 8.3558 8.3558 9.8972 9.8972 k = 0.0417 0.5000 0.4536 ( 3496 PWs) bands (ev): -23.1187 -23.1187 -10.3038 -10.3038 -7.8054 -7.8054 -6.9964 -6.9964 -6.8211 -6.8211 -3.6592 -3.6592 -0.3480 -0.3480 -0.0874 -0.0874 0.7828 0.7828 1.4240 1.4240 1.5943 1.5943 1.7682 1.7682 2.3022 2.3022 2.4522 2.4522 4.7616 4.7616 6.8313 6.8313 8.4016 8.4016 9.9057 9.9057 k = 0.0556 0.5000 0.4536 ( 3504 PWs) bands (ev): -23.1186 -23.1186 -10.3021 -10.3021 -7.8067 -7.8067 -6.9980 -6.9980 -6.8246 -6.8246 -3.6581 -3.6581 -0.3431 -0.3431 -0.0863 -0.0863 0.7828 0.7828 1.4255 1.4255 1.5958 1.5958 1.7685 1.7685 2.3044 2.3044 2.4530 2.4530 4.7596 4.7596 6.7696 6.7696 8.4610 8.4610 9.9177 9.9177 k = 0.0694 0.5000 0.4536 ( 3500 PWs) bands (ev): -23.1185 -23.1185 -10.3000 -10.3000 -7.8084 -7.8084 -6.9999 -6.9999 -6.8290 -6.8290 -3.6567 -3.6567 -0.3369 -0.3369 -0.0848 -0.0848 0.7829 0.7829 1.4274 1.4274 1.5979 1.5979 1.7691 1.7691 2.3073 2.3073 2.4542 2.4542 4.7571 4.7571 6.6968 6.6968 8.5307 8.5307 9.9330 9.9330 k = 0.0833 0.5000 0.4536 ( 3500 PWs) bands (ev): -23.1184 -23.1184 -10.2974 -10.2974 -7.8106 -7.8106 -7.0021 -7.0021 -6.8343 -6.8343 -3.6550 -3.6550 -0.3294 -0.3294 -0.0831 -0.0831 0.7829 0.7829 1.4297 1.4297 1.6005 1.6005 1.7697 1.7697 2.3107 2.3107 2.4555 2.4555 4.7541 4.7541 6.6157 6.6157 8.6079 8.6079 9.9515 9.9515 k = 0.0972 0.5000 0.4536 ( 3500 PWs) bands (ev): -23.1182 -23.1182 -10.2943 -10.2943 -7.8130 -7.8130 -7.0048 -7.0048 -6.8404 -6.8404 -3.6531 -3.6531 -0.3206 -0.3206 -0.0810 -0.0810 0.7830 0.7830 1.4322 1.4322 1.6036 1.6036 1.7705 1.7705 2.3148 2.3148 2.4571 2.4571 4.7506 4.7506 6.5286 6.5286 8.6905 8.6905 9.9723 9.9723 k = 0.1111 0.5000 0.4536 ( 3504 PWs) bands (ev): -23.1180 -23.1180 -10.2909 -10.2909 -7.8159 -7.8159 -7.0077 -7.0077 -6.8474 -6.8474 -3.6508 -3.6508 -0.3108 -0.3108 -0.0787 -0.0787 0.7831 0.7831 1.4349 1.4349 1.6072 1.6072 1.7715 1.7715 2.3194 2.3194 2.4589 2.4589 4.7466 4.7466 6.4372 6.4372 8.7764 8.7764 9.9379 9.9379 k = 0.1250 0.5000 0.4536 ( 3508 PWs) bands (ev): -23.1177 -23.1177 -10.2870 -10.2870 -7.8191 -7.8191 -7.0109 -7.0109 -6.8552 -6.8552 -3.6483 -3.6483 -0.2999 -0.2999 -0.0761 -0.0761 0.7832 0.7832 1.4378 1.4378 1.6115 1.6115 1.7727 1.7727 2.3246 2.3246 2.4609 2.4609 4.7421 4.7421 6.3430 6.3430 8.8645 8.8645 9.8933 9.8933 k = 0.1389 0.5000 0.4536 ( 3500 PWs) bands (ev): -23.1175 -23.1175 -10.2828 -10.2828 -7.8226 -7.8226 -7.0144 -7.0144 -6.8636 -6.8636 -3.6456 -3.6456 -0.2881 -0.2881 -0.0733 -0.0733 0.7833 0.7833 1.4407 1.4407 1.6163 1.6163 1.7741 1.7741 2.3303 2.3303 2.4631 2.4631 4.7372 4.7372 6.2471 6.2471 8.9534 8.9534 9.8505 9.8505 k = 0.1528 0.5000 0.4536 ( 3500 PWs) bands (ev): -23.1172 -23.1172 -10.2782 -10.2782 -7.8264 -7.8264 -7.0181 -7.0181 -6.8727 -6.8727 -3.6427 -3.6427 -0.2754 -0.2754 -0.0703 -0.0703 0.7834 0.7834 1.4437 1.4437 1.6217 1.6217 1.7759 1.7759 2.3365 2.3365 2.4655 2.4655 4.7318 4.7318 6.1502 6.1502 9.0424 9.0424 9.8097 9.8097 k = 0.1667 0.5000 0.4536 ( 3496 PWs) bands (ev): -23.1169 -23.1169 -10.2733 -10.2733 -7.8305 -7.8305 -7.0219 -7.0219 -6.8823 -6.8823 -3.6396 -3.6396 -0.2621 -0.2621 -0.0671 -0.0671 0.7836 0.7836 1.4466 1.4466 1.6277 1.6277 1.7779 1.7779 2.3431 2.3431 2.4681 2.4681 4.7261 4.7261 6.0532 6.0532 9.1308 9.1308 9.7711 9.7711 k = 0.1806 0.5000 0.4536 ( 3496 PWs) bands (ev): -23.1166 -23.1166 -10.2682 -10.2682 -7.8350 -7.8350 -7.0259 -7.0259 -6.8924 -6.8924 -3.6363 -3.6363 -0.2481 -0.2481 -0.0638 -0.0638 0.7837 0.7837 1.4494 1.4494 1.6341 1.6341 1.7804 1.7804 2.3501 2.3501 2.4708 2.4708 4.7200 4.7200 5.9565 5.9565 9.2181 9.2181 9.7346 9.7346 k = 0.1944 0.5000 0.4536 ( 3496 PWs) bands (ev): -23.1163 -23.1163 -10.2628 -10.2628 -7.8396 -7.8396 -7.0300 -7.0300 -6.9029 -6.9029 -3.6329 -3.6329 -0.2336 -0.2336 -0.0603 -0.0603 0.7839 0.7839 1.4521 1.4521 1.6409 1.6409 1.7834 1.7834 2.3575 2.3575 2.4737 2.4737 4.7136 4.7136 5.8608 5.8608 9.3039 9.3039 9.7005 9.7005 k = 0.2083 0.5000 0.4536 ( 3504 PWs) bands (ev): -23.1160 -23.1160 -10.2572 -10.2572 -7.8445 -7.8445 -7.0341 -7.0341 -6.9137 -6.9137 -3.6294 -3.6294 -0.2188 -0.2188 -0.0567 -0.0567 0.7840 0.7840 1.4545 1.4545 1.6480 1.6480 1.7869 1.7869 2.3652 2.3652 2.4767 2.4767 4.7070 4.7070 5.7663 5.7663 9.3879 9.3879 9.6687 9.6687 k = 0.2222 0.5000 0.4536 ( 3492 PWs) bands (ev): -23.1157 -23.1157 -10.2514 -10.2514 -7.8496 -7.8496 -7.0382 -7.0382 -6.9248 -6.9248 -3.6257 -3.6257 -0.2037 -0.2037 -0.0531 -0.0531 0.7842 0.7842 1.4568 1.4568 1.6554 1.6554 1.7911 1.7911 2.3732 2.3732 2.4798 2.4798 4.7001 4.7001 5.6736 5.6736 9.4698 9.4698 9.6391 9.6391 k = 0.2361 0.5000 0.4536 ( 3504 PWs) bands (ev): -23.1153 -23.1153 -10.2455 -10.2455 -7.8549 -7.8549 -7.0423 -7.0423 -6.9361 -6.9361 -3.6221 -3.6221 -0.1885 -0.1885 -0.0495 -0.0495 0.7843 0.7843 1.4589 1.4589 1.6627 1.6627 1.7961 1.7961 2.3813 2.3813 2.4830 2.4830 4.6930 4.6930 5.5828 5.5828 9.5496 9.5496 9.6119 9.6119 k = 0.2500 0.5000 0.4536 ( 3504 PWs) bands (ev): -23.1150 -23.1150 -10.2395 -10.2395 -7.8603 -7.8603 -7.0464 -7.0464 -6.9473 -6.9473 -3.6183 -3.6183 -0.1733 -0.1733 -0.0458 -0.0458 0.7845 0.7845 1.4607 1.4607 1.6699 1.6699 1.8019 1.8019 2.3895 2.3895 2.4863 2.4863 4.6859 4.6859 5.4944 5.4944 9.5869 9.5869 9.6270 9.6270 k = 0.2639 0.5000 0.4536 ( 3508 PWs) bands (ev): -23.1146 -23.1146 -10.2335 -10.2335 -7.8658 -7.8658 -7.0503 -7.0503 -6.9586 -6.9586 -3.6146 -3.6146 -0.1582 -0.1582 -0.0421 -0.0421 0.7847 0.7847 1.4623 1.4623 1.6767 1.6767 1.8087 1.8087 2.3979 2.3979 2.4897 2.4897 4.6787 4.6787 5.4086 5.4086 9.5641 9.5641 9.7021 9.7021 k = 0.2778 0.5000 0.4536 ( 3504 PWs) bands (ev): -23.1143 -23.1143 -10.2274 -10.2274 -7.8713 -7.8713 -7.0542 -7.0542 -6.9698 -6.9698 -3.6109 -3.6109 -0.1434 -0.1434 -0.0384 -0.0384 0.7849 0.7849 1.4637 1.4637 1.6831 1.6831 1.8165 1.8165 2.4062 2.4062 2.4931 2.4931 4.6714 4.6714 5.3258 5.3258 9.5435 9.5435 9.7747 9.7747 k = 0.2917 0.5000 0.4536 ( 3500 PWs) bands (ev): -23.1140 -23.1140 -10.2215 -10.2215 -7.8768 -7.8768 -7.0579 -7.0579 -6.9808 -6.9808 -3.6072 -3.6072 -0.1288 -0.1288 -0.0348 -0.0348 0.7850 0.7850 1.4650 1.4650 1.6890 1.6890 1.8252 1.8252 2.4144 2.4144 2.4966 2.4966 4.6642 4.6642 5.2460 5.2460 9.5249 9.5249 9.8449 9.8449 k = 0.3056 0.5000 0.4536 ( 3500 PWs) bands (ev): -23.1137 -23.1137 -10.2156 -10.2156 -7.8823 -7.8823 -7.0614 -7.0614 -6.9915 -6.9915 -3.6037 -3.6037 -0.1148 -0.1148 -0.0313 -0.0313 0.7852 0.7852 1.4660 1.4660 1.6942 1.6942 1.8348 1.8348 2.4225 2.4225 2.5001 2.5001 4.6572 4.6572 5.1698 5.1698 9.5083 9.5083 9.9125 9.9125 k = 0.3194 0.5000 0.4536 ( 3504 PWs) bands (ev): -23.1133 -23.1133 -10.2098 -10.2098 -7.8876 -7.8876 -7.0648 -7.0648 -7.0019 -7.0019 -3.6002 -3.6002 -0.1012 -0.1012 -0.0279 -0.0279 0.7854 0.7854 1.4669 1.4669 1.6987 1.6987 1.8452 1.8452 2.4303 2.4303 2.5036 2.5036 4.6503 4.6503 5.0972 5.0972 9.4936 9.4936 9.9777 9.9777 k = 0.3333 0.5000 0.4536 ( 3500 PWs) bands (ev): -23.1130 -23.1130 -10.2043 -10.2043 -7.8929 -7.8929 -7.0679 -7.0679 -7.0118 -7.0118 -3.5968 -3.5968 -0.0884 -0.0884 -0.0246 -0.0246 0.7855 0.7855 1.4677 1.4677 1.7026 1.7026 1.8561 1.8561 2.4378 2.4378 2.5071 2.5071 4.6435 4.6435 5.0285 5.0285 9.4807 9.4807 10.0403 10.0403 k = 0.3472 0.5000 0.4536 ( 3492 PWs) bands (ev): -23.1127 -23.1127 -10.1990 -10.1990 -7.8979 -7.8979 -7.0708 -7.0708 -7.0213 -7.0213 -3.5937 -3.5937 -0.0762 -0.0762 -0.0214 -0.0214 0.7857 0.7857 1.4683 1.4683 1.7060 1.7060 1.8674 1.8674 2.4449 2.4449 2.5105 2.5105 4.6371 4.6371 4.9641 4.9641 9.4694 9.4694 10.1002 10.1002 k = 0.3611 0.5000 0.4536 ( 3492 PWs) bands (ev): -23.1125 -23.1125 -10.1940 -10.1940 -7.9027 -7.9027 -7.0735 -7.0735 -7.0302 -7.0302 -3.5907 -3.5907 -0.0649 -0.0649 -0.0185 -0.0185 0.7858 0.7858 1.4689 1.4689 1.7088 1.7088 1.8788 1.8788 2.4516 2.4516 2.5139 2.5139 4.6310 4.6310 4.9042 4.9042 9.4597 9.4597 10.1573 10.1573 k = 0.3750 0.5000 0.4536 ( 3496 PWs) bands (ev): -23.1122 -23.1122 -10.1893 -10.1893 -7.9072 -7.9072 -7.0760 -7.0760 -7.0384 -7.0384 -3.5879 -3.5879 -0.0545 -0.0545 -0.0156 -0.0156 0.7860 0.7860 1.4692 1.4692 1.7112 1.7112 1.8901 1.8901 2.4577 2.4577 2.5172 2.5172 4.6252 4.6252 4.8491 4.8491 9.4513 9.4514 10.2113 10.2113 k = 0.3889 0.5000 0.4536 ( 3492 PWs) bands (ev): -23.1120 -23.1120 -10.1850 -10.1850 -7.9113 -7.9113 -7.0782 -7.0782 -7.0459 -7.0459 -3.5853 -3.5853 -0.0451 -0.0451 -0.0130 -0.0130 0.7861 0.7861 1.4696 1.4696 1.7132 1.7132 1.9010 1.9010 2.4633 2.4633 2.5204 2.5204 4.6198 4.6198 4.7990 4.7990 9.4443 9.4443 10.2621 10.2621 k = 0.4028 0.5000 0.4536 ( 3488 PWs) bands (ev): -23.1118 -23.1118 -10.1811 -10.1811 -7.9151 -7.9151 -7.0802 -7.0802 -7.0527 -7.0527 -3.5830 -3.5830 -0.0368 -0.0368 -0.0105 -0.0105 0.7862 0.7862 1.4699 1.4699 1.7149 1.7149 1.9113 1.9113 2.4682 2.4682 2.5234 2.5234 4.6148 4.6148 4.7542 4.7542 9.4384 9.4384 10.3091 10.3091 k = 0.4167 0.5000 0.4536 ( 3492 PWs) bands (ev): -23.1116 -23.1116 -10.1776 -10.1776 -7.9185 -7.9185 -7.0819 -7.0819 -7.0587 -7.0587 -3.5810 -3.5810 -0.0297 -0.0297 -0.0081 -0.0081 0.7863 0.7863 1.4701 1.4701 1.7163 1.7163 1.9207 1.9207 2.4725 2.4725 2.5261 2.5261 4.6102 4.6102 4.7150 4.7150 9.4336 9.4336 10.3520 10.3520 k = 0.4306 0.5000 0.4536 ( 3496 PWs) bands (ev): -23.1115 -23.1115 -10.1746 -10.1746 -7.9214 -7.9214 -7.0834 -7.0834 -7.0639 -7.0639 -3.5792 -3.5792 -0.0238 -0.0238 -0.0059 -0.0059 0.7864 0.7864 1.4702 1.4702 1.7173 1.7173 1.9291 1.9291 2.4761 2.4761 2.5285 2.5285 4.6058 4.6058 4.6818 4.6818 9.4297 9.4297 10.3901 10.3901 k = 0.4444 0.5000 0.4536 ( 3496 PWs) bands (ev): -23.1113 -23.1113 -10.1721 -10.1721 -7.9239 -7.9239 -7.0846 -7.0846 -7.0681 -7.0681 -3.5778 -3.5778 -0.0192 -0.0192 -0.0038 -0.0038 0.7865 0.7865 1.4704 1.4704 1.7182 1.7182 1.9362 1.9362 2.4791 2.4791 2.5306 2.5306 4.6015 4.6015 4.6550 4.6550 9.4266 9.4266 10.4228 10.4228 k = 0.4583 0.5000 0.4536 ( 3492 PWs) bands (ev): -23.1112 -23.1112 -10.1702 -10.1702 -7.9258 -7.9258 -7.0855 -7.0855 -7.0715 -7.0715 -3.5766 -3.5766 -0.0159 -0.0159 -0.0019 -0.0019 0.7865 0.7865 1.4705 1.4705 1.7188 1.7188 1.9420 1.9420 2.4814 2.4814 2.5323 2.5323 4.5969 4.5969 4.6352 4.6352 9.4244 9.4244 10.4493 10.4493 k = 0.4722 0.5000 0.4536 ( 3484 PWs) bands (ev): -23.1111 -23.1111 -10.1688 -10.1688 -7.9272 -7.9272 -7.0862 -7.0862 -7.0739 -7.0739 -3.5758 -3.5758 -0.0136 -0.0136 -0.0003 -0.0003 0.7866 0.7866 1.4706 1.4706 1.7193 1.7193 1.9462 1.9462 2.4831 2.4831 2.5336 2.5336 4.5919 4.5919 4.6226 4.6226 9.4228 9.4228 10.4689 10.4689 k = 0.4861 0.5000 0.4536 ( 3496 PWs) bands (ev): -23.1111 -23.1111 -10.1679 -10.1679 -7.9280 -7.9280 -7.0866 -7.0866 -7.0753 -7.0753 -3.5754 -3.5754 -0.0124 -0.0124 0.0007 0.0007 0.7866 0.7866 1.4705 1.4705 1.7196 1.7196 1.9487 1.9487 2.4841 2.4841 2.5344 2.5344 4.5877 4.5877 4.6163 4.6163 9.4218 9.4218 10.4809 10.4809 k = 0.5000 0.5000 0.4536 ( 3512 PWs) bands (ev): -23.1111 -23.1111 -10.1676 -10.1676 -7.9283 -7.9283 -7.0868 -7.0868 -7.0758 -7.0758 -3.5752 -3.5752 -0.0120 -0.0120 0.0011 0.0011 0.7866 0.7866 1.4705 1.4705 1.7196 1.7196 1.9495 1.9495 2.4843 2.4843 2.5346 2.5346 4.5860 4.5860 4.6145 4.6145 9.4215 9.4215 10.4850 10.4850 k = 0.5000 0.5000 0.4536 ( 3512 PWs) bands (ev): -23.1111 -23.1111 -10.1676 -10.1676 -7.9283 -7.9283 -7.0868 -7.0868 -7.0758 -7.0758 -3.5752 -3.5752 -0.0120 -0.0120 0.0011 0.0011 0.7866 0.7866 1.4705 1.4705 1.7196 1.7196 1.9495 1.9495 2.4843 2.4843 2.5346 2.5346 4.5860 4.5860 4.6145 4.6145 9.4215 9.4215 10.4850 10.4850 k = 0.4900 0.4900 0.4536 ( 3496 PWs) bands (ev): -23.1111 -23.1111 -10.1679 -10.1679 -7.9280 -7.9280 -7.0866 -7.0866 -7.0753 -7.0753 -3.5754 -3.5754 -0.0124 -0.0124 0.0007 0.0007 0.7866 0.7866 1.4705 1.4705 1.7195 1.7195 1.9487 1.9487 2.4841 2.4841 2.5344 2.5344 4.5878 4.5878 4.6163 4.6163 9.4219 9.4219 10.4808 10.4808 k = 0.4800 0.4800 0.4536 ( 3488 PWs) bands (ev): -23.1111 -23.1111 -10.1688 -10.1688 -7.9271 -7.9271 -7.0862 -7.0862 -7.0737 -7.0737 -3.5759 -3.5759 -0.0139 -0.0139 -0.0002 -0.0002 0.7866 0.7866 1.4705 1.4705 1.7193 1.7193 1.9460 1.9460 2.4830 2.4830 2.5336 2.5336 4.5931 4.5931 4.6220 4.6220 9.4228 9.4228 10.4683 10.4683 k = 0.4700 0.4700 0.4536 ( 3488 PWs) bands (ev): -23.1112 -23.1112 -10.1703 -10.1703 -7.9257 -7.9257 -7.0857 -7.0857 -7.0711 -7.0711 -3.5767 -3.5767 -0.0167 -0.0167 -0.0012 -0.0012 0.7865 0.7865 1.4705 1.4705 1.7189 1.7189 1.9417 1.9417 2.4812 2.4812 2.5324 2.5324 4.6016 4.6016 4.6317 4.6317 9.4244 9.4244 10.4481 10.4481 k = 0.4600 0.4600 0.4536 ( 3496 PWs) bands (ev): -23.1113 -23.1113 -10.1723 -10.1723 -7.9237 -7.9237 -7.0850 -7.0850 -7.0674 -7.0674 -3.5779 -3.5779 -0.0214 -0.0214 -0.0019 -0.0019 0.7864 0.7864 1.4704 1.4704 1.7182 1.7182 1.9356 1.9356 2.4786 2.4786 2.5309 2.5309 4.6128 4.6128 4.6459 4.6459 9.4268 9.4268 10.4209 10.4209 k = 0.4500 0.4500 0.4536 ( 3496 PWs) bands (ev): -23.1115 -23.1115 -10.1748 -10.1748 -7.9213 -7.9213 -7.0843 -7.0843 -7.0625 -7.0625 -3.5794 -3.5794 -0.0278 -0.0278 -0.0022 -0.0022 0.7863 0.7863 1.4703 1.4703 1.7174 1.7174 1.9279 1.9279 2.4752 2.4752 2.5292 2.5292 4.6262 4.6262 4.6647 4.6647 9.4299 9.4299 10.3874 10.3874 k = 0.4400 0.4400 0.4536 ( 3500 PWs) bands (ev): -23.1116 -23.1116 -10.1777 -10.1777 -7.9184 -7.9184 -7.0835 -7.0835 -7.0566 -7.0566 -3.5811 -3.5811 -0.0358 -0.0358 -0.0022 -0.0022 0.7861 0.7861 1.4701 1.4701 1.7165 1.7165 1.9188 1.9188 2.4709 2.4709 2.5276 2.5276 4.6417 4.6417 4.6881 4.6881 9.4339 9.4339 10.3487 10.3487 k = 0.4300 0.4300 0.4536 ( 3504 PWs) bands (ev): -23.1118 -23.1118 -10.1811 -10.1811 -7.9151 -7.9151 -7.0826 -7.0826 -7.0497 -7.0497 -3.5832 -3.5832 -0.0452 -0.0452 -0.0019 -0.0019 0.7858 0.7858 1.4699 1.4699 1.7154 1.7154 1.9082 1.9082 2.4658 2.4658 2.5260 2.5260 4.6593 4.6593 4.7159 4.7159 9.4388 9.4388 10.3053 10.3053 k = 0.4200 0.4200 0.4536 ( 3506 PWs) bands (ev): -23.1121 -23.1121 -10.1849 -10.1849 -7.9114 -7.9114 -7.0817 -7.0817 -7.0418 -7.0418 -3.5855 -3.5855 -0.0557 -0.0557 -0.0014 -0.0014 0.7854 0.7854 1.4697 1.4697 1.7142 1.7142 1.8965 1.8965 2.4599 2.4599 2.5247 2.5247 4.6791 4.6791 4.7477 4.7477 9.4447 9.4447 10.2579 10.2579 k = 0.4100 0.4100 0.4536 ( 3508 PWs) bands (ev): -23.1123 -23.1123 -10.1890 -10.1890 -7.9075 -7.9075 -7.0806 -7.0806 -7.0332 -7.0332 -3.5880 -3.5880 -0.0673 -0.0673 -0.0007 -0.0007 0.7849 0.7849 1.4695 1.4695 1.7129 1.7129 1.8835 1.8835 2.4532 2.4532 2.5236 2.5236 4.7012 4.7012 4.7832 4.7832 9.4517 9.4517 10.2071 10.2071 k = 0.4000 0.4000 0.4536 ( 3508 PWs) bands (ev): -23.1126 -23.1126 -10.1933 -10.1933 -7.9034 -7.9034 -7.0795 -7.0795 -7.0238 -7.0238 -3.5908 -3.5908 -0.0796 -0.0796 0.0001 0.0001 0.7842 0.7842 1.4693 1.4693 1.7115 1.7115 1.8697 1.8697 2.4461 2.4461 2.5228 2.5228 4.7255 4.7255 4.8219 4.8219 9.4599 9.4599 10.1534 10.1534 k = 0.3900 0.3900 0.4536 ( 3504 PWs) bands (ev): -23.1129 -23.1129 -10.1978 -10.1978 -7.8991 -7.8991 -7.0783 -7.0783 -7.0138 -7.0138 -3.5937 -3.5937 -0.0924 -0.0924 0.0011 0.0011 0.7834 0.7834 1.4690 1.4690 1.7100 1.7100 1.8549 1.8549 2.4385 2.4385 2.5222 2.5222 4.7520 4.7520 4.8636 4.8636 9.4692 9.4692 10.0971 10.0971 k = 0.3800 0.3800 0.4536 ( 3502 PWs) bands (ev): -23.1132 -23.1132 -10.2023 -10.2023 -7.8947 -7.8947 -7.0770 -7.0770 -7.0033 -7.0033 -3.5967 -3.5967 -0.1056 -0.1056 0.0022 0.0022 0.7824 0.7824 1.4687 1.4687 1.7085 1.7085 1.8395 1.8395 2.4308 2.4308 2.5219 2.5219 4.7808 4.7808 4.9079 4.9079 9.4795 9.4795 10.0389 10.0389 k = 0.3700 0.3700 0.4536 ( 3510 PWs) bands (ev): -23.1136 -23.1136 -10.2070 -10.2070 -7.8903 -7.8903 -7.0757 -7.0757 -6.9925 -6.9925 -3.5998 -3.5998 -0.1190 -0.1190 0.0035 0.0035 0.7813 0.7813 1.4684 1.4684 1.7069 1.7069 1.8234 1.8234 2.4230 2.4230 2.5217 2.5217 4.8117 4.8117 4.9545 4.9545 9.4905 9.4905 9.9793 9.9793 k = 0.3600 0.3600 0.4536 ( 3508 PWs) bands (ev): -23.1139 -23.1139 -10.2115 -10.2115 -7.8858 -7.8858 -7.0742 -7.0742 -6.9814 -6.9814 -3.6030 -3.6030 -0.1322 -0.1322 0.0049 0.0049 0.7799 0.7799 1.4680 1.4680 1.7053 1.7053 1.8069 1.8069 2.4153 2.4153 2.5218 2.5218 4.8448 4.8448 5.0031 5.0031 9.5014 9.5014 9.9197 9.9197 k = 0.3500 0.3500 0.4536 ( 3512 PWs) bands (ev): -23.1143 -23.1143 -10.2160 -10.2160 -7.8815 -7.8815 -7.0727 -7.0727 -6.9701 -6.9701 -3.6062 -3.6062 -0.1451 -0.1451 0.0065 0.0065 0.7782 0.7782 1.4675 1.4675 1.7036 1.7036 1.7901 1.7901 2.4080 2.4080 2.5221 2.5221 4.8800 4.8800 5.0532 5.0532 9.5104 9.5104 9.8620 9.8620 k = 0.3400 0.3400 0.4536 ( 3516 PWs) bands (ev): -23.1148 -23.1148 -10.2204 -10.2204 -7.8773 -7.8773 -7.0712 -7.0712 -6.9589 -6.9589 -3.6095 -3.6095 -0.1575 -0.1575 0.0082 0.0082 0.7764 0.7764 1.4671 1.4671 1.7020 1.7020 1.7730 1.7730 2.4010 2.4010 2.5226 2.5226 4.9172 4.9172 5.1046 5.1046 9.5137 9.5137 9.8104 9.8104 k = 0.3300 0.3300 0.4536 ( 3508 PWs) bands (ev): -23.1152 -23.1152 -10.2245 -10.2245 -7.8732 -7.8732 -7.0696 -7.0696 -6.9478 -6.9478 -3.6127 -3.6127 -0.1691 -0.1691 0.0100 0.0100 0.7743 0.7743 1.4666 1.4666 1.7005 1.7005 1.7557 1.7557 2.3946 2.3946 2.5233 2.5233 4.9563 4.9563 5.1570 5.1570 9.5047 9.5047 9.7720 9.7720 k = 0.3200 0.3200 0.4536 ( 3504 PWs) bands (ev): -23.1156 -23.1156 -10.2284 -10.2284 -7.8694 -7.8694 -7.0680 -7.0680 -6.9370 -6.9370 -3.6159 -3.6159 -0.1797 -0.1797 0.0120 0.0120 0.7719 0.7719 1.4662 1.4662 1.6989 1.6989 1.7384 1.7384 2.3889 2.3889 2.5241 2.5241 4.9973 4.9973 5.2100 5.2100 9.4761 9.4761 9.7544 9.7544 k = 0.3100 0.3100 0.4536 ( 3488 PWs) bands (ev): -23.1161 -23.1161 -10.2319 -10.2319 -7.8658 -7.8658 -7.0663 -7.0663 -6.9266 -6.9266 -3.6189 -3.6189 -0.1892 -0.1892 0.0142 0.0142 0.7692 0.7692 1.4658 1.4658 1.6975 1.6975 1.7213 1.7213 2.3839 2.3839 2.5251 2.5251 5.0401 5.0401 5.2633 5.2633 9.4272 9.4272 9.7587 9.7587 k = 0.3000 0.3000 0.4536 ( 3488 PWs) bands (ev): -23.1166 -23.1166 -10.2351 -10.2351 -7.8624 -7.8624 -7.0647 -7.0647 -6.9166 -6.9166 -3.6219 -3.6219 -0.1973 -0.1973 0.0165 0.0165 0.7663 0.7663 1.4652 1.4652 1.6957 1.6957 1.7044 1.7044 2.3797 2.3797 2.5263 2.5263 5.0845 5.0845 5.3168 5.3168 9.3638 9.3638 9.7794 9.7794 k = 0.2900 0.2900 0.4536 ( 3488 PWs) bands (ev): -23.1171 -23.1171 -10.2379 -10.2379 -7.8593 -7.8593 -7.0630 -7.0630 -6.9073 -6.9073 -3.6247 -3.6247 -0.2040 -0.2040 0.0189 0.0189 0.7631 0.7631 1.4646 1.4646 1.6864 1.6864 1.6954 1.6954 2.3764 2.3764 2.5277 2.5277 5.1306 5.1306 5.3701 5.3701 9.2917 9.2917 9.8113 9.8113 k = 0.2800 0.2800 0.4536 ( 3484 PWs) bands (ev): -23.1176 -23.1176 -10.2403 -10.2403 -7.8565 -7.8565 -7.0614 -7.0614 -6.8987 -6.8987 -3.6274 -3.6274 -0.2090 -0.2090 0.0215 0.0215 0.7596 0.7596 1.4640 1.4640 1.6699 1.6699 1.6938 1.6938 2.3741 2.3741 2.5292 2.5292 5.1782 5.1782 5.4230 5.4230 9.2142 9.2142 9.8498 9.8498 k = 0.2700 0.2700 0.4536 ( 3486 PWs) bands (ev): -23.1181 -23.1181 -10.2422 -10.2422 -7.8541 -7.8541 -7.0598 -7.0598 -6.8908 -6.8908 -3.6299 -3.6299 -0.2122 -0.2122 0.0242 0.0242 0.7558 0.7558 1.4634 1.4634 1.6535 1.6535 1.6926 1.6926 2.3727 2.3727 2.5309 2.5309 5.2271 5.2271 5.4752 5.4752 9.1334 9.1334 9.8240 9.8240 k = 0.2600 0.2600 0.4536 ( 3494 PWs) bands (ev): -23.1186 -23.1186 -10.2437 -10.2437 -7.8520 -7.8520 -7.0582 -7.0582 -6.8838 -6.8838 -3.6322 -3.6322 -0.2137 -0.2137 0.0270 0.0270 0.7518 0.7518 1.4627 1.4627 1.6373 1.6373 1.6915 1.6915 2.3724 2.3724 2.5328 2.5328 5.2773 5.2773 5.5266 5.5266 9.0504 9.0504 9.7568 9.7568 k = 0.2500 0.2500 0.4536 ( 3486 PWs) bands (ev): -23.1191 -23.1191 -10.2446 -10.2446 -7.8502 -7.8502 -7.0567 -7.0567 -6.8777 -6.8777 -3.6343 -3.6343 -0.2132 -0.2132 0.0300 0.0300 0.7474 0.7474 1.4620 1.4620 1.6216 1.6216 1.6905 1.6905 2.3732 2.3732 2.5348 2.5348 5.3286 5.3286 5.5771 5.5771 8.9660 8.9660 9.6890 9.6890 k = 0.2400 0.2400 0.4536 ( 3484 PWs) bands (ev): -23.1196 -23.1196 -10.2451 -10.2451 -7.8487 -7.8487 -7.0552 -7.0552 -6.8725 -6.8725 -3.6362 -3.6362 -0.2108 -0.2108 0.0331 0.0331 0.7428 0.7428 1.4613 1.4613 1.6062 1.6062 1.6896 1.6896 2.3750 2.3750 2.5370 2.5370 5.3809 5.3809 5.6265 5.6265 8.8808 8.8808 9.6211 9.6211 k = 0.2300 0.2300 0.4536 ( 3490 PWs) bands (ev): -23.1202 -23.1202 -10.2452 -10.2452 -7.8476 -7.8476 -7.0539 -7.0539 -6.8682 -6.8682 -3.6380 -3.6380 -0.2065 -0.2065 0.0363 0.0363 0.7379 0.7379 1.4606 1.4606 1.5913 1.5913 1.6888 1.6888 2.3779 2.3779 2.5393 2.5393 5.4340 5.4340 5.6746 5.6746 8.7954 8.7954 9.5523 9.5523 k = 0.2200 0.2200 0.4536 ( 3482 PWs) bands (ev): -23.1207 -23.1207 -10.2448 -10.2448 -7.8468 -7.8468 -7.0526 -7.0526 -6.8648 -6.8648 -3.6394 -3.6394 -0.2002 -0.2002 0.0396 0.0396 0.7327 0.7327 1.4599 1.4599 1.5768 1.5768 1.6882 1.6882 2.3819 2.3819 2.5419 2.5419 5.4878 5.4878 5.7214 5.7214 8.7100 8.7100 9.4556 9.4556 k = 0.2100 0.2100 0.4536 ( 3482 PWs) bands (ev): -23.1212 -23.1212 -10.2439 -10.2439 -7.8463 -7.8463 -7.0515 -7.0515 -6.8623 -6.8623 -3.6407 -3.6407 -0.1921 -0.1921 0.0430 0.0430 0.7272 0.7272 1.4592 1.4592 1.5629 1.5629 1.6876 1.6876 2.3869 2.3869 2.5445 2.5445 5.5420 5.5420 5.7669 5.7669 8.6252 8.6252 9.3528 9.3528 k = 0.2000 0.2000 0.4536 ( 3482 PWs) bands (ev): -23.1217 -23.1217 -10.2426 -10.2426 -7.8461 -7.8461 -7.0505 -7.0505 -6.8606 -6.8606 -3.6418 -3.6418 -0.1823 -0.1823 0.0465 0.0465 0.7214 0.7214 1.4584 1.4584 1.5494 1.5494 1.6871 1.6871 2.3928 2.3928 2.5473 2.5473 5.5965 5.5965 5.8109 5.8109 8.5412 8.5412 9.2531 9.2531 k = 0.1900 0.1900 0.4536 ( 3478 PWs) bands (ev): -23.1222 -23.1222 -10.2409 -10.2409 -7.8463 -7.8463 -7.0498 -7.0498 -6.8597 -6.8597 -3.6426 -3.6426 -0.1708 -0.1708 0.0500 0.0500 0.7154 0.7154 1.4577 1.4577 1.5366 1.5366 1.6867 1.6867 2.3997 2.3997 2.5503 2.5503 5.6512 5.6512 5.8536 5.8536 8.4583 8.4583 9.1569 9.1569 k = 0.1800 0.1800 0.4536 ( 3474 PWs) bands (ev): -23.1227 -23.1227 -10.2388 -10.2388 -7.8467 -7.8467 -7.0491 -7.0491 -6.8595 -6.8595 -3.6433 -3.6433 -0.1578 -0.1578 0.0536 0.0536 0.7092 0.7092 1.4570 1.4570 1.5243 1.5243 1.6865 1.6865 2.4074 2.4074 2.5533 2.5533 5.7056 5.7056 5.8949 5.8949 8.3769 8.3769 9.0643 9.0643 k = 0.1700 0.1700 0.4536 ( 3470 PWs) bands (ev): -23.1231 -23.1231 -10.2364 -10.2364 -7.8473 -7.8473 -7.0487 -7.0487 -6.8600 -6.8600 -3.6438 -3.6438 -0.1435 -0.1435 0.0572 0.0572 0.7027 0.7027 1.4563 1.4563 1.5126 1.5126 1.6863 1.6863 2.4159 2.4159 2.5566 2.5566 5.7597 5.7597 5.9347 5.9347 8.2972 8.2972 8.9756 8.9756 k = 0.1600 0.1600 0.4536 ( 3466 PWs) bands (ev): -23.1236 -23.1236 -10.2337 -10.2337 -7.8482 -7.8482 -7.0485 -7.0485 -6.8610 -6.8610 -3.6441 -3.6441 -0.1280 -0.1280 0.0609 0.0609 0.6960 0.6960 1.4557 1.4557 1.5015 1.5015 1.6862 1.6862 2.4251 2.4251 2.5599 2.5599 5.8131 5.8131 5.9732 5.9732 8.2194 8.2194 8.8909 8.8909 k = 0.1500 0.1500 0.4536 ( 3466 PWs) bands (ev): -23.1240 -23.1240 -10.2308 -10.2308 -7.8493 -7.8493 -7.0485 -7.0485 -6.8624 -6.8624 -3.6443 -3.6443 -0.1117 -0.1117 0.0646 0.0646 0.6891 0.6891 1.4550 1.4550 1.4910 1.4910 1.6861 1.6861 2.4347 2.4347 2.5634 2.5634 5.8656 5.8656 6.0104 6.0104 8.1439 8.1439 8.8104 8.8104 k = 0.1400 0.1400 0.4536 ( 3462 PWs) bands (ev): -23.1245 -23.1245 -10.2277 -10.2277 -7.8505 -7.8505 -7.0488 -7.0488 -6.8641 -6.8641 -3.6443 -3.6443 -0.0946 -0.0946 0.0682 0.0682 0.6821 0.6821 1.4544 1.4544 1.4811 1.4811 1.6861 1.6861 2.4448 2.4448 2.5670 2.5670 5.9169 5.9169 6.0462 6.0462 8.0709 8.0709 8.7342 8.7342 k = 0.1300 0.1300 0.4536 ( 3466 PWs) bands (ev): -23.1249 -23.1249 -10.2245 -10.2245 -7.8519 -7.8519 -7.0492 -7.0492 -6.8662 -6.8662 -3.6442 -3.6442 -0.0771 -0.0771 0.0719 0.0719 0.6749 0.6749 1.4537 1.4537 1.4719 1.4719 1.6861 1.6861 2.4551 2.4551 2.5708 2.5708 5.9666 5.9666 6.0807 6.0807 8.0007 8.0007 8.6626 8.6626 k = 0.1200 0.1200 0.4536 ( 3462 PWs) bands (ev): -23.1253 -23.1253 -10.2212 -10.2212 -7.8534 -7.8534 -7.0499 -7.0499 -6.8683 -6.8683 -3.6441 -3.6441 -0.0595 -0.0595 0.0757 0.0757 0.6677 0.6677 1.4531 1.4531 1.4633 1.4633 1.6862 1.6862 2.4655 2.4655 2.5747 2.5747 6.0145 6.0145 6.1139 6.1139 7.9335 7.9335 8.5956 8.5956 k = 0.1100 0.1100 0.4536 ( 3462 PWs) bands (ev): -23.1256 -23.1256 -10.2179 -10.2179 -7.8550 -7.8550 -7.0507 -7.0507 -6.8705 -6.8705 -3.6438 -3.6438 -0.0420 -0.0420 0.0794 0.0794 0.6604 0.6604 1.4523 1.4523 1.4557 1.4557 1.6863 1.6863 2.4757 2.4757 2.5787 2.5787 6.0600 6.0600 6.1458 6.1458 7.8696 7.8696 8.5334 8.5334 k = 0.1000 0.1000 0.4536 ( 3462 PWs) bands (ev): -23.1259 -23.1259 -10.2147 -10.2147 -7.8566 -7.8566 -7.0517 -7.0517 -6.8727 -6.8727 -3.6435 -3.6435 -0.0250 -0.0250 0.0832 0.0832 0.6532 0.6532 1.4477 1.4477 1.4524 1.4524 1.6864 1.6864 2.4856 2.4856 2.5828 2.5828 6.1030 6.1030 6.1764 6.1764 7.8092 7.8092 8.4762 8.4762 k = 0.0900 0.0900 0.4536 ( 3448 PWs) bands (ev): -23.1262 -23.1262 -10.2115 -10.2115 -7.8582 -7.8582 -7.0528 -7.0528 -6.8749 -6.8749 -3.6432 -3.6432 -0.0088 -0.0088 0.0872 0.0872 0.6462 0.6462 1.4413 1.4413 1.4519 1.4519 1.6866 1.6866 2.4949 2.4949 2.5871 2.5871 6.1428 6.1428 6.2055 6.2055 7.7529 7.7529 8.4240 8.4240 k = 0.0800 0.0800 0.4536 ( 3456 PWs) bands (ev): -23.1265 -23.1265 -10.2085 -10.2085 -7.8598 -7.8598 -7.0540 -7.0540 -6.8769 -6.8769 -3.6428 -3.6428 0.0062 0.0062 0.0913 0.0913 0.6394 0.6394 1.4354 1.4354 1.4514 1.4514 1.6868 1.6868 2.5035 2.5035 2.5914 2.5914 6.1793 6.1793 6.2332 6.2332 7.7007 7.7007 8.3770 8.3770 k = 0.0700 0.0700 0.4536 ( 3452 PWs) bands (ev): -23.1268 -23.1268 -10.2057 -10.2057 -7.8613 -7.8613 -7.0552 -7.0552 -6.8787 -6.8787 -3.6424 -3.6424 0.0196 0.0196 0.0956 0.0956 0.6329 0.6329 1.4302 1.4302 1.4510 1.4510 1.6869 1.6869 2.5112 2.5112 2.5958 2.5958 6.2119 6.2119 6.2592 6.2592 7.6533 7.6533 8.3352 8.3352 k = 0.0600 0.0600 0.4536 ( 3450 PWs) bands (ev): -23.1270 -23.1270 -10.2032 -10.2032 -7.8626 -7.8626 -7.0564 -7.0564 -6.8803 -6.8803 -3.6421 -3.6421 0.0313 0.0313 0.1002 0.1002 0.6269 0.6269 1.4257 1.4257 1.4507 1.4507 1.6871 1.6871 2.5179 2.5179 2.6001 2.6001 6.2404 6.2404 6.2832 6.2832 7.6108 7.6108 8.2988 8.2988 k = 0.0500 0.0500 0.4536 ( 3446 PWs) bands (ev): -23.1272 -23.1272 -10.2010 -10.2010 -7.8639 -7.8639 -7.0575 -7.0575 -6.8817 -6.8817 -3.6417 -3.6417 0.0408 0.0408 0.1049 0.1049 0.6215 0.6215 1.4219 1.4219 1.4504 1.4504 1.6872 1.6872 2.5235 2.5235 2.6041 2.6041 6.2646 6.2646 6.3048 6.3048 7.5739 7.5739 8.2679 8.2679 k = 0.0400 0.0400 0.4536 ( 3446 PWs) bands (ev): -23.1273 -23.1273 -10.1991 -10.1991 -7.8649 -7.8649 -7.0585 -7.0585 -6.8829 -6.8829 -3.6414 -3.6414 0.0483 0.0483 0.1096 0.1096 0.6168 0.6168 1.4187 1.4187 1.4502 1.4502 1.6874 1.6874 2.5281 2.5281 2.6077 2.6077 6.2846 6.2846 6.3234 6.3234 7.5429 7.5429 8.2425 8.2425 k = 0.0300 0.0300 0.4536 ( 3456 PWs) bands (ev): -23.1274 -23.1274 -10.1976 -10.1976 -7.8657 -7.8657 -7.0593 -7.0593 -6.8838 -6.8838 -3.6412 -3.6412 0.0538 0.0538 0.1138 0.1138 0.6130 0.6130 1.4162 1.4162 1.4499 1.4499 1.6874 1.6874 2.5317 2.5317 2.6108 2.6108 6.3002 6.3002 6.3386 6.3386 7.5182 7.5182 8.2227 8.2227 k = 0.0200 0.0200 0.4536 ( 3452 PWs) bands (ev): -23.1275 -23.1275 -10.1965 -10.1965 -7.8663 -7.8663 -7.0599 -7.0599 -6.8844 -6.8844 -3.6411 -3.6411 0.0576 0.0576 0.1172 0.1172 0.6102 0.6102 1.4144 1.4144 1.4498 1.4498 1.6875 1.6875 2.5342 2.5342 2.6131 2.6131 6.3113 6.3113 6.3498 6.3498 7.5002 7.5002 8.2085 8.2085 k = 0.0100 0.0100 0.4536 ( 3448 PWs) bands (ev): -23.1276 -23.1276 -10.1958 -10.1958 -7.8667 -7.8667 -7.0603 -7.0603 -6.8848 -6.8848 -3.6409 -3.6409 0.0597 0.0597 0.1194 0.1194 0.6085 0.6085 1.4134 1.4134 1.4497 1.4497 1.6875 1.6875 2.5356 2.5356 2.6145 2.6145 6.3181 6.3181 6.3566 6.3566 7.4893 7.4893 8.2000 8.2000 k = 0.0000 0.0000 0.4536 ( 3436 PWs) bands (ev): -23.1276 -23.1276 -10.1956 -10.1956 -7.8668 -7.8668 -7.0604 -7.0604 -6.8849 -6.8849 -3.6409 -3.6409 0.0604 0.0604 0.1202 0.1202 0.6079 0.6079 1.4131 1.4131 1.4498 1.4498 1.6876 1.6876 2.5362 2.5362 2.6151 2.6151 6.3204 6.3204 6.3589 6.3589 7.4857 7.4857 8.1971 8.1971 k = 0.0000 0.5000-0.0000 ( 3474 PWs) bands (ev): -23.1208 -23.1208 -10.3934 -10.3934 -7.7770 -7.7770 -6.9591 -6.9591 -6.8246 -6.8246 -1.9267 -1.9267 -1.6543 -1.6543 0.1230 0.1230 0.6451 0.6451 1.0079 1.0079 1.0978 1.0978 1.4847 1.4847 1.6640 1.6640 1.9549 1.9549 5.7904 5.7904 8.5094 8.5094 9.2916 9.2916 9.4031 9.4031 k = 0.0000 0.5000 0.0142 ( 3484 PWs) bands (ev): -23.1208 -23.1208 -10.3932 -10.3932 -7.7770 -7.7770 -6.9592 -6.9592 -6.8246 -6.8246 -1.9590 -1.9590 -1.6207 -1.6207 0.1208 0.1208 0.6389 0.6389 1.0128 1.0128 1.1033 1.1033 1.4850 1.4850 1.6639 1.6639 1.9546 1.9546 5.7892 5.7892 8.5090 8.5090 9.2796 9.2796 9.3985 9.3985 k = 0.0000 0.5000 0.0283 ( 3476 PWs) bands (ev): -23.1208 -23.1208 -10.3926 -10.3926 -7.7772 -7.7772 -6.9595 -6.9595 -6.8245 -6.8245 -2.0303 -2.0303 -1.5457 -1.5457 0.1144 0.1144 0.6214 0.6214 1.0269 1.0269 1.1195 1.1195 1.4859 1.4859 1.6639 1.6639 1.9539 1.9539 5.7856 5.7856 8.5076 8.5076 9.2447 9.2447 9.3853 9.3853 k = 0.0000 0.5000 0.0425 ( 3480 PWs) bands (ev): -23.1208 -23.1208 -10.3916 -10.3916 -7.7775 -7.7775 -6.9599 -6.9599 -6.8244 -6.8244 -2.1146 -2.1146 -1.4552 -1.4552 0.1041 0.1041 0.5954 0.5954 1.0479 1.0479 1.1452 1.1452 1.4876 1.4876 1.6637 1.6637 1.9527 1.9527 5.7796 5.7796 8.5056 8.5056 9.1895 9.1895 9.3642 9.3642 k = 0.0000 0.5000 0.0567 ( 3472 PWs) bands (ev): -23.1207 -23.1207 -10.3902 -10.3902 -7.7779 -7.7779 -6.9605 -6.9605 -6.8243 -6.8243 -2.2027 -2.2027 -1.3584 -1.3584 0.0902 0.0902 0.5638 0.5638 1.0744 1.0744 1.1784 1.1784 1.4903 1.4903 1.6635 1.6635 1.9512 1.9512 5.7709 5.7709 8.5036 8.5036 9.1176 9.1176 9.3364 9.3364 k = 0.0000 0.5000 0.0709 ( 3472 PWs) bands (ev): -23.1207 -23.1207 -10.3884 -10.3884 -7.7785 -7.7785 -6.9613 -6.9613 -6.8241 -6.8241 -2.2916 -2.2916 -1.2585 -1.2585 0.0735 0.0735 0.5288 0.5288 1.1052 1.1052 1.2169 1.2169 1.4943 1.4943 1.6632 1.6632 1.9491 1.9491 5.7595 5.7595 8.5021 8.5021 9.0328 9.0328 9.3029 9.3029 k = 0.0000 0.5000 0.0850 ( 3480 PWs) bands (ev): -23.1207 -23.1207 -10.3863 -10.3863 -7.7791 -7.7791 -6.9623 -6.9623 -6.8239 -6.8239 -2.3798 -2.3798 -1.1568 -1.1568 0.0543 0.0543 0.4919 0.4919 1.1399 1.1399 1.2581 1.2581 1.5004 1.5004 1.6629 1.6629 1.9467 1.9467 5.7450 5.7450 8.5019 8.5019 8.9384 8.9384 9.2647 9.2647 k = 0.0000 0.5000 0.0992 ( 3482 PWs) bands (ev): -23.1206 -23.1206 -10.3838 -10.3838 -7.7799 -7.7799 -6.9633 -6.9633 -6.8237 -6.8237 -2.4667 -2.4667 -1.0542 -1.0542 0.0333 0.0333 0.4542 0.4542 1.1780 1.1780 1.2997 1.2997 1.5099 1.5099 1.6626 1.6626 1.9438 1.9438 5.7273 5.7273 8.5038 8.5038 8.8373 8.8373 9.2228 9.2228 k = 0.0000 0.5000 0.1134 ( 3478 PWs) bands (ev): -23.1205 -23.1205 -10.3810 -10.3810 -7.7807 -7.7807 -6.9646 -6.9646 -6.8234 -6.8234 -2.5518 -2.5518 -0.9511 -0.9511 0.0110 0.0110 0.4163 0.4163 1.2190 1.2190 1.3390 1.3390 1.5247 1.5247 1.6622 1.6622 1.9405 1.9405 5.7062 5.7062 8.5085 8.5085 8.7316 8.7316 9.1779 9.1779 k = 0.0000 0.5000 0.1276 ( 3478 PWs) bands (ev): -23.1205 -23.1205 -10.3779 -10.3779 -7.7817 -7.7817 -6.9659 -6.9659 -6.8231 -6.8231 -2.6349 -2.6349 -0.8480 -0.8480 -0.0122 -0.0122 0.3788 0.3788 1.2622 1.2622 1.3727 1.3727 1.5473 1.5473 1.6618 1.6618 1.9369 1.9369 5.6815 5.6815 8.5166 8.5166 8.6233 8.6233 9.1308 9.1308 k = 0.0000 0.5000 0.1417 ( 3478 PWs) bands (ev): -23.1204 -23.1204 -10.3745 -10.3745 -7.7827 -7.7827 -6.9674 -6.9674 -6.8228 -6.8228 -2.7157 -2.7157 -0.7450 -0.7450 -0.0359 -0.0359 0.3420 0.3420 1.3066 1.3066 1.3995 1.3995 1.5793 1.5793 1.6615 1.6615 1.9330 1.9330 5.6530 5.6530 8.5071 8.5071 8.5354 8.5354 9.0821 9.0821 k = 0.0000 0.5000 0.1559 ( 3482 PWs) bands (ev): -23.1203 -23.1203 -10.3709 -10.3709 -7.7838 -7.7838 -6.9689 -6.9689 -6.8225 -6.8225 -2.7940 -2.7940 -0.6427 -0.6427 -0.0598 -0.0598 0.3061 0.3061 1.3500 1.3500 1.4211 1.4211 1.6201 1.6201 1.6613 1.6613 1.9288 1.9288 5.6207 5.6207 8.3999 8.3999 8.5499 8.5499 9.0324 9.0324 k = 0.0000 0.5000 0.1701 ( 3490 PWs) bands (ev): -23.1202 -23.1202 -10.3671 -10.3671 -7.7849 -7.7849 -6.9705 -6.9705 -6.8221 -6.8221 -2.8697 -2.8697 -0.5412 -0.5412 -0.0836 -0.0836 0.2713 0.2713 1.3865 1.3865 1.4449 1.4449 1.6613 1.6613 1.6672 1.6672 1.9246 1.9246 5.5847 5.5847 8.2893 8.2893 8.5736 8.5736 8.9820 8.9820 k = 0.0000 0.5000 0.1843 ( 3478 PWs) bands (ev): -23.1201 -23.1201 -10.3631 -10.3631 -7.7861 -7.7861 -6.9722 -6.9722 -6.8218 -6.8218 -2.9426 -2.9426 -0.4409 -0.4409 -0.1069 -0.1069 0.2378 0.2378 1.4086 1.4086 1.4798 1.4798 1.6620 1.6620 1.7182 1.7182 1.9205 1.9205 5.5449 5.5449 8.1796 8.1796 8.6037 8.6037 8.9314 8.9314 k = 0.0000 0.5000 0.1984 ( 3482 PWs) bands (ev): -23.1200 -23.1200 -10.3590 -10.3590 -7.7874 -7.7874 -6.9739 -6.9739 -6.8214 -6.8214 -3.0125 -3.0125 -0.3422 -0.3422 -0.1297 -0.1297 0.2056 0.2056 1.4194 1.4194 1.5228 1.5228 1.6640 1.6640 1.7710 1.7710 1.9170 1.9170 5.5018 5.5018 8.0713 8.0713 8.6403 8.6403 8.8810 8.8810 k = 0.0000 0.5000 0.2126 ( 3486 PWs) bands (ev): -23.1199 -23.1199 -10.3548 -10.3548 -7.7887 -7.7887 -6.9756 -6.9756 -6.8210 -6.8210 -3.0795 -3.0795 -0.2457 -0.2457 -0.1513 -0.1513 0.1749 0.1749 1.4252 1.4252 1.5659 1.5659 1.6692 1.6692 1.8238 1.8238 1.9151 1.9151 5.4555 5.4555 7.9652 7.9652 8.6833 8.6833 8.8312 8.8312 k = 0.0000 0.5000 0.2268 ( 3486 PWs) bands (ev): -23.1198 -23.1198 -10.3505 -10.3505 -7.7900 -7.7900 -6.9774 -6.9774 -6.8206 -6.8206 -3.1433 -3.1433 -0.1786 -0.1786 -0.1448 -0.1448 0.1458 0.1458 1.4287 1.4287 1.6009 1.6009 1.6826 1.6826 1.8716 1.8716 1.9198 1.9198 5.4064 5.4064 7.8617 7.8617 8.7317 8.7317 8.7836 8.7836 k = 0.0000 0.5000 0.2410 ( 3488 PWs) bands (ev): -23.1197 -23.1197 -10.3462 -10.3462 -7.7913 -7.7913 -6.9791 -6.9791 -6.8202 -6.8202 -3.2037 -3.2037 -0.1958 -0.1958 -0.0557 -0.0557 0.1185 0.1185 1.4308 1.4308 1.6205 1.6205 1.7094 1.7094 1.8961 1.8961 1.9499 1.9499 5.3550 5.3550 7.7613 7.7613 8.7307 8.7307 8.7930 8.7930 k = 0.0000 0.5000 0.2551 ( 3486 PWs) bands (ev): -23.1197 -23.1197 -10.3419 -10.3419 -7.7926 -7.7926 -6.9808 -6.9808 -6.8198 -6.8198 -3.2609 -3.2609 -0.2150 -0.2150 0.0321 0.0321 0.0946 0.0946 1.4321 1.4321 1.6279 1.6279 1.7433 1.7433 1.9057 1.9057 1.9988 1.9988 5.3019 5.3019 7.6644 7.6644 8.6852 8.6852 8.8547 8.8547 k = 0.0000 0.5000 0.2693 ( 3486 PWs) bands (ev): -23.1196 -23.1196 -10.3377 -10.3377 -7.7939 -7.7939 -6.9825 -6.9825 -6.8194 -6.8194 -3.3145 -3.3145 -0.2334 -0.2334 0.0635 0.0635 0.1259 0.1259 1.4329 1.4329 1.6299 1.6299 1.7731 1.7731 1.9202 1.9202 2.0503 2.0503 5.2476 5.2476 7.5716 7.5716 8.6402 8.6402 8.9235 8.9235 k = 0.0000 0.5000 0.2835 ( 3486 PWs) bands (ev): -23.1195 -23.1195 -10.3337 -10.3337 -7.7951 -7.7951 -6.9841 -6.9841 -6.8191 -6.8191 -3.3646 -3.3646 -0.2507 -0.2507 0.0429 0.0429 0.2078 0.2078 1.4331 1.4331 1.6295 1.6295 1.7922 1.7922 1.9457 1.9457 2.1011 2.1011 5.1928 5.1928 7.4832 7.4832 8.5970 8.5970 8.9982 8.9982 k = 0.0000 0.5000 0.2976 ( 3492 PWs) bands (ev): -23.1194 -23.1194 -10.3297 -10.3297 -7.7963 -7.7963 -6.9856 -6.9856 -6.8187 -6.8187 -3.4109 -3.4109 -0.2669 -0.2669 0.0224 0.0224 0.2876 0.2876 1.4330 1.4330 1.6278 1.6278 1.8006 1.8006 1.9812 1.9812 2.1501 2.1501 5.1381 5.1381 7.3997 7.3997 8.5559 8.5559 9.0781 9.0781 k = 0.0000 0.5000 0.3118 ( 3500 PWs) bands (ev): -23.1193 -23.1193 -10.3260 -10.3260 -7.7975 -7.7975 -6.9870 -6.9870 -6.8184 -6.8184 -3.4536 -3.4536 -0.2818 -0.2818 0.0033 0.0033 0.3636 0.3636 1.4326 1.4326 1.6253 1.6253 1.8019 1.8019 2.0223 2.0223 2.1970 2.1970 5.0844 5.0844 7.3215 7.3215 8.5173 8.5173 9.1626 9.1626 k = 0.0000 0.5000 0.3260 ( 3502 PWs) bands (ev): -23.1192 -23.1192 -10.3225 -10.3225 -7.7986 -7.7986 -6.9884 -6.9884 -6.8181 -6.8181 -3.4925 -3.4925 -0.2954 -0.2954 -0.0141 -0.0141 0.4351 0.4351 1.4320 1.4320 1.6221 1.6221 1.7994 1.7994 2.0653 2.0653 2.2411 2.2411 5.0322 5.0322 7.2490 7.2490 8.4813 8.4813 9.2509 9.2509 k = 0.0000 0.5000 0.3402 ( 3498 PWs) bands (ev): -23.1192 -23.1192 -10.3192 -10.3192 -7.7996 -7.7996 -6.9896 -6.9896 -6.8178 -6.8178 -3.5274 -3.5274 -0.3076 -0.3076 -0.0297 -0.0297 0.5017 0.5017 1.4311 1.4311 1.6184 1.6184 1.7952 1.7952 2.1077 2.1077 2.2821 2.2821 4.9825 4.9825 7.1827 7.1827 8.4483 8.4483 9.3419 9.3419 k = 0.0000 0.5000 0.3543 ( 3486 PWs) bands (ev): -23.1191 -23.1191 -10.3162 -10.3162 -7.8005 -7.8005 -6.9907 -6.9907 -6.8175 -6.8175 -3.5584 -3.5584 -0.3185 -0.3185 -0.0435 -0.0435 0.5627 0.5627 1.4300 1.4300 1.6143 1.6143 1.7903 1.7903 2.1481 2.1481 2.3196 2.3196 4.9360 4.9360 7.1230 7.1230 8.4186 8.4186 9.4344 9.4344 k = 0.0000 0.5000 0.3685 ( 3482 PWs) bands (ev): -23.1190 -23.1190 -10.3136 -10.3136 -7.8013 -7.8013 -6.9917 -6.9917 -6.8173 -6.8173 -3.5853 -3.5853 -0.3280 -0.3280 -0.0555 -0.0555 0.6176 0.6176 1.4287 1.4287 1.6100 1.6100 1.7851 1.7851 2.1852 2.1852 2.3530 2.3530 4.8936 4.8936 7.0703 7.0703 8.3922 8.3922 9.5267 9.5267 k = 0.0000 0.5000 0.3827 ( 3492 PWs) bands (ev): -23.1190 -23.1190 -10.3113 -10.3113 -7.8020 -7.8020 -6.9925 -6.9925 -6.8171 -6.8171 -3.6083 -3.6083 -0.3360 -0.3360 -0.0657 -0.0657 0.6658 0.6658 1.4272 1.4272 1.6055 1.6055 1.7803 1.7803 2.2183 2.2183 2.3820 2.3820 4.8560 4.8560 7.0250 7.0250 8.3696 8.3696 9.6166 9.6166 k = 0.0000 0.5000 0.3969 ( 3492 PWs) bands (ev): -23.1189 -23.1189 -10.3094 -10.3094 -7.8026 -7.8026 -6.9932 -6.9932 -6.8169 -6.8169 -3.6271 -3.6271 -0.3426 -0.3426 -0.0741 -0.0741 0.7065 0.7065 1.4257 1.4257 1.6014 1.6014 1.7760 1.7760 2.2464 2.2464 2.4064 2.4064 4.8240 4.8240 6.9873 6.9873 8.3507 8.3507 9.7011 9.7011 k = 0.0000 0.5000 0.4110 ( 3488 PWs) bands (ev): -23.1189 -23.1189 -10.3079 -10.3079 -7.8030 -7.8030 -6.9938 -6.9938 -6.8168 -6.8168 -3.6417 -3.6417 -0.3478 -0.3478 -0.0806 -0.0806 0.7392 0.7392 1.4243 1.4243 1.5977 1.5977 1.7725 1.7725 2.2691 2.2691 2.4257 2.4257 4.7983 4.7983 6.9577 6.9577 8.3359 8.3359 9.7761 9.7761 k = 0.0000 0.5000 0.4252 ( 3480 PWs) bands (ev): -23.1189 -23.1189 -10.3068 -10.3068 -7.8033 -7.8033 -6.9942 -6.9942 -6.8167 -6.8167 -3.6522 -3.6522 -0.3515 -0.3515 -0.0852 -0.0852 0.7632 0.7632 1.4231 1.4231 1.5948 1.5948 1.7699 1.7699 2.2858 2.2858 2.4397 2.4397 4.7794 4.7794 6.9364 6.9364 8.3253 8.3253 9.8365 9.8365 k = 0.0000 0.5000 0.4394 ( 3484 PWs) bands (ev): -23.1189 -23.1189 -10.3062 -10.3062 -7.8035 -7.8035 -6.9944 -6.9944 -6.8166 -6.8166 -3.6585 -3.6585 -0.3537 -0.3537 -0.0880 -0.0880 0.7778 0.7778 1.4223 1.4223 1.5930 1.5930 1.7683 1.7683 2.2959 2.2959 2.4482 2.4482 4.7680 4.7680 6.9235 6.9235 8.3188 8.3188 9.8763 9.8763 k = 0.0000 0.5000 0.4536 ( 3476 PWs) bands (ev): -23.1189 -23.1189 -10.3060 -10.3060 -7.8036 -7.8036 -6.9945 -6.9945 -6.8166 -6.8166 -3.6606 -3.6606 -0.3544 -0.3544 -0.0889 -0.0889 0.7827 0.7827 1.4221 1.4221 1.5924 1.5924 1.7678 1.7678 2.2993 2.2993 2.4510 2.4510 4.7641 4.7641 6.9192 6.9192 8.3167 8.3167 9.8903 9.8903 k = 0.5000 0.5000-0.0000 ( 3440 PWs) bands (ev): -23.1130 -23.1130 -10.2543 -10.2543 -7.9154 -7.9154 -7.0866 -7.0866 -7.0448 -7.0448 -1.8987 -1.8987 -1.5639 -1.5639 0.6953 0.6953 0.7343 0.7343 0.9734 0.9734 1.0547 1.0547 1.4807 1.4807 1.7113 1.7113 2.2044 2.2044 7.3671 7.3671 7.4999 7.4999 7.5255 7.5255 7.6977 7.6977 k = 0.5000 0.5000 0.0142 ( 3452 PWs) bands (ev): -23.1130 -23.1130 -10.2541 -10.2541 -7.9154 -7.9154 -7.0866 -7.0866 -7.0449 -7.0449 -1.9249 -1.9249 -1.5364 -1.5364 0.6889 0.6889 0.7245 0.7245 0.9842 0.9842 1.0619 1.0619 1.4809 1.4809 1.7113 1.7113 2.2042 2.2042 7.3698 7.3698 7.4273 7.4273 7.4518 7.4518 7.7720 7.7720 k = 0.5000 0.5000 0.0283 ( 3460 PWs) bands (ev): -23.1130 -23.1130 -10.2535 -10.2535 -7.9155 -7.9155 -7.0865 -7.0865 -7.0452 -7.0452 -1.9875 -1.9875 -1.4702 -1.4702 0.6713 0.6713 0.6994 0.6994 1.0128 1.0128 1.0823 1.0823 1.4819 1.4819 1.7113 1.7113 2.2034 2.2034 7.3031 7.3031 7.3273 7.3273 7.3785 7.3785 7.9011 7.9011 k = 0.5000 0.5000 0.0425 ( 3476 PWs) bands (ev): -23.1129 -23.1129 -10.2525 -10.2525 -7.9157 -7.9157 -7.0864 -7.0864 -7.0457 -7.0457 -2.0653 -2.0653 -1.3864 -1.3864 0.6454 0.6454 0.6657 0.6657 1.0524 1.0524 1.1127 1.1127 1.4835 1.4835 1.7114 1.7114 2.2022 2.2022 7.1717 7.1717 7.1966 7.1966 7.3923 7.3923 8.0406 8.0406 k = 0.5000 0.5000 0.0567 ( 3476 PWs) bands (ev): -23.1129 -23.1129 -10.2511 -10.2511 -7.9159 -7.9159 -7.0862 -7.0862 -7.0465 -7.0465 -2.1487 -2.1487 -1.2945 -1.2945 0.6144 0.6144 0.6281 0.6281 1.0982 1.0982 1.1499 1.1499 1.4861 1.4861 1.7116 1.7116 2.2006 2.2006 7.0396 7.0396 7.0652 7.0652 7.4117 7.4117 8.1842 8.1842 k = 0.5000 0.5000 0.0709 ( 3476 PWs) bands (ev): -23.1129 -23.1129 -10.2493 -10.2493 -7.9161 -7.9161 -7.0860 -7.0860 -7.0474 -7.0474 -2.2340 -2.2340 -1.1984 -1.1984 0.5804 0.5804 0.5889 0.5889 1.1480 1.1480 1.1914 1.1914 1.4900 1.4900 1.7119 1.7119 2.1984 2.1984 6.9083 6.9083 6.9346 6.9346 7.4366 7.4366 8.3301 8.3301 k = 0.5000 0.5000 0.0850 ( 3476 PWs) bands (ev): -23.1128 -23.1128 -10.2472 -10.2472 -7.9164 -7.9164 -7.0857 -7.0857 -7.0485 -7.0485 -2.3193 -2.3193 -1.1000 -1.1000 0.5449 0.5449 0.5495 0.5495 1.2004 1.2004 1.2351 1.2351 1.4955 1.4955 1.7122 1.7122 2.1958 2.1958 6.7785 6.7785 6.8055 6.8055 7.4670 7.4670 8.4777 8.4777 k = 0.5000 0.5000 0.0992 ( 3476 PWs) bands (ev): -23.1128 -23.1128 -10.2448 -10.2448 -7.9168 -7.9168 -7.0854 -7.0854 -7.0498 -7.0498 -2.4037 -2.4037 -1.0003 -1.0003 0.5089 0.5089 0.5103 0.5103 1.2547 1.2547 1.2790 1.2790 1.5038 1.5038 1.7126 1.7126 2.1927 2.1927 6.6504 6.6504 6.6781 6.6781 7.5028 7.5028 8.6266 8.6266 k = 0.5000 0.5000 0.1134 ( 3476 PWs) bands (ev): -23.1127 -23.1127 -10.2420 -10.2420 -7.9172 -7.9172 -7.0850 -7.0850 -7.0512 -7.0512 -2.4867 -2.4867 -0.8999 -0.8999 0.4719 0.4719 0.4730 0.4730 1.3105 1.3105 1.3210 1.3210 1.5163 1.5163 1.7132 1.7132 2.1890 2.1890 6.5243 6.5243 6.5526 6.5526 7.5440 7.5440 8.7766 8.7766 k = 0.5000 0.5000 0.1276 ( 3484 PWs) bands (ev): -23.1126 -23.1126 -10.2389 -10.2389 -7.9176 -7.9176 -7.0846 -7.0846 -7.0528 -7.0528 -2.5678 -2.5678 -0.7992 -0.7992 0.4345 0.4345 0.4375 0.4375 1.3581 1.3581 1.3673 1.3673 1.5352 1.5352 1.7138 1.7138 2.1849 2.1849 6.4002 6.4002 6.4292 6.4292 7.5905 7.5905 8.9275 8.9275 k = 0.5000 0.5000 0.1417 ( 3484 PWs) bands (ev): -23.1126 -23.1126 -10.2356 -10.2356 -7.9181 -7.9181 -7.0842 -7.0842 -7.0545 -7.0545 -2.6469 -2.6469 -0.6986 -0.6986 0.3982 0.3982 0.4027 0.4027 1.3878 1.3878 1.4251 1.4251 1.5630 1.5630 1.7146 1.7146 2.1803 2.1803 6.2784 6.2784 6.3079 6.3079 7.6423 7.6423 9.0789 9.0789 k = 0.5000 0.5000 0.1559 ( 3480 PWs) bands (ev): -23.1125 -23.1125 -10.2320 -10.2320 -7.9186 -7.9186 -7.0838 -7.0838 -7.0563 -7.0563 -2.7236 -2.7236 -0.5985 -0.5985 0.3632 0.3632 0.3690 0.3690 1.4092 1.4092 1.4835 1.4835 1.6000 1.6000 1.7159 1.7159 2.1753 2.1753 6.1589 6.1589 6.1889 6.1889 7.6991 7.6991 9.2308 9.2308 k = 0.5000 0.5000 0.1701 ( 3496 PWs) bands (ev): -23.1124 -23.1124 -10.2282 -10.2282 -7.9192 -7.9192 -7.0833 -7.0833 -7.0582 -7.0582 -2.7978 -2.7978 -0.4992 -0.4992 0.3294 0.3294 0.3362 0.3362 1.4237 1.4237 1.5423 1.5423 1.6436 1.6436 1.7184 1.7184 2.1698 2.1698 6.0418 6.0418 6.0723 6.0723 7.7611 7.7611 9.3828 9.3828 k = 0.5000 0.5000 0.1843 ( 3496 PWs) bands (ev): -23.1123 -23.1123 -10.2242 -10.2242 -7.9197 -7.9197 -7.0828 -7.0828 -7.0601 -7.0601 -2.8693 -2.8693 -0.4010 -0.4010 0.2972 0.2972 0.3048 0.3048 1.4336 1.4336 1.6014 1.6014 1.6864 1.6864 1.7270 1.7270 2.1639 2.1639 5.9273 5.9273 5.9581 5.9581 7.8280 7.8280 9.5348 9.5348 k = 0.5000 0.5000 0.1984 ( 3492 PWs) bands (ev): -23.1122 -23.1122 -10.2202 -10.2202 -7.9203 -7.9203 -7.0823 -7.0823 -7.0622 -7.0622 -2.9379 -2.9379 -0.3042 -0.3042 0.2665 0.2665 0.2747 0.2747 1.4406 1.4406 1.6605 1.6605 1.7066 1.7066 1.7618 1.7618 2.1578 2.1578 5.8155 5.8155 5.8466 5.8466 7.8997 7.8997 9.6863 9.6864 k = 0.5000 0.5000 0.2126 ( 3500 PWs) bands (ev): -23.1121 -23.1121 -10.2160 -10.2160 -7.9210 -7.9210 -7.0817 -7.0817 -7.0642 -7.0642 -3.0037 -3.0037 -0.2091 -0.2091 0.2373 0.2373 0.2459 0.2459 1.4457 1.4457 1.7110 1.7110 1.7190 1.7190 1.8143 1.8143 2.1516 2.1516 5.7065 5.7065 5.7378 5.7378 7.9761 7.9761 9.8356 9.8357 k = 0.5000 0.5000 0.2268 ( 3492 PWs) bands (ev): -23.1120 -23.1120 -10.2117 -10.2117 -7.9216 -7.9216 -7.0812 -7.0812 -7.0663 -7.0663 -3.0663 -3.0663 -0.1161 -0.1161 0.2098 0.2098 0.2186 0.2186 1.4498 1.4498 1.7128 1.7128 1.7766 1.7766 1.8708 1.8708 2.1457 2.1457 5.6004 5.6004 5.6320 5.6320 8.0569 8.0569 9.9836 9.9836 k = 0.5000 0.5000 0.2410 ( 3492 PWs) bands (ev): -23.1119 -23.1119 -10.2075 -10.2075 -7.9222 -7.9222 -7.0807 -7.0807 -7.0683 -7.0683 -3.1257 -3.1257 -0.0257 -0.0257 0.1843 0.1843 0.1928 0.1928 1.4531 1.4531 1.7139 1.7139 1.8324 1.8324 1.9285 1.9285 2.1406 2.1406 5.4976 5.4976 5.5292 5.5292 8.1421 8.1421 10.1300 10.1300 k = 0.5000 0.5000 0.2551 ( 3476 PWs) bands (ev): -23.1118 -23.1118 -10.2033 -10.2033 -7.9229 -7.9229 -7.0802 -7.0802 -7.0703 -7.0703 -3.1818 -3.1818 0.0604 0.0604 0.1620 0.1620 0.1685 0.1685 1.4559 1.4559 1.7148 1.7148 1.8851 1.8851 1.9867 1.9867 2.1375 2.1375 5.3981 5.3981 5.4298 5.4298 8.2313 8.2313 10.2743 10.2744 k = 0.5000 0.5000 0.2693 ( 3468 PWs) bands (ev): -23.1118 -23.1118 -10.1991 -10.1991 -7.9235 -7.9235 -7.0796 -7.0796 -7.0723 -7.0723 -3.2345 -3.2345 0.1205 0.1205 0.1458 0.1458 0.1643 0.1643 1.4583 1.4583 1.7155 1.7155 1.9323 1.9323 2.0447 2.0447 2.1385 2.1385 5.3022 5.3022 5.3339 5.3339 8.3243 8.3243 10.4160 10.4166 k = 0.5000 0.5000 0.2835 ( 3476 PWs) bands (ev): -23.1117 -23.1117 -10.1950 -10.1950 -7.9241 -7.9241 -7.0791 -7.0791 -7.0742 -7.0742 -3.2838 -3.2838 0.1098 0.1098 0.1246 0.1246 0.2357 0.2357 1.4603 1.4603 1.7162 1.7162 1.9700 1.9700 2.1020 2.1020 2.1472 2.1472 5.2102 5.2102 5.2418 5.2418 8.4206 8.4206 10.5544 10.5559 k = 0.5000 0.5000 0.2976 ( 3476 PWs) bands (ev): -23.1116 -23.1116 -10.1911 -10.1911 -7.9247 -7.9247 -7.0787 -7.0787 -7.0760 -7.0760 -3.3294 -3.3294 0.0915 0.0915 0.1051 0.1051 0.3126 0.3126 1.4621 1.4621 1.7167 1.7167 1.9941 1.9941 2.1582 2.1582 2.1677 2.1677 5.1225 5.1225 5.1539 5.1539 8.5200 8.5200 10.6885 10.6885 k = 0.5000 0.5000 0.3118 ( 3476 PWs) bands (ev): -23.1115 -23.1115 -10.1874 -10.1874 -7.9252 -7.9252 -7.0782 -7.0782 -7.0778 -7.0778 -3.3714 -3.3714 0.0740 0.0740 0.0872 0.0872 0.3862 0.3862 1.4637 1.4637 1.7172 1.7172 2.0044 2.0044 2.1999 2.1999 2.2128 2.2128 5.0393 5.0393 5.0706 5.0706 8.6218 8.6218 10.6781 10.6781 k = 0.5000 0.5000 0.3260 ( 3484 PWs) bands (ev): -23.1114 -23.1114 -10.1839 -10.1839 -7.9258 -7.9258 -7.0794 -7.0794 -7.0778 -7.0778 -3.4096 -3.4096 0.0578 0.0578 0.0709 0.0709 0.4554 0.4554 1.4650 1.4650 1.7176 1.7176 2.0049 2.0049 2.2391 2.2391 2.2653 2.2653 4.9613 4.9613 4.9923 4.9923 8.7254 8.7254 10.6467 10.6467 k = 0.5000 0.5000 0.3402 ( 3492 PWs) bands (ev): -23.1114 -23.1114 -10.1807 -10.1807 -7.9263 -7.9263 -7.0809 -7.0809 -7.0774 -7.0774 -3.4440 -3.4440 0.0433 0.0433 0.0563 0.0563 0.5197 0.5197 1.4662 1.4662 1.7180 1.7180 2.0001 2.0001 2.2809 2.2809 2.3151 2.3151 4.8888 4.8888 4.9195 4.9195 8.8298 8.8298 10.6165 10.6165 k = 0.5000 0.5000 0.3543 ( 3492 PWs) bands (ev): -23.1113 -23.1113 -10.1778 -10.1778 -7.9267 -7.9267 -7.0822 -7.0822 -7.0770 -7.0770 -3.4745 -3.4745 0.0304 0.0304 0.0434 0.0434 0.5784 0.5784 1.4672 1.4672 1.7184 1.7184 1.9926 1.9926 2.3222 2.3222 2.3615 2.3615 4.8225 4.8225 4.8529 4.8529 8.9338 8.9338 10.5882 10.5882 k = 0.5000 0.5000 0.3685 ( 3492 PWs) bands (ev): -23.1112 -23.1112 -10.1752 -10.1752 -7.9271 -7.9271 -7.0834 -7.0834 -7.0767 -7.0767 -3.5010 -3.5010 0.0192 0.0192 0.0322 0.0322 0.6310 0.6310 1.4681 1.4681 1.7187 1.7187 1.9839 1.9839 2.3611 2.3611 2.4040 2.4040 4.7630 4.7630 4.7930 4.7930 9.0359 9.0359 10.5625 10.5625 k = 0.5000 0.5000 0.3827 ( 3488 PWs) bands (ev): -23.1112 -23.1112 -10.1729 -10.1729 -7.9275 -7.9275 -7.0844 -7.0844 -7.0764 -7.0764 -3.5236 -3.5236 0.0097 0.0097 0.0227 0.0227 0.6769 0.6769 1.4689 1.4689 1.7190 1.7190 1.9751 1.9751 2.3963 2.3963 2.4417 2.4417 4.7110 4.7110 4.7406 4.7406 9.1337 9.1337 10.5398 10.5398 k = 0.5000 0.5000 0.3969 ( 3480 PWs) bands (ev): -23.1112 -23.1112 -10.1710 -10.1710 -7.9278 -7.9278 -7.0852 -7.0852 -7.0762 -7.0762 -3.5421 -3.5421 0.0019 0.0019 0.0150 0.0150 0.7154 0.7154 1.4695 1.4695 1.7193 1.7193 1.9668 1.9668 2.4267 2.4267 2.4739 2.4739 4.6672 4.6672 4.6964 4.6964 9.2243 9.2243 10.5206 10.5206 k = 0.5000 0.5000 0.4110 ( 3488 PWs) bands (ev): -23.1111 -23.1111 -10.1695 -10.1695 -7.9280 -7.9280 -7.0859 -7.0859 -7.0760 -7.0760 -3.5565 -3.5565 -0.0042 -0.0042 0.0089 0.0089 0.7461 0.7461 1.4700 1.4700 1.7194 1.7194 1.9597 1.9597 2.4513 2.4513 2.4999 2.4999 4.6322 4.6322 4.6611 4.6611 9.3036 9.3036 10.5052 10.5052 k = 0.5000 0.5000 0.4252 ( 3496 PWs) bands (ev): -23.1111 -23.1111 -10.1685 -10.1685 -7.9282 -7.9282 -7.0864 -7.0864 -7.0759 -7.0759 -3.5669 -3.5669 -0.0085 -0.0085 0.0046 0.0046 0.7685 0.7685 1.4703 1.4703 1.7195 1.7195 1.9542 1.9542 2.4695 2.4695 2.5190 2.5190 4.6067 4.6067 4.6354 4.6354 9.3664 9.3664 10.4941 10.4941 k = 0.5000 0.5000 0.4394 ( 3496 PWs) bands (ev): -23.1111 -23.1111 -10.1679 -10.1679 -7.9283 -7.9283 -7.0867 -7.0867 -7.0758 -7.0758 -3.5731 -3.5731 -0.0111 -0.0111 0.0020 0.0020 0.7820 0.7820 1.4705 1.4705 1.7196 1.7196 1.9508 1.9508 2.4806 2.4806 2.5307 2.5307 4.5912 4.5912 4.6197 4.6197 9.4073 9.4073 10.4873 10.4873 k = 0.5000 0.5000 0.4536 ( 3512 PWs) bands (ev): -23.1111 -23.1111 -10.1676 -10.1676 -7.9283 -7.9283 -7.0868 -7.0868 -7.0758 -7.0758 -3.5752 -3.5752 -0.0120 -0.0120 0.0011 0.0011 0.7866 0.7866 1.4705 1.4705 1.7196 1.7196 1.9495 1.9495 2.4843 2.4843 2.5346 2.5346 4.5860 4.5860 4.6145 4.6145 9.4215 9.4215 10.4850 10.4850 Writing output data file RbCuC2.save init_run : 0.26s CPU 0.64s WALL ( 1 calls) electrons : 87.09s CPU 90.00s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 87.08s CPU 89.99s 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 : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.06s WALL ( 349 calls) cegterg : 78.32s CPU 79.60s WALL ( 475 calls) Called by sum_band: Called by *egterg: h_psi : 47.40s CPU 48.80s WALL ( 7694 calls) s_psi : 2.58s CPU 2.53s WALL ( 7694 calls) g_psi : 0.13s CPU 0.14s WALL ( 6870 calls) cdiaghg : 28.80s CPU 28.60s WALL ( 7219 calls) cegterg:over : 2.38s CPU 2.51s WALL ( 6870 calls) cegterg:upda : 1.84s CPU 1.94s WALL ( 6870 calls) cegterg:last : 1.12s CPU 1.22s WALL ( 1173 calls) cdiaghg:chol : 1.46s CPU 1.53s WALL ( 7219 calls) cdiaghg:inve : 0.82s CPU 0.71s WALL ( 7219 calls) cdiaghg:para : 1.57s CPU 1.71s WALL ( 14438 calls) Called by h_psi: h_psi:vloc : 42.68s CPU 44.03s WALL ( 7694 calls) h_psi:vnl : 4.60s CPU 4.67s WALL ( 7694 calls) add_vuspsi : 2.40s CPU 2.42s WALL ( 7694 calls) General routines calbec : 2.16s CPU 2.22s WALL ( 7694 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 40.06s CPU 41.23s WALL ( 537924 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.15s WALL ( 698 calls) Parallel routines fft_scatter : 14.61s CPU 15.06s WALL ( 537947 calls) PWSCF : 1m39.20s CPU 2m20.56s WALL This run was terminated on: 16:12:52 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=