Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 23: 6:33 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./H3I3N2.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 60 34 9 3044 1311 193 Max 62 35 10 3049 1341 200 Sum 4333 2479 699 219359 95211 14125 bravais-lattice index = 14 lattice parameter (alat) = 14.1843 a.u. unit-cell volume = 2258.9029 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 3 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.184283 celldm(2)= 0.842526 celldm(3)= 0.950173 celldm(4)= 0.149535 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 0.842526 0.000000 ) a(3) = ( 0.000000 0.142084 0.939490 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.186907 -0.179503 ) b(3) = ( 0.000000 0.000000 1.064408 ) PseudoPot. # 1 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. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 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 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) I 7.00 126.90450 I( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 inversion 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 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 214 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046729 k( 2) = ( 0.0000000 0.0000000 0.0231393), wk = 0.0046729 k( 3) = ( 0.0000000 0.0000000 0.0462786), wk = 0.0046729 k( 4) = ( 0.0000000 0.0000000 0.0694179), wk = 0.0046729 k( 5) = ( 0.0000000 0.0000000 0.0925572), wk = 0.0046729 k( 6) = ( 0.0000000 0.0000000 0.1156965), wk = 0.0046729 k( 7) = ( 0.0000000 0.0000000 0.1388358), wk = 0.0046729 k( 8) = ( 0.0000000 0.0000000 0.1619751), wk = 0.0046729 k( 9) = ( 0.0000000 0.0000000 0.1851143), wk = 0.0046729 k( 10) = ( 0.0000000 0.0000000 0.2082536), wk = 0.0046729 k( 11) = ( 0.0000000 0.0000000 0.2313929), wk = 0.0046729 k( 12) = ( 0.0000000 0.0000000 0.2545322), wk = 0.0046729 k( 13) = ( 0.0000000 0.0000000 0.2776715), wk = 0.0046729 k( 14) = ( 0.0000000 0.0000000 0.3008108), wk = 0.0046729 k( 15) = ( 0.0000000 0.0000000 0.3239501), wk = 0.0046729 k( 16) = ( 0.0000000 0.0000000 0.3470894), wk = 0.0046729 k( 17) = ( 0.0000000 0.0000000 0.3702287), wk = 0.0046729 k( 18) = ( 0.0000000 0.0000000 0.3933680), wk = 0.0046729 k( 19) = ( 0.0000000 0.0000000 0.4165073), wk = 0.0046729 k( 20) = ( 0.0000000 0.0000000 0.4396466), wk = 0.0046729 k( 21) = ( 0.0000000 0.0000000 0.4627859), wk = 0.0046729 k( 22) = ( 0.0000000 0.0000000 0.4859252), wk = 0.0046729 k( 23) = ( 0.0000000 0.0000000 0.5090645), wk = 0.0046729 k( 24) = ( 0.0000000 0.0000000 0.5322038), wk = 0.0046729 k( 25) = ( 0.0000000 0.0000000 0.5322038), wk = 0.0046729 k( 26) = ( 0.0000000 0.0228930 0.5322038), wk = 0.0046729 k( 27) = ( 0.0000000 0.0457860 0.5322038), wk = 0.0046729 k( 28) = ( 0.0000000 0.0686790 0.5322038), wk = 0.0046729 k( 29) = ( 0.0000000 0.0915720 0.5322038), wk = 0.0046729 k( 30) = ( 0.0000000 0.1144650 0.5322038), wk = 0.0046729 k( 31) = ( 0.0000000 0.1373580 0.5322038), wk = 0.0046729 k( 32) = ( 0.0000000 0.1602510 0.5322037), wk = 0.0046729 k( 33) = ( 0.0000000 0.1831440 0.5322037), wk = 0.0046729 k( 34) = ( 0.0000000 0.2060370 0.5322037), wk = 0.0046729 k( 35) = ( 0.0000000 0.2289299 0.5322037), wk = 0.0046729 k( 36) = ( 0.0000000 0.2518229 0.5322037), wk = 0.0046729 k( 37) = ( 0.0000000 0.2747159 0.5322037), wk = 0.0046729 k( 38) = ( 0.0000000 0.2976089 0.5322038), wk = 0.0046729 k( 39) = ( 0.0000000 0.3205019 0.5322038), wk = 0.0046729 k( 40) = ( 0.0000000 0.3433949 0.5322038), wk = 0.0046729 k( 41) = ( 0.0000000 0.3662879 0.5322038), wk = 0.0046729 k( 42) = ( 0.0000000 0.3891809 0.5322038), wk = 0.0046729 k( 43) = ( 0.0000000 0.4120739 0.5322038), wk = 0.0046729 k( 44) = ( 0.0000000 0.4349669 0.5322037), wk = 0.0046729 k( 45) = ( 0.0000000 0.4578599 0.5322037), wk = 0.0046729 k( 46) = ( 0.0000000 0.4807529 0.5322037), wk = 0.0046729 k( 47) = ( 0.0000000 0.5036459 0.5322037), wk = 0.0046729 k( 48) = ( 0.0000000 0.5265389 0.5322037), wk = 0.0046729 k( 49) = ( 0.0000000 0.5265389 0.5322037), wk = 0.0046729 k( 50) = ( 0.0000000 0.5399218 0.5142535), wk = 0.0046729 k( 51) = ( 0.0000000 0.5533047 0.4963032), wk = 0.0046729 k( 52) = ( 0.0000000 0.5666877 0.4783529), wk = 0.0046729 k( 53) = ( 0.0000000 0.5800706 0.4604026), wk = 0.0046729 k( 54) = ( 0.0000000 0.5934535 0.4424523), wk = 0.0046729 k( 55) = ( 0.0000000 0.5934535 0.4424523), wk = 0.0046729 k( 56) = ( 0.0238095 0.5934535 0.4424523), wk = 0.0046729 k( 57) = ( 0.0476191 0.5934535 0.4424523), wk = 0.0046729 k( 58) = ( 0.0714286 0.5934535 0.4424523), wk = 0.0046729 k( 59) = ( 0.0952381 0.5934535 0.4424523), wk = 0.0046729 k( 60) = ( 0.1190476 0.5934535 0.4424523), wk = 0.0046729 k( 61) = ( 0.1428571 0.5934535 0.4424523), wk = 0.0046729 k( 62) = ( 0.1666667 0.5934535 0.4424523), wk = 0.0046729 k( 63) = ( 0.1904762 0.5934535 0.4424523), wk = 0.0046729 k( 64) = ( 0.2142857 0.5934535 0.4424523), wk = 0.0046729 k( 65) = ( 0.2380952 0.5934535 0.4424523), wk = 0.0046729 k( 66) = ( 0.2619048 0.5934535 0.4424523), wk = 0.0046729 k( 67) = ( 0.2857143 0.5934535 0.4424523), wk = 0.0046729 k( 68) = ( 0.3095238 0.5934535 0.4424523), wk = 0.0046729 k( 69) = ( 0.3333333 0.5934535 0.4424523), wk = 0.0046729 k( 70) = ( 0.3571429 0.5934535 0.4424523), wk = 0.0046729 k( 71) = ( 0.3809524 0.5934535 0.4424523), wk = 0.0046729 k( 72) = ( 0.4047619 0.5934535 0.4424523), wk = 0.0046729 k( 73) = ( 0.4285714 0.5934535 0.4424523), wk = 0.0046729 k( 74) = ( 0.4523810 0.5934535 0.4424523), wk = 0.0046729 k( 75) = ( 0.4761905 0.5934535 0.4424523), wk = 0.0046729 k( 76) = ( 0.5000000 0.5934535 0.4424523), wk = 0.0046729 k( 77) = ( 0.5000000 0.5934535 0.4424523), wk = 0.0046729 k( 78) = ( 0.5000000 0.6068364 0.4245021), wk = 0.0046729 k( 79) = ( 0.5000000 0.6202194 0.4065518), wk = 0.0046729 k( 80) = ( 0.5000000 0.6336023 0.3886015), wk = 0.0046729 k( 81) = ( 0.5000000 0.6469852 0.3706512), wk = 0.0046729 k( 82) = ( 0.5000000 0.6603681 0.3527009), wk = 0.0046729 k( 83) = ( 0.5000000 0.6603681 0.3527009), wk = 0.0046729 k( 84) = ( 0.5000000 0.6568463 0.3294140), wk = 0.0046729 k( 85) = ( 0.5000000 0.6533245 0.3061270), wk = 0.0046729 k( 86) = ( 0.5000000 0.6498027 0.2828400), wk = 0.0046729 k( 87) = ( 0.5000000 0.6462808 0.2595531), wk = 0.0046729 k( 88) = ( 0.5000000 0.6427590 0.2362661), wk = 0.0046729 k( 89) = ( 0.5000000 0.6392372 0.2129791), wk = 0.0046729 k( 90) = ( 0.5000000 0.6357154 0.1896922), wk = 0.0046729 k( 91) = ( 0.5000000 0.6321936 0.1664052), wk = 0.0046729 k( 92) = ( 0.5000000 0.6286717 0.1431182), wk = 0.0046729 k( 93) = ( 0.5000000 0.6251499 0.1198313), wk = 0.0046729 k( 94) = ( 0.5000000 0.6216281 0.0965443), wk = 0.0046729 k( 95) = ( 0.5000000 0.6181063 0.0732574), wk = 0.0046729 k( 96) = ( 0.5000000 0.6145844 0.0499704), wk = 0.0046729 k( 97) = ( 0.5000000 0.6110626 0.0266834), wk = 0.0046729 k( 98) = ( 0.5000000 0.6075408 0.0033965), wk = 0.0046729 k( 99) = ( 0.5000000 0.6040190 -0.0198905), wk = 0.0046729 k( 100) = ( 0.5000000 0.6004972 -0.0431775), wk = 0.0046729 k( 101) = ( 0.5000000 0.5969753 -0.0664644), wk = 0.0046729 k( 102) = ( 0.5000000 0.5934535 -0.0897514), wk = 0.0046729 k( 103) = ( 0.5000000 0.5934535 -0.0897514), wk = 0.0046729 k( 104) = ( 0.4761905 0.5934535 -0.0897514), wk = 0.0046729 k( 105) = ( 0.4523810 0.5934535 -0.0897514), wk = 0.0046729 k( 106) = ( 0.4285714 0.5934535 -0.0897514), wk = 0.0046729 k( 107) = ( 0.4047619 0.5934535 -0.0897514), wk = 0.0046729 k( 108) = ( 0.3809524 0.5934535 -0.0897514), wk = 0.0046729 k( 109) = ( 0.3571429 0.5934535 -0.0897514), wk = 0.0046729 k( 110) = ( 0.3333333 0.5934535 -0.0897514), wk = 0.0046729 k( 111) = ( 0.3095238 0.5934535 -0.0897514), wk = 0.0046729 k( 112) = ( 0.2857143 0.5934535 -0.0897514), wk = 0.0046729 k( 113) = ( 0.2619048 0.5934535 -0.0897514), wk = 0.0046729 k( 114) = ( 0.2380952 0.5934535 -0.0897514), wk = 0.0046729 k( 115) = ( 0.2142857 0.5934535 -0.0897514), wk = 0.0046729 k( 116) = ( 0.1904762 0.5934535 -0.0897514), wk = 0.0046729 k( 117) = ( 0.1666667 0.5934535 -0.0897514), wk = 0.0046729 k( 118) = ( 0.1428571 0.5934535 -0.0897514), wk = 0.0046729 k( 119) = ( 0.1190476 0.5934535 -0.0897514), wk = 0.0046729 k( 120) = ( 0.0952381 0.5934535 -0.0897514), wk = 0.0046729 k( 121) = ( 0.0714286 0.5934535 -0.0897514), wk = 0.0046729 k( 122) = ( 0.0476191 0.5934535 -0.0897514), wk = 0.0046729 k( 123) = ( 0.0238095 0.5934535 -0.0897514), wk = 0.0046729 k( 124) = ( 0.0000000 0.5934535 -0.0897514), wk = 0.0046729 k( 125) = ( 0.0000000 0.5934535 -0.0897514), wk = 0.0046729 k( 126) = ( 0.0000000 0.5969753 -0.0664644), wk = 0.0046729 k( 127) = ( 0.0000000 0.6004972 -0.0431775), wk = 0.0046729 k( 128) = ( 0.0000000 0.6040190 -0.0198905), wk = 0.0046729 k( 129) = ( 0.0000000 0.6075408 0.0033965), wk = 0.0046729 k( 130) = ( 0.0000000 0.6110626 0.0266834), wk = 0.0046729 k( 131) = ( 0.0000000 0.6145844 0.0499704), wk = 0.0046729 k( 132) = ( 0.0000000 0.6181063 0.0732574), wk = 0.0046729 k( 133) = ( 0.0000000 0.6216281 0.0965443), wk = 0.0046729 k( 134) = ( 0.0000000 0.6251499 0.1198313), wk = 0.0046729 k( 135) = ( 0.0000000 0.6286717 0.1431182), wk = 0.0046729 k( 136) = ( 0.0000000 0.6321936 0.1664052), wk = 0.0046729 k( 137) = ( 0.0000000 0.6357154 0.1896922), wk = 0.0046729 k( 138) = ( 0.0000000 0.6392372 0.2129791), wk = 0.0046729 k( 139) = ( 0.0000000 0.6427590 0.2362661), wk = 0.0046729 k( 140) = ( 0.0000000 0.6462808 0.2595531), wk = 0.0046729 k( 141) = ( 0.0000000 0.6498027 0.2828400), wk = 0.0046729 k( 142) = ( 0.0000000 0.6533245 0.3061270), wk = 0.0046729 k( 143) = ( 0.0000000 0.6568463 0.3294140), wk = 0.0046729 k( 144) = ( 0.0000000 0.6603681 0.3527009), wk = 0.0046729 k( 145) = ( 0.5000000 0.5265389 0.5322037), wk = 0.0046729 k( 146) = ( 0.5000000 0.5036459 0.5322037), wk = 0.0046729 k( 147) = ( 0.5000000 0.4807529 0.5322037), wk = 0.0046729 k( 148) = ( 0.5000000 0.4578599 0.5322037), wk = 0.0046729 k( 149) = ( 0.5000000 0.4349669 0.5322037), wk = 0.0046729 k( 150) = ( 0.5000000 0.4120739 0.5322038), wk = 0.0046729 k( 151) = ( 0.5000000 0.3891809 0.5322038), wk = 0.0046729 k( 152) = ( 0.5000000 0.3662879 0.5322038), wk = 0.0046729 k( 153) = ( 0.5000000 0.3433949 0.5322038), wk = 0.0046729 k( 154) = ( 0.5000000 0.3205019 0.5322038), wk = 0.0046729 k( 155) = ( 0.5000000 0.2976089 0.5322038), wk = 0.0046729 k( 156) = ( 0.5000000 0.2747159 0.5322037), wk = 0.0046729 k( 157) = ( 0.5000000 0.2518229 0.5322037), wk = 0.0046729 k( 158) = ( 0.5000000 0.2289299 0.5322037), wk = 0.0046729 k( 159) = ( 0.5000000 0.2060370 0.5322037), wk = 0.0046729 k( 160) = ( 0.5000000 0.1831440 0.5322037), wk = 0.0046729 k( 161) = ( 0.5000000 0.1602510 0.5322037), wk = 0.0046729 k( 162) = ( 0.5000000 0.1373580 0.5322038), wk = 0.0046729 k( 163) = ( 0.5000000 0.1144650 0.5322038), wk = 0.0046729 k( 164) = ( 0.5000000 0.0915720 0.5322038), wk = 0.0046729 k( 165) = ( 0.5000000 0.0686790 0.5322038), wk = 0.0046729 k( 166) = ( 0.5000000 0.0457860 0.5322038), wk = 0.0046729 k( 167) = ( 0.5000000 0.0228930 0.5322038), wk = 0.0046729 k( 168) = ( 0.5000000 -0.0000000 0.5322038), wk = 0.0046729 k( 169) = ( 0.5000000 -0.0000000 0.5322038), wk = 0.0046729 k( 170) = ( 0.5000000 -0.0000000 0.5090645), wk = 0.0046729 k( 171) = ( 0.5000000 -0.0000000 0.4859252), wk = 0.0046729 k( 172) = ( 0.5000000 -0.0000000 0.4627859), wk = 0.0046729 k( 173) = ( 0.5000000 -0.0000000 0.4396466), wk = 0.0046729 k( 174) = ( 0.5000000 -0.0000000 0.4165073), wk = 0.0046729 k( 175) = ( 0.5000000 -0.0000000 0.3933680), wk = 0.0046729 k( 176) = ( 0.5000000 -0.0000000 0.3702287), wk = 0.0046729 k( 177) = ( 0.5000000 -0.0000000 0.3470894), wk = 0.0046729 k( 178) = ( 0.5000000 -0.0000000 0.3239501), wk = 0.0046729 k( 179) = ( 0.5000000 -0.0000000 0.3008108), wk = 0.0046729 k( 180) = ( 0.5000000 -0.0000000 0.2776715), wk = 0.0046729 k( 181) = ( 0.5000000 -0.0000000 0.2545322), wk = 0.0046729 k( 182) = ( 0.5000000 -0.0000000 0.2313929), wk = 0.0046729 k( 183) = ( 0.5000000 -0.0000000 0.2082536), wk = 0.0046729 k( 184) = ( 0.5000000 -0.0000000 0.1851143), wk = 0.0046729 k( 185) = ( 0.5000000 -0.0000000 0.1619751), wk = 0.0046729 k( 186) = ( 0.5000000 -0.0000000 0.1388358), wk = 0.0046729 k( 187) = ( 0.5000000 -0.0000000 0.1156965), wk = 0.0046729 k( 188) = ( 0.5000000 -0.0000000 0.0925572), wk = 0.0046729 k( 189) = ( 0.5000000 -0.0000000 0.0694179), wk = 0.0046729 k( 190) = ( 0.5000000 -0.0000000 0.0462786), wk = 0.0046729 k( 191) = ( 0.5000000 -0.0000000 0.0231393), wk = 0.0046729 k( 192) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0046729 k( 193) = ( 0.0000000 0.0000000 0.5322038), wk = 0.0046729 k( 194) = ( 0.0238095 -0.0000000 0.5322038), wk = 0.0046729 k( 195) = ( 0.0476191 -0.0000000 0.5322038), wk = 0.0046729 k( 196) = ( 0.0714286 -0.0000000 0.5322038), wk = 0.0046729 k( 197) = ( 0.0952381 -0.0000000 0.5322038), wk = 0.0046729 k( 198) = ( 0.1190476 -0.0000000 0.5322038), wk = 0.0046729 k( 199) = ( 0.1428571 -0.0000000 0.5322038), wk = 0.0046729 k( 200) = ( 0.1666667 -0.0000000 0.5322038), wk = 0.0046729 k( 201) = ( 0.1904762 -0.0000000 0.5322038), wk = 0.0046729 k( 202) = ( 0.2142857 -0.0000000 0.5322038), wk = 0.0046729 k( 203) = ( 0.2380952 -0.0000000 0.5322038), wk = 0.0046729 k( 204) = ( 0.2619048 -0.0000000 0.5322038), wk = 0.0046729 k( 205) = ( 0.2857143 -0.0000000 0.5322038), wk = 0.0046729 k( 206) = ( 0.3095238 -0.0000000 0.5322038), wk = 0.0046729 k( 207) = ( 0.3333333 -0.0000000 0.5322038), wk = 0.0046729 k( 208) = ( 0.3571429 -0.0000000 0.5322038), wk = 0.0046729 k( 209) = ( 0.3809524 -0.0000000 0.5322038), wk = 0.0046729 k( 210) = ( 0.4047619 -0.0000000 0.5322038), wk = 0.0046729 k( 211) = ( 0.4285714 -0.0000000 0.5322038), wk = 0.0046729 k( 212) = ( 0.4523810 -0.0000000 0.5322038), wk = 0.0046729 k( 213) = ( 0.4761905 -0.0000000 0.5322038), wk = 0.0046729 k( 214) = ( 0.5000000 -0.0000000 0.5322038), wk = 0.0046729 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046729 k( 2) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0046729 k( 3) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0046729 k( 4) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0046729 k( 5) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0046729 k( 6) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0046729 k( 7) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0046729 k( 8) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0046729 k( 9) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0046729 k( 10) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0046729 k( 11) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0046729 k( 12) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0046729 k( 13) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0046729 k( 14) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0046729 k( 15) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0046729 k( 16) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0046729 k( 17) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0046729 k( 18) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0046729 k( 19) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0046729 k( 20) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0046729 k( 21) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0046729 k( 22) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0046729 k( 23) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0046729 k( 24) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046729 k( 25) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046729 k( 26) = ( 0.0000000 0.0192879 0.5032527), wk = 0.0046729 k( 27) = ( 0.0000000 0.0385759 0.5065055), wk = 0.0046729 k( 28) = ( 0.0000000 0.0578638 0.5097582), wk = 0.0046729 k( 29) = ( 0.0000000 0.0771518 0.5130110), wk = 0.0046729 k( 30) = ( 0.0000000 0.0964397 0.5162637), wk = 0.0046729 k( 31) = ( 0.0000000 0.1157277 0.5195164), wk = 0.0046729 k( 32) = ( 0.0000000 0.1350156 0.5227692), wk = 0.0046729 k( 33) = ( 0.0000000 0.1543035 0.5260219), wk = 0.0046729 k( 34) = ( 0.0000000 0.1735915 0.5292747), wk = 0.0046729 k( 35) = ( 0.0000000 0.1928794 0.5325274), wk = 0.0046729 k( 36) = ( 0.0000000 0.2121674 0.5357801), wk = 0.0046729 k( 37) = ( 0.0000000 0.2314553 0.5390329), wk = 0.0046729 k( 38) = ( 0.0000000 0.2507433 0.5422856), wk = 0.0046729 k( 39) = ( 0.0000000 0.2700312 0.5455384), wk = 0.0046729 k( 40) = ( 0.0000000 0.2893192 0.5487911), wk = 0.0046729 k( 41) = ( 0.0000000 0.3086071 0.5520438), wk = 0.0046729 k( 42) = ( 0.0000000 0.3278950 0.5552966), wk = 0.0046729 k( 43) = ( 0.0000000 0.3471830 0.5585493), wk = 0.0046729 k( 44) = ( 0.0000000 0.3664709 0.5618020), wk = 0.0046729 k( 45) = ( 0.0000000 0.3857589 0.5650548), wk = 0.0046729 k( 46) = ( 0.0000000 0.4050468 0.5683075), wk = 0.0046729 k( 47) = ( 0.0000000 0.4243347 0.5715603), wk = 0.0046729 k( 48) = ( 0.0000000 0.4436227 0.5748130), wk = 0.0046729 k( 49) = ( 0.0000000 0.4436227 0.5748130), wk = 0.0046729 k( 50) = ( 0.0000000 0.4548982 0.5598504), wk = 0.0046729 k( 51) = ( 0.0000000 0.4661736 0.5448878), wk = 0.0046729 k( 52) = ( 0.0000000 0.4774491 0.5299252), wk = 0.0046729 k( 53) = ( 0.0000000 0.4887245 0.5149626), wk = 0.0046729 k( 54) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0046729 k( 55) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0046729 k( 56) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0046729 k( 57) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0046729 k( 58) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0046729 k( 59) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0046729 k( 60) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0046729 k( 61) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0046729 k( 62) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0046729 k( 63) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0046729 k( 64) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0046729 k( 65) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0046729 k( 66) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0046729 k( 67) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0046729 k( 68) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0046729 k( 69) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0046729 k( 70) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0046729 k( 71) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0046729 k( 72) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0046729 k( 73) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0046729 k( 74) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0046729 k( 75) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0046729 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046729 k( 77) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046729 k( 78) = ( 0.5000000 0.5112755 0.4850374), wk = 0.0046729 k( 79) = ( 0.5000000 0.5225509 0.4700748), wk = 0.0046729 k( 80) = ( 0.5000000 0.5338264 0.4551122), wk = 0.0046729 k( 81) = ( 0.5000000 0.5451018 0.4401496), wk = 0.0046729 k( 82) = ( 0.5000000 0.5563773 0.4251870), wk = 0.0046729 k( 83) = ( 0.5000000 0.5563773 0.4251870), wk = 0.0046729 k( 84) = ( 0.5000000 0.5534101 0.4028087), wk = 0.0046729 k( 85) = ( 0.5000000 0.5504429 0.3804305), wk = 0.0046729 k( 86) = ( 0.5000000 0.5474756 0.3580522), wk = 0.0046729 k( 87) = ( 0.5000000 0.5445084 0.3356740), wk = 0.0046729 k( 88) = ( 0.5000000 0.5415412 0.3132957), wk = 0.0046729 k( 89) = ( 0.5000000 0.5385739 0.2909174), wk = 0.0046729 k( 90) = ( 0.5000000 0.5356067 0.2685392), wk = 0.0046729 k( 91) = ( 0.5000000 0.5326395 0.2461609), wk = 0.0046729 k( 92) = ( 0.5000000 0.5296723 0.2237826), wk = 0.0046729 k( 93) = ( 0.5000000 0.5267050 0.2014044), wk = 0.0046729 k( 94) = ( 0.5000000 0.5237378 0.1790261), wk = 0.0046729 k( 95) = ( 0.5000000 0.5207706 0.1566478), wk = 0.0046729 k( 96) = ( 0.5000000 0.5178034 0.1342696), wk = 0.0046729 k( 97) = ( 0.5000000 0.5148361 0.1118913), wk = 0.0046729 k( 98) = ( 0.5000000 0.5118689 0.0895130), wk = 0.0046729 k( 99) = ( 0.5000000 0.5089017 0.0671348), wk = 0.0046729 k( 100) = ( 0.5000000 0.5059345 0.0447565), wk = 0.0046729 k( 101) = ( 0.5000000 0.5029672 0.0223783), wk = 0.0046729 k( 102) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046729 k( 103) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046729 k( 104) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0046729 k( 105) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0046729 k( 106) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0046729 k( 107) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0046729 k( 108) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0046729 k( 109) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0046729 k( 110) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0046729 k( 111) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0046729 k( 112) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0046729 k( 113) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0046729 k( 114) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0046729 k( 115) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0046729 k( 116) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0046729 k( 117) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0046729 k( 118) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0046729 k( 119) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0046729 k( 120) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0046729 k( 121) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0046729 k( 122) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0046729 k( 123) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0046729 k( 124) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046729 k( 125) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046729 k( 126) = ( 0.0000000 0.5029672 0.0223783), wk = 0.0046729 k( 127) = ( 0.0000000 0.5059345 0.0447565), wk = 0.0046729 k( 128) = ( 0.0000000 0.5089017 0.0671348), wk = 0.0046729 k( 129) = ( 0.0000000 0.5118689 0.0895130), wk = 0.0046729 k( 130) = ( 0.0000000 0.5148361 0.1118913), wk = 0.0046729 k( 131) = ( 0.0000000 0.5178034 0.1342696), wk = 0.0046729 k( 132) = ( 0.0000000 0.5207706 0.1566478), wk = 0.0046729 k( 133) = ( 0.0000000 0.5237378 0.1790261), wk = 0.0046729 k( 134) = ( 0.0000000 0.5267050 0.2014044), wk = 0.0046729 k( 135) = ( 0.0000000 0.5296723 0.2237826), wk = 0.0046729 k( 136) = ( 0.0000000 0.5326395 0.2461609), wk = 0.0046729 k( 137) = ( 0.0000000 0.5356067 0.2685392), wk = 0.0046729 k( 138) = ( 0.0000000 0.5385739 0.2909174), wk = 0.0046729 k( 139) = ( 0.0000000 0.5415412 0.3132957), wk = 0.0046729 k( 140) = ( 0.0000000 0.5445084 0.3356740), wk = 0.0046729 k( 141) = ( 0.0000000 0.5474756 0.3580522), wk = 0.0046729 k( 142) = ( 0.0000000 0.5504429 0.3804305), wk = 0.0046729 k( 143) = ( 0.0000000 0.5534101 0.4028087), wk = 0.0046729 k( 144) = ( 0.0000000 0.5563773 0.4251870), wk = 0.0046729 k( 145) = ( 0.5000000 0.4436227 0.5748130), wk = 0.0046729 k( 146) = ( 0.5000000 0.4243348 0.5715603), wk = 0.0046729 k( 147) = ( 0.5000000 0.4050468 0.5683075), wk = 0.0046729 k( 148) = ( 0.5000000 0.3857589 0.5650548), wk = 0.0046729 k( 149) = ( 0.5000000 0.3664709 0.5618020), wk = 0.0046729 k( 150) = ( 0.5000000 0.3471830 0.5585493), wk = 0.0046729 k( 151) = ( 0.5000000 0.3278950 0.5552966), wk = 0.0046729 k( 152) = ( 0.5000000 0.3086071 0.5520438), wk = 0.0046729 k( 153) = ( 0.5000000 0.2893192 0.5487911), wk = 0.0046729 k( 154) = ( 0.5000000 0.2700312 0.5455383), wk = 0.0046729 k( 155) = ( 0.5000000 0.2507433 0.5422856), wk = 0.0046729 k( 156) = ( 0.5000000 0.2314553 0.5390329), wk = 0.0046729 k( 157) = ( 0.5000000 0.2121674 0.5357801), wk = 0.0046729 k( 158) = ( 0.5000000 0.1928794 0.5325274), wk = 0.0046729 k( 159) = ( 0.5000000 0.1735915 0.5292747), wk = 0.0046729 k( 160) = ( 0.5000000 0.1543035 0.5260219), wk = 0.0046729 k( 161) = ( 0.5000000 0.1350156 0.5227692), wk = 0.0046729 k( 162) = ( 0.5000000 0.1157277 0.5195164), wk = 0.0046729 k( 163) = ( 0.5000000 0.0964397 0.5162637), wk = 0.0046729 k( 164) = ( 0.5000000 0.0771518 0.5130110), wk = 0.0046729 k( 165) = ( 0.5000000 0.0578638 0.5097582), wk = 0.0046729 k( 166) = ( 0.5000000 0.0385759 0.5065055), wk = 0.0046729 k( 167) = ( 0.5000000 0.0192879 0.5032527), wk = 0.0046729 k( 168) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0046729 k( 169) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0046729 k( 170) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0046729 k( 171) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0046729 k( 172) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0046729 k( 173) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0046729 k( 174) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0046729 k( 175) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0046729 k( 176) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0046729 k( 177) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0046729 k( 178) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0046729 k( 179) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0046729 k( 180) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0046729 k( 181) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0046729 k( 182) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0046729 k( 183) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0046729 k( 184) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0046729 k( 185) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0046729 k( 186) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0046729 k( 187) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0046729 k( 188) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0046729 k( 189) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0046729 k( 190) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0046729 k( 191) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0046729 k( 192) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0046729 k( 193) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046729 k( 194) = ( 0.0238095 -0.0000000 0.5000000), wk = 0.0046729 k( 195) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0046729 k( 196) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0046729 k( 197) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0046729 k( 198) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0046729 k( 199) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0046729 k( 200) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0046729 k( 201) = ( 0.1904762 -0.0000000 0.5000000), wk = 0.0046729 k( 202) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0046729 k( 203) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0046729 k( 204) = ( 0.2619048 -0.0000000 0.5000000), wk = 0.0046729 k( 205) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0046729 k( 206) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0046729 k( 207) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0046729 k( 208) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0046729 k( 209) = ( 0.3809524 -0.0000000 0.5000000), wk = 0.0046729 k( 210) = ( 0.4047619 -0.0000000 0.5000000), wk = 0.0046729 k( 211) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0046729 k( 212) = ( 0.4523810 -0.0000000 0.5000000), wk = 0.0046729 k( 213) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0046729 k( 214) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0046729 Dense grid: 219359 G-vectors FFT dimensions: ( 81, 72, 80) Smooth grid: 95211 G-vectors FFT dimensions: ( 64, 54, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.44 Mb ( 350, 82) NL pseudopotentials 0.73 Mb ( 175, 272) Each V/rho on FFT grid 0.18 Mb ( 11664) Each G-vector array 0.02 Mb ( 3045) G-vector shells 0.02 Mb ( 2905) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.75 Mb ( 350, 328) Each subspace H/S matrix 0.04 Mb ( 54, 54) Each matrix 0.68 Mb ( 272, 2, 82) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./H3I3N2.save/charge-density.dat Starting wfc are 92 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 6.1 secs Computing kpt #: 4 total cpu time spent up to now is 7.5 secs Computing kpt #: 5 total cpu time spent up to now is 8.9 secs Computing kpt #: 6 total cpu time spent up to now is 10.4 secs Computing kpt #: 7 total cpu time spent up to now is 11.8 secs Computing kpt #: 8 total cpu time spent up to now is 13.2 secs Computing kpt #: 9 total cpu time spent up to now is 14.6 secs Computing kpt #: 10 total cpu time spent up to now is 16.0 secs Computing kpt #: 11 total cpu time spent up to now is 17.4 secs Computing kpt #: 12 total cpu time spent up to now is 18.8 secs Computing kpt #: 13 total cpu time spent up to now is 20.3 secs Computing kpt #: 14 total cpu time spent up to now is 21.7 secs Computing kpt #: 15 total cpu time spent up to now is 23.1 secs Computing kpt #: 16 total cpu time spent up to now is 24.5 secs Computing kpt #: 17 total cpu time spent up to now is 25.9 secs Computing kpt #: 18 total cpu time spent up to now is 27.3 secs Computing kpt #: 19 total cpu time spent up to now is 28.7 secs Computing kpt #: 20 total cpu time spent up to now is 30.3 secs Computing kpt #: 21 total cpu time spent up to now is 31.8 secs Computing kpt #: 22 total cpu time spent up to now is 33.2 secs Computing kpt #: 23 total cpu time spent up to now is 34.7 secs Computing kpt #: 24 total cpu time spent up to now is 36.2 secs Computing kpt #: 25 total cpu time spent up to now is 37.7 secs Computing kpt #: 26 total cpu time spent up to now is 39.2 secs Computing kpt #: 27 total cpu time spent up to now is 40.6 secs Computing kpt #: 28 total cpu time spent up to now is 42.1 secs Computing kpt #: 29 total cpu time spent up to now is 43.6 secs Computing kpt #: 30 total cpu time spent up to now is 45.2 secs Computing kpt #: 31 total cpu time spent up to now is 46.7 secs Computing kpt #: 32 total cpu time spent up to now is 48.2 secs Computing kpt #: 33 total cpu time spent up to now is 49.8 secs Computing kpt #: 34 total cpu time spent up to now is 51.4 secs Computing kpt #: 35 total cpu time spent up to now is 53.1 secs Computing kpt #: 36 total cpu time spent up to now is 54.7 secs Computing kpt #: 37 total cpu time spent up to now is 56.4 secs Computing kpt #: 38 total cpu time spent up to now is 58.2 secs Computing kpt #: 39 total cpu time spent up to now is 59.7 secs Computing kpt #: 40 total cpu time spent up to now is 61.3 secs Computing kpt #: 41 total cpu time spent up to now is 62.8 secs Computing kpt #: 42 total cpu time spent up to now is 64.3 secs Computing kpt #: 43 total cpu time spent up to now is 65.8 secs Computing kpt #: 44 total cpu time spent up to now is 67.3 secs Computing kpt #: 45 total cpu time spent up to now is 68.8 secs Computing kpt #: 46 total cpu time spent up to now is 70.3 secs Computing kpt #: 47 total cpu time spent up to now is 71.8 secs Computing kpt #: 48 total cpu time spent up to now is 73.3 secs Computing kpt #: 49 total cpu time spent up to now is 74.8 secs Computing kpt #: 50 total cpu time spent up to now is 76.3 secs Computing kpt #: 51 total cpu time spent up to now is 77.7 secs Computing kpt #: 52 total cpu time spent up to now is 79.1 secs Computing kpt #: 53 total cpu time spent up to now is 80.6 secs Computing kpt #: 54 total cpu time spent up to now is 82.1 secs Computing kpt #: 55 total cpu time spent up to now is 83.6 secs Computing kpt #: 56 total cpu time spent up to now is 85.0 secs Computing kpt #: 57 total cpu time spent up to now is 86.5 secs Computing kpt #: 58 total cpu time spent up to now is 88.0 secs Computing kpt #: 59 total cpu time spent up to now is 89.5 secs Computing kpt #: 60 total cpu time spent up to now is 91.0 secs Computing kpt #: 61 total cpu time spent up to now is 92.5 secs Computing kpt #: 62 total cpu time spent up to now is 94.0 secs Computing kpt #: 63 total cpu time spent up to now is 95.5 secs Computing kpt #: 64 total cpu time spent up to now is 97.1 secs Computing kpt #: 65 total cpu time spent up to now is 98.7 secs Computing kpt #: 66 total cpu time spent up to now is 100.3 secs Computing kpt #: 67 total cpu time spent up to now is 102.0 secs Computing kpt #: 68 total cpu time spent up to now is 103.7 secs Computing kpt #: 69 total cpu time spent up to now is 105.5 secs Computing kpt #: 70 total cpu time spent up to now is 107.3 secs Computing kpt #: 71 total cpu time spent up to now is 109.1 secs Computing kpt #: 72 total cpu time spent up to now is 110.9 secs Computing kpt #: 73 total cpu time spent up to now is 112.7 secs Computing kpt #: 74 total cpu time spent up to now is 114.7 secs Computing kpt #: 75 total cpu time spent up to now is 116.6 secs Computing kpt #: 76 total cpu time spent up to now is 118.5 secs Computing kpt #: 77 total cpu time spent up to now is 120.8 secs Computing kpt #: 78 total cpu time spent up to now is 122.7 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 127.6 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 132.5 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 137.2 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 141.9 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 146.6 secs Computing kpt #: 84 total cpu time spent up to now is 148.5 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 153.2 secs Computing kpt #: 86 total cpu time spent up to now is 156.8 secs Computing kpt #: 87 total cpu time spent up to now is 159.3 secs Computing kpt #: 88 total cpu time spent up to now is 161.2 secs Computing kpt #: 89 total cpu time spent up to now is 163.1 secs Computing kpt #: 90 total cpu time spent up to now is 165.1 secs Computing kpt #: 91 total cpu time spent up to now is 167.1 secs Computing kpt #: 92 total cpu time spent up to now is 169.0 secs Computing kpt #: 93 total cpu time spent up to now is 171.0 secs Computing kpt #: 94 total cpu time spent up to now is 173.0 secs Computing kpt #: 95 total cpu time spent up to now is 174.9 secs Computing kpt #: 96 total cpu time spent up to now is 176.8 secs Computing kpt #: 97 total cpu time spent up to now is 178.8 secs Computing kpt #: 98 total cpu time spent up to now is 180.8 secs Computing kpt #: 99 total cpu time spent up to now is 182.8 secs Computing kpt #: 100 total cpu time spent up to now is 184.8 secs Computing kpt #: 101 total cpu time spent up to now is 186.8 secs Computing kpt #: 102 total cpu time spent up to now is 188.3 secs Computing kpt #: 103 total cpu time spent up to now is 189.7 secs Computing kpt #: 104 total cpu time spent up to now is 191.6 secs Computing kpt #: 105 total cpu time spent up to now is 193.5 secs Computing kpt #: 106 total cpu time spent up to now is 195.4 secs Computing kpt #: 107 total cpu time spent up to now is 197.2 secs Computing kpt #: 108 total cpu time spent up to now is 199.0 secs Computing kpt #: 109 total cpu time spent up to now is 200.9 secs Computing kpt #: 110 total cpu time spent up to now is 202.7 secs Computing kpt #: 111 total cpu time spent up to now is 204.5 secs Computing kpt #: 112 total cpu time spent up to now is 206.3 secs Computing kpt #: 113 total cpu time spent up to now is 208.2 secs Computing kpt #: 114 total cpu time spent up to now is 210.0 secs Computing kpt #: 115 total cpu time spent up to now is 211.8 secs Computing kpt #: 116 total cpu time spent up to now is 213.6 secs Computing kpt #: 117 total cpu time spent up to now is 215.4 secs Computing kpt #: 118 total cpu time spent up to now is 217.1 secs Computing kpt #: 119 total cpu time spent up to now is 218.6 secs Computing kpt #: 120 total cpu time spent up to now is 220.2 secs Computing kpt #: 121 total cpu time spent up to now is 221.7 secs Computing kpt #: 122 total cpu time spent up to now is 223.2 secs Computing kpt #: 123 total cpu time spent up to now is 224.6 secs Computing kpt #: 124 total cpu time spent up to now is 226.1 secs Computing kpt #: 125 total cpu time spent up to now is 228.1 secs Computing kpt #: 126 total cpu time spent up to now is 229.6 secs Computing kpt #: 127 total cpu time spent up to now is 231.1 secs Computing kpt #: 128 total cpu time spent up to now is 232.6 secs Computing kpt #: 129 total cpu time spent up to now is 234.2 secs Computing kpt #: 130 total cpu time spent up to now is 235.7 secs Computing kpt #: 131 total cpu time spent up to now is 237.4 secs Computing kpt #: 132 total cpu time spent up to now is 239.1 secs Computing kpt #: 133 total cpu time spent up to now is 240.6 secs Computing kpt #: 134 total cpu time spent up to now is 242.0 secs Computing kpt #: 135 total cpu time spent up to now is 243.5 secs Computing kpt #: 136 total cpu time spent up to now is 244.9 secs Computing kpt #: 137 total cpu time spent up to now is 246.4 secs Computing kpt #: 138 total cpu time spent up to now is 247.9 secs Computing kpt #: 139 total cpu time spent up to now is 249.3 secs Computing kpt #: 140 total cpu time spent up to now is 250.8 secs Computing kpt #: 141 total cpu time spent up to now is 252.3 secs Computing kpt #: 142 total cpu time spent up to now is 253.8 secs Computing kpt #: 143 total cpu time spent up to now is 255.3 secs Computing kpt #: 144 total cpu time spent up to now is 256.8 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 261.5 secs Computing kpt #: 146 total cpu time spent up to now is 265.3 secs Computing kpt #: 147 total cpu time spent up to now is 269.0 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 273.8 secs Computing kpt #: 149 total cpu time spent up to now is 275.7 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 280.5 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 285.2 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.8 secs Computing kpt #: 153 total cpu time spent up to now is 292.2 secs Computing kpt #: 154 total cpu time spent up to now is 294.3 secs Computing kpt #: 155 total cpu time spent up to now is 296.4 secs Computing kpt #: 156 total cpu time spent up to now is 298.5 secs Computing kpt #: 157 total cpu time spent up to now is 300.4 secs Computing kpt #: 158 total cpu time spent up to now is 302.3 secs Computing kpt #: 159 total cpu time spent up to now is 304.2 secs Computing kpt #: 160 total cpu time spent up to now is 306.0 secs Computing kpt #: 161 total cpu time spent up to now is 307.8 secs Computing kpt #: 162 total cpu time spent up to now is 309.6 secs Computing kpt #: 163 total cpu time spent up to now is 311.6 secs Computing kpt #: 164 total cpu time spent up to now is 313.4 secs Computing kpt #: 165 total cpu time spent up to now is 315.3 secs Computing kpt #: 166 total cpu time spent up to now is 317.2 secs Computing kpt #: 167 total cpu time spent up to now is 320.3 secs Computing kpt #: 168 total cpu time spent up to now is 321.9 secs Computing kpt #: 169 total cpu time spent up to now is 323.6 secs Computing kpt #: 170 total cpu time spent up to now is 325.6 secs Computing kpt #: 171 total cpu time spent up to now is 327.5 secs Computing kpt #: 172 total cpu time spent up to now is 329.3 secs Computing kpt #: 173 total cpu time spent up to now is 331.2 secs Computing kpt #: 174 total cpu time spent up to now is 333.0 secs Computing kpt #: 175 total cpu time spent up to now is 334.8 secs Computing kpt #: 176 total cpu time spent up to now is 336.6 secs Computing kpt #: 177 total cpu time spent up to now is 338.5 secs Computing kpt #: 178 total cpu time spent up to now is 340.3 secs Computing kpt #: 179 total cpu time spent up to now is 342.1 secs Computing kpt #: 180 total cpu time spent up to now is 343.9 secs Computing kpt #: 181 total cpu time spent up to now is 345.6 secs Computing kpt #: 182 total cpu time spent up to now is 347.4 secs Computing kpt #: 183 total cpu time spent up to now is 349.2 secs Computing kpt #: 184 total cpu time spent up to now is 351.0 secs Computing kpt #: 185 total cpu time spent up to now is 352.8 secs Computing kpt #: 186 total cpu time spent up to now is 354.5 secs Computing kpt #: 187 total cpu time spent up to now is 356.3 secs Computing kpt #: 188 total cpu time spent up to now is 358.1 secs Computing kpt #: 189 total cpu time spent up to now is 359.9 secs Computing kpt #: 190 total cpu time spent up to now is 361.7 secs Computing kpt #: 191 total cpu time spent up to now is 363.5 secs Computing kpt #: 192 total cpu time spent up to now is 365.0 secs Computing kpt #: 193 total cpu time spent up to now is 366.6 secs Computing kpt #: 194 total cpu time spent up to now is 368.2 secs Computing kpt #: 195 total cpu time spent up to now is 369.7 secs Computing kpt #: 196 total cpu time spent up to now is 371.2 secs Computing kpt #: 197 total cpu time spent up to now is 372.7 secs Computing kpt #: 198 total cpu time spent up to now is 374.2 secs Computing kpt #: 199 total cpu time spent up to now is 375.8 secs Computing kpt #: 200 total cpu time spent up to now is 377.2 secs Computing kpt #: 201 total cpu time spent up to now is 378.7 secs Computing kpt #: 202 total cpu time spent up to now is 380.2 secs Computing kpt #: 203 total cpu time spent up to now is 381.7 secs Computing kpt #: 204 total cpu time spent up to now is 383.2 secs Computing kpt #: 205 total cpu time spent up to now is 384.8 secs Computing kpt #: 206 total cpu time spent up to now is 386.3 secs Computing kpt #: 207 total cpu time spent up to now is 387.9 secs Computing kpt #: 208 total cpu time spent up to now is 389.4 secs Computing kpt #: 209 total cpu time spent up to now is 391.2 secs Computing kpt #: 210 total cpu time spent up to now is 393.0 secs Computing kpt #: 211 total cpu time spent up to now is 394.8 secs Computing kpt #: 212 total cpu time spent up to now is 396.7 secs Computing kpt #: 213 total cpu time spent up to now is 398.7 secs Computing kpt #: 214 total cpu time spent up to now is 400.5 secs ethr = 1.47E-08, avg # of iterations = 27.8 total cpu time spent up to now is 400.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11869 PWs) bands (ev): -13.6784 -13.6784 -13.6048 -13.6048 -13.1845 -13.1845 -12.8738 -12.8738 -9.5493 -9.5493 -9.3379 -9.3379 -9.2951 -9.2951 -9.2521 -9.2521 -8.4970 -8.4970 -7.3112 -7.3112 -4.1641 -4.1641 -4.0534 -4.0534 -3.9409 -3.9409 -3.8846 -3.8846 -2.8834 -2.8834 -2.7137 -2.7137 -2.3521 -2.3521 -2.2604 -2.2604 -1.4341 -1.4341 -0.3213 -0.3213 -0.2076 -0.2076 0.1934 0.1934 0.4324 0.4324 0.7393 0.7393 1.1239 1.1239 1.4882 1.4882 1.5387 1.5387 1.6357 1.6357 1.9009 1.9009 2.0944 2.0944 2.1787 2.1787 2.2796 2.2796 2.3553 2.3553 2.4882 2.4882 4.0293 4.0293 4.9968 4.9968 5.9830 5.9830 6.1652 6.1652 6.7924 6.7924 6.8987 6.8987 7.0399 7.0399 k = 0.0000 0.0000 0.0231 ( 11862 PWs) bands (ev): -13.6782 -13.6782 -13.6047 -13.6047 -13.1848 -13.1848 -12.8738 -12.8738 -9.5492 -9.5492 -9.3377 -9.3377 -9.2951 -9.2951 -9.2521 -9.2521 -8.4974 -8.4974 -7.3112 -7.3112 -4.1640 -4.1640 -4.0536 -4.0536 -3.9408 -3.9408 -3.8845 -3.8845 -2.8837 -2.8837 -2.7140 -2.7140 -2.3529 -2.3529 -2.2599 -2.2599 -1.4340 -1.4340 -0.3207 -0.3207 -0.2054 -0.2054 0.1957 0.1957 0.4338 0.4338 0.7399 0.7399 1.1219 1.1219 1.4857 1.4857 1.5373 1.5373 1.6349 1.6349 1.8995 1.8995 2.0936 2.0936 2.1768 2.1768 2.2822 2.2822 2.3553 2.3553 2.4882 2.4882 4.0282 4.0282 4.9973 4.9973 5.9818 5.9818 6.1699 6.1699 6.7785 6.7785 6.9125 6.9125 7.0396 7.0396 k = 0.0000 0.0000 0.0463 ( 11868 PWs) bands (ev): -13.6776 -13.6776 -13.6047 -13.6047 -13.1855 -13.1855 -12.8741 -12.8741 -9.5486 -9.5486 -9.3372 -9.3372 -9.2950 -9.2950 -9.2521 -9.2521 -8.4987 -8.4987 -7.3110 -7.3110 -4.1637 -4.1637 -4.0541 -4.0541 -3.9406 -3.9406 -3.8841 -3.8841 -2.8844 -2.8844 -2.7149 -2.7149 -2.3554 -2.3554 -2.2585 -2.2585 -1.4335 -1.4335 -0.3188 -0.3188 -0.1987 -0.1987 0.2027 0.2027 0.4379 0.4379 0.7415 0.7415 1.1161 1.1161 1.4784 1.4784 1.5331 1.5331 1.6324 1.6324 1.8950 1.8950 2.0913 2.0913 2.1721 2.1721 2.2883 2.2883 2.3559 2.3559 2.4883 2.4883 4.0250 4.0250 4.9987 4.9987 5.9785 5.9785 6.1833 6.1833 6.7486 6.7486 6.9423 6.9423 7.0389 7.0389 k = 0.0000 0.0000 0.0694 ( 11869 PWs) bands (ev): -13.6766 -13.6766 -13.6046 -13.6046 -13.1866 -13.1866 -12.8744 -12.8744 -9.5477 -9.5477 -9.3364 -9.3364 -9.2949 -9.2949 -9.2520 -9.2520 -8.5007 -8.5007 -7.3107 -7.3107 -4.1633 -4.1633 -4.0549 -4.0549 -3.9402 -3.9402 -3.8836 -3.8836 -2.8855 -2.8855 -2.7163 -2.7163 -2.3593 -2.3593 -2.2564 -2.2564 -1.4328 -1.4328 -0.3153 -0.3153 -0.1879 -0.1879 0.2141 0.2141 0.4447 0.4447 0.7443 0.7443 1.1064 1.1064 1.4666 1.4666 1.5264 1.5264 1.6282 1.6282 1.8871 1.8871 2.0882 2.0882 2.1661 2.1661 2.2938 2.2938 2.3590 2.3590 2.4885 2.4885 4.0202 4.0202 5.0009 5.0009 5.9741 5.9741 6.2041 6.2041 6.7143 6.7143 6.9767 6.9767 7.0378 7.0378 k = 0.0000 0.0000 0.0926 ( 11865 PWs) bands (ev): -13.6751 -13.6751 -13.6046 -13.6046 -13.1882 -13.1882 -12.8749 -12.8749 -9.5465 -9.5465 -9.3353 -9.3353 -9.2947 -9.2947 -9.2520 -9.2520 -8.5035 -8.5035 -7.3102 -7.3102 -4.1627 -4.1627 -4.0560 -4.0560 -3.9397 -3.9397 -3.8828 -3.8828 -2.8871 -2.8871 -2.7183 -2.7183 -2.3642 -2.3642 -2.2539 -2.2539 -1.4319 -1.4319 -0.3099 -0.3099 -0.1732 -0.1732 0.2296 0.2296 0.4542 0.4542 0.7481 0.7481 1.0932 1.0932 1.4506 1.4506 1.5175 1.5175 1.6219 1.6219 1.8757 1.8757 2.0845 2.0845 2.1603 2.1603 2.2944 2.2944 2.3668 2.3668 2.4889 2.4889 4.0141 4.0141 5.0035 5.0035 5.9694 5.9694 6.2308 6.2308 6.6799 6.6799 7.0108 7.0108 7.0372 7.0372 k = 0.0000 0.0000 0.1157 ( 11873 PWs) bands (ev): -13.6733 -13.6733 -13.6045 -13.6045 -13.1903 -13.1903 -12.8755 -12.8755 -9.5450 -9.5450 -9.3339 -9.3339 -9.2945 -9.2945 -9.2519 -9.2519 -8.5071 -8.5071 -7.3097 -7.3097 -4.1620 -4.1620 -4.0574 -4.0574 -3.9390 -3.9390 -3.8819 -3.8819 -2.8891 -2.8891 -2.7206 -2.7206 -2.3698 -2.3698 -2.2513 -2.2513 -1.4307 -1.4307 -0.3022 -0.3022 -0.1549 -0.1549 0.2489 0.2489 0.4662 0.4662 0.7530 0.7530 1.0768 1.0768 1.4309 1.4309 1.5068 1.5068 1.6135 1.6135 1.8604 1.8604 2.0807 2.0807 2.1552 2.1552 2.2887 2.2887 2.3796 2.3796 2.4897 2.4897 4.0074 4.0074 5.0063 5.0063 5.9649 5.9649 6.2615 6.2615 6.6478 6.6478 7.0302 7.0302 7.0502 7.0502 k = 0.0000 0.0000 0.1388 ( 11870 PWs) bands (ev): -13.6711 -13.6711 -13.6044 -13.6044 -13.1927 -13.1927 -12.8762 -12.8762 -9.5432 -9.5432 -9.3323 -9.3323 -9.2942 -9.2942 -9.2518 -9.2518 -8.5113 -8.5113 -7.3091 -7.3091 -4.1610 -4.1610 -4.0592 -4.0592 -3.9382 -3.9382 -3.8807 -3.8807 -2.8915 -2.8915 -2.7234 -2.7234 -2.3759 -2.3759 -2.2488 -2.2488 -1.4293 -1.4293 -0.2920 -0.2920 -0.1333 -0.1333 0.2713 0.2713 0.4806 0.4806 0.7588 0.7588 1.0574 1.0574 1.4079 1.4079 1.4948 1.4948 1.6030 1.6030 1.8411 1.8411 2.0766 2.0766 2.1514 2.1514 2.2777 2.2777 2.3951 2.3951 2.4910 2.4910 4.0007 4.0007 5.0088 5.0088 5.9611 5.9611 6.2937 6.2937 6.6201 6.6201 7.0300 7.0300 7.0814 7.0814 k = 0.0000 0.0000 0.1620 ( 11864 PWs) bands (ev): -13.6686 -13.6686 -13.6042 -13.6042 -13.1954 -13.1954 -12.8770 -12.8770 -9.5412 -9.5412 -9.3305 -9.3305 -9.2938 -9.2938 -9.2516 -9.2516 -8.5160 -8.5160 -7.3084 -7.3084 -4.1599 -4.1599 -4.0612 -4.0612 -3.9373 -3.9373 -3.8795 -3.8795 -2.8942 -2.8942 -2.7265 -2.7265 -2.3822 -2.3822 -2.2467 -2.2467 -1.4277 -1.4277 -0.2791 -0.2791 -0.1086 -0.1086 0.2964 0.2964 0.4972 0.4972 0.7654 0.7654 1.0356 1.0356 1.3822 1.3822 1.4819 1.4819 1.5906 1.5906 1.8179 1.8179 2.0718 2.0718 2.1490 2.1490 2.2627 2.2627 2.4116 2.4116 2.4932 2.4932 3.9947 3.9947 5.0108 5.0108 5.9580 5.9580 6.3241 6.3241 6.5999 6.5999 7.0283 7.0283 7.1122 7.1122 k = 0.0000 0.0000 0.1851 ( 11867 PWs) bands (ev): -13.6657 -13.6657 -13.6041 -13.6041 -13.1986 -13.1986 -12.8778 -12.8778 -9.5390 -9.5390 -9.3285 -9.3285 -9.2933 -9.2933 -9.2515 -9.2515 -8.5213 -8.5213 -7.3077 -7.3077 -4.1586 -4.1586 -4.0635 -4.0635 -3.9362 -3.9362 -3.8782 -3.8782 -2.8972 -2.8972 -2.7297 -2.7297 -2.3883 -2.3883 -2.2450 -2.2450 -1.4260 -1.4260 -0.2635 -0.2635 -0.0811 -0.0811 0.3236 0.3236 0.5160 0.5160 0.7727 0.7727 1.0120 1.0120 1.3543 1.3543 1.4681 1.4681 1.5764 1.5764 1.7910 1.7910 2.0658 2.0658 2.1479 2.1479 2.2449 2.2449 2.4275 2.4275 2.4964 2.4964 3.9898 3.9898 5.0121 5.0121 5.9556 5.9556 6.3478 6.3478 6.5915 6.5915 7.0265 7.0265 7.1413 7.1413 k = 0.0000 0.0000 0.2083 ( 11884 PWs) bands (ev): -13.6627 -13.6627 -13.6040 -13.6040 -13.2019 -13.2019 -12.8788 -12.8788 -9.5366 -9.5366 -9.3264 -9.3264 -9.2927 -9.2927 -9.2514 -9.2514 -8.5269 -8.5269 -7.3070 -7.3070 -4.1571 -4.1571 -4.0660 -4.0660 -3.9351 -3.9351 -3.8768 -3.8768 -2.9004 -2.9004 -2.7332 -2.7332 -2.3943 -2.3943 -2.2440 -2.2440 -1.4240 -1.4240 -0.2451 -0.2451 -0.0510 -0.0510 0.3522 0.3522 0.5366 0.5366 0.7804 0.7804 0.9873 0.9873 1.3249 1.3249 1.4537 1.4537 1.5608 1.5608 1.7607 1.7607 2.0584 2.0584 2.1476 2.1476 2.2252 2.2252 2.4420 2.4420 2.5010 2.5010 3.9863 3.9863 5.0124 5.0124 5.9539 5.9539 6.3599 6.3599 6.5994 6.5994 7.0250 7.0250 7.1687 7.1687 k = 0.0000 0.0000 0.2314 ( 11887 PWs) bands (ev): -13.6593 -13.6593 -13.6039 -13.6039 -13.2055 -13.2055 -12.8797 -12.8797 -9.5341 -9.5341 -9.3242 -9.3242 -9.2920 -9.2920 -9.2512 -9.2512 -8.5328 -8.5328 -7.3062 -7.3062 -4.1555 -4.1555 -4.0688 -4.0688 -3.9339 -3.9339 -3.8753 -3.8753 -2.9038 -2.9038 -2.7366 -2.7366 -2.3999 -2.3999 -2.2437 -2.2437 -1.4219 -1.4219 -0.2242 -0.2242 -0.0185 -0.0185 0.3816 0.3816 0.5589 0.5589 0.7883 0.7883 0.9622 0.9622 1.2945 1.2945 1.4386 1.4386 1.5441 1.5441 1.7274 1.7274 2.0492 2.0492 2.1465 2.1465 2.2055 2.2055 2.4543 2.4543 2.5073 2.5073 3.9846 3.9846 5.0118 5.0118 5.9527 5.9527 6.3591 6.3591 6.6237 6.6237 7.0239 7.0239 7.1947 7.1947 k = 0.0000 0.0000 0.2545 ( 11894 PWs) bands (ev): -13.6559 -13.6559 -13.6038 -13.6038 -13.2093 -13.2093 -12.8807 -12.8807 -9.5316 -9.5316 -9.3220 -9.3220 -9.2912 -9.2912 -9.2511 -9.2511 -8.5389 -8.5389 -7.3055 -7.3055 -4.1536 -4.1536 -4.0718 -4.0718 -3.9327 -3.9327 -3.8738 -3.8738 -2.9073 -2.9073 -2.7401 -2.7401 -2.4050 -2.4050 -2.2440 -2.2440 -1.4195 -1.4195 -0.2010 -0.2010 0.0161 0.0161 0.4111 0.4111 0.5824 0.5824 0.7956 0.7956 0.9379 0.9379 1.2639 1.2639 1.4227 1.4227 1.5267 1.5267 1.6916 1.6916 2.0385 2.0385 2.1410 2.1410 2.1895 2.1895 2.4642 2.4642 2.5155 2.5155 3.9846 3.9846 5.0102 5.0102 5.9520 5.9520 6.3493 6.3493 6.6598 6.6598 7.0233 7.0233 7.2198 7.2198 k = 0.0000 0.0000 0.2777 ( 11906 PWs) bands (ev): -13.6523 -13.6523 -13.6037 -13.6037 -13.2132 -13.2132 -12.8817 -12.8817 -9.5290 -9.5290 -9.3198 -9.3198 -9.2903 -9.2903 -9.2509 -9.2509 -8.5451 -8.5451 -7.3048 -7.3048 -4.1516 -4.1516 -4.0751 -4.0751 -3.9314 -3.9314 -3.8723 -3.8723 -2.9108 -2.9108 -2.7435 -2.7435 -2.4095 -2.4095 -2.2450 -2.2450 -1.4169 -1.4169 -0.1756 -0.1756 0.0523 0.0523 0.4397 0.4397 0.6068 0.6068 0.8014 0.8014 0.9160 0.9160 1.2337 1.2337 1.4061 1.4061 1.5086 1.5086 1.6541 1.6541 2.0263 2.0263 2.1263 2.1263 2.1822 2.1822 2.4719 2.4719 2.5250 2.5250 3.9864 3.9864 5.0076 5.0076 5.9516 5.9516 6.3350 6.3350 6.7023 6.7023 7.0232 7.0232 7.2447 7.2447 k = 0.0000 0.0000 0.3008 ( 11898 PWs) bands (ev): -13.6486 -13.6486 -13.6037 -13.6037 -13.2171 -13.2171 -12.8826 -12.8826 -9.5265 -9.5265 -9.3177 -9.3177 -9.2893 -9.2893 -9.2508 -9.2508 -8.5512 -8.5512 -7.3042 -7.3042 -4.1493 -4.1493 -4.0785 -4.0785 -3.9302 -3.9302 -3.8709 -3.8709 -2.9142 -2.9142 -2.7467 -2.7467 -2.4135 -2.4135 -2.2467 -2.2467 -1.4142 -1.4142 -0.1485 -0.1485 0.0897 0.0897 0.4666 0.4666 0.6318 0.6318 0.8040 0.8040 0.8989 0.8989 1.2047 1.2047 1.3887 1.3887 1.4897 1.4897 1.6160 1.6160 2.0130 2.0130 2.1042 2.1042 2.1818 2.1818 2.4779 2.4779 2.5352 2.5352 3.9897 3.9897 5.0041 5.0041 5.9514 5.9514 6.3190 6.3190 6.7468 6.7468 7.0239 7.0239 7.2702 7.2702 k = 0.0000 0.0000 0.3240 ( 11893 PWs) bands (ev): -13.6449 -13.6449 -13.6037 -13.6037 -13.2210 -13.2210 -12.8835 -12.8835 -9.5241 -9.5241 -9.3157 -9.3157 -9.2883 -9.2883 -9.2506 -9.2506 -8.5572 -8.5572 -7.3035 -7.3035 -4.1469 -4.1469 -4.0821 -4.0821 -3.9289 -3.9289 -3.8695 -3.8695 -2.9176 -2.9176 -2.7498 -2.7498 -2.4168 -2.4168 -2.2489 -2.2489 -1.4113 -1.4113 -0.1200 -0.1200 0.1278 0.1278 0.4907 0.4907 0.6568 0.6568 0.8018 0.8018 0.8887 0.8887 1.1778 1.1778 1.3703 1.3703 1.4696 1.4696 1.5786 1.5786 1.9989 1.9989 2.0789 2.0789 2.1844 2.1844 2.4829 2.4829 2.5454 2.5454 3.9942 3.9942 5.0000 5.0000 5.9514 5.9514 6.3031 6.3031 6.7904 6.7904 7.0251 7.0251 7.2973 7.2973 k = 0.0000 0.0000 0.3471 ( 11881 PWs) bands (ev): -13.6413 -13.6413 -13.6037 -13.6037 -13.2248 -13.2248 -12.8844 -12.8844 -9.5218 -9.5218 -9.3139 -9.3139 -9.2872 -9.2872 -9.2505 -9.2505 -8.5629 -8.5629 -7.3030 -7.3030 -4.1442 -4.1442 -4.0858 -4.0858 -3.9277 -3.9277 -3.8682 -3.8682 -2.9208 -2.9208 -2.7526 -2.7526 -2.4195 -2.4195 -2.2516 -2.2516 -1.4083 -1.4083 -0.0906 -0.0906 0.1657 0.1657 0.5108 0.5108 0.6813 0.6813 0.7957 0.7957 0.8858 0.8858 1.1537 1.1537 1.3508 1.3508 1.4475 1.4475 1.5441 1.5441 1.9843 1.9843 2.0528 2.0528 2.1881 2.1881 2.4871 2.4871 2.5550 2.5550 3.9997 3.9997 4.9954 4.9954 5.9514 5.9514 6.2882 6.2882 6.8309 6.8309 7.0271 7.0271 7.3267 7.3267 k = 0.0000 0.0000 0.3702 ( 11894 PWs) bands (ev): -13.6378 -13.6378 -13.6038 -13.6038 -13.2284 -13.2284 -12.8852 -12.8852 -9.5196 -9.5196 -9.3122 -9.3122 -9.2861 -9.2861 -9.2503 -9.2503 -8.5682 -8.5682 -7.3025 -7.3025 -4.1414 -4.1414 -4.0896 -4.0896 -3.9267 -3.9267 -3.8670 -3.8670 -2.9238 -2.9238 -2.7551 -2.7551 -2.4216 -2.4216 -2.2546 -2.2546 -1.4053 -1.4053 -0.0608 -0.0608 0.2025 0.2025 0.5257 0.5257 0.7047 0.7047 0.7890 0.7890 0.8874 0.8874 1.1333 1.1333 1.3300 1.3300 1.4227 1.4227 1.5145 1.5145 1.9699 1.9699 2.0272 2.0272 2.1920 2.1920 2.4909 2.4909 2.5639 2.5639 4.0058 4.0058 4.9905 4.9905 5.9516 5.9516 6.2747 6.2747 6.8667 6.8667 7.0298 7.0298 7.3590 7.3590 k = 0.0000 0.0000 0.3934 ( 11891 PWs) bands (ev): -13.6345 -13.6345 -13.6040 -13.6040 -13.2317 -13.2317 -12.8859 -12.8859 -9.5177 -9.5177 -9.3106 -9.3106 -9.2850 -9.2850 -9.2502 -9.2502 -8.5730 -8.5730 -7.3021 -7.3021 -4.1384 -4.1384 -4.0935 -4.0935 -3.9257 -3.9257 -3.8659 -3.8659 -2.9264 -2.9264 -2.7574 -2.7574 -2.4233 -2.4233 -2.2576 -2.2576 -1.4024 -1.4024 -0.0313 -0.0313 0.2370 0.2370 0.5349 0.5349 0.7264 0.7264 0.7852 0.7852 0.8906 0.8906 1.1175 1.1175 1.3072 1.3072 1.3960 1.3960 1.4910 1.4910 1.9560 1.9560 2.0029 2.0029 2.1957 2.1957 2.4942 2.4942 2.5717 2.5717 4.0121 4.0121 4.9856 4.9856 5.9517 5.9517 6.2629 6.2629 6.8966 6.8966 7.0332 7.0332 7.3941 7.3941 k = 0.0000 0.0000 0.4165 ( 11882 PWs) bands (ev): -13.6315 -13.6315 -13.6042 -13.6042 -13.2346 -13.2346 -12.8865 -12.8865 -9.5160 -9.5160 -9.3093 -9.3093 -9.2840 -9.2840 -9.2501 -9.2501 -8.5773 -8.5773 -7.3017 -7.3017 -4.1353 -4.1353 -4.0975 -4.0975 -3.9248 -3.9248 -3.8649 -3.8649 -2.9288 -2.9288 -2.7593 -2.7593 -2.4244 -2.4244 -2.2607 -2.2607 -1.3997 -1.3997 -0.0027 -0.0027 0.2678 0.2678 0.5388 0.5388 0.7456 0.7456 0.7858 0.7858 0.8935 0.8935 1.1070 1.1070 1.2820 1.2820 1.3699 1.3699 1.4730 1.4730 1.9433 1.9433 1.9806 1.9806 2.1991 2.1991 2.4971 2.4971 2.5784 2.5784 4.0182 4.0182 4.9809 4.9809 5.9518 5.9518 6.2530 6.2530 6.9205 6.9205 7.0370 7.0370 7.4314 7.4314 k = 0.0000 0.0000 0.4396 ( 11893 PWs) bands (ev): -13.6288 -13.6288 -13.6045 -13.6045 -13.2371 -13.2371 -12.8870 -12.8870 -9.5146 -9.5146 -9.3082 -9.3082 -9.2832 -9.2832 -9.2500 -9.2500 -8.5809 -8.5809 -7.3014 -7.3014 -4.1320 -4.1320 -4.1015 -4.1015 -3.9241 -3.9241 -3.8641 -3.8641 -2.9307 -2.9307 -2.7609 -2.7609 -2.4252 -2.4252 -2.2635 -2.2635 -1.3973 -1.3973 0.0238 0.0238 0.2932 0.2932 0.5393 0.5393 0.7616 0.7616 0.7906 0.7906 0.8949 0.8949 1.1022 1.1022 1.2546 1.2546 1.3474 1.3474 1.4593 1.4593 1.9323 1.9323 1.9609 1.9609 2.2019 2.2019 2.4996 2.4996 2.5840 2.5840 4.0237 4.0237 4.9767 4.9767 5.9518 5.9518 6.2449 6.2449 6.9384 6.9384 7.0410 7.0410 7.4692 7.4692 k = 0.0000 0.0000 0.4628 ( 11876 PWs) bands (ev): -13.6266 -13.6266 -13.6048 -13.6048 -13.2392 -13.2392 -12.8875 -12.8875 -9.5135 -9.5135 -9.3073 -9.3073 -9.2825 -9.2825 -9.2499 -9.2499 -8.5838 -8.5838 -7.3012 -7.3012 -4.1285 -4.1285 -4.1055 -4.1055 -3.9235 -3.9235 -3.8635 -3.8635 -2.9323 -2.9323 -2.7622 -2.7622 -2.4257 -2.4257 -2.2659 -2.2659 -1.3953 -1.3953 0.0470 0.0470 0.3121 0.3121 0.5387 0.5387 0.7740 0.7740 0.7979 0.7979 0.8950 0.8950 1.1027 1.1027 1.2265 1.2265 1.3297 1.3297 1.4492 1.4492 1.9237 1.9237 1.9444 1.9444 2.2042 2.2042 2.5016 2.5016 2.5883 2.5883 4.0284 4.0284 4.9731 4.9731 5.9519 5.9519 6.2386 6.2386 6.9511 6.9511 7.0449 7.0449 7.5050 7.5050 k = 0.0000 0.0000 0.4859 ( 11869 PWs) bands (ev): -13.6249 -13.6249 -13.6051 -13.6051 -13.2407 -13.2407 -12.8878 -12.8878 -9.5127 -9.5127 -9.3067 -9.3067 -9.2819 -9.2819 -9.2499 -9.2499 -8.5859 -8.5859 -7.3011 -7.3011 -4.1249 -4.1249 -4.1095 -4.1095 -3.9231 -3.9231 -3.8630 -3.8630 -2.9334 -2.9334 -2.7631 -2.7631 -2.4259 -2.4259 -2.2677 -2.2677 -1.3938 -1.3938 0.0655 0.0655 0.3241 0.3241 0.5384 0.5384 0.7827 0.7827 0.8052 0.8052 0.8941 0.8941 1.1075 1.1075 1.2004 1.2004 1.3171 1.3171 1.4420 1.4420 1.9179 1.9179 1.9314 1.9314 2.2059 2.2059 2.5031 2.5031 2.5914 2.5914 4.0319 4.0319 4.9704 4.9704 5.9519 5.9519 6.2341 6.2341 6.9594 6.9594 7.0480 7.0480 7.5355 7.5355 k = 0.0000 0.0000 0.5091 ( 11865 PWs) bands (ev): -13.6239 -13.6239 -13.6053 -13.6053 -13.2416 -13.2416 -12.8879 -12.8879 -9.5122 -9.5122 -9.3063 -9.3063 -9.2816 -9.2816 -9.2498 -9.2498 -8.5872 -8.5872 -7.3010 -7.3010 -4.1212 -4.1212 -4.1135 -4.1135 -3.9228 -3.9228 -3.8627 -3.8627 -2.9341 -2.9341 -2.7636 -2.7636 -2.4261 -2.4261 -2.2689 -2.2689 -1.3929 -1.3929 0.0775 0.0775 0.3302 0.3302 0.5388 0.5388 0.7881 0.7881 0.8105 0.8105 0.8932 0.8932 1.1146 1.1146 1.1800 1.1800 1.3096 1.3096 1.4377 1.4377 1.9153 1.9153 1.9224 1.9224 2.2069 2.2069 2.5039 2.5039 2.5933 2.5933 4.0341 4.0341 4.9687 4.9687 5.9519 5.9519 6.2315 6.2315 6.9640 6.9640 7.0500 7.0500 7.5565 7.5565 k = 0.0000 0.0000 0.5322 ( 11866 PWs) bands (ev): -13.6235 -13.6235 -13.6054 -13.6054 -13.2419 -13.2419 -12.8880 -12.8880 -9.5120 -9.5120 -9.3062 -9.3062 -9.2815 -9.2815 -9.2498 -9.2498 -8.5876 -8.5876 -7.3009 -7.3009 -4.1175 -4.1175 -4.1173 -4.1173 -3.9227 -3.9227 -3.8626 -3.8626 -2.9343 -2.9343 -2.7638 -2.7638 -2.4261 -2.4261 -2.2693 -2.2693 -1.3926 -1.3926 0.0817 0.0817 0.3320 0.3320 0.5390 0.5390 0.7899 0.7899 0.8124 0.8124 0.8927 0.8927 1.1186 1.1186 1.1713 1.1713 1.3071 1.3071 1.4363 1.4363 1.9155 1.9155 1.9183 1.9183 2.2072 2.2072 2.5042 2.5042 2.5939 2.5939 4.0348 4.0348 4.9682 4.9682 5.9519 5.9519 6.2306 6.2306 6.9655 6.9655 7.0507 7.0507 7.5640 7.5640 k = 0.0000 0.0000 0.5322 ( 11866 PWs) bands (ev): -13.6235 -13.6235 -13.6054 -13.6054 -13.2419 -13.2419 -12.8880 -12.8880 -9.5120 -9.5120 -9.3062 -9.3062 -9.2815 -9.2815 -9.2498 -9.2498 -8.5876 -8.5876 -7.3009 -7.3009 -4.1175 -4.1175 -4.1173 -4.1173 -3.9227 -3.9227 -3.8626 -3.8626 -2.9343 -2.9343 -2.7638 -2.7638 -2.4261 -2.4261 -2.2693 -2.2693 -1.3926 -1.3926 0.0817 0.0817 0.3320 0.3320 0.5390 0.5390 0.7899 0.7899 0.8124 0.8124 0.8927 0.8927 1.1186 1.1186 1.1713 1.1713 1.3071 1.3071 1.4363 1.4363 1.9155 1.9155 1.9183 1.9183 2.2072 2.2072 2.5042 2.5042 2.5939 2.5939 4.0348 4.0348 4.9682 4.9682 5.9519 5.9519 6.2306 6.2306 6.9655 6.9655 7.0507 7.0507 7.5640 7.5640 k = 0.0000 0.0229 0.5322 ( 11873 PWs) bands (ev): -13.6235 -13.6235 -13.6054 -13.6054 -13.2417 -13.2417 -12.8878 -12.8878 -9.5129 -9.5129 -9.3093 -9.3093 -9.2816 -9.2816 -9.2498 -9.2498 -8.5851 -8.5851 -7.2992 -7.2992 -4.1183 -4.1183 -4.1165 -4.1165 -3.9226 -3.9226 -3.8627 -3.8627 -2.9335 -2.9335 -2.7636 -2.7636 -2.4259 -2.4259 -2.2690 -2.2690 -1.3916 -1.3916 0.0814 0.0814 0.3299 0.3299 0.5390 0.5390 0.7809 0.7809 0.8141 0.8141 0.8943 0.8943 1.1132 1.1132 1.1789 1.1789 1.3057 1.3057 1.4400 1.4400 1.9139 1.9139 1.9172 1.9172 2.2075 2.2075 2.5042 2.5042 2.5966 2.5966 4.0329 4.0329 4.9680 4.9680 5.9529 5.9529 6.2315 6.2315 6.9644 6.9644 7.0500 7.0500 7.5665 7.5665 k = 0.0000 0.0458 0.5322 ( 11883 PWs) bands (ev): -13.6234 -13.6234 -13.6054 -13.6054 -13.2412 -13.2412 -12.8873 -12.8873 -9.5155 -9.5155 -9.3181 -9.3181 -9.2822 -9.2822 -9.2498 -9.2498 -8.5778 -8.5778 -7.2940 -7.2940 -4.1194 -4.1194 -4.1156 -4.1156 -3.9223 -3.9223 -3.8629 -3.8629 -2.9310 -2.9310 -2.7632 -2.7632 -2.4252 -2.4252 -2.2680 -2.2680 -1.3886 -1.3886 0.0807 0.0807 0.3236 0.3236 0.5388 0.5388 0.7612 0.7612 0.8135 0.8135 0.8980 0.8980 1.1028 1.1028 1.1952 1.1952 1.3025 1.3025 1.4504 1.4504 1.9086 1.9086 1.9145 1.9145 2.2086 2.2086 2.5043 2.5043 2.6045 2.6045 4.0273 4.0273 4.9676 4.9676 5.9557 5.9557 6.2343 6.2343 6.9611 6.9611 7.0478 7.0478 7.5735 7.5735 k = 0.0000 0.0687 0.5322 ( 11875 PWs) bands (ev): -13.6233 -13.6233 -13.6055 -13.6055 -13.2404 -13.2404 -12.8864 -12.8864 -9.5198 -9.5198 -9.3316 -9.3316 -9.2839 -9.2839 -9.2497 -9.2497 -8.5660 -8.5660 -7.2854 -7.2854 -4.1206 -4.1206 -4.1148 -4.1148 -3.9218 -3.9218 -3.8632 -3.8632 -2.9268 -2.9268 -2.7624 -2.7624 -2.4239 -2.4239 -2.2664 -2.2664 -1.3837 -1.3837 0.0796 0.0796 0.3131 0.3131 0.5385 0.5385 0.7366 0.7366 0.8080 0.8080 0.9018 0.9018 1.0926 1.0926 1.2117 1.2117 1.2999 1.2999 1.4669 1.4669 1.8992 1.8992 1.9105 1.9105 2.2105 2.2105 2.5047 2.5047 2.6170 2.6170 4.0185 4.0185 4.9667 4.9667 5.9604 5.9604 6.2389 6.2389 6.9554 6.9554 7.0448 7.0448 7.5848 7.5848 k = 0.0000 0.0916 0.5322 ( 11897 PWs) bands (ev): -13.6231 -13.6231 -13.6056 -13.6056 -13.2393 -13.2393 -12.8852 -12.8852 -9.5258 -9.5258 -9.3491 -9.3491 -9.2867 -9.2867 -9.2495 -9.2495 -8.5503 -8.5503 -7.2737 -7.2737 -4.1219 -4.1219 -4.1139 -4.1139 -3.9211 -3.9211 -3.8636 -3.8636 -2.9212 -2.9212 -2.7612 -2.7612 -2.4221 -2.4221 -2.2643 -2.2643 -1.3767 -1.3767 0.0780 0.0780 0.2984 0.2984 0.5379 0.5379 0.7094 0.7094 0.7988 0.7988 0.9040 0.9040 1.0843 1.0843 1.2221 1.2221 1.3020 1.3020 1.4884 1.4884 1.8862 1.8862 1.9052 1.9052 2.2135 2.2135 2.5057 2.5057 2.6334 2.6334 4.0074 4.0074 4.9654 4.9654 5.9668 5.9668 6.2453 6.2453 6.9474 6.9474 7.0413 7.0413 7.5996 7.5996 k = 0.0000 0.1145 0.5322 ( 11883 PWs) bands (ev): -13.6229 -13.6229 -13.6057 -13.6057 -13.2378 -13.2378 -12.8836 -12.8836 -9.5336 -9.5336 -9.3697 -9.3697 -9.2903 -9.2903 -9.2493 -9.2493 -8.5315 -8.5315 -7.2591 -7.2591 -4.1234 -4.1234 -4.1129 -4.1129 -3.9202 -3.9202 -3.8641 -3.8641 -2.9142 -2.9142 -2.7597 -2.7597 -2.4197 -2.4197 -2.2616 -2.2616 -1.3675 -1.3675 0.0761 0.0761 0.2796 0.2796 0.5367 0.5367 0.6815 0.6815 0.7872 0.7872 0.9036 0.9036 1.0777 1.0777 1.2227 1.2227 1.3112 1.3112 1.5140 1.5140 1.8696 1.8696 1.8988 1.8988 2.2176 2.2176 2.5074 2.5074 2.6529 2.6529 3.9949 3.9949 4.9636 4.9636 5.9748 5.9748 6.2533 6.2533 6.9369 6.9369 7.0379 7.0379 7.6168 7.6168 k = 0.0000 0.1374 0.5322 ( 11884 PWs) bands (ev): -13.6226 -13.6226 -13.6059 -13.6059 -13.2361 -13.2361 -12.8817 -12.8817 -9.5430 -9.5430 -9.3930 -9.3930 -9.2945 -9.2945 -9.2491 -9.2491 -8.5101 -8.5101 -7.2417 -7.2417 -4.1251 -4.1251 -4.1119 -4.1119 -3.9192 -3.9192 -3.8647 -3.8647 -2.9060 -2.9060 -2.7578 -2.7578 -2.4165 -2.4165 -2.2586 -2.2586 -1.3563 -1.3563 0.0738 0.0738 0.2570 0.2570 0.5345 0.5345 0.6541 0.6541 0.7743 0.7743 0.9002 0.9002 1.0725 1.0725 1.2153 1.2153 1.3249 1.3249 1.5427 1.5427 1.8500 1.8500 1.8916 1.8916 2.2232 2.2232 2.5099 2.5099 2.6750 2.6750 3.9821 3.9821 4.9614 4.9614 5.9841 5.9841 6.2630 6.2630 6.9242 6.9242 7.0351 7.0351 7.6353 7.6353 k = 0.0000 0.1603 0.5322 ( 11876 PWs) bands (ev): -13.6223 -13.6223 -13.6061 -13.6061 -13.2341 -13.2341 -12.8796 -12.8796 -9.5541 -9.5541 -9.4182 -9.4182 -9.2992 -9.2992 -9.2489 -9.2489 -8.4869 -8.4869 -7.2221 -7.2221 -4.1269 -4.1269 -4.1108 -4.1108 -3.9180 -3.9180 -3.8655 -3.8655 -2.8969 -2.8969 -2.7554 -2.7554 -2.4127 -2.4127 -2.2551 -2.2551 -1.3428 -1.3428 0.0711 0.0711 0.2310 0.2310 0.5306 0.5306 0.6287 0.6287 0.7607 0.7607 0.8938 0.8938 1.0679 1.0679 1.2037 1.2037 1.3391 1.3391 1.5733 1.5733 1.8277 1.8277 1.8838 1.8838 2.2304 2.2304 2.5130 2.5130 2.6990 2.6990 3.9699 3.9699 4.9592 4.9592 5.9944 5.9944 6.2740 6.2740 6.9095 6.9095 7.0330 7.0330 7.6534 7.6534 k = 0.0000 0.1831 0.5322 ( 11886 PWs) bands (ev): -13.6219 -13.6219 -13.6063 -13.6063 -13.2318 -13.2318 -12.8772 -12.8772 -9.5666 -9.5666 -9.4448 -9.4448 -9.3039 -9.3039 -9.2486 -9.2486 -8.4624 -8.4624 -7.2005 -7.2005 -4.1290 -4.1290 -4.1096 -4.1096 -3.9168 -3.9168 -3.8662 -3.8662 -2.8871 -2.8871 -2.7525 -2.7525 -2.4081 -2.4081 -2.2512 -2.2512 -1.3271 -1.3271 0.0682 0.0682 0.2020 0.2020 0.5241 0.5241 0.6064 0.6064 0.7471 0.7471 0.8846 0.8846 1.0627 1.0627 1.1907 1.1907 1.3512 1.3512 1.6041 1.6041 1.8037 1.8037 1.8760 1.8760 2.2393 2.2393 2.5169 2.5169 2.7242 2.7242 3.9593 3.9593 4.9572 4.9572 6.0054 6.0054 6.2860 6.2860 6.8933 6.8933 7.0317 7.0317 7.6695 7.6695 k = 0.0000 0.2060 0.5322 ( 11886 PWs) bands (ev): -13.6215 -13.6215 -13.6066 -13.6066 -13.2293 -13.2293 -12.8745 -12.8745 -9.5805 -9.5805 -9.4722 -9.4722 -9.3087 -9.3087 -9.2483 -9.2483 -8.4372 -8.4372 -7.1774 -7.1774 -4.1311 -4.1311 -4.1083 -4.1083 -3.9154 -3.9154 -3.8671 -3.8671 -2.8769 -2.8769 -2.7490 -2.7490 -2.4028 -2.4028 -2.2469 -2.2469 -1.3091 -1.3091 0.0648 0.0648 0.1707 0.1707 0.5137 0.5137 0.5885 0.5885 0.7338 0.7338 0.8730 0.8730 1.0556 1.0556 1.1780 1.1780 1.3600 1.3600 1.6327 1.6327 1.7800 1.7800 1.8685 1.8685 2.2499 2.2499 2.5212 2.5212 2.7504 2.7504 3.9510 3.9510 4.9561 4.9561 6.0167 6.0167 6.2989 6.2989 6.8760 6.8760 7.0314 7.0314 7.6819 7.6819 k = 0.0000 0.2289 0.5322 ( 11888 PWs) bands (ev): -13.6211 -13.6211 -13.6069 -13.6069 -13.2267 -13.2267 -12.8717 -12.8717 -9.5955 -9.5955 -9.5001 -9.5001 -9.3132 -9.3132 -9.2480 -9.2480 -8.4116 -8.4116 -7.1530 -7.1530 -4.1334 -4.1334 -4.1070 -4.1070 -3.9140 -3.9140 -3.8680 -3.8680 -2.8665 -2.8665 -2.7450 -2.7450 -2.3970 -2.3970 -2.2420 -2.2420 -1.2889 -1.2889 0.0607 0.0607 0.1380 0.1380 0.4993 0.4993 0.5755 0.5755 0.7209 0.7209 0.8594 0.8594 1.0451 1.0451 1.1673 1.1673 1.3648 1.3648 1.6545 1.6545 1.7608 1.7608 1.8622 1.8622 2.2622 2.2622 2.5261 2.5261 2.7769 2.7769 3.9457 3.9457 4.9563 4.9563 6.0281 6.0281 6.3119 6.3119 6.8580 6.8580 7.0319 7.0319 7.6893 7.6893 k = 0.0000 0.2518 0.5322 ( 11895 PWs) bands (ev): -13.6207 -13.6207 -13.6073 -13.6073 -13.2239 -13.2239 -12.8687 -12.8687 -9.6114 -9.6114 -9.5279 -9.5279 -9.3175 -9.3175 -9.2476 -9.2476 -8.3862 -8.3862 -7.1278 -7.1278 -4.1358 -4.1358 -4.1056 -4.1056 -3.9125 -3.9125 -3.8689 -3.8689 -2.8563 -2.8563 -2.7402 -2.7402 -2.3907 -2.3907 -2.2364 -2.2364 -1.2664 -1.2664 0.0550 0.0550 0.1056 0.1056 0.4818 0.4818 0.5663 0.5663 0.7083 0.7083 0.8439 0.8439 1.0303 1.0303 1.1594 1.1594 1.3652 1.3652 1.6603 1.6603 1.7551 1.7551 1.8576 1.8576 2.2760 2.2760 2.5313 2.5313 2.8033 2.8033 3.9436 3.9436 4.9583 4.9583 6.0393 6.0393 6.3248 6.3248 6.8398 6.8398 7.0333 7.0333 7.6915 7.6915 k = 0.0000 0.2747 0.5322 ( 11909 PWs) bands (ev): -13.6202 -13.6202 -13.6077 -13.6077 -13.2210 -13.2210 -12.8656 -12.8656 -9.6279 -9.6279 -9.5553 -9.5553 -9.3215 -9.3215 -9.2473 -9.2473 -8.3613 -8.3613 -7.1023 -7.1023 -4.1383 -4.1383 -4.1041 -4.1041 -3.9111 -3.9111 -3.8699 -3.8699 -2.8465 -2.8465 -2.7346 -2.7346 -2.3844 -2.3844 -2.2299 -2.2299 -1.2418 -1.2418 0.0432 0.0432 0.0785 0.0785 0.4631 0.4631 0.5592 0.5592 0.6961 0.6961 0.8268 0.8268 1.0110 1.0110 1.1542 1.1542 1.3612 1.3612 1.6470 1.6470 1.7659 1.7659 1.8554 1.8554 2.2911 2.2911 2.5369 2.5369 2.8294 2.8294 3.9450 3.9450 4.9625 4.9625 6.0501 6.0501 6.3367 6.3367 6.8218 6.8218 7.0355 7.0355 7.6893 7.6893 k = 0.0000 0.2976 0.5322 ( 11900 PWs) bands (ev): -13.6197 -13.6197 -13.6082 -13.6082 -13.2180 -13.2180 -12.8624 -12.8624 -9.6447 -9.6447 -9.5821 -9.5821 -9.3252 -9.3252 -9.2469 -9.2469 -8.3370 -8.3370 -7.0766 -7.0766 -4.1408 -4.1408 -4.1026 -4.1026 -3.9097 -3.9097 -3.8709 -3.8709 -2.8373 -2.8373 -2.7283 -2.7283 -2.3783 -2.3783 -2.2224 -2.2224 -1.2151 -1.2151 0.0182 0.0182 0.0643 0.0643 0.4443 0.4443 0.5530 0.5530 0.6839 0.6839 0.8080 0.8080 0.9882 0.9882 1.1511 1.1511 1.3530 1.3530 1.6241 1.6241 1.7838 1.7838 1.8565 1.8565 2.3072 2.3072 2.5427 2.5427 2.8547 2.8547 3.9500 3.9500 4.9692 4.9692 6.0603 6.0603 6.3473 6.3473 6.8046 6.8046 7.0385 7.0385 7.6838 7.6838 k = 0.0000 0.3205 0.5322 ( 11912 PWs) bands (ev): -13.6191 -13.6191 -13.6087 -13.6087 -13.2149 -13.2149 -12.8591 -12.8591 -9.6615 -9.6615 -9.6079 -9.6079 -9.3286 -9.3286 -9.2466 -9.2466 -8.3137 -8.3137 -7.0513 -7.0513 -4.1434 -4.1434 -4.1011 -4.1011 -3.9083 -3.9083 -3.8718 -3.8718 -2.8289 -2.8289 -2.7212 -2.7212 -2.3727 -2.3727 -2.2136 -2.2136 -1.1866 -1.1866 -0.0144 -0.0144 0.0578 0.0578 0.4263 0.4263 0.5472 0.5472 0.6716 0.6716 0.7874 0.7874 0.9631 0.9631 1.1488 1.1488 1.3418 1.3418 1.5984 1.5984 1.8019 1.8019 1.8611 1.8611 2.3239 2.3239 2.5487 2.5487 2.8790 2.8790 3.9583 3.9583 4.9785 4.9785 6.0698 6.0698 6.3558 6.3558 6.7885 6.7885 7.0422 7.0422 7.6760 7.6760 k = 0.0000 0.3434 0.5322 ( 11913 PWs) bands (ev): -13.6186 -13.6186 -13.6093 -13.6093 -13.2119 -13.2119 -12.8559 -12.8559 -9.6782 -9.6782 -9.6324 -9.6324 -9.3317 -9.3317 -9.2462 -9.2462 -8.2915 -8.2915 -7.0267 -7.0267 -4.1459 -4.1459 -4.0995 -4.0995 -3.9071 -3.9071 -3.8727 -3.8727 -2.8213 -2.8213 -2.7135 -2.7135 -2.3680 -2.3680 -2.2035 -2.2035 -1.1565 -1.1565 -0.0486 -0.0486 0.0536 0.0536 0.4095 0.4095 0.5412 0.5412 0.6590 0.6590 0.7646 0.7646 0.9371 0.9371 1.1465 1.1465 1.3286 1.3286 1.5728 1.5728 1.8178 1.8178 1.8693 1.8693 2.3407 2.3407 2.5548 2.5548 2.9020 2.9020 3.9698 3.9698 4.9904 4.9904 6.0785 6.0785 6.3619 6.3619 6.7740 6.7740 7.0464 7.0464 7.6668 7.6668 k = 0.0000 0.3663 0.5322 ( 11909 PWs) bands (ev): -13.6180 -13.6180 -13.6100 -13.6100 -13.2089 -13.2089 -12.8527 -12.8527 -9.6943 -9.6943 -9.6556 -9.6556 -9.3345 -9.3345 -9.2459 -9.2459 -8.2707 -8.2707 -7.0030 -7.0030 -4.1484 -4.1484 -4.0980 -4.0980 -3.9060 -3.9060 -3.8735 -3.8735 -2.8145 -2.8145 -2.7051 -2.7051 -2.3642 -2.3642 -2.1922 -2.1922 -1.1251 -1.1251 -0.0825 -0.0825 0.0502 0.0502 0.3943 0.3943 0.5348 0.5348 0.6459 0.6459 0.7394 0.7394 0.9115 0.9115 1.1434 1.1434 1.3147 1.3147 1.5483 1.5483 1.8315 1.8315 1.8801 1.8801 2.3573 2.3573 2.5609 2.5609 2.9236 2.9236 3.9840 3.9840 5.0047 5.0047 6.0863 6.0863 6.3652 6.3652 6.7615 6.7615 7.0511 7.0511 7.6570 7.6570 k = 0.0000 0.3892 0.5322 ( 11915 PWs) bands (ev): -13.6175 -13.6175 -13.6107 -13.6107 -13.2059 -13.2059 -12.8496 -12.8496 -9.7097 -9.7097 -9.6771 -9.6771 -9.3370 -9.3370 -9.2456 -9.2456 -8.2514 -8.2514 -6.9807 -6.9807 -4.1508 -4.1508 -4.0964 -4.0964 -3.9051 -3.9051 -3.8742 -3.8742 -2.8085 -2.8085 -2.6962 -2.6962 -2.3616 -2.3616 -2.1799 -2.1799 -1.0928 -1.0928 -0.1156 -0.1156 0.0473 0.0473 0.3808 0.3808 0.5273 0.5273 0.6322 0.6322 0.7121 0.7121 0.8876 0.8876 1.1389 1.1389 1.3014 1.3014 1.5260 1.5260 1.8437 1.8437 1.8918 1.8918 2.3732 2.3732 2.5670 2.5670 2.9434 2.9434 4.0006 4.0006 5.0212 5.0212 6.0931 6.0931 6.3656 6.3656 6.7511 6.7511 7.0562 7.0562 7.6468 7.6468 k = 0.0000 0.4121 0.5322 ( 11923 PWs) bands (ev): -13.6169 -13.6169 -13.6115 -13.6115 -13.2031 -13.2031 -12.8467 -12.8467 -9.7241 -9.7241 -9.6968 -9.6968 -9.3392 -9.3392 -9.2453 -9.2453 -8.2337 -8.2337 -6.9599 -6.9599 -4.1532 -4.1532 -4.0949 -4.0949 -3.9043 -3.9043 -3.8747 -3.8747 -2.8033 -2.8033 -2.6869 -2.6869 -2.3601 -2.3601 -2.1672 -2.1672 -1.0601 -1.0601 -0.1474 -0.1474 0.0449 0.0449 0.3690 0.3690 0.5180 0.5180 0.6176 0.6176 0.6843 0.6843 0.8660 0.8660 1.1332 1.1332 1.2891 1.2891 1.5064 1.5064 1.8555 1.8555 1.9033 1.9033 2.3882 2.3882 2.5729 2.5729 2.9615 2.9615 4.0189 4.0189 5.0392 5.0392 6.0989 6.0989 6.3632 6.3632 6.7430 6.7430 7.0614 7.0614 7.6368 7.6368 k = 0.0000 0.4350 0.5322 ( 11942 PWs) bands (ev): -13.6163 -13.6163 -13.6123 -13.6123 -13.2004 -13.2004 -12.8439 -12.8439 -9.7373 -9.7373 -9.7146 -9.7146 -9.3412 -9.3412 -9.2450 -9.2450 -8.2177 -8.2177 -6.9410 -6.9410 -4.1554 -4.1554 -4.0934 -4.0934 -3.9038 -3.9038 -3.8751 -3.8751 -2.7986 -2.7986 -2.6774 -2.6774 -2.3595 -2.3595 -2.1543 -2.1543 -1.0276 -1.0276 -0.1777 -0.1777 0.0430 0.0430 0.3589 0.3589 0.5057 0.5057 0.6009 0.6009 0.6594 0.6594 0.8469 0.8469 1.1264 1.1264 1.2779 1.2779 1.4903 1.4903 1.8670 1.8670 1.9137 1.9137 2.4018 2.4018 2.5785 2.5785 2.9775 2.9775 4.0385 4.0385 5.0582 5.0582 6.1034 6.1034 6.3584 6.3584 6.7370 6.7370 7.0667 7.0667 7.6272 7.6272 k = 0.0000 0.4579 0.5322 ( 11936 PWs) bands (ev): -13.6158 -13.6158 -13.6132 -13.6132 -13.1979 -13.1979 -12.8413 -12.8413 -9.7492 -9.7492 -9.7304 -9.7304 -9.3430 -9.3430 -9.2448 -9.2448 -8.2036 -8.2036 -6.9241 -6.9241 -4.1575 -4.1575 -4.0920 -4.0920 -3.9036 -3.9036 -3.8754 -3.8754 -2.7945 -2.7945 -2.6679 -2.6679 -2.3597 -2.3597 -2.1421 -2.1421 -0.9960 -0.9960 -0.2061 -0.2061 0.0418 0.0418 0.3503 0.3503 0.4892 0.4892 0.5811 0.5811 0.6416 0.6416 0.8299 0.8299 1.1190 1.1190 1.2679 1.2679 1.4782 1.4782 1.8785 1.8785 1.9227 1.9227 2.4140 2.4140 2.5837 2.5837 2.9915 2.9915 4.0587 4.0587 5.0776 5.0776 6.1066 6.1066 6.3519 6.3519 6.7329 6.7329 7.0719 7.0719 7.6181 7.6181 k = 0.0000 0.4808 0.5322 ( 11931 PWs) bands (ev): -13.6152 -13.6152 -13.6142 -13.6142 -13.1956 -13.1956 -12.8390 -12.8390 -9.7596 -9.7596 -9.7439 -9.7439 -9.3446 -9.3446 -9.2446 -9.2446 -8.1913 -8.1913 -6.9095 -6.9095 -4.1594 -4.1594 -4.0906 -4.0906 -3.9036 -3.9036 -3.8754 -3.8754 -2.7909 -2.7909 -2.6583 -2.6583 -2.3605 -2.3605 -2.1309 -2.1309 -0.9661 -0.9661 -0.2325 -0.2325 0.0412 0.0412 0.3428 0.3428 0.4682 0.4682 0.5597 0.5597 0.6322 0.6322 0.8148 0.8148 1.1113 1.1113 1.2588 1.2588 1.4703 1.4703 1.8897 1.8897 1.9302 1.9302 2.4245 2.4245 2.5884 2.5884 3.0034 3.0034 4.0788 4.0788 5.0967 5.0967 6.1085 6.1085 6.3443 6.3443 6.7304 6.7304 7.0768 7.0768 7.6098 7.6098 k = 0.0000 0.5036 0.5322 ( 11925 PWs) bands (ev): -13.6154 -13.6154 -13.6145 -13.6145 -13.1935 -13.1935 -12.8370 -12.8370 -9.7683 -9.7683 -9.7552 -9.7552 -9.3460 -9.3460 -9.2444 -9.2444 -8.1810 -8.1810 -6.8974 -6.8974 -4.1611 -4.1611 -4.0893 -4.0893 -3.9038 -3.9038 -3.8753 -3.8753 -2.7877 -2.7877 -2.6490 -2.6490 -2.3617 -2.3617 -2.1213 -2.1213 -0.9388 -0.9388 -0.2567 -0.2567 0.0412 0.0412 0.3356 0.3356 0.4444 0.4444 0.5396 0.5396 0.6292 0.6292 0.8013 0.8013 1.1037 1.1037 1.2511 1.2511 1.4664 1.4664 1.9005 1.9005 1.9362 1.9362 2.4332 2.4332 2.5924 2.5924 3.0130 3.0130 4.0983 4.0983 5.1146 5.1146 6.1089 6.1089 6.3365 6.3365 6.7292 6.7292 7.0813 7.0813 7.6024 7.6024 k = 0.0000 0.5265 0.5322 ( 11917 PWs) bands (ev): -13.6165 -13.6165 -13.6140 -13.6140 -13.1917 -13.1917 -12.8354 -12.8354 -9.7752 -9.7752 -9.7641 -9.7641 -9.3473 -9.3473 -9.2443 -9.2443 -8.1728 -8.1728 -6.8879 -6.8879 -4.1627 -4.1627 -4.0880 -4.0880 -3.9043 -3.9043 -3.8750 -3.8750 -2.7849 -2.7849 -2.6400 -2.6400 -2.3631 -2.3631 -2.1137 -2.1137 -0.9151 -0.9151 -0.2784 -0.2784 0.0416 0.0416 0.3280 0.3280 0.4215 0.4215 0.5220 0.5220 0.6306 0.6306 0.7894 0.7894 1.0962 1.0962 1.2452 1.2452 1.4663 1.4663 1.9106 1.9106 1.9409 1.9409 2.4402 2.4402 2.5957 2.5957 3.0203 3.0203 4.1165 4.1165 5.1307 5.1307 6.1080 6.1080 6.3292 6.3292 6.7290 6.7290 7.0853 7.0853 7.5962 7.5962 k = 0.0000 0.5265 0.5322 ( 11917 PWs) bands (ev): -13.6165 -13.6165 -13.6140 -13.6140 -13.1917 -13.1917 -12.8354 -12.8354 -9.7752 -9.7752 -9.7641 -9.7641 -9.3473 -9.3473 -9.2443 -9.2443 -8.1728 -8.1728 -6.8879 -6.8879 -4.1627 -4.1627 -4.0880 -4.0880 -3.9043 -3.9043 -3.8750 -3.8750 -2.7849 -2.7849 -2.6400 -2.6400 -2.3631 -2.3631 -2.1137 -2.1137 -0.9151 -0.9151 -0.2784 -0.2784 0.0416 0.0416 0.3280 0.3280 0.4215 0.4215 0.5220 0.5220 0.6306 0.6306 0.7894 0.7894 1.0962 1.0962 1.2452 1.2452 1.4663 1.4663 1.9106 1.9106 1.9409 1.9409 2.4402 2.4402 2.5957 2.5957 3.0203 3.0203 4.1165 4.1165 5.1307 5.1307 6.1080 6.1080 6.3292 6.3292 6.7290 6.7290 7.0853 7.0853 7.5962 7.5962 k = 0.0000 0.5399 0.5143 ( 11912 PWs) bands (ev): -13.6168 -13.6168 -13.6145 -13.6145 -13.1900 -13.1900 -12.8343 -12.8343 -9.7786 -9.7786 -9.7701 -9.7701 -9.3479 -9.3479 -9.2442 -9.2442 -8.1704 -8.1704 -6.8801 -6.8801 -4.1627 -4.1627 -4.0882 -4.0882 -3.9023 -3.9023 -3.8751 -3.8751 -2.7818 -2.7818 -2.6266 -2.6266 -2.3647 -2.3647 -2.1110 -2.1110 -0.9004 -0.9004 -0.3151 -0.3151 0.0448 0.0448 0.3281 0.3281 0.4034 0.4034 0.5130 0.5130 0.6409 0.6409 0.7727 0.7727 1.0925 1.0925 1.2279 1.2279 1.4633 1.4633 1.9215 1.9215 1.9483 1.9483 2.4487 2.4487 2.5992 2.5992 3.0311 3.0311 4.1381 4.1381 5.1442 5.1442 6.1094 6.1094 6.3242 6.3242 6.7330 6.7330 7.0903 7.0903 7.5930 7.5930 k = 0.0000 0.5533 0.4963 ( 11898 PWs) bands (ev): -13.6170 -13.6170 -13.6150 -13.6150 -13.1886 -13.1886 -12.8335 -12.8335 -9.7812 -9.7812 -9.7749 -9.7749 -9.3483 -9.3483 -9.2441 -9.2441 -8.1685 -8.1685 -6.8739 -6.8739 -4.1627 -4.1627 -4.0884 -4.0884 -3.9007 -3.9007 -3.8752 -3.8752 -2.7796 -2.7796 -2.6147 -2.6147 -2.3663 -2.3663 -2.1090 -2.1090 -0.8880 -0.8880 -0.3450 -0.3450 0.0473 0.0473 0.3285 0.3285 0.3897 0.3897 0.5048 0.5048 0.6515 0.6515 0.7577 0.7577 1.0904 1.0904 1.2131 1.2131 1.4609 1.4609 1.9304 1.9304 1.9538 1.9538 2.4554 2.4554 2.6021 2.6021 3.0395 3.0395 4.1558 4.1558 5.1552 5.1552 6.1104 6.1104 6.3192 6.3192 6.7372 6.7372 7.0943 7.0943 7.5900 7.5900 k = 0.0000 0.5667 0.4784 ( 11886 PWs) bands (ev): -13.6172 -13.6172 -13.6153 -13.6153 -13.1876 -13.1876 -12.8329 -12.8329 -9.7829 -9.7829 -9.7786 -9.7786 -9.3487 -9.3487 -9.2440 -9.2440 -8.1672 -8.1672 -6.8695 -6.8695 -4.1627 -4.1627 -4.0885 -4.0885 -3.8994 -3.8994 -3.8754 -3.8754 -2.7782 -2.7782 -2.6055 -2.6055 -2.3678 -2.3678 -2.1076 -2.1076 -0.8786 -0.8786 -0.3673 -0.3673 0.0490 0.0490 0.3282 0.3282 0.3811 0.3811 0.4978 0.4978 0.6614 0.6614 0.7450 0.7450 1.0893 1.0893 1.2017 1.2017 1.4592 1.4592 1.9372 1.9372 1.9574 1.9574 2.4602 2.4602 2.6041 2.6041 3.0456 3.0456 4.1689 4.1689 5.1634 5.1634 6.1110 6.1110 6.3149 6.3149 6.7409 6.7409 7.0972 7.0972 7.5875 7.5875 k = 0.0000 0.5801 0.4604 ( 11899 PWs) bands (ev): -13.6173 -13.6173 -13.6156 -13.6156 -13.1870 -13.1870 -12.8325 -12.8325 -9.7836 -9.7836 -9.7811 -9.7811 -9.3489 -9.3489 -9.2440 -9.2440 -8.1664 -8.1664 -6.8668 -6.8668 -4.1628 -4.1628 -4.0885 -4.0885 -3.8987 -3.8987 -3.8755 -3.8755 -2.7774 -2.7774 -2.5995 -2.5995 -2.3689 -2.3689 -2.1068 -2.1068 -0.8727 -0.8727 -0.3811 -0.3811 0.0501 0.0501 0.3271 0.3271 0.3772 0.3772 0.4931 0.4931 0.6691 0.6691 0.7357 0.7357 1.0890 1.0890 1.1944 1.1944 1.4582 1.4582 1.9414 1.9414 1.9594 1.9594 2.4632 2.4632 2.6054 2.6054 3.0493 3.0493 4.1770 4.1770 5.1684 5.1684 6.1113 6.1113 6.3121 6.3121 6.7434 6.7434 7.0990 7.0990 7.5859 7.5859 k = 0.0000 0.5935 0.4425 ( 11906 PWs) bands (ev): -13.6173 -13.6173 -13.6156 -13.6156 -13.1868 -13.1868 -12.8324 -12.8324 -9.7837 -9.7837 -9.7821 -9.7821 -9.3490 -9.3490 -9.2440 -9.2440 -8.1661 -8.1661 -6.8659 -6.8659 -4.1628 -4.1628 -4.0885 -4.0885 -3.8984 -3.8984 -3.8755 -3.8755 -2.7771 -2.7771 -2.5975 -2.5975 -2.3693 -2.3693 -2.1066 -2.1066 -0.8707 -0.8707 -0.3858 -0.3858 0.0504 0.0504 0.3266 0.3266 0.3762 0.3762 0.4915 0.4915 0.6722 0.6722 0.7321 0.7321 1.0890 1.0890 1.1919 1.1919 1.4578 1.4578 1.9429 1.9429 1.9600 1.9600 2.4642 2.4642 2.6058 2.6058 3.0505 3.0505 4.1797 4.1797 5.1701 5.1701 6.1114 6.1114 6.3111 6.3111 6.7443 6.7443 7.0996 7.0996 7.5854 7.5854 k = 0.0000 0.5935 0.4425 ( 11906 PWs) bands (ev): -13.6173 -13.6173 -13.6156 -13.6156 -13.1868 -13.1868 -12.8324 -12.8324 -9.7837 -9.7837 -9.7821 -9.7821 -9.3490 -9.3490 -9.2440 -9.2440 -8.1661 -8.1661 -6.8659 -6.8659 -4.1628 -4.1628 -4.0885 -4.0885 -3.8984 -3.8984 -3.8755 -3.8755 -2.7771 -2.7771 -2.5975 -2.5975 -2.3693 -2.3693 -2.1066 -2.1066 -0.8707 -0.8707 -0.3858 -0.3858 0.0504 0.0504 0.3266 0.3266 0.3762 0.3762 0.4915 0.4915 0.6722 0.6722 0.7321 0.7321 1.0890 1.0890 1.1919 1.1919 1.4578 1.4578 1.9429 1.9429 1.9600 1.9600 2.4642 2.4642 2.6058 2.6058 3.0505 3.0505 4.1797 4.1797 5.1701 5.1701 6.1114 6.1114 6.3111 6.3111 6.7443 6.7443 7.0996 7.0996 7.5854 7.5854 k = 0.0238 0.5935 0.4425 ( 11902 PWs) bands (ev): -13.6173 -13.6173 -13.6156 -13.6156 -13.1863 -13.1863 -12.8329 -12.8329 -9.7838 -9.7838 -9.7821 -9.7821 -9.3490 -9.3490 -9.2446 -9.2446 -8.1640 -8.1640 -6.8678 -6.8678 -4.1622 -4.1622 -4.0882 -4.0882 -3.8984 -3.8984 -3.8756 -3.8756 -2.7762 -2.7762 -2.5975 -2.5975 -2.3686 -2.3686 -2.1063 -2.1063 -0.8709 -0.8709 -0.3855 -0.3855 0.0480 0.0480 0.3176 0.3176 0.3806 0.3806 0.4919 0.4919 0.6733 0.6733 0.7322 0.7322 1.0860 1.0860 1.1948 1.1948 1.4626 1.4626 1.9311 1.9311 1.9708 1.9708 2.4634 2.4634 2.6052 2.6052 3.0474 3.0474 4.1821 4.1821 5.1697 5.1697 6.1121 6.1121 6.3115 6.3115 6.7444 6.7444 7.0981 7.0981 7.5886 7.5886 k = 0.0476 0.5935 0.4425 ( 11906 PWs) bands (ev): -13.6173 -13.6173 -13.6156 -13.6156 -13.1850 -13.1850 -12.8346 -12.8346 -9.7839 -9.7839 -9.7822 -9.7822 -9.3492 -9.3492 -9.2462 -9.2462 -8.1577 -8.1577 -6.8733 -6.8733 -4.1607 -4.1607 -4.0871 -4.0871 -3.8984 -3.8984 -3.8759 -3.8759 -2.7736 -2.7736 -2.5976 -2.5976 -2.3665 -2.3665 -2.1053 -2.1053 -0.8716 -0.8716 -0.3848 -0.3848 0.0405 0.0405 0.2960 0.2960 0.3889 0.3889 0.4932 0.4932 0.6756 0.6756 0.7335 0.7335 1.0779 1.0779 1.2029 1.2029 1.4765 1.4765 1.9129 1.9129 1.9862 1.9862 2.4612 2.4612 2.6036 2.6036 3.0381 3.0381 4.1892 4.1892 5.1685 5.1685 6.1142 6.1142 6.3128 6.3128 6.7448 6.7448 7.0938 7.0938 7.5982 7.5982 k = 0.0714 0.5935 0.4425 ( 11896 PWs) bands (ev): -13.6172 -13.6172 -13.6156 -13.6156 -13.1828 -13.1828 -12.8373 -12.8373 -9.7841 -9.7841 -9.7824 -9.7824 -9.3495 -9.3495 -9.2490 -9.2490 -8.1474 -8.1474 -6.8825 -6.8825 -4.1581 -4.1581 -4.0852 -4.0852 -3.8983 -3.8983 -3.8764 -3.8764 -2.7692 -2.7692 -2.5977 -2.5977 -2.3630 -2.3630 -2.1038 -2.1038 -0.8727 -0.8727 -0.3836 -0.3836 0.0284 0.0284 0.2674 0.2674 0.3971 0.3971 0.4946 0.4946 0.6766 0.6766 0.7380 0.7380 1.0668 1.0668 1.2149 1.2149 1.4977 1.4977 1.8938 1.8938 2.0009 2.0009 2.4575 2.4575 2.6008 2.6008 3.0229 3.0229 4.2008 4.2008 5.1664 5.1664 6.1177 6.1177 6.3147 6.3147 6.7454 6.7454 7.0867 7.0867 7.6141 7.6141 k = 0.0952 0.5935 0.4425 ( 11888 PWs) bands (ev): -13.6171 -13.6171 -13.6156 -13.6156 -13.1796 -13.1796 -12.8411 -12.8411 -9.7843 -9.7843 -9.7827 -9.7827 -9.3498 -9.3498 -9.2527 -9.2527 -8.1331 -8.1331 -6.8952 -6.8952 -4.1545 -4.1545 -4.0828 -4.0828 -3.8981 -3.8981 -3.8770 -3.8770 -2.7634 -2.7634 -2.5980 -2.5980 -2.3581 -2.3581 -2.1018 -2.1018 -0.8740 -0.8740 -0.3820 -0.3820 0.0116 0.0116 0.2341 0.2341 0.4045 0.4045 0.4959 0.4959 0.6736 0.6736 0.7475 0.7475 1.0543 1.0543 1.2300 1.2300 1.5242 1.5242 1.8750 1.8750 2.0146 2.0146 2.4525 2.4525 2.5969 2.5969 3.0023 3.0023 4.2166 4.2166 5.1635 5.1635 6.1225 6.1225 6.3171 6.3171 6.7462 6.7462 7.0771 7.0771 7.6361 7.6361 k = 0.1190 0.5935 0.4425 ( 11882 PWs) bands (ev): -13.6171 -13.6171 -13.6155 -13.6155 -13.1756 -13.1756 -12.8459 -12.8459 -9.7846 -9.7846 -9.7830 -9.7830 -9.3503 -9.3503 -9.2573 -9.2573 -8.1150 -8.1150 -6.9115 -6.9115 -4.1500 -4.1500 -4.0797 -4.0797 -3.8980 -3.8980 -3.8778 -3.8778 -2.7562 -2.7562 -2.5983 -2.5983 -2.3517 -2.3517 -2.0993 -2.0993 -0.8755 -0.8755 -0.3800 -0.3800 -0.0097 -0.0097 0.1979 0.1979 0.4112 0.4112 0.4969 0.4969 0.6666 0.6666 0.7619 0.7619 1.0414 1.0414 1.2475 1.2475 1.5534 1.5534 1.8575 1.8575 2.0273 2.0273 2.4464 2.4464 2.5919 2.5919 2.9767 2.9767 4.2363 4.2363 5.1594 5.1594 6.1283 6.1283 6.3198 6.3198 6.7474 6.7474 7.0652 7.0652 7.6640 7.6640 k = 0.1429 0.5935 0.4425 ( 11880 PWs) bands (ev): -13.6169 -13.6169 -13.6155 -13.6155 -13.1708 -13.1708 -12.8517 -12.8517 -9.7849 -9.7849 -9.7834 -9.7834 -9.3508 -9.3508 -9.2626 -9.2626 -8.0933 -8.0933 -6.9310 -6.9310 -4.1447 -4.1447 -4.0760 -4.0760 -3.8978 -3.8978 -3.8788 -3.8788 -2.7480 -2.7480 -2.5987 -2.5987 -2.3438 -2.3438 -2.0964 -2.0964 -0.8770 -0.8770 -0.3778 -0.3778 -0.0354 -0.0354 0.1603 0.1603 0.4172 0.4172 0.4975 0.4975 0.6566 0.6566 0.7796 0.7796 1.0287 1.0287 1.2669 1.2669 1.5828 1.5828 1.8429 1.8429 2.0390 2.0390 2.4394 2.4394 2.5858 2.5858 2.9468 2.9468 4.2596 4.2596 5.1542 5.1542 6.1352 6.1352 6.3223 6.3223 6.7489 6.7489 7.0514 7.0514 7.6974 7.6974 k = 0.1667 0.5935 0.4425 ( 11884 PWs) bands (ev): -13.6168 -13.6168 -13.6154 -13.6154 -13.1651 -13.1651 -12.8585 -12.8585 -9.7853 -9.7853 -9.7839 -9.7839 -9.3513 -9.3513 -9.2684 -9.2684 -8.0682 -8.0682 -6.9538 -6.9538 -4.1386 -4.1386 -4.0720 -4.0720 -3.8977 -3.8977 -3.8799 -3.8799 -2.7389 -2.7389 -2.5993 -2.5993 -2.3342 -2.3342 -2.0933 -2.0933 -0.8782 -0.8782 -0.3755 -0.3755 -0.0654 -0.0654 0.1227 0.1227 0.4227 0.4227 0.4979 0.4979 0.6448 0.6448 0.7992 0.7992 1.0165 1.0165 1.2875 1.2875 1.6094 1.6094 1.8335 1.8335 2.0501 2.0501 2.4316 2.4316 2.5784 2.5784 2.9133 2.9133 4.2861 4.2861 5.1476 5.1476 6.1428 6.1428 6.3245 6.3245 6.7507 6.7507 7.0362 7.0362 7.7360 7.7360 k = 0.1905 0.5935 0.4425 ( 11890 PWs) bands (ev): -13.6167 -13.6167 -13.6154 -13.6154 -13.1587 -13.1587 -12.8662 -12.8662 -9.7857 -9.7857 -9.7844 -9.7844 -9.3519 -9.3519 -9.2746 -9.2746 -8.0401 -8.0401 -6.9797 -6.9797 -4.1318 -4.1318 -4.0676 -4.0676 -3.8975 -3.8975 -3.8812 -3.8812 -2.7292 -2.7292 -2.6000 -2.6000 -2.3231 -2.3231 -2.0900 -2.0900 -0.8790 -0.8790 -0.3733 -0.3733 -0.0994 -0.0994 0.0861 0.0861 0.4276 0.4276 0.4986 0.4986 0.6323 0.6323 0.8194 0.8194 1.0051 1.0051 1.3084 1.3084 1.6304 1.6304 1.8317 1.8317 2.0606 2.0606 2.4234 2.4234 2.5698 2.5698 2.8769 2.8769 4.3155 4.3155 5.1395 5.1395 6.1510 6.1510 6.3260 6.3260 6.7530 6.7530 7.0198 7.0198 7.7795 7.7795 k = 0.2143 0.5935 0.4425 ( 11892 PWs) bands (ev): -13.6166 -13.6166 -13.6153 -13.6153 -13.1514 -13.1514 -12.8747 -12.8747 -9.7862 -9.7862 -9.7849 -9.7849 -9.3524 -9.3524 -9.2812 -9.2812 -8.0090 -8.0090 -7.0083 -7.0083 -4.1245 -4.1245 -4.0630 -4.0630 -3.8974 -3.8974 -3.8826 -3.8826 -2.7193 -2.7193 -2.6009 -2.6009 -2.3104 -2.3104 -2.0866 -2.0866 -0.8790 -0.8790 -0.3716 -0.3716 -0.1367 -0.1367 0.0514 0.0514 0.4315 0.4315 0.4998 0.4998 0.6197 0.6197 0.8389 0.8389 0.9949 0.9949 1.3282 1.3282 1.6445 1.6445 1.8392 1.8392 2.0708 2.0708 2.4151 2.4151 2.5596 2.5596 2.8384 2.8384 4.3474 4.3474 5.1296 5.1296 6.1596 6.1596 6.3266 6.3266 6.7557 6.7557 7.0026 7.0026 7.8273 7.8273 k = 0.2381 0.5935 0.4425 ( 11894 PWs) bands (ev): -13.6164 -13.6164 -13.6152 -13.6152 -13.1434 -13.1434 -12.8841 -12.8841 -9.7866 -9.7866 -9.7854 -9.7854 -9.3529 -9.3529 -9.2878 -9.2878 -7.9754 -7.9754 -7.0397 -7.0397 -4.1168 -4.1168 -4.0583 -4.0583 -3.8972 -3.8972 -3.8841 -3.8841 -2.7093 -2.7093 -2.6019 -2.6019 -2.2963 -2.2963 -2.0835 -2.0835 -0.8780 -0.8780 -0.3713 -0.3713 -0.1759 -0.1759 0.0190 0.0190 0.4345 0.4345 0.5015 0.5015 0.6080 0.6080 0.8558 0.8558 0.9873 0.9873 1.3453 1.3453 1.6533 1.6533 1.8550 1.8550 2.0810 2.0810 2.4070 2.4070 2.5477 2.5477 2.7987 2.7987 4.3816 4.3816 5.1178 5.1178 6.1685 6.1685 6.3261 6.3261 6.7589 6.7589 6.9852 6.9852 7.8788 7.8788 k = 0.2619 0.5935 0.4425 ( 11896 PWs) bands (ev): -13.6163 -13.6163 -13.6152 -13.6152 -13.1347 -13.1347 -12.8941 -12.8941 -9.7871 -9.7871 -9.7860 -9.7860 -9.3532 -9.3532 -9.2944 -9.2944 -7.9393 -7.9393 -7.0735 -7.0735 -4.1087 -4.1087 -4.0537 -4.0537 -3.8971 -3.8971 -3.8856 -3.8856 -2.6995 -2.6995 -2.6032 -2.6032 -2.2807 -2.2807 -2.0807 -2.0807 -0.8757 -0.8757 -0.3742 -0.3742 -0.2143 -0.2143 -0.0112 -0.0112 0.4365 0.4365 0.5035 0.5035 0.5981 0.5981 0.8673 0.8673 0.9847 0.9847 1.3578 1.3578 1.6611 1.6611 1.8758 1.8758 2.0913 2.0913 2.3995 2.3995 2.5337 2.5337 2.7588 2.7588 4.4178 4.4178 5.1038 5.1038 6.1774 6.1774 6.3243 6.3243 6.7626 6.7626 6.9677 6.9677 7.9337 7.9337 k = 0.2857 0.5935 0.4425 ( 11898 PWs) bands (ev): -13.6161 -13.6161 -13.6151 -13.6151 -13.1253 -13.1253 -12.9048 -12.9048 -9.7875 -9.7875 -9.7865 -9.7865 -9.3535 -9.3535 -9.3010 -9.3010 -7.9012 -7.9012 -7.1097 -7.1097 -4.1005 -4.1005 -4.0493 -4.0493 -3.8970 -3.8970 -3.8872 -3.8872 -2.6900 -2.6900 -2.6047 -2.6047 -2.2641 -2.2641 -2.0784 -2.0784 -0.8717 -0.8717 -0.3835 -0.3835 -0.2475 -0.2475 -0.0393 -0.0393 0.4376 0.4376 0.5049 0.5049 0.5914 0.5914 0.8704 0.8704 0.9897 0.9897 1.3637 1.3637 1.6722 1.6722 1.8983 1.8983 2.1019 2.1019 2.3928 2.3928 2.5174 2.5174 2.7197 2.7197 4.4557 4.4557 5.0876 5.0876 6.1863 6.1863 6.3213 6.3213 6.7669 6.7669 6.9506 6.9506 7.9911 7.9911 k = 0.3095 0.5935 0.4425 ( 11892 PWs) bands (ev): -13.6160 -13.6160 -13.6151 -13.6151 -13.1152 -13.1152 -12.9161 -12.9161 -9.7880 -9.7880 -9.7871 -9.7871 -9.3536 -9.3536 -9.3073 -9.3073 -7.8612 -7.8612 -7.1478 -7.1478 -4.0922 -4.0922 -4.0452 -4.0452 -3.8970 -3.8970 -3.8888 -3.8888 -2.6811 -2.6811 -2.6064 -2.6064 -2.2465 -2.2465 -2.0769 -2.0769 -0.8657 -0.8657 -0.4037 -0.4037 -0.2701 -0.2701 -0.0657 -0.0657 0.4382 0.4382 0.5045 0.5045 0.5892 0.5892 0.8646 0.8646 1.0026 1.0026 1.3623 1.3623 1.6890 1.6890 1.9199 1.9199 2.1129 2.1129 2.3869 2.3869 2.4985 2.4985 2.6825 2.6825 4.4951 4.4951 5.0688 5.0688 6.1950 6.1950 6.3171 6.3171 6.7717 6.7717 6.9341 6.9341 8.0505 8.0505 k = 0.3333 0.5935 0.4425 ( 11884 PWs) bands (ev): -13.6158 -13.6158 -13.6150 -13.6150 -13.1046 -13.1046 -12.9279 -12.9279 -9.7884 -9.7884 -9.7876 -9.7876 -9.3535 -9.3535 -9.3133 -9.3133 -7.8195 -7.8195 -7.1878 -7.1878 -4.0840 -4.0840 -4.0416 -4.0416 -3.8970 -3.8970 -3.8903 -3.8903 -2.6727 -2.6727 -2.6084 -2.6084 -2.2283 -2.2283 -2.0763 -2.0763 -0.8573 -0.8573 -0.4355 -0.4355 -0.2805 -0.2805 -0.0904 -0.0904 0.4386 0.4386 0.5014 0.5014 0.5923 0.5923 0.8521 0.8521 1.0214 1.0214 1.3539 1.3539 1.7120 1.7120 1.9388 1.9388 2.1242 2.1242 2.3811 2.3811 2.4780 2.4780 2.6482 2.6482 4.5356 4.5356 5.0474 5.0474 6.2036 6.2036 6.3117 6.3117 6.7772 6.7772 6.9183 6.9183 8.1111 8.1111 k = 0.3571 0.5935 0.4425 ( 11890 PWs) bands (ev): -13.6157 -13.6157 -13.6150 -13.6150 -13.0935 -13.0935 -12.9402 -12.9402 -9.7887 -9.7887 -9.7880 -9.7880 -9.3531 -9.3531 -9.3190 -9.3190 -7.7764 -7.7764 -7.2294 -7.2294 -4.0760 -4.0760 -4.0386 -4.0386 -3.8970 -3.8970 -3.8917 -3.8917 -2.6649 -2.6649 -2.6106 -2.6106 -2.2100 -2.2100 -2.0769 -2.0769 -0.8463 -0.8463 -0.4747 -0.4747 -0.2820 -0.2820 -0.1137 -0.1137 0.4390 0.4390 0.4959 0.4959 0.6004 0.6004 0.8354 0.8354 1.0436 1.0436 1.3396 1.3396 1.7404 1.7404 1.9541 1.9541 2.1356 2.1356 2.3732 2.3732 2.4583 2.4583 2.6175 2.6175 4.5771 4.5771 5.0234 5.0234 6.2119 6.2119 6.3055 6.3055 6.7832 6.7832 6.9034 6.9034 8.1725 8.1725 k = 0.3810 0.5935 0.4425 ( 11878 PWs) bands (ev): -13.6156 -13.6156 -13.6150 -13.6150 -13.0818 -13.0818 -12.9528 -12.9528 -9.7890 -9.7890 -9.7885 -9.7885 -9.3525 -9.3525 -9.3243 -9.3243 -7.7322 -7.7322 -7.2724 -7.2724 -4.0684 -4.0684 -4.0364 -4.0364 -3.8971 -3.8971 -3.8930 -3.8930 -2.6577 -2.6577 -2.6131 -2.6131 -2.1917 -2.1917 -2.0789 -2.0789 -0.8324 -0.8324 -0.5171 -0.5171 -0.2783 -0.2783 -0.1356 -0.1356 0.4399 0.4399 0.4889 0.4889 0.6125 0.6125 0.8160 0.8160 1.0677 1.0677 1.3211 1.3211 1.7726 1.7726 1.9648 1.9648 2.1472 2.1472 2.3591 2.3591 2.4447 2.4447 2.5901 2.5901 4.6191 4.6191 4.9966 4.9966 6.2200 6.2200 6.2985 6.2985 6.7898 6.7898 6.8893 6.8893 8.2338 8.2338 k = 0.4048 0.5935 0.4425 ( 11876 PWs) bands (ev): -13.6155 -13.6155 -13.6150 -13.6150 -13.0698 -13.0698 -12.9657 -12.9657 -9.7893 -9.7893 -9.7888 -9.7888 -9.3516 -9.3516 -9.3292 -9.3292 -7.6870 -7.6870 -7.3166 -7.3166 -4.0613 -4.0613 -4.0352 -4.0352 -3.8971 -3.8971 -3.8941 -3.8941 -2.6511 -2.6511 -2.6159 -2.6159 -2.1740 -2.1740 -2.0824 -2.0824 -0.8153 -0.8153 -0.5598 -0.5598 -0.2715 -0.2715 -0.1561 -0.1561 0.4413 0.4413 0.4814 0.4814 0.6276 0.6276 0.7950 0.7950 1.0930 1.0930 1.2995 1.2995 1.8069 1.8069 1.9705 1.9705 2.1591 2.1591 2.3364 2.3364 2.4410 2.4410 2.5657 2.5657 4.6614 4.6614 4.9672 4.9672 6.2279 6.2279 6.2910 6.2910 6.7970 6.7970 6.8761 6.8761 8.2946 8.2946 k = 0.4286 0.5935 0.4425 ( 11874 PWs) bands (ev): -13.6153 -13.6153 -13.6150 -13.6150 -13.0573 -13.0573 -12.9788 -12.9788 -9.7895 -9.7895 -9.7891 -9.7891 -9.3503 -9.3503 -9.3336 -9.3336 -7.6410 -7.6410 -7.3618 -7.3618 -4.0549 -4.0549 -4.0349 -4.0349 -3.8972 -3.8972 -3.8951 -3.8951 -2.6451 -2.6451 -2.6190 -2.6190 -2.1571 -2.1571 -2.0877 -2.0877 -0.7949 -0.7949 -0.6016 -0.6016 -0.2623 -0.2623 -0.1754 -0.1754 0.4434 0.4434 0.4739 0.4739 0.6450 0.6450 0.7730 0.7730 1.1189 1.1189 1.2758 1.2758 1.8415 1.8415 1.9704 1.9704 2.1719 2.1719 2.3080 2.3080 2.4459 2.4459 2.5435 2.5435 4.7036 4.7036 4.9352 4.9352 6.2358 6.2358 6.2831 6.2831 6.8047 6.8047 6.8638 6.8638 8.3542 8.3542 k = 0.4524 0.5935 0.4425 ( 11882 PWs) bands (ev): -13.6152 -13.6152 -13.6150 -13.6150 -13.0446 -13.0446 -12.9920 -12.9920 -9.7896 -9.7896 -9.7894 -9.7894 -9.3486 -9.3486 -9.3375 -9.3375 -7.5946 -7.5946 -7.4077 -7.4077 -4.0492 -4.0492 -4.0357 -4.0357 -3.8971 -3.8971 -3.8958 -3.8958 -2.6397 -2.6397 -2.6223 -2.6223 -2.1414 -2.1414 -2.0948 -2.0948 -0.7710 -0.7710 -0.6413 -0.6413 -0.2514 -0.2514 -0.1933 -0.1933 0.4464 0.4464 0.4668 0.4668 0.6641 0.6641 0.7506 0.7506 1.1453 1.1453 1.2508 1.2508 1.8749 1.8749 1.9639 1.9639 2.1866 2.1866 2.2782 2.2782 2.4562 2.4562 2.5230 2.5230 4.7454 4.7454 4.9009 4.9009 6.2436 6.2436 6.2752 6.2752 6.8130 6.8130 6.8523 6.8523 8.4122 8.4122 k = 0.4762 0.5935 0.4425 ( 11878 PWs) bands (ev): -13.6152 -13.6152 -13.6150 -13.6150 -13.0316 -13.0316 -13.0053 -13.0053 -9.7897 -9.7897 -9.7895 -9.7895 -9.3465 -9.3465 -9.3410 -9.3410 -7.5478 -7.5478 -7.4541 -7.4541 -4.0443 -4.0443 -4.0375 -4.0375 -3.8970 -3.8970 -3.8964 -3.8964 -2.6347 -2.6347 -2.6261 -2.6261 -2.1271 -2.1271 -2.1037 -2.1037 -0.7435 -0.7435 -0.6785 -0.6785 -0.2390 -0.2390 -0.2099 -0.2099 0.4502 0.4502 0.4605 0.4605 0.6846 0.6846 0.7281 0.7281 1.1719 1.1719 1.2249 1.2249 1.9053 1.9053 1.9508 1.9508 2.2040 2.2040 2.2500 2.2500 2.4699 2.4699 2.5038 2.5038 4.7864 4.7864 4.8645 4.8645 6.2514 6.2514 6.2672 6.2672 6.8219 6.8219 6.8415 6.8415 8.4680 8.4680 k = 0.5000 0.5935 0.4425 ( 11880 PWs) bands (ev): -13.6151 -13.6151 -13.6151 -13.6151 -13.0185 -13.0185 -13.0185 -13.0185 -9.7896 -9.7896 -9.7896 -9.7896 -9.3440 -9.3440 -9.3440 -9.3440 -7.5009 -7.5009 -7.5009 -7.5009 -4.0404 -4.0404 -4.0404 -4.0404 -3.8968 -3.8968 -3.8968 -3.8968 -2.6302 -2.6302 -2.6302 -2.6302 -2.1145 -2.1145 -2.1145 -2.1145 -0.7127 -0.7127 -0.7127 -0.7127 -0.2251 -0.2251 -0.2251 -0.2251 0.4549 0.4549 0.4549 0.4549 0.7060 0.7060 0.7060 0.7060 1.1985 1.1985 1.1985 1.1985 1.9310 1.9310 1.9310 1.9310 2.2251 2.2251 2.2251 2.2251 2.4861 2.4861 2.4861 2.4861 4.8262 4.8262 4.8262 4.8262 6.2593 6.2593 6.2593 6.2593 6.8314 6.8314 6.8314 6.8314 8.5209 8.5209 k = 0.5000 0.5935 0.4425 ( 11880 PWs) bands (ev): -13.6151 -13.6151 -13.6151 -13.6151 -13.0185 -13.0185 -13.0185 -13.0185 -9.7896 -9.7896 -9.7896 -9.7896 -9.3440 -9.3440 -9.3440 -9.3440 -7.5009 -7.5009 -7.5009 -7.5009 -4.0404 -4.0404 -4.0404 -4.0404 -3.8968 -3.8968 -3.8968 -3.8968 -2.6302 -2.6302 -2.6302 -2.6302 -2.1145 -2.1145 -2.1145 -2.1145 -0.7127 -0.7127 -0.7127 -0.7127 -0.2251 -0.2251 -0.2251 -0.2251 0.4549 0.4549 0.4549 0.4549 0.7060 0.7060 0.7060 0.7060 1.1985 1.1985 1.1985 1.1985 1.9310 1.9310 1.9310 1.9310 2.2251 2.2251 2.2251 2.2251 2.4861 2.4861 2.4861 2.4861 4.8262 4.8262 4.8262 4.8262 6.2593 6.2593 6.2593 6.2593 6.8314 6.8314 6.8314 6.8314 8.5209 8.5209 k = 0.5000 0.6068 0.4245 ( 11880 PWs) bands (ev): -13.6150 -13.6150 -13.6150 -13.6150 -13.0187 -13.0187 -13.0186 -13.0186 -9.7892 -9.7892 -9.7890 -9.7890 -9.3439 -9.3439 -9.3438 -9.3438 -7.5017 -7.5017 -7.5014 -7.5014 -4.0404 -4.0404 -4.0404 -4.0404 -3.8971 -3.8971 -3.8967 -3.8967 -2.6336 -2.6336 -2.6286 -2.6286 -2.1151 -2.1151 -2.1147 -2.1147 -0.7149 -0.7149 -0.7122 -0.7122 -0.2253 -0.2253 -0.2177 -0.2177 0.4535 0.4535 0.4578 0.4578 0.7039 0.7039 0.7080 0.7080 1.1990 1.1990 1.1994 1.1994 1.9254 1.9254 1.9342 1.9342 2.2226 2.2226 2.2263 2.2263 2.4811 2.4811 2.4906 2.4906 4.8198 4.8198 4.8291 4.8291 6.2586 6.2586 6.2602 6.2602 6.8283 6.8283 6.8341 6.8341 8.5211 8.5225 k = 0.5000 0.6202 0.4066 ( 11882 PWs) bands (ev): -13.6149 -13.6149 -13.6148 -13.6148 -13.0193 -13.0193 -13.0191 -13.0191 -9.7876 -9.7876 -9.7873 -9.7873 -9.3436 -9.3436 -9.3436 -9.3436 -7.5037 -7.5037 -7.5031 -7.5031 -4.0404 -4.0404 -4.0404 -4.0404 -3.8976 -3.8976 -3.8968 -3.8968 -2.6388 -2.6388 -2.6288 -2.6288 -2.1165 -2.1165 -2.1156 -2.1156 -0.7186 -0.7186 -0.7134 -0.7134 -0.2186 -0.2186 -0.2033 -0.2033 0.4537 0.4537 0.4621 0.4621 0.7019 0.7019 0.7097 0.7097 1.2010 1.2010 1.2018 1.2018 1.9174 1.9174 1.9352 1.9352 2.2188 2.2188 2.2260 2.2260 2.4760 2.4760 2.4947 2.4947 4.8102 4.8102 4.8287 4.8287 6.2582 6.2582 6.2613 6.2613 6.8248 6.8248 6.8364 6.8364 8.5231 8.5245 k = 0.5000 0.6336 0.3886 ( 11880 PWs) bands (ev): -13.6146 -13.6146 -13.6146 -13.6146 -13.0202 -13.0202 -13.0200 -13.0200 -9.7849 -9.7849 -9.7845 -9.7845 -9.3432 -9.3432 -9.3431 -9.3431 -7.5069 -7.5069 -7.5061 -7.5061 -4.0404 -4.0404 -4.0404 -4.0404 -3.8983 -3.8983 -3.8972 -3.8972 -2.6457 -2.6457 -2.6307 -2.6307 -2.1187 -2.1187 -2.1171 -2.1171 -0.7235 -0.7235 -0.7162 -0.7162 -0.2052 -0.2052 -0.1822 -0.1822 0.4553 0.4553 0.4678 0.4678 0.6999 0.6999 0.7112 0.7112 1.2044 1.2044 1.2054 1.2054 1.9072 1.9072 1.9339 1.9339 2.2140 2.2140 2.2243 2.2243 2.4707 2.4707 2.4980 2.4980 4.7977 4.7977 4.8249 4.8249 6.2580 6.2580 6.2626 6.2626 6.8211 6.8211 6.8383 6.8383 8.5271 8.5278 k = 0.5000 0.6470 0.3707 ( 11880 PWs) bands (ev): -13.6143 -13.6143 -13.6142 -13.6142 -13.0214 -13.0214 -13.0211 -13.0211 -9.7812 -9.7812 -9.7806 -9.7806 -9.3426 -9.3426 -9.3424 -9.3424 -7.5114 -7.5114 -7.5103 -7.5103 -4.0404 -4.0404 -4.0404 -4.0404 -3.8992 -3.8992 -3.8977 -3.8977 -2.6540 -2.6540 -2.6343 -2.6343 -2.1218 -2.1218 -2.1194 -2.1194 -0.7292 -0.7292 -0.7204 -0.7204 -0.1857 -0.1857 -0.1549 -0.1549 0.4584 0.4584 0.4746 0.4746 0.6982 0.6982 0.7124 0.7124 1.2092 1.2092 1.2102 1.2102 1.8948 1.8948 1.9307 1.9307 2.2082 2.2082 2.2210 2.2210 2.4654 2.4654 2.5005 2.5005 4.7825 4.7825 4.8182 4.8182 6.2579 6.2579 6.2639 6.2639 6.8173 6.8173 6.8397 6.8397 8.5328 8.5329 k = 0.5000 0.6604 0.3527 ( 11870 PWs) bands (ev): -13.6138 -13.6138 -13.6138 -13.6138 -13.0229 -13.0229 -13.0226 -13.0226 -9.7764 -9.7764 -9.7758 -9.7758 -9.3418 -9.3418 -9.3416 -9.3416 -7.5170 -7.5170 -7.5157 -7.5157 -4.0403 -4.0403 -4.0403 -4.0403 -3.9003 -3.9003 -3.8985 -3.8985 -2.6634 -2.6634 -2.6392 -2.6392 -2.1258 -2.1258 -2.1224 -2.1224 -0.7354 -0.7354 -0.7256 -0.7256 -0.1606 -0.1606 -0.1221 -0.1221 0.4628 0.4628 0.4823 0.4823 0.6971 0.6971 0.7133 0.7133 1.2153 1.2153 1.2160 1.2160 1.8804 1.8804 1.9256 1.9256 2.2015 2.2015 2.2161 2.2161 2.4601 2.4601 2.5019 2.5019 4.7654 4.7654 4.8089 4.8089 6.2578 6.2578 6.2650 6.2650 6.8133 6.8133 6.8406 6.8406 8.5402 8.5403 k = 0.5000 0.6604 0.3527 ( 11870 PWs) bands (ev): -13.6138 -13.6138 -13.6138 -13.6138 -13.0229 -13.0229 -13.0226 -13.0226 -9.7764 -9.7764 -9.7758 -9.7758 -9.3418 -9.3418 -9.3416 -9.3416 -7.5170 -7.5170 -7.5157 -7.5157 -4.0403 -4.0403 -4.0403 -4.0403 -3.9003 -3.9003 -3.8985 -3.8985 -2.6634 -2.6634 -2.6392 -2.6392 -2.1258 -2.1258 -2.1224 -2.1224 -0.7354 -0.7354 -0.7256 -0.7256 -0.1606 -0.1606 -0.1221 -0.1221 0.4628 0.4628 0.4823 0.4823 0.6971 0.6971 0.7133 0.7133 1.2153 1.2153 1.2160 1.2160 1.8804 1.8804 1.9256 1.9256 2.2015 2.2015 2.2161 2.2161 2.4601 2.4601 2.5019 2.5019 4.7654 4.7654 4.8089 4.8089 6.2578 6.2578 6.2650 6.2650 6.8133 6.8133 6.8406 6.8406 8.5402 8.5408 k = 0.5000 0.6568 0.3294 ( 11876 PWs) bands (ev): -13.6135 -13.6135 -13.6134 -13.6134 -13.0235 -13.0235 -13.0232 -13.0232 -9.7757 -9.7757 -9.7751 -9.7751 -9.3407 -9.3407 -9.3405 -9.3405 -7.5186 -7.5186 -7.5174 -7.5174 -4.0405 -4.0405 -4.0403 -4.0403 -3.9020 -3.9020 -3.8999 -3.8999 -2.6677 -2.6677 -2.6456 -2.6456 -2.1256 -2.1256 -2.1238 -2.1238 -0.7335 -0.7335 -0.7232 -0.7232 -0.1393 -0.1393 -0.0891 -0.0891 0.4663 0.4663 0.4699 0.4699 0.6921 0.6921 0.7052 0.7052 1.2152 1.2152 1.2172 1.2172 1.8670 1.8670 1.9118 1.9118 2.1993 2.1993 2.2176 2.2176 2.4634 2.4634 2.5085 2.5085 4.7599 4.7599 4.8014 4.8014 6.2591 6.2591 6.2617 6.2617 6.8099 6.8099 6.8430 6.8430 8.5426 8.5436 k = 0.5000 0.6533 0.3061 ( 11876 PWs) bands (ev): -13.6131 -13.6131 -13.6131 -13.6131 -13.0243 -13.0243 -13.0240 -13.0240 -9.7748 -9.7748 -9.7742 -9.7742 -9.3393 -9.3393 -9.3391 -9.3391 -7.5208 -7.5208 -7.5197 -7.5197 -4.0406 -4.0406 -4.0404 -4.0404 -3.9041 -3.9041 -3.9018 -3.9018 -2.6724 -2.6724 -2.6523 -2.6523 -2.1255 -2.1255 -2.1252 -2.1252 -0.7312 -0.7312 -0.7203 -0.7203 -0.1155 -0.1155 -0.0535 -0.0535 0.4576 0.4576 0.4706 0.4706 0.6873 0.6873 0.6968 0.6968 1.2148 1.2148 1.2178 1.2178 1.8511 1.8511 1.8961 1.8961 2.1983 2.1983 2.2184 2.2184 2.4674 2.4674 2.5141 2.5141 4.7547 4.7547 4.7940 4.7940 6.2581 6.2581 6.2598 6.2598 6.8070 6.8070 6.8452 6.8452 8.5323 8.5335 k = 0.5000 0.6498 0.2828 ( 11878 PWs) bands (ev): -13.6128 -13.6128 -13.6127 -13.6127 -13.0250 -13.0250 -13.0247 -13.0247 -9.7737 -9.7737 -9.7731 -9.7731 -9.3376 -9.3376 -9.3375 -9.3375 -7.5235 -7.5235 -7.5225 -7.5225 -4.0407 -4.0407 -4.0404 -4.0404 -3.9065 -3.9065 -3.9040 -3.9040 -2.6774 -2.6774 -2.6592 -2.6592 -2.1266 -2.1266 -2.1257 -2.1257 -0.7285 -0.7285 -0.7171 -0.7171 -0.0898 -0.0898 -0.0158 -0.0158 0.4457 0.4457 0.4759 0.4759 0.6828 0.6828 0.6887 0.6887 1.2136 1.2136 1.2172 1.2172 1.8334 1.8334 1.8789 1.8789 2.1986 2.1986 2.2187 2.2187 2.4715 2.4715 2.5185 2.5185 4.7500 4.7500 4.7870 4.7870 6.2542 6.2542 6.2597 6.2597 6.8048 6.8048 6.8474 6.8474 8.5124 8.5124 k = 0.5000 0.6463 0.2596 ( 11896 PWs) bands (ev): -13.6125 -13.6125 -13.6124 -13.6124 -13.0258 -13.0258 -13.0256 -13.0256 -9.7724 -9.7724 -9.7718 -9.7718 -9.3357 -9.3357 -9.3356 -9.3356 -7.5266 -7.5266 -7.5257 -7.5257 -4.0409 -4.0409 -4.0404 -4.0404 -3.9091 -3.9091 -3.9064 -3.9064 -2.6825 -2.6825 -2.6662 -2.6662 -2.1279 -2.1279 -2.1260 -2.1260 -0.7253 -0.7253 -0.7134 -0.7134 -0.0629 -0.0629 0.0234 0.0234 0.4340 0.4340 0.4821 0.4821 0.6790 0.6790 0.6812 0.6812 1.2114 1.2114 1.2152 1.2152 1.8146 1.8146 1.8608 1.8608 2.1999 2.1999 2.2188 2.2188 2.4752 2.4752 2.5212 2.5212 4.7459 4.7459 4.7806 4.7806 6.2503 6.2503 6.2591 6.2591 6.8032 6.8032 6.8494 6.8494 8.4862 8.4862 k = 0.5000 0.6428 0.2363 ( 11894 PWs) bands (ev): -13.6121 -13.6121 -13.6121 -13.6121 -13.0267 -13.0267 -13.0264 -13.0264 -9.7710 -9.7710 -9.7704 -9.7704 -9.3335 -9.3335 -9.3335 -9.3335 -7.5301 -7.5301 -7.5292 -7.5292 -4.0410 -4.0410 -4.0405 -4.0405 -3.9119 -3.9119 -3.9091 -3.9091 -2.6878 -2.6878 -2.6732 -2.6732 -2.1291 -2.1291 -2.1264 -2.1264 -0.7215 -0.7215 -0.7092 -0.7092 -0.0352 -0.0352 0.0634 0.0634 0.4228 0.4228 0.4888 0.4888 0.6747 0.6747 0.6761 0.6761 1.2080 1.2080 1.2116 1.2116 1.7954 1.7954 1.8423 1.8423 2.2019 2.2019 2.2190 2.2190 2.4779 2.4779 2.5221 2.5221 4.7425 4.7425 4.7748 4.7748 6.2462 6.2462 6.2578 6.2578 6.8022 6.8022 6.8512 6.8512 8.4564 8.4564 k = 0.5000 0.6392 0.2130 ( 11888 PWs) bands (ev): -13.6118 -13.6118 -13.6118 -13.6118 -13.0275 -13.0275 -13.0273 -13.0273 -9.7695 -9.7695 -9.7690 -9.7690 -9.3313 -9.3313 -9.3312 -9.3312 -7.5339 -7.5339 -7.5330 -7.5330 -4.0411 -4.0411 -4.0405 -4.0405 -3.9148 -3.9148 -3.9120 -3.9120 -2.6931 -2.6931 -2.6801 -2.6801 -2.1302 -2.1302 -2.1270 -2.1270 -0.7171 -0.7171 -0.7045 -0.7045 -0.0073 -0.0073 0.1035 0.1035 0.4121 0.4121 0.4959 0.4959 0.6700 0.6700 0.6745 0.6745 1.2032 1.2032 1.2062 1.2062 1.7763 1.7763 1.8239 1.8239 2.2046 2.2046 2.2193 2.2193 2.4794 2.4794 2.5211 2.5211 4.7401 4.7401 4.7698 4.7698 6.2420 6.2420 6.2558 6.2558 6.8019 6.8019 6.8528 6.8528 8.4249 8.4249 k = 0.5000 0.6357 0.1897 ( 11902 PWs) bands (ev): -13.6115 -13.6115 -13.6115 -13.6115 -13.0283 -13.0283 -13.0281 -13.0281 -9.7679 -9.7679 -9.7674 -9.7674 -9.3289 -9.3289 -9.3289 -9.3289 -7.5378 -7.5378 -7.5371 -7.5371 -4.0413 -4.0413 -4.0406 -4.0406 -3.9179 -3.9179 -3.9150 -3.9150 -2.6983 -2.6983 -2.6869 -2.6869 -2.1312 -2.1312 -2.1276 -2.1276 -0.7123 -0.7123 -0.6995 -0.6995 0.0202 0.0202 0.1429 0.1429 0.4023 0.4023 0.5029 0.5029 0.6675 0.6675 0.6742 0.6742 1.1967 1.1967 1.1988 1.1988 1.7581 1.7581 1.8058 1.8058 2.2076 2.2076 2.2200 2.2200 2.4794 2.4794 2.5183 2.5183 4.7385 4.7385 4.7657 4.7657 6.2379 6.2379 6.2533 6.2533 6.8023 6.8023 6.8541 6.8541 8.3931 8.3931 k = 0.5000 0.6322 0.1664 ( 11902 PWs) bands (ev): -13.6113 -13.6113 -13.6112 -13.6112 -13.0292 -13.0292 -13.0290 -13.0290 -9.7663 -9.7663 -9.7659 -9.7659 -9.3265 -9.3265 -9.3265 -9.3265 -7.5419 -7.5419 -7.5412 -7.5412 -4.0415 -4.0415 -4.0407 -4.0407 -3.9209 -3.9209 -3.9181 -3.9181 -2.7034 -2.7034 -2.6934 -2.6934 -2.1321 -2.1321 -2.1283 -2.1283 -0.7070 -0.7070 -0.6942 -0.6942 0.0469 0.0469 0.1804 0.1804 0.3941 0.3941 0.5093 0.5093 0.6677 0.6677 0.6754 0.6754 1.1885 1.1885 1.1895 1.1895 1.7411 1.7411 1.7884 1.7884 2.2107 2.2107 2.2209 2.2209 2.4779 2.4779 2.5137 2.5137 4.7378 4.7378 4.7626 4.7626 6.2338 6.2338 6.2503 6.2503 6.8033 6.8033 6.8552 6.8552 8.3617 8.3617 k = 0.5000 0.6287 0.1431 ( 11914 PWs) bands (ev): -13.6110 -13.6110 -13.6110 -13.6110 -13.0300 -13.0300 -13.0298 -13.0298 -9.7648 -9.7648 -9.7643 -9.7643 -9.3240 -9.3240 -9.3240 -9.3240 -7.5460 -7.5460 -7.5454 -7.5454 -4.0416 -4.0416 -4.0409 -4.0409 -3.9239 -3.9239 -3.9211 -3.9211 -2.7083 -2.7083 -2.6996 -2.6996 -2.1329 -2.1329 -2.1290 -2.1290 -0.7014 -0.7014 -0.6888 -0.6888 0.0723 0.0723 0.2145 0.2145 0.3884 0.3884 0.5148 0.5148 0.6711 0.6711 0.6782 0.6782 1.1784 1.1784 1.1787 1.1787 1.7257 1.7257 1.7720 1.7720 2.2138 2.2138 2.2222 2.2222 2.4748 2.4748 2.5076 2.5076 4.7381 4.7381 4.7603 4.7603 6.2299 6.2299 6.2469 6.2469 6.8050 6.8050 6.8559 6.8559 8.3314 8.3314 k = 0.5000 0.6251 0.1198 ( 11918 PWs) bands (ev): -13.6108 -13.6108 -13.6107 -13.6107 -13.0307 -13.0307 -13.0306 -13.0306 -9.7632 -9.7632 -9.7628 -9.7628 -9.3216 -9.3216 -9.3216 -9.3216 -7.5500 -7.5500 -7.5495 -7.5495 -4.0418 -4.0418 -4.0410 -4.0410 -3.9268 -3.9268 -3.9242 -3.9242 -2.7129 -2.7129 -2.7054 -2.7054 -2.1336 -2.1336 -2.1297 -2.1297 -0.6955 -0.6955 -0.6834 -0.6834 0.0963 0.0963 0.2429 0.2429 0.3872 0.3872 0.5191 0.5191 0.6775 0.6775 0.6825 0.6825 1.1656 1.1656 1.1674 1.1674 1.7122 1.7122 1.7567 1.7567 2.2167 2.2167 2.2236 2.2236 2.4706 2.4706 2.5003 2.5003 4.7391 4.7391 4.7589 4.7589 6.2262 6.2262 6.2431 6.2431 6.8071 6.8071 6.8563 6.8563 8.3027 8.3027 k = 0.5000 0.6216 0.0965 ( 11922 PWs) bands (ev): -13.6106 -13.6106 -13.6105 -13.6105 -13.0315 -13.0315 -13.0313 -13.0313 -9.7617 -9.7617 -9.7613 -9.7613 -9.3193 -9.3193 -9.3193 -9.3193 -7.5539 -7.5539 -7.5534 -7.5534 -4.0420 -4.0420 -4.0412 -4.0412 -3.9296 -3.9296 -3.9271 -3.9271 -2.7172 -2.7172 -2.7108 -2.7108 -2.1342 -2.1342 -2.1304 -2.1304 -0.6896 -0.6896 -0.6781 -0.6781 0.1185 0.1185 0.2627 0.2627 0.3927 0.3927 0.5223 0.5223 0.6865 0.6865 0.6883 0.6883 1.1517 1.1517 1.1548 1.1548 1.7008 1.7008 1.7426 1.7426 2.2193 2.2193 2.2251 2.2251 2.4654 2.4654 2.4921 2.4921 4.7408 4.7408 4.7582 4.7582 6.2228 6.2228 6.2392 6.2392 6.8098 6.8098 6.8563 6.8563 8.2759 8.2759 k = 0.5000 0.6181 0.0733 ( 11918 PWs) bands (ev): -13.6104 -13.6104 -13.6103 -13.6103 -13.0321 -13.0321 -13.0320 -13.0320 -9.7603 -9.7603 -9.7600 -9.7600 -9.3171 -9.3171 -9.3171 -9.3171 -7.5576 -7.5576 -7.5572 -7.5572 -4.0421 -4.0421 -4.0414 -4.0414 -3.9321 -3.9321 -3.9298 -3.9298 -2.7210 -2.7210 -2.7157 -2.7157 -2.1346 -2.1346 -2.1312 -2.1312 -0.6838 -0.6838 -0.6731 -0.6731 0.1387 0.1387 0.2727 0.2727 0.4058 0.4058 0.5245 0.5245 0.6954 0.6954 0.6975 0.6975 1.1371 1.1371 1.1415 1.1415 1.6914 1.6914 1.7298 1.7298 2.2215 2.2215 2.2265 2.2265 2.4597 2.4597 2.4834 2.4834 4.7430 4.7430 4.7581 4.7581 6.2198 6.2198 6.2351 6.2351 6.8130 6.8130 6.8558 6.8558 8.2515 8.2515 k = 0.5000 0.6146 0.0500 ( 11924 PWs) bands (ev): -13.6102 -13.6102 -13.6102 -13.6102 -13.0327 -13.0327 -13.0326 -13.0326 -9.7590 -9.7590 -9.7587 -9.7587 -9.3151 -9.3151 -9.3151 -9.3151 -7.5609 -7.5609 -7.5606 -7.5606 -4.0423 -4.0423 -4.0416 -4.0416 -3.9343 -3.9343 -3.9323 -3.9323 -2.7244 -2.7244 -2.7200 -2.7200 -2.1350 -2.1350 -2.1318 -2.1318 -0.6782 -0.6782 -0.6686 -0.6686 0.1571 0.1571 0.2747 0.2747 0.4243 0.4243 0.5261 0.5261 0.7035 0.7035 0.7094 0.7094 1.1223 1.1223 1.1277 1.1277 1.6840 1.6840 1.7184 1.7184 2.2234 2.2234 2.2277 2.2277 2.4538 2.4538 2.4746 2.4746 4.7456 4.7456 4.7584 4.7584 6.2172 6.2172 6.2311 6.2311 6.8165 6.8165 6.8549 6.8549 8.2296 8.2296 k = 0.5000 0.6111 0.0267 ( 11914 PWs) bands (ev): -13.6101 -13.6101 -13.6100 -13.6100 -13.0332 -13.0332 -13.0331 -13.0331 -9.7579 -9.7579 -9.7577 -9.7577 -9.3134 -9.3134 -9.3133 -9.3133 -7.5639 -7.5639 -7.5636 -7.5636 -4.0424 -4.0424 -4.0418 -4.0418 -3.9363 -3.9363 -3.9345 -3.9345 -2.7273 -2.7273 -2.7238 -2.7238 -2.1352 -2.1352 -2.1325 -2.1325 -0.6730 -0.6730 -0.6646 -0.6646 0.1735 0.1735 0.2716 0.2716 0.4447 0.4447 0.5271 0.5271 0.7123 0.7123 0.7213 0.7213 1.1081 1.1081 1.1142 1.1142 1.6786 1.6786 1.7083 1.7083 2.2247 2.2247 2.2286 2.2286 2.4484 2.4484 2.4661 2.4661 4.7484 4.7484 4.7590 4.7590 6.2151 6.2151 6.2272 6.2272 6.8202 6.8202 6.8535 6.8535 8.2108 8.2108 k = 0.5000 0.6075 0.0034 ( 11914 PWs) bands (ev): -13.6099 -13.6099 -13.6099 -13.6099 -13.0336 -13.0336 -13.0336 -13.0336 -9.7570 -9.7570 -9.7568 -9.7568 -9.3119 -9.3119 -9.3118 -9.3118 -7.5664 -7.5664 -7.5661 -7.5661 -4.0425 -4.0425 -4.0420 -4.0420 -3.9379 -3.9379 -3.9364 -3.9364 -2.7297 -2.7297 -2.7269 -2.7269 -2.1353 -2.1353 -2.1331 -2.1331 -0.6684 -0.6684 -0.6614 -0.6614 0.1881 0.1881 0.2659 0.2659 0.4644 0.4644 0.5275 0.5275 0.7214 0.7214 0.7319 0.7319 1.0953 1.0953 1.1015 1.1015 1.6750 1.6750 1.6994 1.6994 2.2258 2.2258 2.2291 2.2291 2.4437 2.4437 2.4582 2.4582 4.7511 4.7511 4.7595 4.7595 6.2135 6.2135 6.2236 6.2236 6.8242 6.8242 6.8517 6.8517 8.1951 8.1951 k = 0.5000 0.6040-0.0199 ( 11922 PWs) bands (ev): -13.6099 -13.6099 -13.6098 -13.6098 -13.0340 -13.0340 -13.0339 -13.0339 -9.7562 -9.7562 -9.7561 -9.7561 -9.3106 -9.3106 -9.3106 -9.3106 -7.5684 -7.5684 -7.5682 -7.5682 -4.0426 -4.0426 -4.0422 -4.0422 -3.9391 -3.9391 -3.9380 -3.9380 -2.7315 -2.7315 -2.7295 -2.7295 -2.1353 -2.1353 -2.1336 -2.1336 -0.6644 -0.6644 -0.6590 -0.6590 0.2011 0.2011 0.2588 0.2588 0.4819 0.4819 0.5270 0.5270 0.7303 0.7303 0.7406 0.7406 1.0846 1.0846 1.0903 1.0903 1.6732 1.6732 1.6919 1.6919 2.2266 2.2266 2.2292 2.2292 2.4402 2.4402 2.4513 2.4513 4.7537 4.7537 4.7599 4.7599 6.2126 6.2126 6.2203 6.2203 6.8282 6.8282 6.8494 6.8494 8.1829 8.1829 k = 0.5000 0.6005-0.0432 ( 11924 PWs) bands (ev): -13.6098 -13.6098 -13.6098 -13.6098 -13.0342 -13.0342 -13.0342 -13.0342 -9.7556 -9.7556 -9.7555 -9.7555 -9.3097 -9.3097 -9.3097 -9.3097 -7.5698 -7.5698 -7.5697 -7.5697 -4.0426 -4.0426 -4.0424 -4.0424 -3.9399 -3.9399 -3.9392 -3.9392 -2.7328 -2.7328 -2.7314 -2.7314 -2.1353 -2.1353 -2.1341 -2.1341 -0.6612 -0.6612 -0.6575 -0.6575 0.2128 0.2128 0.2508 0.2508 0.4964 0.4964 0.5253 0.5253 0.7382 0.7382 0.7464 0.7464 1.0769 1.0769 1.0812 1.0812 1.6729 1.6729 1.6855 1.6855 2.2272 2.2272 2.2291 2.2291 2.4381 2.4381 2.4456 2.4456 4.7559 4.7559 4.7601 4.7601 6.2123 6.2123 6.2176 6.2176 6.8322 6.8322 6.8466 6.8466 8.1743 8.1743 k = 0.5000 0.5970-0.0665 ( 11930 PWs) bands (ev): -13.6097 -13.6097 -13.6097 -13.6097 -13.0344 -13.0344 -13.0343 -13.0343 -9.7553 -9.7553 -9.7552 -9.7552 -9.3092 -9.3092 -9.3092 -9.3092 -7.5707 -7.5707 -7.5707 -7.5707 -4.0426 -4.0426 -4.0425 -4.0425 -3.9404 -3.9404 -3.9400 -3.9400 -2.7334 -2.7334 -2.7327 -2.7327 -2.1351 -2.1351 -2.1345 -2.1345 -0.6588 -0.6588 -0.6570 -0.6570 0.2234 0.2234 0.2423 0.2423 0.5078 0.5078 0.5218 0.5218 0.7445 0.7445 0.7490 0.7490 1.0725 1.0725 1.0749 1.0749 1.6741 1.6741 1.6805 1.6805 2.2277 2.2277 2.2287 2.2287 2.4376 2.4376 2.4414 2.4414 4.7577 4.7577 4.7598 4.7598 6.2126 6.2126 6.2153 6.2153 6.8362 6.8362 6.8434 6.8434 8.1694 8.1694 k = 0.5000 0.5935-0.0898 ( 11940 PWs) bands (ev): -13.6097 -13.6097 -13.6097 -13.6097 -13.0344 -13.0344 -13.0344 -13.0344 -9.7552 -9.7552 -9.7552 -9.7552 -9.3090 -9.3090 -9.3090 -9.3090 -7.5710 -7.5710 -7.5710 -7.5710 -4.0426 -4.0426 -4.0426 -4.0426 -3.9404 -3.9404 -3.9404 -3.9404 -2.7334 -2.7334 -2.7334 -2.7334 -2.1349 -2.1349 -2.1349 -2.1349 -0.6574 -0.6574 -0.6574 -0.6574 0.2332 0.2332 0.2332 0.2332 0.5162 0.5162 0.5162 0.5162 0.7482 0.7482 0.7482 0.7482 1.0719 1.0719 1.0719 1.0719 1.6766 1.6766 1.6766 1.6766 2.2282 2.2282 2.2282 2.2282 2.4387 2.4387 2.4387 2.4387 4.7590 4.7590 4.7590 4.7590 6.2137 6.2137 6.2137 6.2137 6.8399 6.8399 6.8399 6.8399 8.1683 8.1683 k = 0.5000 0.5935-0.0898 ( 11940 PWs) bands (ev): -13.6097 -13.6097 -13.6097 -13.6097 -13.0344 -13.0344 -13.0344 -13.0344 -9.7552 -9.7552 -9.7552 -9.7552 -9.3090 -9.3090 -9.3090 -9.3090 -7.5710 -7.5710 -7.5710 -7.5710 -4.0426 -4.0426 -4.0426 -4.0426 -3.9404 -3.9404 -3.9404 -3.9404 -2.7334 -2.7334 -2.7334 -2.7334 -2.1349 -2.1349 -2.1349 -2.1349 -0.6574 -0.6574 -0.6574 -0.6574 0.2332 0.2332 0.2332 0.2332 0.5162 0.5162 0.5162 0.5162 0.7482 0.7482 0.7482 0.7482 1.0719 1.0719 1.0719 1.0719 1.6766 1.6766 1.6766 1.6766 2.2282 2.2282 2.2282 2.2282 2.4387 2.4387 2.4387 2.4387 4.7590 4.7590 4.7590 4.7590 6.2137 6.2137 6.2137 6.2137 6.8399 6.8399 6.8399 6.8399 8.1683 8.1683 k = 0.4762 0.5935-0.0898 ( 11938 PWs) bands (ev): -13.6104 -13.6104 -13.6091 -13.6091 -13.0481 -13.0481 -13.0205 -13.0205 -9.7561 -9.7561 -9.7541 -9.7541 -9.3133 -9.3133 -9.3047 -9.3047 -7.6100 -7.6100 -7.5317 -7.5317 -4.0493 -4.0493 -4.0367 -4.0367 -3.9448 -3.9448 -3.9360 -3.9360 -2.7463 -2.7463 -2.7209 -2.7209 -2.1476 -2.1476 -2.1236 -2.1236 -0.6834 -0.6834 -0.6298 -0.6298 0.2294 0.2294 0.2383 0.2383 0.5026 0.5026 0.5299 0.5299 0.7323 0.7323 0.7658 0.7658 1.0559 1.0559 1.0887 1.0887 1.6461 1.6461 1.7079 1.7079 2.2227 2.2227 2.2340 2.2340 2.4286 2.4286 2.4483 2.4483 4.7211 4.7211 4.7934 4.7934 6.1999 6.1999 6.2263 6.2263 6.8343 6.8343 6.8468 6.8468 8.1393 8.1393 k = 0.4524 0.5935-0.0898 ( 11934 PWs) bands (ev): -13.6110 -13.6110 -13.6086 -13.6086 -13.0616 -13.0616 -13.0066 -13.0066 -9.7570 -9.7570 -9.7529 -9.7529 -9.3175 -9.3175 -9.3004 -9.3004 -7.6485 -7.6485 -7.4924 -7.4924 -4.0569 -4.0569 -4.0317 -4.0317 -3.9490 -3.9490 -3.9317 -3.9317 -2.7596 -2.7596 -2.7090 -2.7090 -2.1618 -2.1618 -2.1140 -2.1140 -0.7076 -0.7076 -0.6009 -0.6009 0.2269 0.2269 0.2448 0.2448 0.4897 0.4897 0.5430 0.5430 0.7186 0.7186 0.7842 0.7842 1.0409 1.0409 1.1064 1.1064 1.6172 1.6172 1.7393 1.7393 2.2175 2.2175 2.2398 2.2398 2.4183 2.4183 2.4576 2.4576 4.6798 4.6798 4.8242 4.8242 6.1850 6.1850 6.2378 6.2378 6.8301 6.8301 6.8550 6.8550 8.1071 8.1071 k = 0.4286 0.5935-0.0898 ( 11934 PWs) bands (ev): -13.6117 -13.6117 -13.6081 -13.6081 -13.0748 -13.0748 -12.9927 -12.9927 -9.7578 -9.7578 -9.7517 -9.7517 -9.3215 -9.3215 -9.2960 -9.2960 -7.6864 -7.6864 -7.4532 -7.4532 -4.0651 -4.0651 -4.0276 -4.0276 -3.9532 -3.9532 -3.9274 -3.9274 -2.7731 -2.7731 -2.6979 -2.6979 -2.1773 -2.1773 -2.1059 -2.1059 -0.7298 -0.7298 -0.5709 -0.5709 0.2258 0.2258 0.2524 0.2524 0.4779 0.4779 0.5544 0.5544 0.7079 0.7079 0.8029 0.8029 1.0272 1.0272 1.1249 1.1249 1.5906 1.5906 1.7697 1.7697 2.2127 2.2127 2.2456 2.2456 2.4077 2.4077 2.4665 2.4665 4.6356 4.6356 4.8513 4.8513 6.1691 6.1691 6.2482 6.2482 6.8271 6.8271 6.8641 6.8641 8.0741 8.0741 k = 0.4048 0.5935-0.0898 ( 11930 PWs) bands (ev): -13.6124 -13.6124 -13.6076 -13.6076 -13.0876 -13.0876 -12.9788 -12.9788 -9.7585 -9.7585 -9.7504 -9.7504 -9.3255 -9.3255 -9.2917 -9.2917 -7.7234 -7.7234 -7.4144 -7.4144 -4.0739 -4.0739 -4.0245 -4.0245 -3.9571 -3.9571 -3.9231 -3.9231 -2.7868 -2.7868 -2.6876 -2.6876 -2.1938 -2.1938 -2.0995 -2.0995 -0.7499 -0.7499 -0.5402 -0.5402 0.2260 0.2260 0.2610 0.2610 0.4674 0.4674 0.5630 0.5630 0.7014 0.7014 0.8210 0.8210 1.0153 1.0153 1.1445 1.1445 1.5668 1.5668 1.7984 1.7984 2.2087 2.2087 2.2510 2.2510 2.3972 2.3972 2.4752 2.4752 4.5888 4.5888 4.8748 4.8748 6.1521 6.1521 6.2575 6.2575 6.8254 6.8254 6.8742 6.8742 8.0420 8.0420 k = 0.3810 0.5935-0.0898 ( 11934 PWs) bands (ev): -13.6131 -13.6131 -13.6072 -13.6072 -13.1000 -13.1000 -12.9651 -12.9651 -9.7591 -9.7591 -9.7491 -9.7491 -9.3293 -9.3293 -9.2874 -9.2874 -7.7594 -7.7594 -7.3761 -7.3761 -4.0833 -4.0833 -4.0224 -4.0224 -3.9608 -3.9608 -3.9191 -3.9191 -2.8004 -2.8004 -2.6785 -2.6785 -2.2110 -2.2110 -2.0945 -2.0945 -0.7680 -0.7680 -0.5091 -0.5091 0.2274 0.2274 0.2703 0.2703 0.4585 0.4585 0.5674 0.5674 0.6997 0.6997 0.8374 0.8374 1.0062 1.0062 1.1651 1.1651 1.5465 1.5465 1.8244 1.8244 2.2054 2.2054 2.2558 2.2558 2.3874 2.3874 2.4837 2.4837 4.5397 4.5397 4.8947 4.8947 6.1343 6.1343 6.2658 6.2658 6.8248 6.8248 6.8850 6.8850 8.0119 8.0119 k = 0.3571 0.5935-0.0898 ( 11926 PWs) bands (ev): -13.6138 -13.6138 -13.6068 -13.6068 -13.1120 -13.1120 -12.9517 -12.9517 -9.7596 -9.7596 -9.7477 -9.7477 -9.3330 -9.3330 -9.2831 -9.2831 -7.7943 -7.7943 -7.3386 -7.3386 -4.0930 -4.0930 -4.0213 -4.0213 -3.9641 -3.9641 -3.9151 -3.9151 -2.8139 -2.8139 -2.6705 -2.6705 -2.2286 -2.2286 -2.0908 -2.0908 -0.7839 -0.7839 -0.4779 -0.4779 0.2299 0.2299 0.2800 0.2800 0.4514 0.4514 0.5674 0.5674 0.7026 0.7026 0.8506 0.8506 1.0015 1.0015 1.1869 1.1869 1.5301 1.5301 1.8469 1.8469 2.2028 2.2028 2.2595 2.2595 2.3791 2.3791 2.4923 2.4923 4.4888 4.4888 4.9111 4.9111 6.1157 6.1157 6.2731 6.2731 6.8253 6.8253 6.8963 6.8963 7.9848 7.9848 k = 0.3333 0.5935-0.0898 ( 11932 PWs) bands (ev): -13.6145 -13.6145 -13.6065 -13.6065 -13.1233 -13.1233 -12.9386 -12.9386 -9.7600 -9.7600 -9.7464 -9.7464 -9.3365 -9.3365 -9.2790 -9.2790 -7.8278 -7.8278 -7.3021 -7.3021 -4.1030 -4.1030 -4.0212 -4.0212 -3.9671 -3.9671 -3.9113 -3.9113 -2.8272 -2.8272 -2.6638 -2.6638 -2.2462 -2.2462 -2.0884 -2.0884 -0.7977 -0.7977 -0.4470 -0.4470 0.2332 0.2332 0.2895 0.2895 0.4463 0.4463 0.5635 0.5635 0.7085 0.7085 0.8598 0.8598 1.0024 1.0024 1.2098 1.2098 1.5178 1.5178 1.8650 1.8650 2.2006 2.2006 2.2613 2.2613 2.3736 2.3736 2.5010 2.5010 4.4367 4.4367 4.9244 4.9244 6.0965 6.0965 6.2795 6.2795 6.8265 6.8265 6.9080 6.9080 7.9610 7.9610 k = 0.3095 0.5935-0.0898 ( 11928 PWs) bands (ev): -13.6152 -13.6152 -13.6062 -13.6062 -13.1341 -13.1341 -12.9260 -12.9260 -9.7603 -9.7603 -9.7450 -9.7450 -9.3397 -9.3397 -9.2750 -9.2750 -7.8598 -7.8598 -7.2668 -7.2668 -4.1131 -4.1131 -4.0219 -4.0219 -3.9697 -3.9697 -3.9077 -3.9077 -2.8401 -2.8401 -2.6587 -2.6587 -2.2633 -2.2633 -2.0871 -2.0871 -0.8096 -0.8096 -0.4165 -0.4165 0.2374 0.2374 0.2986 0.2986 0.4434 0.4434 0.5569 0.5569 0.7151 0.7151 0.8651 0.8651 1.0096 1.0096 1.2340 1.2340 1.5097 1.5097 1.8783 1.8783 2.1981 2.1981 2.2602 2.2602 2.3725 2.3725 2.5098 2.5098 4.3839 4.3839 4.9347 4.9347 6.0771 6.0771 6.2849 6.2849 6.8283 6.8283 6.9197 6.9197 7.9409 7.9409 k = 0.2857 0.5935-0.0898 ( 11926 PWs) bands (ev): -13.6159 -13.6159 -13.6060 -13.6060 -13.1443 -13.1443 -12.9138 -12.9138 -9.7606 -9.7606 -9.7436 -9.7436 -9.3428 -9.3428 -9.2711 -9.2711 -7.8901 -7.8901 -7.2330 -7.2330 -4.1232 -4.1232 -4.0234 -4.0234 -3.9718 -3.9718 -3.9043 -3.9043 -2.8526 -2.8526 -2.6551 -2.6551 -2.2797 -2.2797 -2.0866 -2.0866 -0.8197 -0.8197 -0.3867 -0.3867 0.2420 0.2420 0.3066 0.3066 0.4427 0.4427 0.5488 0.5488 0.7197 0.7197 0.8688 0.8688 1.0222 1.0222 1.2592 1.2592 1.5060 1.5060 1.8867 1.8867 2.1946 2.1946 2.2559 2.2559 2.3768 2.3768 2.5189 2.5189 4.3311 4.3311 4.9424 4.9424 6.0575 6.0575 6.2895 6.2895 6.8305 6.8305 6.9315 6.9315 7.9243 7.9243 k = 0.2619 0.5935-0.0898 ( 11920 PWs) bands (ev): -13.6166 -13.6166 -13.6058 -13.6058 -13.1538 -13.1538 -12.9023 -12.9023 -9.7608 -9.7608 -9.7422 -9.7422 -9.3457 -9.3457 -9.2675 -9.2675 -7.9186 -7.9186 -7.2008 -7.2008 -4.1331 -4.1331 -4.0255 -4.0255 -3.9737 -3.9737 -3.9011 -3.9011 -2.8645 -2.8645 -2.6531 -2.6531 -2.2949 -2.2949 -2.0869 -2.0869 -0.8281 -0.8281 -0.3579 -0.3579 0.2471 0.2471 0.3135 0.3135 0.4440 0.4440 0.5399 0.5399 0.7205 0.7205 0.8735 0.8735 1.0385 1.0385 1.2853 1.2853 1.5065 1.5065 1.8904 1.8904 2.1889 2.1889 2.2494 2.2494 2.3862 2.3862 2.5284 2.5284 4.2788 4.2788 4.9477 4.9477 6.0381 6.0381 6.2933 6.2933 6.8329 6.8329 6.9431 6.9431 7.9111 7.9111 k = 0.2381 0.5935-0.0898 ( 11926 PWs) bands (ev): -13.6172 -13.6172 -13.6057 -13.6057 -13.1626 -13.1626 -12.8915 -12.8915 -9.7609 -9.7609 -9.7409 -9.7409 -9.3484 -9.3484 -9.2640 -9.2640 -7.9451 -7.9451 -7.1705 -7.1705 -4.1428 -4.1428 -4.0280 -4.0280 -3.9752 -3.9752 -3.8981 -3.8981 -2.8759 -2.8759 -2.6528 -2.6528 -2.3087 -2.3087 -2.0878 -2.0878 -0.8350 -0.8350 -0.3304 -0.3304 0.2522 0.2522 0.3190 0.3190 0.4469 0.4469 0.5309 0.5309 0.7167 0.7167 0.8808 0.8808 1.0570 1.0570 1.3117 1.3117 1.5110 1.5110 1.8898 1.8898 2.1797 2.1797 2.2423 2.2423 2.3997 2.3997 2.5380 2.5380 4.2277 4.2277 4.9510 4.9510 6.0191 6.0191 6.2964 6.2964 6.8354 6.8354 6.9543 6.9543 7.9007 7.9007 k = 0.2143 0.5935-0.0898 ( 11932 PWs) bands (ev): -13.6178 -13.6178 -13.6055 -13.6055 -13.1706 -13.1706 -12.8814 -12.8814 -9.7610 -9.7610 -9.7397 -9.7397 -9.3508 -9.3508 -9.2608 -9.2608 -7.9696 -7.9696 -7.1423 -7.1423 -4.1520 -4.1520 -4.0308 -4.0308 -3.9766 -3.9766 -3.8954 -3.8954 -2.8865 -2.8865 -2.6540 -2.6540 -2.3207 -2.3207 -2.0891 -2.0891 -0.8406 -0.8406 -0.3042 -0.3042 0.2572 0.2572 0.3235 0.3235 0.4507 0.4507 0.5221 0.5221 0.7090 0.7090 0.8907 0.8907 1.0770 1.0770 1.3380 1.3380 1.5195 1.5195 1.8856 1.8856 2.1669 2.1669 2.2357 2.2357 2.4159 2.4159 2.5477 2.5477 4.1785 4.1785 4.9527 4.9527 6.0009 6.0009 6.2989 6.2989 6.8376 6.8376 6.9652 6.9652 7.8916 7.8916 k = 0.1905 0.5935-0.0898 ( 11932 PWs) bands (ev): -13.6184 -13.6184 -13.6055 -13.6055 -13.1778 -13.1778 -12.8721 -12.8721 -9.7611 -9.7611 -9.7386 -9.7386 -9.3530 -9.3530 -9.2578 -9.2578 -7.9918 -7.9918 -7.1164 -7.1164 -4.1607 -4.1607 -4.0337 -4.0337 -3.9777 -3.9777 -3.8929 -3.8929 -2.8962 -2.8962 -2.6565 -2.6565 -2.3310 -2.3310 -2.0907 -2.0907 -0.8451 -0.8451 -0.2797 -0.2797 0.2617 0.2617 0.3271 0.3271 0.4546 0.4546 0.5139 0.5139 0.6990 0.6990 0.9023 0.9023 1.0977 1.0977 1.3630 1.3630 1.5318 1.5318 1.8783 1.8783 2.1507 2.1507 2.2301 2.2301 2.4336 2.4336 2.5573 2.5573 4.1319 4.1319 4.9530 4.9530 5.9837 5.9837 6.3007 6.3007 6.8397 6.8397 6.9755 6.9755 7.8742 7.8742 k = 0.1667 0.5935-0.0898 ( 11926 PWs) bands (ev): -13.6189 -13.6189 -13.6054 -13.6054 -13.1843 -13.1843 -12.8638 -12.8638 -9.7611 -9.7611 -9.7375 -9.7375 -9.3549 -9.3549 -9.2551 -9.2551 -8.0117 -8.0117 -7.0930 -7.0930 -4.1686 -4.1686 -4.0365 -4.0365 -3.9787 -3.9787 -3.8907 -3.8907 -2.9051 -2.9051 -2.6600 -2.6600 -2.3395 -2.3395 -2.0924 -2.0924 -0.8486 -0.8486 -0.2570 -0.2570 0.2656 0.2656 0.3302 0.3302 0.4578 0.4578 0.5068 0.5068 0.6881 0.6881 0.9144 0.9144 1.1187 1.1187 1.3858 1.3858 1.5480 1.5480 1.8684 1.8684 2.1322 2.1322 2.2252 2.2252 2.4519 2.4519 2.5663 2.5663 4.0886 4.0886 4.9523 4.9523 5.9678 5.9678 6.3021 6.3021 6.8413 6.8413 6.9851 6.9851 7.8446 7.8446 k = 0.1429 0.5935-0.0898 ( 11924 PWs) bands (ev): -13.6193 -13.6193 -13.6054 -13.6054 -13.1899 -13.1899 -12.8564 -12.8564 -9.7611 -9.7611 -9.7365 -9.7365 -9.3566 -9.3566 -9.2527 -9.2527 -8.0292 -8.0292 -7.0724 -7.0724 -4.1758 -4.1758 -4.0393 -4.0393 -3.9795 -3.9795 -3.8888 -3.8888 -2.9130 -2.9130 -2.6642 -2.6642 -2.3463 -2.3463 -2.0941 -2.0941 -0.8513 -0.8513 -0.2364 -0.2364 0.2687 0.2687 0.3330 0.3330 0.4595 0.4595 0.5012 0.5012 0.6775 0.6775 0.9261 0.9261 1.1396 1.1396 1.4055 1.4055 1.5679 1.5679 1.8563 1.8563 2.1127 2.1127 2.2209 2.2209 2.4700 2.4700 2.5745 2.5745 4.0493 4.0493 4.9509 4.9509 5.9534 5.9534 6.3030 6.3030 6.8427 6.8427 6.9940 6.9940 7.8159 7.8159 k = 0.1190 0.5935-0.0898 ( 11924 PWs) bands (ev): -13.6197 -13.6197 -13.6053 -13.6053 -13.1947 -13.1947 -12.8500 -12.8500 -9.7610 -9.7610 -9.7357 -9.7357 -9.3580 -9.3580 -9.2507 -9.2507 -8.0441 -8.0441 -7.0545 -7.0545 -4.1820 -4.1820 -4.0417 -4.0417 -3.9802 -3.9802 -3.8871 -3.8871 -2.9199 -2.9199 -2.6686 -2.6686 -2.3516 -2.3516 -2.0958 -2.0958 -0.8534 -0.8534 -0.2182 -0.2182 0.2708 0.2708 0.3358 0.3358 0.4593 0.4593 0.4972 0.4972 0.6681 0.6681 0.9366 0.9366 1.1596 1.1596 1.4215 1.4215 1.5910 1.5910 1.8425 1.8425 2.0931 2.0931 2.2170 2.2170 2.4872 2.4872 2.5814 2.5814 4.0146 4.0146 4.9492 4.9492 5.9407 5.9407 6.3037 6.3037 6.8436 6.8436 7.0019 7.0019 7.7908 7.7908 k = 0.0952 0.5935-0.0898 ( 11924 PWs) bands (ev): -13.6200 -13.6200 -13.6053 -13.6053 -13.1987 -13.1987 -12.8448 -12.8448 -9.7610 -9.7610 -9.7350 -9.7350 -9.3592 -9.3592 -9.2490 -9.2490 -8.0565 -8.0565 -7.0398 -7.0398 -4.1872 -4.1872 -4.0439 -4.0439 -3.9808 -3.9808 -3.8857 -3.8857 -2.9256 -2.9256 -2.6729 -2.6729 -2.3556 -2.3556 -2.0972 -2.0972 -0.8549 -0.8549 -0.2026 -0.2026 0.2721 0.2721 0.3383 0.3383 0.4577 0.4577 0.4946 0.4946 0.6604 0.6604 0.9455 0.9455 1.1781 1.1781 1.4336 1.4336 1.6164 1.6164 1.8272 1.8272 2.0746 2.0746 2.2136 2.2136 2.5029 2.5029 2.5868 2.5868 3.9853 3.9853 4.9473 4.9473 5.9301 5.9301 6.3040 6.3040 6.8443 6.8443 7.0087 7.0087 7.7699 7.7699 k = 0.0714 0.5935-0.0898 ( 11912 PWs) bands (ev): -13.6203 -13.6203 -13.6053 -13.6053 -13.2018 -13.2018 -12.8406 -12.8406 -9.7610 -9.7610 -9.7345 -9.7345 -9.3601 -9.3601 -9.2476 -9.2476 -8.0661 -8.0661 -7.0281 -7.0281 -4.1914 -4.1914 -4.0456 -4.0456 -3.9813 -3.9813 -3.8847 -3.8847 -2.9301 -2.9301 -2.6766 -2.6766 -2.3585 -2.3585 -2.0984 -2.0984 -0.8559 -0.8559 -0.1900 -0.1900 0.2728 0.2728 0.3406 0.3406 0.4554 0.4554 0.4929 0.4929 0.6545 0.6545 0.9526 0.9526 1.1940 1.1940 1.4421 1.4421 1.6426 1.6426 1.8106 1.8106 2.0585 2.0585 2.2108 2.2108 2.5165 2.5165 2.5905 2.5905 3.9619 3.9619 4.9456 4.9456 5.9217 5.9217 6.3042 6.3042 6.8447 6.8447 7.0142 7.0142 7.7535 7.7535 k = 0.0476 0.5935-0.0898 ( 11910 PWs) bands (ev): -13.6205 -13.6205 -13.6053 -13.6053 -13.2040 -13.2040 -12.8377 -12.8377 -9.7610 -9.7610 -9.7341 -9.7341 -9.3608 -9.3608 -9.2467 -9.2467 -8.0731 -8.0731 -7.0197 -7.0197 -4.1944 -4.1944 -4.0468 -4.0468 -3.9816 -3.9816 -3.8839 -3.8839 -2.9334 -2.9334 -2.6795 -2.6795 -2.3604 -2.3604 -2.0993 -2.0993 -0.8566 -0.8566 -0.1808 -0.1808 0.2730 0.2730 0.3424 0.3424 0.4533 0.4533 0.4917 0.4917 0.6505 0.6505 0.9578 0.9578 1.2064 1.2064 1.4476 1.4476 1.6678 1.6678 1.7935 1.7935 2.0458 2.0458 2.2087 2.2087 2.5272 2.5272 2.5926 2.5926 3.9447 3.9447 4.9442 4.9442 5.9155 5.9155 6.3043 6.3043 6.8449 6.8449 7.0183 7.0183 7.7418 7.7418 k = 0.0238 0.5935-0.0898 ( 11910 PWs) bands (ev): -13.6206 -13.6206 -13.6053 -13.6053 -13.2053 -13.2053 -12.8359 -12.8359 -9.7609 -9.7609 -9.7338 -9.7338 -9.3612 -9.3612 -9.2461 -9.2461 -8.0773 -8.0773 -7.0146 -7.0146 -4.1962 -4.1962 -4.0476 -4.0476 -3.9818 -3.9818 -3.8834 -3.8834 -2.9354 -2.9354 -2.6813 -2.6813 -2.3615 -2.3615 -2.0999 -2.0999 -0.8570 -0.8570 -0.1751 -0.1751 0.2730 0.2730 0.3435 0.3435 0.4518 0.4518 0.4910 0.4910 0.6481 0.6481 0.9609 0.9609 1.2142 1.2142 1.4506 1.4506 1.6886 1.6886 1.7781 1.7781 2.0377 2.0377 2.2073 2.2073 2.5342 2.5342 2.5935 2.5935 3.9343 3.9343 4.9433 4.9433 5.9118 5.9118 6.3043 6.3043 6.8450 6.8450 7.0208 7.0208 7.7347 7.7347 k = 0.0000 0.5935-0.0898 ( 11916 PWs) bands (ev): -13.6206 -13.6206 -13.6053 -13.6053 -13.2057 -13.2057 -12.8353 -12.8353 -9.7609 -9.7609 -9.7337 -9.7337 -9.3613 -9.3613 -9.2459 -9.2459 -8.0786 -8.0786 -7.0129 -7.0129 -4.1968 -4.1968 -4.0479 -4.0479 -3.9819 -3.9819 -3.8833 -3.8833 -2.9360 -2.9360 -2.6819 -2.6819 -2.3618 -2.3618 -2.1001 -2.1001 -0.8572 -0.8572 -0.1732 -0.1732 0.2729 0.2729 0.3439 0.3439 0.4513 0.4513 0.4907 0.4907 0.6474 0.6474 0.9619 0.9619 1.2169 1.2169 1.4516 1.4516 1.6977 1.6977 1.7709 1.7709 2.0349 2.0349 2.2069 2.2069 2.5366 2.5366 2.5937 2.5937 3.9308 3.9308 4.9430 4.9430 5.9105 5.9105 6.3043 6.3043 6.8451 6.8451 7.0216 7.0216 7.7323 7.7323 k = 0.0000 0.5935-0.0898 ( 11916 PWs) bands (ev): -13.6206 -13.6206 -13.6053 -13.6053 -13.2057 -13.2057 -12.8353 -12.8353 -9.7609 -9.7609 -9.7337 -9.7337 -9.3613 -9.3613 -9.2459 -9.2459 -8.0786 -8.0786 -7.0129 -7.0129 -4.1968 -4.1968 -4.0479 -4.0479 -3.9819 -3.9819 -3.8833 -3.8833 -2.9360 -2.9360 -2.6819 -2.6819 -2.3618 -2.3618 -2.1001 -2.1001 -0.8572 -0.8572 -0.1732 -0.1732 0.2729 0.2729 0.3439 0.3439 0.4513 0.4513 0.4907 0.4907 0.6474 0.6474 0.9619 0.9619 1.2169 1.2169 1.4516 1.4516 1.6977 1.6977 1.7709 1.7709 2.0349 2.0349 2.2069 2.2069 2.5366 2.5366 2.5937 2.5937 3.9308 3.9308 4.9430 4.9430 5.9105 5.9105 6.3043 6.3043 6.8451 6.8451 7.0216 7.0216 7.7323 7.7323 k = 0.0000 0.5970-0.0665 ( 11906 PWs) bands (ev): -13.6206 -13.6206 -13.6053 -13.6053 -13.2057 -13.2057 -12.8353 -12.8353 -9.7610 -9.7610 -9.7339 -9.7339 -9.3612 -9.3612 -9.2459 -9.2459 -8.0792 -8.0792 -7.0122 -7.0122 -4.1967 -4.1967 -4.0480 -4.0480 -3.9815 -3.9815 -3.8832 -3.8832 -2.9351 -2.9351 -2.6821 -2.6821 -2.3618 -2.3618 -2.1001 -2.1001 -0.8576 -0.8576 -0.1722 -0.1722 0.2729 0.2729 0.3439 0.3439 0.4509 0.4509 0.4898 0.4898 0.6445 0.6445 0.9621 0.9621 1.2158 1.2158 1.4516 1.4516 1.6993 1.6993 1.7711 1.7711 2.0306 2.0306 2.2084 2.2084 2.5362 2.5362 2.5983 2.5983 3.9310 3.9310 4.9446 4.9446 5.9118 5.9118 6.3040 6.3040 6.8435 6.8435 7.0215 7.0215 7.7294 7.7294 k = 0.0000 0.6005-0.0432 ( 11904 PWs) bands (ev): -13.6206 -13.6206 -13.6053 -13.6053 -13.2055 -13.2055 -12.8353 -12.8353 -9.7614 -9.7614 -9.7343 -9.7343 -9.3610 -9.3610 -9.2458 -9.2458 -8.0808 -8.0808 -7.0101 -7.0101 -4.1962 -4.1962 -4.0486 -4.0486 -3.9805 -3.9805 -3.8829 -3.8829 -2.9325 -2.9325 -2.6826 -2.6826 -2.3618 -2.3618 -2.1002 -2.1002 -0.8590 -0.8590 -0.1692 -0.1692 0.2725 0.2725 0.3436 0.3436 0.4499 0.4499 0.4869 0.4869 0.6364 0.6364 0.9622 0.9622 1.2125 1.2125 1.4516 1.4516 1.7037 1.7037 1.7717 1.7717 2.0181 2.0181 2.2129 2.2129 2.5355 2.5355 2.6113 2.6113 3.9317 3.9317 4.9494 4.9494 5.9155 5.9155 6.3031 6.3031 6.8390 6.8390 7.0213 7.0213 7.7218 7.7218 k = 0.0000 0.6040-0.0199 ( 11923 PWs) bands (ev): -13.6206 -13.6206 -13.6053 -13.6053 -13.2053 -13.2053 -12.8353 -12.8353 -9.7619 -9.7619 -9.7350 -9.7350 -9.3605 -9.3605 -9.2458 -9.2458 -8.0833 -8.0833 -7.0067 -7.0067 -4.1955 -4.1955 -4.0495 -4.0495 -3.9787 -3.9787 -3.8825 -3.8825 -2.9281 -2.9281 -2.6835 -2.6835 -2.3618 -2.3618 -2.1003 -2.1003 -0.8612 -0.8612 -0.1643 -0.1643 0.2717 0.2717 0.3427 0.3427 0.4483 0.4483 0.4814 0.4814 0.6246 0.6246 0.9620 0.9620 1.2072 1.2072 1.4513 1.4513 1.7108 1.7108 1.7729 1.7729 1.9986 1.9986 2.2203 2.2203 2.5355 2.5355 2.6306 2.6306 3.9329 3.9329 4.9571 4.9571 5.9216 5.9216 6.3018 6.3018 6.8316 6.8316 7.0212 7.0212 7.7114 7.7114 k = 0.0000 0.6075 0.0034 ( 11923 PWs) bands (ev): -13.6207 -13.6207 -13.6053 -13.6053 -13.2049 -13.2049 -12.8353 -12.8353 -9.7626 -9.7626 -9.7360 -9.7360 -9.3600 -9.3600 -9.2457 -9.2457 -8.0869 -8.0869 -7.0020 -7.0020 -4.1945 -4.1945 -4.0507 -4.0507 -3.9762 -3.9762 -3.8819 -3.8819 -2.9221 -2.9221 -2.6847 -2.6847 -2.3618 -2.3618 -2.1004 -2.1004 -0.8641 -0.8641 -0.1576 -0.1576 0.2697 0.2697 0.3410 0.3410 0.4467 0.4467 0.4732 0.4732 0.6117 0.6117 0.9610 0.9610 1.2003 1.2003 1.4502 1.4502 1.7200 1.7200 1.7747 1.7747 1.9736 1.9736 2.2302 2.2302 2.5363 2.5363 2.6546 2.6546 3.9350 3.9350 4.9673 4.9673 5.9299 5.9299 6.3003 6.3003 6.8217 6.8217 7.0215 7.0215 7.6999 7.6999 k = 0.0000 0.6111 0.0267 ( 11927 PWs) bands (ev): -13.6207 -13.6207 -13.6053 -13.6053 -13.2044 -13.2044 -12.8354 -12.8354 -9.7635 -9.7635 -9.7372 -9.7372 -9.3593 -9.3593 -9.2457 -9.2457 -8.0912 -8.0912 -6.9961 -6.9961 -4.1933 -4.1933 -4.0523 -4.0523 -3.9731 -3.9731 -3.8812 -3.8812 -2.9146 -2.9146 -2.6860 -2.6860 -2.3618 -2.3618 -2.1006 -2.1006 -0.8678 -0.8678 -0.1492 -0.1492 0.2657 0.2657 0.3376 0.3376 0.4452 0.4452 0.4624 0.4624 0.5997 0.5997 0.9586 0.9586 1.1921 1.1921 1.4479 1.4479 1.7302 1.7302 1.7772 1.7772 1.9451 1.9451 2.2425 2.2425 2.5381 2.5381 2.6818 2.6818 3.9382 3.9382 4.9795 4.9795 5.9402 5.9402 6.2989 6.2989 6.8098 6.8098 7.0224 7.0224 7.6880 7.6880 k = 0.0000 0.6146 0.0500 ( 11931 PWs) bands (ev): -13.6207 -13.6207 -13.6054 -13.6054 -13.2039 -13.2039 -12.8354 -12.8354 -9.7645 -9.7645 -9.7387 -9.7387 -9.3585 -9.3585 -9.2456 -9.2456 -8.0963 -8.0963 -6.9893 -6.9893 -4.1918 -4.1918 -4.0541 -4.0541 -3.9695 -3.9695 -3.8804 -3.8804 -2.9056 -2.9056 -2.6875 -2.6875 -2.3617 -2.3617 -2.1008 -2.1008 -0.8721 -0.8721 -0.1393 -0.1393 0.2577 0.2577 0.3322 0.3322 0.4433 0.4433 0.4521 0.4521 0.5902 0.5902 0.9546 0.9546 1.1830 1.1830 1.4441 1.4441 1.7397 1.7397 1.7808 1.7808 1.9156 1.9156 2.2565 2.2565 2.5407 2.5407 2.7110 2.7110 3.9427 3.9427 4.9931 4.9931 5.9521 5.9521 6.2979 6.2979 6.7965 6.7965 7.0241 7.0241 7.6761 7.6761 k = 0.0000 0.6181 0.0733 ( 11919 PWs) bands (ev): -13.6206 -13.6206 -13.6055 -13.6055 -13.2032 -13.2032 -12.8355 -12.8355 -9.7657 -9.7657 -9.7403 -9.7403 -9.3575 -9.3575 -9.2455 -9.2455 -8.1021 -8.1021 -6.9815 -6.9815 -4.1900 -4.1900 -4.0562 -4.0562 -3.9653 -3.9653 -3.8794 -3.8794 -2.8954 -2.8954 -2.6890 -2.6890 -2.3617 -2.3617 -2.1011 -2.1011 -0.8768 -0.8768 -0.1282 -0.1282 0.2430 0.2430 0.3252 0.3252 0.4377 0.4377 0.4482 0.4482 0.5836 0.5836 0.9486 0.9486 1.1734 1.1734 1.4384 1.4384 1.7447 1.7447 1.7864 1.7864 1.8883 1.8883 2.2720 2.2720 2.5441 2.5441 2.7413 2.7413 3.9488 3.9488 5.0075 5.0075 5.9654 5.9654 6.2977 6.2977 6.7826 6.7826 7.0267 7.0267 7.6646 7.6646 k = 0.0000 0.6216 0.0965 ( 11918 PWs) bands (ev): -13.6206 -13.6206 -13.6057 -13.6057 -13.2025 -13.2025 -12.8355 -12.8355 -9.7669 -9.7669 -9.7422 -9.7422 -9.3565 -9.3565 -9.2454 -9.2454 -8.1083 -8.1083 -6.9731 -6.9731 -4.1881 -4.1881 -4.0586 -4.0586 -3.9606 -3.9606 -3.8785 -3.8785 -2.8841 -2.8841 -2.6903 -2.6903 -2.3617 -2.3617 -2.1015 -2.1015 -0.8819 -0.8819 -0.1160 -0.1160 0.2195 0.2195 0.3185 0.3185 0.4323 0.4323 0.4491 0.4491 0.5796 0.5796 0.9407 0.9407 1.1637 1.1637 1.4307 1.4307 1.7399 1.7399 1.7954 1.7954 1.8678 1.8678 2.2885 2.2885 2.5480 2.5480 2.7720 2.7720 3.9565 3.9565 5.0222 5.0222 5.9797 5.9797 6.2984 6.2984 6.7686 6.7686 7.0301 7.0301 7.6534 7.6534 k = 0.0000 0.6251 0.1198 ( 11904 PWs) bands (ev): -13.6205 -13.6205 -13.6059 -13.6059 -13.2017 -13.2017 -12.8356 -12.8356 -9.7682 -9.7682 -9.7441 -9.7441 -9.3555 -9.3555 -9.2453 -9.2453 -8.1149 -8.1149 -6.9642 -6.9642 -4.1859 -4.1859 -4.0612 -4.0612 -3.9556 -3.9556 -3.8775 -3.8775 -2.8720 -2.8720 -2.6914 -2.6914 -2.3617 -2.3617 -2.1020 -2.1020 -0.8871 -0.8871 -0.1034 -0.1034 0.1871 0.1871 0.3133 0.3133 0.4304 0.4304 0.4517 0.4517 0.5777 0.5777 0.9309 0.9309 1.1539 1.1539 1.4212 1.4212 1.7224 1.7224 1.8071 1.8071 1.8576 1.8576 2.3055 2.3055 2.5523 2.5523 2.8024 2.8024 3.9660 3.9660 5.0366 5.0366 5.9947 5.9947 6.3002 6.3002 6.7553 6.7553 7.0342 7.0342 7.6428 7.6428 k = 0.0000 0.6287 0.1431 ( 11909 PWs) bands (ev): -13.6203 -13.6203 -13.6063 -13.6063 -13.2008 -13.2008 -12.8356 -12.8356 -9.7694 -9.7694 -9.7462 -9.7462 -9.3544 -9.3544 -9.2451 -9.2451 -8.1218 -8.1218 -6.9550 -6.9550 -4.1836 -4.1836 -4.0640 -4.0640 -3.9503 -3.9503 -3.8766 -3.8766 -2.8594 -2.8594 -2.6919 -2.6919 -2.3616 -2.3616 -2.1026 -2.1026 -0.8923 -0.8923 -0.0908 -0.0908 0.1483 0.1483 0.3098 0.3098 0.4311 0.4311 0.4556 0.4556 0.5776 0.5776 0.9193 0.9193 1.1444 1.1444 1.4097 1.4097 1.6950 1.6950 1.8198 1.8198 1.8570 1.8570 2.3228 2.3228 2.5569 2.5569 2.8322 2.8322 3.9773 3.9773 5.0505 5.0505 6.0099 6.0099 6.3030 6.3030 6.7434 6.7434 7.0388 7.0388 7.6328 7.6328 k = 0.0000 0.6322 0.1664 ( 11915 PWs) bands (ev): -13.6201 -13.6201 -13.6067 -13.6067 -13.1998 -13.1998 -12.8357 -12.8357 -9.7707 -9.7707 -9.7484 -9.7484 -9.3533 -9.3533 -9.2450 -9.2450 -8.1287 -8.1287 -6.9457 -6.9457 -4.1811 -4.1811 -4.0670 -4.0670 -3.9448 -3.9448 -3.8758 -3.8758 -2.8467 -2.8467 -2.6916 -2.6916 -2.3616 -2.3616 -2.1033 -2.1033 -0.8974 -0.8974 -0.0794 -0.0794 0.1065 0.1065 0.3076 0.3076 0.4333 0.4333 0.4608 0.4608 0.5790 0.5790 0.9064 0.9064 1.1352 1.1352 1.3966 1.3966 1.6623 1.6623 1.8324 1.8324 1.8626 1.8626 2.3398 2.3398 2.5617 2.5617 2.8609 2.8609 3.9901 3.9901 5.0634 5.0634 6.0249 6.0249 6.3066 6.3066 6.7332 6.7332 7.0439 7.0439 7.6238 7.6238 k = 0.0000 0.6357 0.1897 ( 11911 PWs) bands (ev): -13.6198 -13.6198 -13.6072 -13.6072 -13.1988 -13.1988 -12.8357 -12.8357 -9.7718 -9.7718 -9.7507 -9.7507 -9.3522 -9.3522 -9.2449 -9.2449 -8.1356 -8.1356 -6.9364 -6.9364 -4.1786 -4.1786 -4.0700 -4.0700 -3.9392 -3.9392 -3.8751 -3.8751 -2.8344 -2.8344 -2.6903 -2.6903 -2.3617 -2.3617 -2.1042 -2.1042 -0.9020 -0.9020 -0.0714 -0.0714 0.0657 0.0657 0.3065 0.3065 0.4357 0.4357 0.4674 0.4674 0.5818 0.5818 0.8923 0.8923 1.1265 1.1265 1.3818 1.3818 1.6279 1.6279 1.8443 1.8443 1.8717 1.8717 2.3564 2.3564 2.5667 2.5667 2.8882 2.8882 4.0043 4.0043 5.0753 5.0753 6.0396 6.0396 6.3108 6.3108 6.7253 6.7253 7.0493 7.0493 7.6158 7.6158 k = 0.0000 0.6392 0.2130 ( 11914 PWs) bands (ev): -13.6195 -13.6195 -13.6079 -13.6079 -13.1978 -13.1978 -12.8357 -12.8357 -9.7729 -9.7729 -9.7529 -9.7529 -9.3512 -9.3512 -9.2448 -9.2448 -8.1423 -8.1423 -6.9274 -6.9274 -4.1760 -4.1760 -4.0730 -4.0730 -3.9335 -3.9335 -3.8745 -3.8745 -2.8228 -2.8228 -2.6876 -2.6876 -2.3617 -2.3617 -2.1051 -2.1051 -0.9062 -0.9062 -0.0727 -0.0727 0.0328 0.0328 0.3064 0.3064 0.4374 0.4374 0.4754 0.4754 0.5859 0.5859 0.8775 0.8775 1.1185 1.1185 1.3656 1.3656 1.5938 1.5938 1.8557 1.8557 1.8824 1.8824 2.3723 2.3723 2.5717 2.5717 2.9138 2.9138 4.0196 4.0196 5.0861 5.0861 6.0535 6.0535 6.3151 6.3151 6.7198 6.7198 7.0549 7.0549 7.6089 7.6089 k = 0.0000 0.6428 0.2363 ( 11915 PWs) bands (ev): -13.6191 -13.6191 -13.6086 -13.6086 -13.1968 -13.1968 -12.8357 -12.8357 -9.7738 -9.7738 -9.7551 -9.7551 -9.3502 -9.3502 -9.2447 -9.2447 -8.1486 -8.1486 -6.9188 -6.9188 -4.1734 -4.1734 -4.0761 -4.0761 -3.9279 -3.9279 -3.8741 -3.8741 -2.8126 -2.8126 -2.6832 -2.6832 -2.3618 -2.3618 -2.1062 -2.1062 -0.9097 -0.9097 -0.0914 -0.0914 0.0168 0.0168 0.3074 0.3074 0.4379 0.4379 0.4845 0.4845 0.5910 0.5910 0.8622 0.8622 1.1113 1.1113 1.3480 1.3480 1.5617 1.5617 1.8666 1.8666 1.8935 1.8935 2.3871 2.3871 2.5765 2.5765 2.9375 2.9375 4.0358 4.0358 5.0957 5.0957 6.0663 6.0663 6.3192 6.3192 6.7168 6.7168 7.0606 7.0606 7.6035 7.6035 k = 0.0000 0.6463 0.2596 ( 11906 PWs) bands (ev): -13.6187 -13.6187 -13.6095 -13.6095 -13.1957 -13.1957 -12.8357 -12.8357 -9.7746 -9.7746 -9.7572 -9.7572 -9.3493 -9.3493 -9.2446 -9.2446 -8.1546 -8.1546 -6.9109 -6.9109 -4.1708 -4.1708 -4.0790 -4.0790 -3.9224 -3.9224 -3.8739 -3.8739 -2.8039 -2.8039 -2.6770 -2.6770 -2.3620 -2.3620 -2.1075 -2.1075 -0.9125 -0.9125 -0.1254 -0.1254 0.0163 0.0163 0.3094 0.3094 0.4371 0.4371 0.4940 0.4940 0.5972 0.5972 0.8469 0.8469 1.1051 1.1051 1.3291 1.3291 1.5328 1.5328 1.8769 1.8769 1.9045 1.9045 2.4008 2.4008 2.5812 2.5812 2.9591 2.9591 4.0524 4.0524 5.1044 5.1044 6.0780 6.0780 6.3227 6.3227 6.7162 6.7162 7.0661 7.0661 7.5994 7.5994 k = 0.0000 0.6498 0.2828 ( 11920 PWs) bands (ev): -13.6182 -13.6182 -13.6105 -13.6105 -13.1947 -13.1947 -12.8356 -12.8356 -9.7751 -9.7751 -9.7592 -9.7592 -9.3486 -9.3486 -9.2445 -9.2445 -8.1601 -8.1601 -6.9037 -6.9037 -4.1684 -4.1684 -4.0817 -4.0817 -3.9172 -3.9172 -3.8739 -3.8739 -2.7970 -2.7970 -2.6692 -2.6692 -2.3622 -2.3622 -2.1088 -2.1088 -0.9144 -0.9144 -0.1652 -0.1652 0.0221 0.0221 0.3125 0.3125 0.4350 0.4350 0.5033 0.5033 0.6042 0.6042 0.8317 0.8317 1.1003 1.1003 1.3088 1.3088 1.5083 1.5083 1.8865 1.8865 1.9149 1.9149 2.4130 2.4130 2.5855 2.5855 2.9783 2.9783 4.0691 4.0691 5.1121 5.1121 6.0881 6.0881 6.3255 6.3255 6.7177 6.7177 7.0715 7.0715 7.5968 7.5968 k = 0.0000 0.6533 0.3061 ( 11922 PWs) bands (ev): -13.6176 -13.6176 -13.6116 -13.6116 -13.1937 -13.1937 -12.8356 -12.8356 -9.7754 -9.7754 -9.7610 -9.7610 -9.3480 -9.3480 -9.2444 -9.2444 -8.1650 -8.1650 -6.8973 -6.8973 -4.1662 -4.1662 -4.0842 -4.0842 -3.9123 -3.9123 -3.8742 -3.8742 -2.7917 -2.7917 -2.6601 -2.6601 -2.3625 -2.3625 -2.1103 -2.1103 -0.9154 -0.9154 -0.2054 -0.2054 0.0294 0.0294 0.3167 0.3167 0.4316 0.4316 0.5115 0.5115 0.6121 0.6121 0.8169 0.8169 1.0972 1.0972 1.2875 1.2875 1.4888 1.4888 1.8955 1.8955 1.9245 1.9245 2.4238 2.4238 2.5895 2.5895 2.9950 2.9950 4.0856 4.0856 5.1190 5.1190 6.0966 6.0966 6.3274 6.3274 6.7207 6.7207 7.0765 7.0765 7.5955 7.5955 k = 0.0000 0.6568 0.3294 ( 11924 PWs) bands (ev): -13.6171 -13.6171 -13.6127 -13.6127 -13.1927 -13.1927 -12.8355 -12.8355 -9.7754 -9.7754 -9.7627 -9.7627 -9.3475 -9.3475 -9.2443 -9.2443 -8.1693 -8.1693 -6.8920 -6.8920 -4.1643 -4.1643 -4.0863 -4.0863 -3.9080 -3.9080 -3.8745 -3.8745 -2.7878 -2.7878 -2.6501 -2.6501 -2.3628 -2.3628 -2.1120 -2.1120 -0.9156 -0.9156 -0.2436 -0.2436 0.0362 0.0362 0.3219 0.3219 0.4271 0.4271 0.5179 0.5179 0.6210 0.6210 0.8027 0.8027 1.0959 1.0959 1.2659 1.2659 1.4749 1.4749 1.9035 1.9035 1.9332 1.9332 2.4329 2.4329 2.5929 2.5929 3.0090 3.0090 4.1015 4.1015 5.1252 5.1252 6.1032 6.1032 6.3286 6.3286 6.7246 6.7246 7.0811 7.0811 7.5954 7.5954 k = 0.0000 0.6604 0.3527 ( 11917 PWs) bands (ev): -13.6165 -13.6165 -13.6140 -13.6140 -13.1917 -13.1917 -12.8354 -12.8354 -9.7752 -9.7752 -9.7641 -9.7641 -9.3473 -9.3473 -9.2443 -9.2443 -8.1728 -8.1728 -6.8879 -6.8879 -4.1627 -4.1627 -4.0880 -4.0880 -3.9043 -3.9043 -3.8750 -3.8750 -2.7849 -2.7849 -2.6400 -2.6400 -2.3631 -2.3631 -2.1137 -2.1137 -0.9151 -0.9151 -0.2784 -0.2784 0.0416 0.0416 0.3280 0.3280 0.4215 0.4215 0.5220 0.5220 0.6306 0.6306 0.7894 0.7894 1.0962 1.0962 1.2452 1.2452 1.4663 1.4663 1.9106 1.9106 1.9409 1.9409 2.4402 2.4402 2.5957 2.5957 3.0203 3.0203 4.1165 4.1165 5.1307 5.1307 6.1080 6.1080 6.3292 6.3292 6.7290 6.7290 7.0853 7.0853 7.5962 7.5962 k = 0.5000 0.5265 0.5322 ( 11870 PWs) bands (ev): -13.6138 -13.6138 -13.6138 -13.6138 -13.0229 -13.0229 -13.0226 -13.0226 -9.7764 -9.7764 -9.7758 -9.7758 -9.3418 -9.3418 -9.3416 -9.3416 -7.5170 -7.5170 -7.5157 -7.5157 -4.0403 -4.0403 -4.0403 -4.0403 -3.9003 -3.9003 -3.8985 -3.8985 -2.6634 -2.6634 -2.6392 -2.6392 -2.1258 -2.1258 -2.1224 -2.1224 -0.7354 -0.7354 -0.7256 -0.7256 -0.1606 -0.1606 -0.1221 -0.1221 0.4628 0.4628 0.4823 0.4823 0.6971 0.6971 0.7133 0.7133 1.2153 1.2153 1.2160 1.2160 1.8804 1.8804 1.9256 1.9256 2.2015 2.2015 2.2161 2.2161 2.4601 2.4601 2.5019 2.5019 4.7654 4.7654 4.8089 4.8089 6.2578 6.2578 6.2650 6.2650 6.8133 6.8133 6.8406 6.8406 8.5402 8.5403 k = 0.5000 0.5036 0.5322 ( 11874 PWs) bands (ev): -13.6136 -13.6136 -13.6135 -13.6135 -13.0247 -13.0247 -13.0243 -13.0243 -9.7686 -9.7686 -9.7677 -9.7677 -9.3417 -9.3417 -9.3414 -9.3414 -7.5254 -7.5254 -7.5236 -7.5236 -4.0402 -4.0402 -4.0401 -4.0401 -3.9003 -3.9003 -3.8982 -3.8982 -2.6732 -2.6732 -2.6406 -2.6406 -2.1334 -2.1334 -2.1264 -2.1264 -0.7478 -0.7478 -0.7381 -0.7381 -0.1424 -0.1424 -0.1053 -0.1053 0.4698 0.4698 0.5098 0.5098 0.7031 0.7031 0.7245 0.7245 1.2238 1.2238 1.2257 1.2257 1.8713 1.8713 1.9311 1.9311 2.1934 2.1934 2.2049 2.2049 2.4486 2.4486 2.4945 2.4945 4.7454 4.7454 4.8014 4.8014 6.2557 6.2557 6.2695 6.2695 6.8118 6.8118 6.8391 6.8391 8.5443 8.5443 k = 0.5000 0.4808 0.5322 ( 11880 PWs) bands (ev): -13.6133 -13.6133 -13.6132 -13.6132 -13.0268 -13.0268 -13.0263 -13.0263 -9.7587 -9.7587 -9.7577 -9.7577 -9.3414 -9.3414 -9.3411 -9.3411 -7.5360 -7.5360 -7.5339 -7.5339 -4.0401 -4.0401 -4.0399 -4.0399 -3.9003 -3.9003 -3.8981 -3.8981 -2.6831 -2.6831 -2.6425 -2.6425 -2.1426 -2.1426 -2.1319 -2.1319 -0.7627 -0.7627 -0.7538 -0.7538 -0.1230 -0.1230 -0.0863 -0.0863 0.4823 0.4823 0.5400 0.5400 0.7133 0.7133 0.7380 0.7380 1.2333 1.2333 1.2377 1.2377 1.8615 1.8615 1.9364 1.9364 2.1835 2.1835 2.1916 2.1916 2.4348 2.4348 2.4847 2.4847 4.7250 4.7250 4.7922 4.7922 6.2532 6.2532 6.2728 6.2728 6.8107 6.8107 6.8379 6.8379 8.5427 8.5427 k = 0.5000 0.4579 0.5322 ( 11882 PWs) bands (ev): -13.6131 -13.6131 -13.6130 -13.6130 -13.0292 -13.0292 -13.0286 -13.0286 -9.7470 -9.7470 -9.7459 -9.7459 -9.3411 -9.3411 -9.3406 -9.3406 -7.5486 -7.5486 -7.5462 -7.5462 -4.0399 -4.0399 -4.0396 -4.0396 -3.9003 -3.9003 -3.8979 -3.8979 -2.6930 -2.6930 -2.6451 -2.6451 -2.1532 -2.1532 -2.1387 -2.1387 -0.7796 -0.7796 -0.7719 -0.7719 -0.1021 -0.1021 -0.0648 -0.0648 0.4993 0.4993 0.5710 0.5710 0.7284 0.7284 0.7538 0.7538 1.2442 1.2442 1.2512 1.2512 1.8513 1.8513 1.9416 1.9416 2.1716 2.1716 2.1762 2.1762 2.4189 2.4189 2.4728 2.4728 4.7046 4.7046 4.7817 4.7817 6.2503 6.2503 6.2749 6.2749 6.8101 6.8101 6.8373 6.8373 8.5313 8.5313 k = 0.5000 0.4350 0.5322 ( 11892 PWs) bands (ev): -13.6129 -13.6129 -13.6127 -13.6127 -13.0318 -13.0318 -13.0312 -13.0312 -9.7335 -9.7335 -9.7322 -9.7322 -9.3406 -9.3406 -9.3400 -9.3400 -7.5633 -7.5633 -7.5606 -7.5606 -4.0397 -4.0397 -4.0393 -4.0393 -3.9003 -3.9003 -3.8978 -3.8978 -2.7027 -2.7027 -2.6482 -2.6482 -2.1650 -2.1650 -2.1467 -2.1467 -0.7978 -0.7978 -0.7918 -0.7918 -0.0795 -0.0795 -0.0409 -0.0409 0.5194 0.5194 0.6003 0.6003 0.7494 0.7494 0.7718 0.7718 1.2561 1.2561 1.2658 1.2658 1.8410 1.8410 1.9470 1.9470 2.1578 2.1578 2.1591 2.1591 2.4010 2.4010 2.4589 2.4589 4.6849 4.6849 4.7705 4.7705 6.2466 6.2466 6.2754 6.2754 6.8102 6.8102 6.8374 6.8374 8.5080 8.5085 k = 0.5000 0.4121 0.5322 ( 11892 PWs) bands (ev): -13.6127 -13.6127 -13.6125 -13.6125 -13.0347 -13.0347 -13.0340 -13.0340 -9.7183 -9.7183 -9.7170 -9.7170 -9.3399 -9.3399 -9.3392 -9.3392 -7.5798 -7.5798 -7.5768 -7.5768 -4.0394 -4.0394 -4.0389 -4.0389 -3.9003 -3.9003 -3.8977 -3.8977 -2.7123 -2.7123 -2.6518 -2.6518 -2.1778 -2.1778 -2.1558 -2.1558 -0.8168 -0.8168 -0.8126 -0.8126 -0.0550 -0.0550 -0.0146 -0.0146 0.5416 0.5416 0.6264 0.6264 0.7764 0.7764 0.7919 0.7919 1.2686 1.2686 1.2810 1.2810 1.8311 1.8311 1.9526 1.9526 2.1404 2.1404 2.1420 2.1420 2.3811 2.3811 2.4433 2.4433 4.6662 4.6662 4.7589 4.7589 6.2420 6.2420 6.2743 6.2743 6.8111 6.8111 6.8383 6.8383 8.4705 8.4712 k = 0.5000 0.3892 0.5322 ( 11882 PWs) bands (ev): -13.6125 -13.6125 -13.6123 -13.6123 -13.0377 -13.0377 -13.0370 -13.0370 -9.7017 -9.7017 -9.7003 -9.7003 -9.3391 -9.3391 -9.3383 -9.3383 -7.5979 -7.5979 -7.5948 -7.5948 -4.0391 -4.0391 -4.0385 -4.0385 -3.9004 -3.9004 -3.8977 -3.8977 -2.7217 -2.7217 -2.6560 -2.6560 -2.1915 -2.1915 -2.1658 -2.1658 -0.8361 -0.8361 -0.8338 -0.8338 -0.0285 -0.0285 0.0139 0.0139 0.5648 0.5648 0.6490 0.6490 0.8086 0.8086 0.8139 0.8139 1.2814 1.2814 1.2962 1.2962 1.8222 1.8222 1.9586 1.9586 2.1204 2.1204 2.1242 2.1242 2.3597 2.3597 2.4264 2.4264 4.6491 4.6491 4.7474 4.7474 6.2365 6.2365 6.2715 6.2715 6.8129 6.8129 6.8400 6.8400 8.4307 8.4308 k = 0.5000 0.3663 0.5322 ( 11874 PWs) bands (ev): -13.6123 -13.6123 -13.6122 -13.6122 -13.0409 -13.0409 -13.0401 -13.0401 -9.6839 -9.6839 -9.6824 -9.6824 -9.3381 -9.3381 -9.3372 -9.3372 -7.6176 -7.6176 -7.6143 -7.6143 -4.0388 -4.0388 -4.0381 -4.0381 -3.9004 -3.9004 -3.8977 -3.8977 -2.7306 -2.7306 -2.6608 -2.6608 -2.2056 -2.2056 -2.1766 -2.1766 -0.8553 -0.8553 -0.8549 -0.8549 0.0001 0.0001 0.0445 0.0445 0.5882 0.5882 0.6686 0.6686 0.8376 0.8376 0.8444 0.8444 1.2939 1.2939 1.3105 1.3105 1.8148 1.8148 1.9648 1.9648 2.0997 2.0997 2.1043 2.1043 2.3368 2.3368 2.4085 2.4085 4.6339 4.6339 4.7363 4.7363 6.2300 6.2300 6.2671 6.2671 6.8157 6.8157 6.8427 6.8427 8.3915 8.3915 k = 0.5000 0.3434 0.5322 ( 11882 PWs) bands (ev): -13.6122 -13.6122 -13.6120 -13.6120 -13.0442 -13.0442 -13.0433 -13.0433 -9.6650 -9.6650 -9.6636 -9.6636 -9.3369 -9.3369 -9.3359 -9.3359 -7.6385 -7.6385 -7.6351 -7.6351 -4.0384 -4.0384 -4.0377 -4.0377 -3.9005 -3.9005 -3.8977 -3.8977 -2.7392 -2.7392 -2.6661 -2.6661 -2.2199 -2.2199 -2.1879 -2.1879 -0.8753 -0.8753 -0.8740 -0.8740 0.0306 0.0306 0.0768 0.0768 0.6113 0.6113 0.6865 0.6865 0.8626 0.8626 0.8818 0.8818 1.3054 1.3054 1.3230 1.3230 1.8097 1.8097 1.9703 1.9703 2.0795 2.0795 2.0827 2.0827 2.3128 2.3128 2.3902 2.3902 4.6209 4.6209 4.7260 4.7260 6.2226 6.2226 6.2611 6.2611 6.8195 6.8195 6.8463 6.8463 8.3533 8.3533 k = 0.5000 0.3205 0.5322 ( 11878 PWs) bands (ev): -13.6121 -13.6121 -13.6119 -13.6119 -13.0475 -13.0475 -13.0466 -13.0466 -9.6453 -9.6453 -9.6440 -9.6440 -9.3355 -9.3355 -9.3343 -9.3343 -7.6604 -7.6604 -7.6570 -7.6570 -4.0380 -4.0380 -4.0373 -4.0373 -3.9005 -3.9005 -3.8978 -3.8978 -2.7472 -2.7472 -2.6720 -2.6720 -2.2341 -2.2341 -2.1996 -2.1996 -0.8948 -0.8948 -0.8920 -0.8920 0.0631 0.0631 0.1106 0.1106 0.6338 0.6338 0.7033 0.7033 0.8885 0.8885 0.9193 0.9193 1.3155 1.3155 1.3326 1.3326 1.8072 1.8072 1.9730 1.9730 2.0596 2.0596 2.0624 2.0624 2.2881 2.2881 2.3717 2.3717 4.6103 4.6103 4.7166 4.7166 6.2143 6.2143 6.2537 6.2537 6.8242 6.8242 6.8507 6.8507 8.3166 8.3166 k = 0.5000 0.2976 0.5322 ( 11880 PWs) bands (ev): -13.6120 -13.6120 -13.6118 -13.6118 -13.0508 -13.0508 -13.0499 -13.0499 -9.6252 -9.6252 -9.6239 -9.6239 -9.3337 -9.3337 -9.3325 -9.3325 -7.6831 -7.6831 -7.6797 -7.6797 -4.0376 -4.0376 -4.0369 -4.0369 -3.9006 -3.9006 -3.8978 -3.8978 -2.7547 -2.7547 -2.6785 -2.6785 -2.2480 -2.2480 -2.2115 -2.2115 -0.9131 -0.9131 -0.9090 -0.9090 0.0972 0.0972 0.1455 0.1455 0.6554 0.6554 0.7197 0.7197 0.9149 0.9149 0.9558 0.9558 1.3235 1.3235 1.3384 1.3384 1.8073 1.8073 1.9682 1.9682 2.0355 2.0355 2.0531 2.0531 2.2631 2.2631 2.3537 2.3537 4.6023 4.6023 4.7085 4.7085 6.2053 6.2053 6.2451 6.2451 6.8298 6.8298 6.8557 6.8557 8.2815 8.2815 k = 0.5000 0.2747 0.5322 ( 11894 PWs) bands (ev): -13.6119 -13.6119 -13.6117 -13.6117 -13.0540 -13.0540 -13.0532 -13.0532 -9.6049 -9.6049 -9.6037 -9.6037 -9.3317 -9.3317 -9.3304 -9.3304 -7.7062 -7.7062 -7.7029 -7.7029 -4.0372 -4.0372 -4.0364 -4.0364 -3.9006 -3.9006 -3.8980 -3.8980 -2.7616 -2.7616 -2.6855 -2.6855 -2.2612 -2.2612 -2.2235 -2.2235 -0.9301 -0.9301 -0.9250 -0.9250 0.1328 0.1328 0.1813 0.1813 0.6762 0.6762 0.7360 0.7360 0.9413 0.9413 0.9904 0.9904 1.3290 1.3290 1.3399 1.3399 1.8093 1.8093 1.9529 1.9529 2.0116 2.0116 2.0549 2.0549 2.2381 2.2381 2.3364 2.3364 4.5969 4.5969 4.7016 4.7016 6.1958 6.1958 6.2355 6.2355 6.8362 6.8362 6.8614 6.8614 8.2482 8.2482 k = 0.5000 0.2518 0.5322 ( 11904 PWs) bands (ev): -13.6118 -13.6118 -13.6117 -13.6117 -13.0572 -13.0572 -13.0564 -13.0564 -9.5847 -9.5847 -9.5837 -9.5837 -9.3294 -9.3294 -9.3279 -9.3279 -7.7296 -7.7296 -7.7264 -7.7264 -4.0368 -4.0368 -4.0360 -4.0360 -3.9007 -3.9007 -3.8981 -3.8981 -2.7678 -2.7678 -2.6930 -2.6930 -2.2735 -2.2735 -2.2353 -2.2353 -0.9456 -0.9456 -0.9397 -0.9397 0.1695 0.1695 0.2175 0.2175 0.6963 0.6963 0.7524 0.7524 0.9672 0.9672 1.0226 1.0226 1.3319 1.3319 1.3372 1.3372 1.8113 1.8113 1.9297 1.9297 1.9898 1.9898 2.0651 2.0651 2.2134 2.2134 2.3202 2.3202 4.5941 4.5941 4.6960 4.6960 6.1861 6.1861 6.2252 6.2252 6.8431 6.8431 6.8675 6.8675 8.2167 8.2167 k = 0.5000 0.2289 0.5322 ( 11900 PWs) bands (ev): -13.6118 -13.6118 -13.6116 -13.6116 -13.0602 -13.0602 -13.0595 -13.0595 -9.5651 -9.5651 -9.5642 -9.5642 -9.3266 -9.3266 -9.3250 -9.3250 -7.7527 -7.7527 -7.7498 -7.7498 -4.0364 -4.0364 -4.0356 -4.0356 -3.9008 -3.9008 -3.8983 -3.8983 -2.7733 -2.7733 -2.7009 -2.7009 -2.2848 -2.2848 -2.2468 -2.2468 -0.9596 -0.9596 -0.9532 -0.9532 0.2069 0.2069 0.2536 0.2536 0.7158 0.7158 0.7692 0.7692 0.9922 0.9922 1.0515 1.0515 1.3310 1.3310 1.3321 1.3321 1.8103 1.8103 1.9022 1.9022 1.9726 1.9726 2.0800 2.0800 2.1896 2.1896 2.3055 2.3055 4.5937 4.5937 4.6916 4.6916 6.1765 6.1765 6.2145 6.2145 6.8506 6.8506 6.8738 6.8738 8.1872 8.1872 k = 0.5000 0.2060 0.5322 ( 11898 PWs) bands (ev): -13.6117 -13.6117 -13.6116 -13.6116 -13.0631 -13.0631 -13.0624 -13.0624 -9.5464 -9.5464 -9.5457 -9.5457 -9.3234 -9.3234 -9.3217 -9.3217 -7.7754 -7.7754 -7.7726 -7.7726 -4.0360 -4.0360 -4.0353 -4.0353 -3.9008 -3.9008 -3.8985 -3.8985 -2.7779 -2.7779 -2.7092 -2.7092 -2.2948 -2.2948 -2.2579 -2.2579 -0.9721 -0.9721 -0.9654 -0.9654 0.2446 0.2446 0.2892 0.2892 0.7349 0.7349 0.7864 0.7864 1.0155 1.0155 1.0761 1.0761 1.3225 1.3225 1.3300 1.3300 1.8027 1.8027 1.8725 1.8725 1.9631 1.9631 2.0974 2.0974 2.1669 2.1669 2.2925 2.2925 4.5957 4.5957 4.6882 4.6882 6.1672 6.1672 6.2036 6.2036 6.8583 6.8583 6.8802 6.8802 8.1598 8.1598 k = 0.5000 0.1831 0.5322 ( 11894 PWs) bands (ev): -13.6117 -13.6117 -13.6115 -13.6115 -13.0658 -13.0658 -13.0651 -13.0651 -9.5289 -9.5289 -9.5284 -9.5284 -9.3198 -9.3198 -9.3181 -9.3181 -7.7971 -7.7971 -7.7946 -7.7946 -4.0356 -4.0356 -4.0349 -4.0349 -3.9008 -3.9008 -3.8987 -3.8987 -2.7817 -2.7817 -2.7177 -2.7177 -2.3035 -2.3035 -2.2685 -2.2685 -0.9830 -0.9830 -0.9764 -0.9764 0.2819 0.2819 0.3236 0.3236 0.7538 0.7538 0.8042 0.8042 1.0365 1.0365 1.0949 1.0949 1.3139 1.3139 1.3260 1.3260 1.7874 1.7874 1.8419 1.8419 1.9619 1.9619 2.1156 2.1156 2.1460 2.1460 2.2812 2.2812 4.5997 4.5997 4.6856 4.6856 6.1584 6.1584 6.1927 6.1927 6.8662 6.8662 6.8865 6.8865 8.1347 8.1347 k = 0.5000 0.1603 0.5322 ( 11900 PWs) bands (ev): -13.6116 -13.6116 -13.6115 -13.6115 -13.0682 -13.0682 -13.0676 -13.0676 -9.5131 -9.5131 -9.5128 -9.5128 -9.3158 -9.3158 -9.3141 -9.3141 -7.8175 -7.8175 -7.8153 -7.8153 -4.0352 -4.0352 -4.0346 -4.0346 -3.9008 -3.9008 -3.8989 -3.8989 -2.7846 -2.7846 -2.7263 -2.7263 -2.3108 -2.3108 -2.2784 -2.2784 -0.9924 -0.9924 -0.9860 -0.9860 0.3181 0.3181 0.3562 0.3562 0.7727 0.7727 0.8225 0.8225 1.0542 1.0542 1.1061 1.1061 1.3076 1.3076 1.3212 1.3212 1.7661 1.7661 1.8110 1.8110 1.9671 1.9671 2.1226 2.1226 2.1381 2.1381 2.2719 2.2719 4.6053 4.6053 4.6835 4.6835 6.1505 6.1505 6.1821 6.1821 6.8739 6.8739 6.8924 6.8924 8.1120 8.1120 k = 0.5000 0.1374 0.5322 ( 11904 PWs) bands (ev): -13.6116 -13.6116 -13.6115 -13.6115 -13.0704 -13.0704 -13.0698 -13.0698 -9.4992 -9.4992 -9.4990 -9.4990 -9.3115 -9.3115 -9.3098 -9.3098 -7.8363 -7.8363 -7.8343 -7.8343 -4.0349 -4.0349 -4.0343 -4.0343 -3.9008 -3.9008 -3.8991 -3.8991 -2.7865 -2.7865 -2.7348 -2.7348 -2.3167 -2.3167 -2.2876 -2.2876 -1.0003 -1.0003 -0.9944 -0.9944 0.3526 0.3526 0.3862 0.3862 0.7921 0.7921 0.8415 0.8415 1.0675 1.0675 1.1081 1.1081 1.3058 1.3058 1.3169 1.3169 1.7418 1.7418 1.7808 1.7808 1.9757 1.9757 2.1060 2.1060 2.1550 2.1550 2.2643 2.2643 4.6123 4.6123 4.6817 4.6817 6.1436 6.1436 6.1720 6.1720 6.8814 6.8814 6.8978 6.8978 8.0920 8.0920 k = 0.5000 0.1145 0.5322 ( 11900 PWs) bands (ev): -13.6116 -13.6116 -13.6115 -13.6115 -13.0722 -13.0722 -13.0718 -13.0718 -9.4873 -9.4873 -9.4872 -9.4872 -9.3070 -9.3070 -9.3055 -9.3055 -7.8530 -7.8530 -7.8513 -7.8513 -4.0346 -4.0346 -4.0341 -4.0341 -3.9008 -3.9008 -3.8994 -3.8994 -2.7874 -2.7874 -2.7432 -2.7432 -2.3211 -2.3211 -2.2959 -2.2959 -1.0068 -1.0068 -1.0016 -1.0016 0.3843 0.3843 0.4129 0.4129 0.8120 0.8120 0.8609 0.8609 1.0751 1.0751 1.1008 1.1008 1.3091 1.3091 1.3145 1.3145 1.7172 1.7172 1.7518 1.7518 1.9854 1.9854 2.0896 2.0896 2.1724 2.1724 2.2583 2.2583 4.6203 4.6203 4.6798 4.6798 6.1379 6.1379 6.1626 6.1626 6.8884 6.8884 6.9025 6.9025 8.0749 8.0749 k = 0.5000 0.0916 0.5322 ( 11890 PWs) bands (ev): -13.6116 -13.6116 -13.6115 -13.6115 -13.0738 -13.0738 -13.0734 -13.0734 -9.4777 -9.4777 -9.4776 -9.4776 -9.3027 -9.3027 -9.3014 -9.3014 -7.8672 -7.8672 -7.8658 -7.8658 -4.0343 -4.0343 -4.0339 -4.0339 -3.9008 -3.9008 -3.8996 -3.8996 -2.7873 -2.7873 -2.7511 -2.7511 -2.3241 -2.3241 -2.3034 -2.3034 -1.0119 -1.0119 -1.0076 -1.0076 0.4125 0.4125 0.4356 0.4356 0.8328 0.8328 0.8802 0.8802 1.0763 1.0763 1.0864 1.0864 1.3149 1.3149 1.3160 1.3160 1.6946 1.6946 1.7249 1.7249 1.9951 1.9951 2.0749 2.0749 2.1883 2.1883 2.2533 2.2533 4.6287 4.6287 4.6775 4.6775 6.1337 6.1337 6.1541 6.1541 6.8947 6.8947 6.9064 6.9064 8.0610 8.0610 k = 0.5000 0.0687 0.5322 ( 11884 PWs) bands (ev): -13.6116 -13.6116 -13.6115 -13.6115 -13.0750 -13.0750 -13.0747 -13.0747 -9.4703 -9.4703 -9.4702 -9.4702 -9.2989 -9.2989 -9.2978 -9.2978 -7.8786 -7.8786 -7.8776 -7.8776 -4.0341 -4.0341 -4.0338 -4.0338 -3.9007 -3.9007 -3.8998 -3.8998 -2.7861 -2.7861 -2.7586 -2.7586 -2.3258 -2.3258 -2.3099 -2.3099 -1.0157 -1.0157 -1.0123 -1.0123 0.4361 0.4361 0.4534 0.4534 0.8543 0.8543 0.8981 0.8981 1.0685 1.0685 1.0713 1.0713 1.3182 1.3182 1.3238 1.3238 1.6758 1.6758 1.7009 1.7009 2.0043 2.0043 2.0617 2.0617 2.2025 2.2025 2.2489 2.2489 4.6372 4.6372 4.6746 4.6746 6.1309 6.1309 6.1466 6.1466 6.9002 6.9002 6.9092 6.9092 8.0503 8.0503 k = 0.5000 0.0458 0.5322 ( 11896 PWs) bands (ev): -13.6115 -13.6115 -13.6115 -13.6115 -13.0759 -13.0759 -13.0757 -13.0757 -9.4651 -9.4651 -9.4650 -9.4650 -9.2958 -9.2958 -9.2950 -9.2950 -7.8869 -7.8869 -7.8862 -7.8862 -4.0339 -4.0339 -4.0337 -4.0337 -3.9006 -3.9006 -3.9000 -3.9000 -2.7839 -2.7839 -2.7653 -2.7653 -2.3261 -2.3261 -2.3154 -2.3154 -1.0182 -1.0182 -1.0159 -1.0159 0.4543 0.4543 0.4659 0.4659 0.8760 0.8760 0.9121 0.9121 1.0516 1.0516 1.0616 1.0616 1.3235 1.3235 1.3301 1.3301 1.6627 1.6627 1.6809 1.6809 2.0131 2.0131 2.0501 2.0501 2.2147 2.2147 2.2445 2.2445 4.6455 4.6455 4.6707 4.6707 6.1296 6.1296 6.1404 6.1404 6.9048 6.9048 6.9108 6.9108 8.0431 8.0431 k = 0.5000 0.0229 0.5322 ( 11898 PWs) bands (ev): -13.6115 -13.6115 -13.6115 -13.6115 -13.0764 -13.0764 -13.0763 -13.0763 -9.4619 -9.4619 -9.4619 -9.4619 -9.2937 -9.2937 -9.2933 -9.2933 -7.8919 -7.8919 -7.8916 -7.8916 -4.0338 -4.0338 -4.0337 -4.0337 -3.9005 -3.9005 -3.9002 -3.9002 -2.7807 -2.7807 -2.7714 -2.7714 -2.3252 -2.3252 -2.3198 -2.3198 -1.0195 -1.0195 -1.0183 -1.0183 0.4667 0.4667 0.4724 0.4724 0.8963 0.8963 0.9179 0.9179 1.0413 1.0413 1.0502 1.0502 1.3290 1.3290 1.3333 1.3333 1.6563 1.6563 1.6660 1.6660 2.0216 2.0216 2.0397 2.0397 2.2248 2.2248 2.2393 2.2393 4.6532 4.6532 4.6659 4.6659 6.1300 6.1300 6.1355 6.1355 6.9081 6.9081 6.9112 6.9112 8.0396 8.0396 k = 0.5000-0.0000 0.5322 ( 11896 PWs) bands (ev): -13.6115 -13.6115 -13.6115 -13.6115 -13.0765 -13.0765 -13.0765 -13.0765 -9.4609 -9.4609 -9.4609 -9.4609 -9.2929 -9.2929 -9.2929 -9.2929 -7.8935 -7.8935 -7.8935 -7.8935 -4.0337 -4.0337 -4.0337 -4.0337 -3.9003 -3.9003 -3.9003 -3.9003 -2.7765 -2.7765 -2.7765 -2.7765 -2.3231 -2.3231 -2.3231 -2.3231 -1.0195 -1.0195 -1.0195 -1.0195 0.4727 0.4727 0.4727 0.4727 0.9119 0.9119 0.9119 0.9119 1.0416 1.0416 1.0416 1.0416 1.3328 1.3328 1.3328 1.3328 1.6575 1.6575 1.6575 1.6575 2.0303 2.0303 2.0304 2.0304 2.2329 2.2329 2.2329 2.2329 4.6600 4.6600 4.6600 4.6600 6.1320 6.1320 6.1320 6.1320 6.9103 6.9103 6.9103 6.9103 8.0397 8.0397 k = 0.5000-0.0000 0.5322 ( 11896 PWs) bands (ev): -13.6115 -13.6115 -13.6115 -13.6115 -13.0765 -13.0765 -13.0765 -13.0765 -9.4609 -9.4609 -9.4609 -9.4609 -9.2929 -9.2929 -9.2929 -9.2929 -7.8935 -7.8935 -7.8935 -7.8935 -4.0337 -4.0337 -4.0337 -4.0337 -3.9003 -3.9003 -3.9003 -3.9003 -2.7765 -2.7765 -2.7765 -2.7765 -2.3231 -2.3231 -2.3231 -2.3231 -1.0195 -1.0195 -1.0195 -1.0195 0.4727 0.4727 0.4727 0.4727 0.9119 0.9119 0.9119 0.9119 1.0416 1.0416 1.0416 1.0416 1.3328 1.3328 1.3328 1.3328 1.6575 1.6575 1.6575 1.6575 2.0303 2.0303 2.0304 2.0304 2.2329 2.2329 2.2329 2.2329 4.6600 4.6600 4.6600 4.6600 6.1320 6.1320 6.1320 6.1320 6.9103 6.9103 6.9103 6.9103 8.0397 8.0397 k = 0.5000-0.0000 0.5091 ( 11902 PWs) bands (ev): -13.6116 -13.6116 -13.6116 -13.6116 -13.0764 -13.0764 -13.0764 -13.0764 -9.4608 -9.4608 -9.4608 -9.4608 -9.2930 -9.2930 -9.2929 -9.2929 -7.8935 -7.8935 -7.8935 -7.8935 -4.0337 -4.0337 -4.0337 -4.0337 -3.9005 -3.9005 -3.9004 -3.9004 -2.7775 -2.7775 -2.7750 -2.7750 -2.3243 -2.3243 -2.3217 -2.3217 -1.0199 -1.0199 -1.0173 -1.0173 0.4637 0.4637 0.4721 0.4721 0.9063 0.9063 0.9177 0.9177 1.0327 1.0327 1.0530 1.0530 1.3298 1.3298 1.3346 1.3346 1.6550 1.6550 1.6624 1.6624 2.0217 2.0217 2.0406 2.0406 2.2246 2.2246 2.2449 2.2449 4.6577 4.6577 4.6627 4.6627 6.1299 6.1299 6.1342 6.1342 6.9099 6.9099 6.9103 6.9103 8.0330 8.0330 k = 0.5000-0.0000 0.4859 ( 11898 PWs) bands (ev): -13.6120 -13.6120 -13.6119 -13.6119 -13.0760 -13.0760 -13.0759 -13.0759 -9.4607 -9.4607 -9.4607 -9.4607 -9.2933 -9.2933 -9.2933 -9.2933 -7.8936 -7.8936 -7.8934 -7.8934 -4.0336 -4.0336 -4.0336 -4.0336 -3.9009 -3.9009 -3.9007 -3.9007 -2.7781 -2.7781 -2.7731 -2.7731 -2.3254 -2.3254 -2.3202 -2.3202 -1.0188 -1.0188 -1.0136 -1.0136 0.4460 0.4460 0.4618 0.4618 0.9011 0.9011 0.9224 0.9224 1.0280 1.0280 1.0651 1.0651 1.3256 1.3256 1.3354 1.3354 1.6556 1.6556 1.6693 1.6693 2.0153 2.0153 2.0516 2.0516 2.2211 2.2211 2.2600 2.2600 4.6559 4.6559 4.6658 4.6658 6.1281 6.1281 6.1366 6.1366 6.9093 6.9093 6.9100 6.9100 8.0200 8.0200 k = 0.5000-0.0000 0.4628 ( 11896 PWs) bands (ev): -13.6125 -13.6125 -13.6124 -13.6124 -13.0754 -13.0754 -13.0752 -13.0752 -9.4604 -9.4604 -9.4604 -9.4604 -9.2938 -9.2938 -9.2938 -9.2938 -7.8935 -7.8935 -7.8933 -7.8933 -4.0335 -4.0335 -4.0334 -4.0334 -3.9016 -3.9016 -3.9013 -3.9013 -2.7782 -2.7782 -2.7708 -2.7708 -2.3263 -2.3263 -2.3185 -2.3185 -1.0160 -1.0160 -1.0084 -1.0084 0.4212 0.4212 0.4428 0.4428 0.8961 0.8961 0.9244 0.9244 1.0283 1.0283 1.0758 1.0758 1.3205 1.3205 1.3354 1.3354 1.6599 1.6599 1.6779 1.6779 2.0113 2.0113 2.0622 2.0622 2.2233 2.2233 2.2776 2.2776 4.6545 4.6545 4.6691 4.6691 6.1264 6.1264 6.1392 6.1392 6.9083 6.9083 6.9093 6.9093 8.0018 8.0018 k = 0.5000-0.0000 0.4396 ( 11908 PWs) bands (ev): -13.6132 -13.6132 -13.6131 -13.6131 -13.0745 -13.0745 -13.0743 -13.0743 -9.4599 -9.4599 -9.4599 -9.4599 -9.2946 -9.2946 -9.2945 -9.2945 -7.8935 -7.8935 -7.8931 -7.8931 -4.0333 -4.0333 -4.0332 -4.0332 -3.9024 -3.9024 -3.9020 -3.9020 -2.7779 -2.7779 -2.7681 -2.7681 -2.3269 -2.3269 -2.3167 -2.3167 -1.0117 -1.0117 -1.0017 -1.0017 0.3909 0.3909 0.4166 0.4166 0.8909 0.8909 0.9226 0.9226 1.0332 1.0332 1.0836 1.0836 1.3149 1.3149 1.3350 1.3350 1.6686 1.6686 1.6880 1.6880 2.0097 2.0097 2.0717 2.0717 2.2317 2.2317 2.2972 2.2972 4.6535 4.6535 4.6727 4.6727 6.1250 6.1250 6.1417 6.1417 6.9071 6.9071 6.9084 6.9084 7.9799 7.9799 k = 0.5000-0.0000 0.4165 ( 11914 PWs) bands (ev): -13.6141 -13.6141 -13.6140 -13.6140 -13.0733 -13.0733 -13.0732 -13.0732 -9.4594 -9.4594 -9.4594 -9.4594 -9.2955 -9.2955 -9.2954 -9.2954 -7.8934 -7.8934 -7.8930 -7.8930 -4.0330 -4.0330 -4.0329 -4.0329 -3.9035 -3.9035 -3.9030 -3.9030 -2.7772 -2.7772 -2.7652 -2.7652 -2.3272 -2.3272 -2.3147 -2.3147 -1.0060 -1.0060 -0.9937 -0.9937 0.3568 0.3568 0.3850 0.3850 0.8848 0.8848 0.9172 0.9172 1.0407 1.0407 1.0871 1.0871 1.3093 1.3093 1.3343 1.3343 1.6824 1.6824 1.6996 1.6996 2.0105 2.0105 2.0798 2.0798 2.2464 2.2464 2.3184 2.3184 4.6528 4.6528 4.6762 4.6762 6.1238 6.1238 6.1442 6.1442 6.9057 6.9057 6.9072 6.9072 7.9555 7.9555 k = 0.5000-0.0000 0.3934 ( 11914 PWs) bands (ev): -13.6152 -13.6152 -13.6150 -13.6150 -13.0720 -13.0720 -13.0718 -13.0718 -9.4588 -9.4588 -9.4588 -9.4588 -9.2966 -9.2966 -9.2965 -9.2965 -7.8934 -7.8934 -7.8928 -7.8928 -4.0328 -4.0328 -4.0326 -4.0326 -3.9047 -3.9047 -3.9041 -3.9041 -2.7761 -2.7761 -2.7620 -2.7620 -2.3272 -2.3272 -2.3125 -2.3125 -0.9990 -0.9990 -0.9845 -0.9845 0.3203 0.3203 0.3496 0.3496 0.8776 0.8776 0.9085 0.9085 1.0484 1.0484 1.0859 1.0859 1.3043 1.3043 1.3332 1.3332 1.7012 1.7012 1.7126 1.7126 2.0132 2.0132 2.0867 2.0867 2.2667 2.2667 2.3412 2.3412 4.6525 4.6525 4.6797 4.6797 6.1227 6.1227 6.1465 6.1465 6.9043 6.9043 6.9059 6.9059 7.9298 7.9298 k = 0.5000-0.0000 0.3702 ( 11908 PWs) bands (ev): -13.6164 -13.6164 -13.6162 -13.6162 -13.0705 -13.0705 -13.0702 -13.0702 -9.4581 -9.4581 -9.4581 -9.4581 -9.2978 -9.2978 -9.2977 -9.2977 -7.8932 -7.8932 -7.8927 -7.8927 -4.0324 -4.0324 -4.0323 -4.0323 -3.9061 -3.9061 -3.9055 -3.9055 -2.7747 -2.7747 -2.7587 -2.7587 -2.3268 -2.3268 -2.3101 -2.3101 -0.9908 -0.9908 -0.9744 -0.9744 0.2826 0.2826 0.3121 0.3121 0.8688 0.8688 0.8973 0.8973 1.0545 1.0545 1.0804 1.0804 1.3003 1.3003 1.3316 1.3316 1.7248 1.7248 1.7270 1.7270 2.0177 2.0177 2.0932 2.0932 2.2915 2.2915 2.3650 2.3650 4.6524 4.6524 4.6830 4.6830 6.1217 6.1217 6.1486 6.1486 6.9028 6.9028 6.9045 6.9045 7.9037 7.9037 k = 0.5000-0.0000 0.3471 ( 11906 PWs) bands (ev): -13.6176 -13.6176 -13.6175 -13.6175 -13.0688 -13.0688 -13.0686 -13.0686 -9.4573 -9.4573 -9.4572 -9.4572 -9.2992 -9.2992 -9.2991 -9.2991 -7.8931 -7.8931 -7.8925 -7.8925 -4.0321 -4.0321 -4.0319 -4.0319 -3.9077 -3.9077 -3.9069 -3.9069 -2.7730 -2.7730 -2.7553 -2.7553 -2.3259 -2.3259 -2.3075 -2.3075 -0.9817 -0.9817 -0.9636 -0.9636 0.2448 0.2448 0.2736 0.2736 0.8582 0.8582 0.8836 0.8836 1.0580 1.0580 1.0716 1.0716 1.2975 1.2975 1.3293 1.3293 1.7427 1.7427 1.7521 1.7521 2.0236 2.0236 2.1000 2.1000 2.3195 2.3195 2.3899 2.3899 4.6524 4.6524 4.6859 4.6859 6.1208 6.1208 6.1503 6.1503 6.9014 6.9014 6.9031 6.9031 7.8779 7.8779 k = 0.5000-0.0000 0.3240 ( 11904 PWs) bands (ev): -13.6190 -13.6190 -13.6189 -13.6189 -13.0670 -13.0670 -13.0668 -13.0668 -9.4564 -9.4564 -9.4564 -9.4564 -9.3007 -9.3007 -9.3006 -9.3006 -7.8930 -7.8930 -7.8923 -7.8923 -4.0317 -4.0317 -4.0315 -4.0315 -3.9093 -3.9093 -3.9085 -3.9085 -2.7710 -2.7710 -2.7520 -2.7520 -2.3245 -2.3245 -2.3046 -2.3046 -0.9718 -0.9718 -0.9524 -0.9524 0.2075 0.2075 0.2351 0.2351 0.8454 0.8454 0.8677 0.8677 1.0586 1.0586 1.0606 1.0606 1.2958 1.2958 1.3263 1.3263 1.7596 1.7596 1.7820 1.7820 2.0308 2.0308 2.1074 2.1074 2.3499 2.3499 2.4155 2.4155 4.6526 4.6526 4.6884 4.6884 6.1199 6.1199 6.1516 6.1516 6.9001 6.9001 6.9018 6.9018 7.8530 7.8530 k = 0.5000-0.0000 0.3008 ( 11904 PWs) bands (ev): -13.6205 -13.6205 -13.6203 -13.6203 -13.0652 -13.0652 -13.0649 -13.0649 -9.4554 -9.4554 -9.4554 -9.4554 -9.3023 -9.3023 -9.3022 -9.3022 -7.8928 -7.8928 -7.8921 -7.8921 -4.0313 -4.0313 -4.0312 -4.0312 -3.9110 -3.9110 -3.9101 -3.9101 -2.7689 -2.7689 -2.7489 -2.7489 -2.3225 -2.3225 -2.3014 -2.3014 -0.9615 -0.9615 -0.9410 -0.9410 0.1716 0.1716 0.1976 0.1976 0.8302 0.8302 0.8497 0.8497 1.0488 1.0488 1.0567 1.0567 1.2949 1.2949 1.3228 1.3228 1.7773 1.7773 1.8130 1.8130 2.0392 2.0392 2.1157 2.1157 2.3818 2.3818 2.4417 2.4417 4.6527 4.6527 4.6902 4.6902 6.1190 6.1190 6.1522 6.1522 6.8991 6.8991 6.9006 6.9006 7.8294 7.8294 k = 0.5000-0.0000 0.2777 ( 11904 PWs) bands (ev): -13.6219 -13.6219 -13.6218 -13.6218 -13.0633 -13.0633 -13.0630 -13.0630 -9.4544 -9.4544 -9.4544 -9.4544 -9.3040 -9.3040 -9.3038 -9.3038 -7.8927 -7.8927 -7.8920 -7.8920 -4.0310 -4.0310 -4.0308 -4.0308 -3.9127 -3.9127 -3.9118 -3.9118 -2.7666 -2.7666 -2.7459 -2.7459 -2.3199 -2.3199 -2.2981 -2.2981 -0.9509 -0.9509 -0.9297 -0.9297 0.1376 0.1376 0.1618 0.1618 0.8128 0.8128 0.8297 0.8297 1.0369 1.0369 1.0528 1.0528 1.2944 1.2944 1.3188 1.3188 1.7957 1.7957 1.8438 1.8438 2.0488 2.0488 2.1247 2.1247 2.4146 2.4146 2.4682 2.4682 4.6528 4.6528 4.6912 4.6912 6.1180 6.1180 6.1523 6.1523 6.8983 6.8983 6.8997 6.8997 7.8073 7.8073 k = 0.5000-0.0000 0.2545 ( 11900 PWs) bands (ev): -13.6234 -13.6234 -13.6233 -13.6233 -13.0613 -13.0613 -13.0610 -13.0610 -9.4534 -9.4534 -9.4534 -9.4534 -9.3057 -9.3057 -9.3055 -9.3055 -7.8925 -7.8925 -7.8918 -7.8918 -4.0306 -4.0306 -4.0305 -4.0305 -3.9145 -3.9145 -3.9135 -3.9135 -2.7643 -2.7643 -2.7433 -2.7433 -2.3167 -2.3167 -2.2946 -2.2946 -0.9404 -0.9404 -0.9188 -0.9188 0.1062 0.1062 0.1282 0.1282 0.7932 0.7932 0.8082 0.8082 1.0259 1.0259 1.0475 1.0475 1.2939 1.2939 1.3147 1.3147 1.8143 1.8143 1.8728 1.8728 2.0598 2.0598 2.1345 2.1345 2.4475 2.4475 2.4948 2.4948 4.6527 4.6527 4.6915 4.6915 6.1170 6.1170 6.1516 6.1516 6.8979 6.8979 6.8991 6.8991 7.7871 7.7871 k = 0.5000-0.0000 0.2314 ( 11904 PWs) bands (ev): -13.6249 -13.6249 -13.6247 -13.6247 -13.0594 -13.0594 -13.0592 -13.0592 -9.4524 -9.4524 -9.4523 -9.4523 -9.3074 -9.3074 -9.3073 -9.3073 -7.8923 -7.8923 -7.8916 -7.8916 -4.0303 -4.0303 -4.0302 -4.0302 -3.9161 -3.9161 -3.9151 -3.9151 -2.7619 -2.7619 -2.7411 -2.7411 -2.3130 -2.3130 -2.2909 -2.2909 -0.9302 -0.9302 -0.9087 -0.9087 0.0776 0.0776 0.0974 0.0974 0.7719 0.7719 0.7854 0.7854 1.0160 1.0160 1.0414 1.0414 1.2933 1.2933 1.3104 1.3104 1.8328 1.8328 1.8989 1.8989 2.0723 2.0723 2.1447 2.1447 2.4802 2.4802 2.5211 2.5211 4.6526 4.6526 4.6910 4.6910 6.1159 6.1159 6.1503 6.1503 6.8977 6.8977 6.8988 6.8988 7.7689 7.7689 k = 0.5000-0.0000 0.2083 ( 11888 PWs) bands (ev): -13.6263 -13.6263 -13.6261 -13.6261 -13.0576 -13.0576 -13.0573 -13.0573 -9.4513 -9.4513 -9.4513 -9.4513 -9.3091 -9.3091 -9.3089 -9.3089 -7.8921 -7.8921 -7.8915 -7.8915 -4.0300 -4.0300 -4.0299 -4.0299 -3.9177 -3.9177 -3.9167 -3.9167 -2.7595 -2.7595 -2.7393 -2.7393 -2.3088 -2.3088 -2.2873 -2.2873 -0.9206 -0.9206 -0.8996 -0.8996 0.0522 0.0522 0.0697 0.0697 0.7495 0.7495 0.7618 0.7618 1.0076 1.0076 1.0349 1.0349 1.2925 1.2925 1.3063 1.3063 1.8509 1.8509 1.9212 1.9212 2.0865 2.0865 2.1551 2.1551 2.5120 2.5120 2.5469 2.5469 4.6523 4.6523 4.6896 4.6896 6.1148 6.1148 6.1483 6.1483 6.8980 6.8980 6.8989 6.8989 7.7527 7.7527 k = 0.5000-0.0000 0.1851 ( 11884 PWs) bands (ev): -13.6276 -13.6276 -13.6274 -13.6274 -13.0558 -13.0558 -13.0556 -13.0556 -9.4503 -9.4503 -9.4503 -9.4503 -9.3107 -9.3107 -9.3106 -9.3106 -7.8919 -7.8919 -7.8913 -7.8913 -4.0297 -4.0297 -4.0296 -4.0296 -3.9192 -3.9192 -3.9182 -3.9182 -2.7572 -2.7572 -2.7380 -2.7380 -2.3041 -2.3041 -2.2836 -2.2836 -0.9116 -0.9116 -0.8916 -0.8916 0.0302 0.0302 0.0454 0.0454 0.7266 0.7266 0.7381 0.7381 1.0007 1.0007 1.0283 1.0283 1.2914 1.2914 1.3024 1.3024 1.8683 1.8683 1.9390 1.9390 2.1021 2.1021 2.1653 2.1653 2.5424 2.5424 2.5717 2.5717 4.6520 4.6520 4.6874 4.6874 6.1138 6.1138 6.1456 6.1456 6.8985 6.8985 6.8992 6.8992 7.7386 7.7386 k = 0.5000-0.0000 0.1620 ( 11890 PWs) bands (ev): -13.6288 -13.6288 -13.6287 -13.6287 -13.0542 -13.0542 -13.0540 -13.0540 -9.4493 -9.4493 -9.4493 -9.4493 -9.3123 -9.3123 -9.3121 -9.3121 -7.8917 -7.8917 -7.8912 -7.8912 -4.0295 -4.0295 -4.0294 -4.0294 -3.9206 -3.9206 -3.9197 -3.9197 -2.7549 -2.7549 -2.7371 -2.7371 -2.2993 -2.2993 -2.2802 -2.2802 -0.9036 -0.9036 -0.8850 -0.8850 0.0117 0.0117 0.0246 0.0246 0.7041 0.7041 0.7148 0.7148 0.9953 0.9953 1.0218 1.0218 1.2901 1.2901 1.2987 1.2987 1.8847 1.8847 1.9525 1.9525 2.1186 2.1186 2.1749 2.1749 2.5709 2.5709 2.5952 2.5952 4.6517 4.6517 4.6846 4.6846 6.1129 6.1129 6.1424 6.1424 6.8993 6.8993 6.8998 6.8998 7.7266 7.7266 k = 0.5000-0.0000 0.1388 ( 11904 PWs) bands (ev): -13.6299 -13.6299 -13.6298 -13.6298 -13.0527 -13.0527 -13.0525 -13.0525 -9.4484 -9.4484 -9.4484 -9.4484 -9.3137 -9.3137 -9.3136 -9.3136 -7.8916 -7.8916 -7.8911 -7.8911 -4.0293 -4.0293 -4.0293 -4.0293 -3.9218 -3.9218 -3.9209 -3.9209 -2.7526 -2.7526 -2.7366 -2.7366 -2.2943 -2.2943 -2.2771 -2.2771 -0.8966 -0.8966 -0.8798 -0.8798 -0.0033 -0.0033 0.0073 0.0073 0.6827 0.6827 0.6925 0.6925 0.9911 0.9911 1.0155 1.0155 1.2888 1.2888 1.2955 1.2955 1.9000 1.9000 1.9619 1.9619 2.1352 2.1352 2.1837 2.1837 2.5971 2.5971 2.6167 2.6167 4.6516 4.6516 4.6812 4.6812 6.1122 6.1122 6.1388 6.1388 6.9003 6.9003 6.9007 6.9007 7.7166 7.7166 k = 0.5000-0.0000 0.1157 ( 11906 PWs) bands (ev): -13.6309 -13.6309 -13.6308 -13.6308 -13.0514 -13.0514 -13.0513 -13.0513 -9.4476 -9.4476 -9.4476 -9.4476 -9.3149 -9.3149 -9.3148 -9.3148 -7.8914 -7.8914 -7.8910 -7.8910 -4.0292 -4.0292 -4.0291 -4.0291 -3.9228 -3.9228 -3.9221 -3.9221 -2.7505 -2.7505 -2.7366 -2.7366 -2.2894 -2.2894 -2.2745 -2.2745 -0.8906 -0.8906 -0.8760 -0.8760 -0.0151 -0.0151 -0.0066 -0.0066 0.6632 0.6632 0.6720 0.6720 0.9882 0.9882 1.0097 1.0097 1.2876 1.2876 1.2926 1.2926 1.9140 1.9140 1.9680 1.9680 2.1510 2.1510 2.1913 2.1913 2.6203 2.6203 2.6358 2.6358 4.6516 4.6516 4.6773 4.6773 6.1118 6.1118 6.1349 6.1349 6.9014 6.9014 6.9016 6.9016 7.7085 7.7085 k = 0.5000-0.0000 0.0926 ( 11908 PWs) bands (ev): -13.6317 -13.6317 -13.6316 -13.6316 -13.0504 -13.0504 -13.0502 -13.0502 -9.4469 -9.4469 -9.4469 -9.4469 -9.3160 -9.3160 -9.3159 -9.3159 -7.8913 -7.8913 -7.8909 -7.8909 -4.0290 -4.0290 -4.0290 -4.0290 -3.9237 -3.9237 -3.9230 -3.9230 -2.7484 -2.7484 -2.7369 -2.7369 -2.2848 -2.2848 -2.2724 -2.2724 -0.8855 -0.8855 -0.8734 -0.8734 -0.0239 -0.0239 -0.0174 -0.0174 0.6464 0.6464 0.6539 0.6539 0.9864 0.9864 1.0043 1.0043 1.2865 1.2865 1.2901 1.2901 1.9266 1.9266 1.9712 1.9712 2.1655 2.1655 2.1973 2.1973 2.6402 2.6402 2.6521 2.6521 4.6520 4.6520 4.6733 4.6733 6.1119 6.1119 6.1310 6.1310 6.9024 6.9024 6.9026 6.9026 7.7023 7.7023 k = 0.5000-0.0000 0.0694 ( 11910 PWs) bands (ev): -13.6323 -13.6323 -13.6323 -13.6323 -13.0495 -13.0495 -13.0494 -13.0494 -9.4464 -9.4464 -9.4464 -9.4464 -9.3169 -9.3169 -9.3168 -9.3168 -7.8912 -7.8912 -7.8909 -7.8909 -4.0290 -4.0290 -4.0290 -4.0290 -3.9243 -3.9243 -3.9238 -3.9238 -2.7464 -2.7464 -2.7376 -2.7376 -2.2806 -2.2806 -2.2710 -2.2710 -0.8814 -0.8814 -0.8721 -0.8721 -0.0300 -0.0300 -0.0254 -0.0254 0.6328 0.6328 0.6387 0.6387 0.9856 0.9856 0.9995 0.9995 1.2856 1.2856 1.2881 1.2881 1.9378 1.9378 1.9720 1.9720 2.1779 2.1779 2.2015 2.2015 2.6564 2.6564 2.6650 2.6650 4.6528 4.6528 4.6692 4.6692 6.1124 6.1124 6.1271 6.1271 6.9034 6.9034 6.9035 6.9035 7.6980 7.6980 k = 0.5000-0.0000 0.0463 ( 11924 PWs) bands (ev): -13.6328 -13.6328 -13.6328 -13.6328 -13.0488 -13.0488 -13.0488 -13.0488 -9.4460 -9.4460 -9.4460 -9.4460 -9.3175 -9.3175 -9.3174 -9.3174 -7.8911 -7.8911 -7.8909 -7.8909 -4.0289 -4.0289 -4.0289 -4.0289 -3.9248 -3.9248 -3.9244 -3.9244 -2.7445 -2.7445 -2.7386 -2.7386 -2.2770 -2.2770 -2.2705 -2.2705 -0.8780 -0.8780 -0.8717 -0.8717 -0.0339 -0.0339 -0.0309 -0.0309 0.6230 0.6230 0.6271 0.6271 0.9858 0.9858 0.9953 0.9953 1.2850 1.2850 1.2866 1.2866 1.9475 1.9475 1.9706 1.9706 2.1881 2.1881 2.2036 2.2036 2.6686 2.6686 2.6742 2.6742 4.6542 4.6542 4.6653 4.6653 6.1135 6.1135 6.1235 6.1235 6.9041 6.9041 6.9042 6.9042 7.6953 7.6953 k = 0.5000-0.0000 0.0231 ( 11942 PWs) bands (ev): -13.6331 -13.6331 -13.6331 -13.6331 -13.0484 -13.0484 -13.0484 -13.0484 -9.4457 -9.4457 -9.4457 -9.4457 -9.3179 -9.3179 -9.3178 -9.3178 -7.8910 -7.8910 -7.8909 -7.8909 -4.0289 -4.0289 -4.0289 -4.0289 -3.9250 -3.9250 -3.9248 -3.9248 -2.7428 -2.7428 -2.7398 -2.7398 -2.2741 -2.2741 -2.2708 -2.2708 -0.8754 -0.8754 -0.8723 -0.8723 -0.0359 -0.0359 -0.0344 -0.0344 0.6174 0.6174 0.6195 0.6195 0.9870 0.9870 0.9917 0.9917 1.2848 1.2848 1.2856 1.2856 1.9557 1.9557 1.9674 1.9674 2.1958 2.1958 2.2035 2.2035 2.6766 2.6766 2.6793 2.6793 4.6561 4.6561 4.6617 4.6617 6.1151 6.1151 6.1202 6.1202 6.9046 6.9046 6.9046 6.9046 7.6942 7.6942 k = 0.5000-0.0000-0.0000 ( 11938 PWs) bands (ev): -13.6332 -13.6332 -13.6332 -13.6332 -13.0483 -13.0483 -13.0483 -13.0483 -9.4456 -9.4456 -9.4456 -9.4456 -9.3180 -9.3180 -9.3180 -9.3180 -7.8909 -7.8909 -7.8909 -7.8909 -4.0289 -4.0289 -4.0289 -4.0289 -3.9250 -3.9250 -3.9250 -3.9250 -2.7412 -2.7412 -2.7412 -2.7412 -2.2720 -2.2720 -2.2720 -2.2720 -0.8735 -0.8735 -0.8735 -0.8735 -0.0360 -0.0360 -0.0360 -0.0360 0.6162 0.6162 0.6162 0.6162 0.9889 0.9889 0.9889 0.9889 1.2849 1.2849 1.2849 1.2849 1.9624 1.9624 1.9624 1.9624 2.2009 2.2009 2.2009 2.2009 2.6801 2.6801 2.6801 2.6801 4.6586 4.6586 4.6586 4.6586 6.1174 6.1174 6.1174 6.1174 6.9048 6.9048 6.9048 6.9048 7.6948 7.6948 k = 0.0000 0.0000 0.5322 ( 11866 PWs) bands (ev): -13.6235 -13.6235 -13.6054 -13.6054 -13.2419 -13.2419 -12.8880 -12.8880 -9.5120 -9.5120 -9.3062 -9.3062 -9.2815 -9.2815 -9.2498 -9.2498 -8.5876 -8.5876 -7.3009 -7.3009 -4.1175 -4.1175 -4.1173 -4.1173 -3.9227 -3.9227 -3.8626 -3.8626 -2.9343 -2.9343 -2.7638 -2.7638 -2.4261 -2.4261 -2.2693 -2.2693 -1.3926 -1.3926 0.0817 0.0817 0.3320 0.3320 0.5390 0.5390 0.7899 0.7899 0.8124 0.8124 0.8927 0.8927 1.1186 1.1186 1.1713 1.1713 1.3071 1.3071 1.4363 1.4363 1.9155 1.9155 1.9183 1.9183 2.2072 2.2072 2.5042 2.5042 2.5939 2.5939 4.0348 4.0348 4.9682 4.9682 5.9519 5.9519 6.2306 6.2306 6.9655 6.9655 7.0507 7.0507 7.5640 7.5640 k = 0.0238-0.0000 0.5322 ( 11866 PWs) bands (ev): -13.6235 -13.6235 -13.6054 -13.6054 -13.2415 -13.2415 -12.8886 -12.8886 -9.5120 -9.5120 -9.3061 -9.3061 -9.2820 -9.2820 -9.2506 -9.2506 -8.5850 -8.5850 -7.3026 -7.3026 -4.1172 -4.1172 -4.1167 -4.1167 -3.9226 -3.9226 -3.8628 -3.8628 -2.9338 -2.9338 -2.7635 -2.7635 -2.4258 -2.4258 -2.2692 -2.2692 -1.3924 -1.3924 0.0745 0.0745 0.3333 0.3333 0.5390 0.5390 0.7880 0.7880 0.8160 0.8160 0.8948 0.8948 1.1183 1.1183 1.1720 1.1720 1.3084 1.3084 1.4366 1.4366 1.9142 1.9142 1.9193 1.9193 2.2058 2.2058 2.5020 2.5020 2.5920 2.5920 4.0372 4.0372 4.9679 4.9679 5.9523 5.9523 6.2314 6.2314 6.9650 6.9650 7.0496 7.0496 7.5660 7.5660 k = 0.0476-0.0000 0.5322 ( 11868 PWs) bands (ev): -13.6233 -13.6233 -13.6054 -13.6054 -13.2402 -13.2402 -12.8902 -12.8902 -9.5118 -9.5118 -9.3061 -9.3061 -9.2837 -9.2837 -9.2528 -9.2528 -8.5774 -8.5774 -7.3076 -7.3076 -4.1161 -4.1161 -4.1152 -4.1152 -3.9223 -3.9223 -3.8632 -3.8632 -2.9321 -2.9321 -2.7626 -2.7626 -2.4250 -2.4250 -2.2690 -2.2690 -1.3917 -1.3917 0.0539 0.0539 0.3368 0.3368 0.5388 0.5388 0.7845 0.7845 0.8243 0.8243 0.9009 0.9009 1.1175 1.1175 1.1740 1.1740 1.3123 1.3123 1.4376 1.4376 1.9118 1.9118 1.9209 1.9209 2.2017 2.2017 2.4952 2.4952 2.5864 2.5864 4.0442 4.0442 4.9672 4.9672 5.9533 5.9533 6.2338 6.2338 6.9633 6.9633 7.0462 7.0462 7.5720 7.5720 k = 0.0714-0.0000 0.5322 ( 11874 PWs) bands (ev): -13.6231 -13.6231 -13.6054 -13.6054 -13.2380 -13.2380 -12.8930 -12.8930 -9.5115 -9.5115 -9.3060 -9.3060 -9.2868 -9.2868 -9.2559 -9.2559 -8.5649 -8.5649 -7.3159 -7.3159 -4.1142 -4.1142 -4.1128 -4.1128 -3.9218 -3.9218 -3.8639 -3.8639 -2.9294 -2.9294 -2.7611 -2.7611 -2.4237 -2.4237 -2.2688 -2.2688 -1.3904 -1.3904 0.0218 0.0218 0.3419 0.3419 0.5382 0.5382 0.7817 0.7817 0.8348 0.8348 0.9103 0.9103 1.1161 1.1161 1.1770 1.1770 1.3191 1.3191 1.4393 1.4393 1.9086 1.9086 1.9225 1.9225 2.1950 2.1950 2.4842 2.4842 2.5773 2.5773 4.0556 4.0556 4.9659 4.9659 5.9550 5.9550 6.2375 6.2375 6.9606 6.9606 7.0408 7.0408 7.5817 7.5817 k = 0.0952-0.0000 0.5322 ( 11880 PWs) bands (ev): -13.6229 -13.6229 -13.6055 -13.6055 -13.2350 -13.2350 -12.8969 -12.8969 -9.5111 -9.5111 -9.3058 -9.3058 -9.2916 -9.2916 -9.2594 -9.2594 -8.5478 -8.5478 -7.3274 -7.3274 -4.1116 -4.1116 -4.1095 -4.1095 -3.9211 -3.9211 -3.8648 -3.8648 -2.9256 -2.9256 -2.7592 -2.7592 -2.4219 -2.4219 -2.2685 -2.2685 -1.3884 -1.3884 -0.0196 -0.0196 0.3479 0.3479 0.5371 0.5371 0.7801 0.7801 0.8464 0.8464 0.9223 0.9223 1.1142 1.1142 1.1803 1.1803 1.3286 1.3286 1.4419 1.4419 1.9047 1.9047 1.9243 1.9243 2.1859 2.1859 2.4694 2.4694 2.5649 2.5649 4.0713 4.0713 4.9638 4.9638 5.9574 5.9574 6.2423 6.2423 6.9567 6.9567 7.0340 7.0340 7.5949 7.5949 k = 0.1190-0.0000 0.5322 ( 11888 PWs) bands (ev): -13.6225 -13.6225 -13.6055 -13.6055 -13.2312 -13.2312 -12.9018 -12.9018 -9.5105 -9.5105 -9.3056 -9.3056 -9.2983 -9.2983 -9.2627 -9.2627 -8.5265 -8.5265 -7.3421 -7.3421 -4.1084 -4.1084 -4.1055 -4.1055 -3.9202 -3.9202 -3.8661 -3.8661 -2.9208 -2.9208 -2.7569 -2.7569 -2.4195 -2.4195 -2.2681 -2.2681 -1.3856 -1.3856 -0.0681 -0.0681 0.3543 0.3543 0.5354 0.5354 0.7795 0.7795 0.8589 0.8589 0.9359 0.9359 1.1117 1.1117 1.1835 1.1835 1.3409 1.3409 1.4453 1.4453 1.9000 1.9000 1.9265 1.9265 2.1747 2.1747 2.4512 2.4512 2.5497 2.5497 4.0909 4.0909 4.9609 4.9609 5.9606 5.9606 6.2477 6.2477 6.9515 6.9515 7.0260 7.0260 7.6114 7.6114 k = 0.1429-0.0000 0.5322 ( 11888 PWs) bands (ev): -13.6221 -13.6221 -13.6056 -13.6056 -13.2265 -13.2265 -12.9078 -12.9078 -9.5098 -9.5098 -9.3070 -9.3070 -9.3052 -9.3052 -9.2656 -9.2656 -8.5015 -8.5015 -7.3599 -7.3599 -4.1044 -4.1044 -4.1008 -4.1008 -3.9192 -3.9192 -3.8675 -3.8675 -2.9151 -2.9151 -2.7544 -2.7544 -2.4167 -2.4167 -2.2679 -2.2679 -1.3816 -1.3816 -0.1220 -0.1220 0.3611 0.3611 0.5331 0.5331 0.7800 0.7800 0.8719 0.8719 0.9503 0.9503 1.1086 1.1086 1.1860 1.1860 1.3554 1.3554 1.4498 1.4498 1.8942 1.8942 1.9292 1.9292 2.1617 2.1617 2.4304 2.4304 2.5320 2.5320 4.1141 4.1141 4.9569 4.9569 5.9645 5.9645 6.2533 6.2533 6.9451 6.9451 7.0175 7.0175 7.6308 7.6308 k = 0.1667-0.0000 0.5322 ( 11898 PWs) bands (ev): -13.6216 -13.6216 -13.6057 -13.6057 -13.2211 -13.2211 -12.9147 -12.9147 -9.5089 -9.5089 -9.3169 -9.3169 -9.3050 -9.3050 -9.2681 -9.2681 -8.4731 -8.4731 -7.3806 -7.3806 -4.0999 -4.0999 -4.0954 -4.0954 -3.9180 -3.9180 -3.8692 -3.8692 -2.9084 -2.9084 -2.7517 -2.7517 -2.4134 -2.4134 -2.2677 -2.2677 -1.3762 -1.3762 -0.1800 -0.1800 0.3683 0.3683 0.5304 0.5304 0.7813 0.7813 0.8851 0.8851 0.9651 0.9651 1.1048 1.1048 1.1876 1.1876 1.3714 1.3714 1.4555 1.4555 1.8874 1.8874 1.9326 1.9326 2.1474 2.1474 2.4075 2.4075 2.5123 2.5123 4.1406 4.1406 4.9516 4.9516 5.9691 5.9691 6.2586 6.2586 6.9376 6.9376 7.0090 7.0090 7.6528 7.6528 k = 0.1905-0.0000 0.5322 ( 11896 PWs) bands (ev): -13.6211 -13.6211 -13.6059 -13.6059 -13.2148 -13.2148 -12.9226 -12.9226 -9.5078 -9.5078 -9.3279 -9.3279 -9.3046 -9.3046 -9.2703 -9.2703 -8.4416 -8.4416 -7.4042 -7.4042 -4.0950 -4.0950 -4.0896 -4.0896 -3.9168 -3.9168 -3.8711 -3.8711 -2.9010 -2.9010 -2.7491 -2.7491 -2.4095 -2.4095 -2.2679 -2.2679 -1.3692 -1.3692 -0.2408 -0.2408 0.3756 0.3756 0.5273 0.5273 0.7836 0.7836 0.8982 0.8982 0.9799 0.9799 1.1007 1.1007 1.1880 1.1880 1.3877 1.3877 1.4628 1.4628 1.8792 1.8792 1.9371 1.9371 2.1323 2.1323 2.3832 2.3832 2.4912 2.4912 4.1698 4.1698 4.9448 4.9448 5.9746 5.9746 6.2629 6.2629 6.9293 6.9293 7.0006 7.0006 7.6770 7.6770 k = 0.2143-0.0000 0.5322 ( 11886 PWs) bands (ev): -13.6205 -13.6205 -13.6060 -13.6060 -13.2077 -13.2077 -12.9313 -12.9313 -9.5064 -9.5064 -9.3395 -9.3395 -9.3042 -9.3042 -9.2723 -9.2723 -8.4076 -8.4076 -7.4304 -7.4304 -4.0896 -4.0896 -4.0834 -4.0834 -3.9155 -3.9155 -3.8732 -3.8732 -2.8928 -2.8928 -2.7467 -2.7467 -2.4053 -2.4053 -2.2683 -2.2683 -1.3602 -1.3602 -0.3036 -0.3036 0.3832 0.3832 0.5241 0.5241 0.7867 0.7867 0.9108 0.9108 0.9943 0.9943 1.0964 1.0964 1.1873 1.1873 1.4027 1.4027 1.4718 1.4718 1.8695 1.8695 1.9426 1.9426 2.1168 2.1168 2.3584 2.3584 2.4690 2.4690 4.2016 4.2016 4.9363 4.9363 5.9810 5.9810 6.2656 6.2656 6.9207 6.9207 6.9926 6.9926 7.7030 7.7030 k = 0.2381-0.0000 0.5322 ( 11880 PWs) bands (ev): -13.6199 -13.6199 -13.6063 -13.6063 -13.1999 -13.1999 -12.9408 -12.9408 -9.5048 -9.5048 -9.3515 -9.3515 -9.3036 -9.3036 -9.2742 -9.2742 -8.3713 -8.3713 -7.4592 -7.4592 -4.0839 -4.0839 -4.0769 -4.0769 -3.9141 -3.9141 -3.8755 -3.8755 -2.8840 -2.8840 -2.7447 -2.7447 -2.4005 -2.4005 -2.2692 -2.2692 -1.3489 -1.3489 -0.3676 -0.3676 0.3910 0.3910 0.5208 0.5208 0.7908 0.7908 0.9227 0.9227 1.0075 1.0075 1.0928 1.0928 1.1856 1.1856 1.4154 1.4154 1.4829 1.4829 1.8583 1.8583 1.9495 1.9495 2.1015 2.1015 2.3335 2.3335 2.4462 2.4462 4.2356 4.2356 4.9259 4.9259 5.9882 5.9882 6.2664 6.2664 6.9124 6.9124 6.9849 6.9849 7.7305 7.7305 k = 0.2619-0.0000 0.5322 ( 11876 PWs) bands (ev): -13.6192 -13.6192 -13.6065 -13.6065 -13.1914 -13.1914 -12.9510 -12.9510 -9.5029 -9.5029 -9.3635 -9.3635 -9.3031 -9.3031 -9.2761 -9.2761 -8.3329 -8.3329 -7.4904 -7.4904 -4.0780 -4.0780 -4.0704 -4.0704 -3.9127 -3.9127 -3.8779 -3.8779 -2.8746 -2.8746 -2.7432 -2.7432 -2.3952 -2.3952 -2.2707 -2.2707 -1.3350 -1.3350 -0.4322 -0.4322 0.3990 0.3990 0.5173 0.5173 0.7960 0.7960 0.9337 0.9337 1.0176 1.0176 1.0915 1.0915 1.1834 1.1834 1.4248 1.4248 1.4956 1.4956 1.8453 1.8453 1.9578 1.9578 2.0870 2.0870 2.3094 2.3094 2.4233 2.4233 4.2713 4.2713 4.9134 4.9134 5.9964 5.9964 6.2648 6.2648 6.9049 6.9049 6.9775 6.9775 7.7591 7.7591 k = 0.2857-0.0000 0.5322 ( 11878 PWs) bands (ev): -13.6185 -13.6185 -13.6068 -13.6068 -13.1823 -13.1823 -12.9619 -12.9619 -9.5007 -9.5007 -9.3754 -9.3754 -9.3024 -9.3024 -9.2779 -9.2779 -8.2929 -8.2929 -7.5237 -7.5237 -4.0720 -4.0720 -4.0640 -4.0640 -3.9114 -3.9114 -3.8804 -3.8804 -2.8648 -2.8648 -2.7424 -2.7424 -2.3895 -2.3895 -2.2728 -2.2728 -1.3183 -1.3183 -0.4968 -0.4968 0.4070 0.4070 0.5138 0.5138 0.8024 0.8024 0.9439 0.9439 1.0222 1.0222 1.0942 1.0942 1.1816 1.1816 1.4307 1.4307 1.5096 1.5096 1.8306 1.8306 1.9673 1.9673 2.0737 2.0737 2.2867 2.2867 2.4005 2.4005 4.3086 4.3086 4.8986 4.8986 6.0055 6.0055 6.2606 6.2606 6.8987 6.8987 6.9703 6.9703 7.7885 7.7885 k = 0.3095-0.0000 0.5322 ( 11864 PWs) bands (ev): -13.6177 -13.6177 -13.6071 -13.6071 -13.1724 -13.1724 -12.9733 -12.9733 -9.4981 -9.4981 -9.3869 -9.3869 -9.3017 -9.3017 -9.2797 -9.2797 -8.2514 -8.2514 -7.5591 -7.5591 -4.0661 -4.0661 -4.0578 -4.0578 -3.9101 -3.9101 -3.8829 -3.8829 -2.8547 -2.8547 -2.7423 -2.7423 -2.3834 -2.3834 -2.2756 -2.2756 -1.2985 -1.2985 -0.5611 -0.5611 0.4150 0.4150 0.5102 0.5102 0.8100 0.8100 0.9535 0.9535 1.0202 1.0202 1.0999 1.0999 1.1820 1.1820 1.4330 1.4330 1.5243 1.5243 1.8142 1.8142 1.9778 1.9778 2.0620 2.0620 2.2659 2.2659 2.3781 2.3781 4.3470 4.3470 4.8816 4.8816 6.0156 6.0156 6.2536 6.2536 6.8940 6.8940 6.9632 6.9632 7.8184 7.8184 k = 0.3333-0.0000 0.5322 ( 11874 PWs) bands (ev): -13.6169 -13.6169 -13.6075 -13.6075 -13.1620 -13.1620 -12.9853 -12.9853 -9.4951 -9.4951 -9.3981 -9.3981 -9.3009 -9.3009 -9.2815 -9.2815 -8.2087 -8.2087 -7.5964 -7.5964 -4.0602 -4.0602 -4.0520 -4.0520 -3.9088 -3.9088 -3.8855 -3.8855 -2.8443 -2.8443 -2.7432 -2.7432 -2.3768 -2.3768 -2.2792 -2.2792 -1.2755 -1.2755 -0.6245 -0.6245 0.4230 0.4230 0.5065 0.5065 0.8189 0.8189 0.9625 0.9625 1.0134 1.0134 1.1044 1.1044 1.1873 1.1873 1.4319 1.4319 1.5393 1.5393 1.7964 1.7964 1.9889 1.9889 2.0521 2.0521 2.2477 2.2477 2.3563 2.3563 4.3863 4.3863 4.8621 4.8621 6.0268 6.0268 6.2439 6.2439 6.8911 6.8911 6.9563 6.9563 7.8484 7.8484 k = 0.3571-0.0000 0.5322 ( 11880 PWs) bands (ev): -13.6162 -13.6162 -13.6079 -13.6079 -13.1510 -13.1510 -12.9977 -12.9977 -9.4918 -9.4918 -9.4088 -9.4088 -9.3000 -9.3000 -9.2832 -9.2832 -8.1650 -8.1650 -7.6353 -7.6353 -4.0547 -4.0547 -4.0467 -4.0467 -3.9076 -3.9076 -3.8880 -3.8880 -2.8339 -2.8339 -2.7450 -2.7450 -2.3698 -2.3698 -2.2835 -2.2835 -1.2491 -1.2491 -0.6868 -0.6868 0.4308 0.4308 0.5026 0.5026 0.8292 0.8292 0.9708 0.9708 1.0042 1.0042 1.1041 1.1041 1.1992 1.1992 1.4271 1.4271 1.5547 1.5547 1.7774 1.7774 1.9998 1.9998 2.0443 2.0443 2.2327 2.2327 2.3353 2.3353 4.4262 4.4262 4.8402 4.8402 6.0389 6.0389 6.2319 6.2319 6.8899 6.8899 6.9494 6.9494 7.8783 7.8783 k = 0.3810-0.0000 0.5322 ( 11888 PWs) bands (ev): -13.6154 -13.6154 -13.6084 -13.6084 -13.1395 -13.1395 -13.0105 -13.0105 -9.4879 -9.4879 -9.4190 -9.4190 -9.2990 -9.2990 -9.2849 -9.2849 -8.1206 -8.1206 -7.6757 -7.6757 -4.0495 -4.0495 -4.0422 -4.0422 -3.9065 -3.9065 -3.8905 -3.8905 -2.8235 -2.8235 -2.7478 -2.7478 -2.3625 -2.3625 -2.2886 -2.2886 -1.2192 -1.2192 -0.7475 -0.7475 0.4385 0.4385 0.4984 0.4984 0.8406 0.8406 0.9760 0.9760 0.9963 0.9963 1.0987 1.0987 1.2170 1.2170 1.4188 1.4188 1.5704 1.5704 1.7576 1.7576 2.0098 2.0098 2.0384 2.0384 2.2216 2.2216 2.3151 2.3151 4.4664 4.4664 4.8158 4.8158 6.0522 6.0522 6.2178 6.2178 6.8904 6.8904 6.9426 6.9426 7.9078 7.9078 k = 0.4048-0.0000 0.5322 ( 11880 PWs) bands (ev): -13.6146 -13.6146 -13.6090 -13.6090 -13.1276 -13.1276 -13.0235 -13.0235 -9.4836 -9.4836 -9.4286 -9.4286 -9.2979 -9.2979 -9.2866 -9.2866 -8.0756 -8.0756 -7.7174 -7.7174 -4.0448 -4.0448 -4.0385 -4.0385 -3.9053 -3.9053 -3.8928 -3.8928 -2.8133 -2.8133 -2.7516 -2.7516 -2.3548 -2.3548 -2.2945 -2.2945 -1.1860 -1.1860 -0.8065 -0.8065 0.4459 0.4459 0.4940 0.4940 0.8533 0.8533 0.9703 0.9703 0.9983 0.9983 1.0898 1.0898 1.2384 1.2384 1.4071 1.4071 1.5866 1.5866 1.7373 1.7373 2.0181 2.0181 2.0344 2.0344 2.2148 2.2148 2.2960 2.2960 4.5065 4.5065 4.7890 4.7890 6.0664 6.0664 6.2021 6.2021 6.8924 6.8924 6.9358 6.9358 7.9366 7.9366 k = 0.4286-0.0000 0.5322 ( 11890 PWs) bands (ev): -13.6138 -13.6138 -13.6095 -13.6095 -13.1152 -13.1152 -13.0367 -13.0367 -9.4788 -9.4788 -9.4376 -9.4376 -9.2968 -9.2968 -9.2883 -9.2883 -8.0301 -8.0301 -7.7602 -7.7602 -4.0408 -4.0408 -4.0357 -4.0357 -3.9042 -3.9042 -3.8950 -3.8950 -2.8033 -2.8033 -2.7564 -2.7564 -2.3470 -2.3470 -2.3009 -2.3009 -1.1492 -1.1492 -0.8634 -0.8634 0.4531 0.4531 0.4892 0.4892 0.8669 0.8669 0.9575 0.9575 1.0071 1.0071 1.0788 1.0788 1.2617 1.2617 1.3922 1.3922 1.6034 1.6034 1.7169 1.7169 2.0241 2.0241 2.0320 2.0320 2.2128 2.2128 2.2779 2.2779 4.5462 4.5462 4.7599 4.7599 6.0816 6.0816 6.1852 6.1852 6.8956 6.8956 6.9291 6.9291 7.9644 7.9644 k = 0.4524-0.0000 0.5322 ( 11894 PWs) bands (ev): -13.6130 -13.6130 -13.6102 -13.6102 -13.1026 -13.1026 -13.0499 -13.0499 -9.4734 -9.4734 -9.4460 -9.4460 -9.2955 -9.2955 -9.2899 -9.2899 -7.9845 -7.9845 -7.8040 -7.8040 -4.0375 -4.0375 -4.0340 -4.0340 -3.9030 -3.9030 -3.8970 -3.8970 -2.7938 -2.7938 -2.7622 -2.7622 -2.3390 -2.3390 -2.3079 -2.3079 -1.1092 -1.1092 -0.9180 -0.9180 0.4600 0.4600 0.4841 0.4841 0.8814 0.8814 0.9428 0.9428 1.0178 1.0178 1.0667 1.0667 1.2857 1.2857 1.3746 1.3746 1.6208 1.6208 1.6967 1.6967 2.0278 2.0278 2.0309 2.0309 2.2155 2.2155 2.2612 2.2612 4.5853 4.5853 4.7286 4.7286 6.0977 6.0977 6.1676 6.1676 6.8998 6.8998 6.9226 6.9226 7.9910 7.9910 k = 0.4762-0.0000 0.5322 ( 11900 PWs) bands (ev): -13.6122 -13.6122 -13.6108 -13.6108 -13.0896 -13.0896 -13.0633 -13.0633 -9.4674 -9.4674 -9.4538 -9.4538 -9.2942 -9.2942 -9.2914 -9.2914 -7.9389 -7.9389 -7.8485 -7.8485 -4.0351 -4.0351 -4.0333 -4.0333 -3.9017 -3.9017 -3.8987 -3.8987 -2.7848 -2.7848 -2.7689 -2.7689 -2.3310 -2.3310 -2.3153 -2.3153 -1.0659 -1.0659 -0.9701 -0.9701 0.4665 0.4665 0.4786 0.4786 0.8965 0.8965 0.9275 0.9275 1.0294 1.0294 1.0541 1.0541 1.3096 1.3096 1.3546 1.3546 1.6388 1.6388 1.6768 1.6768 2.0296 2.0296 2.0306 2.0306 2.2225 2.2225 2.2460 2.2460 4.6233 4.6233 4.6952 4.6952 6.1145 6.1145 6.1498 6.1498 6.9047 6.9047 6.9163 6.9163 8.0162 8.0162 k = 0.5000-0.0000 0.5322 ( 11896 PWs) bands (ev): -13.6115 -13.6115 -13.6115 -13.6115 -13.0765 -13.0765 -13.0765 -13.0765 -9.4609 -9.4609 -9.4609 -9.4609 -9.2929 -9.2929 -9.2929 -9.2929 -7.8935 -7.8935 -7.8935 -7.8935 -4.0337 -4.0337 -4.0337 -4.0337 -3.9003 -3.9003 -3.9003 -3.9003 -2.7765 -2.7765 -2.7765 -2.7765 -2.3231 -2.3231 -2.3231 -2.3231 -1.0195 -1.0195 -1.0195 -1.0195 0.4727 0.4727 0.4727 0.4727 0.9119 0.9119 0.9119 0.9119 1.0416 1.0416 1.0416 1.0416 1.3328 1.3328 1.3328 1.3328 1.6575 1.6575 1.6575 1.6575 2.0303 2.0303 2.0304 2.0304 2.2329 2.2329 2.2329 2.2329 4.6600 4.6600 4.6600 4.6600 6.1320 6.1320 6.1320 6.1320 6.9103 6.9103 6.9103 6.9103 8.0397 8.0397 Writing output data file H3I3N2.save init_run : 0.44s CPU 0.64s WALL ( 1 calls) electrons : 394.81s CPU 398.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 394.80s CPU 398.48s 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 : 0.10s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.10s WALL ( 214 calls) cegterg : 365.46s CPU 368.43s WALL ( 376 calls) Called by sum_band: Called by *egterg: h_psi : 204.16s CPU 206.62s WALL ( 6547 calls) s_psi : 16.34s CPU 16.50s WALL ( 6547 calls) g_psi : 0.33s CPU 0.34s WALL ( 5957 calls) cdiaghg : 128.86s CPU 129.16s WALL ( 6171 calls) cegterg:over : 17.02s CPU 17.14s WALL ( 5957 calls) cegterg:upda : 11.48s CPU 11.60s WALL ( 5957 calls) cegterg:last : 6.36s CPU 6.44s WALL ( 804 calls) cdiaghg:chol : 5.18s CPU 5.20s WALL ( 6171 calls) cdiaghg:inve : 3.69s CPU 3.86s WALL ( 6171 calls) cdiaghg:para : 7.87s CPU 7.88s WALL ( 12342 calls) Called by h_psi: h_psi:vloc : 176.04s CPU 178.56s WALL ( 6547 calls) h_psi:vnl : 27.76s CPU 27.67s WALL ( 6547 calls) add_vuspsi : 14.15s CPU 14.03s WALL ( 6547 calls) General routines calbec : 13.58s CPU 13.62s WALL ( 6547 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 168.28s CPU 170.79s WALL ( 818740 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.26s CPU 0.29s WALL ( 428 calls) Parallel routines fft_scatter : 114.58s CPU 117.02s WALL ( 818763 calls) PWSCF : 7m25.34s CPU 7m52.89s WALL This run was terminated on: 23:14:26 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=