Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:42:49 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./H4NClO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 102 59 17 2786 1221 195 Max 103 60 18 2789 1244 198 Sum 3705 2145 633 100337 44439 7073 bravais-lattice index = 14 lattice parameter (alat) = 11.9803 a.u. unit-cell volume = 1018.7310 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 4 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.980296 celldm(2)= 1.000000 celldm(3)= 0.592457 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 0.592457 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.687886 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) N 5.00 14.00670 N( 1.00) Cl 7.00 35.45300 Cl( 1.00) 8 Sym. Ops. (no inversion) found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 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 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 5) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 6) = ( 0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 7 inv. 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 inv. 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 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E 2S4 -2S4 C2 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 G_7 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2S4 7 8 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -7 -8 inv. 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] 2s_d -2s_d 5 -5 6 -6 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 307 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0200000 -0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0400000 -0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0600000 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0800000 -0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.1200000 -0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.1400000 -0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1600000 -0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1800000 -0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.2200000 -0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.2400000 -0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.2600000 -0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.2800000 -0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.3200000 -0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.3400000 -0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.3600000 -0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.3800000 -0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.4400000 -0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.4600000 -0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.4800000 -0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 28) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0032573 k( 29) = ( 0.0400000 0.5000000 -0.0000000), wk = 0.0032573 k( 30) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0032573 k( 31) = ( 0.0800000 0.5000000 -0.0000000), wk = 0.0032573 k( 32) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032573 k( 33) = ( 0.1200000 0.5000000 -0.0000000), wk = 0.0032573 k( 34) = ( 0.1400000 0.5000000 -0.0000000), wk = 0.0032573 k( 35) = ( 0.1600000 0.5000000 -0.0000000), wk = 0.0032573 k( 36) = ( 0.1800000 0.5000000 -0.0000000), wk = 0.0032573 k( 37) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032573 k( 38) = ( 0.2200000 0.5000000 -0.0000000), wk = 0.0032573 k( 39) = ( 0.2400000 0.5000000 -0.0000000), wk = 0.0032573 k( 40) = ( 0.2600000 0.5000000 -0.0000000), wk = 0.0032573 k( 41) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0032573 k( 42) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 43) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0032573 k( 44) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0032573 k( 45) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0032573 k( 46) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0032573 k( 47) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032573 k( 48) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0032573 k( 49) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0032573 k( 50) = ( 0.4600000 0.5000000 -0.0000000), wk = 0.0032573 k( 51) = ( 0.4800000 0.5000000 -0.0000000), wk = 0.0032573 k( 52) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 53) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 54) = ( 0.4861111 0.4861111 -0.0000000), wk = 0.0032573 k( 55) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0032573 k( 56) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0032573 k( 57) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0032573 k( 58) = ( 0.4305556 0.4305556 -0.0000000), wk = 0.0032573 k( 59) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0032573 k( 60) = ( 0.4027778 0.4027778 -0.0000000), wk = 0.0032573 k( 61) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0032573 k( 62) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0032573 k( 63) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0032573 k( 64) = ( 0.3472222 0.3472222 -0.0000000), wk = 0.0032573 k( 65) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032573 k( 66) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0032573 k( 68) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0032573 k( 69) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0032573 k( 70) = ( 0.2638889 0.2638889 -0.0000000), wk = 0.0032573 k( 71) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032573 k( 72) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0032573 k( 73) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0032573 k( 74) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0032573 k( 75) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0032573 k( 76) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0032573 k( 77) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032573 k( 78) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0032573 k( 79) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0032573 k( 80) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0032573 k( 81) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0032573 k( 82) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0032573 k( 83) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0032573 k( 84) = ( 0.0694444 0.0694444 -0.0000000), wk = 0.0032573 k( 85) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0032573 k( 86) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0032573 k( 87) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0032573 k( 88) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0032573 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 90) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 91) = ( 0.0000000 0.0000000 0.0200939), wk = 0.0032573 k( 92) = ( 0.0000000 0.0000000 0.0401878), wk = 0.0032573 k( 93) = ( 0.0000000 0.0000000 0.0602817), wk = 0.0032573 k( 94) = ( 0.0000000 0.0000000 0.0803755), wk = 0.0032573 k( 95) = ( 0.0000000 0.0000000 0.1004694), wk = 0.0032573 k( 96) = ( 0.0000000 0.0000000 0.1205633), wk = 0.0032573 k( 97) = ( 0.0000000 0.0000000 0.1406572), wk = 0.0032573 k( 98) = ( 0.0000000 0.0000000 0.1607511), wk = 0.0032573 k( 99) = ( 0.0000000 0.0000000 0.1808449), wk = 0.0032573 k( 100) = ( 0.0000000 0.0000000 0.2009388), wk = 0.0032573 k( 101) = ( 0.0000000 0.0000000 0.2210327), wk = 0.0032573 k( 102) = ( 0.0000000 0.0000000 0.2411266), wk = 0.0032573 k( 103) = ( 0.0000000 0.0000000 0.2612205), wk = 0.0032573 k( 104) = ( 0.0000000 0.0000000 0.2813143), wk = 0.0032573 k( 105) = ( 0.0000000 0.0000000 0.3014082), wk = 0.0032573 k( 106) = ( 0.0000000 0.0000000 0.3215021), wk = 0.0032573 k( 107) = ( 0.0000000 0.0000000 0.3415960), wk = 0.0032573 k( 108) = ( 0.0000000 0.0000000 0.3616899), wk = 0.0032573 k( 109) = ( 0.0000000 0.0000000 0.3817838), wk = 0.0032573 k( 110) = ( 0.0000000 0.0000000 0.4018776), wk = 0.0032573 k( 111) = ( 0.0000000 0.0000000 0.4219715), wk = 0.0032573 k( 112) = ( 0.0000000 0.0000000 0.4420654), wk = 0.0032573 k( 113) = ( 0.0000000 0.0000000 0.4621593), wk = 0.0032573 k( 114) = ( 0.0000000 0.0000000 0.4822532), wk = 0.0032573 k( 115) = ( 0.0000000 0.0000000 0.5023470), wk = 0.0032573 k( 116) = ( 0.0000000 0.0000000 0.5224409), wk = 0.0032573 k( 117) = ( 0.0000000 0.0000000 0.5425348), wk = 0.0032573 k( 118) = ( 0.0000000 0.0000000 0.5626287), wk = 0.0032573 k( 119) = ( 0.0000000 0.0000000 0.5827226), wk = 0.0032573 k( 120) = ( 0.0000000 0.0000000 0.6028165), wk = 0.0032573 k( 121) = ( 0.0000000 0.0000000 0.6229103), wk = 0.0032573 k( 122) = ( 0.0000000 0.0000000 0.6430042), wk = 0.0032573 k( 123) = ( 0.0000000 0.0000000 0.6630981), wk = 0.0032573 k( 124) = ( 0.0000000 0.0000000 0.6831920), wk = 0.0032573 k( 125) = ( 0.0000000 0.0000000 0.7032859), wk = 0.0032573 k( 126) = ( 0.0000000 0.0000000 0.7233797), wk = 0.0032573 k( 127) = ( 0.0000000 0.0000000 0.7434736), wk = 0.0032573 k( 128) = ( 0.0000000 0.0000000 0.7635675), wk = 0.0032573 k( 129) = ( 0.0000000 0.0000000 0.7836614), wk = 0.0032573 k( 130) = ( 0.0000000 0.0000000 0.8037553), wk = 0.0032573 k( 131) = ( 0.0000000 0.0000000 0.8238491), wk = 0.0032573 k( 132) = ( 0.0000000 0.0000000 0.8439430), wk = 0.0032573 k( 133) = ( 0.0000000 0.0000000 0.8439430), wk = 0.0032573 k( 134) = ( 0.0000000 0.0200000 0.8439430), wk = 0.0032573 k( 135) = ( 0.0000000 0.0400000 0.8439430), wk = 0.0032573 k( 136) = ( 0.0000000 0.0600000 0.8439430), wk = 0.0032573 k( 137) = ( 0.0000000 0.0800000 0.8439430), wk = 0.0032573 k( 138) = ( 0.0000000 0.1000000 0.8439430), wk = 0.0032573 k( 139) = ( 0.0000000 0.1200000 0.8439430), wk = 0.0032573 k( 140) = ( 0.0000000 0.1400000 0.8439430), wk = 0.0032573 k( 141) = ( 0.0000000 0.1600000 0.8439430), wk = 0.0032573 k( 142) = ( 0.0000000 0.1800000 0.8439430), wk = 0.0032573 k( 143) = ( 0.0000000 0.2000000 0.8439430), wk = 0.0032573 k( 144) = ( 0.0000000 0.2200000 0.8439430), wk = 0.0032573 k( 145) = ( 0.0000000 0.2400000 0.8439430), wk = 0.0032573 k( 146) = ( 0.0000000 0.2600000 0.8439430), wk = 0.0032573 k( 147) = ( 0.0000000 0.2800000 0.8439430), wk = 0.0032573 k( 148) = ( 0.0000000 0.3000000 0.8439430), wk = 0.0032573 k( 149) = ( 0.0000000 0.3200000 0.8439430), wk = 0.0032573 k( 150) = ( 0.0000000 0.3400000 0.8439430), wk = 0.0032573 k( 151) = ( 0.0000000 0.3600000 0.8439430), wk = 0.0032573 k( 152) = ( 0.0000000 0.3800000 0.8439430), wk = 0.0032573 k( 153) = ( 0.0000000 0.4000000 0.8439430), wk = 0.0032573 k( 154) = ( 0.0000000 0.4200000 0.8439430), wk = 0.0032573 k( 155) = ( 0.0000000 0.4400000 0.8439430), wk = 0.0032573 k( 156) = ( 0.0000000 0.4600000 0.8439430), wk = 0.0032573 k( 157) = ( 0.0000000 0.4800000 0.8439430), wk = 0.0032573 k( 158) = ( 0.0000000 0.5000000 0.8439430), wk = 0.0032573 k( 159) = ( 0.0000000 0.5000000 0.8439430), wk = 0.0032573 k( 160) = ( 0.0200000 0.5000000 0.8439430), wk = 0.0032573 k( 161) = ( 0.0400000 0.5000000 0.8439430), wk = 0.0032573 k( 162) = ( 0.0600000 0.5000000 0.8439430), wk = 0.0032573 k( 163) = ( 0.0800000 0.5000000 0.8439430), wk = 0.0032573 k( 164) = ( 0.1000000 0.5000000 0.8439430), wk = 0.0032573 k( 165) = ( 0.1200000 0.5000000 0.8439430), wk = 0.0032573 k( 166) = ( 0.1400000 0.5000000 0.8439430), wk = 0.0032573 k( 167) = ( 0.1600000 0.5000000 0.8439430), wk = 0.0032573 k( 168) = ( 0.1800000 0.5000000 0.8439430), wk = 0.0032573 k( 169) = ( 0.2000000 0.5000000 0.8439430), wk = 0.0032573 k( 170) = ( 0.2200000 0.5000000 0.8439430), wk = 0.0032573 k( 171) = ( 0.2400000 0.5000000 0.8439430), wk = 0.0032573 k( 172) = ( 0.2600000 0.5000000 0.8439430), wk = 0.0032573 k( 173) = ( 0.2800000 0.5000000 0.8439430), wk = 0.0032573 k( 174) = ( 0.3000000 0.5000000 0.8439430), wk = 0.0032573 k( 175) = ( 0.3200000 0.5000000 0.8439430), wk = 0.0032573 k( 176) = ( 0.3400000 0.5000000 0.8439430), wk = 0.0032573 k( 177) = ( 0.3600000 0.5000000 0.8439430), wk = 0.0032573 k( 178) = ( 0.3800000 0.5000000 0.8439430), wk = 0.0032573 k( 179) = ( 0.4000000 0.5000000 0.8439430), wk = 0.0032573 k( 180) = ( 0.4200000 0.5000000 0.8439430), wk = 0.0032573 k( 181) = ( 0.4400000 0.5000000 0.8439430), wk = 0.0032573 k( 182) = ( 0.4600000 0.5000000 0.8439430), wk = 0.0032573 k( 183) = ( 0.4800000 0.5000000 0.8439430), wk = 0.0032573 k( 184) = ( 0.5000000 0.5000000 0.8439430), wk = 0.0032573 k( 185) = ( 0.5000000 0.5000000 0.8439430), wk = 0.0032573 k( 186) = ( 0.4861111 0.4861111 0.8439430), wk = 0.0032573 k( 187) = ( 0.4722222 0.4722222 0.8439430), wk = 0.0032573 k( 188) = ( 0.4583333 0.4583333 0.8439430), wk = 0.0032573 k( 189) = ( 0.4444444 0.4444444 0.8439430), wk = 0.0032573 k( 190) = ( 0.4305556 0.4305556 0.8439430), wk = 0.0032573 k( 191) = ( 0.4166667 0.4166667 0.8439430), wk = 0.0032573 k( 192) = ( 0.4027778 0.4027778 0.8439430), wk = 0.0032573 k( 193) = ( 0.3888889 0.3888889 0.8439430), wk = 0.0032573 k( 194) = ( 0.3750000 0.3750000 0.8439430), wk = 0.0032573 k( 195) = ( 0.3611111 0.3611111 0.8439430), wk = 0.0032573 k( 196) = ( 0.3472222 0.3472222 0.8439430), wk = 0.0032573 k( 197) = ( 0.3333333 0.3333333 0.8439430), wk = 0.0032573 k( 198) = ( 0.3194444 0.3194444 0.8439430), wk = 0.0032573 k( 199) = ( 0.3055556 0.3055556 0.8439430), wk = 0.0032573 k( 200) = ( 0.2916667 0.2916667 0.8439430), wk = 0.0032573 k( 201) = ( 0.2777778 0.2777778 0.8439430), wk = 0.0032573 k( 202) = ( 0.2638889 0.2638889 0.8439430), wk = 0.0032573 k( 203) = ( 0.2500000 0.2500000 0.8439430), wk = 0.0032573 k( 204) = ( 0.2361111 0.2361111 0.8439430), wk = 0.0032573 k( 205) = ( 0.2222222 0.2222222 0.8439430), wk = 0.0032573 k( 206) = ( 0.2083333 0.2083333 0.8439430), wk = 0.0032573 k( 207) = ( 0.1944444 0.1944444 0.8439430), wk = 0.0032573 k( 208) = ( 0.1805556 0.1805556 0.8439430), wk = 0.0032573 k( 209) = ( 0.1666667 0.1666667 0.8439430), wk = 0.0032573 k( 210) = ( 0.1527778 0.1527778 0.8439430), wk = 0.0032573 k( 211) = ( 0.1388889 0.1388889 0.8439430), wk = 0.0032573 k( 212) = ( 0.1250000 0.1250000 0.8439430), wk = 0.0032573 k( 213) = ( 0.1111111 0.1111111 0.8439430), wk = 0.0032573 k( 214) = ( 0.0972222 0.0972222 0.8439430), wk = 0.0032573 k( 215) = ( 0.0833333 0.0833333 0.8439430), wk = 0.0032573 k( 216) = ( 0.0694444 0.0694444 0.8439430), wk = 0.0032573 k( 217) = ( 0.0555556 0.0555556 0.8439430), wk = 0.0032573 k( 218) = ( 0.0416667 0.0416667 0.8439430), wk = 0.0032573 k( 219) = ( 0.0277778 0.0277778 0.8439430), wk = 0.0032573 k( 220) = ( 0.0138889 0.0138889 0.8439430), wk = 0.0032573 k( 221) = ( 0.0000000 0.0000000 0.8439430), wk = 0.0032573 k( 222) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 223) = ( 0.0000000 0.5000000 0.0200939), wk = 0.0032573 k( 224) = ( 0.0000000 0.5000000 0.0401878), wk = 0.0032573 k( 225) = ( 0.0000000 0.5000000 0.0602817), wk = 0.0032573 k( 226) = ( 0.0000000 0.5000000 0.0803755), wk = 0.0032573 k( 227) = ( 0.0000000 0.5000000 0.1004694), wk = 0.0032573 k( 228) = ( 0.0000000 0.5000000 0.1205633), wk = 0.0032573 k( 229) = ( 0.0000000 0.5000000 0.1406572), wk = 0.0032573 k( 230) = ( 0.0000000 0.5000000 0.1607511), wk = 0.0032573 k( 231) = ( 0.0000000 0.5000000 0.1808449), wk = 0.0032573 k( 232) = ( 0.0000000 0.5000000 0.2009388), wk = 0.0032573 k( 233) = ( 0.0000000 0.5000000 0.2210327), wk = 0.0032573 k( 234) = ( 0.0000000 0.5000000 0.2411266), wk = 0.0032573 k( 235) = ( 0.0000000 0.5000000 0.2612205), wk = 0.0032573 k( 236) = ( 0.0000000 0.5000000 0.2813143), wk = 0.0032573 k( 237) = ( 0.0000000 0.5000000 0.3014082), wk = 0.0032573 k( 238) = ( 0.0000000 0.5000000 0.3215021), wk = 0.0032573 k( 239) = ( 0.0000000 0.5000000 0.3415960), wk = 0.0032573 k( 240) = ( 0.0000000 0.5000000 0.3616899), wk = 0.0032573 k( 241) = ( 0.0000000 0.5000000 0.3817838), wk = 0.0032573 k( 242) = ( 0.0000000 0.5000000 0.4018776), wk = 0.0032573 k( 243) = ( 0.0000000 0.5000000 0.4219715), wk = 0.0032573 k( 244) = ( 0.0000000 0.5000000 0.4420654), wk = 0.0032573 k( 245) = ( 0.0000000 0.5000000 0.4621593), wk = 0.0032573 k( 246) = ( 0.0000000 0.5000000 0.4822532), wk = 0.0032573 k( 247) = ( 0.0000000 0.5000000 0.5023470), wk = 0.0032573 k( 248) = ( 0.0000000 0.5000000 0.5224409), wk = 0.0032573 k( 249) = ( 0.0000000 0.5000000 0.5425348), wk = 0.0032573 k( 250) = ( 0.0000000 0.5000000 0.5626287), wk = 0.0032573 k( 251) = ( 0.0000000 0.5000000 0.5827226), wk = 0.0032573 k( 252) = ( 0.0000000 0.5000000 0.6028165), wk = 0.0032573 k( 253) = ( 0.0000000 0.5000000 0.6229103), wk = 0.0032573 k( 254) = ( 0.0000000 0.5000000 0.6430042), wk = 0.0032573 k( 255) = ( 0.0000000 0.5000000 0.6630981), wk = 0.0032573 k( 256) = ( 0.0000000 0.5000000 0.6831920), wk = 0.0032573 k( 257) = ( 0.0000000 0.5000000 0.7032859), wk = 0.0032573 k( 258) = ( 0.0000000 0.5000000 0.7233797), wk = 0.0032573 k( 259) = ( 0.0000000 0.5000000 0.7434736), wk = 0.0032573 k( 260) = ( 0.0000000 0.5000000 0.7635675), wk = 0.0032573 k( 261) = ( 0.0000000 0.5000000 0.7836614), wk = 0.0032573 k( 262) = ( 0.0000000 0.5000000 0.8037553), wk = 0.0032573 k( 263) = ( 0.0000000 0.5000000 0.8238491), wk = 0.0032573 k( 264) = ( 0.0000000 0.5000000 0.8439430), wk = 0.0032573 k( 265) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 266) = ( 0.5000000 0.5000000 0.0200939), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 0.0401878), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0602817), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0803755), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.1004694), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.1205633), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.1406572), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.1607511), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.1808449), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.2009388), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.2210327), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.2411266), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.2612205), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.2813143), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.3014082), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.3215021), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.3415960), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.3616899), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.3817838), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.4018776), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.4219715), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.4420654), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.4621593), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.4822532), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.5023470), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.5224409), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.5425348), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.5626287), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.5827226), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.6028165), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.6229103), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.6430042), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.6630981), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.6831920), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.7032859), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.7233797), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.7434736), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.7635675), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.7836614), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.8037553), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.8238491), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.8439430), wk = 0.0032573 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0200000 0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0400000 0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0600000 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0800000 0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.1200000 -0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.1400000 0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1600000 0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1800000 0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.2200000 0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.2400000 -0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.2600000 0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.2800000 0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.3200000 0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.3400000 0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.3600000 0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.3800000 0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.4200000 0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.4400000 0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.4600000 0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.4800000 -0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 28) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0032573 k( 29) = ( 0.0400000 0.5000000 -0.0000000), wk = 0.0032573 k( 30) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0032573 k( 31) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0032573 k( 32) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032573 k( 33) = ( 0.1200000 0.5000000 -0.0000000), wk = 0.0032573 k( 34) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0032573 k( 35) = ( 0.1600000 0.5000000 -0.0000000), wk = 0.0032573 k( 36) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0032573 k( 37) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032573 k( 38) = ( 0.2200000 0.5000000 -0.0000000), wk = 0.0032573 k( 39) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0032573 k( 40) = ( 0.2600000 0.5000000 -0.0000000), wk = 0.0032573 k( 41) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0032573 k( 42) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 43) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0032573 k( 44) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0032573 k( 45) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0032573 k( 46) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0032573 k( 47) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032573 k( 48) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0032573 k( 49) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0032573 k( 50) = ( 0.4600000 0.5000000 -0.0000000), wk = 0.0032573 k( 51) = ( 0.4800000 0.5000000 -0.0000000), wk = 0.0032573 k( 52) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 53) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 54) = ( 0.4861111 0.4861111 -0.0000000), wk = 0.0032573 k( 55) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0032573 k( 56) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0032573 k( 57) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0032573 k( 58) = ( 0.4305556 0.4305556 -0.0000000), wk = 0.0032573 k( 59) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0032573 k( 60) = ( 0.4027778 0.4027778 -0.0000000), wk = 0.0032573 k( 61) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0032573 k( 62) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0032573 k( 63) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0032573 k( 64) = ( 0.3472222 0.3472222 -0.0000000), wk = 0.0032573 k( 65) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032573 k( 66) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0032573 k( 68) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0032573 k( 69) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0032573 k( 70) = ( 0.2638889 0.2638889 -0.0000000), wk = 0.0032573 k( 71) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032573 k( 72) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0032573 k( 73) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0032573 k( 74) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0032573 k( 75) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0032573 k( 76) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0032573 k( 77) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032573 k( 78) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0032573 k( 79) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0032573 k( 80) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0032573 k( 81) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0032573 k( 82) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0032573 k( 83) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0032573 k( 84) = ( 0.0694444 0.0694444 -0.0000000), wk = 0.0032573 k( 85) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0032573 k( 86) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0032573 k( 87) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0032573 k( 88) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0032573 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 90) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 91) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0032573 k( 92) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0032573 k( 93) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0032573 k( 94) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0032573 k( 95) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0032573 k( 96) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0032573 k( 97) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0032573 k( 98) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0032573 k( 99) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0032573 k( 100) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0032573 k( 101) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0032573 k( 102) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0032573 k( 103) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0032573 k( 104) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0032573 k( 105) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0032573 k( 106) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0032573 k( 107) = ( 0.0000000 0.0000000 0.2023810), wk = 0.0032573 k( 108) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0032573 k( 109) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0032573 k( 110) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0032573 k( 111) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032573 k( 112) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0032573 k( 113) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0032573 k( 114) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0032573 k( 115) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0032573 k( 116) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0032573 k( 117) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0032573 k( 118) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0032573 k( 119) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0032573 k( 120) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0032573 k( 121) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0032573 k( 122) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0032573 k( 123) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0032573 k( 124) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0032573 k( 125) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0032573 k( 126) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0032573 k( 127) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0032573 k( 128) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0032573 k( 129) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0032573 k( 130) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0032573 k( 131) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0032573 k( 132) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032573 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032573 k( 134) = ( 0.0000000 0.0200000 0.5000000), wk = 0.0032573 k( 135) = ( 0.0000000 0.0400000 0.5000000), wk = 0.0032573 k( 136) = ( 0.0000000 0.0600000 0.5000000), wk = 0.0032573 k( 137) = ( 0.0000000 0.0800000 0.5000000), wk = 0.0032573 k( 138) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.1200000 0.5000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.1400000 0.5000000), wk = 0.0032573 k( 141) = ( 0.0000000 0.1600000 0.5000000), wk = 0.0032573 k( 142) = ( 0.0000000 0.1800000 0.5000000), wk = 0.0032573 k( 143) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0032573 k( 144) = ( 0.0000000 0.2200000 0.5000000), wk = 0.0032573 k( 145) = ( 0.0000000 0.2400000 0.5000000), wk = 0.0032573 k( 146) = ( 0.0000000 0.2600000 0.5000000), wk = 0.0032573 k( 147) = ( 0.0000000 0.2800000 0.5000000), wk = 0.0032573 k( 148) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0032573 k( 149) = ( 0.0000000 0.3200000 0.5000000), wk = 0.0032573 k( 150) = ( 0.0000000 0.3400000 0.5000000), wk = 0.0032573 k( 151) = ( 0.0000000 0.3600000 0.5000000), wk = 0.0032573 k( 152) = ( 0.0000000 0.3800000 0.5000000), wk = 0.0032573 k( 153) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0032573 k( 154) = ( 0.0000000 0.4200000 0.5000000), wk = 0.0032573 k( 155) = ( 0.0000000 0.4400000 0.5000000), wk = 0.0032573 k( 156) = ( 0.0000000 0.4600000 0.5000000), wk = 0.0032573 k( 157) = ( 0.0000000 0.4800000 0.5000000), wk = 0.0032573 k( 158) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032573 k( 159) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032573 k( 160) = ( 0.0200000 0.5000000 0.5000000), wk = 0.0032573 k( 161) = ( 0.0400000 0.5000000 0.5000000), wk = 0.0032573 k( 162) = ( 0.0600000 0.5000000 0.5000000), wk = 0.0032573 k( 163) = ( 0.0800000 0.5000000 0.5000000), wk = 0.0032573 k( 164) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0032573 k( 165) = ( 0.1200000 0.5000000 0.5000000), wk = 0.0032573 k( 166) = ( 0.1400000 0.5000000 0.5000000), wk = 0.0032573 k( 167) = ( 0.1600000 0.5000000 0.5000000), wk = 0.0032573 k( 168) = ( 0.1800000 0.5000000 0.5000000), wk = 0.0032573 k( 169) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0032573 k( 170) = ( 0.2200000 0.5000000 0.5000000), wk = 0.0032573 k( 171) = ( 0.2400000 0.5000000 0.5000000), wk = 0.0032573 k( 172) = ( 0.2600000 0.5000000 0.5000000), wk = 0.0032573 k( 173) = ( 0.2800000 0.5000000 0.5000000), wk = 0.0032573 k( 174) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0032573 k( 175) = ( 0.3200000 0.5000000 0.5000000), wk = 0.0032573 k( 176) = ( 0.3400000 0.5000000 0.5000000), wk = 0.0032573 k( 177) = ( 0.3600000 0.5000000 0.5000000), wk = 0.0032573 k( 178) = ( 0.3800000 0.5000000 0.5000000), wk = 0.0032573 k( 179) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0032573 k( 180) = ( 0.4200000 0.5000000 0.5000000), wk = 0.0032573 k( 181) = ( 0.4400000 0.5000000 0.5000000), wk = 0.0032573 k( 182) = ( 0.4600000 0.5000000 0.5000000), wk = 0.0032573 k( 183) = ( 0.4800000 0.5000000 0.5000000), wk = 0.0032573 k( 184) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 186) = ( 0.4861111 0.4861111 0.5000000), wk = 0.0032573 k( 187) = ( 0.4722222 0.4722222 0.5000000), wk = 0.0032573 k( 188) = ( 0.4583333 0.4583333 0.5000000), wk = 0.0032573 k( 189) = ( 0.4444444 0.4444444 0.5000000), wk = 0.0032573 k( 190) = ( 0.4305556 0.4305556 0.5000000), wk = 0.0032573 k( 191) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0032573 k( 192) = ( 0.4027778 0.4027778 0.5000000), wk = 0.0032573 k( 193) = ( 0.3888889 0.3888889 0.5000000), wk = 0.0032573 k( 194) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0032573 k( 195) = ( 0.3611111 0.3611111 0.5000000), wk = 0.0032573 k( 196) = ( 0.3472222 0.3472222 0.5000000), wk = 0.0032573 k( 197) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032573 k( 198) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0032573 k( 199) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0032573 k( 200) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0032573 k( 201) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0032573 k( 202) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0032573 k( 203) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0032573 k( 204) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0032573 k( 205) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0032573 k( 206) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0032573 k( 207) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0032573 k( 208) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0032573 k( 209) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0032573 k( 210) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0032573 k( 211) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0032573 k( 212) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0032573 k( 213) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0032573 k( 214) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0032573 k( 215) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0032573 k( 216) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0032573 k( 217) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0032573 k( 218) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0032573 k( 219) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0032573 k( 220) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0032573 k( 221) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032573 k( 222) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 223) = ( 0.0000000 0.5000000 0.0119048), wk = 0.0032573 k( 224) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0032573 k( 225) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0032573 k( 226) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0032573 k( 227) = ( 0.0000000 0.5000000 0.0595238), wk = 0.0032573 k( 228) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0032573 k( 229) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0032573 k( 230) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0032573 k( 231) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0032573 k( 232) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0032573 k( 233) = ( 0.0000000 0.5000000 0.1309524), wk = 0.0032573 k( 234) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0032573 k( 235) = ( 0.0000000 0.5000000 0.1547619), wk = 0.0032573 k( 236) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0032573 k( 237) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0032573 k( 238) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0032573 k( 239) = ( 0.0000000 0.5000000 0.2023810), wk = 0.0032573 k( 240) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0032573 k( 241) = ( 0.0000000 0.5000000 0.2261905), wk = 0.0032573 k( 242) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0032573 k( 243) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0032573 k( 244) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0032573 k( 245) = ( 0.0000000 0.5000000 0.2738095), wk = 0.0032573 k( 246) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0032573 k( 247) = ( 0.0000000 0.5000000 0.2976190), wk = 0.0032573 k( 248) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0032573 k( 249) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0032573 k( 250) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0032573 k( 251) = ( 0.0000000 0.5000000 0.3452381), wk = 0.0032573 k( 252) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0032573 k( 253) = ( 0.0000000 0.5000000 0.3690476), wk = 0.0032573 k( 254) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0032573 k( 255) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0032573 k( 256) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0032573 k( 257) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0032573 k( 258) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0032573 k( 259) = ( 0.0000000 0.5000000 0.4404762), wk = 0.0032573 k( 260) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0032573 k( 261) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0032573 k( 262) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0032573 k( 263) = ( 0.0000000 0.5000000 0.4880952), wk = 0.0032573 k( 264) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032573 k( 265) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 266) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.2023809), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 Dense grid: 100337 G-vectors FFT dimensions: ( 72, 72, 45) Smooth grid: 44439 G-vectors FFT dimensions: ( 54, 54, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 324, 68) NL pseudopotentials 0.42 Mb ( 162, 168) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2789) G-vector shells 0.01 Mb ( 1389) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.34 Mb ( 324, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.35 Mb ( 168, 2, 68) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./H4NClO2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.4 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 total cpu time spent up to now is 8.2 secs Computing kpt #: 7 total cpu time spent up to now is 9.2 secs Computing kpt #: 8 total cpu time spent up to now is 10.3 secs Computing kpt #: 9 total cpu time spent up to now is 11.3 secs Computing kpt #: 10 total cpu time spent up to now is 12.4 secs Computing kpt #: 11 total cpu time spent up to now is 13.4 secs Computing kpt #: 12 total cpu time spent up to now is 14.3 secs Computing kpt #: 13 total cpu time spent up to now is 15.3 secs Computing kpt #: 14 total cpu time spent up to now is 16.2 secs Computing kpt #: 15 total cpu time spent up to now is 17.2 secs Computing kpt #: 16 total cpu time spent up to now is 18.1 secs Computing kpt #: 17 total cpu time spent up to now is 19.0 secs Computing kpt #: 18 total cpu time spent up to now is 19.9 secs Computing kpt #: 19 total cpu time spent up to now is 20.8 secs Computing kpt #: 20 total cpu time spent up to now is 21.6 secs Computing kpt #: 21 total cpu time spent up to now is 22.4 secs Computing kpt #: 22 total cpu time spent up to now is 23.3 secs Computing kpt #: 23 total cpu time spent up to now is 24.2 secs Computing kpt #: 24 total cpu time spent up to now is 25.0 secs Computing kpt #: 25 total cpu time spent up to now is 25.8 secs Computing kpt #: 26 total cpu time spent up to now is 26.6 secs Computing kpt #: 27 total cpu time spent up to now is 27.4 secs Computing kpt #: 28 total cpu time spent up to now is 28.2 secs Computing kpt #: 29 total cpu time spent up to now is 29.0 secs Computing kpt #: 30 total cpu time spent up to now is 29.8 secs Computing kpt #: 31 total cpu time spent up to now is 30.6 secs Computing kpt #: 32 total cpu time spent up to now is 31.4 secs Computing kpt #: 33 total cpu time spent up to now is 32.3 secs Computing kpt #: 34 total cpu time spent up to now is 33.1 secs Computing kpt #: 35 total cpu time spent up to now is 34.0 secs Computing kpt #: 36 total cpu time spent up to now is 34.8 secs Computing kpt #: 37 total cpu time spent up to now is 35.7 secs Computing kpt #: 38 total cpu time spent up to now is 36.6 secs Computing kpt #: 39 total cpu time spent up to now is 37.4 secs Computing kpt #: 40 total cpu time spent up to now is 38.3 secs Computing kpt #: 41 total cpu time spent up to now is 39.2 secs Computing kpt #: 42 total cpu time spent up to now is 40.1 secs Computing kpt #: 43 total cpu time spent up to now is 41.0 secs Computing kpt #: 44 total cpu time spent up to now is 41.9 secs Computing kpt #: 45 total cpu time spent up to now is 42.8 secs Computing kpt #: 46 total cpu time spent up to now is 43.7 secs Computing kpt #: 47 total cpu time spent up to now is 44.7 secs Computing kpt #: 48 total cpu time spent up to now is 45.7 secs Computing kpt #: 49 total cpu time spent up to now is 46.7 secs Computing kpt #: 50 total cpu time spent up to now is 47.6 secs Computing kpt #: 51 total cpu time spent up to now is 48.6 secs Computing kpt #: 52 total cpu time spent up to now is 49.7 secs Computing kpt #: 53 total cpu time spent up to now is 50.8 secs Computing kpt #: 54 total cpu time spent up to now is 51.9 secs Computing kpt #: 55 total cpu time spent up to now is 53.0 secs Computing kpt #: 56 total cpu time spent up to now is 54.0 secs Computing kpt #: 57 total cpu time spent up to now is 55.1 secs Computing kpt #: 58 total cpu time spent up to now is 56.2 secs Computing kpt #: 59 total cpu time spent up to now is 57.2 secs Computing kpt #: 60 total cpu time spent up to now is 58.3 secs Computing kpt #: 61 total cpu time spent up to now is 59.3 secs Computing kpt #: 62 total cpu time spent up to now is 60.4 secs Computing kpt #: 63 total cpu time spent up to now is 61.5 secs Computing kpt #: 64 total cpu time spent up to now is 62.6 secs Computing kpt #: 65 total cpu time spent up to now is 63.6 secs Computing kpt #: 66 total cpu time spent up to now is 64.7 secs Computing kpt #: 67 total cpu time spent up to now is 65.8 secs Computing kpt #: 68 total cpu time spent up to now is 66.9 secs Computing kpt #: 69 total cpu time spent up to now is 68.0 secs Computing kpt #: 70 total cpu time spent up to now is 69.0 secs Computing kpt #: 71 total cpu time spent up to now is 70.1 secs Computing kpt #: 72 total cpu time spent up to now is 71.3 secs Computing kpt #: 73 total cpu time spent up to now is 72.4 secs Computing kpt #: 74 total cpu time spent up to now is 73.4 secs Computing kpt #: 75 total cpu time spent up to now is 74.5 secs Computing kpt #: 76 total cpu time spent up to now is 75.5 secs Computing kpt #: 77 total cpu time spent up to now is 76.6 secs Computing kpt #: 78 total cpu time spent up to now is 77.6 secs Computing kpt #: 79 total cpu time spent up to now is 78.6 secs Computing kpt #: 80 total cpu time spent up to now is 79.7 secs Computing kpt #: 81 total cpu time spent up to now is 80.7 secs Computing kpt #: 82 total cpu time spent up to now is 81.8 secs Computing kpt #: 83 total cpu time spent up to now is 82.7 secs Computing kpt #: 84 total cpu time spent up to now is 83.8 secs Computing kpt #: 85 total cpu time spent up to now is 84.8 secs Computing kpt #: 86 total cpu time spent up to now is 85.8 secs Computing kpt #: 87 total cpu time spent up to now is 86.8 secs Computing kpt #: 88 total cpu time spent up to now is 87.8 secs Computing kpt #: 89 total cpu time spent up to now is 89.1 secs Computing kpt #: 90 total cpu time spent up to now is 90.4 secs Computing kpt #: 91 total cpu time spent up to now is 91.4 secs Computing kpt #: 92 total cpu time spent up to now is 92.4 secs Computing kpt #: 93 total cpu time spent up to now is 93.4 secs Computing kpt #: 94 total cpu time spent up to now is 94.4 secs Computing kpt #: 95 total cpu time spent up to now is 95.4 secs Computing kpt #: 96 total cpu time spent up to now is 96.4 secs Computing kpt #: 97 total cpu time spent up to now is 97.4 secs Computing kpt #: 98 total cpu time spent up to now is 98.5 secs Computing kpt #: 99 total cpu time spent up to now is 99.5 secs Computing kpt #: 100 total cpu time spent up to now is 100.6 secs Computing kpt #: 101 total cpu time spent up to now is 101.6 secs Computing kpt #: 102 total cpu time spent up to now is 102.6 secs Computing kpt #: 103 total cpu time spent up to now is 103.6 secs Computing kpt #: 104 total cpu time spent up to now is 104.7 secs Computing kpt #: 105 total cpu time spent up to now is 105.7 secs Computing kpt #: 106 total cpu time spent up to now is 106.8 secs Computing kpt #: 107 total cpu time spent up to now is 107.8 secs Computing kpt #: 108 total cpu time spent up to now is 109.0 secs Computing kpt #: 109 total cpu time spent up to now is 110.0 secs Computing kpt #: 110 total cpu time spent up to now is 111.1 secs Computing kpt #: 111 total cpu time spent up to now is 112.2 secs Computing kpt #: 112 total cpu time spent up to now is 113.6 secs Computing kpt #: 113 total cpu time spent up to now is 115.3 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.8 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 120.4 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 122.9 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 125.5 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 128.1 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 130.6 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 133.2 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 135.8 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 138.4 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 140.9 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 143.5 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 146.0 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 148.5 secs Computing kpt #: 127 total cpu time spent up to now is 149.9 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 152.4 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 154.9 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.3 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.8 secs Computing kpt #: 132 total cpu time spent up to now is 161.0 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 163.4 secs Computing kpt #: 134 total cpu time spent up to now is 164.5 secs Computing kpt #: 135 total cpu time spent up to now is 165.6 secs Computing kpt #: 136 total cpu time spent up to now is 166.6 secs Computing kpt #: 137 total cpu time spent up to now is 167.7 secs Computing kpt #: 138 total cpu time spent up to now is 168.8 secs Computing kpt #: 139 total cpu time spent up to now is 169.9 secs Computing kpt #: 140 total cpu time spent up to now is 170.9 secs Computing kpt #: 141 total cpu time spent up to now is 172.0 secs Computing kpt #: 142 total cpu time spent up to now is 173.1 secs Computing kpt #: 143 total cpu time spent up to now is 174.2 secs Computing kpt #: 144 total cpu time spent up to now is 175.2 secs Computing kpt #: 145 total cpu time spent up to now is 176.3 secs Computing kpt #: 146 total cpu time spent up to now is 177.3 secs Computing kpt #: 147 total cpu time spent up to now is 178.4 secs Computing kpt #: 148 total cpu time spent up to now is 179.4 secs Computing kpt #: 149 total cpu time spent up to now is 180.4 secs Computing kpt #: 150 total cpu time spent up to now is 181.4 secs Computing kpt #: 151 total cpu time spent up to now is 182.4 secs Computing kpt #: 152 total cpu time spent up to now is 183.3 secs Computing kpt #: 153 total cpu time spent up to now is 184.3 secs Computing kpt #: 154 total cpu time spent up to now is 185.3 secs Computing kpt #: 155 total cpu time spent up to now is 186.4 secs Computing kpt #: 156 total cpu time spent up to now is 187.3 secs Computing kpt #: 157 total cpu time spent up to now is 188.3 secs Computing kpt #: 158 total cpu time spent up to now is 189.3 secs Computing kpt #: 159 total cpu time spent up to now is 190.3 secs Computing kpt #: 160 total cpu time spent up to now is 191.3 secs Computing kpt #: 161 total cpu time spent up to now is 192.3 secs Computing kpt #: 162 total cpu time spent up to now is 193.3 secs Computing kpt #: 163 total cpu time spent up to now is 194.3 secs Computing kpt #: 164 total cpu time spent up to now is 195.3 secs Computing kpt #: 165 total cpu time spent up to now is 196.3 secs Computing kpt #: 166 total cpu time spent up to now is 197.3 secs Computing kpt #: 167 total cpu time spent up to now is 198.3 secs Computing kpt #: 168 total cpu time spent up to now is 199.3 secs Computing kpt #: 169 total cpu time spent up to now is 200.3 secs Computing kpt #: 170 total cpu time spent up to now is 201.3 secs Computing kpt #: 171 total cpu time spent up to now is 202.3 secs Computing kpt #: 172 total cpu time spent up to now is 203.3 secs Computing kpt #: 173 total cpu time spent up to now is 204.3 secs Computing kpt #: 174 total cpu time spent up to now is 205.3 secs Computing kpt #: 175 total cpu time spent up to now is 206.3 secs Computing kpt #: 176 total cpu time spent up to now is 207.3 secs Computing kpt #: 177 total cpu time spent up to now is 208.2 secs Computing kpt #: 178 total cpu time spent up to now is 209.1 secs Computing kpt #: 179 total cpu time spent up to now is 210.1 secs Computing kpt #: 180 total cpu time spent up to now is 211.0 secs Computing kpt #: 181 total cpu time spent up to now is 212.0 secs Computing kpt #: 182 total cpu time spent up to now is 212.9 secs Computing kpt #: 183 total cpu time spent up to now is 213.7 secs Computing kpt #: 184 total cpu time spent up to now is 214.6 secs Computing kpt #: 185 total cpu time spent up to now is 215.5 secs Computing kpt #: 186 total cpu time spent up to now is 216.4 secs Computing kpt #: 187 total cpu time spent up to now is 217.3 secs Computing kpt #: 188 total cpu time spent up to now is 218.3 secs Computing kpt #: 189 total cpu time spent up to now is 219.2 secs Computing kpt #: 190 total cpu time spent up to now is 220.1 secs Computing kpt #: 191 total cpu time spent up to now is 221.1 secs Computing kpt #: 192 total cpu time spent up to now is 222.0 secs Computing kpt #: 193 total cpu time spent up to now is 222.9 secs Computing kpt #: 194 total cpu time spent up to now is 223.9 secs Computing kpt #: 195 total cpu time spent up to now is 224.9 secs Computing kpt #: 196 total cpu time spent up to now is 225.9 secs Computing kpt #: 197 total cpu time spent up to now is 226.9 secs Computing kpt #: 198 total cpu time spent up to now is 227.8 secs Computing kpt #: 199 total cpu time spent up to now is 228.7 secs Computing kpt #: 200 total cpu time spent up to now is 229.7 secs Computing kpt #: 201 total cpu time spent up to now is 230.7 secs Computing kpt #: 202 total cpu time spent up to now is 231.7 secs Computing kpt #: 203 total cpu time spent up to now is 232.7 secs Computing kpt #: 204 total cpu time spent up to now is 233.8 secs Computing kpt #: 205 total cpu time spent up to now is 234.9 secs Computing kpt #: 206 total cpu time spent up to now is 236.0 secs Computing kpt #: 207 total cpu time spent up to now is 237.1 secs Computing kpt #: 208 total cpu time spent up to now is 238.2 secs Computing kpt #: 209 total cpu time spent up to now is 239.4 secs Computing kpt #: 210 total cpu time spent up to now is 240.5 secs Computing kpt #: 211 total cpu time spent up to now is 241.7 secs Computing kpt #: 212 total cpu time spent up to now is 242.9 secs Computing kpt #: 213 total cpu time spent up to now is 244.1 secs Computing kpt #: 214 total cpu time spent up to now is 245.3 secs Computing kpt #: 215 total cpu time spent up to now is 246.6 secs Computing kpt #: 216 total cpu time spent up to now is 247.7 secs Computing kpt #: 217 total cpu time spent up to now is 248.8 secs Computing kpt #: 218 total cpu time spent up to now is 249.9 secs Computing kpt #: 219 total cpu time spent up to now is 251.1 secs Computing kpt #: 220 total cpu time spent up to now is 252.3 secs Computing kpt #: 221 total cpu time spent up to now is 253.5 secs Computing kpt #: 222 total cpu time spent up to now is 254.3 secs Computing kpt #: 223 total cpu time spent up to now is 255.1 secs Computing kpt #: 224 total cpu time spent up to now is 255.9 secs Computing kpt #: 225 total cpu time spent up to now is 256.6 secs Computing kpt #: 226 total cpu time spent up to now is 257.5 secs Computing kpt #: 227 total cpu time spent up to now is 258.3 secs Computing kpt #: 228 total cpu time spent up to now is 259.1 secs Computing kpt #: 229 total cpu time spent up to now is 259.9 secs Computing kpt #: 230 total cpu time spent up to now is 260.8 secs Computing kpt #: 231 total cpu time spent up to now is 261.6 secs Computing kpt #: 232 total cpu time spent up to now is 262.4 secs Computing kpt #: 233 total cpu time spent up to now is 263.3 secs Computing kpt #: 234 total cpu time spent up to now is 264.1 secs Computing kpt #: 235 total cpu time spent up to now is 265.0 secs Computing kpt #: 236 total cpu time spent up to now is 265.9 secs Computing kpt #: 237 total cpu time spent up to now is 266.7 secs Computing kpt #: 238 total cpu time spent up to now is 267.6 secs Computing kpt #: 239 total cpu time spent up to now is 268.5 secs Computing kpt #: 240 total cpu time spent up to now is 269.3 secs Computing kpt #: 241 total cpu time spent up to now is 270.2 secs Computing kpt #: 242 total cpu time spent up to now is 271.1 secs Computing kpt #: 243 total cpu time spent up to now is 272.0 secs Computing kpt #: 244 total cpu time spent up to now is 272.9 secs Computing kpt #: 245 total cpu time spent up to now is 273.9 secs Computing kpt #: 246 total cpu time spent up to now is 274.8 secs Computing kpt #: 247 total cpu time spent up to now is 275.7 secs Computing kpt #: 248 total cpu time spent up to now is 276.7 secs Computing kpt #: 249 total cpu time spent up to now is 277.7 secs Computing kpt #: 250 total cpu time spent up to now is 278.6 secs Computing kpt #: 251 total cpu time spent up to now is 279.5 secs Computing kpt #: 252 total cpu time spent up to now is 280.5 secs Computing kpt #: 253 total cpu time spent up to now is 281.5 secs Computing kpt #: 254 total cpu time spent up to now is 282.5 secs Computing kpt #: 255 total cpu time spent up to now is 283.4 secs Computing kpt #: 256 total cpu time spent up to now is 284.4 secs Computing kpt #: 257 total cpu time spent up to now is 285.4 secs Computing kpt #: 258 total cpu time spent up to now is 286.4 secs Computing kpt #: 259 total cpu time spent up to now is 287.4 secs Computing kpt #: 260 total cpu time spent up to now is 288.4 secs Computing kpt #: 261 total cpu time spent up to now is 289.4 secs Computing kpt #: 262 total cpu time spent up to now is 290.4 secs Computing kpt #: 263 total cpu time spent up to now is 291.4 secs Computing kpt #: 264 total cpu time spent up to now is 292.4 secs Computing kpt #: 265 total cpu time spent up to now is 293.5 secs Computing kpt #: 266 total cpu time spent up to now is 294.5 secs Computing kpt #: 267 total cpu time spent up to now is 295.6 secs Computing kpt #: 268 total cpu time spent up to now is 296.7 secs Computing kpt #: 269 total cpu time spent up to now is 297.7 secs Computing kpt #: 270 total cpu time spent up to now is 298.8 secs Computing kpt #: 271 total cpu time spent up to now is 299.9 secs Computing kpt #: 272 total cpu time spent up to now is 301.0 secs Computing kpt #: 273 total cpu time spent up to now is 302.1 secs Computing kpt #: 274 total cpu time spent up to now is 303.2 secs Computing kpt #: 275 total cpu time spent up to now is 304.3 secs Computing kpt #: 276 total cpu time spent up to now is 305.4 secs Computing kpt #: 277 total cpu time spent up to now is 306.5 secs Computing kpt #: 278 total cpu time spent up to now is 307.5 secs Computing kpt #: 279 total cpu time spent up to now is 308.6 secs Computing kpt #: 280 total cpu time spent up to now is 309.7 secs Computing kpt #: 281 total cpu time spent up to now is 310.8 secs Computing kpt #: 282 total cpu time spent up to now is 311.9 secs Computing kpt #: 283 total cpu time spent up to now is 313.0 secs Computing kpt #: 284 total cpu time spent up to now is 314.1 secs Computing kpt #: 285 total cpu time spent up to now is 315.3 secs Computing kpt #: 286 total cpu time spent up to now is 316.5 secs Computing kpt #: 287 total cpu time spent up to now is 317.7 secs Computing kpt #: 288 total cpu time spent up to now is 318.8 secs Computing kpt #: 289 total cpu time spent up to now is 319.9 secs Computing kpt #: 290 total cpu time spent up to now is 320.9 secs Computing kpt #: 291 total cpu time spent up to now is 321.8 secs Computing kpt #: 292 total cpu time spent up to now is 322.8 secs Computing kpt #: 293 total cpu time spent up to now is 323.7 secs Computing kpt #: 294 total cpu time spent up to now is 324.7 secs Computing kpt #: 295 total cpu time spent up to now is 325.6 secs Computing kpt #: 296 total cpu time spent up to now is 326.5 secs Computing kpt #: 297 total cpu time spent up to now is 327.5 secs Computing kpt #: 298 total cpu time spent up to now is 328.4 secs Computing kpt #: 299 total cpu time spent up to now is 329.3 secs Computing kpt #: 300 total cpu time spent up to now is 330.2 secs Computing kpt #: 301 total cpu time spent up to now is 331.1 secs Computing kpt #: 302 total cpu time spent up to now is 332.0 secs Computing kpt #: 303 total cpu time spent up to now is 332.9 secs Computing kpt #: 304 total cpu time spent up to now is 333.8 secs Computing kpt #: 305 total cpu time spent up to now is 334.7 secs Computing kpt #: 306 total cpu time spent up to now is 335.6 secs Computing kpt #: 307 total cpu time spent up to now is 336.5 secs ethr = 1.79E-08, avg # of iterations = 26.3 total cpu time spent up to now is 336.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5535 PWs) bands (ev): -19.8225 -19.8225 -19.5989 -19.5989 -19.1556 -19.1556 -19.0268 -19.0268 -16.4213 -16.4213 -16.4210 -16.4210 -9.9755 -9.9755 -9.6362 -9.6362 -8.1554 -8.1554 -8.1465 -8.1465 -8.0372 -8.0372 -8.0288 -8.0288 -6.9888 -6.9888 -6.8925 -6.8925 -3.9742 -3.9742 -3.9501 -3.9501 -3.6939 -3.6939 -3.4573 -3.4573 -3.1045 -3.1045 -3.0792 -3.0792 -0.1139 -0.1139 -0.0691 -0.0691 -0.0629 -0.0629 0.5449 0.5449 0.8517 0.8517 0.8566 0.8566 3.0537 3.0537 3.0615 3.0615 5.9668 5.9668 6.3252 6.3252 6.3366 6.3366 6.9936 6.9936 8.3952 8.3952 10.2775 10.2775 k = 0.0000 0.0200-0.0000 ( 5513 PWs) bands (ev): -19.8223 -19.8223 -19.5990 -19.5990 -19.1557 -19.1557 -19.0271 -19.0271 -16.4212 -16.4212 -16.4209 -16.4209 -9.9754 -9.9753 -9.6367 -9.6367 -8.1552 -8.1550 -8.1462 -8.1461 -8.0372 -8.0371 -8.0287 -8.0287 -6.9889 -6.9888 -6.8927 -6.8926 -3.9744 -3.9736 -3.9500 -3.9499 -3.6962 -3.6927 -3.4582 -3.4573 -3.1061 -3.1023 -3.0799 -3.0780 -0.1129 -0.1129 -0.0691 -0.0690 -0.0629 -0.0629 0.5446 0.5447 0.8514 0.8515 0.8563 0.8564 3.0535 3.0537 3.0612 3.0615 5.9670 5.9690 6.3245 6.3247 6.3354 6.3366 6.9931 6.9941 8.3970 8.3970 10.2783 10.2784 k = 0.0000 0.0400-0.0000 ( 5523 PWs) bands (ev): -19.8215 -19.8215 -19.5993 -19.5993 -19.1558 -19.1558 -19.0278 -19.0278 -16.4209 -16.4209 -16.4206 -16.4206 -9.9750 -9.9749 -9.6384 -9.6384 -8.1545 -8.1542 -8.1454 -8.1454 -8.0371 -8.0370 -8.0286 -8.0284 -6.9891 -6.9891 -6.8935 -6.8933 -3.9743 -3.9727 -3.9496 -3.9494 -3.6995 -3.6926 -3.4600 -3.4581 -3.1072 -3.0996 -3.0803 -3.0763 -0.1099 -0.1098 -0.0688 -0.0687 -0.0628 -0.0627 0.5439 0.5440 0.8506 0.8509 0.8555 0.8557 3.0530 3.0535 3.0607 3.0613 5.9695 5.9736 6.3224 6.3226 6.3328 6.3356 6.9926 6.9945 8.4023 8.4023 10.2808 10.2809 k = 0.0000 0.0600-0.0000 ( 5525 PWs) bands (ev): -19.8201 -19.8201 -19.5998 -19.5998 -19.1561 -19.1561 -19.0290 -19.0290 -16.4204 -16.4204 -16.4201 -16.4201 -9.9743 -9.9742 -9.6411 -9.6411 -8.1534 -8.1530 -8.1440 -8.1440 -8.0370 -8.0369 -8.0282 -8.0280 -6.9895 -6.9894 -6.8946 -6.8944 -3.9740 -3.9715 -3.9488 -3.9486 -3.7039 -3.6937 -3.4626 -3.4598 -3.1076 -3.0965 -3.0801 -3.0740 -0.1049 -0.1049 -0.0684 -0.0681 -0.0626 -0.0625 0.5427 0.5428 0.8492 0.8497 0.8542 0.8546 3.0523 3.0530 3.0600 3.0608 5.9743 5.9804 6.3187 6.3187 6.3295 6.3340 6.9920 6.9948 8.4112 8.4112 10.2847 10.2849 k = 0.0000 0.0800-0.0000 ( 5528 PWs) bands (ev): -19.8182 -19.8182 -19.6005 -19.6005 -19.1565 -19.1565 -19.0307 -19.0307 -16.4197 -16.4197 -16.4195 -16.4194 -9.9733 -9.9732 -9.6449 -9.6449 -8.1518 -8.1514 -8.1421 -8.1419 -8.0371 -8.0370 -8.0276 -8.0273 -6.9900 -6.9899 -6.8963 -6.8959 -3.9735 -3.9701 -3.9476 -3.9474 -3.7090 -3.6957 -3.4661 -3.4624 -3.1074 -3.0933 -3.0796 -3.0711 -0.0982 -0.0981 -0.0675 -0.0673 -0.0624 -0.0622 0.5409 0.5411 0.8474 0.8480 0.8525 0.8531 3.0514 3.0524 3.0590 3.0600 5.9812 5.9893 6.3128 6.3131 6.3261 6.3323 6.9912 6.9949 8.4235 8.4235 10.2898 10.2900 k = 0.0000 0.1000-0.0000 ( 5542 PWs) bands (ev): -19.8158 -19.8158 -19.6015 -19.6015 -19.1570 -19.1570 -19.0329 -19.0328 -16.4189 -16.4189 -16.4186 -16.4185 -9.9721 -9.9719 -9.6498 -9.6498 -8.1500 -8.1496 -8.1395 -8.1392 -8.0374 -8.0372 -8.0266 -8.0262 -6.9907 -6.9906 -6.8983 -6.8979 -3.9730 -3.9685 -3.9459 -3.9457 -3.7148 -3.6987 -3.4704 -3.4659 -3.1067 -3.0900 -3.0786 -3.0675 -0.0901 -0.0899 -0.0661 -0.0658 -0.0620 -0.0618 0.5386 0.5389 0.8450 0.8458 0.8505 0.8512 3.0503 3.0515 3.0578 3.0591 5.9898 6.0000 6.3049 6.3053 6.3231 6.3309 6.9902 6.9947 8.4392 8.4392 10.2956 10.2959 k = 0.0000 0.1200-0.0000 ( 5534 PWs) bands (ev): -19.8129 -19.8129 -19.6027 -19.6027 -19.1575 -19.1575 -19.0355 -19.0354 -16.4179 -16.4179 -16.4176 -16.4175 -9.9705 -9.9702 -9.6556 -9.6556 -8.1480 -8.1475 -8.1361 -8.1357 -8.0380 -8.0378 -8.0252 -8.0247 -6.9914 -6.9913 -6.9008 -6.9003 -3.9724 -3.9669 -3.9438 -3.9436 -3.7211 -3.7025 -3.4756 -3.4703 -3.1056 -3.0868 -3.0771 -3.0633 -0.0816 -0.0814 -0.0632 -0.0631 -0.0614 -0.0609 0.5357 0.5361 0.8422 0.8431 0.8483 0.8491 3.0491 3.0504 3.0564 3.0580 5.9998 6.0120 6.2952 6.2957 6.3209 6.3301 6.9888 6.9941 8.4582 8.4583 10.3012 10.3016 k = 0.0000 0.1400-0.0000 ( 5534 PWs) bands (ev): -19.8095 -19.8094 -19.6041 -19.6041 -19.1580 -19.1580 -19.0384 -19.0384 -16.4168 -16.4168 -16.4164 -16.4163 -9.9685 -9.9682 -9.6623 -9.6623 -8.1458 -8.1454 -8.1321 -8.1315 -8.0388 -8.0386 -8.0235 -8.0229 -6.9922 -6.9921 -6.9036 -6.9030 -3.9719 -3.9653 -3.9412 -3.9409 -3.7277 -3.7069 -3.4815 -3.4756 -3.1041 -3.0835 -3.0751 -3.0586 -0.0752 -0.0748 -0.0614 -0.0613 -0.0558 -0.0553 0.5322 0.5327 0.8389 0.8400 0.8458 0.8468 3.0476 3.0492 3.0549 3.0567 6.0107 6.0250 6.2840 6.2845 6.3198 6.3303 6.9869 6.9929 8.4805 8.4806 10.3055 10.3059 k = 0.0000 0.1600-0.0000 ( 5534 PWs) bands (ev): -19.8056 -19.8055 -19.6059 -19.6059 -19.1585 -19.1585 -19.0418 -19.0418 -16.4155 -16.4155 -16.4151 -16.4150 -9.9662 -9.9659 -9.6699 -9.6699 -8.1434 -8.1430 -8.1274 -8.1267 -8.0399 -8.0397 -8.0215 -8.0208 -6.9931 -6.9929 -6.9068 -6.9061 -3.9715 -3.9638 -3.9382 -3.9377 -3.7344 -3.7118 -3.4883 -3.4818 -3.1023 -3.0803 -3.0728 -3.0535 -0.0717 -0.0712 -0.0609 -0.0607 -0.0441 -0.0437 0.5280 0.5286 0.8353 0.8365 0.8431 0.8442 3.0460 3.0477 3.0532 3.0553 6.0220 6.0382 6.2715 6.2721 6.3204 6.3321 6.9845 6.9911 8.5060 8.5061 10.3063 10.3068 k = 0.0000 0.1800-0.0000 ( 5538 PWs) bands (ev): -19.8012 -19.8011 -19.6079 -19.6079 -19.1589 -19.1589 -19.0456 -19.0455 -16.4142 -16.4142 -16.4137 -16.4136 -9.9636 -9.9632 -9.6783 -9.6783 -8.1409 -8.1405 -8.1221 -8.1213 -8.0413 -8.0410 -8.0193 -8.0186 -6.9939 -6.9938 -6.9104 -6.9097 -3.9711 -3.9624 -3.9350 -3.9340 -3.7409 -3.7169 -3.4958 -3.4888 -3.1002 -3.0770 -3.0701 -3.0482 -0.0698 -0.0692 -0.0604 -0.0601 -0.0293 -0.0289 0.5231 0.5238 0.8314 0.8328 0.8402 0.8415 3.0442 3.0462 3.0514 3.0537 6.0331 6.0509 6.2580 6.2586 6.3233 6.3360 6.9812 6.9884 8.5345 8.5347 10.3007 10.3014 k = 0.0000 0.2000-0.0000 ( 5538 PWs) bands (ev): -19.7964 -19.7963 -19.6103 -19.6103 -19.1592 -19.1592 -19.0497 -19.0496 -16.4128 -16.4127 -16.4123 -16.4121 -9.9605 -9.9601 -9.6874 -9.6874 -8.1382 -8.1379 -8.1164 -8.1154 -8.0428 -8.0425 -8.0170 -8.0163 -6.9948 -6.9947 -6.9142 -6.9134 -3.9708 -3.9610 -3.9317 -3.9301 -3.7469 -3.7219 -3.5041 -3.4967 -3.0979 -3.0736 -3.0672 -3.0428 -0.0685 -0.0678 -0.0598 -0.0595 -0.0124 -0.0119 0.5174 0.5182 0.8273 0.8289 0.8371 0.8385 3.0423 3.0445 3.0496 3.0521 6.0433 6.0622 6.2437 6.2444 6.3294 6.3426 6.9770 6.9847 8.5661 8.5663 10.2854 10.2863 k = 0.0000 0.2200-0.0000 ( 5538 PWs) bands (ev): -19.7911 -19.7911 -19.6130 -19.6130 -19.1594 -19.1594 -19.0542 -19.0541 -16.4113 -16.4112 -16.4107 -16.4106 -9.9570 -9.9566 -9.6971 -9.6971 -8.1354 -8.1351 -8.1102 -8.1092 -8.0445 -8.0442 -8.0147 -8.0140 -6.9956 -6.9954 -6.9183 -6.9175 -3.9705 -3.9598 -3.9285 -3.9260 -3.7522 -3.7267 -3.5131 -3.5053 -3.0953 -3.0701 -3.0642 -3.0376 -0.0674 -0.0666 -0.0593 -0.0589 0.0061 0.0065 0.5109 0.5118 0.8232 0.8250 0.8339 0.8355 3.0404 3.0427 3.0476 3.0504 6.0520 6.0716 6.2288 6.2297 6.3392 6.3525 6.9717 6.9798 8.6005 8.6008 10.2581 10.2592 k = 0.0000 0.2400-0.0000 ( 5534 PWs) bands (ev): -19.7855 -19.7854 -19.6161 -19.6161 -19.1593 -19.1593 -19.0589 -19.0588 -16.4097 -16.4097 -16.4091 -16.4090 -9.9531 -9.9526 -9.7074 -9.7074 -8.1324 -8.1321 -8.1037 -8.1026 -8.0464 -8.0461 -8.0124 -8.0118 -6.9962 -6.9961 -6.9227 -6.9218 -3.9702 -3.9585 -3.9257 -3.9220 -3.7564 -3.7309 -3.5227 -3.5147 -3.0925 -3.0664 -3.0611 -3.0326 -0.0663 -0.0655 -0.0587 -0.0583 0.0257 0.0262 0.5035 0.5045 0.8192 0.8211 0.8306 0.8323 3.0384 3.0409 3.0456 3.0486 6.0588 6.0785 6.2136 6.2147 6.3532 6.3659 6.9652 6.9736 8.6377 8.6381 10.2186 10.2198 k = 0.0000 0.2600-0.0000 ( 5530 PWs) bands (ev): -19.7794 -19.7794 -19.6196 -19.6196 -19.1590 -19.1590 -19.0639 -19.0637 -16.4082 -16.4081 -16.4076 -16.4074 -9.9487 -9.9482 -9.7182 -9.7182 -8.1293 -8.1290 -8.0970 -8.0958 -8.0484 -8.0481 -8.0103 -8.0097 -6.9967 -6.9967 -6.9272 -6.9263 -3.9698 -3.9571 -3.9235 -3.9183 -3.7594 -3.7343 -3.5330 -3.5247 -3.0895 -3.0625 -3.0581 -3.0280 -0.0653 -0.0645 -0.0582 -0.0577 0.0464 0.0470 0.4951 0.4963 0.8152 0.8173 0.8272 0.8290 3.0364 3.0391 3.0436 3.0468 6.0635 6.0827 6.1983 6.1996 6.3715 6.3830 6.9574 6.9660 8.6777 8.6781 10.1688 10.1701 k = 0.0000 0.2800-0.0000 ( 5534 PWs) bands (ev): -19.7731 -19.7730 -19.6235 -19.6234 -19.1584 -19.1584 -19.0690 -19.0689 -16.4066 -16.4066 -16.4060 -16.4058 -9.9438 -9.9434 -9.7294 -9.7294 -8.1261 -8.1258 -8.0901 -8.0890 -8.0505 -8.0501 -8.0085 -8.0079 -6.9971 -6.9971 -6.9320 -6.9311 -3.9694 -3.9557 -3.9221 -3.9152 -3.7608 -3.7367 -3.5438 -3.5353 -3.0864 -3.0585 -3.0553 -3.0238 -0.0644 -0.0635 -0.0577 -0.0572 0.0679 0.0686 0.4858 0.4871 0.8115 0.8137 0.8237 0.8257 3.0345 3.0374 3.0416 3.0449 6.0663 6.0846 6.1831 6.1847 6.3936 6.4037 6.9480 6.9569 8.7203 8.7208 10.1112 10.1126 k = 0.0000 0.3000-0.0000 ( 5546 PWs) bands (ev): -19.7664 -19.7663 -19.6278 -19.6277 -19.1575 -19.1575 -19.0744 -19.0743 -16.4051 -16.4051 -16.4045 -16.4043 -9.9385 -9.9380 -9.7410 -9.7409 -8.1228 -8.1225 -8.0834 -8.0822 -8.0526 -8.0521 -8.0069 -8.0064 -6.9973 -6.9973 -6.9369 -6.9359 -3.9687 -3.9542 -3.9215 -3.9127 -3.7605 -3.7377 -3.5551 -3.5465 -3.0831 -3.0544 -3.0528 -3.0201 -0.0634 -0.0625 -0.0572 -0.0567 0.0901 0.0909 0.4755 0.4768 0.8080 0.8104 0.8203 0.8224 3.0326 3.0357 3.0396 3.0431 6.0675 6.0845 6.1681 6.1701 6.4191 6.4275 6.9371 6.9460 8.7655 8.7660 10.0480 10.0495 k = 0.0000 0.3200-0.0000 ( 5546 PWs) bands (ev): -19.7594 -19.7593 -19.6325 -19.6324 -19.1563 -19.1562 -19.0799 -19.0798 -16.4037 -16.4036 -16.4030 -16.4029 -9.9326 -9.9321 -9.7527 -9.7526 -8.1193 -8.1191 -8.0769 -8.0758 -8.0544 -8.0539 -8.0056 -8.0052 -6.9972 -6.9971 -6.9418 -6.9408 -3.9679 -3.9525 -3.9220 -3.9110 -3.7583 -3.7372 -3.5668 -3.5581 -3.0797 -3.0506 -3.0501 -3.0170 -0.0625 -0.0616 -0.0568 -0.0562 0.1128 0.1137 0.4641 0.4655 0.8048 0.8073 0.8169 0.8191 3.0309 3.0341 3.0376 3.0413 6.0673 6.0831 6.1537 6.1560 6.4474 6.4539 6.9244 6.9334 8.8131 8.8138 9.9810 9.9825 k = 0.0000 0.3400-0.0000 ( 5540 PWs) bands (ev): -19.7522 -19.7521 -19.6375 -19.6375 -19.1547 -19.1546 -19.0855 -19.0853 -16.4023 -16.4022 -16.4017 -16.4015 -9.9262 -9.9258 -9.7646 -9.7645 -8.1158 -8.1156 -8.0715 -8.0706 -8.0554 -8.0546 -8.0048 -8.0045 -6.9969 -6.9967 -6.9467 -6.9458 -3.9670 -3.9506 -3.9234 -3.9103 -3.7545 -3.7350 -3.5789 -3.5702 -3.0762 -3.0488 -3.0459 -3.0145 -0.0616 -0.0607 -0.0565 -0.0558 0.1359 0.1368 0.4517 0.4532 0.8020 0.8047 0.8137 0.8160 3.0293 3.0327 3.0357 3.0395 6.0664 6.0808 6.1400 6.1427 6.4777 6.4824 6.9100 6.9190 8.8633 8.8640 9.9114 9.9129 k = 0.0000 0.3600-0.0000 ( 5544 PWs) bands (ev): -19.7448 -19.7447 -19.6430 -19.6429 -19.1527 -19.1526 -19.0911 -19.0909 -16.4010 -16.4009 -16.4004 -16.4003 -9.9193 -9.9189 -9.7766 -9.7764 -8.1123 -8.1120 -8.0686 -8.0681 -8.0541 -8.0530 -8.0044 -8.0042 -6.9962 -6.9960 -6.9516 -6.9507 -3.9657 -3.9485 -3.9256 -3.9106 -3.7489 -3.7313 -3.5912 -3.5825 -3.0727 -3.0475 -3.0416 -3.0126 -0.0608 -0.0598 -0.0562 -0.0555 0.1591 0.1601 0.4382 0.4398 0.7996 0.8024 0.8105 0.8129 3.0280 3.0315 3.0339 3.0378 6.0650 6.0782 6.1271 6.1302 6.5095 6.5125 6.8938 6.9026 8.9157 8.9165 9.8402 9.8417 k = 0.0000 0.3800-0.0000 ( 5544 PWs) bands (ev): -19.7372 -19.7371 -19.6489 -19.6488 -19.1503 -19.1502 -19.0967 -19.0966 -16.3998 -16.3998 -16.3993 -16.3992 -9.9119 -9.9115 -9.7886 -9.7884 -8.1087 -8.1084 -8.0689 -8.0686 -8.0499 -8.0487 -8.0046 -8.0045 -6.9952 -6.9949 -6.9565 -6.9555 -3.9643 -3.9463 -3.9284 -3.9117 -3.7420 -3.7260 -3.6038 -3.5950 -3.0692 -3.0466 -3.0374 -3.0113 -0.0600 -0.0590 -0.0560 -0.0552 0.1824 0.1835 0.4237 0.4253 0.7977 0.8005 0.8076 0.8101 3.0268 3.0305 3.0321 3.0361 6.0635 6.0756 6.1151 6.1187 6.5423 6.5437 6.8757 6.8843 8.9705 8.9714 9.7680 9.7695 k = 0.0000 0.4000-0.0000 ( 5546 PWs) bands (ev): -19.7295 -19.7294 -19.6551 -19.6550 -19.1476 -19.1475 -19.1023 -19.1022 -16.3988 -16.3987 -16.3983 -16.3982 -9.9040 -9.9035 -9.8005 -9.8003 -8.1050 -8.1048 -8.0709 -8.0707 -8.0444 -8.0432 -8.0054 -8.0053 -6.9938 -6.9935 -6.9612 -6.9603 -3.9625 -3.9438 -3.9317 -3.9136 -3.7337 -3.7192 -3.6165 -3.6076 -3.0658 -3.0463 -3.0333 -3.0107 -0.0592 -0.0582 -0.0558 -0.0550 0.2056 0.2068 0.4081 0.4097 0.7962 0.7991 0.8048 0.8074 3.0259 3.0297 3.0305 3.0346 6.0624 6.0734 6.1043 6.1083 6.5754 6.5755 6.8558 6.8641 9.0275 9.0284 9.6956 9.6971 k = 0.0000 0.4200-0.0000 ( 5558 PWs) bands (ev): -19.7217 -19.7216 -19.6617 -19.6616 -19.1444 -19.1443 -19.1078 -19.1077 -16.3979 -16.3978 -16.3976 -16.3974 -9.8955 -9.8951 -9.8123 -9.8121 -8.1014 -8.1011 -8.0737 -8.0735 -8.0387 -8.0375 -8.0068 -8.0066 -6.9921 -6.9917 -6.9658 -6.9649 -3.9605 -3.9411 -3.9352 -3.9160 -3.7244 -3.7111 -3.6293 -3.6203 -3.0624 -3.0464 -3.0294 -3.0107 -0.0585 -0.0575 -0.0558 -0.0550 0.2286 0.2298 0.3915 0.3932 0.7951 0.7981 0.8023 0.8050 3.0252 3.0291 3.0291 3.0332 6.0617 6.0717 6.0946 6.0991 6.6074 6.6088 6.8341 6.8420 9.0866 9.0877 9.6233 9.6248 k = 0.0000 0.4400-0.0000 ( 5558 PWs) bands (ev): -19.7138 -19.7137 -19.6685 -19.6684 -19.1409 -19.1408 -19.1132 -19.1131 -16.3972 -16.3971 -16.3969 -16.3968 -9.8866 -9.8862 -9.8239 -9.8236 -8.0977 -8.0975 -8.0767 -8.0765 -8.0330 -8.0320 -8.0088 -8.0085 -6.9900 -6.9896 -6.9701 -6.9693 -3.9582 -3.9389 -3.9383 -3.9189 -3.7141 -3.7020 -3.6421 -3.6330 -3.0593 -3.0470 -3.0257 -3.0113 -0.0579 -0.0569 -0.0558 -0.0549 0.2512 0.2525 0.3740 0.3756 0.7946 0.7975 0.8001 0.8028 3.0248 3.0278 3.0288 3.0319 6.0619 6.0710 6.0861 6.0911 6.6392 6.6417 6.8105 6.8180 9.1478 9.1489 9.5516 9.5531 k = 0.0000 0.4600-0.0000 ( 5544 PWs) bands (ev): -19.7060 -19.7059 -19.6756 -19.6755 -19.1370 -19.1369 -19.1185 -19.1183 -16.3967 -16.3966 -16.3965 -16.3964 -9.8772 -9.8768 -9.8352 -9.8349 -8.0940 -8.0938 -8.0800 -8.0797 -8.0277 -8.0268 -8.0114 -8.0110 -6.9876 -6.9870 -6.9742 -6.9734 -3.9556 -3.9426 -3.9352 -3.9220 -3.7032 -3.6919 -3.6549 -3.6455 -3.0564 -3.0481 -3.0222 -3.0125 -0.0573 -0.0563 -0.0559 -0.0550 0.2734 0.2748 0.3555 0.3571 0.7945 0.7974 0.7982 0.8010 3.0247 3.0267 3.0287 3.0309 6.0630 6.0712 6.0789 6.0845 6.6704 6.6741 6.7853 6.7922 9.2110 9.2122 9.4808 9.4822 k = 0.0000 0.4800-0.0000 ( 5544 PWs) bands (ev): -19.6982 -19.6981 -19.6830 -19.6829 -19.1328 -19.1327 -19.1235 -19.1234 -16.3964 -16.3963 -16.3962 -16.3961 -9.8673 -9.8669 -9.8463 -9.8460 -8.0904 -8.0902 -8.0833 -8.0831 -8.0229 -8.0220 -8.0147 -8.0141 -6.9847 -6.9841 -6.9780 -6.9773 -3.9527 -3.9461 -3.9320 -3.9253 -3.6917 -3.6811 -3.6674 -3.6577 -3.0538 -3.0496 -3.0192 -3.0143 -0.0568 -0.0561 -0.0559 -0.0552 0.2950 0.2964 0.3361 0.3377 0.7948 0.7967 0.7977 0.7995 3.0248 3.0259 3.0289 3.0300 6.0651 6.0726 6.0731 6.0792 6.7009 6.7055 6.7586 6.7648 9.2761 9.2773 9.4111 9.4125 k = 0.0000 0.5000-0.0000 ( 5550 PWs) bands (ev): -19.6905 -19.6905 -19.6904 -19.6904 -19.1283 -19.1283 -19.1282 -19.1282 -16.3962 -16.3962 -16.3961 -16.3961 -9.8570 -9.8570 -9.8566 -9.8566 -8.0868 -8.0868 -8.0866 -8.0866 -8.0185 -8.0185 -8.0178 -8.0178 -6.9816 -6.9816 -6.9809 -6.9809 -3.9495 -3.9495 -3.9287 -3.9287 -3.6797 -3.6797 -3.6696 -3.6696 -3.0515 -3.0515 -3.0165 -3.0165 -0.0564 -0.0564 -0.0555 -0.0555 0.3159 0.3159 0.3174 0.3174 0.7955 0.7955 0.7984 0.7984 3.0252 3.0252 3.0293 3.0293 6.0685 6.0685 6.0753 6.0753 6.7304 6.7304 6.7358 6.7358 9.3428 9.3428 9.3441 9.3441 k = 0.0000 0.5000-0.0000 ( 5550 PWs) bands (ev): -19.6905 -19.6905 -19.6904 -19.6904 -19.1283 -19.1283 -19.1282 -19.1282 -16.3962 -16.3962 -16.3961 -16.3961 -9.8570 -9.8570 -9.8566 -9.8566 -8.0868 -8.0868 -8.0866 -8.0866 -8.0185 -8.0185 -8.0178 -8.0178 -6.9816 -6.9816 -6.9809 -6.9809 -3.9495 -3.9495 -3.9287 -3.9287 -3.6797 -3.6797 -3.6696 -3.6696 -3.0515 -3.0515 -3.0165 -3.0165 -0.0564 -0.0564 -0.0555 -0.0555 0.3159 0.3159 0.3174 0.3174 0.7955 0.7955 0.7984 0.7984 3.0252 3.0252 3.0293 3.0293 6.0685 6.0685 6.0753 6.0753 6.7304 6.7304 6.7358 6.7358 9.3428 9.3428 9.3441 9.3441 k = 0.0200 0.5000-0.0000 ( 5544 PWs) bands (ev): -19.6904 -19.6904 -19.6903 -19.6903 -19.1285 -19.1285 -19.1284 -19.1284 -16.3961 -16.3961 -16.3960 -16.3960 -9.8571 -9.8571 -9.8568 -9.8568 -8.0867 -8.0867 -8.0864 -8.0864 -8.0184 -8.0184 -8.0177 -8.0177 -6.9817 -6.9817 -6.9811 -6.9811 -3.9505 -3.9505 -3.9296 -3.9296 -3.6789 -3.6789 -3.6682 -3.6682 -3.0520 -3.0520 -3.0170 -3.0170 -0.0563 -0.0563 -0.0553 -0.0553 0.3163 0.3163 0.3179 0.3179 0.7958 0.7958 0.7987 0.7987 3.0252 3.0252 3.0293 3.0293 6.0678 6.0678 6.0746 6.0746 6.7299 6.7299 6.7353 6.7353 9.3441 9.3441 9.3454 9.3454 k = 0.0400 0.5000-0.0000 ( 5550 PWs) bands (ev): -19.6899 -19.6899 -19.6898 -19.6898 -19.1292 -19.1292 -19.1290 -19.1290 -16.3958 -16.3958 -16.3957 -16.3957 -9.8575 -9.8575 -9.8572 -9.8572 -8.0861 -8.0861 -8.0858 -8.0858 -8.0181 -8.0181 -8.0174 -8.0174 -6.9823 -6.9823 -6.9816 -6.9816 -3.9533 -3.9533 -3.9323 -3.9323 -3.6764 -3.6764 -3.6641 -3.6641 -3.0535 -3.0535 -3.0186 -3.0186 -0.0558 -0.0558 -0.0549 -0.0549 0.3176 0.3176 0.3192 0.3192 0.7965 0.7965 0.7994 0.7994 3.0250 3.0250 3.0291 3.0291 6.0659 6.0659 6.0727 6.0727 6.7284 6.7284 6.7339 6.7339 9.3480 9.3480 9.3493 9.3493 k = 0.0600 0.5000-0.0000 ( 5554 PWs) bands (ev): -19.6892 -19.6892 -19.6891 -19.6891 -19.1302 -19.1302 -19.1301 -19.1301 -16.3954 -16.3954 -16.3952 -16.3952 -9.8582 -9.8582 -9.8579 -9.8579 -8.0852 -8.0852 -8.0849 -8.0849 -8.0176 -8.0176 -8.0168 -8.0168 -6.9831 -6.9831 -6.9825 -6.9825 -3.9578 -3.9578 -3.9366 -3.9366 -3.6720 -3.6720 -3.6577 -3.6577 -3.0560 -3.0560 -3.0211 -3.0211 -0.0550 -0.0550 -0.0541 -0.0541 0.3198 0.3198 0.3213 0.3213 0.7978 0.7978 0.8006 0.8006 3.0247 3.0247 3.0288 3.0288 6.0627 6.0627 6.0694 6.0694 6.7261 6.7261 6.7315 6.7315 9.3544 9.3544 9.3557 9.3557 k = 0.0800 0.5000-0.0000 ( 5554 PWs) bands (ev): -19.6881 -19.6881 -19.6880 -19.6880 -19.1317 -19.1317 -19.1316 -19.1316 -16.3947 -16.3947 -16.3946 -16.3946 -9.8591 -9.8591 -9.8588 -9.8588 -8.0840 -8.0840 -8.0836 -8.0836 -8.0168 -8.0168 -8.0161 -8.0161 -6.9844 -6.9844 -6.9837 -6.9837 -3.9637 -3.9637 -3.9423 -3.9423 -3.6659 -3.6659 -3.6495 -3.6495 -3.0594 -3.0594 -3.0247 -3.0247 -0.0540 -0.0540 -0.0531 -0.0531 0.3228 0.3228 0.3242 0.3242 0.7995 0.7995 0.8023 0.8023 3.0243 3.0243 3.0283 3.0283 6.0584 6.0584 6.0650 6.0650 6.7228 6.7228 6.7282 6.7282 9.3633 9.3633 9.3646 9.3646 k = 0.1000 0.5000-0.0000 ( 5566 PWs) bands (ev): -19.6868 -19.6868 -19.6867 -19.6867 -19.1336 -19.1336 -19.1335 -19.1335 -16.3939 -16.3939 -16.3938 -16.3938 -9.8603 -9.8603 -9.8600 -9.8600 -8.0825 -8.0825 -8.0821 -8.0821 -8.0158 -8.0158 -8.0151 -8.0151 -6.9859 -6.9859 -6.9852 -6.9852 -3.9706 -3.9706 -3.9493 -3.9493 -3.6582 -3.6582 -3.6398 -3.6398 -3.0638 -3.0638 -3.0292 -3.0292 -0.0527 -0.0527 -0.0518 -0.0518 0.3265 0.3265 0.3280 0.3280 0.8016 0.8016 0.8043 0.8043 3.0238 3.0238 3.0278 3.0278 6.0529 6.0529 6.0594 6.0594 6.7187 6.7187 6.7240 6.7240 9.3748 9.3748 9.3761 9.3761 k = 0.1200 0.5000-0.0000 ( 5558 PWs) bands (ev): -19.6853 -19.6853 -19.6852 -19.6852 -19.1358 -19.1358 -19.1357 -19.1357 -16.3929 -16.3929 -16.3928 -16.3928 -9.8617 -9.8617 -9.8614 -9.8614 -8.0806 -8.0806 -8.0803 -8.0803 -8.0146 -8.0146 -8.0138 -8.0138 -6.9877 -6.9877 -6.9870 -6.9870 -3.9784 -3.9784 -3.9573 -3.9573 -3.6490 -3.6490 -3.6289 -3.6289 -3.0690 -3.0690 -3.0346 -3.0346 -0.0511 -0.0511 -0.0503 -0.0503 0.3310 0.3310 0.3324 0.3324 0.8041 0.8041 0.8068 0.8068 3.0232 3.0232 3.0271 3.0271 6.0464 6.0464 6.0528 6.0528 6.7139 6.7139 6.7191 6.7191 9.3887 9.3887 9.3900 9.3900 k = 0.1400 0.5000-0.0000 ( 5566 PWs) bands (ev): -19.6835 -19.6835 -19.6834 -19.6834 -19.1384 -19.1384 -19.1382 -19.1382 -16.3918 -16.3918 -16.3917 -16.3917 -9.8633 -9.8633 -9.8630 -9.8630 -8.0786 -8.0786 -8.0783 -8.0783 -8.0132 -8.0132 -8.0124 -8.0124 -6.9898 -6.9898 -6.9890 -6.9890 -3.9868 -3.9868 -3.9659 -3.9659 -3.6387 -3.6387 -3.6172 -3.6172 -3.0750 -3.0750 -3.0409 -3.0409 -0.0494 -0.0494 -0.0486 -0.0486 0.3362 0.3362 0.3376 0.3376 0.8070 0.8070 0.8096 0.8096 3.0225 3.0225 3.0264 3.0264 6.0390 6.0390 6.0452 6.0452 6.7083 6.7083 6.7134 6.7134 9.4050 9.4050 9.4062 9.4062 k = 0.1600 0.5000-0.0000 ( 5560 PWs) bands (ev): -19.6815 -19.6815 -19.6813 -19.6813 -19.1413 -19.1413 -19.1411 -19.1411 -16.3906 -16.3906 -16.3904 -16.3904 -9.8651 -9.8651 -9.8647 -9.8647 -8.0765 -8.0765 -8.0761 -8.0761 -8.0115 -8.0115 -8.0107 -8.0107 -6.9921 -6.9921 -6.9914 -6.9914 -3.9955 -3.9955 -3.9750 -3.9750 -3.6275 -3.6275 -3.6048 -3.6048 -3.0817 -3.0817 -3.0480 -3.0480 -0.0476 -0.0476 -0.0468 -0.0468 0.3420 0.3420 0.3433 0.3433 0.8102 0.8102 0.8127 0.8127 3.0218 3.0218 3.0255 3.0255 6.0308 6.0308 6.0368 6.0368 6.7021 6.7021 6.7071 6.7071 9.4236 9.4236 9.4248 9.4248 k = 0.1800 0.5000-0.0000 ( 5556 PWs) bands (ev): -19.6792 -19.6792 -19.6791 -19.6791 -19.1444 -19.1444 -19.1442 -19.1442 -16.3892 -16.3892 -16.3891 -16.3891 -9.8670 -9.8670 -9.8666 -9.8666 -8.0742 -8.0742 -8.0738 -8.0738 -8.0096 -8.0096 -8.0087 -8.0087 -6.9946 -6.9946 -6.9939 -6.9939 -4.0043 -4.0043 -3.9845 -3.9845 -3.6155 -3.6155 -3.5919 -3.5919 -3.0891 -3.0891 -3.0558 -3.0558 -0.0456 -0.0456 -0.0449 -0.0449 0.3483 0.3483 0.3495 0.3495 0.8137 0.8137 0.8161 0.8161 3.0210 3.0210 3.0246 3.0246 6.0220 6.0220 6.0278 6.0278 6.6955 6.6955 6.7003 6.7003 9.4445 9.4445 9.4457 9.4457 k = 0.2000 0.5000-0.0000 ( 5556 PWs) bands (ev): -19.6769 -19.6769 -19.6768 -19.6768 -19.1477 -19.1477 -19.1476 -19.1476 -16.3878 -16.3878 -16.3877 -16.3877 -9.8690 -9.8690 -9.8687 -9.8687 -8.0719 -8.0719 -8.0715 -8.0715 -8.0074 -8.0074 -8.0065 -8.0065 -6.9973 -6.9973 -6.9966 -6.9966 -4.0131 -4.0131 -3.9940 -3.9940 -3.6031 -3.6031 -3.5787 -3.5787 -3.0971 -3.0971 -3.0642 -3.0642 -0.0436 -0.0436 -0.0429 -0.0429 0.3550 0.3550 0.3562 0.3562 0.8174 0.8174 0.8197 0.8197 3.0201 3.0201 3.0237 3.0237 6.0127 6.0127 6.0183 6.0183 6.6884 6.6884 6.6931 6.6931 9.4676 9.4676 9.4688 9.4688 k = 0.2200 0.5000-0.0000 ( 5564 PWs) bands (ev): -19.6744 -19.6744 -19.6743 -19.6743 -19.1512 -19.1512 -19.1511 -19.1511 -16.3863 -16.3863 -16.3862 -16.3862 -9.8711 -9.8711 -9.8708 -9.8708 -8.0696 -8.0696 -8.0693 -8.0693 -8.0051 -8.0051 -8.0042 -8.0042 -7.0002 -7.0002 -6.9994 -6.9994 -4.0218 -4.0218 -4.0035 -4.0035 -3.5903 -3.5903 -3.5654 -3.5654 -3.1056 -3.1056 -3.0732 -3.0732 -0.0415 -0.0415 -0.0408 -0.0408 0.3621 0.3621 0.3633 0.3633 0.8212 0.8212 0.8234 0.8234 3.0192 3.0192 3.0226 3.0226 6.0031 6.0031 6.0083 6.0083 6.6811 6.6811 6.6856 6.6856 9.4928 9.4928 9.4939 9.4939 k = 0.2400 0.5000-0.0000 ( 5560 PWs) bands (ev): -19.6718 -19.6718 -19.6717 -19.6717 -19.1549 -19.1549 -19.1547 -19.1547 -16.3848 -16.3848 -16.3847 -16.3847 -9.8732 -9.8732 -9.8729 -9.8729 -8.0674 -8.0674 -8.0670 -8.0670 -8.0025 -8.0025 -8.0015 -8.0015 -7.0031 -7.0031 -7.0023 -7.0023 -4.0302 -4.0302 -4.0128 -4.0128 -3.5772 -3.5772 -3.5521 -3.5521 -3.1144 -3.1144 -3.0827 -3.0827 -0.0394 -0.0394 -0.0388 -0.0388 0.3694 0.3694 0.3705 0.3705 0.8251 0.8251 0.8272 0.8272 3.0183 3.0183 3.0216 3.0216 5.9932 5.9932 5.9982 5.9982 6.6736 6.6736 6.6779 6.6779 9.5201 9.5201 9.5212 9.5212 k = 0.2600 0.5000-0.0000 ( 5556 PWs) bands (ev): -19.6691 -19.6691 -19.6690 -19.6690 -19.1586 -19.1586 -19.1584 -19.1584 -16.3833 -16.3833 -16.3832 -16.3832 -9.8754 -9.8754 -9.8751 -9.8751 -8.0652 -8.0652 -8.0649 -8.0649 -7.9997 -7.9997 -7.9988 -7.9988 -7.0061 -7.0061 -7.0053 -7.0053 -4.0382 -4.0382 -4.0218 -4.0218 -3.5641 -3.5641 -3.5389 -3.5389 -3.1235 -3.1235 -3.0925 -3.0925 -0.0374 -0.0374 -0.0368 -0.0368 0.3769 0.3769 0.3779 0.3779 0.8291 0.8291 0.8310 0.8310 3.0174 3.0174 3.0205 3.0205 5.9834 5.9834 5.9880 5.9880 6.6660 6.6660 6.6701 6.6701 9.5493 9.5493 9.5504 9.5504 k = 0.2800 0.5000-0.0000 ( 5562 PWs) bands (ev): -19.6664 -19.6664 -19.6663 -19.6663 -19.1623 -19.1623 -19.1621 -19.1621 -16.3818 -16.3818 -16.3817 -16.3817 -9.8775 -9.8775 -9.8772 -9.8772 -8.0632 -8.0632 -8.0630 -8.0630 -7.9969 -7.9969 -7.9959 -7.9959 -7.0090 -7.0090 -7.0083 -7.0083 -4.0458 -4.0458 -4.0305 -4.0305 -3.5510 -3.5510 -3.5260 -3.5260 -3.1327 -3.1327 -3.1027 -3.1027 -0.0354 -0.0354 -0.0349 -0.0349 0.3843 0.3843 0.3852 0.3852 0.8330 0.8330 0.8348 0.8348 3.0165 3.0165 3.0195 3.0195 5.9736 5.9736 5.9780 5.9780 6.6586 6.6586 6.6624 6.6624 9.5804 9.5804 9.5814 9.5814 k = 0.3000 0.5000-0.0000 ( 5564 PWs) bands (ev): -19.6638 -19.6638 -19.6637 -19.6637 -19.1659 -19.1659 -19.1658 -19.1658 -16.3803 -16.3803 -16.3802 -16.3802 -9.8796 -9.8796 -9.8793 -9.8793 -8.0614 -8.0614 -8.0612 -8.0612 -7.9939 -7.9939 -7.9930 -7.9930 -7.0119 -7.0119 -7.0113 -7.0113 -4.0528 -4.0528 -4.0387 -4.0387 -3.5381 -3.5381 -3.5135 -3.5135 -3.1420 -3.1420 -3.1130 -3.1130 -0.0336 -0.0336 -0.0331 -0.0331 0.3916 0.3916 0.3925 0.3925 0.8368 0.8368 0.8384 0.8384 3.0157 3.0157 3.0184 3.0184 5.9642 5.9642 5.9682 5.9682 6.6513 6.6513 6.6549 6.6549 9.6133 9.6133 9.6143 9.6143 k = 0.3200 0.5000-0.0000 ( 5560 PWs) bands (ev): -19.6612 -19.6612 -19.6611 -19.6611 -19.1694 -19.1694 -19.1693 -19.1693 -16.3789 -16.3789 -16.3788 -16.3788 -9.8815 -9.8815 -9.8813 -9.8813 -8.0597 -8.0597 -8.0595 -8.0595 -7.9910 -7.9910 -7.9901 -7.9901 -7.0147 -7.0147 -7.0141 -7.0141 -4.0593 -4.0593 -4.0463 -4.0463 -3.5254 -3.5254 -3.5015 -3.5015 -3.1511 -3.1511 -3.1233 -3.1233 -0.0318 -0.0318 -0.0314 -0.0314 0.3987 0.3987 0.3995 0.3995 0.8404 0.8404 0.8419 0.8419 3.0149 3.0149 3.0174 3.0174 5.9551 5.9551 5.9588 5.9588 6.6444 6.6444 6.6476 6.6476 9.6480 9.6480 9.6489 9.6489 k = 0.3400 0.5000-0.0000 ( 5548 PWs) bands (ev): -19.6588 -19.6588 -19.6587 -19.6587 -19.1728 -19.1728 -19.1727 -19.1727 -16.3776 -16.3776 -16.3775 -16.3775 -9.8834 -9.8834 -9.8832 -9.8832 -8.0582 -8.0582 -8.0580 -8.0580 -7.9881 -7.9881 -7.9873 -7.9873 -7.0174 -7.0174 -7.0168 -7.0168 -4.0651 -4.0651 -4.0534 -4.0534 -3.5131 -3.5131 -3.4902 -3.4902 -3.1598 -3.1598 -3.1336 -3.1336 -0.0302 -0.0302 -0.0298 -0.0298 0.4054 0.4054 0.4061 0.4061 0.8439 0.8439 0.8452 0.8452 3.0141 3.0141 3.0164 3.0164 5.9467 5.9467 5.9500 5.9500 6.6378 6.6378 6.6408 6.6408 9.6843 9.6843 9.6852 9.6852 k = 0.3600 0.5000-0.0000 ( 5542 PWs) bands (ev): -19.6565 -19.6565 -19.6564 -19.6564 -19.1759 -19.1759 -19.1758 -19.1758 -16.3763 -16.3763 -16.3763 -16.3763 -9.8851 -9.8851 -9.8849 -9.8849 -8.0569 -8.0569 -8.0567 -8.0567 -7.9853 -7.9853 -7.9846 -7.9846 -7.0199 -7.0199 -7.0193 -7.0193 -4.0702 -4.0702 -4.0599 -4.0599 -3.5013 -3.5013 -3.4797 -3.4797 -3.1680 -3.1680 -3.1437 -3.1437 -0.0287 -0.0287 -0.0284 -0.0284 0.4117 0.4117 0.4123 0.4123 0.8470 0.8470 0.8482 0.8482 3.0135 3.0135 3.0155 3.0155 5.9389 5.9389 5.9418 5.9418 6.6318 6.6318 6.6345 6.6345 9.7222 9.7222 9.7231 9.7231 k = 0.3800 0.5000-0.0000 ( 5534 PWs) bands (ev): -19.6544 -19.6544 -19.6543 -19.6543 -19.1787 -19.1787 -19.1786 -19.1786 -16.3752 -16.3752 -16.3752 -16.3752 -9.8866 -9.8866 -9.8865 -9.8865 -8.0557 -8.0557 -8.0556 -8.0556 -7.9828 -7.9828 -7.9821 -7.9821 -7.0221 -7.0221 -7.0216 -7.0216 -4.0746 -4.0746 -4.0657 -4.0657 -3.4902 -3.4902 -3.4704 -3.4704 -3.1755 -3.1755 -3.1533 -3.1533 -0.0274 -0.0274 -0.0271 -0.0271 0.4173 0.4173 0.4178 0.4178 0.8499 0.8499 0.8509 0.8509 3.0129 3.0129 3.0146 3.0146 5.9320 5.9320 5.9345 5.9345 6.6264 6.6264 6.6287 6.6287 9.7616 9.7616 9.7625 9.7625 k = 0.4000 0.5000-0.0000 ( 5542 PWs) bands (ev): -19.6525 -19.6525 -19.6524 -19.6524 -19.1812 -19.1812 -19.1811 -19.1811 -16.3743 -16.3743 -16.3742 -16.3742 -9.8880 -9.8880 -9.8879 -9.8879 -8.0548 -8.0548 -8.0547 -8.0547 -7.9805 -7.9805 -7.9799 -7.9799 -7.0241 -7.0241 -7.0237 -7.0237 -4.0783 -4.0783 -4.0708 -4.0708 -3.4799 -3.4799 -3.4623 -3.4623 -3.1820 -3.1820 -3.1625 -3.1625 -0.0263 -0.0263 -0.0260 -0.0260 0.4223 0.4223 0.4227 0.4227 0.8524 0.8524 0.8532 0.8532 3.0124 3.0124 3.0139 3.0139 5.9259 5.9259 5.9281 5.9281 6.6218 6.6218 6.6237 6.6237 9.8024 9.8024 9.8032 9.8032 k = 0.4200 0.5000-0.0000 ( 5544 PWs) bands (ev): -19.6509 -19.6509 -19.6509 -19.6509 -19.1833 -19.1833 -19.1833 -19.1833 -16.3734 -16.3734 -16.3734 -16.3734 -9.8891 -9.8891 -9.8890 -9.8890 -8.0540 -8.0540 -8.0540 -8.0540 -7.9785 -7.9785 -7.9780 -7.9780 -7.0257 -7.0257 -7.0254 -7.0254 -4.0811 -4.0811 -4.0751 -4.0751 -3.4707 -3.4707 -3.4557 -3.4557 -3.1873 -3.1873 -3.1709 -3.1709 -0.0253 -0.0253 -0.0251 -0.0251 0.4265 0.4265 0.4268 0.4268 0.8545 0.8545 0.8552 0.8552 3.0120 3.0120 3.0132 3.0132 5.9209 5.9209 5.9226 5.9226 6.6179 6.6179 6.6194 6.6194 9.8445 9.8445 9.8453 9.8453 k = 0.4400 0.5000-0.0000 ( 5548 PWs) bands (ev): -19.6497 -19.6497 -19.6496 -19.6496 -19.1850 -19.1850 -19.1850 -19.1850 -16.3728 -16.3728 -16.3728 -16.3728 -9.8900 -9.8900 -9.8899 -9.8899 -8.0535 -8.0535 -8.0534 -8.0534 -7.9769 -7.9769 -7.9765 -7.9765 -7.0271 -7.0271 -7.0268 -7.0268 -4.0832 -4.0832 -4.0787 -4.0787 -3.4626 -3.4626 -3.4508 -3.4508 -3.1912 -3.1912 -3.1783 -3.1783 -0.0246 -0.0246 -0.0244 -0.0244 0.4298 0.4298 0.4301 0.4301 0.8562 0.8562 0.8567 0.8567 3.0117 3.0117 3.0126 3.0126 5.9170 5.9170 5.9183 5.9183 6.6148 6.6148 6.6160 6.6160 9.8877 9.8877 9.8886 9.8886 k = 0.4600 0.5000-0.0000 ( 5552 PWs) bands (ev): -19.6487 -19.6487 -19.6487 -19.6487 -19.1863 -19.1863 -19.1862 -19.1862 -16.3723 -16.3723 -16.3723 -16.3723 -9.8907 -9.8907 -9.8906 -9.8906 -8.0531 -8.0531 -8.0530 -8.0530 -7.9757 -7.9757 -7.9754 -7.9754 -7.0280 -7.0280 -7.0278 -7.0278 -4.0845 -4.0845 -4.0815 -4.0815 -3.4560 -3.4560 -3.4478 -3.4478 -3.1934 -3.1934 -3.1845 -3.1845 -0.0240 -0.0240 -0.0239 -0.0239 0.4323 0.4323 0.4325 0.4325 0.8575 0.8575 0.8578 0.8578 3.0115 3.0115 3.0121 3.0121 5.9142 5.9142 5.9151 5.9151 6.6126 6.6126 6.6134 6.6134 9.9317 9.9317 9.9326 9.9326 k = 0.4800 0.5000-0.0000 ( 5556 PWs) bands (ev): -19.6482 -19.6482 -19.6482 -19.6482 -19.1870 -19.1870 -19.1870 -19.1870 -16.3720 -16.3720 -16.3720 -16.3720 -9.8910 -9.8910 -9.8910 -9.8910 -8.0528 -8.0528 -8.0528 -8.0528 -7.9750 -7.9750 -7.9748 -7.9748 -7.0286 -7.0286 -7.0285 -7.0285 -4.0850 -4.0850 -4.0835 -4.0835 -3.4511 -3.4511 -3.4469 -3.4469 -3.1938 -3.1938 -3.1893 -3.1893 -0.0237 -0.0237 -0.0236 -0.0236 0.4338 0.4338 0.4339 0.4339 0.8582 0.8582 0.8584 0.8584 3.0115 3.0115 3.0118 3.0118 5.9126 5.9126 5.9130 5.9130 6.6114 6.6114 6.6118 6.6118 9.9755 9.9755 9.9764 9.9764 k = 0.5000 0.5000-0.0000 ( 5548 PWs) bands (ev): -19.6480 -19.6480 -19.6480 -19.6480 -19.1873 -19.1873 -19.1873 -19.1873 -16.3719 -16.3719 -16.3719 -16.3719 -9.8912 -9.8912 -9.8912 -9.8912 -8.0527 -8.0527 -8.0527 -8.0527 -7.9746 -7.9746 -7.9746 -7.9746 -7.0287 -7.0287 -7.0287 -7.0287 -4.0846 -4.0846 -4.0846 -4.0846 -3.4480 -3.4480 -3.4480 -3.4480 -3.1924 -3.1924 -3.1924 -3.1924 -0.0236 -0.0236 -0.0236 -0.0236 0.4343 0.4343 0.4343 0.4343 0.8586 0.8586 0.8586 0.8586 3.0116 3.0116 3.0116 3.0116 5.9122 5.9122 5.9122 5.9122 6.6111 6.6111 6.6111 6.6111 10.0062 10.0062 10.0062 10.0062 k = 0.5000 0.5000-0.0000 ( 5548 PWs) bands (ev): -19.6480 -19.6480 -19.6480 -19.6480 -19.1873 -19.1873 -19.1873 -19.1873 -16.3719 -16.3719 -16.3719 -16.3719 -9.8912 -9.8912 -9.8912 -9.8912 -8.0527 -8.0527 -8.0527 -8.0527 -7.9746 -7.9746 -7.9746 -7.9746 -7.0287 -7.0287 -7.0287 -7.0287 -4.0846 -4.0846 -4.0846 -4.0846 -3.4480 -3.4480 -3.4480 -3.4480 -3.1924 -3.1924 -3.1924 -3.1924 -0.0236 -0.0236 -0.0236 -0.0236 0.4343 0.4343 0.4343 0.4343 0.8586 0.8586 0.8586 0.8586 3.0116 3.0116 3.0116 3.0116 5.9122 5.9122 5.9122 5.9122 6.6111 6.6111 6.6111 6.6111 10.0062 10.0062 10.0062 10.0062 k = 0.4861 0.4861-0.0000 ( 5552 PWs) bands (ev): -19.6484 -19.6484 -19.6479 -19.6479 -19.1872 -19.1872 -19.1868 -19.1868 -16.3720 -16.3720 -16.3720 -16.3720 -9.8914 -9.8913 -9.8907 -9.8907 -8.0529 -8.0529 -8.0527 -8.0527 -7.9751 -7.9749 -7.9748 -7.9747 -7.0287 -7.0286 -7.0284 -7.0283 -4.0851 -4.0844 -4.0844 -4.0830 -3.4522 -3.4495 -3.4477 -3.4463 -3.1942 -3.1935 -3.1900 -3.1886 -0.0237 -0.0237 -0.0236 -0.0236 0.4331 0.4332 0.4345 0.4345 0.8581 0.8581 0.8585 0.8586 3.0114 3.0115 3.0118 3.0119 5.9124 5.9126 5.9130 5.9131 6.6104 6.6105 6.6125 6.6129 9.9579 9.9581 10.0074 10.0074 k = 0.4722 0.4722-0.0000 ( 5558 PWs) bands (ev): -19.6498 -19.6498 -19.6476 -19.6476 -19.1870 -19.1870 -19.1856 -19.1855 -16.3723 -16.3723 -16.3723 -16.3723 -9.8919 -9.8919 -9.8894 -9.8894 -8.0535 -8.0535 -8.0526 -8.0526 -7.9763 -7.9760 -7.9751 -7.9749 -7.0285 -7.0284 -7.0276 -7.0274 -4.0846 -4.0837 -4.0836 -4.0804 -3.4594 -3.4535 -3.4479 -3.4460 -3.1945 -3.1938 -3.1855 -3.1826 -0.0242 -0.0241 -0.0238 -0.0238 0.4297 0.4299 0.4351 0.4351 0.8566 0.8568 0.8585 0.8587 3.0110 3.0114 3.0124 3.0125 5.9134 5.9139 5.9153 5.9156 6.6082 6.6086 6.6171 6.6179 9.8932 9.8933 10.0110 10.0110 k = 0.4583 0.4583-0.0000 ( 5554 PWs) bands (ev): -19.6520 -19.6520 -19.6472 -19.6472 -19.1867 -19.1867 -19.1835 -19.1834 -16.3728 -16.3728 -16.3728 -16.3727 -9.8929 -9.8928 -9.8872 -9.8872 -8.0544 -8.0544 -8.0524 -8.0524 -7.9781 -7.9777 -7.9756 -7.9753 -7.0281 -7.0280 -7.0261 -7.0258 -4.0830 -4.0824 -4.0823 -4.0767 -3.4694 -3.4605 -3.4486 -3.4463 -3.1940 -3.1934 -3.1789 -3.1745 -0.0249 -0.0248 -0.0241 -0.0241 0.4240 0.4243 0.4360 0.4361 0.8543 0.8545 0.8585 0.8589 3.0105 3.0111 3.0134 3.0135 5.9153 5.9159 5.9192 5.9195 6.6047 6.6053 6.6247 6.6259 9.8272 9.8274 10.0169 10.0170 k = 0.4444 0.4444-0.0000 ( 5542 PWs) bands (ev): -19.6551 -19.6550 -19.6465 -19.6465 -19.1863 -19.1863 -19.1806 -19.1805 -16.3734 -16.3734 -16.3734 -16.3733 -9.8942 -9.8940 -9.8841 -9.8841 -8.0558 -8.0558 -8.0521 -8.0521 -7.9807 -7.9801 -7.9762 -7.9759 -7.0276 -7.0274 -7.0240 -7.0236 -4.0807 -4.0807 -4.0802 -4.0719 -3.4817 -3.4703 -3.4495 -3.4469 -3.1930 -3.1926 -3.1701 -3.1646 -0.0259 -0.0257 -0.0246 -0.0245 0.4161 0.4165 0.4374 0.4375 0.8512 0.8514 0.8586 0.8590 3.0100 3.0107 3.0148 3.0148 5.9179 5.9188 5.9246 5.9251 6.5999 6.6007 6.6351 6.6368 9.7610 9.7613 10.0253 10.0254 k = 0.4306 0.4306-0.0000 ( 5538 PWs) bands (ev): -19.6589 -19.6589 -19.6457 -19.6457 -19.1858 -19.1858 -19.1770 -19.1769 -16.3742 -16.3742 -16.3742 -16.3741 -9.8958 -9.8957 -9.8802 -9.8802 -8.0575 -8.0575 -8.0518 -8.0518 -7.9839 -7.9831 -7.9771 -7.9766 -7.0269 -7.0268 -7.0214 -7.0208 -4.0785 -4.0784 -4.0765 -4.0662 -3.4957 -3.4825 -3.4507 -3.4476 -3.1915 -3.1915 -3.1598 -3.1536 -0.0271 -0.0269 -0.0251 -0.0250 0.4061 0.4066 0.4391 0.4392 0.8473 0.8476 0.8586 0.8591 3.0093 3.0102 3.0165 3.0165 5.9213 5.9226 5.9315 5.9321 6.5938 6.5946 6.6482 6.6503 9.6948 9.6952 10.0360 10.0362 k = 0.4167 0.4167-0.0000 ( 5536 PWs) bands (ev): -19.6635 -19.6634 -19.6448 -19.6447 -19.1851 -19.1851 -19.1727 -19.1726 -16.3752 -16.3752 -16.3751 -16.3751 -9.8978 -9.8976 -9.8754 -9.8754 -8.0595 -8.0595 -8.0514 -8.0514 -7.9877 -7.9868 -7.9781 -7.9776 -7.0261 -7.0259 -7.0182 -7.0176 -4.0759 -4.0758 -4.0717 -4.0595 -3.5112 -3.4965 -3.4521 -3.4486 -3.1900 -3.1898 -3.1482 -3.1418 -0.0285 -0.0283 -0.0258 -0.0257 0.3942 0.3948 0.4411 0.4413 0.8428 0.8431 0.8587 0.8593 3.0086 3.0096 3.0185 3.0185 5.9256 5.9272 5.9398 5.9405 6.5863 6.5873 6.6636 6.6662 9.6288 9.6294 10.0490 10.0492 k = 0.4028 0.4028-0.0000 ( 5548 PWs) bands (ev): -19.6687 -19.6686 -19.6436 -19.6436 -19.1844 -19.1844 -19.1679 -19.1677 -16.3764 -16.3763 -16.3763 -16.3762 -9.9001 -9.8998 -9.8699 -9.8699 -8.0620 -8.0620 -8.0510 -8.0509 -7.9921 -7.9912 -7.9792 -7.9787 -7.0252 -7.0250 -7.0146 -7.0138 -4.0728 -4.0727 -4.0660 -4.0519 -3.5277 -3.5119 -3.4537 -3.4497 -3.1882 -3.1877 -3.1359 -3.1296 -0.0302 -0.0299 -0.0266 -0.0265 0.3804 0.3810 0.4435 0.4438 0.8378 0.8382 0.8588 0.8594 3.0079 3.0091 3.0207 3.0208 5.9306 5.9326 5.9495 5.9503 6.5776 6.5785 6.6810 6.6840 9.5632 9.5639 10.0643 10.0645 k = 0.3889 0.3889-0.0000 ( 5562 PWs) bands (ev): -19.6745 -19.6744 -19.6424 -19.6423 -19.1836 -19.1836 -19.1625 -19.1624 -16.3777 -16.3776 -16.3776 -16.3775 -9.9026 -9.9024 -9.8636 -9.8636 -8.0647 -8.0647 -8.0505 -8.0504 -7.9971 -7.9960 -7.9806 -7.9800 -7.0242 -7.0240 -7.0104 -7.0097 -4.0694 -4.0692 -4.0593 -4.0434 -3.5449 -3.5284 -3.4555 -3.4511 -3.1860 -3.1854 -3.1232 -3.1173 -0.0320 -0.0317 -0.0275 -0.0274 0.3648 0.3655 0.4463 0.4466 0.8324 0.8328 0.8588 0.8595 3.0073 3.0085 3.0231 3.0232 5.9364 5.9389 5.9605 5.9614 6.5675 6.5685 6.6999 6.7035 9.4980 9.4989 10.0818 10.0819 k = 0.3750 0.3750-0.0000 ( 5552 PWs) bands (ev): -19.6807 -19.6806 -19.6409 -19.6409 -19.1827 -19.1827 -19.1566 -19.1565 -16.3791 -16.3791 -16.3790 -16.3789 -9.9055 -9.9052 -9.8565 -9.8565 -8.0677 -8.0677 -8.0499 -8.0498 -8.0026 -8.0014 -7.9821 -7.9814 -7.0230 -7.0228 -7.0059 -7.0051 -4.0656 -4.0654 -4.0517 -4.0341 -3.5626 -3.5457 -3.4574 -3.4525 -3.1836 -3.1827 -3.1105 -3.1051 -0.0339 -0.0336 -0.0286 -0.0284 0.3477 0.3484 0.4493 0.4497 0.8269 0.8273 0.8589 0.8595 3.0068 3.0081 3.0257 3.0258 5.9430 5.9461 5.9727 5.9737 6.5562 6.5571 6.7202 6.7242 9.4335 9.4344 10.1013 10.1014 k = 0.3611 0.3611-0.0000 ( 5546 PWs) bands (ev): -19.6874 -19.6873 -19.6394 -19.6394 -19.1817 -19.1817 -19.1504 -19.1503 -16.3807 -16.3806 -16.3805 -16.3804 -9.9085 -9.9082 -9.8488 -9.8488 -8.0709 -8.0709 -8.0493 -8.0492 -8.0085 -8.0073 -7.9837 -7.9829 -7.0218 -7.0215 -7.0010 -7.0001 -4.0615 -4.0613 -4.0433 -4.0241 -3.5806 -3.5634 -3.4595 -3.4541 -3.1810 -3.1798 -3.0980 -3.0934 -0.0360 -0.0357 -0.0297 -0.0295 0.3292 0.3299 0.4527 0.4530 0.8213 0.8217 0.8589 0.8596 3.0065 3.0079 3.0284 3.0285 5.9504 5.9541 5.9861 5.9872 6.5437 6.5445 6.7413 6.7459 9.3698 9.3708 10.1227 10.1227 k = 0.3472 0.3472-0.0000 ( 5538 PWs) bands (ev): -19.6944 -19.6943 -19.6377 -19.6377 -19.1806 -19.1806 -19.1439 -19.1438 -16.3824 -16.3823 -16.3822 -16.3821 -9.9117 -9.9114 -9.8405 -9.8405 -8.0744 -8.0744 -8.0486 -8.0485 -8.0149 -8.0135 -7.9855 -7.9846 -7.0204 -7.0201 -6.9958 -6.9949 -4.0570 -4.0568 -4.0341 -4.0134 -3.5986 -3.5815 -3.4616 -3.4558 -3.1780 -3.1767 -3.0861 -3.0822 -0.0381 -0.0378 -0.0310 -0.0308 0.3093 0.3101 0.4563 0.4567 0.8158 0.8163 0.8589 0.8595 3.0064 3.0078 3.0312 3.0312 5.9584 5.9628 6.0004 6.0016 6.5300 6.5306 6.7629 6.7679 9.3069 9.3080 10.1456 10.1456 k = 0.3333 0.3333-0.0000 ( 5538 PWs) bands (ev): -19.7016 -19.7015 -19.6359 -19.6359 -19.1794 -19.1794 -19.1372 -19.1370 -16.3842 -16.3841 -16.3840 -16.3838 -9.9151 -9.9147 -9.8316 -9.8316 -8.0781 -8.0781 -8.0480 -8.0478 -8.0216 -8.0201 -7.9873 -7.9865 -7.0189 -7.0186 -6.9904 -6.9894 -4.0524 -4.0521 -4.0242 -4.0023 -3.6165 -3.5997 -3.4639 -3.4576 -3.1749 -3.1733 -3.0748 -3.0718 -0.0403 -0.0400 -0.0324 -0.0321 0.2884 0.2892 0.4602 0.4606 0.8106 0.8110 0.8588 0.8595 3.0066 3.0080 3.0339 3.0340 5.9671 5.9722 6.0157 6.0170 6.5152 6.5155 6.7846 6.7901 9.2451 9.2462 10.1697 10.1699 k = 0.3194 0.3194-0.0000 ( 5548 PWs) bands (ev): -19.7091 -19.7090 -19.6340 -19.6340 -19.1782 -19.1782 -19.1303 -19.1301 -16.3861 -16.3860 -16.3858 -16.3857 -9.9187 -9.9183 -9.8221 -9.8221 -8.0820 -8.0820 -8.0473 -8.0471 -8.0285 -8.0271 -7.9894 -7.9885 -7.0174 -7.0171 -6.9848 -6.9837 -4.0475 -4.0472 -4.0138 -3.9907 -3.6341 -3.6179 -3.4663 -3.4595 -3.1715 -3.1696 -3.0644 -3.0623 -0.0425 -0.0422 -0.0338 -0.0336 0.2666 0.2674 0.4643 0.4648 0.8059 0.8062 0.8588 0.8594 3.0070 3.0084 3.0366 3.0367 5.9762 5.9822 6.0319 6.0332 6.4994 6.4995 6.8060 6.8121 9.1844 9.1855 10.1947 10.1949 k = 0.3056 0.3056-0.0000 ( 5544 PWs) bands (ev): -19.7166 -19.7165 -19.6321 -19.6321 -19.1770 -19.1770 -19.1233 -19.1231 -16.3880 -16.3880 -16.3878 -16.3877 -9.9223 -9.9219 -9.8122 -9.8122 -8.0861 -8.0860 -8.0465 -8.0463 -8.0357 -8.0342 -7.9915 -7.9906 -7.0158 -7.0155 -6.9790 -6.9779 -4.0424 -4.0421 -4.0028 -3.9789 -3.6513 -3.6359 -3.4686 -3.4614 -3.1679 -3.1658 -3.0549 -3.0538 -0.0447 -0.0444 -0.0354 -0.0352 0.2441 0.2448 0.4686 0.4691 0.8017 0.8020 0.8587 0.8593 3.0077 3.0091 3.0392 3.0393 5.9857 5.9927 6.0486 6.0501 6.4822 6.4829 6.8270 6.8335 9.1250 9.1261 10.2199 10.2203 k = 0.2917 0.2917-0.0000 ( 5544 PWs) bands (ev): -19.7243 -19.7242 -19.6300 -19.6300 -19.1757 -19.1757 -19.1163 -19.1161 -16.3901 -16.3901 -16.3898 -16.3897 -9.9260 -9.9255 -9.8020 -9.8020 -8.0903 -8.0902 -8.0457 -8.0456 -8.0431 -8.0416 -7.9938 -7.9928 -7.0141 -7.0138 -6.9731 -6.9720 -4.0373 -4.0369 -3.9916 -3.9670 -3.6678 -3.6534 -3.4710 -3.4633 -3.1641 -3.1618 -3.0465 -3.0464 -0.0468 -0.0465 -0.0371 -0.0368 0.2209 0.2217 0.4731 0.4736 0.7981 0.7985 0.8585 0.8591 3.0088 3.0100 3.0417 3.0418 5.9955 6.0034 6.0660 6.0675 6.4643 6.4656 6.8471 6.8540 9.0671 9.0681 10.2449 10.2453 k = 0.2778 0.2778-0.0000 ( 5540 PWs) bands (ev): -19.7319 -19.7318 -19.6280 -19.6279 -19.1743 -19.1743 -19.1093 -19.1091 -16.3922 -16.3921 -16.3919 -16.3918 -9.9297 -9.9293 -9.7914 -9.7914 -8.0945 -8.0944 -8.0506 -8.0490 -8.0449 -8.0447 -7.9961 -7.9951 -7.0124 -7.0121 -6.9672 -6.9661 -4.0320 -4.0316 -3.9801 -3.9553 -3.6834 -3.6704 -3.4733 -3.4651 -3.1602 -3.1576 -3.0401 -3.0394 -0.0489 -0.0486 -0.0388 -0.0386 0.1974 0.1982 0.4777 0.4782 0.7954 0.7957 0.8584 0.8589 3.0101 3.0113 3.0440 3.0442 6.0052 6.0143 6.0838 6.0853 6.4456 6.4478 6.8662 6.8735 9.0107 9.0117 10.2688 10.2693 k = 0.2639 0.2639-0.0000 ( 5542 PWs) bands (ev): -19.7394 -19.7393 -19.6258 -19.6258 -19.1729 -19.1729 -19.1023 -19.1022 -16.3943 -16.3943 -16.3940 -16.3939 -9.9334 -9.9330 -9.7805 -9.7805 -8.0988 -8.0987 -8.0582 -8.0566 -8.0441 -8.0439 -7.9985 -7.9975 -7.0107 -7.0104 -6.9612 -6.9601 -4.0267 -4.0263 -3.9687 -3.9441 -3.6979 -3.6866 -3.4754 -3.4669 -3.1561 -3.1532 -3.0351 -3.0335 -0.0508 -0.0506 -0.0407 -0.0404 0.1737 0.1744 0.4824 0.4829 0.7936 0.7938 0.8582 0.8587 3.0118 3.0130 3.0462 3.0464 6.0147 6.0251 6.1018 6.1035 6.4266 6.4297 6.8840 6.8916 8.9560 8.9570 10.2909 10.2914 k = 0.2500 0.2500-0.0000 ( 5544 PWs) bands (ev): -19.7468 -19.7467 -19.6237 -19.6237 -19.1716 -19.1716 -19.0955 -19.0954 -16.3965 -16.3964 -16.3962 -16.3960 -9.9371 -9.9367 -9.7695 -9.7695 -8.1032 -8.1031 -8.0657 -8.0642 -8.0433 -8.0431 -8.0010 -7.9999 -7.0090 -7.0086 -6.9553 -6.9542 -4.0214 -4.0210 -3.9576 -3.9336 -3.7109 -3.7018 -3.4775 -3.4686 -3.1520 -3.1488 -3.0313 -3.0290 -0.0527 -0.0525 -0.0425 -0.0423 0.1500 0.1507 0.4872 0.4877 0.7927 0.7929 0.8580 0.8584 3.0138 3.0149 3.0482 3.0484 6.0237 6.0354 6.1200 6.1217 6.4074 6.4116 6.9004 6.9083 8.9031 8.9041 10.3104 10.3109 k = 0.2361 0.2361-0.0000 ( 5549 PWs) bands (ev): -19.7541 -19.7540 -19.6216 -19.6216 -19.1702 -19.1702 -19.0889 -19.0887 -16.3986 -16.3986 -16.3983 -16.3982 -9.9408 -9.9403 -9.7584 -9.7584 -8.1076 -8.1074 -8.0732 -8.0717 -8.0425 -8.0423 -8.0035 -8.0025 -7.0072 -7.0069 -6.9495 -6.9484 -4.0162 -4.0157 -3.9471 -3.9245 -3.7220 -3.7156 -3.4794 -3.4701 -3.1478 -3.1443 -3.0289 -3.0258 -0.0544 -0.0542 -0.0445 -0.0442 0.1264 0.1270 0.4920 0.4926 0.7928 0.7929 0.8577 0.8582 3.0161 3.0171 3.0500 3.0502 6.0319 6.0450 6.1382 6.1400 6.3885 6.3940 6.9154 6.9235 8.8523 8.8531 10.3265 10.3271 k = 0.2222 0.2222-0.0000 ( 5543 PWs) bands (ev): -19.7612 -19.7611 -19.6194 -19.6194 -19.1688 -19.1688 -19.0824 -19.0823 -16.4007 -16.4007 -16.4004 -16.4003 -9.9443 -9.9439 -9.7473 -9.7473 -8.1118 -8.1116 -8.0806 -8.0792 -8.0416 -8.0415 -8.0060 -8.0050 -7.0055 -7.0052 -6.9438 -6.9427 -4.0111 -4.0105 -3.9375 -3.9170 -3.7307 -3.7277 -3.4809 -3.4713 -3.1435 -3.1397 -3.0277 -3.0240 -0.0560 -0.0558 -0.0464 -0.0461 0.1031 0.1037 0.4969 0.4974 0.7938 0.7939 0.8575 0.8579 3.0187 3.0195 3.0515 3.0518 6.0389 6.0535 6.1563 6.1581 6.3703 6.3772 6.9288 6.9370 8.8035 8.8042 10.3390 10.3395 k = 0.2083 0.2083-0.0000 ( 5543 PWs) bands (ev): -19.7680 -19.7679 -19.6173 -19.6173 -19.1675 -19.1675 -19.0762 -19.0761 -16.4028 -16.4028 -16.4025 -16.4024 -9.9478 -9.9473 -9.7363 -9.7362 -8.1161 -8.1159 -8.0878 -8.0865 -8.0409 -8.0407 -8.0085 -8.0075 -7.0038 -7.0035 -6.9382 -6.9372 -4.0061 -4.0055 -3.9294 -3.9118 -3.7377 -3.7367 -3.4822 -3.4724 -3.1393 -3.1351 -3.0277 -3.0236 -0.0574 -0.0573 -0.0483 -0.0480 0.0803 0.0809 0.5016 0.5022 0.7957 0.7958 0.8572 0.8576 3.0215 3.0222 3.0529 3.0532 6.0443 6.0603 6.1741 6.1760 6.3533 6.3617 6.9406 6.9489 8.7569 8.7576 10.3473 10.3479 k = 0.1944 0.1944-0.0000 ( 5543 PWs) bands (ev): -19.7745 -19.7744 -19.6153 -19.6153 -19.1661 -19.1661 -19.0703 -19.0701 -16.4049 -16.4049 -16.4046 -16.4045 -9.9511 -9.9507 -9.7254 -9.7254 -8.1202 -8.1200 -8.0948 -8.0936 -8.0401 -8.0399 -8.0110 -8.0100 -7.0021 -7.0018 -6.9329 -6.9319 -4.0013 -4.0006 -3.9232 -3.9091 -3.7452 -3.7396 -3.4831 -3.4731 -3.1352 -3.1305 -3.0289 -3.0245 -0.0587 -0.0587 -0.0502 -0.0500 0.0582 0.0587 0.5063 0.5068 0.7985 0.7986 0.8569 0.8572 3.0245 3.0250 3.0541 3.0544 6.0477 6.0650 6.1915 6.1934 6.3382 6.3481 6.9508 6.9592 8.7127 8.7133 10.3517 10.3522 k = 0.1806 0.1806-0.0000 ( 5545 PWs) bands (ev): -19.7807 -19.7807 -19.6133 -19.6133 -19.1649 -19.1649 -19.0646 -19.0645 -16.4069 -16.4069 -16.4066 -16.4065 -9.9543 -9.9539 -9.7148 -9.7148 -8.1243 -8.1240 -8.1016 -8.1004 -8.0394 -8.0392 -8.0134 -8.0125 -7.0005 -7.0002 -6.9278 -6.9268 -3.9968 -3.9959 -3.9193 -3.9090 -3.7497 -3.7397 -3.4836 -3.4735 -3.1311 -3.1260 -3.0312 -3.0266 -0.0600 -0.0599 -0.0521 -0.0519 0.0368 0.0373 0.5109 0.5114 0.8021 0.8022 0.8566 0.8569 3.0276 3.0280 3.0551 3.0555 6.0486 6.0669 6.2083 6.2103 6.3256 6.3367 6.9596 6.9679 8.6709 8.6714 10.3524 10.3529 k = 0.1667 0.1667-0.0000 ( 5537 PWs) bands (ev): -19.7866 -19.7865 -19.6114 -19.6114 -19.1636 -19.1636 -19.0593 -19.0592 -16.4088 -16.4088 -16.4085 -16.4084 -9.9573 -9.9569 -9.7045 -9.7045 -8.1282 -8.1278 -8.1080 -8.1069 -8.0388 -8.0386 -8.0158 -8.0148 -6.9989 -6.9986 -6.9229 -6.9220 -3.9925 -3.9915 -3.9179 -3.9112 -3.7513 -3.7371 -3.4835 -3.4735 -3.1272 -3.1216 -3.0344 -3.0299 -0.0611 -0.0610 -0.0538 -0.0537 0.0164 0.0169 0.5154 0.5158 0.8063 0.8065 0.8563 0.8566 3.0309 3.0311 3.0559 3.0563 6.0470 6.0658 6.2244 6.2265 6.3161 6.3280 6.9670 6.9751 8.6317 8.6322 10.3499 10.3504 k = 0.1528 0.1528-0.0000 ( 5545 PWs) bands (ev): -19.7921 -19.7920 -19.6095 -19.6095 -19.1624 -19.1624 -19.0543 -19.0542 -16.4106 -16.4106 -16.4104 -16.4102 -9.9601 -9.9597 -9.6947 -9.6947 -8.1319 -8.1315 -8.1141 -8.1131 -8.0382 -8.0380 -8.0180 -8.0171 -6.9974 -6.9972 -6.9183 -6.9175 -3.9885 -3.9874 -3.9187 -3.9150 -3.7500 -3.7327 -3.4829 -3.4732 -3.1236 -3.1174 -3.0385 -3.0342 -0.0622 -0.0620 -0.0555 -0.0554 -0.0029 -0.0025 0.5196 0.5201 0.8111 0.8113 0.8561 0.8563 3.0341 3.0342 3.0566 3.0571 6.0427 6.0615 6.2397 6.2420 6.3097 6.3220 6.9731 6.9809 8.5952 8.5956 10.3449 10.3453 k = 0.1389 0.1389-0.0000 ( 5541 PWs) bands (ev): -19.7972 -19.7972 -19.6078 -19.6078 -19.1613 -19.1613 -19.0497 -19.0496 -16.4124 -16.4123 -16.4121 -16.4120 -9.9627 -9.9623 -9.6854 -9.6854 -8.1354 -8.1350 -8.1197 -8.1189 -8.0376 -8.0375 -8.0201 -8.0193 -6.9961 -6.9958 -6.9141 -6.9133 -3.9849 -3.9837 -3.9215 -3.9200 -3.7464 -3.7270 -3.4817 -3.4724 -3.1202 -3.1133 -3.0432 -3.0394 -0.0631 -0.0629 -0.0571 -0.0570 -0.0211 -0.0206 0.5236 0.5241 0.8163 0.8165 0.8558 0.8560 3.0373 3.0374 3.0571 3.0577 6.0361 6.0542 6.2541 6.2564 6.3065 6.3187 6.9780 6.9855 8.5615 8.5618 10.3380 10.3384 k = 0.1250 0.1250-0.0000 ( 5543 PWs) bands (ev): -19.8019 -19.8019 -19.6062 -19.6062 -19.1603 -19.1603 -19.0455 -19.0454 -16.4140 -16.4139 -16.4137 -16.4136 -9.9651 -9.9648 -9.6767 -9.6767 -8.1388 -8.1383 -8.1248 -8.1242 -8.0372 -8.0370 -8.0220 -8.0212 -6.9948 -6.9945 -6.9101 -6.9094 -3.9817 -3.9803 -3.9256 -3.9255 -3.7411 -3.7207 -3.4799 -3.4712 -3.1171 -3.1095 -3.0482 -3.0453 -0.0641 -0.0638 -0.0585 -0.0585 -0.0378 -0.0374 0.5274 0.5278 0.8217 0.8219 0.8555 0.8558 3.0402 3.0405 3.0575 3.0582 6.0277 6.0447 6.2674 6.2699 6.3060 6.3177 6.9820 6.9889 8.5306 8.5308 10.3299 10.3303 k = 0.1111 0.1111-0.0000 ( 5539 PWs) bands (ev): -19.8062 -19.8061 -19.6048 -19.6047 -19.1594 -19.1594 -19.0416 -19.0416 -16.4154 -16.4154 -16.4152 -16.4151 -9.9673 -9.9670 -9.6686 -9.6686 -8.1419 -8.1414 -8.1295 -8.1290 -8.0369 -8.0367 -8.0237 -8.0230 -6.9936 -6.9934 -6.9066 -6.9059 -3.9790 -3.9774 -3.9310 -3.9303 -3.7348 -3.7145 -3.4776 -3.4696 -3.1145 -3.1060 -3.0535 -3.0517 -0.0650 -0.0646 -0.0601 -0.0599 -0.0530 -0.0524 0.5308 0.5312 0.8271 0.8274 0.8553 0.8555 3.0430 3.0434 3.0579 3.0586 6.0181 6.0335 6.2795 6.2821 6.3076 6.3186 6.9850 6.9914 8.5027 8.5029 10.3213 10.3216 k = 0.0972 0.0972-0.0000 ( 5547 PWs) bands (ev): -19.8099 -19.8099 -19.6034 -19.6034 -19.1585 -19.1585 -19.0382 -19.0382 -16.4168 -16.4167 -16.4165 -16.4164 -9.9692 -9.9689 -9.6614 -9.6613 -8.1448 -8.1443 -8.1336 -8.1332 -8.0367 -8.0365 -8.0252 -8.0246 -6.9925 -6.9923 -6.9034 -6.9028 -3.9768 -3.9750 -3.9361 -3.9352 -3.7280 -3.7086 -3.4748 -3.4677 -3.1123 -3.1029 -3.0587 -3.0583 -0.0677 -0.0675 -0.0655 -0.0653 -0.0603 -0.0598 0.5340 0.5343 0.8324 0.8327 0.8551 0.8553 3.0456 3.0462 3.0582 3.0591 6.0079 6.0216 6.2903 6.2930 6.3107 6.3207 6.9873 6.9931 8.4779 8.4780 10.3125 10.3129 k = 0.0833 0.0833-0.0000 ( 5541 PWs) bands (ev): -19.8132 -19.8132 -19.6023 -19.6023 -19.1578 -19.1578 -19.0352 -19.0352 -16.4179 -16.4179 -16.4177 -16.4176 -9.9709 -9.9706 -9.6549 -9.6549 -8.1475 -8.1469 -8.1371 -8.1369 -8.0365 -8.0365 -8.0264 -8.0259 -6.9915 -6.9914 -6.9005 -6.9000 -3.9753 -3.9733 -3.9406 -3.9398 -3.7212 -3.7034 -3.4717 -3.4655 -3.1106 -3.1004 -3.0648 -3.0636 -0.0794 -0.0793 -0.0665 -0.0662 -0.0612 -0.0610 0.5368 0.5371 0.8374 0.8377 0.8550 0.8552 3.0478 3.0485 3.0586 3.0595 5.9979 6.0097 6.2997 6.3023 6.3149 6.3237 6.9890 6.9942 8.4562 8.4563 10.3042 10.3045 k = 0.0694 0.0694-0.0000 ( 5527 PWs) bands (ev): -19.8161 -19.8160 -19.6013 -19.6012 -19.1571 -19.1571 -19.0327 -19.0326 -16.4189 -16.4189 -16.4187 -16.4186 -9.9723 -9.9721 -9.6493 -9.6493 -8.1498 -8.1492 -8.1400 -8.1399 -8.0366 -8.0365 -8.0273 -8.0269 -6.9907 -6.9906 -6.8981 -6.8977 -3.9744 -3.9722 -3.9441 -3.9436 -3.7147 -3.6991 -3.4684 -3.4633 -3.1094 -3.0985 -3.0707 -3.0678 -0.0898 -0.0897 -0.0673 -0.0670 -0.0619 -0.0617 0.5392 0.5394 0.8419 0.8422 0.8549 0.8552 3.0497 3.0505 3.0590 3.0600 5.9886 5.9984 6.3076 6.3099 6.3197 6.3270 6.9903 6.9947 8.4377 8.4378 10.2965 10.2968 k = 0.0556 0.0556-0.0000 ( 5521 PWs) bands (ev): -19.8184 -19.8184 -19.6004 -19.6004 -19.1566 -19.1566 -19.0306 -19.0305 -16.4198 -16.4198 -16.4195 -16.4195 -9.9735 -9.9733 -9.6446 -9.6446 -8.1518 -8.1513 -8.1423 -8.1423 -8.0367 -8.0366 -8.0279 -8.0276 -6.9900 -6.9899 -6.8961 -6.8958 -3.9741 -3.9719 -3.9467 -3.9465 -3.7088 -3.6958 -3.4652 -3.4612 -3.1085 -3.0977 -3.0755 -3.0714 -0.0984 -0.0983 -0.0680 -0.0677 -0.0623 -0.0621 0.5412 0.5414 0.8457 0.8460 0.8550 0.8552 3.0512 3.0519 3.0596 3.0604 5.9805 5.9884 6.3140 6.3158 6.3246 6.3303 6.9913 6.9949 8.4225 8.4225 10.2899 10.2902 k = 0.0417 0.0417-0.0000 ( 5521 PWs) bands (ev): -19.8202 -19.8202 -19.5998 -19.5998 -19.1562 -19.1562 -19.0290 -19.0289 -16.4204 -16.4204 -16.4202 -16.4201 -9.9744 -9.9742 -9.6410 -9.6410 -8.1534 -8.1530 -8.1442 -8.1442 -8.0368 -8.0368 -8.0284 -8.0281 -6.9895 -6.9894 -6.8946 -6.8943 -3.9741 -3.9722 -3.9485 -3.9484 -3.7037 -3.6937 -3.4623 -3.4593 -3.1079 -3.0982 -3.0786 -3.0742 -0.1052 -0.1051 -0.0685 -0.0683 -0.0626 -0.0625 0.5428 0.5429 0.8485 0.8489 0.8552 0.8555 3.0523 3.0529 3.0602 3.0609 5.9740 5.9799 6.3189 6.3201 6.3292 6.3332 6.9920 6.9947 8.4106 8.4106 10.2846 10.2848 k = 0.0278 0.0278-0.0000 ( 5517 PWs) bands (ev): -19.8215 -19.8215 -19.5993 -19.5993 -19.1558 -19.1558 -19.0278 -19.0278 -16.4209 -16.4209 -16.4206 -16.4206 -9.9750 -9.9749 -9.6383 -9.6383 -8.1545 -8.1542 -8.1454 -8.1454 -8.0370 -8.0370 -8.0286 -8.0285 -6.9891 -6.9890 -6.8934 -6.8932 -3.9743 -3.9729 -3.9495 -3.9494 -3.6994 -3.6926 -3.4599 -3.4580 -3.1072 -3.1000 -3.0799 -3.0764 -0.1100 -0.1100 -0.0689 -0.0687 -0.0628 -0.0627 0.5439 0.5440 0.8504 0.8507 0.8557 0.8560 3.0530 3.0535 3.0608 3.0613 5.9694 5.9734 6.3224 6.3230 6.3329 6.3354 6.9926 6.9945 8.4021 8.4021 10.2807 10.2808 k = 0.0139 0.0139-0.0000 ( 5519 PWs) bands (ev): -19.8223 -19.8223 -19.5990 -19.5990 -19.1557 -19.1557 -19.0271 -19.0271 -16.4212 -16.4212 -16.4209 -16.4209 -9.9754 -9.9754 -9.6367 -9.6367 -8.1552 -8.1550 -8.1462 -8.1462 -8.0372 -8.0372 -8.0287 -8.0287 -6.9889 -6.9889 -6.8927 -6.8926 -3.9744 -3.9737 -3.9500 -3.9499 -3.6961 -3.6927 -3.4582 -3.4573 -3.1061 -3.1023 -3.0799 -3.0780 -0.1129 -0.1129 -0.0691 -0.0690 -0.0629 -0.0629 0.5446 0.5447 0.8514 0.8515 0.8563 0.8564 3.0535 3.0537 3.0613 3.0615 5.9670 5.9689 6.3245 6.3247 6.3354 6.3366 6.9931 6.9941 8.3970 8.3970 10.2783 10.2783 k = 0.0000 0.0000 0.0000 ( 5535 PWs) bands (ev): -19.8225 -19.8225 -19.5989 -19.5989 -19.1556 -19.1556 -19.0268 -19.0268 -16.4213 -16.4213 -16.4210 -16.4210 -9.9755 -9.9755 -9.6362 -9.6362 -8.1554 -8.1554 -8.1465 -8.1465 -8.0372 -8.0372 -8.0288 -8.0288 -6.9888 -6.9888 -6.8925 -6.8925 -3.9742 -3.9742 -3.9501 -3.9501 -3.6939 -3.6939 -3.4573 -3.4573 -3.1045 -3.1045 -3.0792 -3.0792 -0.1139 -0.1139 -0.0691 -0.0691 -0.0629 -0.0629 0.5449 0.5449 0.8517 0.8517 0.8566 0.8566 3.0537 3.0537 3.0615 3.0615 5.9668 5.9668 6.3252 6.3252 6.3366 6.3366 6.9936 6.9936 8.3952 8.3952 10.2775 10.2775 k = 0.0000 0.0000 0.0000 ( 5535 PWs) bands (ev): -19.8225 -19.8225 -19.5989 -19.5989 -19.1556 -19.1556 -19.0268 -19.0268 -16.4213 -16.4213 -16.4210 -16.4210 -9.9755 -9.9755 -9.6362 -9.6362 -8.1554 -8.1554 -8.1465 -8.1465 -8.0372 -8.0372 -8.0288 -8.0288 -6.9888 -6.9888 -6.8925 -6.8925 -3.9742 -3.9742 -3.9501 -3.9501 -3.6939 -3.6939 -3.4573 -3.4573 -3.1045 -3.1045 -3.0792 -3.0792 -0.1139 -0.1139 -0.0691 -0.0691 -0.0629 -0.0629 0.5449 0.5449 0.8517 0.8517 0.8566 0.8566 3.0537 3.0537 3.0615 3.0615 5.9668 5.9668 6.3252 6.3252 6.3366 6.3366 6.9936 6.9936 8.3952 8.3952 10.2775 10.2775 k = 0.0000 0.0000 0.0201 ( 5527 PWs) bands (ev): -19.8223 -19.8223 -19.5988 -19.5988 -19.1556 -19.1556 -19.0269 -19.0269 -16.4212 -16.4212 -16.4209 -16.4209 -9.9759 -9.9759 -9.6368 -9.6368 -8.1553 -8.1553 -8.1464 -8.1464 -8.0373 -8.0373 -8.0288 -8.0288 -6.9894 -6.9894 -6.8929 -6.8929 -3.9745 -3.9745 -3.9504 -3.9504 -3.6944 -3.6944 -3.4581 -3.4581 -3.1045 -3.1045 -3.0792 -3.0792 -0.1134 -0.1134 -0.0678 -0.0678 -0.0616 -0.0616 0.5450 0.5450 0.8512 0.8512 0.8560 0.8560 3.0533 3.0533 3.0611 3.0611 5.9670 5.9670 6.3271 6.3271 6.3385 6.3385 6.9930 6.9930 8.3973 8.3973 10.2787 10.2787 k = 0.0000 0.0000 0.0402 ( 5511 PWs) bands (ev): -19.8215 -19.8215 -19.5984 -19.5984 -19.1553 -19.1553 -19.0271 -19.0271 -16.4210 -16.4210 -16.4207 -16.4207 -9.9771 -9.9771 -9.6388 -9.6388 -8.1550 -8.1550 -8.1461 -8.1461 -8.0373 -8.0373 -8.0289 -8.0289 -6.9910 -6.9910 -6.8942 -6.8942 -3.9752 -3.9752 -3.9512 -3.9512 -3.6958 -3.6958 -3.4604 -3.4604 -3.1045 -3.1045 -3.0793 -3.0793 -0.1117 -0.1117 -0.0640 -0.0640 -0.0576 -0.0576 0.5452 0.5452 0.8495 0.8495 0.8544 0.8544 3.0521 3.0521 3.0599 3.0599 5.9678 5.9678 6.3328 6.3328 6.3441 6.3441 6.9912 6.9912 8.4036 8.4036 10.2824 10.2824 k = 0.0000 0.0000 0.0603 ( 5511 PWs) bands (ev): -19.8203 -19.8203 -19.5979 -19.5979 -19.1549 -19.1549 -19.0275 -19.0275 -16.4205 -16.4205 -16.4202 -16.4202 -9.9791 -9.9791 -9.6421 -9.6421 -8.1546 -8.1546 -8.1456 -8.1456 -8.0375 -8.0375 -8.0291 -8.0291 -6.9939 -6.9939 -6.8963 -6.8963 -3.9765 -3.9765 -3.9525 -3.9525 -3.6981 -3.6981 -3.4642 -3.4642 -3.1046 -3.1046 -3.0794 -3.0794 -0.1088 -0.1088 -0.0576 -0.0576 -0.0510 -0.0510 0.5457 0.5457 0.8468 0.8468 0.8517 0.8517 3.0502 3.0502 3.0580 3.0580 5.9690 5.9690 6.3421 6.3421 6.3535 6.3535 6.9883 6.9883 8.4139 8.4139 10.2885 10.2885 k = 0.0000 0.0000 0.0804 ( 5527 PWs) bands (ev): -19.8186 -19.8186 -19.5971 -19.5971 -19.1545 -19.1545 -19.0280 -19.0280 -16.4200 -16.4200 -16.4197 -16.4197 -9.9819 -9.9819 -9.6467 -9.6467 -8.1539 -8.1539 -8.1450 -8.1450 -8.0378 -8.0378 -8.0293 -8.0293 -6.9979 -6.9979 -6.8993 -6.8993 -3.9783 -3.9783 -3.9543 -3.9543 -3.7014 -3.7014 -3.4695 -3.4695 -3.1047 -3.1047 -3.0795 -3.0795 -0.1049 -0.1049 -0.0489 -0.0489 -0.0419 -0.0419 0.5462 0.5462 0.8431 0.8431 0.8480 0.8480 3.0475 3.0475 3.0553 3.0553 5.9706 5.9706 6.3551 6.3551 6.3665 6.3665 6.9843 6.9843 8.4281 8.4281 10.2970 10.2970 k = 0.0000 0.0000 0.1005 ( 5523 PWs) bands (ev): -19.8163 -19.8163 -19.5960 -19.5960 -19.1538 -19.1538 -19.0286 -19.0286 -16.4192 -16.4192 -16.4189 -16.4189 -9.9855 -9.9855 -9.6526 -9.6526 -8.1532 -8.1532 -8.1443 -8.1443 -8.0381 -8.0381 -8.0296 -8.0296 -7.0030 -7.0030 -6.9030 -6.9030 -3.9806 -3.9806 -3.9567 -3.9567 -3.7055 -3.7055 -3.4762 -3.4762 -3.1049 -3.1049 -3.0797 -3.0797 -0.0999 -0.0999 -0.0378 -0.0378 -0.0302 -0.0302 0.5470 0.5470 0.8384 0.8384 0.8433 0.8433 3.0441 3.0441 3.0518 3.0518 5.9728 5.9728 6.3717 6.3717 6.3830 6.3830 6.9795 6.9795 8.4463 8.4463 10.3078 10.3078 k = 0.0000 0.0000 0.1206 ( 5527 PWs) bands (ev): -19.8136 -19.8136 -19.5948 -19.5948 -19.1530 -19.1530 -19.0294 -19.0294 -16.4183 -16.4183 -16.4180 -16.4180 -9.9898 -9.9898 -9.6597 -9.6597 -8.1522 -8.1522 -8.1433 -8.1433 -8.0384 -8.0384 -8.0300 -8.0300 -7.0092 -7.0092 -6.9076 -6.9076 -3.9834 -3.9834 -3.9595 -3.9595 -3.7103 -3.7103 -3.4842 -3.4842 -3.1050 -3.1050 -3.0799 -3.0799 -0.0939 -0.0939 -0.0245 -0.0245 -0.0163 -0.0163 0.5478 0.5478 0.8327 0.8327 0.8376 0.8376 3.0399 3.0399 3.0476 3.0476 5.9755 5.9755 6.3918 6.3918 6.4031 6.4031 6.9741 6.9741 8.4681 8.4681 10.3210 10.3210 k = 0.0000 0.0000 0.1407 ( 5527 PWs) bands (ev): -19.8104 -19.8104 -19.5934 -19.5934 -19.1521 -19.1521 -19.0303 -19.0303 -16.4173 -16.4173 -16.4170 -16.4170 -9.9948 -9.9948 -9.6680 -9.6680 -8.1512 -8.1512 -8.1423 -8.1423 -8.0388 -8.0388 -8.0304 -8.0304 -7.0164 -7.0164 -6.9130 -6.9130 -3.9866 -3.9866 -3.9628 -3.9628 -3.7158 -3.7158 -3.4934 -3.4934 -3.1052 -3.1052 -3.0801 -3.0801 -0.0868 -0.0868 -0.0093 -0.0093 -0.0001 -0.0001 0.5489 0.5489 0.8261 0.8261 0.8310 0.8310 3.0350 3.0350 3.0427 3.0427 5.9787 5.9787 6.4152 6.4152 6.4265 6.4265 6.9682 6.9682 8.4935 8.4935 10.3365 10.3365 k = 0.0000 0.0000 0.1608 ( 5519 PWs) bands (ev): -19.8068 -19.8068 -19.5917 -19.5917 -19.1511 -19.1511 -19.0313 -19.0313 -16.4161 -16.4161 -16.4158 -16.4158 -10.0005 -10.0005 -9.6774 -9.6774 -8.1500 -8.1500 -8.1411 -8.1411 -8.0391 -8.0391 -8.0308 -8.0308 -7.0245 -7.0245 -6.9191 -6.9191 -3.9903 -3.9903 -3.9666 -3.9666 -3.7220 -3.7220 -3.5037 -3.5037 -3.1055 -3.1055 -3.0804 -3.0804 -0.0787 -0.0787 0.0079 0.0079 0.0181 0.0181 0.5500 0.5500 0.8187 0.8187 0.8236 0.8236 3.0295 3.0295 3.0372 3.0372 5.9824 5.9824 6.4419 6.4419 6.4531 6.4531 6.9620 6.9620 8.5223 8.5223 10.3542 10.3542 k = 0.0000 0.0000 0.1808 ( 5503 PWs) bands (ev): -19.8027 -19.8027 -19.5899 -19.5899 -19.1499 -19.1499 -19.0325 -19.0325 -16.4147 -16.4147 -16.4144 -16.4144 -10.0069 -10.0069 -9.6879 -9.6879 -8.1487 -8.1487 -8.1398 -8.1398 -8.0395 -8.0395 -8.0312 -8.0312 -7.0336 -7.0336 -6.9260 -6.9260 -3.9943 -3.9943 -3.9708 -3.9708 -3.7286 -3.7286 -3.5150 -3.5150 -3.1057 -3.1057 -3.0807 -3.0807 -0.0698 -0.0698 0.0267 0.0267 0.0381 0.0381 0.5513 0.5513 0.8105 0.8105 0.8154 0.8154 3.0233 3.0233 3.0310 3.0310 5.9867 5.9867 6.4716 6.4716 6.4827 6.4827 6.9559 6.9559 8.5542 8.5542 10.3741 10.3741 k = 0.0000 0.0000 0.2009 ( 5507 PWs) bands (ev): -19.7982 -19.7982 -19.5879 -19.5879 -19.1487 -19.1487 -19.0339 -19.0339 -16.4133 -16.4133 -16.4130 -16.4130 -10.0139 -10.0139 -9.6995 -9.6995 -8.1473 -8.1473 -8.1385 -8.1385 -8.0399 -8.0399 -8.0316 -8.0316 -7.0436 -7.0436 -6.9336 -6.9336 -3.9988 -3.9988 -3.9754 -3.9754 -3.7357 -3.7357 -3.5272 -3.5272 -3.1060 -3.1060 -3.0811 -3.0811 -0.0599 -0.0599 0.0470 0.0470 0.0597 0.0597 0.5526 0.5526 0.8016 0.8016 0.8065 0.8065 3.0165 3.0165 3.0242 3.0242 5.9915 5.9915 6.5042 6.5042 6.5153 6.5153 6.9499 6.9499 8.5891 8.5891 10.3962 10.3962 k = 0.0000 0.0000 0.2210 ( 5511 PWs) bands (ev): -19.7933 -19.7933 -19.5857 -19.5857 -19.1473 -19.1473 -19.0353 -19.0353 -16.4117 -16.4117 -16.4114 -16.4114 -10.0214 -10.0214 -9.7120 -9.7120 -8.1460 -8.1460 -8.1372 -8.1372 -8.0403 -8.0403 -8.0320 -8.0320 -7.0544 -7.0544 -6.9419 -6.9419 -4.0037 -4.0037 -3.9803 -3.9803 -3.7431 -3.7431 -3.5401 -3.5401 -3.1063 -3.1063 -3.0814 -3.0814 -0.0492 -0.0492 0.0686 0.0686 0.0828 0.0828 0.5541 0.5541 0.7921 0.7921 0.7969 0.7969 3.0092 3.0092 3.0168 3.0168 5.9969 5.9969 6.5394 6.5394 6.5505 6.5505 6.9444 6.9444 8.6268 8.6268 10.4203 10.4203 k = 0.0000 0.0000 0.2411 ( 5503 PWs) bands (ev): -19.7879 -19.7879 -19.5834 -19.5834 -19.1458 -19.1458 -19.0370 -19.0370 -16.4100 -16.4100 -16.4097 -16.4097 -10.0295 -10.0295 -9.7254 -9.7254 -8.1445 -8.1445 -8.1358 -8.1358 -8.0406 -8.0406 -8.0323 -8.0323 -7.0658 -7.0658 -6.9509 -6.9509 -4.0089 -4.0089 -3.9857 -3.9857 -3.7507 -3.7507 -3.5536 -3.5536 -3.1066 -3.1066 -3.0818 -3.0818 -0.0377 -0.0377 0.0913 0.0913 0.1071 0.1071 0.5556 0.5556 0.7820 0.7820 0.7868 0.7868 3.0013 3.0013 3.0089 3.0089 6.0028 6.0028 6.5772 6.5772 6.5882 6.5882 6.9395 6.9395 8.6671 8.6671 10.4464 10.4464 k = 0.0000 0.0000 0.2612 ( 5511 PWs) bands (ev): -19.7822 -19.7822 -19.5810 -19.5810 -19.1442 -19.1442 -19.0388 -19.0388 -16.4082 -16.4082 -16.4079 -16.4079 -10.0380 -10.0380 -9.7396 -9.7396 -8.1431 -8.1431 -8.1344 -8.1344 -8.0409 -8.0409 -8.0326 -8.0326 -7.0781 -7.0781 -6.9604 -6.9604 -4.0144 -4.0144 -3.9913 -3.9913 -3.7585 -3.7585 -3.5677 -3.5677 -3.1069 -3.1069 -3.0822 -3.0822 -0.0255 -0.0255 0.1149 0.1149 0.1323 0.1323 0.5572 0.5572 0.7715 0.7715 0.7763 0.7763 2.9930 2.9930 3.0005 3.0005 6.0094 6.0094 6.6171 6.6171 6.6281 6.6281 6.9353 6.9353 8.7099 8.7099 10.4745 10.4745 k = 0.0000 0.0000 0.2813 ( 5515 PWs) bands (ev): -19.7761 -19.7761 -19.5784 -19.5784 -19.1426 -19.1426 -19.0407 -19.0407 -16.4062 -16.4062 -16.4059 -16.4059 -10.0469 -10.0469 -9.7546 -9.7546 -8.1418 -8.1418 -8.1331 -8.1331 -8.0410 -8.0410 -8.0328 -8.0328 -7.0908 -7.0908 -6.9705 -6.9705 -4.0202 -4.0202 -3.9972 -3.9972 -3.7663 -3.7663 -3.5821 -3.5821 -3.1072 -3.1072 -3.0826 -3.0826 -0.0126 -0.0126 0.1392 0.1392 0.1582 0.1582 0.5588 0.5588 0.7606 0.7606 0.7653 0.7653 2.9842 2.9842 2.9917 2.9917 6.0166 6.0166 6.6591 6.6591 6.6701 6.6701 6.9321 6.9321 8.7549 8.7549 10.5045 10.5045 k = 0.0000 0.0000 0.3014 ( 5523 PWs) bands (ev): -19.7697 -19.7697 -19.5757 -19.5757 -19.1409 -19.1409 -19.0427 -19.0427 -16.4042 -16.4042 -16.4039 -16.4039 -10.0562 -10.0562 -9.7702 -9.7702 -8.1405 -8.1405 -8.1319 -8.1319 -8.0411 -8.0411 -8.0329 -8.0329 -7.1041 -7.1041 -6.9811 -6.9811 -4.0262 -4.0262 -4.0034 -4.0034 -3.7741 -3.7741 -3.5968 -3.5968 -3.1076 -3.1076 -3.0830 -3.0830 0.0008 0.0008 0.1640 0.1640 0.1847 0.1847 0.5604 0.5604 0.7493 0.7493 0.7541 0.7541 2.9751 2.9751 2.9826 2.9826 6.0244 6.0244 6.7029 6.7029 6.7139 6.7139 6.9300 6.9300 8.8020 8.8020 10.5362 10.5362 k = 0.0000 0.0000 0.3215 ( 5531 PWs) bands (ev): -19.7630 -19.7630 -19.5730 -19.5730 -19.1391 -19.1391 -19.0449 -19.0449 -16.4022 -16.4022 -16.4019 -16.4019 -10.0659 -10.0659 -9.7863 -9.7863 -8.1393 -8.1393 -8.1307 -8.1307 -8.0410 -8.0410 -8.0328 -8.0328 -7.1179 -7.1179 -6.9922 -6.9922 -4.0325 -4.0325 -4.0098 -4.0098 -3.7818 -3.7818 -3.6116 -3.6116 -3.1079 -3.1079 -3.0835 -3.0835 0.0148 0.0148 0.1892 0.1892 0.2114 0.2114 0.5621 0.5621 0.7378 0.7378 0.7426 0.7426 2.9656 2.9656 2.9731 2.9731 6.0328 6.0328 6.7481 6.7481 6.7592 6.7592 6.9291 6.9291 8.8512 8.8512 10.5697 10.5697 k = 0.0000 0.0000 0.3416 ( 5531 PWs) bands (ev): -19.7559 -19.7559 -19.5702 -19.5702 -19.1372 -19.1372 -19.0472 -19.0472 -16.4000 -16.4000 -16.3997 -16.3997 -10.0757 -10.0757 -9.8030 -9.8030 -8.1382 -8.1382 -8.1297 -8.1297 -8.0408 -8.0408 -8.0326 -8.0326 -7.1320 -7.1320 -7.0036 -7.0036 -4.0389 -4.0389 -4.0163 -4.0163 -3.7893 -3.7893 -3.6264 -3.6264 -3.1083 -3.1083 -3.0839 -3.0839 0.0292 0.0292 0.2144 0.2144 0.2382 0.2382 0.5637 0.5637 0.7262 0.7262 0.7309 0.7309 2.9559 2.9559 2.9633 2.9633 6.0418 6.0418 6.7946 6.7946 6.8059 6.8059 6.9296 6.9296 8.9021 8.9021 10.6049 10.6049 k = 0.0000 0.0000 0.3617 ( 5531 PWs) bands (ev): -19.7486 -19.7486 -19.5673 -19.5673 -19.1353 -19.1353 -19.0496 -19.0496 -16.3978 -16.3978 -16.3975 -16.3975 -10.0857 -10.0857 -9.8200 -9.8200 -8.1373 -8.1373 -8.1288 -8.1288 -8.0404 -8.0404 -8.0322 -8.0322 -7.1463 -7.1463 -7.0155 -7.0155 -4.0454 -4.0454 -4.0230 -4.0230 -3.7966 -3.7966 -3.6412 -3.6412 -3.1087 -3.1087 -3.0844 -3.0844 0.0440 0.0440 0.2396 0.2396 0.2649 0.2649 0.5652 0.5652 0.7145 0.7145 0.7192 0.7192 2.9460 2.9460 2.9533 2.9533 6.0515 6.0515 6.8418 6.8418 6.8535 6.8535 6.9316 6.9316 8.9547 8.9547 10.6416 10.6416 k = 0.0000 0.0000 0.3818 ( 5539 PWs) bands (ev): -19.7411 -19.7411 -19.5644 -19.5644 -19.1334 -19.1334 -19.0522 -19.0522 -16.3956 -16.3956 -16.3953 -16.3953 -10.0959 -10.0959 -9.8374 -9.8374 -8.1365 -8.1365 -8.1281 -8.1281 -8.0398 -8.0398 -8.0316 -8.0316 -7.1609 -7.1609 -7.0275 -7.0275 -4.0520 -4.0520 -4.0298 -4.0298 -3.8036 -3.8036 -3.6559 -3.6559 -3.1091 -3.1091 -3.0849 -3.0849 0.0591 0.0591 0.2646 0.2646 0.2913 0.2913 0.5667 0.5667 0.7029 0.7029 0.7075 0.7075 2.9359 2.9359 2.9432 2.9432 6.0617 6.0617 6.8887 6.8887 6.9019 6.9019 6.9361 6.9361 9.0088 9.0088 10.6799 10.6799 k = 0.0000 0.0000 0.4019 ( 5559 PWs) bands (ev): -19.7334 -19.7334 -19.5615 -19.5615 -19.1315 -19.1315 -19.0549 -19.0549 -16.3934 -16.3934 -16.3931 -16.3931 -10.1061 -10.1061 -9.8549 -9.8549 -8.1360 -8.1360 -8.1277 -8.1277 -8.0390 -8.0390 -8.0308 -8.0308 -7.1757 -7.1757 -7.0398 -7.0398 -4.0587 -4.0587 -4.0367 -4.0367 -3.8103 -3.8103 -3.6703 -3.6703 -3.1095 -3.1095 -3.0853 -3.0853 0.0744 0.0744 0.2893 0.2893 0.3172 0.3172 0.5681 0.5681 0.6912 0.6912 0.6958 0.6958 2.9256 2.9256 2.9329 2.9329 6.0725 6.0725 6.9267 6.9267 6.9496 6.9496 6.9526 6.9526 9.0644 9.0644 10.7195 10.7195 k = 0.0000 0.0000 0.4220 ( 5567 PWs) bands (ev): -19.7255 -19.7255 -19.5587 -19.5587 -19.1295 -19.1295 -19.0576 -19.0576 -16.3911 -16.3911 -16.3908 -16.3908 -10.1163 -10.1163 -9.8726 -9.8726 -8.1357 -8.1357 -8.1274 -8.1274 -8.0381 -8.0381 -8.0299 -8.0299 -7.1904 -7.1904 -7.0522 -7.0522 -4.0655 -4.0655 -4.0435 -4.0435 -3.8166 -3.8166 -3.6844 -3.6844 -3.1098 -3.1098 -3.0858 -3.0858 0.0899 0.0899 0.3134 0.3134 0.3424 0.3424 0.5694 0.5694 0.6797 0.6797 0.6843 0.6843 2.9154 2.9154 2.9227 2.9227 6.0839 6.0839 6.9393 6.9393 6.9931 6.9931 7.0004 7.0004 9.1212 9.1212 10.7603 10.7603 k = 0.0000 0.0000 0.4421 ( 5568 PWs) bands (ev): -19.7175 -19.7175 -19.5558 -19.5558 -19.1276 -19.1276 -19.0605 -19.0605 -16.3888 -16.3888 -16.3885 -16.3885 -10.1264 -10.1264 -9.8903 -9.8903 -8.1355 -8.1355 -8.1272 -8.1272 -8.0369 -8.0369 -8.0287 -8.0287 -7.2051 -7.2051 -7.0646 -7.0646 -4.0722 -4.0722 -4.0504 -4.0504 -3.8226 -3.8226 -3.6981 -3.6981 -3.1102 -3.1102 -3.0863 -3.0863 0.1055 0.1055 0.3370 0.3370 0.3669 0.3669 0.5706 0.5706 0.6684 0.6684 0.6730 0.6730 2.9052 2.9052 2.9124 2.9124 6.0958 6.0958 6.9472 6.9472 7.0412 7.0412 7.0496 7.0496 9.1792 9.1792 10.8021 10.8021 k = 0.0000 0.0000 0.4622 ( 5568 PWs) bands (ev): -19.7093 -19.7093 -19.5530 -19.5530 -19.1256 -19.1256 -19.0634 -19.0634 -16.3865 -16.3865 -16.3862 -16.3862 -10.1363 -10.1363 -9.9079 -9.9079 -8.1355 -8.1355 -8.1273 -8.1273 -8.0356 -8.0356 -8.0273 -8.0273 -7.2196 -7.2196 -7.0770 -7.0770 -4.0788 -4.0788 -4.0571 -4.0571 -3.8281 -3.8281 -3.7114 -3.7114 -3.1106 -3.1106 -3.0867 -3.0867 0.1210 0.1210 0.3599 0.3599 0.3904 0.3904 0.5717 0.5717 0.6574 0.6574 0.6619 0.6619 2.8950 2.8950 2.9022 2.9022 6.1081 6.1081 6.9554 6.9554 7.0897 7.0897 7.0985 7.0985 9.2383 9.2383 10.8447 10.8447 k = 0.0000 0.0000 0.4823 ( 5564 PWs) bands (ev): -19.7011 -19.7011 -19.5504 -19.5504 -19.1237 -19.1237 -19.0663 -19.0663 -16.3843 -16.3843 -16.3840 -16.3840 -10.1461 -10.1461 -9.9254 -9.9254 -8.1357 -8.1357 -8.1275 -8.1275 -8.0341 -8.0341 -8.0258 -8.0258 -7.2339 -7.2339 -7.0893 -7.0893 -4.0853 -4.0853 -4.0638 -4.0638 -3.8332 -3.8332 -3.7242 -3.7242 -3.1110 -3.1110 -3.0872 -3.0872 0.1365 0.1365 0.3819 0.3819 0.4129 0.4129 0.5726 0.5726 0.6467 0.6467 0.6511 0.6511 2.8850 2.8850 2.8922 2.8922 6.1208 6.1208 6.9644 6.9644 7.1380 7.1380 7.1469 7.1469 9.2983 9.2983 10.8877 10.8877 k = 0.0000 0.0000 0.5023 ( 5556 PWs) bands (ev): -19.6929 -19.6929 -19.5478 -19.5478 -19.1218 -19.1218 -19.0694 -19.0694 -16.3821 -16.3821 -16.3818 -16.3818 -10.1556 -10.1556 -9.9426 -9.9426 -8.1360 -8.1360 -8.1279 -8.1279 -8.0324 -8.0324 -8.0241 -8.0241 -7.2479 -7.2479 -7.1015 -7.1015 -4.0917 -4.0917 -4.0704 -4.0704 -3.8379 -3.8379 -3.7365 -3.7365 -3.1114 -3.1114 -3.0876 -3.0876 0.1519 0.1519 0.4031 0.4031 0.4343 0.4343 0.5733 0.5733 0.6363 0.6363 0.6407 0.6407 2.8751 2.8751 2.8823 2.8823 6.1337 6.1337 6.9743 6.9743 7.1855 7.1855 7.1945 7.1945 9.3592 9.3592 10.8970 10.9026 k = 0.0000 0.0000 0.5224 ( 5560 PWs) bands (ev): -19.6847 -19.6847 -19.5453 -19.5453 -19.1199 -19.1199 -19.0724 -19.0724 -16.3799 -16.3799 -16.3796 -16.3796 -10.1648 -10.1648 -9.9595 -9.9595 -8.1366 -8.1366 -8.1285 -8.1285 -8.0307 -8.0307 -8.0223 -8.0223 -7.2616 -7.2616 -7.1134 -7.1134 -4.0980 -4.0980 -4.0767 -4.0767 -3.8421 -3.8421 -3.7482 -3.7482 -3.1117 -3.1117 -3.0881 -3.0881 0.1670 0.1670 0.4233 0.4233 0.4544 0.4544 0.5738 0.5738 0.6264 0.6264 0.6306 0.6306 2.8655 2.8655 2.8727 2.8727 6.1469 6.1469 6.9849 6.9849 7.2320 7.2320 7.2410 7.2410 9.4208 9.4208 10.8497 10.8513 k = 0.0000 0.0000 0.5425 ( 5560 PWs) bands (ev): -19.6765 -19.6765 -19.5430 -19.5430 -19.1181 -19.1181 -19.0755 -19.0755 -16.3778 -16.3778 -16.3775 -16.3775 -10.1736 -10.1736 -9.9759 -9.9759 -8.1372 -8.1372 -8.1292 -8.1292 -8.0289 -8.0289 -8.0205 -8.0205 -7.2748 -7.2748 -7.1251 -7.1251 -4.1040 -4.1040 -4.0829 -4.0829 -3.8459 -3.8459 -3.7593 -3.7593 -3.1121 -3.1121 -3.0885 -3.0885 0.1818 0.1818 0.4424 0.4424 0.4733 0.4733 0.5740 0.5740 0.6170 0.6170 0.6210 0.6210 2.8562 2.8562 2.8633 2.8633 6.1602 6.1602 6.9961 6.9961 7.2773 7.2773 7.2862 7.2862 9.4831 9.4831 10.8056 10.8081 k = 0.0000 0.0000 0.5626 ( 5548 PWs) bands (ev): -19.6685 -19.6685 -19.5408 -19.5408 -19.1164 -19.1164 -19.0785 -19.0785 -16.3758 -16.3758 -16.3755 -16.3755 -10.1820 -10.1820 -9.9918 -9.9918 -8.1379 -8.1379 -8.1299 -8.1299 -8.0270 -8.0270 -8.0186 -8.0186 -7.2875 -7.2875 -7.1363 -7.1363 -4.1098 -4.1098 -4.0888 -4.0888 -3.8493 -3.8493 -3.7699 -3.7699 -3.1124 -3.1124 -3.0889 -3.0889 0.1962 0.1962 0.4605 0.4605 0.4908 0.4908 0.5741 0.5741 0.6081 0.6081 0.6120 0.6120 2.8473 2.8473 2.8544 2.8544 6.1734 6.1734 7.0078 7.0078 7.3209 7.3209 7.3299 7.3299 9.5460 9.5460 10.7640 10.7657 k = 0.0000 0.0000 0.5827 ( 5556 PWs) bands (ev): -19.6606 -19.6606 -19.5389 -19.5389 -19.1147 -19.1147 -19.0815 -19.0815 -16.3739 -16.3739 -16.3736 -16.3736 -10.1900 -10.1900 -10.0072 -10.0072 -8.1387 -8.1387 -8.1308 -8.1308 -8.0251 -8.0251 -8.0166 -8.0166 -7.2996 -7.2996 -7.1472 -7.1472 -4.1154 -4.1154 -4.0945 -4.0945 -3.8523 -3.8523 -3.7798 -3.7798 -3.1128 -3.1128 -3.0893 -3.0893 0.2102 0.2102 0.4775 0.4775 0.5069 0.5069 0.5738 0.5738 0.5999 0.5999 0.6034 0.6034 2.8387 2.8387 2.8457 2.8457 6.1865 6.1865 7.0197 7.0197 7.3628 7.3628 7.3717 7.3717 9.6094 9.6094 10.7241 10.7280 k = 0.0000 0.0000 0.6028 ( 5560 PWs) bands (ev): -19.6528 -19.6528 -19.5371 -19.5371 -19.1131 -19.1131 -19.0845 -19.0845 -16.3720 -16.3720 -16.3717 -16.3717 -10.1974 -10.1974 -10.0218 -10.0218 -8.1396 -8.1396 -8.1317 -8.1317 -8.0233 -8.0233 -8.0148 -8.0148 -7.3111 -7.3111 -7.1574 -7.1574 -4.1207 -4.1207 -4.0999 -4.0999 -3.8549 -3.8549 -3.7890 -3.7890 -3.1131 -3.1131 -3.0897 -3.0897 0.2236 0.2236 0.4933 0.4933 0.5216 0.5216 0.5731 0.5731 0.5924 0.5924 0.5955 0.5955 2.8305 2.8305 2.8376 2.8376 6.1994 6.1994 7.0318 7.0318 7.4027 7.4027 7.4115 7.4115 9.6733 9.6733 10.6875 10.6901 k = 0.0000 0.0000 0.6229 ( 5552 PWs) bands (ev): -19.6454 -19.6454 -19.5356 -19.5356 -19.1116 -19.1116 -19.0873 -19.0873 -16.3703 -16.3703 -16.3700 -16.3700 -10.2043 -10.2043 -10.0357 -10.0357 -8.1405 -8.1405 -8.1326 -8.1326 -8.0214 -8.0214 -8.0129 -8.0129 -7.3219 -7.3219 -7.1672 -7.1672 -4.1256 -4.1256 -4.1049 -4.1049 -3.8571 -3.8571 -3.7976 -3.7976 -3.1134 -3.1134 -3.0901 -3.0901 0.2365 0.2365 0.5079 0.5079 0.5348 0.5348 0.5718 0.5718 0.5859 0.5859 0.5884 0.5884 2.8229 2.8229 2.8299 2.8299 6.2118 6.2118 7.0438 7.0438 7.4402 7.4402 7.4490 7.4490 9.7376 9.7376 10.6533 10.6554 k = 0.0000 0.0000 0.6430 ( 5556 PWs) bands (ev): -19.6382 -19.6382 -19.5342 -19.5342 -19.1102 -19.1102 -19.0901 -19.0901 -16.3686 -16.3686 -16.3683 -16.3683 -10.2106 -10.2106 -10.0487 -10.0487 -8.1414 -8.1414 -8.1335 -8.1335 -8.0196 -8.0196 -8.0111 -8.0111 -7.3320 -7.3320 -7.1763 -7.1763 -4.1302 -4.1302 -4.1096 -4.1096 -3.8590 -3.8590 -3.8056 -3.8056 -3.1137 -3.1137 -3.0904 -3.0904 0.2486 0.2486 0.5213 0.5213 0.5462 0.5462 0.5696 0.5696 0.5802 0.5802 0.5828 0.5828 2.8157 2.8157 2.8228 2.8228 6.2237 6.2237 7.0555 7.0555 7.4753 7.4753 7.4840 7.4840 9.8021 9.8021 10.6217 10.6248 k = 0.0000 0.0000 0.6631 ( 5552 PWs) bands (ev): -19.6314 -19.6314 -19.5331 -19.5331 -19.1089 -19.1089 -19.0927 -19.0927 -16.3671 -16.3671 -16.3668 -16.3668 -10.2164 -10.2164 -10.0608 -10.0608 -8.1423 -8.1423 -8.1344 -8.1344 -8.0179 -8.0179 -8.0093 -8.0093 -7.3412 -7.3412 -7.1847 -7.1847 -4.1344 -4.1344 -4.1139 -4.1139 -3.8605 -3.8605 -3.8129 -3.8129 -3.1140 -3.1140 -3.0907 -3.0907 0.2599 0.2599 0.5332 0.5332 0.5550 0.5550 0.5672 0.5672 0.5753 0.5753 0.5794 0.5794 2.8092 2.8092 2.8162 2.8162 6.2350 6.2350 7.0668 7.0668 7.5077 7.5077 7.5164 7.5164 9.8668 9.8668 10.5928 10.5932 k = 0.0000 0.0000 0.6832 ( 5552 PWs) bands (ev): -19.6251 -19.6251 -19.5322 -19.5322 -19.1077 -19.1077 -19.0951 -19.0951 -16.3658 -16.3658 -16.3655 -16.3655 -10.2215 -10.2215 -10.0719 -10.0719 -8.1431 -8.1431 -8.1353 -8.1353 -8.0164 -8.0164 -8.0077 -8.0077 -7.3496 -7.3496 -7.1923 -7.1923 -4.1383 -4.1383 -4.1179 -4.1179 -3.8616 -3.8616 -3.8196 -3.8196 -3.1142 -3.1142 -3.0910 -3.0910 0.2703 0.2703 0.5432 0.5432 0.5582 0.5582 0.5660 0.5660 0.5733 0.5733 0.5779 0.5779 2.8032 2.8032 2.8102 2.8102 6.2455 6.2455 7.0774 7.0774 7.5373 7.5373 7.5458 7.5458 9.9316 9.9316 10.5672 10.5674 k = 0.0000 0.0000 0.7033 ( 5560 PWs) bands (ev): -19.6192 -19.6192 -19.5316 -19.5316 -19.1067 -19.1067 -19.0973 -19.0973 -16.3645 -16.3645 -16.3642 -16.3642 -10.2260 -10.2260 -10.0819 -10.0819 -8.1439 -8.1439 -8.1361 -8.1361 -8.0149 -8.0149 -8.0063 -8.0063 -7.3571 -7.3571 -7.1992 -7.1992 -4.1417 -4.1417 -4.1214 -4.1214 -3.8624 -3.8624 -3.8256 -3.8256 -3.1144 -3.1144 -3.0912 -3.0912 0.2798 0.2798 0.5490 0.5490 0.5573 0.5573 0.5651 0.5651 0.5741 0.5741 0.5802 0.5802 2.7978 2.7978 2.8048 2.8048 6.2550 6.2550 7.0873 7.0873 7.5638 7.5638 7.5723 7.5723 9.9962 9.9962 10.5443 10.5481 k = 0.0000 0.0000 0.7234 ( 5560 PWs) bands (ev): -19.6139 -19.6139 -19.5311 -19.5311 -19.1058 -19.1058 -19.0993 -19.0993 -16.3635 -16.3635 -16.3632 -16.3632 -10.2299 -10.2299 -10.0907 -10.0907 -8.1446 -8.1446 -8.1368 -8.1368 -8.0136 -8.0136 -8.0050 -8.0050 -7.3637 -7.3637 -7.2053 -7.2053 -4.1448 -4.1448 -4.1245 -4.1245 -3.8629 -3.8629 -3.8310 -3.8310 -3.1146 -3.1146 -3.0915 -3.0915 0.2882 0.2882 0.5486 0.5486 0.5556 0.5556 0.5686 0.5686 0.5736 0.5736 0.5854 0.5854 2.7932 2.7932 2.8001 2.8001 6.2636 6.2636 7.0962 7.0962 7.5871 7.5871 7.5955 7.5955 10.0604 10.0604 10.5238 10.5253 k = 0.0000 0.0000 0.7435 ( 5556 PWs) bands (ev): -19.6092 -19.6092 -19.5308 -19.5308 -19.1050 -19.1050 -19.1010 -19.1010 -16.3625 -16.3625 -16.3622 -16.3622 -10.2332 -10.2332 -10.0984 -10.0984 -8.1453 -8.1453 -8.1375 -8.1375 -8.0125 -8.0125 -8.0038 -8.0038 -7.3693 -7.3693 -7.2104 -7.2104 -4.1473 -4.1473 -4.1271 -4.1271 -3.8631 -3.8631 -3.8358 -3.8358 -3.1148 -3.1148 -3.0917 -3.0917 0.2955 0.2955 0.5460 0.5460 0.5527 0.5527 0.5722 0.5722 0.5753 0.5753 0.5903 0.5903 2.7891 2.7891 2.7961 2.7961 6.2710 6.2710 7.1040 7.1040 7.6071 7.6071 7.6155 7.6155 10.1236 10.1236 10.5067 10.5071 k = 0.0000 0.0000 0.7636 ( 5564 PWs) bands (ev): -19.6052 -19.6052 -19.5306 -19.5306 -19.1043 -19.1043 -19.1025 -19.1025 -16.3618 -16.3618 -16.3615 -16.3615 -10.2358 -10.2358 -10.1047 -10.1047 -8.1458 -8.1458 -8.1380 -8.1380 -8.0116 -8.0116 -8.0029 -8.0029 -7.3740 -7.3740 -7.2147 -7.2147 -4.1495 -4.1495 -4.1293 -4.1293 -3.8631 -3.8631 -3.8398 -3.8398 -3.1149 -3.1149 -3.0918 -3.0918 0.3016 0.3016 0.5435 0.5435 0.5500 0.5500 0.5717 0.5717 0.5810 0.5810 0.5944 0.5944 2.7858 2.7858 2.7928 2.7928 6.2772 6.2772 7.1105 7.1105 7.6236 7.6236 7.6320 7.6320 10.1849 10.1849 10.4927 10.4943 k = 0.0000 0.0000 0.7837 ( 5564 PWs) bands (ev): -19.6020 -19.6020 -19.5306 -19.5306 -19.1038 -19.1038 -19.1037 -19.1037 -16.3612 -16.3612 -16.3609 -16.3609 -10.2378 -10.2378 -10.1097 -10.1097 -8.1462 -8.1462 -8.1385 -8.1385 -8.0109 -8.0109 -8.0022 -8.0022 -7.3776 -7.3776 -7.2180 -7.2180 -4.1511 -4.1511 -4.1309 -4.1309 -3.8628 -3.8628 -3.8432 -3.8432 -3.1150 -3.1150 -3.0920 -3.0920 0.3065 0.3065 0.5414 0.5414 0.5478 0.5478 0.5710 0.5710 0.5859 0.5859 0.5973 0.5973 2.7832 2.7832 2.7902 2.7902 6.2821 6.2821 7.1158 7.1158 7.6365 7.6365 7.6449 7.6449 10.2427 10.2427 10.4818 10.4837 k = 0.0000 0.0000 0.8038 ( 5564 PWs) bands (ev): -19.5997 -19.5997 -19.5305 -19.5305 -19.1045 -19.1045 -19.1035 -19.1035 -16.3608 -16.3608 -16.3605 -16.3605 -10.2393 -10.2393 -10.1133 -10.1133 -8.1465 -8.1465 -8.1388 -8.1388 -8.0103 -8.0103 -8.0016 -8.0016 -7.3802 -7.3802 -7.2205 -7.2205 -4.1523 -4.1523 -4.1322 -4.1322 -3.8625 -3.8625 -3.8458 -3.8458 -3.1151 -3.1151 -3.0920 -3.0920 0.3100 0.3100 0.5398 0.5398 0.5461 0.5461 0.5706 0.5706 0.5897 0.5897 0.5993 0.5993 2.7814 2.7814 2.7883 2.7883 6.2857 6.2857 7.1196 7.1196 7.6458 7.6458 7.6541 7.6541 10.2938 10.2938 10.4739 10.4754 k = 0.0000 0.0000 0.8238 ( 5584 PWs) bands (ev): -19.5982 -19.5982 -19.5306 -19.5306 -19.1050 -19.1050 -19.1032 -19.1032 -16.3605 -16.3605 -16.3602 -16.3602 -10.2402 -10.2402 -10.1155 -10.1155 -8.1468 -8.1468 -8.1390 -8.1390 -8.0100 -8.0100 -8.0013 -8.0013 -7.3818 -7.3818 -7.2220 -7.2220 -4.1530 -4.1530 -4.1329 -4.1329 -3.8621 -3.8621 -3.8475 -3.8475 -3.1152 -3.1152 -3.0921 -3.0921 0.3121 0.3121 0.5388 0.5388 0.5451 0.5451 0.5702 0.5702 0.5920 0.5920 0.6003 0.6003 2.7802 2.7802 2.7872 2.7872 6.2878 6.2878 7.1219 7.1219 7.6514 7.6514 7.6597 7.6597 10.3316 10.3316 10.4691 10.4695 k = 0.0000 0.0000 0.8439 ( 5576 PWs) bands (ev): -19.5977 -19.5977 -19.5306 -19.5306 -19.1052 -19.1052 -19.1032 -19.1032 -16.3604 -16.3604 -16.3601 -16.3601 -10.2404 -10.2404 -10.1162 -10.1162 -8.1468 -8.1468 -8.1391 -8.1391 -8.0099 -8.0099 -8.0012 -8.0012 -7.3824 -7.3824 -7.2224 -7.2224 -4.1533 -4.1533 -4.1331 -4.1331 -3.8620 -3.8620 -3.8480 -3.8480 -3.1152 -3.1152 -3.0921 -3.0921 0.3128 0.3128 0.5385 0.5385 0.5448 0.5448 0.5701 0.5701 0.5928 0.5928 0.6007 0.6007 2.7799 2.7799 2.7868 2.7868 6.2885 6.2885 7.1226 7.1226 7.6533 7.6533 7.6616 7.6616 10.3462 10.3462 10.4675 10.4676 k = 0.0000 0.0000 0.8439 ( 5576 PWs) bands (ev): -19.5977 -19.5977 -19.5306 -19.5306 -19.1052 -19.1052 -19.1032 -19.1032 -16.3604 -16.3604 -16.3601 -16.3601 -10.2404 -10.2404 -10.1162 -10.1162 -8.1468 -8.1468 -8.1391 -8.1391 -8.0099 -8.0099 -8.0012 -8.0012 -7.3824 -7.3824 -7.2224 -7.2224 -4.1533 -4.1533 -4.1331 -4.1331 -3.8620 -3.8620 -3.8480 -3.8480 -3.1152 -3.1152 -3.0921 -3.0921 0.3128 0.3128 0.5385 0.5385 0.5448 0.5448 0.5701 0.5701 0.5928 0.5928 0.6007 0.6007 2.7799 2.7799 2.7868 2.7868 6.2885 6.2885 7.1226 7.1226 7.6533 7.6533 7.6616 7.6616 10.3462 10.3462 10.4675 10.4679 k = 0.0000 0.0200 0.8439 ( 5560 PWs) bands (ev): -19.5977 -19.5977 -19.5306 -19.5306 -19.1052 -19.1052 -19.1031 -19.1031 -16.3604 -16.3604 -16.3601 -16.3601 -10.2407 -10.2406 -10.1167 -10.1167 -8.1464 -8.1463 -8.1386 -8.1386 -8.0097 -8.0096 -8.0010 -8.0009 -7.3823 -7.3823 -7.2227 -7.2226 -4.1544 -4.1525 -4.1335 -4.1332 -3.8633 -3.8613 -3.8486 -3.8479 -3.1157 -3.1138 -3.0925 -3.0910 0.3126 0.3129 0.5342 0.5403 0.5426 0.5438 0.5691 0.5713 0.5928 0.5964 0.6006 0.6016 2.7794 2.7799 2.7863 2.7868 6.2896 6.2903 7.1225 7.1229 7.6531 7.6535 7.6615 7.6616 10.3427 10.3427 10.4665 10.4684 k = 0.0000 0.0400 0.8439 ( 5556 PWs) bands (ev): -19.5974 -19.5974 -19.5307 -19.5307 -19.1053 -19.1053 -19.1032 -19.1032 -16.3603 -16.3603 -16.3600 -16.3600 -10.2413 -10.2412 -10.1182 -10.1182 -8.1451 -8.1450 -8.1372 -8.1371 -8.0092 -8.0090 -8.0002 -8.0002 -7.3824 -7.3823 -7.2234 -7.2231 -4.1558 -4.1522 -4.1341 -4.1335 -3.8653 -3.8614 -3.8496 -3.8483 -3.1153 -3.1116 -3.0921 -3.0893 0.3124 0.3130 0.5280 0.5379 0.5381 0.5409 0.5682 0.5724 0.5962 0.6013 0.6017 0.6038 2.7784 2.7794 2.7853 2.7862 6.2933 6.2946 7.1224 7.1232 7.6530 7.6537 7.6615 7.6617 10.3332 10.3333 10.4623 10.4654 k = 0.0000 0.0600 0.8439 ( 5550 PWs) bands (ev): -19.5969 -19.5969 -19.5309 -19.5309 -19.1055 -19.1055 -19.1034 -19.1034 -16.3602 -16.3602 -16.3599 -16.3599 -10.2423 -10.2422 -10.1206 -10.1206 -8.1431 -8.1430 -8.1347 -8.1346 -8.0084 -8.0081 -7.9989 -7.9988 -7.3825 -7.3823 -7.2244 -7.2240 -4.1576 -4.1521 -4.1352 -4.1342 -3.8680 -3.8622 -3.8511 -3.8493 -3.1141 -3.1086 -3.0909 -3.0867 0.3122 0.3129 0.5205 0.5318 0.5319 0.5372 0.5677 0.5730 0.6007 0.6039 0.6049 0.6100 2.7768 2.7783 2.7837 2.7852 6.2996 6.3017 7.1223 7.1235 7.6529 7.6540 7.6615 7.6617 10.3199 10.3202 10.4552 10.4594 k = 0.0000 0.0800 0.8439 ( 5550 PWs) bands (ev): -19.5963 -19.5963 -19.5312 -19.5312 -19.1057 -19.1057 -19.1036 -19.1036 -16.3601 -16.3601 -16.3598 -16.3598 -10.2437 -10.2435 -10.1239 -10.1238 -8.1407 -8.1405 -8.1311 -8.1310 -8.0077 -8.0072 -7.9967 -7.9965 -7.3825 -7.3824 -7.2259 -7.2254 -4.1596 -4.1524 -4.1365 -4.1351 -3.8713 -3.8637 -3.8531 -3.8508 -3.1121 -3.1048 -3.0891 -3.0835 0.3119 0.3129 0.5121 0.5241 0.5249 0.5320 0.5672 0.5730 0.6036 0.6077 0.6099 0.6175 2.7749 2.7768 2.7817 2.7836 6.3086 6.3113 7.1221 7.1238 7.6528 7.6542 7.6615 7.6618 10.3045 10.3049 10.4457 10.4507 k = 0.0000 0.1000 0.8439 ( 5550 PWs) bands (ev): -19.5956 -19.5955 -19.5315 -19.5315 -19.1060 -19.1060 -19.1039 -19.1039 -16.3599 -16.3599 -16.3596 -16.3596 -10.2454 -10.2452 -10.1280 -10.1280 -8.1380 -8.1378 -8.1263 -8.1262 -8.0069 -8.0064 -7.9935 -7.9933 -7.3826 -7.3824 -7.2279 -7.2272 -4.1618 -4.1529 -4.1381 -4.1362 -3.8752 -3.8659 -3.8556 -3.8530 -3.1094 -3.1003 -3.0865 -3.0796 0.3116 0.3129 0.5033 0.5156 0.5175 0.5257 0.5662 0.5722 0.6063 0.6108 0.6172 0.6252 2.7724 2.7749 2.7792 2.7816 6.3201 6.3236 7.1219 7.1240 7.6528 7.6545 7.6615 7.6618 10.2881 10.2887 10.4340 10.4395 k = 0.0000 0.1200 0.8439 ( 5544 PWs) bands (ev): -19.5946 -19.5946 -19.5320 -19.5320 -19.1063 -19.1063 -19.1043 -19.1043 -16.3597 -16.3596 -16.3594 -16.3594 -10.2473 -10.2471 -10.1329 -10.1329 -8.1351 -8.1348 -8.1205 -8.1204 -8.0062 -8.0055 -7.9893 -7.9891 -7.3826 -7.3824 -7.2302 -7.2294 -4.1641 -4.1536 -4.1398 -4.1375 -3.8798 -3.8688 -3.8587 -3.8558 -3.1059 -3.0951 -3.0832 -3.0750 0.3113 0.3129 0.4942 0.5068 0.5096 0.5186 0.5645 0.5705 0.6093 0.6143 0.6247 0.6329 2.7695 2.7724 2.7764 2.7793 6.3342 6.3383 7.1214 7.1240 7.6528 7.6548 7.6616 7.6619 10.2713 10.2722 10.4203 10.4262 k = 0.0000 0.1400 0.8439 ( 5548 PWs) bands (ev): -19.5935 -19.5935 -19.5325 -19.5325 -19.1067 -19.1067 -19.1047 -19.1047 -16.3595 -16.3594 -16.3592 -16.3591 -10.2496 -10.2493 -10.1386 -10.1386 -8.1320 -8.1317 -8.1139 -8.1137 -8.0054 -8.0046 -7.9843 -7.9840 -7.3827 -7.3824 -7.2329 -7.2320 -4.1665 -4.1544 -4.1417 -4.1389 -3.8849 -3.8723 -3.8624 -3.8594 -3.1017 -3.0894 -3.0793 -3.0698 0.3111 0.3129 0.4850 0.4979 0.5014 0.5109 0.5620 0.5679 0.6129 0.6181 0.6321 0.6403 2.7663 2.7696 2.7733 2.7766 6.3506 6.3554 7.1206 7.1236 7.6528 7.6551 7.6616 7.6620 10.2547 10.2557 10.4048 10.4108 k = 0.0000 0.1600 0.8439 ( 5548 PWs) bands (ev): -19.5922 -19.5922 -19.5331 -19.5331 -19.1072 -19.1071 -19.1051 -19.1051 -16.3592 -16.3591 -16.3589 -16.3588 -10.2519 -10.2517 -10.1449 -10.1448 -8.1287 -8.1284 -8.1068 -8.1066 -8.0043 -8.0033 -7.9785 -7.9782 -7.3826 -7.3823 -7.2361 -7.2351 -4.1688 -4.1553 -4.1437 -4.1403 -3.8906 -3.8765 -3.8667 -3.8637 -3.0970 -3.0831 -3.0747 -3.0640 0.3110 0.3131 0.4760 0.4890 0.4931 0.5029 0.5584 0.5643 0.6167 0.6222 0.6392 0.6474 2.7627 2.7664 2.7699 2.7736 6.3694 6.3748 7.1193 7.1228 7.6529 7.6554 7.6616 7.6620 10.2383 10.2396 10.3878 10.3937 k = 0.0000 0.1800 0.8439 ( 5550 PWs) bands (ev): -19.5908 -19.5908 -19.5338 -19.5338 -19.1076 -19.1076 -19.1056 -19.1056 -16.3589 -16.3588 -16.3586 -16.3585 -10.2545 -10.2541 -10.1517 -10.1516 -8.1254 -8.1251 -8.0994 -8.0991 -8.0027 -8.0017 -7.9721 -7.9718 -7.3824 -7.3822 -7.2396 -7.2385 -4.1709 -4.1562 -4.1455 -4.1417 -3.8967 -3.8812 -3.8717 -3.8688 -3.0917 -3.0764 -3.0696 -3.0577 0.3111 0.3134 0.4671 0.4803 0.4846 0.4947 0.5538 0.5597 0.6210 0.6265 0.6461 0.6542 2.7588 2.7630 2.7662 2.7704 6.3904 6.3963 7.1173 7.1213 7.6529 7.6557 7.6617 7.6621 10.2225 10.2240 10.3695 10.3752 k = 0.0000 0.2000 0.8439 ( 5562 PWs) bands (ev): -19.5893 -19.5893 -19.5346 -19.5346 -19.1081 -19.1081 -19.1061 -19.1061 -16.3586 -16.3585 -16.3583 -16.3582 -10.2570 -10.2567 -10.1590 -10.1589 -8.1220 -8.1217 -8.0921 -8.0917 -8.0006 -7.9994 -7.9651 -7.9648 -7.3821 -7.3819 -7.2436 -7.2424 -4.1728 -4.1570 -4.1473 -4.1430 -3.9034 -3.8866 -3.8773 -3.8745 -3.0860 -3.0694 -3.0640 -3.0509 0.3114 0.3140 0.4586 0.4719 0.4761 0.4864 0.5482 0.5541 0.6254 0.6311 0.6525 0.6606 2.7548 2.7593 2.7624 2.7671 6.4134 6.4199 7.1145 7.1190 7.6530 7.6559 7.6618 7.6621 10.2074 10.2090 10.3502 10.3555 k = 0.0000 0.2200 0.8439 ( 5556 PWs) bands (ev): -19.5876 -19.5876 -19.5354 -19.5354 -19.1086 -19.1086 -19.1066 -19.1066 -16.3583 -16.3581 -16.3580 -16.3579 -10.2596 -10.2592 -10.1666 -10.1665 -8.1186 -8.1182 -8.0852 -8.0847 -7.9976 -7.9962 -7.9577 -7.9574 -7.3817 -7.3814 -7.2480 -7.2467 -4.1744 -4.1577 -4.1489 -4.1442 -3.9105 -3.8924 -3.8835 -3.8810 -3.0799 -3.0621 -3.0581 -3.0438 0.3121 0.3148 0.4504 0.4638 0.4677 0.4781 0.5416 0.5474 0.6301 0.6358 0.6585 0.6665 2.7506 2.7556 2.7586 2.7636 6.4384 6.4454 7.1107 7.1157 7.6531 7.6561 7.6618 7.6622 10.1930 10.1948 10.3300 10.3349 k = 0.0000 0.2400 0.8439 ( 5552 PWs) bands (ev): -19.5859 -19.5859 -19.5364 -19.5364 -19.1091 -19.1091 -19.1072 -19.1072 -16.3579 -16.3578 -16.3577 -16.3576 -10.2621 -10.2617 -10.1744 -10.1743 -8.1151 -8.1148 -8.0791 -8.0785 -7.9935 -7.9920 -7.9500 -7.9497 -7.3810 -7.3808 -7.2527 -7.2514 -4.1756 -4.1582 -4.1503 -4.1452 -3.9179 -3.8987 -3.8902 -3.8881 -3.0736 -3.0547 -3.0519 -3.0365 0.3131 0.3160 0.4427 0.4562 0.4594 0.4699 0.5342 0.5399 0.6349 0.6407 0.6640 0.6719 2.7465 2.7517 2.7546 2.7600 6.4651 6.4727 7.1057 7.1113 7.6532 7.6563 7.6619 7.6623 10.1795 10.1814 10.3094 10.3139 k = 0.0000 0.2600 0.8439 ( 5554 PWs) bands (ev): -19.5840 -19.5840 -19.5375 -19.5375 -19.1097 -19.1096 -19.1078 -19.1078 -16.3576 -16.3575 -16.3574 -16.3572 -10.2644 -10.2640 -10.1825 -10.1823 -8.1117 -8.1114 -8.0740 -8.0733 -7.9882 -7.9867 -7.9422 -7.9419 -7.3800 -7.3799 -7.2578 -7.2564 -4.1764 -4.1585 -4.1513 -4.1460 -3.9255 -3.9054 -3.8973 -3.8957 -3.0670 -3.0471 -3.0456 -3.0291 0.3145 0.3176 0.4354 0.4491 0.4513 0.4619 0.5258 0.5314 0.6399 0.6457 0.6691 0.6768 2.7423 2.7479 2.7506 2.7563 6.4934 6.5015 7.0993 7.1055 7.6533 7.6565 7.6620 7.6624 10.1670 10.1689 10.2885 10.2926 k = 0.0000 0.2800 0.8439 ( 5550 PWs) bands (ev): -19.5820 -19.5820 -19.5387 -19.5386 -19.1102 -19.1101 -19.1083 -19.1083 -16.3573 -16.3571 -16.3571 -16.3569 -10.2665 -10.2661 -10.1905 -10.1904 -8.1083 -8.1080 -8.0701 -8.0694 -7.9817 -7.9802 -7.9345 -7.9342 -7.3787 -7.3786 -7.2632 -7.2618 -4.1767 -4.1585 -4.1521 -4.1467 -3.9333 -3.9124 -3.9048 -3.9038 -3.0602 -3.0395 -3.0393 -3.0219 0.3164 0.3196 0.4287 0.4424 0.4435 0.4541 0.5167 0.5222 0.6449 0.6507 0.6736 0.6812 2.7383 2.7442 2.7466 2.7527 6.5231 6.5316 7.0915 7.0981 7.6535 7.6566 7.6621 7.6626 10.1554 10.1574 10.2678 10.2714 k = 0.0000 0.3000 0.8439 ( 5550 PWs) bands (ev): -19.5799 -19.5799 -19.5399 -19.5399 -19.1106 -19.1106 -19.1089 -19.1089 -16.3569 -16.3568 -16.3567 -16.3566 -10.2683 -10.2679 -10.1986 -10.1984 -8.1050 -8.1047 -8.0673 -8.0666 -7.9742 -7.9727 -7.9271 -7.9268 -7.3771 -7.3771 -7.2690 -7.2676 -4.1764 -4.1582 -4.1525 -4.1471 -3.9411 -3.9195 -3.9126 -3.9122 -3.0535 -3.0332 -3.0321 -3.0148 0.3188 0.3222 0.4226 0.4360 0.4364 0.4467 0.5069 0.5122 0.6498 0.6557 0.6776 0.6851 2.7345 2.7407 2.7427 2.7491 6.5540 6.5630 7.0819 7.0891 7.6537 7.6567 7.6621 7.6626 10.1449 10.1470 10.2475 10.2506 k = 0.0000 0.3200 0.8439 ( 5546 PWs) bands (ev): -19.5778 -19.5778 -19.5413 -19.5413 -19.1111 -19.1111 -19.1094 -19.1094 -16.3566 -16.3565 -16.3564 -16.3563 -10.2698 -10.2694 -10.2065 -10.2063 -8.1017 -8.1014 -8.0656 -8.0649 -7.9659 -7.9644 -7.9201 -7.9198 -7.3751 -7.3751 -7.2752 -7.2737 -4.1757 -4.1577 -4.1526 -4.1474 -3.9487 -3.9267 -3.9208 -3.9204 -3.0468 -3.0274 -3.0247 -3.0081 0.3219 0.3254 0.4171 0.4290 0.4309 0.4395 0.4967 0.5017 0.6547 0.6606 0.6810 0.6884 2.7310 2.7375 2.7390 2.7456 6.5859 6.5952 7.0705 7.0782 7.6539 7.6569 7.6621 7.6627 10.1355 10.1376 10.2278 10.2305 k = 0.0000 0.3400 0.8439 ( 5548 PWs) bands (ev): -19.5756 -19.5756 -19.5428 -19.5427 -19.1115 -19.1115 -19.1100 -19.1100 -16.3563 -16.3562 -16.3561 -16.3560 -10.2710 -10.2705 -10.2142 -10.2140 -8.0986 -8.0983 -8.0648 -8.0642 -7.9572 -7.9557 -7.9137 -7.9135 -7.3727 -7.3726 -7.2815 -7.2800 -4.1744 -4.1569 -4.1523 -4.1475 -3.9560 -3.9338 -3.9295 -3.9281 -3.0403 -3.0221 -3.0177 -3.0019 0.3257 0.3292 0.4123 0.4225 0.4260 0.4328 0.4860 0.4908 0.6594 0.6654 0.6839 0.6911 2.7278 2.7345 2.7354 2.7422 6.6186 6.6282 7.0571 7.0654 7.6543 7.6571 7.6620 7.6627 10.1273 10.1294 10.2091 10.2113 k = 0.0000 0.3600 0.8439 ( 5548 PWs) bands (ev): -19.5734 -19.5734 -19.5443 -19.5443 -19.1119 -19.1118 -19.1105 -19.1105 -16.3560 -16.3559 -16.3559 -16.3557 -10.2716 -10.2712 -10.2216 -10.2214 -8.0954 -8.0951 -8.0648 -8.0642 -7.9482 -7.9469 -7.9081 -7.9079 -7.3699 -7.3696 -7.2882 -7.2867 -4.1727 -4.1558 -4.1519 -4.1476 -3.9628 -3.9407 -3.9381 -3.9356 -3.0340 -3.0172 -3.0110 -2.9964 0.3301 0.3337 0.4080 0.4165 0.4216 0.4266 0.4752 0.4795 0.6640 0.6700 0.6862 0.6933 2.7249 2.7319 2.7320 2.7390 6.6517 6.6617 7.0418 7.0505 7.6547 7.6573 7.6619 7.6627 10.1204 10.1224 10.1916 10.1934 k = 0.0000 0.3800 0.8439 ( 5548 PWs) bands (ev): -19.5711 -19.5711 -19.5460 -19.5460 -19.1122 -19.1122 -19.1110 -19.1110 -16.3558 -16.3557 -16.3556 -16.3555 -10.2718 -10.2714 -10.2287 -10.2285 -8.0924 -8.0921 -8.0653 -8.0648 -7.9394 -7.9381 -7.9034 -7.9033 -7.3665 -7.3661 -7.2950 -7.2935 -4.1706 -4.1546 -4.1512 -4.1477 -3.9690 -3.9472 -3.9465 -3.9427 -3.0281 -3.0131 -3.0047 -2.9915 0.3352 0.3388 0.4042 0.4113 0.4173 0.4213 0.4644 0.4682 0.6683 0.6743 0.6880 0.6950 2.7225 2.7288 2.7296 2.7360 6.6852 6.6955 7.0243 7.0335 7.6552 7.6576 7.6617 7.6625 10.1148 10.1167 10.1754 10.1768 k = 0.0000 0.4000 0.8439 ( 5548 PWs) bands (ev): -19.5689 -19.5689 -19.5477 -19.5477 -19.1125 -19.1124 -19.1114 -19.1114 -16.3556 -16.3554 -16.3554 -16.3553 -10.2715 -10.2711 -10.2354 -10.2351 -8.0894 -8.0891 -8.0663 -8.0658 -7.9310 -7.9298 -7.8998 -7.8997 -7.3626 -7.3621 -7.3019 -7.3005 -4.1681 -4.1533 -4.1504 -4.1479 -3.9742 -3.9544 -3.9530 -3.9492 -3.0226 -3.0096 -2.9990 -2.9875 0.3411 0.3445 0.4005 0.4072 0.4123 0.4177 0.4539 0.4569 0.6723 0.6784 0.6891 0.6960 2.7205 2.7260 2.7277 2.7334 6.7187 6.7292 7.0048 7.0144 7.6557 7.6580 7.6614 7.6624 10.1106 10.1124 10.1608 10.1618 k = 0.0000 0.4200 0.8439 ( 5552 PWs) bands (ev): -19.5666 -19.5666 -19.5496 -19.5496 -19.1126 -19.1126 -19.1118 -19.1118 -16.3554 -16.3553 -16.3552 -16.3551 -10.2705 -10.2702 -10.2416 -10.2413 -8.0865 -8.0862 -8.0677 -8.0673 -7.9231 -7.9220 -7.8974 -7.8973 -7.3582 -7.3576 -7.3088 -7.3075 -4.1653 -4.1520 -4.1496 -4.1484 -3.9783 -3.9617 -3.9580 -3.9549 -3.0178 -3.0070 -2.9939 -2.9844 0.3476 0.3508 0.3966 0.4047 0.4067 0.4156 0.4440 0.4459 0.6760 0.6822 0.6897 0.6965 2.7189 2.7235 2.7263 2.7310 6.7521 6.7627 6.9832 6.9932 7.6563 7.6584 7.6611 7.6621 10.1079 10.1095 10.1479 10.1485 k = 0.0000 0.4400 0.8439 ( 5552 PWs) bands (ev): -19.5643 -19.5643 -19.5515 -19.5515 -19.1128 -19.1128 -19.1122 -19.1121 -16.3552 -16.3551 -16.3550 -16.3550 -10.2690 -10.2687 -10.2472 -10.2470 -8.0837 -8.0834 -8.0694 -8.0690 -7.9160 -7.9150 -7.8963 -7.8960 -7.3533 -7.3526 -7.3158 -7.3145 -4.1625 -4.1507 -4.1492 -4.1489 -3.9812 -3.9682 -3.9621 -3.9597 -3.0135 -3.0053 -2.9896 -2.9822 0.3547 0.3575 0.3923 0.4005 0.4039 0.4146 0.4352 0.4355 0.6793 0.6856 0.6898 0.6965 2.7179 2.7214 2.7254 2.7290 6.7849 6.7957 6.9597 6.9699 7.6570 7.6589 7.6607 7.6618 10.1068 10.1082 10.1367 10.1370 k = 0.0000 0.4600 0.8439 ( 5544 PWs) bands (ev): -19.5621 -19.5621 -19.5535 -19.5535 -19.1128 -19.1128 -19.1124 -19.1124 -16.3551 -16.3551 -16.3549 -16.3549 -10.2669 -10.2666 -10.2524 -10.2521 -8.0809 -8.0807 -8.0714 -8.0710 -7.9098 -7.9089 -7.8965 -7.8961 -7.3479 -7.3471 -7.3227 -7.3215 -4.1596 -4.1505 -4.1496 -4.1484 -3.9826 -3.9737 -3.9650 -3.9634 -3.0100 -3.0044 -2.9860 -2.9810 0.3624 0.3643 0.3878 0.3938 0.4047 0.4146 0.4260 0.4279 0.6823 0.6886 0.6893 0.6959 2.7173 2.7197 2.7249 2.7273 6.8171 6.8279 6.9343 6.9448 7.6577 7.6594 7.6602 7.6614 10.1073 10.1085 10.1273 10.1274 k = 0.0000 0.4800 0.8439 ( 5548 PWs) bands (ev): -19.5598 -19.5598 -19.5555 -19.5555 -19.1128 -19.1128 -19.1126 -19.1126 -16.3550 -16.3550 -16.3548 -16.3548 -10.2642 -10.2639 -10.2569 -10.2566 -8.0784 -8.0781 -8.0735 -8.0732 -7.9046 -7.9039 -7.8979 -7.8974 -7.3421 -7.3412 -7.3294 -7.3283 -4.1568 -4.1522 -4.1488 -4.1482 -3.9826 -3.9780 -3.9666 -3.9658 -3.0073 -3.0045 -2.9834 -2.9808 0.3704 0.3710 0.3828 0.3864 0.4071 0.4158 0.4178 0.4222 0.6848 0.6883 0.6911 0.6948 2.7172 2.7184 2.7248 2.7260 6.8484 6.8592 6.9072 6.9178 7.6583 7.6596 7.6599 7.6609 10.1096 10.1106 10.1195 10.1200 k = 0.0000 0.5000 0.8439 ( 5536 PWs) bands (ev): -19.5577 -19.5577 -19.5577 -19.5577 -19.1128 -19.1128 -19.1127 -19.1127 -16.3550 -16.3550 -16.3548 -16.3548 -10.2609 -10.2609 -10.2606 -10.2606 -8.0758 -8.0758 -8.0755 -8.0755 -7.9006 -7.9006 -7.9000 -7.9000 -7.3359 -7.3359 -7.3348 -7.3348 -4.1543 -4.1543 -4.1483 -4.1483 -3.9810 -3.9810 -3.9669 -3.9669 -3.0055 -3.0055 -2.9816 -2.9816 0.3773 0.3773 0.3785 0.3785 0.4115 0.4115 0.4183 0.4183 0.6868 0.6868 0.6932 0.6932 2.7175 2.7175 2.7252 2.7252 6.8785 6.8785 6.8892 6.8892 7.6590 7.6590 7.6604 7.6604 10.1136 10.1136 10.1144 10.1144 k = 0.0000 0.5000 0.8439 ( 5536 PWs) bands (ev): -19.5577 -19.5577 -19.5577 -19.5577 -19.1128 -19.1128 -19.1127 -19.1127 -16.3550 -16.3550 -16.3548 -16.3548 -10.2609 -10.2609 -10.2606 -10.2606 -8.0758 -8.0758 -8.0755 -8.0755 -7.9006 -7.9006 -7.9000 -7.9000 -7.3359 -7.3359 -7.3348 -7.3348 -4.1543 -4.1543 -4.1483 -4.1483 -3.9810 -3.9810 -3.9669 -3.9669 -3.0055 -3.0055 -2.9816 -2.9816 0.3773 0.3773 0.3785 0.3785 0.4115 0.4115 0.4183 0.4183 0.6868 0.6868 0.6932 0.6932 2.7175 2.7175 2.7252 2.7252 6.8785 6.8785 6.8892 6.8892 7.6590 7.6590 7.6604 7.6604 10.1136 10.1136 10.1144 10.1144 k = 0.0200 0.5000 0.8439 ( 5540 PWs) bands (ev): -19.5576 -19.5576 -19.5576 -19.5576 -19.1128 -19.1128 -19.1128 -19.1128 -16.3550 -16.3550 -16.3548 -16.3548 -10.2612 -10.2612 -10.2608 -10.2608 -8.0754 -8.0754 -8.0750 -8.0750 -7.9005 -7.9005 -7.8998 -7.8998 -7.3361 -7.3361 -7.3350 -7.3350 -4.1548 -4.1548 -4.1488 -4.1488 -3.9808 -3.9808 -3.9666 -3.9666 -3.0056 -3.0056 -2.9818 -2.9818 0.3760 0.3760 0.3787 0.3787 0.4121 0.4121 0.4192 0.4192 0.6869 0.6869 0.6933 0.6933 2.7173 2.7173 2.7249 2.7249 6.8778 6.8778 6.8886 6.8886 7.6591 7.6591 7.6606 7.6606 10.1134 10.1134 10.1141 10.1141 k = 0.0400 0.5000 0.8439 ( 5532 PWs) bands (ev): -19.5576 -19.5576 -19.5576 -19.5576 -19.1129 -19.1129 -19.1128 -19.1128 -16.3549 -16.3549 -16.3548 -16.3548 -10.2620 -10.2620 -10.2617 -10.2617 -8.0738 -8.0738 -8.0735 -8.0735 -7.8999 -7.8999 -7.8993 -7.8993 -7.3365 -7.3365 -7.3354 -7.3354 -4.1561 -4.1561 -4.1502 -4.1502 -3.9800 -3.9800 -3.9659 -3.9659 -3.0061 -3.0061 -2.9824 -2.9824 0.3736 0.3736 0.3780 0.3780 0.4139 0.4139 0.4218 0.4218 0.6872 0.6872 0.6937 0.6937 2.7166 2.7166 2.7242 2.7242 6.8760 6.8760 6.8867 6.8867 7.6596 7.6596 7.6611 7.6611 10.1127 10.1127 10.1135 10.1135 k = 0.0600 0.5000 0.8439 ( 5532 PWs) bands (ev): -19.5575 -19.5575 -19.5575 -19.5575 -19.1130 -19.1130 -19.1130 -19.1130 -16.3549 -16.3549 -16.3547 -16.3547 -10.2635 -10.2635 -10.2632 -10.2632 -8.0714 -8.0714 -8.0710 -8.0710 -7.8989 -7.8989 -7.8983 -7.8983 -7.3373 -7.3373 -7.3362 -7.3362 -4.1584 -4.1584 -4.1526 -4.1526 -3.9788 -3.9788 -3.9646 -3.9646 -3.0069 -3.0069 -2.9834 -2.9834 0.3707 0.3707 0.3763 0.3763 0.4169 0.4169 0.4255 0.4255 0.6878 0.6878 0.6942 0.6942 2.7153 2.7153 2.7229 2.7229 6.8730 6.8730 6.8836 6.8836 7.6603 7.6603 7.6619 7.6619 10.1116 10.1116 10.1124 10.1124 k = 0.0800 0.5000 0.8439 ( 5540 PWs) bands (ev): -19.5573 -19.5573 -19.5573 -19.5573 -19.1132 -19.1132 -19.1132 -19.1132 -16.3548 -16.3548 -16.3546 -16.3546 -10.2655 -10.2655 -10.2651 -10.2651 -8.0681 -8.0681 -8.0676 -8.0676 -7.8976 -7.8976 -7.8970 -7.8970 -7.3385 -7.3385 -7.3372 -7.3372 -4.1615 -4.1615 -4.1558 -4.1558 -3.9771 -3.9771 -3.9629 -3.9629 -3.0080 -3.0080 -2.9847 -2.9847 0.3676 0.3676 0.3739 0.3739 0.4209 0.4209 0.4300 0.4300 0.6885 0.6885 0.6950 0.6950 2.7137 2.7137 2.7211 2.7211 6.8689 6.8689 6.8793 6.8793 7.6613 7.6613 7.6630 7.6630 10.1100 10.1100 10.1109 10.1109 k = 0.1000 0.5000 0.8439 ( 5528 PWs) bands (ev): -19.5571 -19.5571 -19.5571 -19.5571 -19.1134 -19.1134 -19.1134 -19.1134 -16.3547 -16.3547 -16.3545 -16.3545 -10.2679 -10.2679 -10.2676 -10.2676 -8.0639 -8.0639 -8.0634 -8.0634 -7.8958 -7.8958 -7.8951 -7.8951 -7.3399 -7.3399 -7.3386 -7.3386 -4.1653 -4.1653 -4.1599 -4.1599 -3.9750 -3.9750 -3.9607 -3.9607 -3.0094 -3.0094 -2.9865 -2.9865 0.3644 0.3644 0.3711 0.3711 0.4256 0.4256 0.4351 0.4351 0.6895 0.6895 0.6959 0.6959 2.7116 2.7116 2.7189 2.7189 6.8637 6.8637 6.8739 6.8739 7.6625 7.6625 7.6644 7.6644 10.1080 10.1080 10.1090 10.1090 k = 0.1200 0.5000 0.8439 ( 5528 PWs) bands (ev): -19.5569 -19.5569 -19.5569 -19.5569 -19.1137 -19.1137 -19.1137 -19.1137 -16.3546 -16.3546 -16.3544 -16.3544 -10.2709 -10.2709 -10.2705 -10.2705 -8.0590 -8.0590 -8.0585 -8.0585 -7.8936 -7.8936 -7.8929 -7.8929 -7.3416 -7.3416 -7.3402 -7.3402 -4.1699 -4.1699 -4.1647 -4.1647 -3.9724 -3.9724 -3.9581 -3.9581 -3.0111 -3.0111 -2.9885 -2.9885 0.3611 0.3611 0.3680 0.3680 0.4310 0.4310 0.4405 0.4405 0.6905 0.6905 0.6970 0.6970 2.7091 2.7091 2.7162 2.7162 6.8576 6.8576 6.8676 6.8676 7.6640 7.6640 7.6659 7.6659 10.1057 10.1057 10.1067 10.1067 k = 0.1400 0.5000 0.8439 ( 5536 PWs) bands (ev): -19.5566 -19.5566 -19.5566 -19.5566 -19.1140 -19.1140 -19.1140 -19.1140 -16.3544 -16.3544 -16.3543 -16.3543 -10.2742 -10.2742 -10.2739 -10.2739 -8.0536 -8.0536 -8.0531 -8.0531 -7.8909 -7.8909 -7.8902 -7.8902 -7.3436 -7.3436 -7.3421 -7.3421 -4.1752 -4.1752 -4.1702 -4.1702 -3.9694 -3.9694 -3.9552 -3.9552 -3.0130 -3.0130 -2.9910 -2.9910 0.3579 0.3579 0.3648 0.3648 0.4367 0.4367 0.4463 0.4463 0.6918 0.6918 0.6982 0.6982 2.7062 2.7062 2.7132 2.7132 6.8505 6.8505 6.8603 6.8603 7.6656 7.6656 7.6677 7.6677 10.1030 10.1030 10.1041 10.1041 k = 0.1600 0.5000 0.8439 ( 5536 PWs) bands (ev): -19.5563 -19.5563 -19.5563 -19.5563 -19.1144 -19.1144 -19.1143 -19.1143 -16.3543 -16.3543 -16.3541 -16.3541 -10.2779 -10.2779 -10.2776 -10.2776 -8.0478 -8.0478 -8.0472 -8.0472 -7.8876 -7.8876 -7.8869 -7.8869 -7.3458 -7.3458 -7.3443 -7.3443 -4.1811 -4.1811 -4.1763 -4.1763 -3.9661 -3.9661 -3.9520 -3.9520 -3.0152 -3.0152 -2.9937 -2.9937 0.3548 0.3548 0.3615 0.3615 0.4428 0.4428 0.4524 0.4524 0.6931 0.6931 0.6995 0.6995 2.7030 2.7030 2.7098 2.7098 6.8428 6.8428 6.8522 6.8522 7.6675 7.6675 7.6696 7.6696 10.1000 10.1000 10.1013 10.1013 k = 0.1800 0.5000 0.8439 ( 5544 PWs) bands (ev): -19.5560 -19.5560 -19.5560 -19.5560 -19.1148 -19.1148 -19.1147 -19.1147 -16.3541 -16.3541 -16.3539 -16.3539 -10.2819 -10.2819 -10.2816 -10.2816 -8.0417 -8.0417 -8.0411 -8.0411 -7.8838 -7.8838 -7.8830 -7.8830 -7.3484 -7.3484 -7.3467 -7.3467 -4.1874 -4.1874 -4.1829 -4.1829 -3.9624 -3.9624 -3.9484 -3.9484 -3.0176 -3.0176 -2.9967 -2.9967 0.3518 0.3518 0.3583 0.3583 0.4492 0.4492 0.4587 0.4587 0.6946 0.6946 0.7009 0.7009 2.6996 2.6996 2.7062 2.7062 6.8344 6.8344 6.8435 6.8435 7.6694 7.6694 7.6717 7.6717 10.0969 10.0969 10.0982 10.0982 k = 0.2000 0.5000 0.8439 ( 5544 PWs) bands (ev): -19.5557 -19.5557 -19.5556 -19.5556 -19.1152 -19.1152 -19.1151 -19.1151 -16.3539 -16.3539 -16.3538 -16.3538 -10.2860 -10.2860 -10.2858 -10.2858 -8.0355 -8.0355 -8.0349 -8.0349 -7.8794 -7.8794 -7.8786 -7.8786 -7.3511 -7.3511 -7.3494 -7.3494 -4.1941 -4.1941 -4.1899 -4.1899 -3.9584 -3.9584 -3.9447 -3.9447 -3.0201 -3.0201 -3.0000 -3.0000 0.3489 0.3489 0.3551 0.3551 0.4557 0.4557 0.4650 0.4650 0.6961 0.6961 0.7023 0.7023 2.6960 2.6960 2.7023 2.7023 6.8256 6.8256 6.8343 6.8343 7.6715 7.6715 7.6738 7.6738 10.0936 10.0936 10.0950 10.0950 k = 0.2200 0.5000 0.8439 ( 5548 PWs) bands (ev): -19.5553 -19.5553 -19.5553 -19.5553 -19.1156 -19.1156 -19.1156 -19.1156 -16.3537 -16.3537 -16.3536 -16.3536 -10.2904 -10.2904 -10.2901 -10.2901 -8.0294 -8.0294 -8.0288 -8.0288 -7.8744 -7.8744 -7.8735 -7.8735 -7.3541 -7.3541 -7.3523 -7.3523 -4.2011 -4.2011 -4.1972 -4.1972 -3.9542 -3.9542 -3.9409 -3.9409 -3.0228 -3.0228 -3.0035 -3.0035 0.3461 0.3461 0.3520 0.3520 0.4624 0.4624 0.4715 0.4715 0.6976 0.6976 0.7037 0.7037 2.6922 2.6922 2.6983 2.6983 6.8164 6.8164 6.8247 6.8247 7.6736 7.6736 7.6759 7.6759 10.0902 10.0902 10.0917 10.0917 k = 0.2400 0.5000 0.8439 ( 5548 PWs) bands (ev): -19.5549 -19.5549 -19.5549 -19.5549 -19.1160 -19.1160 -19.1160 -19.1160 -16.3535 -16.3535 -16.3534 -16.3534 -10.2948 -10.2948 -10.2945 -10.2945 -8.0234 -8.0234 -8.0229 -8.0229 -7.8688 -7.8688 -7.8679 -7.8679 -7.3572 -7.3572 -7.3555 -7.3555 -4.2082 -4.2082 -4.2046 -4.2046 -3.9498 -3.9498 -3.9369 -3.9369 -3.0256 -3.0256 -3.0072 -3.0072 0.3434 0.3434 0.3490 0.3490 0.4692 0.4692 0.4780 0.4780 0.6991 0.6991 0.7051 0.7051 2.6884 2.6884 2.6941 2.6941 6.8070 6.8070 6.8149 6.8149 7.6757 7.6757 7.6780 7.6780 10.0869 10.0869 10.0883 10.0883 k = 0.2600 0.5000 0.8439 ( 5552 PWs) bands (ev): -19.5546 -19.5546 -19.5546 -19.5546 -19.1165 -19.1165 -19.1164 -19.1164 -16.3533 -16.3533 -16.3532 -16.3532 -10.2992 -10.2992 -10.2990 -10.2990 -8.0178 -8.0178 -8.0173 -8.0173 -7.8627 -7.8627 -7.8617 -7.8617 -7.3605 -7.3605 -7.3587 -7.3587 -4.2154 -4.2154 -4.2121 -4.2121 -3.9453 -3.9453 -3.9329 -3.9329 -3.0285 -3.0285 -3.0110 -3.0110 0.3409 0.3409 0.3461 0.3461 0.4760 0.4760 0.4845 0.4845 0.7006 0.7006 0.7065 0.7065 2.6845 2.6845 2.6899 2.6899 6.7976 6.7976 6.8050 6.8050 7.6778 7.6778 7.6801 7.6801 10.0836 10.0836 10.0850 10.0850 k = 0.2800 0.5000 0.8439 ( 5560 PWs) bands (ev): -19.5542 -19.5542 -19.5542 -19.5542 -19.1169 -19.1169 -19.1169 -19.1169 -16.3531 -16.3531 -16.3530 -16.3530 -10.3036 -10.3036 -10.3034 -10.3034 -8.0126 -8.0126 -8.0122 -8.0122 -7.8562 -7.8562 -7.8551 -7.8551 -7.3639 -7.3639 -7.3622 -7.3622 -4.2226 -4.2226 -4.2196 -4.2196 -3.9407 -3.9407 -3.9290 -3.9290 -3.0313 -3.0313 -3.0149 -3.0149 0.3385 0.3385 0.3433 0.3433 0.4827 0.4827 0.4908 0.4908 0.7021 0.7021 0.7077 0.7077 2.6807 2.6807 2.6857 2.6857 6.7883 6.7883 6.7952 6.7952 7.6799 7.6799 7.6821 7.6821 10.0804 10.0804 10.0819 10.0819 k = 0.3000 0.5000 0.8439 ( 5556 PWs) bands (ev): -19.5538 -19.5538 -19.5538 -19.5538 -19.1173 -19.1173 -19.1173 -19.1173 -16.3529 -16.3529 -16.3528 -16.3528 -10.3078 -10.3078 -10.3076 -10.3076 -8.0079 -8.0079 -8.0075 -8.0075 -7.8492 -7.8492 -7.8482 -7.8482 -7.3674 -7.3674 -7.3656 -7.3656 -4.2295 -4.2295 -4.2268 -4.2268 -3.9362 -3.9362 -3.9251 -3.9251 -3.0340 -3.0340 -3.0188 -3.0188 0.3362 0.3362 0.3406 0.3406 0.4893 0.4893 0.4969 0.4969 0.7034 0.7034 0.7088 0.7088 2.6770 2.6770 2.6817 2.6817 6.7793 6.7793 6.7856 6.7856 7.6819 7.6819 7.6840 7.6840 10.0774 10.0774 10.0788 10.0788 k = 0.3200 0.5000 0.8439 ( 5556 PWs) bands (ev): -19.5535 -19.5535 -19.5535 -19.5535 -19.1177 -19.1177 -19.1177 -19.1177 -16.3528 -16.3528 -16.3527 -16.3527 -10.3119 -10.3119 -10.3117 -10.3117 -8.0036 -8.0036 -8.0033 -8.0033 -7.8421 -7.8421 -7.8410 -7.8410 -7.3708 -7.3708 -7.3691 -7.3691 -4.2361 -4.2361 -4.2337 -4.2337 -3.9317 -3.9317 -3.9215 -3.9215 -3.0367 -3.0367 -3.0227 -3.0227 0.3342 0.3342 0.3382 0.3382 0.4956 0.4956 0.5028 0.5028 0.7047 0.7047 0.7098 0.7098 2.6734 2.6734 2.6777 2.6777 6.7707 6.7707 6.7765 6.7765 7.6838 7.6838 7.6858 7.6858 10.0746 10.0746 10.0760 10.0760 k = 0.3400 0.5000 0.8439 ( 5556 PWs) bands (ev): -19.5532 -19.5532 -19.5532 -19.5532 -19.1181 -19.1181 -19.1181 -19.1181 -16.3526 -16.3526 -16.3525 -16.3525 -10.3157 -10.3157 -10.3155 -10.3155 -7.9999 -7.9999 -7.9996 -7.9996 -7.8349 -7.8349 -7.8339 -7.8339 -7.3742 -7.3742 -7.3726 -7.3726 -4.2424 -4.2424 -4.2403 -4.2403 -3.9275 -3.9275 -3.9181 -3.9181 -3.0391 -3.0391 -3.0265 -3.0265 0.3323 0.3323 0.3358 0.3358 0.5017 0.5017 0.5083 0.5083 0.7059 0.7059 0.7106 0.7106 2.6701 2.6701 2.6740 2.6740 6.7626 6.7626 6.7678 6.7678 7.6856 7.6856 7.6874 7.6874 10.0722 10.0722 10.0735 10.0735 k = 0.3600 0.5000 0.8439 ( 5564 PWs) bands (ev): -19.5529 -19.5529 -19.5529 -19.5529 -19.1185 -19.1185 -19.1185 -19.1185 -16.3524 -16.3524 -16.3524 -16.3524 -10.3191 -10.3191 -10.3190 -10.3190 -7.9968 -7.9968 -7.9965 -7.9965 -7.8280 -7.8280 -7.8270 -7.8270 -7.3775 -7.3775 -7.3760 -7.3760 -4.2482 -4.2482 -4.2463 -4.2463 -3.9234 -3.9234 -3.9150 -3.9150 -3.0414 -3.0414 -3.0301 -3.0301 0.3306 0.3306 0.3337 0.3337 0.5074 0.5074 0.5134 0.5134 0.7070 0.7070 0.7112 0.7112 2.6671 2.6671 2.6705 2.6705 6.7552 6.7552 6.7598 6.7598 7.6873 7.6873 7.6889 7.6889 10.0699 10.0699 10.0712 10.0712 k = 0.3800 0.5000 0.8439 ( 5556 PWs) bands (ev): -19.5526 -19.5526 -19.5526 -19.5526 -19.1188 -19.1188 -19.1188 -19.1188 -16.3523 -16.3523 -16.3522 -16.3522 -10.3223 -10.3223 -10.3221 -10.3221 -7.9941 -7.9941 -7.9939 -7.9939 -7.8214 -7.8214 -7.8205 -7.8205 -7.3805 -7.3805 -7.3791 -7.3791 -4.2533 -4.2533 -4.2518 -4.2518 -3.9196 -3.9196 -3.9123 -3.9123 -3.0433 -3.0433 -3.0335 -3.0335 0.3291 0.3291 0.3318 0.3318 0.5126 0.5126 0.5179 0.5179 0.7079 0.7079 0.7117 0.7117 2.6644 2.6644 2.6674 2.6674 6.7486 6.7486 6.7525 6.7525 7.6887 7.6887 7.6902 7.6902 10.0681 10.0681 10.0691 10.0691 k = 0.4000 0.5000 0.8439 ( 5556 PWs) bands (ev): -19.5523 -19.5523 -19.5523 -19.5523 -19.1191 -19.1191 -19.1191 -19.1191 -16.3521 -16.3521 -16.3521 -16.3521 -10.3250 -10.3250 -10.3249 -10.3249 -7.9919 -7.9919 -7.9918 -7.9918 -7.8153 -7.8153 -7.8145 -7.8145 -7.3832 -7.3832 -7.3820 -7.3820 -4.2579 -4.2579 -4.2566 -4.2566 -3.9162 -3.9162 -3.9100 -3.9100 -3.0449 -3.0449 -3.0366 -3.0366 0.3279 0.3279 0.3301 0.3301 0.5173 0.5173 0.5218 0.5218 0.7088 0.7088 0.7120 0.7120 2.6620 2.6620 2.6646 2.6646 6.7428 6.7428 6.7462 6.7462 7.6901 7.6901 7.6913 7.6913 10.0665 10.0665 10.0674 10.0674 k = 0.4200 0.5000 0.8439 ( 5556 PWs) bands (ev): -19.5521 -19.5521 -19.5521 -19.5521 -19.1193 -19.1193 -19.1193 -19.1193 -16.3520 -16.3520 -16.3520 -16.3520 -10.3272 -10.3272 -10.3271 -10.3271 -7.9901 -7.9901 -7.9900 -7.9900 -7.8101 -7.8101 -7.8094 -7.8094 -7.3855 -7.3855 -7.3845 -7.3845 -4.2616 -4.2616 -4.2606 -4.2606 -3.9132 -3.9132 -3.9081 -3.9081 -3.0461 -3.0461 -3.0394 -3.0394 0.3269 0.3269 0.3287 0.3287 0.5214 0.5214 0.5251 0.5251 0.7095 0.7095 0.7122 0.7122 2.6601 2.6601 2.6622 2.6622 6.7381 6.7381 6.7408 6.7408 7.6912 7.6912 7.6922 7.6922 10.0652 10.0652 10.0660 10.0660 k = 0.4400 0.5000 0.8439 ( 5568 PWs) bands (ev): -19.5520 -19.5520 -19.5520 -19.5520 -19.1195 -19.1195 -19.1195 -19.1195 -16.3519 -16.3519 -16.3519 -16.3519 -10.3290 -10.3290 -10.3290 -10.3290 -7.9888 -7.9888 -7.9887 -7.9887 -7.8058 -7.8058 -7.8053 -7.8053 -7.3874 -7.3874 -7.3866 -7.3866 -4.2646 -4.2646 -4.2638 -4.2638 -3.9107 -3.9107 -3.9068 -3.9068 -3.0469 -3.0469 -3.0419 -3.0419 0.3262 0.3262 0.3275 0.3275 0.5247 0.5247 0.5275 0.5275 0.7101 0.7101 0.7122 0.7122 2.6587 2.6587 2.6602 2.6602 6.7343 6.7343 6.7364 6.7364 7.6921 7.6921 7.6928 7.6928 10.0643 10.0643 10.0649 10.0649 k = 0.4600 0.5000 0.8439 ( 5576 PWs) bands (ev): -19.5519 -19.5519 -19.5519 -19.5519 -19.1197 -19.1197 -19.1197 -19.1197 -16.3519 -16.3519 -16.3519 -16.3519 -10.3303 -10.3303 -10.3303 -10.3303 -7.9879 -7.9879 -7.9878 -7.9878 -7.8026 -7.8026 -7.8022 -7.8022 -7.3887 -7.3887 -7.3882 -7.3882 -4.2667 -4.2667 -4.2662 -4.2662 -3.9086 -3.9086 -3.9060 -3.9060 -3.0473 -3.0473 -3.0439 -3.0439 0.3257 0.3257 0.3266 0.3266 0.5273 0.5273 0.5292 0.5292 0.7107 0.7107 0.7121 0.7121 2.6577 2.6577 2.6587 2.6587 6.7317 6.7317 6.7331 6.7331 7.6928 7.6928 7.6933 7.6933 10.0636 10.0636 10.0640 10.0640 k = 0.4800 0.5000 0.8439 ( 5592 PWs) bands (ev): -19.5518 -19.5518 -19.5518 -19.5518 -19.1198 -19.1198 -19.1198 -19.1198 -16.3518 -16.3518 -16.3518 -16.3518 -10.3311 -10.3311 -10.3311 -10.3311 -7.9874 -7.9874 -7.9873 -7.9873 -7.8006 -7.8006 -7.8004 -7.8004 -7.3895 -7.3895 -7.3893 -7.3893 -4.2680 -4.2680 -4.2677 -4.2677 -3.9071 -3.9071 -3.9058 -3.9058 -3.0472 -3.0472 -3.0455 -3.0455 0.3255 0.3255 0.3259 0.3259 0.5291 0.5291 0.5300 0.5300 0.7112 0.7112 0.7119 0.7119 2.6572 2.6572 2.6577 2.6577 6.7303 6.7303 6.7310 6.7310 7.6932 7.6932 7.6935 7.6935 10.0633 10.0633 10.0635 10.0635 k = 0.5000 0.5000 0.8439 ( 5608 PWs) bands (ev): -19.5518 -19.5518 -19.5518 -19.5518 -19.1198 -19.1198 -19.1198 -19.1198 -16.3518 -16.3518 -16.3518 -16.3518 -10.3314 -10.3314 -10.3314 -10.3314 -7.9872 -7.9872 -7.9872 -7.9872 -7.7999 -7.7999 -7.7999 -7.7999 -7.3898 -7.3898 -7.3898 -7.3898 -4.2683 -4.2683 -4.2683 -4.2683 -3.9062 -3.9062 -3.9062 -3.9062 -3.0466 -3.0466 -3.0466 -3.0466 0.3256 0.3256 0.3256 0.3256 0.5300 0.5300 0.5300 0.5300 0.7116 0.7116 0.7116 0.7116 2.6572 2.6572 2.6572 2.6572 6.7300 6.7300 6.7300 6.7300 7.6935 7.6935 7.6935 7.6935 10.0632 10.0632 10.0632 10.0632 k = 0.5000 0.5000 0.8439 ( 5608 PWs) bands (ev): -19.5518 -19.5518 -19.5518 -19.5518 -19.1198 -19.1198 -19.1198 -19.1198 -16.3518 -16.3518 -16.3518 -16.3518 -10.3314 -10.3314 -10.3314 -10.3314 -7.9872 -7.9872 -7.9872 -7.9872 -7.7999 -7.7999 -7.7999 -7.7999 -7.3898 -7.3898 -7.3898 -7.3898 -4.2683 -4.2683 -4.2683 -4.2683 -3.9062 -3.9062 -3.9062 -3.9062 -3.0466 -3.0466 -3.0466 -3.0466 0.3256 0.3256 0.3256 0.3256 0.5300 0.5300 0.5300 0.5300 0.7116 0.7116 0.7116 0.7116 2.6572 2.6572 2.6572 2.6572 6.7300 6.7300 6.7300 6.7300 7.6935 7.6935 7.6935 7.6935 10.0632 10.0632 10.0632 10.0632 k = 0.4861 0.4861 0.8439 ( 5594 PWs) bands (ev): -19.5519 -19.5519 -19.5517 -19.5517 -19.1198 -19.1198 -19.1198 -19.1198 -16.3518 -16.3518 -16.3518 -16.3518 -10.3312 -10.3312 -10.3310 -10.3310 -7.9875 -7.9875 -7.9872 -7.9872 -7.8008 -7.8007 -7.8003 -7.8002 -7.3897 -7.3897 -7.3892 -7.3890 -4.2680 -4.2680 -4.2678 -4.2676 -3.9075 -3.9069 -3.9059 -3.9056 -3.0473 -3.0471 -3.0457 -3.0451 0.3252 0.3256 0.3259 0.3261 0.5287 0.5290 0.5300 0.5305 0.7111 0.7112 0.7119 0.7120 2.6571 2.6572 2.6576 2.6577 6.7294 6.7297 6.7313 6.7321 7.6931 7.6934 7.6935 7.6935 10.0626 10.0629 10.0640 10.0641 k = 0.4722 0.4722 0.8439 ( 5580 PWs) bands (ev): -19.5521 -19.5521 -19.5516 -19.5516 -19.1197 -19.1197 -19.1197 -19.1197 -16.3519 -16.3519 -16.3519 -16.3519 -10.3308 -10.3307 -10.3299 -10.3299 -7.9885 -7.9884 -7.9873 -7.9873 -7.8033 -7.8032 -7.8016 -7.8014 -7.3897 -7.3896 -7.3876 -7.3872 -4.2672 -4.2672 -4.2661 -4.2656 -3.9098 -3.9086 -3.9056 -3.9051 -3.0479 -3.0478 -3.0441 -3.0428 0.3247 0.3255 0.3269 0.3273 0.5254 0.5262 0.5302 0.5314 0.7102 0.7104 0.7125 0.7126 2.6576 2.6578 2.6585 2.6588 6.7276 6.7282 6.7359 6.7376 7.6923 7.6930 7.6934 7.6934 10.0611 10.0616 10.0662 10.0664 k = 0.4583 0.4583 0.8439 ( 5568 PWs) bands (ev): -19.5526 -19.5526 -19.5514 -19.5514 -19.1196 -19.1196 -19.1195 -19.1195 -16.3520 -16.3520 -16.3519 -16.3519 -10.3301 -10.3300 -10.3281 -10.3281 -7.9900 -7.9899 -7.9874 -7.9874 -7.8074 -7.8072 -7.8037 -7.8033 -7.3896 -7.3895 -7.3849 -7.3843 -4.2658 -4.2657 -4.2633 -4.2626 -3.9133 -3.9115 -3.9051 -3.9045 -3.0486 -3.0486 -3.0415 -3.0394 0.3240 0.3252 0.3287 0.3293 0.5204 0.5216 0.5307 0.5326 0.7088 0.7092 0.7132 0.7133 2.6585 2.6587 2.6599 2.6603 6.7248 6.7257 6.7438 6.7462 7.6912 7.6922 7.6933 7.6933 10.0589 10.0597 10.0700 10.0703 k = 0.4444 0.4444 0.8439 ( 5564 PWs) bands (ev): -19.5532 -19.5532 -19.5511 -19.5511 -19.1194 -19.1194 -19.1193 -19.1193 -16.3521 -16.3521 -16.3519 -16.3519 -10.3290 -10.3289 -10.3256 -10.3256 -7.9922 -7.9920 -7.9877 -7.9877 -7.8131 -7.8128 -7.8065 -7.8061 -7.3895 -7.3893 -7.3812 -7.3805 -4.2638 -4.2638 -4.2594 -4.2585 -3.9178 -3.9155 -3.9045 -3.9037 -3.0498 -3.0496 -3.0379 -3.0351 0.3231 0.3247 0.3312 0.3320 0.5138 0.5154 0.5316 0.5341 0.7069 0.7075 0.7141 0.7142 2.6599 2.6602 2.6617 2.6623 6.7209 6.7221 6.7547 6.7579 7.6897 7.6910 7.6931 7.6932 10.0562 10.0572 10.0752 10.0757 k = 0.4306 0.4306 0.8439 ( 5556 PWs) bands (ev): -19.5540 -19.5540 -19.5507 -19.5507 -19.1192 -19.1192 -19.1190 -19.1190 -16.3522 -16.3522 -16.3520 -16.3520 -10.3277 -10.3275 -10.3224 -10.3224 -7.9949 -7.9948 -7.9880 -7.9879 -7.8202 -7.8199 -7.8101 -7.8096 -7.3894 -7.3891 -7.3767 -7.3757 -4.2613 -4.2613 -4.2544 -4.2534 -3.9231 -3.9205 -3.9036 -3.9027 -3.0511 -3.0508 -3.0335 -3.0300 0.3221 0.3240 0.3345 0.3354 0.5058 0.5078 0.5328 0.5358 0.7046 0.7053 0.7150 0.7151 2.6618 2.6621 2.6640 2.6647 6.7159 6.7175 6.7685 6.7725 7.6878 7.6894 7.6929 7.6929 10.0535 10.0547 10.0819 10.0825 k = 0.4167 0.4167 0.8439 ( 5552 PWs) bands (ev): -19.5549 -19.5549 -19.5502 -19.5502 -19.1190 -19.1189 -19.1186 -19.1186 -16.3524 -16.3524 -16.3521 -16.3521 -10.3261 -10.3259 -10.3186 -10.3185 -7.9983 -7.9980 -7.9884 -7.9883 -7.8286 -7.8282 -7.8145 -7.8139 -7.3892 -7.3889 -7.3713 -7.3702 -4.2584 -4.2583 -4.2484 -4.2474 -3.9291 -3.9263 -3.9026 -3.9015 -3.0527 -3.0523 -3.0284 -3.0243 0.3209 0.3232 0.3384 0.3395 0.4969 0.4992 0.5343 0.5379 0.7018 0.7026 0.7157 0.7158 2.6642 2.6644 2.6667 2.6676 6.7099 6.7118 6.7848 6.7895 7.6856 7.6874 7.6926 7.6927 10.0510 10.0524 10.0901 10.0907 k = 0.4028 0.4028 0.8439 ( 5544 PWs) bands (ev): -19.5560 -19.5560 -19.5497 -19.5497 -19.1187 -19.1186 -19.1182 -19.1182 -16.3526 -16.3526 -16.3522 -16.3522 -10.3242 -10.3240 -10.3140 -10.3140 -8.0021 -8.0018 -7.9888 -7.9888 -7.8381 -7.8377 -7.8195 -7.8188 -7.3890 -7.3887 -7.3653 -7.3641 -4.2549 -4.2548 -4.2416 -4.2407 -3.9355 -3.9327 -3.9014 -3.9002 -3.0546 -3.0540 -3.0229 -3.0183 0.3197 0.3223 0.3429 0.3443 0.4872 0.4898 0.5360 0.5401 0.6986 0.6996 0.7162 0.7164 2.6670 2.6672 2.6698 2.6709 6.7028 6.7050 6.8035 6.8088 7.6831 7.6851 7.6922 7.6923 10.0490 10.0507 10.0995 10.1002 k = 0.3889 0.3889 0.8439 ( 5532 PWs) bands (ev): -19.5572 -19.5572 -19.5491 -19.5491 -19.1183 -19.1183 -19.1178 -19.1178 -16.3528 -16.3528 -16.3523 -16.3523 -10.3220 -10.3218 -10.3089 -10.3088 -8.0064 -8.0061 -7.9893 -7.9892 -7.8486 -7.8482 -7.8252 -7.8244 -7.3888 -7.3884 -7.3587 -7.3574 -4.2511 -4.2510 -4.2340 -4.2334 -3.9420 -3.9394 -3.9000 -3.8986 -3.0566 -3.0560 -3.0171 -3.0122 0.3184 0.3213 0.3481 0.3496 0.4770 0.4800 0.5379 0.5425 0.6950 0.6962 0.7164 0.7165 2.6702 2.6703 2.6733 2.6746 6.6946 6.6972 6.8240 6.8299 7.6803 7.6825 7.6918 7.6919 10.0480 10.0499 10.1102 10.1110 k = 0.3750 0.3750 0.8439 ( 5532 PWs) bands (ev): -19.5586 -19.5586 -19.5485 -19.5484 -19.1180 -19.1179 -19.1173 -19.1173 -16.3530 -16.3530 -16.3525 -16.3525 -10.3196 -10.3194 -10.3031 -10.3030 -8.0113 -8.0109 -7.9898 -7.9898 -7.8600 -7.8596 -7.8315 -7.8306 -7.3885 -7.3881 -7.3518 -7.3504 -4.2469 -4.2467 -4.2258 -4.2256 -3.9484 -3.9463 -3.8985 -3.8969 -3.0588 -3.0581 -3.0114 -3.0062 0.3171 0.3202 0.3538 0.3556 0.4668 0.4700 0.5400 0.5450 0.6912 0.6924 0.7162 0.7164 2.6738 2.6738 2.6771 2.6786 6.6853 6.6882 6.8460 6.8525 7.6773 7.6796 7.6912 7.6913 10.0481 10.0502 10.1221 10.1230 k = 0.3611 0.3611 0.8439 ( 5540 PWs) bands (ev): -19.5601 -19.5601 -19.5477 -19.5477 -19.1176 -19.1175 -19.1168 -19.1168 -16.3533 -16.3533 -16.3527 -16.3527 -10.3170 -10.3167 -10.2968 -10.2967 -8.0165 -8.0162 -7.9905 -7.9904 -7.8722 -7.8718 -7.8384 -7.8374 -7.3883 -7.3879 -7.3446 -7.3431 -4.2424 -4.2421 -4.2176 -4.2173 -3.9543 -3.9530 -3.8968 -3.8951 -3.0612 -3.0603 -3.0060 -3.0005 0.3158 0.3191 0.3600 0.3621 0.4567 0.4602 0.5422 0.5477 0.6870 0.6884 0.7156 0.7157 2.6776 2.6777 2.6813 2.6829 6.6750 6.6783 6.8691 6.8760 7.6741 7.6764 7.6906 7.6907 10.0496 10.0519 10.1351 10.1360 k = 0.3472 0.3472 0.8439 ( 5548 PWs) bands (ev): -19.5617 -19.5617 -19.5470 -19.5470 -19.1171 -19.1171 -19.1162 -19.1162 -16.3536 -16.3536 -16.3529 -16.3529 -10.3141 -10.3138 -10.2899 -10.2898 -8.0221 -8.0218 -7.9911 -7.9911 -7.8850 -7.8846 -7.8457 -7.8447 -7.3880 -7.3876 -7.3372 -7.3356 -4.2376 -4.2372 -4.2096 -4.2085 -3.9595 -3.9594 -3.8950 -3.8931 -3.0638 -3.0627 -3.0010 -2.9954 0.3146 0.3180 0.3668 0.3691 0.4471 0.4508 0.5445 0.5504 0.6826 0.6841 0.7145 0.7147 2.6817 2.6819 2.6857 2.6876 6.6637 6.6673 6.8928 6.9001 7.6708 7.6731 7.6898 7.6900 10.0526 10.0551 10.1491 10.1501 k = 0.3333 0.3333 0.8439 ( 5540 PWs) bands (ev): -19.5634 -19.5634 -19.5462 -19.5461 -19.1166 -19.1166 -19.1156 -19.1156 -16.3539 -16.3539 -16.3531 -16.3531 -10.3110 -10.3106 -10.2825 -10.2825 -8.0281 -8.0277 -7.9918 -7.9918 -7.8983 -7.8979 -7.8534 -7.8524 -7.3877 -7.3872 -7.3296 -7.3280 -4.2326 -4.2321 -4.2018 -4.1997 -3.9650 -3.9637 -3.8931 -3.8910 -3.0664 -3.0652 -2.9967 -2.9911 0.3134 0.3169 0.3739 0.3765 0.4382 0.4422 0.5468 0.5531 0.6781 0.6797 0.7130 0.7132 2.6861 2.6865 2.6904 2.6924 6.6513 6.6552 6.9167 6.9243 7.6675 7.6697 7.6890 7.6891 10.0572 10.0599 10.1640 10.1650 k = 0.3194 0.3194 0.8439 ( 5536 PWs) bands (ev): -19.5652 -19.5652 -19.5453 -19.5453 -19.1161 -19.1161 -19.1150 -19.1150 -16.3542 -16.3542 -16.3534 -16.3534 -10.3077 -10.3073 -10.2747 -10.2747 -8.0343 -8.0339 -7.9925 -7.9925 -7.9120 -7.9116 -7.8616 -7.8605 -7.3874 -7.3869 -7.3221 -7.3204 -4.2274 -4.2268 -4.1945 -4.1911 -3.9697 -3.9666 -3.8910 -3.8889 -3.0691 -3.0678 -2.9932 -2.9877 0.3124 0.3160 0.3813 0.3843 0.4303 0.4344 0.5492 0.5559 0.6733 0.6750 0.7110 0.7114 2.6907 2.6913 2.6953 2.6975 6.6378 6.6421 6.9404 6.9482 7.6642 7.6663 7.6880 7.6882 10.0634 10.0663 10.1796 10.1807 k = 0.3056 0.3056 0.8439 ( 5536 PWs) bands (ev): -19.5671 -19.5671 -19.5444 -19.5444 -19.1156 -19.1155 -19.1143 -19.1143 -16.3546 -16.3546 -16.3536 -16.3536 -10.3042 -10.3038 -10.2665 -10.2665 -8.0407 -8.0403 -7.9933 -7.9932 -7.9261 -7.9256 -7.8699 -7.8688 -7.3871 -7.3866 -7.3146 -7.3128 -4.2222 -4.2213 -4.1878 -4.1829 -3.9731 -3.9680 -3.8889 -3.8866 -3.0719 -3.0704 -2.9908 -2.9853 0.3114 0.3150 0.3890 0.3923 0.4236 0.4278 0.5516 0.5586 0.6685 0.6703 0.7086 0.7091 2.6954 2.6962 2.7004 2.7028 6.6234 6.6280 6.9635 6.9714 7.6611 7.6630 7.6869 7.6871 10.0712 10.0743 10.1959 10.1970 k = 0.2917 0.2917 0.8439 ( 5546 PWs) bands (ev): -19.5690 -19.5690 -19.5435 -19.5435 -19.1150 -19.1150 -19.1136 -19.1136 -16.3549 -16.3549 -16.3539 -16.3539 -10.3006 -10.3002 -10.2580 -10.2579 -8.0473 -8.0469 -7.9941 -7.9940 -7.9403 -7.9399 -7.8786 -7.8775 -7.3868 -7.3863 -7.3072 -7.3054 -4.2169 -4.2158 -4.1819 -4.1755 -3.9751 -3.9678 -3.8867 -3.8843 -3.0746 -3.0730 -2.9894 -2.9841 0.3106 0.3142 0.3965 0.4004 0.4185 0.4227 0.5539 0.5612 0.6637 0.6655 0.7058 0.7064 2.7004 2.7014 2.7056 2.7082 6.6080 6.6129 6.9855 6.9935 7.6581 7.6598 7.6857 7.6859 10.0804 10.0837 10.2128 10.2139 k = 0.2778 0.2778 0.8439 ( 5542 PWs) bands (ev): -19.5710 -19.5710 -19.5426 -19.5426 -19.1144 -19.1144 -19.1129 -19.1129 -16.3553 -16.3553 -16.3542 -16.3542 -10.2968 -10.2964 -10.2491 -10.2490 -8.0540 -8.0536 -7.9949 -7.9948 -7.9547 -7.9542 -7.8874 -7.8862 -7.3865 -7.3860 -7.2999 -7.2982 -4.2116 -4.2103 -4.1770 -4.1689 -3.9755 -3.9658 -3.8844 -3.8819 -3.0774 -3.0756 -2.9893 -2.9841 0.3098 0.3135 0.4030 0.4079 0.4160 0.4197 0.5561 0.5638 0.6588 0.6607 0.7026 0.7033 2.7054 2.7067 2.7110 2.7137 6.5916 6.5968 7.0063 7.0142 7.6555 7.6568 7.6844 7.6845 10.0909 10.0943 10.2300 10.2311 k = 0.2639 0.2639 0.8439 ( 5538 PWs) bands (ev): -19.5730 -19.5730 -19.5417 -19.5416 -19.1138 -19.1138 -19.1122 -19.1122 -16.3557 -16.3556 -16.3546 -16.3546 -10.2930 -10.2926 -10.2400 -10.2400 -8.0608 -8.0604 -7.9957 -7.9956 -7.9690 -7.9686 -7.8963 -7.8951 -7.3862 -7.3856 -7.2928 -7.2911 -4.2064 -4.2047 -4.1728 -4.1633 -3.9742 -3.9622 -3.8821 -3.8795 -3.0802 -3.0782 -2.9904 -2.9855 0.3093 0.3129 0.4059 0.4119 0.4189 0.4220 0.5583 0.5662 0.6539 0.6559 0.6991 0.6999 2.7106 2.7121 2.7164 2.7192 6.5744 6.5798 7.0254 7.0332 7.6532 7.6542 7.6830 7.6831 10.1024 10.1060 10.2475 10.2486 k = 0.2500 0.2500 0.8439 ( 5532 PWs) bands (ev): -19.5750 -19.5750 -19.5407 -19.5407 -19.1132 -19.1131 -19.1114 -19.1114 -16.3560 -16.3560 -16.3549 -16.3549 -10.2890 -10.2886 -10.2308 -10.2307 -8.0676 -8.0672 -7.9965 -7.9964 -7.9833 -7.9829 -7.9052 -7.9040 -7.3858 -7.3853 -7.2860 -7.2843 -4.2015 -4.1993 -4.1695 -4.1588 -3.9712 -3.9570 -3.8798 -3.8771 -3.0829 -3.0807 -2.9927 -2.9881 0.3088 0.3124 0.4062 0.4123 0.4259 0.4294 0.5603 0.5685 0.6491 0.6511 0.6953 0.6962 2.7158 2.7175 2.7218 2.7248 6.5563 6.5619 7.0428 7.0504 7.6513 7.6520 7.6815 7.6816 10.1146 10.1184 10.2651 10.2662 k = 0.2361 0.2361 0.8439 ( 5534 PWs) bands (ev): -19.5770 -19.5770 -19.5398 -19.5398 -19.1125 -19.1125 -19.1107 -19.1107 -16.3564 -16.3564 -16.3553 -16.3553 -10.2851 -10.2847 -10.2214 -10.2213 -8.0744 -8.0740 -7.9984 -7.9977 -7.9967 -7.9965 -7.9141 -7.9129 -7.3855 -7.3850 -7.2795 -7.2778 -4.1967 -4.1939 -4.1667 -4.1552 -3.9667 -3.9505 -3.8775 -3.8747 -3.0855 -3.0831 -2.9963 -2.9919 0.3085 0.3120 0.4070 0.4132 0.4341 0.4381 0.5622 0.5707 0.6443 0.6464 0.6911 0.6922 2.7210 2.7229 2.7273 2.7303 6.5375 6.5433 7.0582 7.0656 7.6499 7.6501 7.6799 7.6800 10.1273 10.1312 10.2827 10.2838 k = 0.2222 0.2222 0.8439 ( 5532 PWs) bands (ev): -19.5790 -19.5790 -19.5389 -19.5389 -19.1119 -19.1118 -19.1100 -19.1100 -16.3568 -16.3567 -16.3557 -16.3557 -10.2811 -10.2807 -10.2120 -10.2119 -8.0812 -8.0808 -8.0116 -8.0111 -7.9980 -7.9980 -7.9228 -7.9217 -7.3852 -7.3847 -7.2732 -7.2715 -4.1923 -4.1887 -4.1643 -4.1524 -3.9608 -3.9429 -3.8752 -3.8724 -3.0881 -3.0854 -3.0010 -2.9969 0.3083 0.3117 0.4090 0.4153 0.4426 0.4470 0.5639 0.5726 0.6397 0.6418 0.6866 0.6880 2.7262 2.7284 2.7326 2.7358 6.5181 6.5240 7.0717 7.0787 7.6488 7.6489 7.6783 7.6783 10.1402 10.1441 10.3002 10.3012 k = 0.2083 0.2083 0.8439 ( 5540 PWs) bands (ev): -19.5809 -19.5809 -19.5380 -19.5380 -19.1112 -19.1112 -19.1093 -19.1093 -16.3571 -16.3571 -16.3561 -16.3561 -10.2771 -10.2767 -10.2027 -10.2026 -8.0877 -8.0874 -8.0252 -8.0248 -7.9989 -7.9989 -7.9314 -7.9303 -7.3849 -7.3844 -7.2673 -7.2657 -4.1882 -4.1838 -4.1620 -4.1503 -3.9538 -3.9346 -3.8729 -3.8701 -3.0906 -3.0876 -3.0068 -3.0029 0.3083 0.3115 0.4123 0.4189 0.4512 0.4559 0.5655 0.5744 0.6352 0.6374 0.6819 0.6835 2.7313 2.7337 2.7379 2.7412 6.4981 6.5042 7.0832 7.0898 7.6479 7.6484 7.6765 7.6766 10.1532 10.1571 10.3174 10.3184 k = 0.1944 0.1944 0.8439 ( 5540 PWs) bands (ev): -19.5828 -19.5828 -19.5372 -19.5371 -19.1106 -19.1106 -19.1086 -19.1086 -16.3575 -16.3575 -16.3565 -16.3565 -10.2732 -10.2728 -10.1934 -10.1934 -8.0941 -8.0938 -8.0385 -8.0381 -7.9997 -7.9996 -7.9398 -7.9387 -7.3846 -7.3842 -7.2616 -7.2601 -4.1845 -4.1791 -4.1598 -4.1486 -3.9460 -3.9259 -3.8707 -3.8678 -3.0929 -3.0897 -3.0135 -3.0098 0.3083 0.3114 0.4171 0.4238 0.4597 0.4648 0.5668 0.5759 0.6309 0.6330 0.6769 0.6787 2.7364 2.7390 2.7431 2.7464 6.4779 6.4840 7.0928 7.0990 7.6474 7.6482 7.6747 7.6748 10.1660 10.1699 10.3342 10.3352 k = 0.1806 0.1806 0.8439 ( 5544 PWs) bands (ev): -19.5847 -19.5847 -19.5363 -19.5363 -19.1100 -19.1099 -19.1079 -19.1079 -16.3578 -16.3578 -16.3569 -16.3569 -10.2693 -10.2689 -10.1844 -10.1843 -8.1003 -8.0999 -8.0512 -8.0508 -8.0005 -8.0005 -7.9479 -7.9469 -7.3844 -7.3839 -7.2564 -7.2549 -4.1813 -4.1746 -4.1574 -4.1472 -3.9377 -3.9170 -3.8686 -3.8657 -3.0952 -3.0917 -3.0210 -3.0175 0.3085 0.3114 0.4231 0.4300 0.4682 0.4735 0.5680 0.5772 0.6267 0.6289 0.6716 0.6737 2.7413 2.7442 2.7480 2.7515 6.4576 6.4635 7.1006 7.1063 7.6473 7.6485 7.6730 7.6731 10.1788 10.1825 10.3505 10.3515 k = 0.1667 0.1667 0.8439 ( 5544 PWs) bands (ev): -19.5864 -19.5864 -19.5355 -19.5355 -19.1094 -19.1093 -19.1073 -19.1073 -16.3582 -16.3581 -16.3573 -16.3573 -10.2656 -10.2652 -10.1756 -10.1755 -8.1062 -8.1058 -8.0634 -8.0630 -8.0013 -8.0013 -7.9556 -7.9546 -7.3841 -7.3837 -7.2515 -7.2501 -4.1783 -4.1705 -4.1549 -4.1460 -3.9291 -3.9082 -3.8665 -3.8637 -3.0974 -3.0935 -3.0291 -3.0256 0.3087 0.3115 0.4303 0.4374 0.4764 0.4820 0.5689 0.5783 0.6228 0.6250 0.6661 0.6684 2.7461 2.7492 2.7528 2.7563 6.4373 6.4432 7.1069 7.1121 7.6475 7.6490 7.6712 7.6714 10.1916 10.1951 10.3662 10.3671 k = 0.1528 0.1528 0.8439 ( 5548 PWs) bands (ev): -19.5881 -19.5881 -19.5348 -19.5348 -19.1088 -19.1087 -19.1067 -19.1067 -16.3585 -16.3584 -16.3577 -16.3577 -10.2620 -10.2617 -10.1671 -10.1671 -8.1118 -8.1115 -8.0750 -8.0747 -8.0021 -8.0020 -7.9629 -7.9620 -7.3838 -7.3834 -7.2470 -7.2456 -4.1756 -4.1668 -4.1523 -4.1447 -3.9205 -3.8996 -3.8645 -3.8617 -3.0995 -3.0952 -3.0376 -3.0341 0.3090 0.3116 0.4386 0.4458 0.4844 0.4903 0.5695 0.5791 0.6190 0.6212 0.6603 0.6629 2.7507 2.7539 2.7574 2.7609 6.4173 6.4230 7.1117 7.1164 7.6480 7.6497 7.6695 7.6697 10.2045 10.2078 10.3812 10.3820 k = 0.1389 0.1389 0.8439 ( 5548 PWs) bands (ev): -19.5897 -19.5897 -19.5341 -19.5341 -19.1082 -19.1082 -19.1061 -19.1061 -16.3588 -16.3587 -16.3581 -16.3581 -10.2586 -10.2583 -10.1591 -10.1590 -8.1171 -8.1167 -8.0859 -8.0855 -8.0028 -8.0027 -7.9697 -7.9689 -7.3836 -7.3832 -7.2428 -7.2416 -4.1731 -4.1635 -4.1496 -4.1434 -3.9120 -3.8916 -3.8626 -3.8600 -3.1016 -3.0967 -3.0463 -3.0427 0.3094 0.3118 0.4477 0.4550 0.4922 0.4983 0.5699 0.5795 0.6155 0.6177 0.6543 0.6571 2.7552 2.7584 2.7618 2.7653 6.3979 6.4033 7.1153 7.1196 7.6487 7.6506 7.6678 7.6681 10.2177 10.2208 10.3953 10.3961 k = 0.1250 0.1250 0.8439 ( 5544 PWs) bands (ev): -19.5911 -19.5911 -19.5335 -19.5334 -19.1077 -19.1076 -19.1056 -19.1056 -16.3591 -16.3590 -16.3585 -16.3584 -10.2554 -10.2551 -10.1515 -10.1515 -8.1219 -8.1216 -8.0960 -8.0956 -8.0035 -8.0034 -7.9759 -7.9752 -7.3834 -7.3830 -7.2390 -7.2379 -4.1707 -4.1606 -4.1469 -4.1421 -3.9039 -3.8843 -3.8607 -3.8583 -3.1035 -3.0982 -3.0549 -3.0511 0.3098 0.3120 0.4575 0.4650 0.4996 0.5059 0.5701 0.5797 0.6123 0.6145 0.6481 0.6511 2.7593 2.7625 2.7659 2.7693 6.3793 6.3844 7.1179 7.1217 7.6495 7.6515 7.6663 7.6667 10.2313 10.2341 10.4085 10.4092 k = 0.1111 0.1111 0.8439 ( 5544 PWs) bands (ev): -19.5925 -19.5925 -19.5329 -19.5329 -19.1072 -19.1072 -19.1051 -19.1051 -16.3593 -16.3593 -16.3588 -16.3588 -10.2525 -10.2522 -10.1445 -10.1445 -8.1265 -8.1262 -8.1051 -8.1048 -8.0042 -8.0041 -7.9816 -7.9810 -7.3832 -7.3829 -7.2356 -7.2346 -4.1683 -4.1582 -4.1444 -4.1406 -3.8962 -3.8779 -3.8588 -3.8567 -3.1055 -3.0996 -3.0633 -3.0591 0.3102 0.3122 0.4678 0.4755 0.5067 0.5131 0.5700 0.5796 0.6093 0.6116 0.6415 0.6447 2.7632 2.7663 2.7697 2.7730 6.3617 6.3665 7.1197 7.1231 7.6503 7.6523 7.6649 7.6654 10.2455 10.2479 10.4206 10.4212 k = 0.0972 0.0972 0.8439 ( 5548 PWs) bands (ev): -19.5937 -19.5937 -19.5323 -19.5323 -19.1067 -19.1067 -19.1046 -19.1046 -16.3596 -16.3595 -16.3591 -16.3591 -10.2498 -10.2495 -10.1382 -10.1382 -8.1306 -8.1303 -8.1133 -8.1131 -8.0050 -8.0049 -7.9867 -7.9861 -7.3830 -7.3827 -7.2326 -7.2317 -4.1659 -4.1562 -4.1420 -4.1391 -3.8891 -3.8724 -3.8569 -3.8553 -3.1074 -3.1011 -3.0711 -3.0665 0.3106 0.3124 0.4785 0.4863 0.5135 0.5198 0.5697 0.5792 0.6066 0.6089 0.6348 0.6380 2.7667 2.7696 2.7733 2.7763 6.3456 6.3499 7.1209 7.1238 7.6510 7.6530 7.6637 7.6642 10.2601 10.2622 10.4316 10.4321 k = 0.0833 0.0833 0.8439 ( 5548 PWs) bands (ev): -19.5947 -19.5947 -19.5319 -19.5319 -19.1063 -19.1063 -19.1042 -19.1042 -16.3598 -16.3597 -16.3594 -16.3593 -10.2474 -10.2472 -10.1326 -10.1326 -8.1343 -8.1341 -8.1205 -8.1202 -8.0058 -8.0056 -7.9910 -7.9905 -7.3829 -7.3826 -7.2299 -7.2292 -4.1636 -4.1546 -4.1399 -4.1377 -3.8827 -3.8682 -3.8549 -3.8540 -3.1094 -3.1027 -3.0780 -3.0731 0.3111 0.3126 0.4892 0.4972 0.5198 0.5259 0.5693 0.5784 0.6042 0.6066 0.6279 0.6311 2.7699 2.7725 2.7765 2.7792 6.3310 6.3348 7.1216 7.1241 7.6517 7.6536 7.6628 7.6633 10.2753 10.2770 10.4413 10.4417 k = 0.0694 0.0694 0.8439 ( 5548 PWs) bands (ev): -19.5956 -19.5956 -19.5315 -19.5315 -19.1060 -19.1060 -19.1039 -19.1039 -16.3600 -16.3599 -16.3596 -16.3596 -10.2453 -10.2451 -10.1277 -10.1277 -8.1377 -8.1375 -8.1265 -8.1263 -8.0066 -8.0064 -7.9945 -7.9942 -7.3827 -7.3825 -7.2277 -7.2270 -4.1614 -4.1534 -4.1380 -4.1363 -3.8770 -3.8651 -3.8529 -3.8527 -3.1112 -3.1045 -3.0836 -3.0786 0.3115 0.3127 0.4999 0.5080 0.5258 0.5314 0.5687 0.5773 0.6019 0.6046 0.6210 0.6239 2.7727 2.7750 2.7794 2.7816 6.3182 6.3215 7.1220 7.1241 7.6522 7.6539 7.6621 7.6626 10.2907 10.2921 10.4497 10.4500 k = 0.0556 0.0556 0.8439 ( 5550 PWs) bands (ev): -19.5964 -19.5964 -19.5312 -19.5312 -19.1057 -19.1057 -19.1036 -19.1036 -16.3601 -16.3601 -16.3598 -16.3598 -10.2436 -10.2435 -10.1236 -10.1236 -8.1406 -8.1404 -8.1313 -8.1311 -8.0075 -8.0073 -7.9972 -7.9970 -7.3826 -7.3824 -7.2258 -7.2253 -4.1593 -4.1526 -4.1364 -4.1351 -3.8722 -3.8630 -3.8516 -3.8510 -3.1130 -3.1068 -3.0879 -3.0832 0.3118 0.3129 0.5101 0.5183 0.5313 0.5360 0.5681 0.5760 0.5998 0.6030 0.6142 0.6166 2.7750 2.7769 2.7818 2.7837 6.3075 6.3102 7.1222 7.1238 7.6526 7.6540 7.6618 7.6621 10.3061 10.3071 10.4567 10.4569 k = 0.0417 0.0417 0.8439 ( 5558 PWs) bands (ev): -19.5970 -19.5970 -19.5309 -19.5309 -19.1055 -19.1054 -19.1034 -19.1034 -16.3602 -16.3602 -16.3599 -16.3599 -10.2423 -10.2421 -10.1204 -10.1204 -8.1432 -8.1430 -8.1349 -8.1347 -8.0084 -8.0082 -7.9991 -7.9990 -7.3825 -7.3824 -7.2244 -7.2240 -4.1574 -4.1522 -4.1351 -4.1342 -3.8684 -3.8618 -3.8505 -3.8495 -3.1144 -3.1093 -3.0906 -3.0867 0.3121 0.3129 0.5196 0.5278 0.5363 0.5394 0.5679 0.5745 0.5976 0.6017 0.6083 0.6092 2.7769 2.7784 2.7838 2.7852 6.2991 6.3011 7.1223 7.1235 7.6528 7.6539 7.6616 7.6618 10.3208 10.3214 10.4622 10.4623 k = 0.0278 0.0278 0.8439 ( 5562 PWs) bands (ev): -19.5974 -19.5974 -19.5307 -19.5307 -19.1053 -19.1053 -19.1032 -19.1032 -16.3603 -16.3603 -16.3600 -16.3600 -10.2413 -10.2412 -10.1181 -10.1181 -8.1451 -8.1451 -8.1373 -8.1372 -8.0092 -8.0090 -8.0003 -8.0002 -7.3824 -7.3823 -7.2233 -7.2231 -4.1557 -4.1522 -4.1341 -4.1335 -3.8654 -3.8613 -3.8494 -3.8484 -3.1154 -3.1118 -3.0920 -3.0893 0.3124 0.3129 0.5278 0.5358 0.5407 0.5414 0.5682 0.5728 0.5949 0.6007 0.6024 0.6040 2.7784 2.7794 2.7853 2.7863 6.2930 6.2944 7.1224 7.1232 7.6530 7.6537 7.6615 7.6617 10.3336 10.3339 10.4660 10.4661 k = 0.0139 0.0139 0.8439 ( 5560 PWs) bands (ev): -19.5977 -19.5977 -19.5306 -19.5306 -19.1052 -19.1052 -19.1032 -19.1032 -16.3604 -16.3604 -16.3601 -16.3601 -10.2407 -10.2406 -10.1167 -10.1167 -8.1464 -8.1464 -8.1386 -8.1386 -8.0097 -8.0096 -8.0009 -8.0009 -7.3824 -7.3823 -7.2227 -7.2225 -4.1543 -4.1526 -4.1335 -4.1332 -3.8633 -3.8613 -3.8486 -3.8480 -3.1157 -3.1139 -3.0924 -3.0911 0.3126 0.3129 0.5343 0.5401 0.5428 0.5439 0.5691 0.5714 0.5926 0.5964 0.6005 0.6016 2.7794 2.7799 2.7863 2.7868 6.2895 6.2902 7.1225 7.1229 7.6531 7.6535 7.6615 7.6616 10.3428 10.3428 10.4676 10.4681 k = 0.0000 0.0000 0.8439 ( 5576 PWs) bands (ev): -19.5977 -19.5977 -19.5306 -19.5306 -19.1052 -19.1052 -19.1032 -19.1032 -16.3604 -16.3604 -16.3601 -16.3601 -10.2404 -10.2404 -10.1162 -10.1162 -8.1468 -8.1468 -8.1391 -8.1391 -8.0099 -8.0099 -8.0012 -8.0012 -7.3824 -7.3824 -7.2224 -7.2224 -4.1533 -4.1533 -4.1331 -4.1331 -3.8620 -3.8620 -3.8480 -3.8480 -3.1152 -3.1152 -3.0921 -3.0921 0.3128 0.3128 0.5385 0.5385 0.5448 0.5448 0.5701 0.5701 0.5928 0.5928 0.6007 0.6007 2.7799 2.7799 2.7868 2.7868 6.2885 6.2885 7.1226 7.1226 7.6533 7.6533 7.6616 7.6616 10.3462 10.3462 10.4675 10.4676 k = 0.0000 0.5000-0.0000 ( 5550 PWs) bands (ev): -19.6905 -19.6905 -19.6904 -19.6904 -19.1283 -19.1283 -19.1282 -19.1282 -16.3962 -16.3962 -16.3961 -16.3961 -9.8570 -9.8570 -9.8566 -9.8566 -8.0868 -8.0868 -8.0866 -8.0866 -8.0185 -8.0185 -8.0178 -8.0178 -6.9816 -6.9816 -6.9809 -6.9809 -3.9495 -3.9495 -3.9287 -3.9287 -3.6797 -3.6797 -3.6696 -3.6696 -3.0515 -3.0515 -3.0165 -3.0165 -0.0564 -0.0564 -0.0555 -0.0555 0.3159 0.3159 0.3174 0.3174 0.7955 0.7955 0.7984 0.7984 3.0252 3.0252 3.0293 3.0293 6.0685 6.0685 6.0753 6.0753 6.7304 6.7304 6.7358 6.7358 9.3428 9.3428 9.3441 9.3441 k = 0.0000 0.5000 0.0201 ( 5542 PWs) bands (ev): -19.6903 -19.6903 -19.6902 -19.6902 -19.1283 -19.1283 -19.1281 -19.1281 -16.3962 -16.3962 -16.3960 -16.3960 -9.8576 -9.8576 -9.8572 -9.8572 -8.0870 -8.0870 -8.0864 -8.0864 -8.0184 -8.0184 -8.0175 -8.0175 -6.9821 -6.9821 -6.9814 -6.9814 -3.9498 -3.9498 -3.9290 -3.9290 -3.6802 -3.6802 -3.6701 -3.6701 -3.0516 -3.0516 -3.0166 -3.0166 -0.0552 -0.0552 -0.0542 -0.0542 0.3160 0.3160 0.3176 0.3176 0.7949 0.7949 0.7979 0.7979 3.0248 3.0248 3.0289 3.0289 6.0706 6.0706 6.0774 6.0774 6.7304 6.7304 6.7359 6.7359 9.3438 9.3438 9.3451 9.3451 k = 0.0000 0.5000 0.0402 ( 5538 PWs) bands (ev): -19.6898 -19.6898 -19.6897 -19.6897 -19.1282 -19.1282 -19.1280 -19.1280 -16.3960 -16.3960 -16.3959 -16.3959 -9.8593 -9.8593 -9.8590 -9.8590 -8.0873 -8.0873 -8.0862 -8.0862 -8.0180 -8.0180 -8.0167 -8.0167 -6.9836 -6.9836 -6.9829 -6.9829 -3.9508 -3.9508 -3.9299 -3.9299 -3.6816 -3.6816 -3.6715 -3.6715 -3.0518 -3.0518 -3.0169 -3.0169 -0.0515 -0.0515 -0.0505 -0.0505 0.3164 0.3164 0.3180 0.3180 0.7932 0.7932 0.7961 0.7961 3.0235 3.0235 3.0277 3.0277 6.0770 6.0770 6.0839 6.0839 6.7306 6.7306 6.7361 6.7361 9.3468 9.3468 9.3482 9.3482 k = 0.0000 0.5000 0.0603 ( 5536 PWs) bands (ev): -19.6890 -19.6890 -19.6889 -19.6889 -19.1280 -19.1280 -19.1279 -19.1279 -16.3957 -16.3957 -16.3956 -16.3956 -9.8622 -9.8622 -9.8619 -9.8619 -8.0876 -8.0876 -8.0859 -8.0859 -8.0172 -8.0172 -8.0155 -8.0155 -6.9862 -6.9862 -6.9855 -6.9855 -3.9523 -3.9523 -3.9314 -3.9314 -3.6839 -3.6839 -3.6738 -3.6738 -3.0522 -3.0522 -3.0174 -3.0174 -0.0453 -0.0453 -0.0443 -0.0443 0.3171 0.3171 0.3186 0.3186 0.7903 0.7903 0.7932 0.7932 3.0214 3.0214 3.0255 3.0255 6.0876 6.0876 6.0946 6.0946 6.7310 6.7310 6.7364 6.7364 9.3518 9.3518 9.3533 9.3533 k = 0.0000 0.5000 0.0804 ( 5548 PWs) bands (ev): -19.6878 -19.6878 -19.6877 -19.6877 -19.1278 -19.1278 -19.1277 -19.1277 -16.3953 -16.3953 -16.3952 -16.3952 -9.8662 -9.8662 -9.8659 -9.8659 -8.0879 -8.0879 -8.0857 -8.0857 -8.0161 -8.0161 -8.0139 -8.0139 -6.9897 -6.9897 -6.9890 -6.9890 -3.9544 -3.9544 -3.9336 -3.9336 -3.6872 -3.6872 -3.6770 -3.6770 -3.0527 -3.0527 -3.0180 -3.0180 -0.0369 -0.0369 -0.0358 -0.0358 0.3180 0.3180 0.3195 0.3195 0.7863 0.7863 0.7893 0.7893 3.0184 3.0184 3.0226 3.0226 6.1024 6.1024 6.1095 6.1095 6.7315 6.7315 6.7370 6.7370 9.3588 9.3588 9.3603 9.3603 k = 0.0000 0.5000 0.1005 ( 5548 PWs) bands (ev): -19.6863 -19.6863 -19.6862 -19.6862 -19.1275 -19.1275 -19.1274 -19.1274 -16.3948 -16.3948 -16.3947 -16.3947 -9.8714 -9.8714 -9.8710 -9.8710 -8.0882 -8.0882 -8.0855 -8.0855 -8.0146 -8.0146 -8.0120 -8.0120 -6.9943 -6.9943 -6.9936 -6.9936 -3.9571 -3.9571 -3.9363 -3.9363 -3.6913 -3.6913 -3.6810 -3.6810 -3.0532 -3.0532 -3.0187 -3.0187 -0.0262 -0.0262 -0.0249 -0.0249 0.3192 0.3192 0.3207 0.3207 0.7812 0.7812 0.7842 0.7842 3.0146 3.0146 3.0188 3.0188 6.1212 6.1212 6.1284 6.1284 6.7323 6.7323 6.7377 6.7377 9.3677 9.3677 9.3694 9.3694 k = 0.0000 0.5000 0.1206 ( 5552 PWs) bands (ev): -19.6844 -19.6844 -19.6843 -19.6843 -19.1272 -19.1272 -19.1271 -19.1271 -16.3942 -16.3942 -16.3941 -16.3941 -9.8776 -9.8776 -9.8772 -9.8772 -8.0884 -8.0884 -8.0854 -8.0854 -8.0128 -8.0128 -8.0098 -8.0098 -6.9997 -6.9997 -6.9990 -6.9990 -3.9604 -3.9604 -3.9396 -3.9396 -3.6963 -3.6963 -3.6859 -3.6859 -3.0539 -3.0539 -3.0196 -3.0196 -0.0133 -0.0133 -0.0120 -0.0120 0.3207 0.3207 0.3222 0.3222 0.7751 0.7751 0.7782 0.7782 3.0099 3.0099 3.0143 3.0143 6.1439 6.1439 6.1514 6.1514 6.7332 6.7332 6.7386 6.7386 9.3786 9.3786 9.3803 9.3803 k = 0.0000 0.5000 0.1407 ( 5552 PWs) bands (ev): -19.6822 -19.6822 -19.6821 -19.6821 -19.1268 -19.1268 -19.1267 -19.1267 -16.3935 -16.3935 -16.3933 -16.3933 -9.8848 -9.8848 -9.8845 -9.8845 -8.0886 -8.0886 -8.0852 -8.0852 -8.0106 -8.0106 -8.0073 -8.0073 -7.0061 -7.0061 -7.0054 -7.0054 -3.9642 -3.9642 -3.9435 -3.9435 -3.7021 -3.7021 -3.6917 -3.6917 -3.0545 -3.0545 -3.0204 -3.0204 0.0015 0.0015 0.0029 0.0029 0.3224 0.3224 0.3239 0.3239 0.7681 0.7681 0.7713 0.7713 3.0045 3.0045 3.0089 3.0089 6.1704 6.1704 6.1781 6.1781 6.7345 6.7345 6.7398 6.7398 9.3912 9.3912 9.3931 9.3931 k = 0.0000 0.5000 0.1608 ( 5544 PWs) bands (ev): -19.6798 -19.6798 -19.6797 -19.6797 -19.1264 -19.1264 -19.1263 -19.1263 -16.3926 -16.3926 -16.3925 -16.3925 -9.8931 -9.8931 -9.8927 -9.8927 -8.0887 -8.0887 -8.0850 -8.0850 -8.0080 -8.0080 -8.0045 -8.0045 -7.0134 -7.0134 -7.0127 -7.0127 -3.9686 -3.9686 -3.9479 -3.9479 -3.7087 -3.7087 -3.6982 -3.6982 -3.0550 -3.0550 -3.0213 -3.0213 0.0180 0.0180 0.0197 0.0197 0.3244 0.3244 0.3259 0.3259 0.7603 0.7603 0.7635 0.7635 2.9984 2.9984 3.0029 3.0029 6.2005 6.2005 6.2085 6.2085 6.7360 6.7360 6.7413 6.7413 9.4057 9.4057 9.4078 9.4078 k = 0.0000 0.5000 0.1808 ( 5540 PWs) bands (ev): -19.6770 -19.6770 -19.6769 -19.6769 -19.1259 -19.1259 -19.1258 -19.1258 -16.3917 -16.3917 -16.3916 -16.3916 -9.9022 -9.9022 -9.9019 -9.9019 -8.0887 -8.0887 -8.0848 -8.0848 -8.0052 -8.0052 -8.0014 -8.0014 -7.0215 -7.0215 -7.0208 -7.0208 -3.9734 -3.9734 -3.9528 -3.9528 -3.7161 -3.7161 -3.7055 -3.7055 -3.0555 -3.0555 -3.0221 -3.0221 0.0362 0.0362 0.0380 0.0380 0.3267 0.3267 0.3281 0.3281 0.7517 0.7517 0.7550 0.7550 2.9915 2.9915 2.9961 2.9961 6.2340 6.2340 6.2424 6.2424 6.7380 6.7380 6.7432 6.7432 9.4220 9.4220 9.4241 9.4241 k = 0.0000 0.5000 0.2009 ( 5542 PWs) bands (ev): -19.6739 -19.6739 -19.6738 -19.6738 -19.1254 -19.1254 -19.1253 -19.1253 -16.3907 -16.3907 -16.3906 -16.3906 -9.9123 -9.9123 -9.9120 -9.9120 -8.0887 -8.0887 -8.0846 -8.0846 -8.0021 -8.0021 -7.9981 -7.9981 -7.0304 -7.0304 -7.0296 -7.0296 -3.9787 -3.9787 -3.9582 -3.9582 -3.7242 -3.7242 -3.7134 -3.7134 -3.0559 -3.0559 -3.0228 -3.0228 0.0557 0.0557 0.0577 0.0577 0.3293 0.3293 0.3307 0.3307 0.7424 0.7424 0.7458 0.7458 2.9840 2.9840 2.9886 2.9886 6.2707 6.2707 6.2795 6.2795 6.7403 6.7403 6.7455 6.7455 9.4399 9.4399 9.4422 9.4422 k = 0.0000 0.5000 0.2210 ( 5550 PWs) bands (ev): -19.6706 -19.6706 -19.6705 -19.6705 -19.1249 -19.1249 -19.1247 -19.1247 -16.3896 -16.3896 -16.3895 -16.3895 -9.9232 -9.9232 -9.9229 -9.9229 -8.0887 -8.0887 -8.0844 -8.0844 -7.9987 -7.9987 -7.9947 -7.9947 -7.0401 -7.0401 -7.0393 -7.0393 -3.9844 -3.9844 -3.9641 -3.9641 -3.7329 -3.7329 -3.7220 -3.7220 -3.0561 -3.0561 -3.0234 -3.0234 0.0763 0.0763 0.0785 0.0785 0.3321 0.3321 0.3335 0.3335 0.7325 0.7325 0.7361 0.7361 2.9758 2.9758 2.9806 2.9806 6.3102 6.3102 6.3195 6.3195 6.7432 6.7432 6.7483 6.7483 9.4593 9.4593 9.4618 9.4618 k = 0.0000 0.5000 0.2411 ( 5550 PWs) bands (ev): -19.6670 -19.6670 -19.6669 -19.6669 -19.1243 -19.1243 -19.1242 -19.1242 -16.3885 -16.3885 -16.3883 -16.3883 -9.9349 -9.9349 -9.9346 -9.9346 -8.0886 -8.0886 -8.0842 -8.0842 -7.9952 -7.9952 -7.9910 -7.9910 -7.0504 -7.0504 -7.0496 -7.0496 -3.9905 -3.9905 -3.9703 -3.9703 -3.7422 -3.7422 -3.7312 -3.7312 -3.0561 -3.0561 -3.0238 -3.0238 0.0978 0.0978 0.1003 0.1003 0.3353 0.3353 0.3366 0.3366 0.7222 0.7222 0.7259 0.7259 2.9671 2.9671 2.9719 2.9719 6.3523 6.3523 6.3623 6.3623 6.7466 6.7466 6.7518 6.7518 9.4803 9.4803 9.4830 9.4830 k = 0.0000 0.5000 0.2612 ( 5554 PWs) bands (ev): -19.6632 -19.6632 -19.6631 -19.6631 -19.1237 -19.1237 -19.1236 -19.1236 -16.3872 -16.3872 -16.3871 -16.3871 -9.9473 -9.9473 -9.9469 -9.9469 -8.0884 -8.0884 -8.0840 -8.0840 -7.9914 -7.9914 -7.9872 -7.9872 -7.0613 -7.0613 -7.0605 -7.0605 -3.9970 -3.9970 -3.9770 -3.9770 -3.7521 -3.7521 -3.7409 -3.7409 -3.0558 -3.0558 -3.0240 -3.0240 0.1200 0.1200 0.1227 0.1227 0.3388 0.3388 0.3401 0.3401 0.7116 0.7116 0.7155 0.7155 2.9578 2.9578 2.9627 2.9627 6.3966 6.3966 6.4074 6.4074 6.7508 6.7508 6.7561 6.7561 9.5027 9.5027 9.5056 9.5056 k = 0.0000 0.5000 0.2813 ( 5554 PWs) bands (ev): -19.6592 -19.6592 -19.6591 -19.6591 -19.1230 -19.1230 -19.1229 -19.1229 -16.3859 -16.3859 -16.3858 -16.3858 -9.9603 -9.9603 -9.9599 -9.9599 -8.0882 -8.0882 -8.0837 -8.0837 -7.9875 -7.9875 -7.9832 -7.9832 -7.0728 -7.0728 -7.0719 -7.0719 -4.0038 -4.0038 -3.9840 -3.9840 -3.7623 -3.7623 -3.7511 -3.7511 -3.0554 -3.0554 -3.0239 -3.0239 0.1424 0.1424 0.1454 0.1454 0.3427 0.3427 0.3440 0.3440 0.7007 0.7007 0.7048 0.7048 2.9480 2.9480 2.9530 2.9530 6.4426 6.4426 6.4545 6.4545 6.7558 6.7558 6.7614 6.7614 9.5265 9.5265 9.5295 9.5295 k = 0.0000 0.5000 0.3014 ( 5542 PWs) bands (ev): -19.6550 -19.6550 -19.6549 -19.6549 -19.1224 -19.1224 -19.1223 -19.1223 -16.3846 -16.3846 -16.3844 -16.3844 -9.9738 -9.9738 -9.9735 -9.9735 -8.0879 -8.0879 -8.0834 -8.0834 -7.9833 -7.9833 -7.9791 -7.9791 -7.0847 -7.0847 -7.0838 -7.0838 -4.0109 -4.0109 -3.9913 -3.9913 -3.7730 -3.7730 -3.7616 -3.7616 -3.0547 -3.0547 -3.0237 -3.0237 0.1649 0.1649 0.1683 0.1683 0.3471 0.3471 0.3483 0.3483 0.6898 0.6898 0.6941 0.6941 2.9378 2.9378 2.9430 2.9430 6.4898 6.4898 6.5031 6.5031 6.7620 6.7620 6.7682 6.7682 9.5514 9.5514 9.5546 9.5546 k = 0.0000 0.5000 0.3215 ( 5530 PWs) bands (ev): -19.6506 -19.6506 -19.6505 -19.6505 -19.1217 -19.1217 -19.1216 -19.1216 -16.3832 -16.3832 -16.3830 -16.3830 -9.9878 -9.9878 -9.9875 -9.9875 -8.0875 -8.0875 -8.0831 -8.0831 -7.9791 -7.9791 -7.9749 -7.9749 -7.0970 -7.0970 -7.0961 -7.0961 -4.0182 -4.0182 -3.9988 -3.9988 -3.7840 -3.7840 -3.7724 -3.7724 -3.0537 -3.0537 -3.0231 -3.0231 0.1870 0.1870 0.1908 0.1908 0.3519 0.3519 0.3532 0.3532 0.6789 0.6789 0.6834 0.6834 2.9272 2.9272 2.9325 2.9325 6.5374 6.5374 6.5525 6.5525 6.7697 6.7697 6.7770 6.7770 9.5775 9.5775 9.5808 9.5808 k = 0.0000 0.5000 0.3416 ( 5534 PWs) bands (ev): -19.6460 -19.6460 -19.6459 -19.6459 -19.1211 -19.1211 -19.1210 -19.1210 -16.3817 -16.3817 -16.3816 -16.3816 -10.0022 -10.0022 -10.0018 -10.0018 -8.0871 -8.0871 -8.0827 -8.0827 -7.9748 -7.9748 -7.9707 -7.9707 -7.1097 -7.1097 -7.1088 -7.1088 -4.0256 -4.0256 -4.0066 -4.0066 -3.7952 -3.7952 -3.7834 -3.7834 -3.0525 -3.0525 -3.0224 -3.0224 0.2086 0.2086 0.2127 0.2127 0.3573 0.3573 0.3586 0.3586 0.6681 0.6681 0.6730 0.6730 2.9163 2.9163 2.9217 2.9217 6.5839 6.5839 6.6015 6.6015 6.7797 6.7797 6.7889 6.7889 9.6046 9.6046 9.6080 9.6080 k = 0.0000 0.5000 0.3617 ( 5534 PWs) bands (ev): -19.6413 -19.6413 -19.6412 -19.6412 -19.1204 -19.1204 -19.1203 -19.1203 -16.3802 -16.3802 -16.3801 -16.3801 -10.0168 -10.0168 -10.0165 -10.0165 -8.0867 -8.0867 -8.0823 -8.0823 -7.9705 -7.9705 -7.9664 -7.9664 -7.1226 -7.1226 -7.1217 -7.1217 -4.0333 -4.0333 -4.0146 -4.0146 -3.8065 -3.8065 -3.7946 -3.7946 -3.0510 -3.0510 -3.0214 -3.0214 0.2291 0.2291 0.2336 0.2336 0.3633 0.3633 0.3647 0.3647 0.6577 0.6577 0.6630 0.6630 2.9052 2.9052 2.9107 2.9107 6.6278 6.6278 6.6482 6.6482 6.7937 6.7937 6.8054 6.8054 9.6325 9.6325 9.6361 9.6361 k = 0.0000 0.5000 0.3818 ( 5514 PWs) bands (ev): -19.6365 -19.6365 -19.6365 -19.6365 -19.1198 -19.1198 -19.1197 -19.1197 -16.3787 -16.3787 -16.3786 -16.3786 -10.0318 -10.0318 -10.0314 -10.0314 -8.0862 -8.0862 -8.0819 -8.0819 -7.9660 -7.9660 -7.9621 -7.9621 -7.1357 -7.1357 -7.1347 -7.1347 -4.0410 -4.0410 -4.0226 -4.0226 -3.8180 -3.8180 -3.8059 -3.8059 -3.0493 -3.0493 -3.0201 -3.0201 0.2483 0.2483 0.2532 0.2532 0.3700 0.3700 0.3716 0.3716 0.6479 0.6479 0.6535 0.6535 2.8938 2.8938 2.8994 2.8994 6.6663 6.6663 6.6894 6.6894 6.8147 6.8147 6.8287 6.8287 9.6612 9.6612 9.6650 9.6650 k = 0.0000 0.5000 0.4019 ( 5530 PWs) bands (ev): -19.6317 -19.6317 -19.6316 -19.6316 -19.1192 -19.1192 -19.1191 -19.1191 -16.3772 -16.3772 -16.3770 -16.3770 -10.0468 -10.0468 -10.0465 -10.0465 -8.0857 -8.0857 -8.0816 -8.0816 -7.9616 -7.9616 -7.9578 -7.9578 -7.1490 -7.1490 -7.1480 -7.1480 -4.0487 -4.0487 -4.0308 -4.0308 -3.8294 -3.8294 -3.8172 -3.8172 -3.0475 -3.0475 -3.0186 -3.0186 0.2658 0.2658 0.2709 0.2709 0.3775 0.3775 0.3793 0.3793 0.6386 0.6386 0.6447 0.6447 2.8824 2.8824 2.8881 2.8881 6.6975 6.6975 6.7214 6.7214 6.8461 6.8461 6.8605 6.8605 9.6905 9.6905 9.6944 9.6944 k = 0.0000 0.5000 0.4220 ( 5526 PWs) bands (ev): -19.6267 -19.6267 -19.6267 -19.6267 -19.1185 -19.1185 -19.1185 -19.1185 -16.3756 -16.3756 -16.3755 -16.3755 -10.0619 -10.0619 -10.0616 -10.0616 -8.0851 -8.0851 -8.0811 -8.0811 -7.9572 -7.9572 -7.9535 -7.9535 -7.1622 -7.1622 -7.1612 -7.1612 -4.0565 -4.0565 -4.0390 -4.0390 -3.8408 -3.8408 -3.8284 -3.8284 -3.0454 -3.0454 -3.0170 -3.0170 0.2813 0.2813 0.2867 0.2867 0.3857 0.3857 0.3879 0.3879 0.6303 0.6303 0.6369 0.6369 2.8708 2.8708 2.8767 2.8767 6.7213 6.7213 6.7437 6.7437 6.8879 6.8879 6.9008 6.9008 9.7202 9.7202 9.7243 9.7243 k = 0.0000 0.5000 0.4421 ( 5520 PWs) bands (ev): -19.6218 -19.6218 -19.6217 -19.6217 -19.1179 -19.1179 -19.1179 -19.1179 -16.3741 -16.3741 -16.3739 -16.3739 -10.0770 -10.0770 -10.0766 -10.0766 -8.0846 -8.0846 -8.0807 -8.0807 -7.9528 -7.9528 -7.9492 -7.9492 -7.1754 -7.1754 -7.1744 -7.1744 -4.0642 -4.0642 -4.0471 -4.0471 -3.8521 -3.8521 -3.8395 -3.8395 -3.0431 -3.0431 -3.0151 -3.0151 0.2949 0.2949 0.3003 0.3003 0.3944 0.3944 0.3971 0.3971 0.6231 0.6231 0.6303 0.6303 2.8593 2.8593 2.8653 2.8653 6.7392 6.7392 6.7595 6.7595 6.9367 6.9367 6.9473 6.9473 9.7503 9.7503 9.7544 9.7544 k = 0.0000 0.5000 0.4622 ( 5508 PWs) bands (ev): -19.6168 -19.6168 -19.6168 -19.6168 -19.1174 -19.1174 -19.1173 -19.1173 -16.3726 -16.3726 -16.3724 -16.3724 -10.0919 -10.0919 -10.0916 -10.0916 -8.0840 -8.0840 -8.0802 -8.0802 -7.9485 -7.9485 -7.9450 -7.9450 -7.1885 -7.1885 -7.1875 -7.1875 -4.0718 -4.0718 -4.0553 -4.0553 -3.8631 -3.8631 -3.8504 -3.8504 -3.0407 -3.0407 -3.0131 -3.0131 0.3065 0.3065 0.3118 0.3118 0.4031 0.4031 0.4065 0.4065 0.6174 0.6174 0.6251 0.6251 2.8479 2.8479 2.8540 2.8540 6.7536 6.7536 6.7719 6.7719 6.9891 6.9891 6.9977 6.9977 9.7805 9.7805 9.7847 9.7847 k = 0.0000 0.5000 0.4823 ( 5518 PWs) bands (ev): -19.6119 -19.6119 -19.6118 -19.6118 -19.1168 -19.1168 -19.1168 -19.1168 -16.3710 -16.3710 -16.3709 -16.3709 -10.1066 -10.1066 -10.1063 -10.1063 -8.0834 -8.0834 -8.0798 -8.0798 -7.9442 -7.9442 -7.9409 -7.9409 -7.2015 -7.2015 -7.2005 -7.2005 -4.0793 -4.0793 -4.0633 -4.0633 -3.8740 -3.8740 -3.8611 -3.8611 -3.0382 -3.0382 -3.0110 -3.0110 0.3164 0.3164 0.3215 0.3215 0.4113 0.4113 0.4155 0.4155 0.6133 0.6133 0.6216 0.6216 2.8365 2.8365 2.8428 2.8428 6.7658 6.7658 6.7826 6.7826 7.0430 7.0430 7.0501 7.0501 9.8106 9.8106 9.8149 9.8149 k = 0.0000 0.5000 0.5023 ( 5506 PWs) bands (ev): -19.6070 -19.6070 -19.6069 -19.6069 -19.1163 -19.1163 -19.1163 -19.1163 -16.3696 -16.3696 -16.3694 -16.3694 -10.1211 -10.1211 -10.1208 -10.1208 -8.0828 -8.0828 -8.0794 -8.0794 -7.9401 -7.9401 -7.9369 -7.9369 -7.2141 -7.2141 -7.2131 -7.2131 -4.0866 -4.0866 -4.0711 -4.0711 -3.8845 -3.8845 -3.8715 -3.8715 -3.0356 -3.0356 -3.0088 -3.0088 0.3248 0.3248 0.3297 0.3297 0.4186 0.4186 0.4236 0.4236 0.6111 0.6111 0.6199 0.6199 2.8254 2.8254 2.8318 2.8318 6.7768 6.7768 6.7923 6.7923 7.0973 7.0973 7.1032 7.1032 9.8404 9.8404 9.8447 9.8447 k = 0.0000 0.5000 0.5224 ( 5520 PWs) bands (ev): -19.6022 -19.6022 -19.6022 -19.6022 -19.1159 -19.1159 -19.1158 -19.1158 -16.3681 -16.3681 -16.3679 -16.3679 -10.1352 -10.1352 -10.1349 -10.1349 -8.0822 -8.0822 -8.0790 -8.0790 -7.9361 -7.9361 -7.9331 -7.9331 -7.2265 -7.2265 -7.2255 -7.2255 -4.0936 -4.0936 -4.0788 -4.0788 -3.8947 -3.8947 -3.8815 -3.8815 -3.0330 -3.0330 -3.0065 -3.0065 0.3320 0.3320 0.3367 0.3367 0.4244 0.4244 0.4301 0.4301 0.6110 0.6110 0.6202 0.6202 2.8146 2.8146 2.8210 2.8210 6.7869 6.7869 6.8015 6.8015 7.1512 7.1512 7.1563 7.1563 9.8698 9.8698 9.8741 9.8741 k = 0.0000 0.5000 0.5425 ( 5516 PWs) bands (ev): -19.5975 -19.5975 -19.5975 -19.5975 -19.1154 -19.1154 -19.1154 -19.1154 -16.3667 -16.3667 -16.3665 -16.3665 -10.1489 -10.1489 -10.1486 -10.1486 -8.0816 -8.0816 -8.0785 -8.0785 -7.9322 -7.9322 -7.9293 -7.9293 -7.2385 -7.2385 -7.2374 -7.2374 -4.1005 -4.1005 -4.0863 -4.0863 -3.9044 -3.9044 -3.8912 -3.8912 -3.0303 -3.0303 -3.0041 -3.0041 0.3383 0.3383 0.3427 0.3427 0.4286 0.4286 0.4348 0.4348 0.6130 0.6130 0.6224 0.6224 2.8040 2.8040 2.8106 2.8106 6.7964 6.7964 6.8104 6.8104 7.2042 7.2042 7.2086 7.2086 9.8984 9.8984 9.9026 9.9026 k = 0.0000 0.5000 0.5626 ( 5520 PWs) bands (ev): -19.5930 -19.5930 -19.5929 -19.5929 -19.1150 -19.1150 -19.1150 -19.1150 -16.3653 -16.3653 -16.3652 -16.3652 -10.1621 -10.1621 -10.1617 -10.1617 -8.0810 -8.0810 -8.0781 -8.0781 -7.9284 -7.9284 -7.9257 -7.9257 -7.2500 -7.2500 -7.2489 -7.2489 -4.1070 -4.1070 -4.0935 -4.0935 -3.9137 -3.9137 -3.9004 -3.9004 -3.0277 -3.0277 -3.0018 -3.0018 0.3438 0.3438 0.3480 0.3480 0.4311 0.4311 0.4377 0.4377 0.6169 0.6169 0.6263 0.6263 2.7939 2.7939 2.8006 2.8006 6.8056 6.8056 6.8189 6.8189 7.2558 7.2558 7.2597 7.2597 9.9260 9.9260 9.9301 9.9301 k = 0.0000 0.5000 0.5827 ( 5514 PWs) bands (ev): -19.5886 -19.5886 -19.5886 -19.5886 -19.1147 -19.1147 -19.1146 -19.1146 -16.3640 -16.3640 -16.3638 -16.3638 -10.1747 -10.1747 -10.1743 -10.1743 -8.0805 -8.0805 -8.0777 -8.0777 -7.9249 -7.9249 -7.9223 -7.9223 -7.2610 -7.2610 -7.2599 -7.2599 -4.1132 -4.1132 -4.1003 -4.1003 -3.9226 -3.9226 -3.9091 -3.9091 -3.0251 -3.0251 -2.9995 -2.9995 0.3486 0.3486 0.3526 0.3526 0.4320 0.4320 0.4388 0.4388 0.6223 0.6223 0.6316 0.6316 2.7842 2.7842 2.7910 2.7910 6.8143 6.8143 6.8272 6.8272 7.3056 7.3056 7.3091 7.3091 9.9523 9.9523 9.9564 9.9564 k = 0.0000 0.5000 0.6028 ( 5518 PWs) bands (ev): -19.5844 -19.5844 -19.5844 -19.5844 -19.1144 -19.1144 -19.1143 -19.1143 -16.3628 -16.3628 -16.3626 -16.3626 -10.1866 -10.1866 -10.1863 -10.1863 -8.0799 -8.0799 -8.0774 -8.0774 -7.9215 -7.9215 -7.9191 -7.9191 -7.2714 -7.2714 -7.2703 -7.2703 -4.1191 -4.1191 -4.1069 -4.1069 -3.9309 -3.9309 -3.9173 -3.9173 -3.0225 -3.0225 -2.9972 -2.9972 0.3530 0.3530 0.3568 0.3568 0.4318 0.4318 0.4386 0.4386 0.6288 0.6288 0.6378 0.6378 2.7750 2.7750 2.7819 2.7819 6.8227 6.8227 6.8352 6.8352 7.3532 7.3532 7.3564 7.3564 9.9771 9.9771 9.9810 9.9810 k = 0.0000 0.5000 0.6229 ( 5526 PWs) bands (ev): -19.5805 -19.5805 -19.5804 -19.5804 -19.1141 -19.1141 -19.1140 -19.1140 -16.3616 -16.3616 -16.3614 -16.3614 -10.1978 -10.1978 -10.1975 -10.1975 -8.0794 -8.0794 -8.0771 -8.0771 -7.9184 -7.9184 -7.9162 -7.9162 -7.2812 -7.2812 -7.2801 -7.2801 -4.1246 -4.1246 -4.1130 -4.1130 -3.9386 -3.9386 -3.9249 -3.9249 -3.0201 -3.0201 -2.9950 -2.9950 0.3569 0.3569 0.3605 0.3605 0.4305 0.4305 0.4373 0.4373 0.6359 0.6359 0.6446 0.6446 2.7663 2.7663 2.7733 2.7733 6.8307 6.8307 6.8429 6.8429 7.3984 7.3984 7.4014 7.4014 10.0002 10.0002 10.0038 10.0038 k = 0.0000 0.5000 0.6430 ( 5522 PWs) bands (ev): -19.5767 -19.5767 -19.5767 -19.5767 -19.1138 -19.1138 -19.1138 -19.1138 -16.3605 -16.3605 -16.3603 -16.3603 -10.2083 -10.2083 -10.2080 -10.2080 -8.0789 -8.0789 -8.0767 -8.0767 -7.9154 -7.9154 -7.9134 -7.9134 -7.2903 -7.2903 -7.2892 -7.2892 -4.1297 -4.1297 -4.1188 -4.1188 -3.9458 -3.9458 -3.9320 -3.9320 -3.0178 -3.0178 -2.9929 -2.9929 0.3604 0.3604 0.3638 0.3638 0.4286 0.4286 0.4354 0.4354 0.6433 0.6433 0.6517 0.6517 2.7582 2.7582 2.7654 2.7654 6.8383 6.8383 6.8502 6.8502 7.4409 7.4409 7.4436 7.4436 10.0212 10.0212 10.0246 10.0246 k = 0.0000 0.5000 0.6631 ( 5536 PWs) bands (ev): -19.5733 -19.5733 -19.5733 -19.5733 -19.1136 -19.1136 -19.1136 -19.1136 -16.3595 -16.3595 -16.3593 -16.3593 -10.2179 -10.2179 -10.2176 -10.2176 -8.0784 -8.0784 -8.0765 -8.0765 -7.9128 -7.9128 -7.9109 -7.9109 -7.2987 -7.2987 -7.2976 -7.2976 -4.1343 -4.1343 -4.1241 -4.1241 -3.9523 -3.9523 -3.9385 -3.9385 -3.0156 -3.0156 -2.9909 -2.9909 0.3636 0.3636 0.3668 0.3668 0.4263 0.4263 0.4330 0.4330 0.6506 0.6506 0.6586 0.6586 2.7508 2.7508 2.7580 2.7580 6.8454 6.8454 6.8570 6.8570 7.4802 7.4802 7.4827 7.4827 10.0401 10.0401 10.0432 10.0432 k = 0.0000 0.5000 0.6832 ( 5542 PWs) bands (ev): -19.5701 -19.5701 -19.5701 -19.5701 -19.1134 -19.1134 -19.1134 -19.1134 -16.3586 -16.3586 -16.3584 -16.3584 -10.2267 -10.2267 -10.2264 -10.2264 -8.0779 -8.0779 -8.0762 -8.0762 -7.9103 -7.9103 -7.9087 -7.9087 -7.3063 -7.3063 -7.3052 -7.3052 -4.1385 -4.1385 -4.1290 -4.1290 -3.9583 -3.9583 -3.9444 -3.9444 -3.0136 -3.0136 -2.9891 -2.9891 0.3664 0.3664 0.3694 0.3694 0.4239 0.4239 0.4305 0.4305 0.6576 0.6576 0.6653 0.6653 2.7440 2.7440 2.7513 2.7513 6.8519 6.8519 6.8634 6.8634 7.5162 7.5162 7.5185 7.5185 10.0566 10.0566 10.0595 10.0595 k = 0.0000 0.5000 0.7033 ( 5534 PWs) bands (ev): -19.5673 -19.5673 -19.5673 -19.5673 -19.1132 -19.1132 -19.1132 -19.1132 -16.3578 -16.3578 -16.3576 -16.3576 -10.2345 -10.2345 -10.2342 -10.2342 -8.0775 -8.0775 -8.0760 -8.0760 -7.9081 -7.9081 -7.9066 -7.9066 -7.3131 -7.3131 -7.3120 -7.3120 -4.1422 -4.1422 -4.1334 -4.1334 -3.9635 -3.9635 -3.9496 -3.9496 -3.0117 -3.0117 -2.9874 -2.9874 0.3689 0.3689 0.3716 0.3716 0.4214 0.4214 0.4280 0.4280 0.6641 0.6641 0.6715 0.6715 2.7379 2.7379 2.7453 2.7453 6.8579 6.8579 6.8691 6.8691 7.5486 7.5486 7.5508 7.5508 10.0709 10.0709 10.0734 10.0734 k = 0.0000 0.5000 0.7234 ( 5538 PWs) bands (ev): -19.5648 -19.5648 -19.5648 -19.5648 -19.1131 -19.1131 -19.1131 -19.1131 -16.3570 -16.3570 -16.3569 -16.3569 -10.2414 -10.2414 -10.2411 -10.2411 -8.0771 -8.0771 -8.0758 -8.0758 -7.9062 -7.9062 -7.9049 -7.9049 -7.3191 -7.3191 -7.3180 -7.3180 -4.1454 -4.1454 -4.1372 -4.1372 -3.9681 -3.9681 -3.9541 -3.9541 -3.0101 -3.0101 -2.9859 -2.9859 0.3710 0.3710 0.3736 0.3736 0.4190 0.4190 0.4256 0.4256 0.6699 0.6699 0.6770 0.6770 2.7326 2.7326 2.7401 2.7401 6.8631 6.8631 6.8743 6.8743 7.5772 7.5772 7.5792 7.5792 10.0829 10.0829 10.0851 10.0851 k = 0.0000 0.5000 0.7435 ( 5534 PWs) bands (ev): -19.5627 -19.5627 -19.5626 -19.5626 -19.1130 -19.1130 -19.1130 -19.1130 -16.3564 -16.3564 -16.3562 -16.3562 -10.2473 -10.2473 -10.2470 -10.2470 -8.0768 -8.0768 -8.0757 -8.0757 -7.9045 -7.9045 -7.9034 -7.9034 -7.3242 -7.3242 -7.3231 -7.3231 -4.1481 -4.1481 -4.1405 -4.1405 -3.9720 -3.9720 -3.9580 -3.9580 -3.0087 -3.0087 -2.9846 -2.9846 0.3729 0.3729 0.3752 0.3752 0.4168 0.4168 0.4235 0.4235 0.6749 0.6749 0.6819 0.6819 2.7281 2.7281 2.7356 2.7356 6.8677 6.8677 6.8787 6.8787 7.6018 7.6018 7.6036 7.6036 10.0928 10.0928 10.0946 10.0946 k = 0.0000 0.5000 0.7636 ( 5534 PWs) bands (ev): -19.5609 -19.5609 -19.5609 -19.5609 -19.1129 -19.1129 -19.1129 -19.1129 -16.3559 -16.3559 -16.3557 -16.3557 -10.2522 -10.2522 -10.2518 -10.2518 -8.0765 -8.0765 -8.0756 -8.0756 -7.9031 -7.9031 -7.9022 -7.9022 -7.3284 -7.3284 -7.3273 -7.3273 -4.1504 -4.1504 -4.1433 -4.1433 -3.9753 -3.9753 -3.9612 -3.9612 -3.0076 -3.0076 -2.9836 -2.9836 0.3744 0.3744 0.3764 0.3764 0.4150 0.4150 0.4216 0.4216 0.6791 0.6791 0.6859 0.6859 2.7243 2.7243 2.7319 2.7319 6.8715 6.8715 6.8824 6.8824 7.6222 7.6222 7.6239 7.6239 10.1005 10.1005 10.1020 10.1020 k = 0.0000 0.5000 0.7837 ( 5540 PWs) bands (ev): -19.5595 -19.5595 -19.5595 -19.5595 -19.1128 -19.1128 -19.1128 -19.1128 -16.3555 -16.3555 -16.3553 -16.3553 -10.2560 -10.2560 -10.2556 -10.2556 -8.0762 -8.0762 -8.0755 -8.0755 -7.9021 -7.9021 -7.9012 -7.9012 -7.3317 -7.3317 -7.3306 -7.3306 -4.1521 -4.1521 -4.1455 -4.1455 -3.9778 -3.9778 -3.9637 -3.9637 -3.0066 -3.0066 -2.9827 -2.9827 0.3756 0.3756 0.3774 0.3774 0.4135 0.4135 0.4202 0.4202 0.6825 0.6825 0.6891 0.6891 2.7213 2.7213 2.7290 2.7290 6.8745 6.8745 6.8854 6.8854 7.6382 7.6382 7.6398 7.6398 10.1063 10.1063 10.1076 10.1076 k = 0.0000 0.5000 0.8038 ( 5552 PWs) bands (ev): -19.5585 -19.5585 -19.5585 -19.5585 -19.1128 -19.1128 -19.1128 -19.1128 -16.3552 -16.3552 -16.3550 -16.3550 -10.2587 -10.2587 -10.2584 -10.2584 -8.0761 -8.0761 -8.0755 -8.0755 -7.9013 -7.9013 -7.9006 -7.9006 -7.3340 -7.3340 -7.3330 -7.3330 -4.1533 -4.1533 -4.1471 -4.1471 -3.9796 -3.9796 -3.9655 -3.9655 -3.0060 -3.0060 -2.9821 -2.9821 0.3765 0.3765 0.3780 0.3780 0.4124 0.4124 0.4191 0.4191 0.6849 0.6849 0.6914 0.6914 2.7192 2.7192 2.7269 2.7269 6.8767 6.8767 6.8875 6.8875 7.6497 7.6497 7.6512 7.6512 10.1104 10.1104 10.1114 10.1114 k = 0.0000 0.5000 0.8238 ( 5532 PWs) bands (ev): -19.5579 -19.5579 -19.5579 -19.5579 -19.1128 -19.1128 -19.1127 -19.1127 -16.3550 -16.3550 -16.3549 -16.3549 -10.2603 -10.2603 -10.2600 -10.2600 -8.0759 -8.0759 -8.0755 -8.0755 -7.9008 -7.9008 -7.9001 -7.9001 -7.3354 -7.3354 -7.3344 -7.3344 -4.1541 -4.1541 -4.1480 -4.1480 -3.9806 -3.9806 -3.9665 -3.9665 -3.0056 -3.0056 -2.9817 -2.9817 0.3771 0.3771 0.3784 0.3784 0.4117 0.4117 0.4185 0.4185 0.6863 0.6863 0.6928 0.6928 2.7180 2.7180 2.7256 2.7256 6.8780 6.8780 6.8888 6.8888 7.6567 7.6567 7.6581 7.6581 10.1128 10.1128 10.1136 10.1136 k = 0.0000 0.5000 0.8439 ( 5536 PWs) bands (ev): -19.5577 -19.5577 -19.5577 -19.5577 -19.1128 -19.1128 -19.1127 -19.1127 -16.3550 -16.3550 -16.3548 -16.3548 -10.2609 -10.2609 -10.2606 -10.2606 -8.0758 -8.0758 -8.0755 -8.0755 -7.9006 -7.9006 -7.9000 -7.9000 -7.3359 -7.3359 -7.3348 -7.3348 -4.1543 -4.1543 -4.1483 -4.1483 -3.9810 -3.9810 -3.9669 -3.9669 -3.0055 -3.0055 -2.9816 -2.9816 0.3773 0.3773 0.3785 0.3785 0.4115 0.4115 0.4183 0.4183 0.6868 0.6868 0.6932 0.6932 2.7175 2.7175 2.7252 2.7252 6.8785 6.8785 6.8892 6.8892 7.6590 7.6590 7.6604 7.6604 10.1136 10.1136 10.1144 10.1144 k = 0.5000 0.5000-0.0000 ( 5548 PWs) bands (ev): -19.6480 -19.6480 -19.6480 -19.6480 -19.1873 -19.1873 -19.1873 -19.1873 -16.3719 -16.3719 -16.3719 -16.3719 -9.8912 -9.8912 -9.8912 -9.8912 -8.0527 -8.0527 -8.0527 -8.0527 -7.9746 -7.9746 -7.9746 -7.9746 -7.0287 -7.0287 -7.0287 -7.0287 -4.0846 -4.0846 -4.0846 -4.0846 -3.4480 -3.4480 -3.4480 -3.4480 -3.1924 -3.1924 -3.1924 -3.1924 -0.0236 -0.0236 -0.0236 -0.0236 0.4343 0.4343 0.4343 0.4343 0.8586 0.8586 0.8586 0.8586 3.0116 3.0116 3.0116 3.0116 5.9122 5.9122 5.9122 5.9122 6.6111 6.6111 6.6111 6.6111 10.0062 10.0062 10.0062 10.0062 k = 0.5000 0.5000 0.0201 ( 5556 PWs) bands (ev): -19.6479 -19.6479 -19.6479 -19.6479 -19.1872 -19.1872 -19.1872 -19.1872 -16.3719 -16.3719 -16.3719 -16.3719 -9.8918 -9.8918 -9.8918 -9.8918 -8.0526 -8.0526 -8.0526 -8.0526 -7.9744 -7.9744 -7.9744 -7.9744 -7.0293 -7.0293 -7.0293 -7.0293 -4.0847 -4.0847 -4.0847 -4.0847 -3.4488 -3.4488 -3.4488 -3.4488 -3.1924 -3.1924 -3.1924 -3.1924 -0.0223 -0.0223 -0.0223 -0.0223 0.4342 0.4342 0.4342 0.4342 0.8579 0.8579 0.8579 0.8579 3.0111 3.0111 3.0111 3.0111 5.9146 5.9146 5.9146 5.9146 6.6112 6.6112 6.6112 6.6112 10.0067 10.0067 10.0067 10.0067 k = 0.5000 0.5000 0.0402 ( 5548 PWs) bands (ev): -19.6475 -19.6475 -19.6475 -19.6475 -19.1869 -19.1869 -19.1869 -19.1869 -16.3718 -16.3718 -16.3718 -16.3718 -9.8937 -9.8937 -9.8937 -9.8937 -8.0523 -8.0523 -8.0523 -8.0523 -7.9736 -7.9736 -7.9736 -7.9736 -7.0309 -7.0309 -7.0309 -7.0309 -4.0851 -4.0851 -4.0851 -4.0851 -3.4512 -3.4512 -3.4512 -3.4512 -3.1922 -3.1922 -3.1922 -3.1922 -0.0183 -0.0183 -0.0183 -0.0183 0.4337 0.4337 0.4337 0.4337 0.8560 0.8560 0.8560 0.8560 3.0098 3.0098 3.0098 3.0098 5.9220 5.9220 5.9220 5.9220 6.6115 6.6115 6.6115 6.6115 10.0082 10.0082 10.0082 10.0082 k = 0.5000 0.5000 0.0603 ( 5564 PWs) bands (ev): -19.6468 -19.6468 -19.6468 -19.6468 -19.1864 -19.1864 -19.1864 -19.1864 -16.3717 -16.3717 -16.3717 -16.3717 -9.8969 -9.8969 -9.8969 -9.8969 -8.0519 -8.0519 -8.0519 -8.0519 -7.9724 -7.9724 -7.9724 -7.9724 -7.0336 -7.0336 -7.0336 -7.0336 -4.0856 -4.0856 -4.0856 -4.0856 -3.4552 -3.4552 -3.4552 -3.4552 -3.1919 -3.1919 -3.1919 -3.1919 -0.0118 -0.0118 -0.0118 -0.0118 0.4330 0.4330 0.4330 0.4330 0.8528 0.8528 0.8528 0.8528 3.0076 3.0076 3.0076 3.0076 5.9341 5.9341 5.9341 5.9341 6.6119 6.6119 6.6119 6.6119 10.0106 10.0106 10.0106 10.0106 k = 0.5000 0.5000 0.0804 ( 5544 PWs) bands (ev): -19.6459 -19.6459 -19.6459 -19.6459 -19.1858 -19.1858 -19.1858 -19.1858 -16.3715 -16.3715 -16.3715 -16.3715 -9.9013 -9.9013 -9.9013 -9.9013 -8.0513 -8.0513 -8.0513 -8.0513 -7.9706 -7.9706 -7.9706 -7.9706 -7.0373 -7.0373 -7.0373 -7.0373 -4.0864 -4.0864 -4.0864 -4.0864 -3.4608 -3.4608 -3.4608 -3.4608 -3.1915 -3.1915 -3.1915 -3.1915 -0.0028 -0.0028 -0.0028 -0.0028 0.4320 0.4320 0.4320 0.4320 0.8483 0.8483 0.8483 0.8483 3.0046 3.0046 3.0046 3.0046 5.9510 5.9510 5.9510 5.9510 6.6126 6.6126 6.6126 6.6126 10.0141 10.0141 10.0141 10.0141 k = 0.5000 0.5000 0.1005 ( 5544 PWs) bands (ev): -19.6447 -19.6447 -19.6447 -19.6447 -19.1849 -19.1849 -19.1849 -19.1849 -16.3712 -16.3712 -16.3712 -16.3712 -9.9070 -9.9070 -9.9070 -9.9070 -8.0505 -8.0505 -8.0505 -8.0505 -7.9684 -7.9684 -7.9684 -7.9684 -7.0421 -7.0421 -7.0421 -7.0421 -4.0875 -4.0875 -4.0875 -4.0875 -3.4678 -3.4678 -3.4678 -3.4678 -3.1909 -3.1909 -3.1909 -3.1909 0.0087 0.0087 0.0087 0.0087 0.4307 0.4307 0.4307 0.4307 0.8427 0.8427 0.8427 0.8427 3.0007 3.0007 3.0007 3.0007 5.9726 5.9726 5.9726 5.9726 6.6134 6.6134 6.6134 6.6134 10.0185 10.0185 10.0185 10.0185 k = 0.5000 0.5000 0.1206 ( 5544 PWs) bands (ev): -19.6433 -19.6433 -19.6433 -19.6433 -19.1840 -19.1840 -19.1840 -19.1840 -16.3709 -16.3709 -16.3709 -16.3709 -9.9138 -9.9138 -9.9138 -9.9138 -8.0495 -8.0495 -8.0495 -8.0495 -7.9658 -7.9658 -7.9658 -7.9658 -7.0478 -7.0478 -7.0478 -7.0478 -4.0889 -4.0889 -4.0889 -4.0889 -3.4763 -3.4763 -3.4763 -3.4763 -3.1901 -3.1901 -3.1901 -3.1901 0.0225 0.0225 0.0225 0.0225 0.4291 0.4291 0.4291 0.4291 0.8360 0.8360 0.8360 0.8360 2.9959 2.9959 2.9959 2.9959 5.9986 5.9986 5.9986 5.9986 6.6144 6.6144 6.6144 6.6144 10.0240 10.0240 10.0240 10.0240 k = 0.5000 0.5000 0.1407 ( 5552 PWs) bands (ev): -19.6417 -19.6417 -19.6417 -19.6417 -19.1828 -19.1828 -19.1828 -19.1828 -16.3705 -16.3705 -16.3705 -16.3705 -9.9218 -9.9218 -9.9218 -9.9218 -8.0484 -8.0484 -8.0484 -8.0484 -7.9627 -7.9627 -7.9627 -7.9627 -7.0546 -7.0546 -7.0546 -7.0546 -4.0905 -4.0905 -4.0905 -4.0905 -3.4861 -3.4861 -3.4861 -3.4861 -3.1891 -3.1891 -3.1891 -3.1891 0.0384 0.0384 0.0384 0.0384 0.4272 0.4272 0.4272 0.4272 0.8282 0.8282 0.8282 0.8282 2.9903 2.9903 2.9903 2.9903 6.0291 6.0291 6.0291 6.0291 6.6157 6.6157 6.6157 6.6157 10.0304 10.0304 10.0304 10.0304 k = 0.5000 0.5000 0.1608 ( 5552 PWs) bands (ev): -19.6398 -19.6398 -19.6398 -19.6398 -19.1815 -19.1815 -19.1815 -19.1815 -16.3701 -16.3701 -16.3701 -16.3701 -9.9308 -9.9308 -9.9308 -9.9308 -8.0471 -8.0471 -8.0471 -8.0471 -7.9592 -7.9592 -7.9592 -7.9592 -7.0622 -7.0622 -7.0622 -7.0622 -4.0925 -4.0925 -4.0925 -4.0925 -3.4971 -3.4971 -3.4971 -3.4971 -3.1879 -3.1879 -3.1879 -3.1879 0.0564 0.0564 0.0564 0.0564 0.4251 0.4251 0.4251 0.4251 0.8195 0.8195 0.8195 0.8195 2.9840 2.9840 2.9840 2.9840 6.0637 6.0637 6.0637 6.0637 6.6171 6.6171 6.6171 6.6171 10.0378 10.0378 10.0378 10.0378 k = 0.5000 0.5000 0.1808 ( 5568 PWs) bands (ev): -19.6377 -19.6377 -19.6377 -19.6377 -19.1800 -19.1800 -19.1800 -19.1800 -16.3697 -16.3697 -16.3697 -16.3697 -9.9409 -9.9409 -9.9409 -9.9409 -8.0457 -8.0457 -8.0457 -8.0457 -7.9553 -7.9553 -7.9553 -7.9553 -7.0707 -7.0707 -7.0707 -7.0707 -4.0948 -4.0948 -4.0948 -4.0948 -3.5093 -3.5093 -3.5093 -3.5093 -3.1864 -3.1864 -3.1864 -3.1864 0.0762 0.0762 0.0762 0.0762 0.4227 0.4227 0.4227 0.4227 0.8100 0.8100 0.8100 0.8100 2.9768 2.9768 2.9768 2.9768 6.1022 6.1022 6.1022 6.1022 6.6188 6.6188 6.6188 6.6188 10.0462 10.0462 10.0462 10.0462 k = 0.5000 0.5000 0.2009 ( 5552 PWs) bands (ev): -19.6354 -19.6354 -19.6354 -19.6354 -19.1784 -19.1784 -19.1784 -19.1784 -16.3692 -16.3692 -16.3692 -16.3692 -9.9520 -9.9520 -9.9520 -9.9520 -8.0441 -8.0441 -8.0441 -8.0441 -7.9509 -7.9509 -7.9509 -7.9509 -7.0799 -7.0799 -7.0799 -7.0799 -4.0975 -4.0975 -4.0975 -4.0975 -3.5225 -3.5225 -3.5225 -3.5225 -3.1847 -3.1847 -3.1847 -3.1847 0.0977 0.0977 0.0977 0.0977 0.4202 0.4202 0.4202 0.4202 0.7997 0.7997 0.7997 0.7997 2.9689 2.9689 2.9689 2.9689 6.1446 6.1446 6.1446 6.1446 6.6208 6.6208 6.6208 6.6208 10.0557 10.0557 10.0557 10.0557 k = 0.5000 0.5000 0.2210 ( 5560 PWs) bands (ev): -19.6329 -19.6329 -19.6329 -19.6329 -19.1766 -19.1766 -19.1766 -19.1766 -16.3686 -16.3686 -16.3686 -16.3686 -9.9640 -9.9640 -9.9640 -9.9640 -8.0424 -8.0424 -8.0424 -8.0424 -7.9463 -7.9463 -7.9463 -7.9463 -7.0900 -7.0900 -7.0900 -7.0900 -4.1006 -4.1006 -4.1006 -4.1006 -3.5366 -3.5366 -3.5366 -3.5366 -3.1826 -3.1826 -3.1826 -3.1826 0.1207 0.1207 0.1207 0.1207 0.4173 0.4173 0.4173 0.4173 0.7887 0.7887 0.7887 0.7887 2.9603 2.9603 2.9603 2.9603 6.1904 6.1904 6.1904 6.1904 6.6229 6.6229 6.6229 6.6229 10.0661 10.0661 10.0661 10.0661 k = 0.5000 0.5000 0.2411 ( 5568 PWs) bands (ev): -19.6302 -19.6302 -19.6302 -19.6302 -19.1747 -19.1747 -19.1747 -19.1747 -16.3680 -16.3680 -16.3680 -16.3680 -9.9768 -9.9768 -9.9768 -9.9768 -8.0406 -8.0406 -8.0406 -8.0406 -7.9413 -7.9413 -7.9413 -7.9413 -7.1007 -7.1007 -7.1007 -7.1007 -4.1041 -4.1041 -4.1041 -4.1041 -3.5515 -3.5515 -3.5515 -3.5515 -3.1802 -3.1802 -3.1802 -3.1802 0.1450 0.1450 0.1450 0.1450 0.4143 0.4143 0.4143 0.4143 0.7772 0.7772 0.7772 0.7772 2.9510 2.9510 2.9510 2.9510 6.2394 6.2394 6.2394 6.2394 6.6254 6.6254 6.6254 6.6254 10.0775 10.0775 10.0775 10.0775 k = 0.5000 0.5000 0.2612 ( 5576 PWs) bands (ev): -19.6274 -19.6274 -19.6274 -19.6274 -19.1727 -19.1727 -19.1727 -19.1727 -16.3674 -16.3674 -16.3674 -16.3674 -9.9903 -9.9903 -9.9903 -9.9903 -8.0386 -8.0386 -8.0386 -8.0386 -7.9360 -7.9360 -7.9360 -7.9360 -7.1120 -7.1120 -7.1120 -7.1120 -4.1080 -4.1080 -4.1080 -4.1080 -3.5671 -3.5671 -3.5671 -3.5671 -3.1774 -3.1774 -3.1774 -3.1774 0.1704 0.1704 0.1704 0.1704 0.4111 0.4111 0.4111 0.4111 0.7653 0.7653 0.7653 0.7653 2.9411 2.9411 2.9411 2.9411 6.2915 6.2915 6.2915 6.2915 6.6281 6.6281 6.6281 6.6281 10.0899 10.0899 10.0899 10.0899 k = 0.5000 0.5000 0.2813 ( 5576 PWs) bands (ev): -19.6244 -19.6244 -19.6244 -19.6244 -19.1706 -19.1706 -19.1706 -19.1706 -16.3668 -16.3668 -16.3668 -16.3668 -10.0045 -10.0045 -10.0045 -10.0045 -8.0365 -8.0365 -8.0365 -8.0365 -7.9304 -7.9304 -7.9304 -7.9304 -7.1239 -7.1239 -7.1239 -7.1239 -4.1124 -4.1124 -4.1124 -4.1124 -3.5832 -3.5832 -3.5832 -3.5832 -3.1743 -3.1743 -3.1743 -3.1743 0.1967 0.1967 0.1967 0.1967 0.4077 0.4077 0.4077 0.4077 0.7530 0.7530 0.7530 0.7530 2.9306 2.9306 2.9306 2.9306 6.3462 6.3462 6.3462 6.3462 6.6311 6.6311 6.6311 6.6311 10.1033 10.1033 10.1033 10.1033 k = 0.5000 0.5000 0.3014 ( 5556 PWs) bands (ev): -19.6212 -19.6212 -19.6212 -19.6212 -19.1684 -19.1684 -19.1684 -19.1684 -16.3661 -16.3661 -16.3661 -16.3661 -10.0193 -10.0193 -10.0193 -10.0193 -8.0344 -8.0344 -8.0344 -8.0344 -7.9246 -7.9246 -7.9246 -7.9246 -7.1361 -7.1361 -7.1361 -7.1361 -4.1172 -4.1172 -4.1172 -4.1172 -3.5998 -3.5998 -3.5998 -3.5998 -3.1708 -3.1708 -3.1708 -3.1708 0.2237 0.2237 0.2237 0.2237 0.4041 0.4041 0.4041 0.4041 0.7405 0.7405 0.7405 0.7405 2.9195 2.9195 2.9195 2.9195 6.4033 6.4033 6.4033 6.4033 6.6344 6.6344 6.6344 6.6344 10.1176 10.1176 10.1176 10.1176 k = 0.5000 0.5000 0.3215 ( 5564 PWs) bands (ev): -19.6180 -19.6180 -19.6180 -19.6180 -19.1661 -19.1661 -19.1661 -19.1661 -16.3654 -16.3654 -16.3654 -16.3654 -10.0346 -10.0346 -10.0346 -10.0346 -8.0321 -8.0321 -8.0321 -8.0321 -7.9186 -7.9186 -7.9186 -7.9186 -7.1488 -7.1488 -7.1488 -7.1488 -4.1224 -4.1224 -4.1224 -4.1224 -3.6166 -3.6166 -3.6166 -3.6166 -3.1669 -3.1669 -3.1669 -3.1669 0.2512 0.2512 0.2512 0.2512 0.4005 0.4005 0.4005 0.4005 0.7279 0.7279 0.7279 0.7279 2.9079 2.9079 2.9079 2.9079 6.4625 6.4625 6.4625 6.4625 6.6381 6.6381 6.6381 6.6381 10.1328 10.1328 10.1328 10.1328 k = 0.5000 0.5000 0.3416 ( 5564 PWs) bands (ev): -19.6146 -19.6146 -19.6146 -19.6146 -19.1637 -19.1637 -19.1637 -19.1637 -16.3647 -16.3647 -16.3647 -16.3647 -10.0503 -10.0503 -10.0503 -10.0503 -8.0298 -8.0298 -8.0298 -8.0298 -7.9124 -7.9124 -7.9124 -7.9124 -7.1618 -7.1618 -7.1618 -7.1618 -4.1281 -4.1281 -4.1281 -4.1281 -3.6337 -3.6337 -3.6337 -3.6337 -3.1626 -3.1626 -3.1626 -3.1626 0.2791 0.2791 0.2791 0.2791 0.3967 0.3967 0.3967 0.3967 0.7152 0.7152 0.7152 0.7152 2.8959 2.8959 2.8959 2.8959 6.5233 6.5233 6.5233 6.5233 6.6422 6.6422 6.6422 6.6422 10.1488 10.1488 10.1488 10.1488 k = 0.5000 0.5000 0.3617 ( 5556 PWs) bands (ev): -19.6111 -19.6111 -19.6111 -19.6111 -19.1613 -19.1613 -19.1613 -19.1613 -16.3639 -16.3639 -16.3639 -16.3639 -10.0664 -10.0664 -10.0664 -10.0664 -8.0274 -8.0274 -8.0274 -8.0274 -7.9061 -7.9061 -7.9061 -7.9061 -7.1751 -7.1751 -7.1751 -7.1751 -4.1341 -4.1341 -4.1341 -4.1341 -3.6509 -3.6509 -3.6509 -3.6509 -3.1580 -3.1580 -3.1580 -3.1580 0.3070 0.3070 0.3070 0.3070 0.3928 0.3928 0.3928 0.3928 0.7025 0.7025 0.7025 0.7025 2.8835 2.8835 2.8835 2.8835 6.5847 6.5847 6.5847 6.5847 6.6474 6.6474 6.6474 6.6474 10.1657 10.1657 10.1657 10.1657 k = 0.5000 0.5000 0.3818 ( 5544 PWs) bands (ev): -19.6076 -19.6076 -19.6076 -19.6076 -19.1588 -19.1588 -19.1588 -19.1588 -16.3632 -16.3632 -16.3632 -16.3632 -10.0826 -10.0826 -10.0826 -10.0826 -8.0250 -8.0250 -8.0250 -8.0250 -7.8996 -7.8996 -7.8996 -7.8996 -7.1884 -7.1884 -7.1884 -7.1884 -4.1405 -4.1405 -4.1405 -4.1405 -3.6681 -3.6681 -3.6681 -3.6681 -3.1530 -3.1530 -3.1530 -3.1530 0.3349 0.3349 0.3349 0.3349 0.3888 0.3888 0.3888 0.3888 0.6900 0.6900 0.6900 0.6900 2.8708 2.8708 2.8708 2.8708 6.6375 6.6375 6.6375 6.6375 6.6626 6.6626 6.6626 6.6626 10.1834 10.1834 10.1834 10.1834 k = 0.5000 0.5000 0.4019 ( 5556 PWs) bands (ev): -19.6040 -19.6040 -19.6040 -19.6040 -19.1563 -19.1563 -19.1563 -19.1563 -16.3624 -16.3624 -16.3624 -16.3624 -10.0990 -10.0990 -10.0990 -10.0990 -8.0226 -8.0226 -8.0226 -8.0226 -7.8932 -7.8932 -7.8932 -7.8932 -7.2019 -7.2019 -7.2019 -7.2019 -4.1473 -4.1473 -4.1473 -4.1473 -3.6852 -3.6852 -3.6852 -3.6852 -3.1477 -3.1477 -3.1477 -3.1477 0.3626 0.3626 0.3626 0.3626 0.3848 0.3848 0.3848 0.3848 0.6777 0.6777 0.6777 0.6777 2.8578 2.8578 2.8578 2.8578 6.6509 6.6509 6.6509 6.6509 6.7184 6.7184 6.7184 6.7184 10.2018 10.2018 10.2018 10.2018 k = 0.5000 0.5000 0.4220 ( 5532 PWs) bands (ev): -19.6004 -19.6004 -19.6004 -19.6004 -19.1538 -19.1538 -19.1538 -19.1538 -16.3617 -16.3617 -16.3617 -16.3617 -10.1155 -10.1155 -10.1155 -10.1155 -8.0201 -8.0201 -8.0201 -8.0201 -7.8867 -7.8867 -7.8867 -7.8867 -7.2154 -7.2154 -7.2154 -7.2154 -4.1543 -4.1543 -4.1543 -4.1543 -3.7021 -3.7021 -3.7021 -3.7021 -3.1421 -3.1421 -3.1421 -3.1421 0.3805 0.3805 0.3805 0.3805 0.3902 0.3902 0.3902 0.3902 0.6656 0.6656 0.6656 0.6656 2.8446 2.8446 2.8446 2.8446 6.6565 6.6565 6.6565 6.6565 6.7826 6.7826 6.7826 6.7826 10.2207 10.2207 10.2207 10.2207 k = 0.5000 0.5000 0.4421 ( 5532 PWs) bands (ev): -19.5968 -19.5968 -19.5968 -19.5968 -19.1513 -19.1513 -19.1513 -19.1513 -16.3609 -16.3609 -16.3609 -16.3609 -10.1319 -10.1319 -10.1319 -10.1319 -8.0176 -8.0176 -8.0176 -8.0176 -7.8802 -7.8802 -7.8802 -7.8802 -7.2288 -7.2288 -7.2288 -7.2288 -4.1616 -4.1616 -4.1616 -4.1616 -3.7188 -3.7188 -3.7188 -3.7188 -3.1363 -3.1363 -3.1363 -3.1363 0.3766 0.3766 0.3766 0.3766 0.4169 0.4169 0.4169 0.4169 0.6539 0.6539 0.6539 0.6539 2.8313 2.8313 2.8313 2.8313 6.6616 6.6616 6.6616 6.6616 6.8477 6.8477 6.8477 6.8477 10.2400 10.2400 10.2400 10.2400 k = 0.5000 0.5000 0.4622 ( 5520 PWs) bands (ev): -19.5933 -19.5933 -19.5933 -19.5933 -19.1487 -19.1487 -19.1487 -19.1487 -16.3602 -16.3602 -16.3602 -16.3602 -10.1481 -10.1481 -10.1481 -10.1481 -8.0152 -8.0152 -8.0152 -8.0152 -7.8737 -7.8737 -7.8737 -7.8737 -7.2421 -7.2421 -7.2421 -7.2421 -4.1690 -4.1690 -4.1690 -4.1690 -3.7350 -3.7350 -3.7350 -3.7350 -3.1303 -3.1303 -3.1303 -3.1303 0.3726 0.3726 0.3726 0.3726 0.4430 0.4430 0.4430 0.4430 0.6425 0.6425 0.6425 0.6425 2.8180 2.8180 2.8180 2.8180 6.6666 6.6666 6.6666 6.6666 6.9130 6.9130 6.9130 6.9130 10.2529 10.2529 10.2529 10.2529 k = 0.5000 0.5000 0.4823 ( 5536 PWs) bands (ev): -19.5897 -19.5897 -19.5897 -19.5897 -19.1463 -19.1463 -19.1463 -19.1463 -16.3595 -16.3595 -16.3595 -16.3595 -10.1642 -10.1642 -10.1642 -10.1642 -8.0128 -8.0128 -8.0128 -8.0128 -7.8673 -7.8673 -7.8673 -7.8673 -7.2551 -7.2551 -7.2551 -7.2551 -4.1767 -4.1767 -4.1767 -4.1767 -3.7509 -3.7509 -3.7509 -3.7509 -3.1241 -3.1241 -3.1241 -3.1241 0.3685 0.3685 0.3685 0.3685 0.4684 0.4684 0.4684 0.4684 0.6316 0.6316 0.6316 0.6316 2.8047 2.8047 2.8047 2.8047 6.6715 6.6715 6.6715 6.6715 6.9779 6.9779 6.9779 6.9779 10.2462 10.2462 10.2462 10.2462 k = 0.5000 0.5000 0.5023 ( 5552 PWs) bands (ev): -19.5862 -19.5862 -19.5862 -19.5862 -19.1438 -19.1438 -19.1438 -19.1438 -16.3587 -16.3587 -16.3587 -16.3587 -10.1799 -10.1799 -10.1799 -10.1799 -8.0105 -8.0105 -8.0105 -8.0105 -7.8611 -7.8611 -7.8611 -7.8611 -7.2680 -7.2680 -7.2680 -7.2680 -4.1843 -4.1843 -4.1843 -4.1843 -3.7663 -3.7663 -3.7663 -3.7663 -3.1178 -3.1178 -3.1178 -3.1178 0.3646 0.3646 0.3646 0.3646 0.4928 0.4928 0.4928 0.4928 0.6211 0.6211 0.6211 0.6211 2.7915 2.7915 2.7915 2.7915 6.6765 6.6765 6.6765 6.6765 7.0420 7.0420 7.0420 7.0420 10.2365 10.2365 10.2365 10.2365 k = 0.5000 0.5000 0.5224 ( 5560 PWs) bands (ev): -19.5828 -19.5828 -19.5828 -19.5828 -19.1414 -19.1414 -19.1414 -19.1414 -16.3580 -16.3580 -16.3580 -16.3580 -10.1952 -10.1952 -10.1952 -10.1952 -8.0082 -8.0082 -8.0082 -8.0082 -7.8549 -7.8549 -7.8549 -7.8549 -7.2804 -7.2804 -7.2804 -7.2804 -4.1920 -4.1920 -4.1920 -4.1920 -3.7811 -3.7811 -3.7811 -3.7811 -3.1114 -3.1114 -3.1114 -3.1114 0.3607 0.3607 0.3607 0.3607 0.5163 0.5163 0.5163 0.5163 0.6112 0.6112 0.6112 0.6112 2.7785 2.7785 2.7785 2.7785 6.6814 6.6814 6.6814 6.6814 7.1050 7.1050 7.1050 7.1050 10.2251 10.2251 10.2251 10.2251 k = 0.5000 0.5000 0.5425 ( 5552 PWs) bands (ev): -19.5795 -19.5795 -19.5795 -19.5795 -19.1391 -19.1391 -19.1391 -19.1391 -16.3574 -16.3574 -16.3574 -16.3574 -10.2101 -10.2101 -10.2101 -10.2101 -8.0059 -8.0059 -8.0059 -8.0059 -7.8490 -7.8490 -7.8490 -7.8490 -7.2924 -7.2924 -7.2924 -7.2924 -4.1997 -4.1997 -4.1997 -4.1997 -3.7953 -3.7953 -3.7953 -3.7953 -3.1051 -3.1051 -3.1051 -3.1051 0.3570 0.3570 0.3570 0.3570 0.5384 0.5384 0.5384 0.5384 0.6020 0.6020 0.6020 0.6020 2.7658 2.7658 2.7658 2.7658 6.6863 6.6863 6.6863 6.6863 7.1666 7.1666 7.1666 7.1666 10.2123 10.2123 10.2123 10.2123 k = 0.5000 0.5000 0.5626 ( 5568 PWs) bands (ev): -19.5763 -19.5763 -19.5763 -19.5763 -19.1369 -19.1369 -19.1369 -19.1369 -16.3567 -16.3567 -16.3567 -16.3567 -10.2243 -10.2243 -10.2243 -10.2243 -8.0037 -8.0037 -8.0037 -8.0037 -7.8433 -7.8433 -7.8433 -7.8433 -7.3040 -7.3040 -7.3040 -7.3040 -4.2072 -4.2072 -4.2072 -4.2072 -3.8088 -3.8088 -3.8088 -3.8088 -3.0988 -3.0988 -3.0988 -3.0988 0.3533 0.3533 0.3533 0.3533 0.5589 0.5589 0.5589 0.5589 0.5939 0.5939 0.5939 0.5939 2.7535 2.7535 2.7535 2.7535 6.6911 6.6911 6.6911 6.6911 7.2263 7.2263 7.2263 7.2263 10.1985 10.1985 10.1985 10.1985 k = 0.5000 0.5000 0.5827 ( 5568 PWs) bands (ev): -19.5732 -19.5732 -19.5732 -19.5732 -19.1347 -19.1347 -19.1347 -19.1347 -16.3561 -16.3561 -16.3561 -16.3561 -10.2380 -10.2380 -10.2380 -10.2380 -8.0016 -8.0016 -8.0016 -8.0016 -7.8378 -7.8378 -7.8378 -7.8378 -7.3150 -7.3150 -7.3150 -7.3150 -4.2145 -4.2145 -4.2145 -4.2145 -3.8216 -3.8216 -3.8216 -3.8216 -3.0926 -3.0926 -3.0926 -3.0926 0.3498 0.3498 0.3498 0.3498 0.5744 0.5744 0.5744 0.5744 0.5902 0.5902 0.5902 0.5902 2.7416 2.7416 2.7416 2.7416 6.6958 6.6958 6.6958 6.6958 7.2839 7.2839 7.2839 7.2839 10.1842 10.1842 10.1842 10.1842 k = 0.5000 0.5000 0.6028 ( 5568 PWs) bands (ev): -19.5702 -19.5702 -19.5702 -19.5702 -19.1327 -19.1327 -19.1327 -19.1327 -16.3555 -16.3555 -16.3555 -16.3555 -10.2509 -10.2509 -10.2509 -10.2509 -7.9996 -7.9996 -7.9996 -7.9996 -7.8326 -7.8326 -7.8326 -7.8326 -7.3254 -7.3254 -7.3254 -7.3254 -4.2216 -4.2216 -4.2216 -4.2216 -3.8336 -3.8336 -3.8336 -3.8336 -3.0866 -3.0866 -3.0866 -3.0866 0.3465 0.3465 0.3465 0.3465 0.5735 0.5735 0.5735 0.5735 0.6020 0.6020 0.6020 0.6020 2.7302 2.7302 2.7302 2.7302 6.7003 6.7003 6.7003 6.7003 7.3389 7.3389 7.3389 7.3389 10.1697 10.1697 10.1697 10.1697 k = 0.5000 0.5000 0.6229 ( 5564 PWs) bands (ev): -19.5675 -19.5675 -19.5675 -19.5675 -19.1307 -19.1307 -19.1307 -19.1307 -16.3549 -16.3549 -16.3549 -16.3549 -10.2631 -10.2631 -10.2631 -10.2631 -7.9977 -7.9977 -7.9977 -7.9977 -7.8276 -7.8276 -7.8276 -7.8276 -7.3352 -7.3352 -7.3352 -7.3352 -4.2284 -4.2284 -4.2284 -4.2284 -3.8449 -3.8449 -3.8449 -3.8449 -3.0809 -3.0809 -3.0809 -3.0809 0.3434 0.3434 0.3434 0.3434 0.5674 0.5674 0.5674 0.5674 0.6184 0.6184 0.6184 0.6184 2.7194 2.7194 2.7194 2.7194 6.7047 6.7047 6.7047 6.7047 7.3912 7.3912 7.3912 7.3912 10.1553 10.1553 10.1553 10.1553 k = 0.5000 0.5000 0.6430 ( 5556 PWs) bands (ev): -19.5649 -19.5649 -19.5649 -19.5649 -19.1289 -19.1289 -19.1289 -19.1289 -16.3544 -16.3544 -16.3544 -16.3544 -10.2745 -10.2745 -10.2745 -10.2745 -7.9960 -7.9960 -7.9960 -7.9960 -7.8230 -7.8230 -7.8230 -7.8230 -7.3443 -7.3443 -7.3443 -7.3443 -4.2348 -4.2348 -4.2348 -4.2348 -3.8552 -3.8552 -3.8552 -3.8552 -3.0754 -3.0754 -3.0754 -3.0754 0.3404 0.3404 0.3404 0.3404 0.5612 0.5612 0.5612 0.5612 0.6341 0.6341 0.6341 0.6341 2.7093 2.7093 2.7093 2.7093 6.7087 6.7087 6.7087 6.7087 7.4402 7.4402 7.4402 7.4402 10.1412 10.1412 10.1412 10.1412 k = 0.5000 0.5000 0.6631 ( 5548 PWs) bands (ev): -19.5625 -19.5625 -19.5625 -19.5625 -19.1272 -19.1272 -19.1272 -19.1272 -16.3539 -16.3539 -16.3539 -16.3539 -10.2849 -10.2849 -10.2849 -10.2849 -7.9943 -7.9943 -7.9943 -7.9943 -7.8188 -7.8188 -7.8188 -7.8188 -7.3526 -7.3526 -7.3526 -7.3526 -4.2408 -4.2408 -4.2408 -4.2408 -3.8647 -3.8647 -3.8647 -3.8647 -3.0703 -3.0703 -3.0703 -3.0703 0.3377 0.3377 0.3377 0.3377 0.5554 0.5554 0.5554 0.5554 0.6486 0.6486 0.6486 0.6486 2.6999 2.6999 2.6999 2.6999 6.7125 6.7125 6.7125 6.7125 7.4858 7.4858 7.4858 7.4858 10.1278 10.1278 10.1278 10.1278 k = 0.5000 0.5000 0.6832 ( 5572 PWs) bands (ev): -19.5603 -19.5603 -19.5603 -19.5603 -19.1257 -19.1257 -19.1257 -19.1257 -16.3535 -16.3535 -16.3535 -16.3535 -10.2944 -10.2944 -10.2944 -10.2944 -7.9929 -7.9929 -7.9929 -7.9929 -7.8150 -7.8150 -7.8150 -7.8150 -7.3602 -7.3602 -7.3602 -7.3602 -4.2463 -4.2463 -4.2463 -4.2463 -3.8733 -3.8733 -3.8733 -3.8733 -3.0656 -3.0656 -3.0656 -3.0656 0.3353 0.3353 0.3353 0.3353 0.5501 0.5501 0.5501 0.5501 0.6616 0.6616 0.6616 0.6616 2.6913 2.6913 2.6913 2.6913 6.7160 6.7160 6.7160 6.7160 7.5275 7.5275 7.5275 7.5275 10.1152 10.1152 10.1152 10.1152 k = 0.5000 0.5000 0.7033 ( 5564 PWs) bands (ev): -19.5584 -19.5584 -19.5584 -19.5584 -19.1244 -19.1244 -19.1244 -19.1244 -16.3531 -16.3531 -16.3531 -16.3531 -10.3029 -10.3029 -10.3029 -10.3029 -7.9916 -7.9916 -7.9916 -7.9916 -7.8115 -7.8115 -7.8115 -7.8115 -7.3669 -7.3669 -7.3669 -7.3669 -4.2513 -4.2513 -4.2513 -4.2513 -3.8809 -3.8809 -3.8809 -3.8809 -3.0613 -3.0613 -3.0613 -3.0613 0.3330 0.3330 0.3330 0.3330 0.5454 0.5454 0.5454 0.5454 0.6732 0.6732 0.6732 0.6732 2.6835 2.6835 2.6835 2.6835 6.7192 6.7192 6.7192 6.7192 7.5651 7.5651 7.5651 7.5651 10.1037 10.1037 10.1037 10.1037 k = 0.5000 0.5000 0.7234 ( 5572 PWs) bands (ev): -19.5566 -19.5566 -19.5566 -19.5566 -19.1232 -19.1232 -19.1232 -19.1232 -16.3528 -16.3528 -16.3528 -16.3528 -10.3103 -10.3103 -10.3103 -10.3103 -7.9904 -7.9904 -7.9904 -7.9904 -7.8085 -7.8085 -7.8085 -7.8085 -7.3729 -7.3729 -7.3729 -7.3729 -4.2557 -4.2557 -4.2557 -4.2557 -3.8875 -3.8875 -3.8875 -3.8875 -3.0575 -3.0575 -3.0575 -3.0575 0.3311 0.3311 0.3311 0.3311 0.5413 0.5413 0.5413 0.5413 0.6834 0.6834 0.6834 0.6834 2.6767 2.6767 2.6767 2.6767 6.7220 6.7220 6.7220 6.7220 7.5983 7.5983 7.5983 7.5983 10.0934 10.0934 10.0934 10.0934 k = 0.5000 0.5000 0.7435 ( 5572 PWs) bands (ev): -19.5552 -19.5552 -19.5552 -19.5552 -19.1221 -19.1221 -19.1221 -19.1221 -16.3525 -16.3525 -16.3525 -16.3525 -10.3167 -10.3167 -10.3167 -10.3167 -7.9894 -7.9894 -7.9894 -7.9894 -7.8059 -7.8059 -7.8059 -7.8059 -7.3780 -7.3780 -7.3780 -7.3780 -4.2594 -4.2594 -4.2594 -4.2594 -3.8932 -3.8932 -3.8932 -3.8932 -3.0542 -3.0542 -3.0542 -3.0542 0.3294 0.3294 0.3294 0.3294 0.5379 0.5379 0.5379 0.5379 0.6920 0.6920 0.6920 0.6920 2.6708 2.6708 2.6708 2.6708 6.7244 6.7244 6.7244 6.7244 7.6269 7.6269 7.6269 7.6269 10.0844 10.0844 10.0844 10.0844 k = 0.5000 0.5000 0.7636 ( 5572 PWs) bands (ev): -19.5540 -19.5540 -19.5540 -19.5540 -19.1213 -19.1213 -19.1213 -19.1213 -16.3523 -16.3523 -16.3523 -16.3523 -10.3219 -10.3219 -10.3219 -10.3219 -7.9886 -7.9886 -7.9886 -7.9886 -7.8037 -7.8037 -7.8037 -7.8037 -7.3822 -7.3822 -7.3822 -7.3822 -4.2626 -4.2626 -4.2626 -4.2626 -3.8979 -3.8979 -3.8979 -3.8979 -3.0515 -3.0515 -3.0515 -3.0515 0.3281 0.3281 0.3281 0.3281 0.5350 0.5350 0.5350 0.5350 0.6990 0.6990 0.6990 0.6990 2.6660 2.6660 2.6660 2.6660 6.7264 6.7264 6.7264 6.7264 7.6506 7.6506 7.6506 7.6506 10.0769 10.0769 10.0769 10.0769 k = 0.5000 0.5000 0.7837 ( 5576 PWs) bands (ev): -19.5530 -19.5530 -19.5530 -19.5530 -19.1206 -19.1206 -19.1206 -19.1206 -16.3521 -16.3521 -16.3521 -16.3521 -10.3261 -10.3261 -10.3261 -10.3261 -7.9880 -7.9880 -7.9880 -7.9880 -7.8020 -7.8020 -7.8020 -7.8020 -7.3854 -7.3854 -7.3854 -7.3854 -4.2651 -4.2651 -4.2651 -4.2651 -3.9015 -3.9015 -3.9015 -3.9015 -3.0493 -3.0493 -3.0493 -3.0493 0.3270 0.3270 0.3270 0.3270 0.5328 0.5328 0.5328 0.5328 0.7045 0.7045 0.7045 0.7045 2.6621 2.6621 2.6621 2.6621 6.7280 6.7280 6.7280 6.7280 7.6692 7.6692 7.6692 7.6692 10.0710 10.0710 10.0710 10.0710 k = 0.5000 0.5000 0.8038 ( 5588 PWs) bands (ev): -19.5523 -19.5523 -19.5523 -19.5523 -19.1202 -19.1202 -19.1202 -19.1202 -16.3519 -16.3519 -16.3519 -16.3519 -10.3290 -10.3290 -10.3290 -10.3290 -7.9875 -7.9875 -7.9875 -7.9875 -7.8008 -7.8008 -7.8008 -7.8008 -7.3878 -7.3878 -7.3878 -7.3878 -4.2669 -4.2669 -4.2669 -4.2669 -3.9041 -3.9041 -3.9041 -3.9041 -3.0478 -3.0478 -3.0478 -3.0478 0.3262 0.3262 0.3262 0.3262 0.5312 0.5312 0.5312 0.5312 0.7084 0.7084 0.7084 0.7084 2.6594 2.6594 2.6594 2.6594 6.7291 6.7291 6.7291 6.7291 7.6827 7.6827 7.6827 7.6827 10.0667 10.0667 10.0667 10.0667 k = 0.5000 0.5000 0.8238 ( 5588 PWs) bands (ev): -19.5519 -19.5519 -19.5519 -19.5519 -19.1199 -19.1199 -19.1199 -19.1199 -16.3519 -16.3519 -16.3519 -16.3519 -10.3308 -10.3308 -10.3308 -10.3308 -7.9873 -7.9873 -7.9873 -7.9873 -7.8001 -7.8001 -7.8001 -7.8001 -7.3892 -7.3892 -7.3892 -7.3892 -4.2679 -4.2679 -4.2679 -4.2679 -3.9057 -3.9057 -3.9057 -3.9057 -3.0469 -3.0469 -3.0469 -3.0469 0.3257 0.3257 0.3257 0.3257 0.5303 0.5303 0.5303 0.5303 0.7108 0.7108 0.7108 0.7108 2.6577 2.6577 2.6577 2.6577 6.7298 6.7298 6.7298 6.7298 7.6908 7.6908 7.6908 7.6908 10.0641 10.0641 10.0641 10.0641 k = 0.5000 0.5000 0.8439 ( 5608 PWs) bands (ev): -19.5518 -19.5518 -19.5518 -19.5518 -19.1198 -19.1198 -19.1198 -19.1198 -16.3518 -16.3518 -16.3518 -16.3518 -10.3314 -10.3314 -10.3314 -10.3314 -7.9872 -7.9872 -7.9872 -7.9872 -7.7999 -7.7999 -7.7999 -7.7999 -7.3898 -7.3898 -7.3898 -7.3898 -4.2683 -4.2683 -4.2683 -4.2683 -3.9062 -3.9062 -3.9062 -3.9062 -3.0466 -3.0466 -3.0466 -3.0466 0.3256 0.3256 0.3256 0.3256 0.5300 0.5300 0.5300 0.5300 0.7116 0.7116 0.7116 0.7116 2.6572 2.6572 2.6572 2.6572 6.7300 6.7300 6.7300 6.7300 7.6935 7.6935 7.6935 7.6935 10.0632 10.0632 10.0632 10.0632 Writing output data file H4NClO2.save init_run : 1.20s CPU 0.75s WALL ( 1 calls) electrons : 425.05s CPU 334.24s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.16s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 425.04s CPU 334.22s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.22s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.54s CPU 0.57s WALL ( 307 calls) cegterg : 377.51s CPU 305.09s WALL ( 528 calls) Called by sum_band: Called by *egterg: h_psi : 231.15s CPU 159.79s WALL ( 8918 calls) s_psi : 12.45s CPU 9.03s WALL ( 8918 calls) g_psi : 0.50s CPU 0.41s WALL ( 8083 calls) cdiaghg : 129.10s CPU 120.41s WALL ( 8390 calls) cegterg:over : 17.45s CPU 14.29s WALL ( 8083 calls) cegterg:upda : 15.42s CPU 13.96s WALL ( 8083 calls) cegterg:last : 4.82s CPU 4.73s WALL ( 1147 calls) cdiaghg:chol : 7.27s CPU 7.00s WALL ( 8390 calls) cdiaghg:inve : 5.08s CPU 4.97s WALL ( 8390 calls) cdiaghg:para : 8.67s CPU 8.50s WALL ( 16780 calls) Called by h_psi: h_psi:vloc : 201.82s CPU 137.49s WALL ( 8918 calls) h_psi:vnl : 28.68s CPU 21.82s WALL ( 8918 calls) add_vuspsi : 15.10s CPU 10.97s WALL ( 8918 calls) General routines calbec : 13.56s CPU 10.82s WALL ( 8918 calls) fft : 0.06s CPU 0.04s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 190.45s CPU 128.31s WALL ( 1046464 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.26s CPU 1.74s WALL ( 614 calls) Parallel routines fft_scatter : 65.67s CPU 50.84s WALL ( 1046487 calls) PWSCF : 7m28.68s CPU 6m11.07s WALL This run was terminated on: 15:49: 0 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=