Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 6:12:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./HCCl2.save/ 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 49 27 7 2550 1066 156 Max 50 28 8 2554 1088 164 Sum 3569 2009 561 183749 77515 11611 bravais-lattice index = 14 lattice parameter (alat) = 11.6898 a.u. unit-cell volume = 1839.3638 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 3 number of electrons = 76.00 number of Kohn-Sham states= 92 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.689845 celldm(2)= 1.001309 celldm(3)= 1.189945 celldm(4)= 0.257133 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.001309 0.000000 ) a(3) = ( 0.000000 0.305974 1.149934 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.998692 -0.265731 ) b(3) = ( 0.000000 0.000000 0.869615 ) 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 C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) Cl 7.00 35.45300 Cl( 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= 227 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044053 k( 2) = ( 0.0000000 0.0000000 0.0189047), wk = 0.0044053 k( 3) = ( 0.0000000 0.0000000 0.0378093), wk = 0.0044053 k( 4) = ( 0.0000000 0.0000000 0.0567140), wk = 0.0044053 k( 5) = ( 0.0000000 0.0000000 0.0756187), wk = 0.0044053 k( 6) = ( 0.0000000 0.0000000 0.0945233), wk = 0.0044053 k( 7) = ( 0.0000000 0.0000000 0.1134280), wk = 0.0044053 k( 8) = ( 0.0000000 0.0000000 0.1323327), wk = 0.0044053 k( 9) = ( 0.0000000 0.0000000 0.1512374), wk = 0.0044053 k( 10) = ( 0.0000000 0.0000000 0.1701420), wk = 0.0044053 k( 11) = ( 0.0000000 0.0000000 0.1890467), wk = 0.0044053 k( 12) = ( 0.0000000 0.0000000 0.2079514), wk = 0.0044053 k( 13) = ( 0.0000000 0.0000000 0.2268560), wk = 0.0044053 k( 14) = ( 0.0000000 0.0000000 0.2457607), wk = 0.0044053 k( 15) = ( 0.0000000 0.0000000 0.2646654), wk = 0.0044053 k( 16) = ( 0.0000000 0.0000000 0.2835700), wk = 0.0044053 k( 17) = ( 0.0000000 0.0000000 0.3024747), wk = 0.0044053 k( 18) = ( 0.0000000 0.0000000 0.3213794), wk = 0.0044053 k( 19) = ( 0.0000000 0.0000000 0.3402841), wk = 0.0044053 k( 20) = ( 0.0000000 0.0000000 0.3591887), wk = 0.0044053 k( 21) = ( 0.0000000 0.0000000 0.3780934), wk = 0.0044053 k( 22) = ( 0.0000000 0.0000000 0.3969981), wk = 0.0044053 k( 23) = ( 0.0000000 0.0000000 0.4159027), wk = 0.0044053 k( 24) = ( 0.0000000 0.0000000 0.4348074), wk = 0.0044053 k( 25) = ( 0.0000000 0.0000000 0.4348074), wk = 0.0044053 k( 26) = ( 0.0000000 0.0190457 0.4348074), wk = 0.0044053 k( 27) = ( 0.0000000 0.0380914 0.4348074), wk = 0.0044053 k( 28) = ( 0.0000000 0.0571371 0.4348074), wk = 0.0044053 k( 29) = ( 0.0000000 0.0761829 0.4348074), wk = 0.0044053 k( 30) = ( 0.0000000 0.0952286 0.4348074), wk = 0.0044053 k( 31) = ( 0.0000000 0.1142743 0.4348074), wk = 0.0044053 k( 32) = ( 0.0000000 0.1333200 0.4348074), wk = 0.0044053 k( 33) = ( 0.0000000 0.1523657 0.4348074), wk = 0.0044053 k( 34) = ( 0.0000000 0.1714114 0.4348074), wk = 0.0044053 k( 35) = ( 0.0000000 0.1904571 0.4348074), wk = 0.0044053 k( 36) = ( 0.0000000 0.2095028 0.4348074), wk = 0.0044053 k( 37) = ( 0.0000000 0.2285486 0.4348074), wk = 0.0044053 k( 38) = ( 0.0000000 0.2475943 0.4348074), wk = 0.0044053 k( 39) = ( 0.0000000 0.2666400 0.4348074), wk = 0.0044053 k( 40) = ( 0.0000000 0.2856857 0.4348074), wk = 0.0044053 k( 41) = ( 0.0000000 0.3047314 0.4348074), wk = 0.0044053 k( 42) = ( 0.0000000 0.3237771 0.4348074), wk = 0.0044053 k( 43) = ( 0.0000000 0.3428228 0.4348074), wk = 0.0044053 k( 44) = ( 0.0000000 0.3618685 0.4348074), wk = 0.0044053 k( 45) = ( 0.0000000 0.3809143 0.4348074), wk = 0.0044053 k( 46) = ( 0.0000000 0.3999600 0.4348074), wk = 0.0044053 k( 47) = ( 0.0000000 0.4190057 0.4348074), wk = 0.0044053 k( 48) = ( 0.0000000 0.4190057 0.4348074), wk = 0.0044053 k( 49) = ( 0.0000000 0.4290482 0.4181992), wk = 0.0044053 k( 50) = ( 0.0000000 0.4390908 0.4015910), wk = 0.0044053 k( 51) = ( 0.0000000 0.4491334 0.3849828), wk = 0.0044053 k( 52) = ( 0.0000000 0.4591759 0.3683745), wk = 0.0044053 k( 53) = ( 0.0000000 0.4692185 0.3517663), wk = 0.0044053 k( 54) = ( 0.0000000 0.4792610 0.3351581), wk = 0.0044053 k( 55) = ( 0.0000000 0.4893036 0.3185499), wk = 0.0044053 k( 56) = ( 0.0000000 0.4993462 0.3019417), wk = 0.0044053 k( 57) = ( 0.0000000 0.4993462 0.3019417), wk = 0.0044053 k( 58) = ( 0.0192308 0.4993462 0.3019417), wk = 0.0044053 k( 59) = ( 0.0384615 0.4993462 0.3019417), wk = 0.0044053 k( 60) = ( 0.0576923 0.4993462 0.3019417), wk = 0.0044053 k( 61) = ( 0.0769231 0.4993462 0.3019417), wk = 0.0044053 k( 62) = ( 0.0961538 0.4993462 0.3019417), wk = 0.0044053 k( 63) = ( 0.1153846 0.4993462 0.3019417), wk = 0.0044053 k( 64) = ( 0.1346154 0.4993462 0.3019417), wk = 0.0044053 k( 65) = ( 0.1538461 0.4993462 0.3019417), wk = 0.0044053 k( 66) = ( 0.1730769 0.4993462 0.3019417), wk = 0.0044053 k( 67) = ( 0.1923077 0.4993462 0.3019417), wk = 0.0044053 k( 68) = ( 0.2115385 0.4993462 0.3019417), wk = 0.0044053 k( 69) = ( 0.2307692 0.4993462 0.3019417), wk = 0.0044053 k( 70) = ( 0.2500000 0.4993462 0.3019417), wk = 0.0044053 k( 71) = ( 0.2692308 0.4993462 0.3019417), wk = 0.0044053 k( 72) = ( 0.2884615 0.4993462 0.3019417), wk = 0.0044053 k( 73) = ( 0.3076923 0.4993462 0.3019417), wk = 0.0044053 k( 74) = ( 0.3269231 0.4993462 0.3019417), wk = 0.0044053 k( 75) = ( 0.3461538 0.4993462 0.3019417), wk = 0.0044053 k( 76) = ( 0.3653846 0.4993462 0.3019417), wk = 0.0044053 k( 77) = ( 0.3846154 0.4993462 0.3019417), wk = 0.0044053 k( 78) = ( 0.4038462 0.4993462 0.3019417), wk = 0.0044053 k( 79) = ( 0.4230769 0.4993462 0.3019417), wk = 0.0044053 k( 80) = ( 0.4423077 0.4993462 0.3019417), wk = 0.0044053 k( 81) = ( 0.4615385 0.4993462 0.3019417), wk = 0.0044053 k( 82) = ( 0.4807692 0.4993462 0.3019417), wk = 0.0044053 k( 83) = ( 0.5000000 0.4993462 0.3019417), wk = 0.0044053 k( 84) = ( 0.5000000 0.4993462 0.3019417), wk = 0.0044053 k( 85) = ( 0.5000000 0.5093887 0.2853334), wk = 0.0044053 k( 86) = ( 0.5000000 0.5194313 0.2687252), wk = 0.0044053 k( 87) = ( 0.5000000 0.5294738 0.2521170), wk = 0.0044053 k( 88) = ( 0.5000000 0.5395164 0.2355088), wk = 0.0044053 k( 89) = ( 0.5000000 0.5495589 0.2189006), wk = 0.0044053 k( 90) = ( 0.5000000 0.5596015 0.2022924), wk = 0.0044053 k( 91) = ( 0.5000000 0.5696441 0.1856841), wk = 0.0044053 k( 92) = ( 0.5000000 0.5796866 0.1690759), wk = 0.0044053 k( 93) = ( 0.5000000 0.5796866 0.1690759), wk = 0.0044053 k( 94) = ( 0.5000000 0.5746653 0.1502046), wk = 0.0044053 k( 95) = ( 0.5000000 0.5696441 0.1313332), wk = 0.0044053 k( 96) = ( 0.5000000 0.5646228 0.1124619), wk = 0.0044053 k( 97) = ( 0.5000000 0.5596015 0.0935905), wk = 0.0044053 k( 98) = ( 0.5000000 0.5545802 0.0747192), wk = 0.0044053 k( 99) = ( 0.5000000 0.5495589 0.0558478), wk = 0.0044053 k( 100) = ( 0.5000000 0.5445377 0.0369764), wk = 0.0044053 k( 101) = ( 0.5000000 0.5395164 0.0181051), wk = 0.0044053 k( 102) = ( 0.5000000 0.5344951 -0.0007663), wk = 0.0044053 k( 103) = ( 0.5000000 0.5294738 -0.0196376), wk = 0.0044053 k( 104) = ( 0.5000000 0.5244525 -0.0385090), wk = 0.0044053 k( 105) = ( 0.5000000 0.5194313 -0.0573803), wk = 0.0044053 k( 106) = ( 0.5000000 0.5144100 -0.0762517), wk = 0.0044053 k( 107) = ( 0.5000000 0.5093887 -0.0951230), wk = 0.0044053 k( 108) = ( 0.5000000 0.5043674 -0.1139944), wk = 0.0044053 k( 109) = ( 0.5000000 0.4993462 -0.1328657), wk = 0.0044053 k( 110) = ( 0.5000000 0.4993462 -0.1328657), wk = 0.0044053 k( 111) = ( 0.4807692 0.4993462 -0.1328657), wk = 0.0044053 k( 112) = ( 0.4615385 0.4993462 -0.1328657), wk = 0.0044053 k( 113) = ( 0.4423077 0.4993462 -0.1328657), wk = 0.0044053 k( 114) = ( 0.4230769 0.4993462 -0.1328657), wk = 0.0044053 k( 115) = ( 0.4038462 0.4993462 -0.1328657), wk = 0.0044053 k( 116) = ( 0.3846154 0.4993462 -0.1328657), wk = 0.0044053 k( 117) = ( 0.3653846 0.4993462 -0.1328657), wk = 0.0044053 k( 118) = ( 0.3461538 0.4993462 -0.1328657), wk = 0.0044053 k( 119) = ( 0.3269231 0.4993462 -0.1328657), wk = 0.0044053 k( 120) = ( 0.3076923 0.4993462 -0.1328657), wk = 0.0044053 k( 121) = ( 0.2884615 0.4993462 -0.1328657), wk = 0.0044053 k( 122) = ( 0.2692308 0.4993462 -0.1328657), wk = 0.0044053 k( 123) = ( 0.2500000 0.4993462 -0.1328657), wk = 0.0044053 k( 124) = ( 0.2307692 0.4993462 -0.1328657), wk = 0.0044053 k( 125) = ( 0.2115385 0.4993462 -0.1328657), wk = 0.0044053 k( 126) = ( 0.1923077 0.4993462 -0.1328657), wk = 0.0044053 k( 127) = ( 0.1730769 0.4993462 -0.1328657), wk = 0.0044053 k( 128) = ( 0.1538461 0.4993462 -0.1328657), wk = 0.0044053 k( 129) = ( 0.1346154 0.4993462 -0.1328657), wk = 0.0044053 k( 130) = ( 0.1153846 0.4993462 -0.1328657), wk = 0.0044053 k( 131) = ( 0.0961538 0.4993462 -0.1328657), wk = 0.0044053 k( 132) = ( 0.0769231 0.4993462 -0.1328657), wk = 0.0044053 k( 133) = ( 0.0576923 0.4993462 -0.1328657), wk = 0.0044053 k( 134) = ( 0.0384615 0.4993462 -0.1328657), wk = 0.0044053 k( 135) = ( 0.0192308 0.4993462 -0.1328657), wk = 0.0044053 k( 136) = ( 0.0000000 0.4993462 -0.1328657), wk = 0.0044053 k( 137) = ( 0.0000000 0.4993462 -0.1328657), wk = 0.0044053 k( 138) = ( 0.0000000 0.5043674 -0.1139944), wk = 0.0044053 k( 139) = ( 0.0000000 0.5093887 -0.0951230), wk = 0.0044053 k( 140) = ( 0.0000000 0.5144100 -0.0762517), wk = 0.0044053 k( 141) = ( 0.0000000 0.5194313 -0.0573803), wk = 0.0044053 k( 142) = ( 0.0000000 0.5244525 -0.0385090), wk = 0.0044053 k( 143) = ( 0.0000000 0.5294738 -0.0196376), wk = 0.0044053 k( 144) = ( 0.0000000 0.5344951 -0.0007663), wk = 0.0044053 k( 145) = ( 0.0000000 0.5395164 0.0181051), wk = 0.0044053 k( 146) = ( 0.0000000 0.5445377 0.0369764), wk = 0.0044053 k( 147) = ( 0.0000000 0.5495589 0.0558478), wk = 0.0044053 k( 148) = ( 0.0000000 0.5545802 0.0747192), wk = 0.0044053 k( 149) = ( 0.0000000 0.5596015 0.0935905), wk = 0.0044053 k( 150) = ( 0.0000000 0.5646228 0.1124619), wk = 0.0044053 k( 151) = ( 0.0000000 0.5696441 0.1313332), wk = 0.0044053 k( 152) = ( 0.0000000 0.5746653 0.1502046), wk = 0.0044053 k( 153) = ( 0.0000000 0.5796866 0.1690759), wk = 0.0044053 k( 154) = ( 0.5000000 0.4190057 0.4348074), wk = 0.0044053 k( 155) = ( 0.5000000 0.3999600 0.4348074), wk = 0.0044053 k( 156) = ( 0.5000000 0.3809143 0.4348074), wk = 0.0044053 k( 157) = ( 0.5000000 0.3618685 0.4348074), wk = 0.0044053 k( 158) = ( 0.5000000 0.3428228 0.4348074), wk = 0.0044053 k( 159) = ( 0.5000000 0.3237771 0.4348074), wk = 0.0044053 k( 160) = ( 0.5000000 0.3047314 0.4348074), wk = 0.0044053 k( 161) = ( 0.5000000 0.2856857 0.4348074), wk = 0.0044053 k( 162) = ( 0.5000000 0.2666400 0.4348074), wk = 0.0044053 k( 163) = ( 0.5000000 0.2475943 0.4348074), wk = 0.0044053 k( 164) = ( 0.5000000 0.2285486 0.4348074), wk = 0.0044053 k( 165) = ( 0.5000000 0.2095028 0.4348074), wk = 0.0044053 k( 166) = ( 0.5000000 0.1904571 0.4348074), wk = 0.0044053 k( 167) = ( 0.5000000 0.1714114 0.4348074), wk = 0.0044053 k( 168) = ( 0.5000000 0.1523657 0.4348074), wk = 0.0044053 k( 169) = ( 0.5000000 0.1333200 0.4348074), wk = 0.0044053 k( 170) = ( 0.5000000 0.1142743 0.4348074), wk = 0.0044053 k( 171) = ( 0.5000000 0.0952286 0.4348074), wk = 0.0044053 k( 172) = ( 0.5000000 0.0761829 0.4348074), wk = 0.0044053 k( 173) = ( 0.5000000 0.0571371 0.4348074), wk = 0.0044053 k( 174) = ( 0.5000000 0.0380914 0.4348074), wk = 0.0044053 k( 175) = ( 0.5000000 0.0190457 0.4348074), wk = 0.0044053 k( 176) = ( 0.5000000 -0.0000000 0.4348074), wk = 0.0044053 k( 177) = ( 0.5000000 -0.0000000 0.4348074), wk = 0.0044053 k( 178) = ( 0.5000000 -0.0000000 0.4159027), wk = 0.0044053 k( 179) = ( 0.5000000 -0.0000000 0.3969981), wk = 0.0044053 k( 180) = ( 0.5000000 -0.0000000 0.3780934), wk = 0.0044053 k( 181) = ( 0.5000000 -0.0000000 0.3591887), wk = 0.0044053 k( 182) = ( 0.5000000 -0.0000000 0.3402841), wk = 0.0044053 k( 183) = ( 0.5000000 -0.0000000 0.3213794), wk = 0.0044053 k( 184) = ( 0.5000000 -0.0000000 0.3024747), wk = 0.0044053 k( 185) = ( 0.5000000 -0.0000000 0.2835700), wk = 0.0044053 k( 186) = ( 0.5000000 -0.0000000 0.2646654), wk = 0.0044053 k( 187) = ( 0.5000000 -0.0000000 0.2457607), wk = 0.0044053 k( 188) = ( 0.5000000 -0.0000000 0.2268560), wk = 0.0044053 k( 189) = ( 0.5000000 -0.0000000 0.2079514), wk = 0.0044053 k( 190) = ( 0.5000000 -0.0000000 0.1890467), wk = 0.0044053 k( 191) = ( 0.5000000 -0.0000000 0.1701420), wk = 0.0044053 k( 192) = ( 0.5000000 -0.0000000 0.1512374), wk = 0.0044053 k( 193) = ( 0.5000000 -0.0000000 0.1323327), wk = 0.0044053 k( 194) = ( 0.5000000 -0.0000000 0.1134280), wk = 0.0044053 k( 195) = ( 0.5000000 -0.0000000 0.0945233), wk = 0.0044053 k( 196) = ( 0.5000000 -0.0000000 0.0756187), wk = 0.0044053 k( 197) = ( 0.5000000 -0.0000000 0.0567140), wk = 0.0044053 k( 198) = ( 0.5000000 -0.0000000 0.0378093), wk = 0.0044053 k( 199) = ( 0.5000000 -0.0000000 0.0189047), wk = 0.0044053 k( 200) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0044053 k( 201) = ( 0.0000000 0.0000000 0.4348074), wk = 0.0044053 k( 202) = ( 0.0192308 -0.0000000 0.4348074), wk = 0.0044053 k( 203) = ( 0.0384615 -0.0000000 0.4348074), wk = 0.0044053 k( 204) = ( 0.0576923 -0.0000000 0.4348074), wk = 0.0044053 k( 205) = ( 0.0769231 -0.0000000 0.4348074), wk = 0.0044053 k( 206) = ( 0.0961538 -0.0000000 0.4348074), wk = 0.0044053 k( 207) = ( 0.1153846 -0.0000000 0.4348074), wk = 0.0044053 k( 208) = ( 0.1346154 -0.0000000 0.4348074), wk = 0.0044053 k( 209) = ( 0.1538461 -0.0000000 0.4348074), wk = 0.0044053 k( 210) = ( 0.1730769 -0.0000000 0.4348074), wk = 0.0044053 k( 211) = ( 0.1923077 -0.0000000 0.4348074), wk = 0.0044053 k( 212) = ( 0.2115385 -0.0000000 0.4348074), wk = 0.0044053 k( 213) = ( 0.2307692 -0.0000000 0.4348074), wk = 0.0044053 k( 214) = ( 0.2500000 -0.0000000 0.4348074), wk = 0.0044053 k( 215) = ( 0.2692308 -0.0000000 0.4348074), wk = 0.0044053 k( 216) = ( 0.2884615 -0.0000000 0.4348074), wk = 0.0044053 k( 217) = ( 0.3076923 -0.0000000 0.4348074), wk = 0.0044053 k( 218) = ( 0.3269231 -0.0000000 0.4348074), wk = 0.0044053 k( 219) = ( 0.3461538 -0.0000000 0.4348074), wk = 0.0044053 k( 220) = ( 0.3653846 -0.0000000 0.4348074), wk = 0.0044053 k( 221) = ( 0.3846154 -0.0000000 0.4348074), wk = 0.0044053 k( 222) = ( 0.4038462 -0.0000000 0.4348074), wk = 0.0044053 k( 223) = ( 0.4230769 -0.0000000 0.4348074), wk = 0.0044053 k( 224) = ( 0.4423077 -0.0000000 0.4348074), wk = 0.0044053 k( 225) = ( 0.4615385 -0.0000000 0.4348074), wk = 0.0044053 k( 226) = ( 0.4807692 -0.0000000 0.4348074), wk = 0.0044053 k( 227) = ( 0.5000000 -0.0000000 0.4348074), wk = 0.0044053 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044053 k( 2) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0044053 k( 3) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0044053 k( 4) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0044053 k( 5) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0044053 k( 6) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0044053 k( 7) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0044053 k( 8) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0044053 k( 9) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0044053 k( 10) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0044053 k( 11) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0044053 k( 12) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0044053 k( 13) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0044053 k( 14) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0044053 k( 15) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0044053 k( 16) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0044053 k( 17) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0044053 k( 18) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0044053 k( 19) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0044053 k( 20) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0044053 k( 21) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0044053 k( 22) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0044053 k( 23) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0044053 k( 24) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044053 k( 25) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044053 k( 26) = ( 0.0000000 0.0190707 0.5058275), wk = 0.0044053 k( 27) = ( 0.0000000 0.0381413 0.5116550), wk = 0.0044053 k( 28) = ( 0.0000000 0.0572119 0.5174825), wk = 0.0044053 k( 29) = ( 0.0000000 0.0762826 0.5233100), wk = 0.0044053 k( 30) = ( 0.0000000 0.0953533 0.5291375), wk = 0.0044053 k( 31) = ( 0.0000000 0.1144239 0.5349650), wk = 0.0044053 k( 32) = ( 0.0000000 0.1334946 0.5407924), wk = 0.0044053 k( 33) = ( 0.0000000 0.1525652 0.5466199), wk = 0.0044053 k( 34) = ( 0.0000000 0.1716359 0.5524474), wk = 0.0044053 k( 35) = ( 0.0000000 0.1907065 0.5582749), wk = 0.0044053 k( 36) = ( 0.0000000 0.2097772 0.5641024), wk = 0.0044053 k( 37) = ( 0.0000000 0.2288478 0.5699299), wk = 0.0044053 k( 38) = ( 0.0000000 0.2479185 0.5757574), wk = 0.0044053 k( 39) = ( 0.0000000 0.2669891 0.5815849), wk = 0.0044053 k( 40) = ( 0.0000000 0.2860598 0.5874124), wk = 0.0044053 k( 41) = ( 0.0000000 0.3051304 0.5932399), wk = 0.0044053 k( 42) = ( 0.0000000 0.3242011 0.5990673), wk = 0.0044053 k( 43) = ( 0.0000000 0.3432717 0.6048948), wk = 0.0044053 k( 44) = ( 0.0000000 0.3623424 0.6107223), wk = 0.0044053 k( 45) = ( 0.0000000 0.3814130 0.6165498), wk = 0.0044053 k( 46) = ( 0.0000000 0.4004837 0.6223773), wk = 0.0044053 k( 47) = ( 0.0000000 0.4195543 0.6282048), wk = 0.0044053 k( 48) = ( 0.0000000 0.4195543 0.6282048), wk = 0.0044053 k( 49) = ( 0.0000000 0.4296100 0.6121792), wk = 0.0044053 k( 50) = ( 0.0000000 0.4396658 0.5961536), wk = 0.0044053 k( 51) = ( 0.0000000 0.4497215 0.5801280), wk = 0.0044053 k( 52) = ( 0.0000000 0.4597772 0.5641024), wk = 0.0044053 k( 53) = ( 0.0000000 0.4698329 0.5480768), wk = 0.0044053 k( 54) = ( 0.0000000 0.4798886 0.5320512), wk = 0.0044053 k( 55) = ( 0.0000000 0.4899443 0.5160256), wk = 0.0044053 k( 56) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0044053 k( 57) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0044053 k( 58) = ( 0.0192308 0.5000000 0.5000000), wk = 0.0044053 k( 59) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0044053 k( 60) = ( 0.0576923 0.5000000 0.5000000), wk = 0.0044053 k( 61) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0044053 k( 62) = ( 0.0961538 0.5000000 0.5000000), wk = 0.0044053 k( 63) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0044053 k( 64) = ( 0.1346154 0.5000000 0.5000000), wk = 0.0044053 k( 65) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0044053 k( 66) = ( 0.1730769 0.5000000 0.5000000), wk = 0.0044053 k( 67) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0044053 k( 68) = ( 0.2115385 0.5000000 0.5000000), wk = 0.0044053 k( 69) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0044053 k( 70) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0044053 k( 71) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0044053 k( 72) = ( 0.2884615 0.5000000 0.5000000), wk = 0.0044053 k( 73) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0044053 k( 74) = ( 0.3269231 0.5000000 0.5000000), wk = 0.0044053 k( 75) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0044053 k( 76) = ( 0.3653846 0.5000000 0.5000000), wk = 0.0044053 k( 77) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0044053 k( 78) = ( 0.4038462 0.5000000 0.5000000), wk = 0.0044053 k( 79) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0044053 k( 80) = ( 0.4423077 0.5000000 0.5000000), wk = 0.0044053 k( 81) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0044053 k( 82) = ( 0.4807692 0.5000000 0.5000000), wk = 0.0044053 k( 83) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044053 k( 84) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044053 k( 85) = ( 0.5000000 0.5100557 0.4839744), wk = 0.0044053 k( 86) = ( 0.5000000 0.5201114 0.4679488), wk = 0.0044053 k( 87) = ( 0.5000000 0.5301671 0.4519232), wk = 0.0044053 k( 88) = ( 0.5000000 0.5402228 0.4358976), wk = 0.0044053 k( 89) = ( 0.5000000 0.5502785 0.4198720), wk = 0.0044053 k( 90) = ( 0.5000000 0.5603343 0.4038464), wk = 0.0044053 k( 91) = ( 0.5000000 0.5703900 0.3878208), wk = 0.0044053 k( 92) = ( 0.5000000 0.5804457 0.3717952), wk = 0.0044053 k( 93) = ( 0.5000000 0.5804457 0.3717952), wk = 0.0044053 k( 94) = ( 0.5000000 0.5754178 0.3485580), wk = 0.0044053 k( 95) = ( 0.5000000 0.5703900 0.3253208), wk = 0.0044053 k( 96) = ( 0.5000000 0.5653621 0.3020836), wk = 0.0044053 k( 97) = ( 0.5000000 0.5603343 0.2788464), wk = 0.0044053 k( 98) = ( 0.5000000 0.5553064 0.2556092), wk = 0.0044053 k( 99) = ( 0.5000000 0.5502785 0.2323720), wk = 0.0044053 k( 100) = ( 0.5000000 0.5452507 0.2091348), wk = 0.0044053 k( 101) = ( 0.5000000 0.5402228 0.1858976), wk = 0.0044053 k( 102) = ( 0.5000000 0.5351950 0.1626604), wk = 0.0044053 k( 103) = ( 0.5000000 0.5301671 0.1394232), wk = 0.0044053 k( 104) = ( 0.5000000 0.5251393 0.1161860), wk = 0.0044053 k( 105) = ( 0.5000000 0.5201114 0.0929488), wk = 0.0044053 k( 106) = ( 0.5000000 0.5150836 0.0697116), wk = 0.0044053 k( 107) = ( 0.5000000 0.5100557 0.0464744), wk = 0.0044053 k( 108) = ( 0.5000000 0.5050278 0.0232372), wk = 0.0044053 k( 109) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044053 k( 110) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044053 k( 111) = ( 0.4807692 0.5000000 0.0000000), wk = 0.0044053 k( 112) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0044053 k( 113) = ( 0.4423077 0.5000000 0.0000000), wk = 0.0044053 k( 114) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0044053 k( 115) = ( 0.4038462 0.5000000 0.0000000), wk = 0.0044053 k( 116) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0044053 k( 117) = ( 0.3653846 0.5000000 0.0000000), wk = 0.0044053 k( 118) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0044053 k( 119) = ( 0.3269231 0.5000000 -0.0000000), wk = 0.0044053 k( 120) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0044053 k( 121) = ( 0.2884615 0.5000000 -0.0000000), wk = 0.0044053 k( 122) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0044053 k( 123) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0044053 k( 124) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0044053 k( 125) = ( 0.2115385 0.5000000 0.0000000), wk = 0.0044053 k( 126) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0044053 k( 127) = ( 0.1730769 0.5000000 0.0000000), wk = 0.0044053 k( 128) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0044053 k( 129) = ( 0.1346154 0.5000000 0.0000000), wk = 0.0044053 k( 130) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0044053 k( 131) = ( 0.0961538 0.5000000 0.0000000), wk = 0.0044053 k( 132) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0044053 k( 133) = ( 0.0576923 0.5000000 0.0000000), wk = 0.0044053 k( 134) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0044053 k( 135) = ( 0.0192308 0.5000000 0.0000000), wk = 0.0044053 k( 136) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044053 k( 137) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044053 k( 138) = ( 0.0000000 0.5050278 0.0232372), wk = 0.0044053 k( 139) = ( 0.0000000 0.5100557 0.0464744), wk = 0.0044053 k( 140) = ( 0.0000000 0.5150836 0.0697116), wk = 0.0044053 k( 141) = ( 0.0000000 0.5201114 0.0929488), wk = 0.0044053 k( 142) = ( 0.0000000 0.5251393 0.1161860), wk = 0.0044053 k( 143) = ( 0.0000000 0.5301671 0.1394232), wk = 0.0044053 k( 144) = ( 0.0000000 0.5351950 0.1626604), wk = 0.0044053 k( 145) = ( 0.0000000 0.5402228 0.1858976), wk = 0.0044053 k( 146) = ( 0.0000000 0.5452507 0.2091348), wk = 0.0044053 k( 147) = ( 0.0000000 0.5502785 0.2323720), wk = 0.0044053 k( 148) = ( 0.0000000 0.5553064 0.2556092), wk = 0.0044053 k( 149) = ( 0.0000000 0.5603343 0.2788464), wk = 0.0044053 k( 150) = ( 0.0000000 0.5653621 0.3020836), wk = 0.0044053 k( 151) = ( 0.0000000 0.5703900 0.3253208), wk = 0.0044053 k( 152) = ( 0.0000000 0.5754178 0.3485580), wk = 0.0044053 k( 153) = ( 0.0000000 0.5804457 0.3717952), wk = 0.0044053 k( 154) = ( 0.5000000 0.4195543 0.6282048), wk = 0.0044053 k( 155) = ( 0.5000000 0.4004837 0.6223773), wk = 0.0044053 k( 156) = ( 0.5000000 0.3814130 0.6165498), wk = 0.0044053 k( 157) = ( 0.5000000 0.3623424 0.6107223), wk = 0.0044053 k( 158) = ( 0.5000000 0.3432717 0.6048948), wk = 0.0044053 k( 159) = ( 0.5000000 0.3242011 0.5990674), wk = 0.0044053 k( 160) = ( 0.5000000 0.3051304 0.5932399), wk = 0.0044053 k( 161) = ( 0.5000000 0.2860598 0.5874124), wk = 0.0044053 k( 162) = ( 0.5000000 0.2669891 0.5815849), wk = 0.0044053 k( 163) = ( 0.5000000 0.2479185 0.5757574), wk = 0.0044053 k( 164) = ( 0.5000000 0.2288478 0.5699299), wk = 0.0044053 k( 165) = ( 0.5000000 0.2097772 0.5641024), wk = 0.0044053 k( 166) = ( 0.5000000 0.1907065 0.5582749), wk = 0.0044053 k( 167) = ( 0.5000000 0.1716359 0.5524474), wk = 0.0044053 k( 168) = ( 0.5000000 0.1525652 0.5466199), wk = 0.0044053 k( 169) = ( 0.5000000 0.1334946 0.5407924), wk = 0.0044053 k( 170) = ( 0.5000000 0.1144239 0.5349649), wk = 0.0044053 k( 171) = ( 0.5000000 0.0953533 0.5291375), wk = 0.0044053 k( 172) = ( 0.5000000 0.0762826 0.5233100), wk = 0.0044053 k( 173) = ( 0.5000000 0.0572119 0.5174825), wk = 0.0044053 k( 174) = ( 0.5000000 0.0381413 0.5116550), wk = 0.0044053 k( 175) = ( 0.5000000 0.0190707 0.5058275), wk = 0.0044053 k( 176) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0044053 k( 177) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0044053 k( 178) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0044053 k( 179) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0044053 k( 180) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0044053 k( 181) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0044053 k( 182) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0044053 k( 183) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0044053 k( 184) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0044053 k( 185) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0044053 k( 186) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0044053 k( 187) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0044053 k( 188) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0044053 k( 189) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0044053 k( 190) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0044053 k( 191) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0044053 k( 192) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0044053 k( 193) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0044053 k( 194) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0044053 k( 195) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0044053 k( 196) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0044053 k( 197) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0044053 k( 198) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0044053 k( 199) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0044053 k( 200) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0044053 k( 201) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044053 k( 202) = ( 0.0192308 -0.0000000 0.5000000), wk = 0.0044053 k( 203) = ( 0.0384615 -0.0000000 0.5000000), wk = 0.0044053 k( 204) = ( 0.0576923 0.0000000 0.5000000), wk = 0.0044053 k( 205) = ( 0.0769231 -0.0000000 0.5000000), wk = 0.0044053 k( 206) = ( 0.0961538 0.0000000 0.5000000), wk = 0.0044053 k( 207) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0044053 k( 208) = ( 0.1346154 0.0000000 0.5000000), wk = 0.0044053 k( 209) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0044053 k( 210) = ( 0.1730769 0.0000000 0.5000000), wk = 0.0044053 k( 211) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0044053 k( 212) = ( 0.2115385 0.0000000 0.5000000), wk = 0.0044053 k( 213) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0044053 k( 214) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0044053 k( 215) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0044053 k( 216) = ( 0.2884615 -0.0000000 0.5000000), wk = 0.0044053 k( 217) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0044053 k( 218) = ( 0.3269231 0.0000000 0.5000000), wk = 0.0044053 k( 219) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0044053 k( 220) = ( 0.3653846 -0.0000000 0.5000000), wk = 0.0044053 k( 221) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0044053 k( 222) = ( 0.4038462 0.0000000 0.5000000), wk = 0.0044053 k( 223) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0044053 k( 224) = ( 0.4423077 0.0000000 0.5000000), wk = 0.0044053 k( 225) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0044053 k( 226) = ( 0.4807692 0.0000000 0.5000000), wk = 0.0044053 k( 227) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0044053 Dense grid: 183749 G-vectors FFT dimensions: ( 72, 72, 81) Smooth grid: 77515 G-vectors FFT dimensions: ( 54, 54, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.40 Mb ( 282, 92) NL pseudopotentials 0.72 Mb ( 141, 336) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2554) G-vector shells 0.02 Mb ( 2481) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.58 Mb ( 282, 368) Each subspace H/S matrix 0.06 Mb ( 61, 61) Each matrix 0.94 Mb ( 336, 2, 92) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./HCCl2.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 6.3 secs Computing kpt #: 3 total cpu time spent up to now is 8.3 secs Computing kpt #: 4 total cpu time spent up to now is 10.4 secs Computing kpt #: 5 total cpu time spent up to now is 12.5 secs Computing kpt #: 6 total cpu time spent up to now is 14.4 secs Computing kpt #: 7 total cpu time spent up to now is 16.3 secs Computing kpt #: 8 total cpu time spent up to now is 18.3 secs Computing kpt #: 9 total cpu time spent up to now is 20.4 secs Computing kpt #: 10 total cpu time spent up to now is 22.3 secs Computing kpt #: 11 total cpu time spent up to now is 24.2 secs Computing kpt #: 12 total cpu time spent up to now is 26.1 secs Computing kpt #: 13 total cpu time spent up to now is 28.4 secs Computing kpt #: 14 total cpu time spent up to now is 30.2 secs Computing kpt #: 15 total cpu time spent up to now is 32.0 secs Computing kpt #: 16 total cpu time spent up to now is 33.9 secs Computing kpt #: 17 total cpu time spent up to now is 35.6 secs Computing kpt #: 18 total cpu time spent up to now is 37.3 secs Computing kpt #: 19 total cpu time spent up to now is 38.9 secs Computing kpt #: 20 total cpu time spent up to now is 40.7 secs Computing kpt #: 21 total cpu time spent up to now is 42.5 secs Computing kpt #: 22 total cpu time spent up to now is 44.3 secs Computing kpt #: 23 total cpu time spent up to now is 45.9 secs Computing kpt #: 24 total cpu time spent up to now is 47.5 secs Computing kpt #: 25 total cpu time spent up to now is 49.1 secs Computing kpt #: 26 total cpu time spent up to now is 50.7 secs Computing kpt #: 27 total cpu time spent up to now is 52.4 secs Computing kpt #: 28 total cpu time spent up to now is 53.9 secs Computing kpt #: 29 total cpu time spent up to now is 55.4 secs Computing kpt #: 30 total cpu time spent up to now is 57.0 secs Computing kpt #: 31 total cpu time spent up to now is 58.8 secs Computing kpt #: 32 total cpu time spent up to now is 60.5 secs Computing kpt #: 33 total cpu time spent up to now is 62.2 secs Computing kpt #: 34 total cpu time spent up to now is 63.9 secs Computing kpt #: 35 total cpu time spent up to now is 65.6 secs Computing kpt #: 36 total cpu time spent up to now is 67.3 secs Computing kpt #: 37 total cpu time spent up to now is 69.1 secs Computing kpt #: 38 total cpu time spent up to now is 70.8 secs Computing kpt #: 39 total cpu time spent up to now is 72.4 secs Computing kpt #: 40 total cpu time spent up to now is 74.2 secs Computing kpt #: 41 total cpu time spent up to now is 75.7 secs Computing kpt #: 42 total cpu time spent up to now is 77.3 secs Computing kpt #: 43 total cpu time spent up to now is 78.8 secs Computing kpt #: 44 total cpu time spent up to now is 80.4 secs Computing kpt #: 45 total cpu time spent up to now is 82.0 secs Computing kpt #: 46 total cpu time spent up to now is 83.5 secs Computing kpt #: 47 total cpu time spent up to now is 85.0 secs Computing kpt #: 48 total cpu time spent up to now is 86.5 secs Computing kpt #: 49 total cpu time spent up to now is 88.0 secs Computing kpt #: 50 total cpu time spent up to now is 89.6 secs Computing kpt #: 51 total cpu time spent up to now is 91.2 secs Computing kpt #: 52 total cpu time spent up to now is 92.9 secs Computing kpt #: 53 total cpu time spent up to now is 94.5 secs Computing kpt #: 54 total cpu time spent up to now is 96.0 secs Computing kpt #: 55 total cpu time spent up to now is 97.6 secs Computing kpt #: 56 total cpu time spent up to now is 99.1 secs Computing kpt #: 57 total cpu time spent up to now is 100.6 secs Computing kpt #: 58 total cpu time spent up to now is 102.3 secs Computing kpt #: 59 total cpu time spent up to now is 104.0 secs Computing kpt #: 60 total cpu time spent up to now is 105.7 secs Computing kpt #: 61 total cpu time spent up to now is 107.3 secs Computing kpt #: 62 total cpu time spent up to now is 109.0 secs Computing kpt #: 63 total cpu time spent up to now is 110.7 secs Computing kpt #: 64 total cpu time spent up to now is 112.4 secs Computing kpt #: 65 total cpu time spent up to now is 114.0 secs Computing kpt #: 66 total cpu time spent up to now is 115.5 secs Computing kpt #: 67 total cpu time spent up to now is 117.0 secs Computing kpt #: 68 total cpu time spent up to now is 118.6 secs Computing kpt #: 69 total cpu time spent up to now is 120.2 secs Computing kpt #: 70 total cpu time spent up to now is 121.8 secs Computing kpt #: 71 total cpu time spent up to now is 123.5 secs Computing kpt #: 72 total cpu time spent up to now is 125.1 secs Computing kpt #: 73 total cpu time spent up to now is 126.8 secs Computing kpt #: 74 total cpu time spent up to now is 128.3 secs Computing kpt #: 75 total cpu time spent up to now is 129.9 secs Computing kpt #: 76 total cpu time spent up to now is 131.6 secs Computing kpt #: 77 total cpu time spent up to now is 133.3 secs Computing kpt #: 78 total cpu time spent up to now is 134.9 secs Computing kpt #: 79 total cpu time spent up to now is 136.5 secs Computing kpt #: 80 total cpu time spent up to now is 138.2 secs Computing kpt #: 81 total cpu time spent up to now is 139.8 secs Computing kpt #: 82 total cpu time spent up to now is 141.5 secs Computing kpt #: 83 total cpu time spent up to now is 143.2 secs Computing kpt #: 84 total cpu time spent up to now is 144.7 secs Computing kpt #: 85 total cpu time spent up to now is 146.2 secs Computing kpt #: 86 total cpu time spent up to now is 147.8 secs Computing kpt #: 87 total cpu time spent up to now is 149.4 secs Computing kpt #: 88 total cpu time spent up to now is 151.0 secs Computing kpt #: 89 total cpu time spent up to now is 152.6 secs Computing kpt #: 90 total cpu time spent up to now is 154.2 secs Computing kpt #: 91 total cpu time spent up to now is 155.8 secs Computing kpt #: 92 total cpu time spent up to now is 157.4 secs Computing kpt #: 93 total cpu time spent up to now is 159.0 secs Computing kpt #: 94 total cpu time spent up to now is 160.7 secs Computing kpt #: 95 total cpu time spent up to now is 162.3 secs Computing kpt #: 96 total cpu time spent up to now is 163.9 secs Computing kpt #: 97 total cpu time spent up to now is 165.6 secs Computing kpt #: 98 total cpu time spent up to now is 167.2 secs Computing kpt #: 99 total cpu time spent up to now is 168.9 secs Computing kpt #: 100 total cpu time spent up to now is 170.5 secs Computing kpt #: 101 total cpu time spent up to now is 172.2 secs Computing kpt #: 102 total cpu time spent up to now is 173.9 secs Computing kpt #: 103 total cpu time spent up to now is 175.6 secs Computing kpt #: 104 total cpu time spent up to now is 177.2 secs Computing kpt #: 105 total cpu time spent up to now is 178.8 secs Computing kpt #: 106 total cpu time spent up to now is 180.4 secs Computing kpt #: 107 total cpu time spent up to now is 182.0 secs Computing kpt #: 108 total cpu time spent up to now is 183.5 secs Computing kpt #: 109 total cpu time spent up to now is 185.2 secs Computing kpt #: 110 total cpu time spent up to now is 186.8 secs Computing kpt #: 111 total cpu time spent up to now is 188.4 secs Computing kpt #: 112 total cpu time spent up to now is 190.0 secs Computing kpt #: 113 total cpu time spent up to now is 191.6 secs Computing kpt #: 114 total cpu time spent up to now is 193.3 secs Computing kpt #: 115 total cpu time spent up to now is 195.0 secs Computing kpt #: 116 total cpu time spent up to now is 196.6 secs Computing kpt #: 117 total cpu time spent up to now is 198.2 secs Computing kpt #: 118 total cpu time spent up to now is 199.9 secs Computing kpt #: 119 total cpu time spent up to now is 201.4 secs Computing kpt #: 120 total cpu time spent up to now is 203.1 secs Computing kpt #: 121 total cpu time spent up to now is 204.7 secs Computing kpt #: 122 total cpu time spent up to now is 206.3 secs Computing kpt #: 123 total cpu time spent up to now is 208.3 secs Computing kpt #: 124 total cpu time spent up to now is 210.1 secs Computing kpt #: 125 total cpu time spent up to now is 211.9 secs Computing kpt #: 126 total cpu time spent up to now is 213.6 secs Computing kpt #: 127 total cpu time spent up to now is 215.3 secs Computing kpt #: 128 total cpu time spent up to now is 217.0 secs Computing kpt #: 129 total cpu time spent up to now is 218.7 secs Computing kpt #: 130 total cpu time spent up to now is 220.4 secs Computing kpt #: 131 total cpu time spent up to now is 222.0 secs Computing kpt #: 132 total cpu time spent up to now is 223.7 secs Computing kpt #: 133 total cpu time spent up to now is 225.3 secs Computing kpt #: 134 total cpu time spent up to now is 226.9 secs Computing kpt #: 135 total cpu time spent up to now is 228.7 secs Computing kpt #: 136 total cpu time spent up to now is 230.4 secs Computing kpt #: 137 total cpu time spent up to now is 232.1 secs Computing kpt #: 138 total cpu time spent up to now is 233.7 secs Computing kpt #: 139 total cpu time spent up to now is 235.3 secs Computing kpt #: 140 total cpu time spent up to now is 236.9 secs Computing kpt #: 141 total cpu time spent up to now is 238.6 secs Computing kpt #: 142 total cpu time spent up to now is 240.3 secs Computing kpt #: 143 total cpu time spent up to now is 241.9 secs Computing kpt #: 144 total cpu time spent up to now is 243.6 secs Computing kpt #: 145 total cpu time spent up to now is 245.2 secs Computing kpt #: 146 total cpu time spent up to now is 247.1 secs Computing kpt #: 147 total cpu time spent up to now is 248.7 secs Computing kpt #: 148 total cpu time spent up to now is 250.3 secs Computing kpt #: 149 total cpu time spent up to now is 251.9 secs Computing kpt #: 150 total cpu time spent up to now is 253.6 secs Computing kpt #: 151 total cpu time spent up to now is 255.3 secs Computing kpt #: 152 total cpu time spent up to now is 256.8 secs Computing kpt #: 153 total cpu time spent up to now is 258.3 secs Computing kpt #: 154 total cpu time spent up to now is 259.9 secs Computing kpt #: 155 total cpu time spent up to now is 261.4 secs Computing kpt #: 156 total cpu time spent up to now is 263.0 secs Computing kpt #: 157 total cpu time spent up to now is 264.6 secs Computing kpt #: 158 total cpu time spent up to now is 266.3 secs Computing kpt #: 159 total cpu time spent up to now is 267.9 secs Computing kpt #: 160 total cpu time spent up to now is 269.4 secs Computing kpt #: 161 total cpu time spent up to now is 271.0 secs Computing kpt #: 162 total cpu time spent up to now is 272.6 secs Computing kpt #: 163 total cpu time spent up to now is 274.1 secs Computing kpt #: 164 total cpu time spent up to now is 275.7 secs Computing kpt #: 165 total cpu time spent up to now is 277.3 secs Computing kpt #: 166 total cpu time spent up to now is 279.0 secs Computing kpt #: 167 total cpu time spent up to now is 280.5 secs Computing kpt #: 168 total cpu time spent up to now is 282.2 secs Computing kpt #: 169 total cpu time spent up to now is 283.8 secs Computing kpt #: 170 total cpu time spent up to now is 285.4 secs Computing kpt #: 171 total cpu time spent up to now is 286.9 secs Computing kpt #: 172 total cpu time spent up to now is 288.5 secs Computing kpt #: 173 total cpu time spent up to now is 290.0 secs Computing kpt #: 174 total cpu time spent up to now is 291.6 secs Computing kpt #: 175 total cpu time spent up to now is 293.2 secs Computing kpt #: 176 total cpu time spent up to now is 294.8 secs Computing kpt #: 177 total cpu time spent up to now is 296.3 secs Computing kpt #: 178 total cpu time spent up to now is 297.9 secs Computing kpt #: 179 total cpu time spent up to now is 299.4 secs Computing kpt #: 180 total cpu time spent up to now is 301.1 secs Computing kpt #: 181 total cpu time spent up to now is 302.8 secs Computing kpt #: 182 total cpu time spent up to now is 304.4 secs Computing kpt #: 183 total cpu time spent up to now is 306.0 secs Computing kpt #: 184 total cpu time spent up to now is 307.6 secs Computing kpt #: 185 total cpu time spent up to now is 309.3 secs Computing kpt #: 186 total cpu time spent up to now is 311.0 secs Computing kpt #: 187 total cpu time spent up to now is 312.7 secs Computing kpt #: 188 total cpu time spent up to now is 314.3 secs Computing kpt #: 189 total cpu time spent up to now is 315.7 secs Computing kpt #: 190 total cpu time spent up to now is 317.3 secs Computing kpt #: 191 total cpu time spent up to now is 318.9 secs Computing kpt #: 192 total cpu time spent up to now is 320.6 secs Computing kpt #: 193 total cpu time spent up to now is 322.2 secs Computing kpt #: 194 total cpu time spent up to now is 323.8 secs Computing kpt #: 195 total cpu time spent up to now is 325.4 secs Computing kpt #: 196 total cpu time spent up to now is 327.0 secs Computing kpt #: 197 total cpu time spent up to now is 328.6 secs Computing kpt #: 198 total cpu time spent up to now is 330.3 secs Computing kpt #: 199 total cpu time spent up to now is 331.9 secs Computing kpt #: 200 total cpu time spent up to now is 333.6 secs Computing kpt #: 201 total cpu time spent up to now is 335.3 secs Computing kpt #: 202 total cpu time spent up to now is 336.9 secs Computing kpt #: 203 total cpu time spent up to now is 338.5 secs Computing kpt #: 204 total cpu time spent up to now is 340.1 secs Computing kpt #: 205 total cpu time spent up to now is 341.9 secs Computing kpt #: 206 total cpu time spent up to now is 343.7 secs Computing kpt #: 207 total cpu time spent up to now is 345.3 secs Computing kpt #: 208 total cpu time spent up to now is 347.0 secs Computing kpt #: 209 total cpu time spent up to now is 348.6 secs Computing kpt #: 210 total cpu time spent up to now is 350.2 secs Computing kpt #: 211 total cpu time spent up to now is 351.9 secs Computing kpt #: 212 total cpu time spent up to now is 353.5 secs Computing kpt #: 213 total cpu time spent up to now is 355.0 secs Computing kpt #: 214 total cpu time spent up to now is 356.6 secs Computing kpt #: 215 total cpu time spent up to now is 358.2 secs Computing kpt #: 216 total cpu time spent up to now is 359.8 secs Computing kpt #: 217 total cpu time spent up to now is 361.4 secs Computing kpt #: 218 total cpu time spent up to now is 363.0 secs Computing kpt #: 219 total cpu time spent up to now is 364.5 secs Computing kpt #: 220 total cpu time spent up to now is 366.1 secs Computing kpt #: 221 total cpu time spent up to now is 367.7 secs Computing kpt #: 222 total cpu time spent up to now is 369.4 secs Computing kpt #: 223 total cpu time spent up to now is 371.1 secs Computing kpt #: 224 total cpu time spent up to now is 372.7 secs Computing kpt #: 225 total cpu time spent up to now is 374.3 secs Computing kpt #: 226 total cpu time spent up to now is 375.8 secs Computing kpt #: 227 total cpu time spent up to now is 377.3 secs ethr = 1.32E-08, avg # of iterations = 16.4 total cpu time spent up to now is 377.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9673 PWs) bands (ev): -16.0606 -16.0606 -15.9032 -15.9032 -14.4594 -14.4594 -14.3983 -14.3983 -13.2333 -13.2333 -13.1402 -13.1402 -12.6795 -12.6795 -12.6510 -12.6510 -10.1657 -10.1657 -10.0750 -10.0750 -8.5696 -8.5696 -8.2883 -8.2883 -4.9843 -4.9843 -4.8626 -4.8626 -4.8460 -4.8460 -4.5263 -4.5263 -4.2686 -4.2686 -4.1016 -4.1016 -3.7301 -3.7301 -3.4853 -3.4853 -2.9601 -2.9601 -2.4422 -2.4422 -0.8377 -0.8377 -0.4694 -0.4694 -0.3426 -0.3426 -0.2771 -0.2771 -0.0510 -0.0510 0.0167 0.0167 0.0315 0.0315 0.0799 0.0799 0.1337 0.1337 0.2163 0.2163 0.3487 0.3487 0.5569 0.5569 0.5731 0.5731 0.6071 0.6071 0.6797 0.6797 1.0189 1.0189 6.2382 6.2382 6.4053 6.4053 6.6028 6.6028 6.6538 6.6538 6.8604 6.8604 7.2120 7.2120 8.0043 8.0043 8.4204 8.4204 k = 0.0000 0.0000 0.0189 ( 9677 PWs) bands (ev): -16.0605 -16.0605 -15.9034 -15.9034 -14.4594 -14.4594 -14.3984 -14.3984 -13.2332 -13.2332 -13.1403 -13.1403 -12.6795 -12.6795 -12.6511 -12.6511 -10.1657 -10.1657 -10.0752 -10.0752 -8.5692 -8.5692 -8.2886 -8.2886 -4.9847 -4.9847 -4.8630 -4.8630 -4.8452 -4.8452 -4.5264 -4.5264 -4.2684 -4.2684 -4.1018 -4.1018 -3.7297 -3.7297 -3.4854 -3.4854 -2.9595 -2.9595 -2.4428 -2.4428 -0.8375 -0.8375 -0.4740 -0.4740 -0.3377 -0.3377 -0.2769 -0.2769 -0.0514 -0.0514 0.0165 0.0165 0.0319 0.0319 0.0791 0.0791 0.1344 0.1344 0.2154 0.2154 0.3479 0.3479 0.5529 0.5529 0.5766 0.5766 0.6079 0.6079 0.6803 0.6803 1.0183 1.0183 6.2383 6.2383 6.4053 6.4053 6.6029 6.6029 6.6540 6.6540 6.8598 6.8598 7.2116 7.2116 8.0052 8.0052 8.4227 8.4227 k = 0.0000 0.0000 0.0378 ( 9681 PWs) bands (ev): -16.0599 -16.0599 -15.9040 -15.9040 -14.4591 -14.4591 -14.3986 -14.3986 -13.2329 -13.2329 -13.1407 -13.1407 -12.6793 -12.6793 -12.6511 -12.6511 -10.1655 -10.1655 -10.0756 -10.0756 -8.5680 -8.5680 -8.2894 -8.2894 -4.9856 -4.9856 -4.8642 -4.8642 -4.8428 -4.8428 -4.5268 -4.5268 -4.2678 -4.2678 -4.1026 -4.1026 -3.7285 -3.7285 -3.4859 -3.4859 -2.9575 -2.9575 -2.4444 -2.4444 -0.8369 -0.8369 -0.4862 -0.4862 -0.3250 -0.3250 -0.2763 -0.2763 -0.0526 -0.0526 0.0159 0.0159 0.0332 0.0332 0.0769 0.0769 0.1365 0.1365 0.2129 0.2129 0.3456 0.3456 0.5454 0.5454 0.5820 0.5820 0.6109 0.6109 0.6820 0.6820 1.0167 1.0167 6.2388 6.2388 6.4056 6.4056 6.6033 6.6033 6.6548 6.6548 6.8581 6.8581 7.2103 7.2103 8.0078 8.0078 8.4293 8.4293 k = 0.0000 0.0000 0.0567 ( 9690 PWs) bands (ev): -16.0591 -16.0591 -15.9049 -15.9049 -14.4588 -14.4588 -14.3989 -14.3989 -13.2324 -13.2324 -13.1413 -13.1413 -12.6791 -12.6791 -12.6512 -12.6512 -10.1651 -10.1651 -10.0764 -10.0764 -8.5660 -8.5660 -8.2908 -8.2908 -4.9871 -4.9871 -4.8662 -4.8662 -4.8389 -4.8389 -4.5276 -4.5276 -4.2669 -4.2669 -4.1038 -4.1038 -3.7266 -3.7266 -3.4867 -3.4867 -2.9541 -2.9541 -2.4472 -2.4472 -0.8358 -0.8358 -0.5026 -0.5026 -0.3083 -0.3083 -0.2745 -0.2745 -0.0547 -0.0547 0.0150 0.0150 0.0355 0.0355 0.0736 0.0736 0.1396 0.1396 0.2087 0.2087 0.3418 0.3418 0.5377 0.5377 0.5851 0.5851 0.6171 0.6171 0.6847 0.6847 1.0140 1.0140 6.2396 6.2396 6.4060 6.4060 6.6040 6.6040 6.6561 6.6561 6.8553 6.8553 7.2081 7.2081 8.0120 8.0120 8.4404 8.4404 k = 0.0000 0.0000 0.0756 ( 9690 PWs) bands (ev): -16.0578 -16.0578 -15.9062 -15.9062 -14.4583 -14.4583 -14.3994 -14.3994 -13.2318 -13.2318 -13.1421 -13.1421 -12.6788 -12.6788 -12.6514 -12.6514 -10.1646 -10.1646 -10.0775 -10.0775 -8.5633 -8.5633 -8.2926 -8.2926 -4.9891 -4.9891 -4.8690 -4.8690 -4.8336 -4.8336 -4.5286 -4.5286 -4.2657 -4.2657 -4.1055 -4.1055 -3.7239 -3.7239 -3.4877 -3.4877 -2.9494 -2.9494 -2.4510 -2.4510 -0.8343 -0.8343 -0.5210 -0.5210 -0.2930 -0.2930 -0.2687 -0.2687 -0.0577 -0.0577 0.0139 0.0139 0.0386 0.0386 0.0695 0.0695 0.1434 0.1434 0.2032 0.2032 0.3367 0.3367 0.5305 0.5305 0.5853 0.5853 0.6263 0.6263 0.6880 0.6880 1.0103 1.0103 6.2408 6.2408 6.4065 6.4065 6.6049 6.6049 6.6580 6.6580 6.8515 6.8515 7.2050 7.2050 8.0179 8.0179 8.4557 8.4557 k = 0.0000 0.0000 0.0945 ( 9682 PWs) bands (ev): -16.0563 -16.0563 -15.9079 -15.9079 -14.4577 -14.4577 -14.4001 -14.4001 -13.2309 -13.2309 -13.1432 -13.1432 -12.6783 -12.6783 -12.6516 -12.6516 -10.1640 -10.1640 -10.0788 -10.0788 -8.5597 -8.5597 -8.2950 -8.2950 -4.9912 -4.9912 -4.8725 -4.8725 -4.8271 -4.8271 -4.5300 -4.5300 -4.2641 -4.2641 -4.1077 -4.1077 -3.7205 -3.7205 -3.4892 -3.4892 -2.9435 -2.9435 -2.4560 -2.4560 -0.8324 -0.8324 -0.5400 -0.5400 -0.2855 -0.2855 -0.2538 -0.2538 -0.0618 -0.0618 0.0126 0.0126 0.0425 0.0425 0.0650 0.0650 0.1477 0.1477 0.1965 0.1965 0.3305 0.3305 0.5240 0.5240 0.5835 0.5835 0.6373 0.6373 0.6917 0.6917 1.0057 1.0057 6.2423 6.2423 6.4070 6.4070 6.6061 6.6061 6.6605 6.6605 6.8467 6.8467 7.2009 7.2009 8.0254 8.0254 8.4752 8.4752 k = 0.0000 0.0000 0.1134 ( 9679 PWs) bands (ev): -16.0544 -16.0544 -15.9100 -15.9100 -14.4569 -14.4569 -14.4008 -14.4008 -13.2298 -13.2298 -13.1445 -13.1445 -12.6778 -12.6778 -12.6518 -12.6518 -10.1633 -10.1633 -10.0804 -10.0804 -8.5555 -8.5555 -8.2979 -8.2979 -4.9935 -4.9935 -4.8766 -4.8766 -4.8196 -4.8196 -4.5317 -4.5317 -4.2622 -4.2622 -4.1102 -4.1102 -3.7164 -3.7164 -3.4909 -3.4909 -2.9363 -2.9363 -2.4619 -2.4619 -0.8301 -0.8301 -0.5590 -0.5590 -0.2832 -0.2832 -0.2333 -0.2333 -0.0671 -0.0671 0.0112 0.0112 0.0468 0.0468 0.0609 0.0609 0.1523 0.1523 0.1891 0.1891 0.3234 0.3234 0.5184 0.5184 0.5804 0.5804 0.6492 0.6492 0.6955 0.6955 1.0003 1.0003 6.2442 6.2442 6.4074 6.4074 6.6076 6.6076 6.6637 6.6637 6.8413 6.8413 7.1957 7.1957 8.0344 8.0344 8.4984 8.4984 k = 0.0000 0.0000 0.1323 ( 9682 PWs) bands (ev): -16.0521 -16.0521 -15.9123 -15.9123 -14.4560 -14.4560 -14.4017 -14.4017 -13.2286 -13.2286 -13.1460 -13.1460 -12.6772 -12.6772 -12.6521 -12.6521 -10.1624 -10.1624 -10.0823 -10.0823 -8.5506 -8.5506 -8.3013 -8.3013 -4.9958 -4.9958 -4.8813 -4.8813 -4.8111 -4.8111 -4.5339 -4.5339 -4.2600 -4.2600 -4.1132 -4.1132 -3.7117 -3.7117 -3.4931 -3.4931 -2.9280 -2.9280 -2.4690 -2.4690 -0.8274 -0.8274 -0.5776 -0.5776 -0.2826 -0.2826 -0.2115 -0.2115 -0.0737 -0.0737 0.0099 0.0099 0.0493 0.0493 0.0595 0.0595 0.1568 0.1568 0.1814 0.1814 0.3156 0.3156 0.5137 0.5137 0.5762 0.5762 0.6612 0.6612 0.6994 0.6994 0.9943 0.9943 6.2466 6.2466 6.4077 6.4077 6.6093 6.6093 6.6676 6.6676 6.8352 6.8352 7.1893 7.1893 8.0449 8.0449 8.5250 8.5250 k = 0.0000 0.0000 0.1512 ( 9673 PWs) bands (ev): -16.0496 -16.0496 -15.9151 -15.9151 -14.4550 -14.4550 -14.4027 -14.4027 -13.2271 -13.2271 -13.1477 -13.1477 -12.6766 -12.6766 -12.6524 -12.6524 -10.1614 -10.1614 -10.0844 -10.0844 -8.5450 -8.5450 -8.3052 -8.3052 -4.9980 -4.9980 -4.8866 -4.8866 -4.8020 -4.8020 -4.5364 -4.5364 -4.2574 -4.2574 -4.1166 -4.1166 -3.7063 -3.7063 -3.4955 -3.4955 -2.9185 -2.9185 -2.4770 -2.4770 -0.8244 -0.8244 -0.5954 -0.5954 -0.2825 -0.2825 -0.1897 -0.1897 -0.0816 -0.0816 0.0087 0.0087 0.0467 0.0467 0.0643 0.0643 0.1600 0.1600 0.1751 0.1751 0.3073 0.3073 0.5101 0.5101 0.5712 0.5712 0.6723 0.6723 0.7038 0.7038 0.9877 0.9877 6.2494 6.2494 6.4077 6.4077 6.6114 6.6114 6.6722 6.6722 6.8287 6.8287 7.1816 7.1816 8.0567 8.0567 8.5534 8.5534 k = 0.0000 0.0000 0.1701 ( 9675 PWs) bands (ev): -16.0467 -16.0467 -15.9181 -15.9181 -14.4538 -14.4538 -14.4039 -14.4039 -13.2255 -13.2255 -13.1496 -13.1496 -12.6758 -12.6758 -12.6528 -12.6528 -10.1602 -10.1602 -10.0867 -10.0867 -8.5388 -8.5388 -8.3096 -8.3096 -4.9999 -4.9999 -4.8923 -4.8923 -4.7922 -4.7922 -4.5394 -4.5394 -4.2546 -4.2546 -4.1204 -4.1204 -3.7003 -3.7003 -3.4984 -3.4984 -2.9080 -2.9080 -2.4860 -2.4860 -0.8210 -0.8210 -0.6123 -0.6123 -0.2827 -0.2827 -0.1687 -0.1687 -0.0909 -0.0909 0.0077 0.0077 0.0423 0.0423 0.0721 0.0721 0.1574 0.1574 0.1748 0.1748 0.2987 0.2987 0.5075 0.5075 0.5652 0.5652 0.6811 0.6811 0.7096 0.7096 0.9808 0.9808 6.2526 6.2526 6.4073 6.4073 6.6137 6.6137 6.6775 6.6775 6.8221 6.8221 7.1727 7.1727 8.0697 8.0697 8.5794 8.5794 k = 0.0000 0.0000 0.1890 ( 9682 PWs) bands (ev): -16.0435 -16.0435 -15.9215 -15.9215 -14.4526 -14.4526 -14.4051 -14.4051 -13.2238 -13.2238 -13.1517 -13.1517 -12.6750 -12.6750 -12.6532 -12.6532 -10.1589 -10.1589 -10.0892 -10.0892 -8.5321 -8.5321 -8.3146 -8.3146 -5.0015 -5.0015 -4.8983 -4.8983 -4.7819 -4.7819 -4.5429 -4.5429 -4.2515 -4.2515 -4.1244 -4.1244 -3.6937 -3.6937 -3.5017 -3.5017 -2.8964 -2.8964 -2.4960 -2.4960 -0.8172 -0.8172 -0.6282 -0.6282 -0.2830 -0.2830 -0.1489 -0.1489 -0.1012 -0.1012 0.0068 0.0068 0.0377 0.0377 0.0813 0.0813 0.1501 0.1501 0.1799 0.1799 0.2899 0.2899 0.5059 0.5059 0.5585 0.5585 0.6860 0.6860 0.7183 0.7183 0.9737 0.9737 6.2564 6.2564 6.4065 6.4065 6.6163 6.6163 6.6834 6.6834 6.8156 6.8156 7.1623 7.1623 8.0840 8.0840 8.5914 8.5914 k = 0.0000 0.0000 0.2080 ( 9687 PWs) bands (ev): -16.0401 -16.0401 -15.9251 -15.9251 -14.4512 -14.4512 -14.4065 -14.4065 -13.2218 -13.2218 -13.1540 -13.1540 -12.6742 -12.6742 -12.6536 -12.6536 -10.1574 -10.1574 -10.0919 -10.0919 -8.5248 -8.5248 -8.3199 -8.3199 -5.0028 -5.0028 -4.9047 -4.9047 -4.7711 -4.7711 -4.5469 -4.5469 -4.2481 -4.2481 -4.1288 -4.1288 -3.6866 -3.6866 -3.5054 -3.5054 -2.8839 -2.8839 -2.5069 -2.5069 -0.8132 -0.8132 -0.6431 -0.6431 -0.2835 -0.2835 -0.1311 -0.1311 -0.1120 -0.1120 0.0062 0.0062 0.0333 0.0333 0.0913 0.0913 0.1418 0.1418 0.1871 0.1871 0.2810 0.2810 0.5053 0.5053 0.5509 0.5509 0.6870 0.6870 0.7294 0.7294 0.9664 0.9664 6.2606 6.2606 6.4051 6.4051 6.6191 6.6191 6.6897 6.6897 6.8097 6.8097 7.1506 7.1506 8.0993 8.0993 8.5855 8.5855 k = 0.0000 0.0000 0.2269 ( 9691 PWs) bands (ev): -16.0364 -16.0364 -15.9290 -15.9290 -14.4497 -14.4497 -14.4080 -14.4080 -13.2197 -13.2197 -13.1564 -13.1564 -12.6733 -12.6733 -12.6541 -12.6541 -10.1558 -10.1558 -10.0947 -10.0947 -8.5170 -8.5170 -8.3258 -8.3258 -5.0037 -5.0037 -4.9114 -4.9114 -4.7600 -4.7600 -4.5514 -4.5514 -4.2445 -4.2445 -4.1334 -4.1334 -3.6791 -3.6791 -3.5095 -3.5095 -2.8706 -2.8706 -2.5186 -2.5186 -0.8089 -0.8089 -0.6569 -0.6569 -0.2840 -0.2840 -0.1280 -0.1280 -0.1105 -0.1105 0.0058 0.0058 0.0291 0.0291 0.1013 0.1013 0.1338 0.1338 0.1958 0.1958 0.2723 0.2723 0.5058 0.5058 0.5424 0.5424 0.6850 0.6850 0.7420 0.7420 0.9591 0.9591 6.2653 6.2653 6.4030 6.4030 6.6223 6.6223 6.6961 6.6961 6.8048 6.8048 7.1375 7.1375 8.1157 8.1157 8.5716 8.5716 k = 0.0000 0.0000 0.2458 ( 9707 PWs) bands (ev): -16.0325 -16.0325 -15.9331 -15.9331 -14.4482 -14.4482 -14.4096 -14.4096 -13.2175 -13.2175 -13.1590 -13.1590 -12.6723 -12.6723 -12.6547 -12.6547 -10.1541 -10.1541 -10.0977 -10.0977 -8.5088 -8.5088 -8.3321 -8.3321 -5.0041 -5.0041 -4.9182 -4.9182 -4.7487 -4.7487 -4.5564 -4.5564 -4.2406 -4.2406 -4.1382 -4.1382 -3.6712 -3.6712 -3.5141 -3.5141 -2.8564 -2.8564 -2.5312 -2.5312 -0.8044 -0.8044 -0.6696 -0.6696 -0.2845 -0.2845 -0.1403 -0.1403 -0.0956 -0.0956 0.0056 0.0056 0.0253 0.0253 0.1092 0.1092 0.1279 0.1279 0.2060 0.2060 0.2638 0.2638 0.5071 0.5071 0.5332 0.5332 0.6807 0.6807 0.7550 0.7550 0.9519 0.9519 6.2705 6.2705 6.4003 6.4003 6.6257 6.6257 6.7019 6.7019 6.8018 6.8018 7.1231 7.1231 8.1330 8.1330 8.5546 8.5546 k = 0.0000 0.0000 0.2647 ( 9704 PWs) bands (ev): -16.0283 -16.0283 -15.9375 -15.9375 -14.4465 -14.4465 -14.4112 -14.4112 -13.2151 -13.2151 -13.1617 -13.1617 -12.6714 -12.6714 -12.6552 -12.6552 -10.1522 -10.1522 -10.1007 -10.1007 -8.5003 -8.5003 -8.3388 -8.3388 -5.0040 -5.0040 -4.9250 -4.9250 -4.7372 -4.7372 -4.5620 -4.5620 -4.2365 -4.2365 -4.1432 -4.1432 -3.6629 -3.6629 -3.5191 -3.5191 -2.8416 -2.8416 -2.5446 -2.5446 -0.7996 -0.7996 -0.6813 -0.6813 -0.2848 -0.2848 -0.1539 -0.1539 -0.0813 -0.0813 0.0055 0.0055 0.0219 0.0219 0.1086 0.1086 0.1302 0.1302 0.2180 0.2180 0.2557 0.2557 0.5088 0.5088 0.5239 0.5239 0.6746 0.6746 0.7682 0.7682 0.9447 0.9447 6.2761 6.2761 6.3969 6.3969 6.6294 6.6294 6.7064 6.7064 6.8015 6.8015 7.1074 7.1074 8.1511 8.1511 8.5358 8.5358 k = 0.0000 0.0000 0.2836 ( 9703 PWs) bands (ev): -16.0239 -16.0239 -15.9421 -15.9421 -14.4448 -14.4448 -14.4130 -14.4130 -13.2126 -13.2126 -13.1645 -13.1645 -12.6704 -12.6704 -12.6559 -12.6559 -10.1502 -10.1502 -10.1039 -10.1039 -8.4914 -8.4914 -8.3460 -8.3460 -5.0035 -5.0035 -4.9319 -4.9319 -4.7256 -4.7256 -4.5681 -4.5681 -4.2322 -4.2322 -4.1484 -4.1484 -3.6543 -3.6543 -3.5245 -3.5245 -2.8261 -2.8261 -2.5586 -2.5586 -0.7947 -0.7947 -0.6920 -0.6920 -0.2848 -0.2848 -0.1679 -0.1679 -0.0680 -0.0680 0.0057 0.0057 0.0190 0.0190 0.1016 0.1016 0.1381 0.1381 0.2311 0.2311 0.2487 0.2487 0.5066 0.5066 0.5183 0.5183 0.6669 0.6669 0.7814 0.7814 0.9375 0.9375 6.2822 6.2822 6.3928 6.3928 6.6333 6.6333 6.7088 6.7088 6.8047 6.8047 7.0905 7.0905 8.1699 8.1699 8.5159 8.5159 k = 0.0000 0.0000 0.3025 ( 9707 PWs) bands (ev): -16.0193 -16.0193 -15.9469 -15.9469 -14.4429 -14.4429 -14.4148 -14.4148 -13.2100 -13.2100 -13.1674 -13.1674 -12.6694 -12.6694 -12.6565 -12.6565 -10.1480 -10.1480 -10.1071 -10.1071 -8.4822 -8.4822 -8.3535 -8.3535 -5.0024 -5.0024 -4.9387 -4.9387 -4.7139 -4.7139 -4.5748 -4.5748 -4.2277 -4.2277 -4.1537 -4.1537 -3.6455 -3.6455 -3.5304 -3.5304 -2.8101 -2.8101 -2.5734 -2.5734 -0.7897 -0.7897 -0.7017 -0.7017 -0.2845 -0.2845 -0.1818 -0.1818 -0.0559 -0.0559 0.0059 0.0059 0.0165 0.0165 0.0932 0.0932 0.1466 0.1466 0.2368 0.2368 0.2513 0.2513 0.4966 0.4966 0.5208 0.5208 0.6578 0.6578 0.7943 0.7943 0.9303 0.9303 6.2887 6.2887 6.3881 6.3881 6.6376 6.6376 6.7087 6.7087 6.8118 6.8118 7.0725 7.0725 8.1895 8.1895 8.4951 8.4951 k = 0.0000 0.0000 0.3214 ( 9707 PWs) bands (ev): -16.0145 -16.0145 -15.9518 -15.9518 -14.4411 -14.4411 -14.4167 -14.4167 -13.2073 -13.2073 -13.1704 -13.1704 -12.6683 -12.6683 -12.6573 -12.6573 -10.1457 -10.1457 -10.1103 -10.1103 -8.4728 -8.4728 -8.3614 -8.3614 -5.0008 -5.0008 -4.9455 -4.9455 -4.7022 -4.7022 -4.5820 -4.5820 -4.2230 -4.2230 -4.1591 -4.1591 -3.6366 -3.6366 -3.5367 -3.5367 -2.7936 -2.7936 -2.5887 -2.5887 -0.7845 -0.7845 -0.7106 -0.7106 -0.2836 -0.2836 -0.1954 -0.1954 -0.0447 -0.0447 0.0062 0.0062 0.0146 0.0146 0.0844 0.0844 0.1546 0.1546 0.2310 0.2310 0.2674 0.2674 0.4838 0.4838 0.5261 0.5261 0.6477 0.6477 0.8069 0.8069 0.9230 0.9230 6.2955 6.2955 6.3827 6.3827 6.6421 6.6421 6.7064 6.7064 6.8224 6.8224 7.0535 7.0535 8.2096 8.2096 8.4738 8.4738 k = 0.0000 0.0000 0.3403 ( 9709 PWs) bands (ev): -16.0096 -16.0096 -15.9569 -15.9569 -14.4391 -14.4391 -14.4186 -14.4186 -13.2044 -13.2044 -13.1735 -13.1735 -12.6673 -12.6673 -12.6580 -12.6580 -10.1433 -10.1433 -10.1136 -10.1136 -8.4633 -8.4633 -8.3697 -8.3697 -4.9987 -4.9987 -4.9520 -4.9520 -4.6907 -4.6907 -4.5897 -4.5897 -4.2182 -4.2182 -4.1646 -4.1646 -3.6275 -3.6275 -3.5435 -3.5435 -2.7767 -2.7767 -2.6046 -2.6046 -0.7792 -0.7792 -0.7187 -0.7187 -0.2820 -0.2820 -0.2085 -0.2085 -0.0345 -0.0345 0.0063 0.0063 0.0136 0.0136 0.0754 0.0754 0.1620 0.1620 0.2244 0.2244 0.2859 0.2859 0.4697 0.4697 0.5326 0.5326 0.6368 0.6368 0.8191 0.8191 0.9156 0.9156 6.3027 6.3027 6.3767 6.3767 6.6468 6.6468 6.7025 6.7025 6.8361 6.8361 7.0338 7.0338 8.2303 8.2303 8.4519 8.4519 k = 0.0000 0.0000 0.3592 ( 9702 PWs) bands (ev): -16.0045 -16.0045 -15.9620 -15.9620 -14.4371 -14.4371 -14.4206 -14.4206 -13.2015 -13.2015 -13.1766 -13.1766 -12.6663 -12.6663 -12.6588 -12.6588 -10.1408 -10.1408 -10.1168 -10.1168 -8.4536 -8.4536 -8.3782 -8.3782 -4.9960 -4.9960 -4.9584 -4.9584 -4.6792 -4.6792 -4.5980 -4.5980 -4.2132 -4.2132 -4.1701 -4.1701 -3.6184 -3.6184 -3.5506 -3.5506 -2.7596 -2.7596 -2.6209 -2.6209 -0.7739 -0.7739 -0.7262 -0.7262 -0.2797 -0.2797 -0.2208 -0.2208 -0.0253 -0.0253 0.0058 0.0058 0.0140 0.0140 0.0664 0.0664 0.1688 0.1688 0.2178 0.2178 0.3054 0.3054 0.4545 0.4545 0.5401 0.5401 0.6253 0.6253 0.8309 0.8309 0.9079 0.9079 6.3101 6.3101 6.3703 6.3703 6.6519 6.6519 6.6975 6.6975 6.8520 6.8520 7.0134 7.0134 8.2515 8.2515 8.4297 8.4297 k = 0.0000 0.0000 0.3781 ( 9713 PWs) bands (ev): -15.9993 -15.9993 -15.9673 -15.9673 -14.4351 -14.4351 -14.4227 -14.4227 -13.1985 -13.1985 -13.1797 -13.1797 -12.6653 -12.6653 -12.6596 -12.6596 -10.1381 -10.1381 -10.1200 -10.1200 -8.4439 -8.4439 -8.3871 -8.3871 -4.9929 -4.9929 -4.9644 -4.9644 -4.6679 -4.6679 -4.6067 -4.6067 -4.2081 -4.2081 -4.1756 -4.1756 -3.6093 -3.6093 -3.5582 -3.5582 -2.7422 -2.7422 -2.6376 -2.6376 -0.7685 -0.7685 -0.7332 -0.7332 -0.2763 -0.2763 -0.2322 -0.2322 -0.0172 -0.0172 0.0046 0.0046 0.0161 0.0161 0.0574 0.0574 0.1752 0.1752 0.2114 0.2114 0.3253 0.3253 0.4383 0.4383 0.5486 0.5486 0.6135 0.6135 0.8423 0.8423 0.8999 0.8999 6.3177 6.3177 6.3634 6.3634 6.6571 6.6571 6.6919 6.6919 6.8697 6.8697 6.9925 6.9925 8.2731 8.2731 8.4072 8.4072 k = 0.0000 0.0000 0.3970 ( 9719 PWs) bands (ev): -15.9941 -15.9941 -15.9726 -15.9726 -14.4330 -14.4330 -14.4247 -14.4247 -13.1955 -13.1955 -13.1829 -13.1829 -12.6643 -12.6643 -12.6605 -12.6605 -10.1353 -10.1353 -10.1232 -10.1232 -8.4342 -8.4342 -8.3961 -8.3961 -4.9893 -4.9893 -4.9702 -4.9702 -4.6569 -4.6569 -4.6159 -4.6159 -4.2029 -4.2029 -4.1812 -4.1812 -3.6003 -3.6003 -3.5660 -3.5660 -2.7246 -2.7246 -2.6547 -2.6547 -0.7630 -0.7630 -0.7397 -0.7397 -0.2720 -0.2720 -0.2425 -0.2425 -0.0106 -0.0106 0.0029 0.0029 0.0199 0.0199 0.0486 0.0486 0.1813 0.1813 0.2053 0.2053 0.3453 0.3453 0.4212 0.4212 0.5580 0.5580 0.6017 0.6017 0.8531 0.8531 0.8915 0.8915 6.3254 6.3254 6.3562 6.3562 6.6626 6.6626 6.6861 6.6861 6.8886 6.8886 6.9714 6.9714 8.2950 8.2950 8.3847 8.3847 k = 0.0000 0.0000 0.4159 ( 9708 PWs) bands (ev): -15.9887 -15.9887 -15.9780 -15.9780 -14.4310 -14.4310 -14.4268 -14.4268 -13.1923 -13.1923 -13.1860 -13.1860 -12.6633 -12.6633 -12.6614 -12.6614 -10.1324 -10.1324 -10.1264 -10.1264 -8.4245 -8.4245 -8.4054 -8.4054 -4.9851 -4.9851 -4.9756 -4.9756 -4.6461 -4.6461 -4.6256 -4.6256 -4.1976 -4.1976 -4.1867 -4.1867 -3.5914 -3.5914 -3.5742 -3.5742 -2.7070 -2.7070 -2.6720 -2.6720 -0.7574 -0.7574 -0.7458 -0.7458 -0.2664 -0.2664 -0.2517 -0.2517 -0.0056 -0.0056 0.0008 0.0008 0.0253 0.0253 0.0401 0.0401 0.1873 0.1873 0.1992 0.1992 0.3651 0.3651 0.4032 0.4032 0.5681 0.5681 0.5901 0.5901 0.8635 0.8635 0.8826 0.8826 6.3332 6.3332 6.3487 6.3487 6.6683 6.6683 6.6801 6.6801 6.9086 6.9086 6.9502 6.9502 8.3172 8.3172 8.3621 8.3621 k = 0.0000 0.0000 0.4348 ( 9706 PWs) bands (ev): -15.9834 -15.9834 -15.9833 -15.9833 -14.4289 -14.4289 -14.4288 -14.4288 -13.1892 -13.1892 -13.1892 -13.1892 -12.6624 -12.6624 -12.6623 -12.6623 -10.1295 -10.1295 -10.1294 -10.1294 -8.4149 -8.4149 -8.4149 -8.4149 -4.9806 -4.9806 -4.9805 -4.9805 -4.6357 -4.6357 -4.6356 -4.6356 -4.1922 -4.1922 -4.1921 -4.1921 -3.5827 -3.5827 -3.5827 -3.5827 -2.6895 -2.6895 -2.6894 -2.6894 -0.7517 -0.7517 -0.7517 -0.7517 -0.2597 -0.2597 -0.2597 -0.2597 -0.0019 -0.0019 -0.0019 -0.0019 0.0322 0.0322 0.0322 0.0322 0.1933 0.1933 0.1933 0.1933 0.3845 0.3845 0.3845 0.3845 0.5788 0.5788 0.5788 0.5788 0.8733 0.8733 0.8733 0.8733 6.3409 6.3409 6.3410 6.3410 6.6741 6.6741 6.6742 6.6742 6.9292 6.9292 6.9292 6.9292 8.3395 8.3395 8.3396 8.3396 k = 0.0000 0.0000 0.4348 ( 9706 PWs) bands (ev): -15.9834 -15.9834 -15.9833 -15.9833 -14.4289 -14.4289 -14.4288 -14.4288 -13.1892 -13.1892 -13.1892 -13.1892 -12.6624 -12.6624 -12.6623 -12.6623 -10.1295 -10.1295 -10.1294 -10.1294 -8.4149 -8.4149 -8.4149 -8.4149 -4.9806 -4.9806 -4.9805 -4.9805 -4.6357 -4.6357 -4.6356 -4.6356 -4.1922 -4.1922 -4.1921 -4.1921 -3.5827 -3.5827 -3.5827 -3.5827 -2.6895 -2.6895 -2.6894 -2.6894 -0.7517 -0.7517 -0.7517 -0.7517 -0.2597 -0.2597 -0.2597 -0.2597 -0.0019 -0.0019 -0.0019 -0.0019 0.0322 0.0322 0.0322 0.0322 0.1933 0.1933 0.1933 0.1933 0.3845 0.3845 0.3845 0.3845 0.5788 0.5788 0.5788 0.5788 0.8733 0.8733 0.8733 0.8733 6.3409 6.3409 6.3410 6.3410 6.6741 6.6741 6.6742 6.6742 6.9292 6.9292 6.9292 6.9292 8.3395 8.3395 8.3396 8.3396 k = 0.0000 0.0190 0.4348 ( 9709 PWs) bands (ev): -15.9835 -15.9835 -15.9830 -15.9830 -14.4335 -14.4335 -14.4247 -14.4247 -13.1905 -13.1905 -13.1877 -13.1877 -12.6657 -12.6657 -12.6593 -12.6593 -10.1377 -10.1377 -10.1207 -10.1207 -8.4174 -8.4174 -8.4124 -8.4124 -4.9878 -4.9878 -4.9736 -4.9736 -4.6414 -4.6414 -4.6297 -4.6297 -4.2035 -4.2035 -4.1801 -4.1801 -3.5897 -3.5897 -3.5756 -3.5756 -2.6990 -2.6990 -2.6801 -2.6801 -0.7736 -0.7736 -0.7291 -0.7291 -0.2681 -0.2681 -0.2522 -0.2522 -0.0062 -0.0062 -0.0004 -0.0004 0.0245 0.0245 0.0410 0.0410 0.1869 0.1869 0.1965 0.1965 0.3663 0.3663 0.4061 0.4061 0.5667 0.5667 0.5920 0.5920 0.8552 0.8552 0.8909 0.8909 6.3322 6.3322 6.3505 6.3505 6.6607 6.6607 6.6862 6.6862 6.9127 6.9127 6.9461 6.9461 8.3176 8.3176 8.3621 8.3621 k = 0.0000 0.0381 0.4348 ( 9705 PWs) bands (ev): -15.9835 -15.9835 -15.9823 -15.9823 -14.4386 -14.4386 -14.4211 -14.4211 -13.1915 -13.1915 -13.1860 -13.1860 -12.6694 -12.6694 -12.6565 -12.6565 -10.1454 -10.1454 -10.1115 -10.1115 -8.4198 -8.4198 -8.4101 -8.4101 -4.9953 -4.9953 -4.9672 -4.9672 -4.6467 -4.6467 -4.6234 -4.6234 -4.2140 -4.2140 -4.1674 -4.1674 -3.5965 -3.5965 -3.5683 -3.5683 -2.7087 -2.7087 -2.6712 -2.6712 -0.7945 -0.7945 -0.7058 -0.7058 -0.2772 -0.2772 -0.2457 -0.2457 -0.0134 -0.0134 -0.0015 -0.0015 0.0182 0.0182 0.0502 0.0502 0.1775 0.1775 0.1968 0.1968 0.3521 0.3521 0.4302 0.4302 0.5560 0.5560 0.6059 0.6059 0.8366 0.8366 0.9077 0.9077 6.3241 6.3241 6.3609 6.3609 6.6462 6.6462 6.6962 6.6962 6.8972 6.8972 6.9631 6.9631 8.2964 8.2964 8.3849 8.3849 k = 0.0000 0.0571 0.4348 ( 9708 PWs) bands (ev): -15.9831 -15.9831 -15.9815 -15.9815 -14.4440 -14.4440 -14.4179 -14.4179 -13.1922 -13.1922 -13.1841 -13.1841 -12.6734 -12.6734 -12.6541 -12.6541 -10.1525 -10.1525 -10.1020 -10.1020 -8.4223 -8.4223 -8.4078 -8.4078 -5.0029 -5.0029 -4.9612 -4.9612 -4.6515 -4.6515 -4.6169 -4.6169 -4.2236 -4.2236 -4.1542 -4.1542 -3.6032 -3.6032 -3.5610 -3.5610 -2.7184 -2.7184 -2.6626 -2.6626 -0.8144 -0.8144 -0.6821 -0.6821 -0.2867 -0.2867 -0.2407 -0.2407 -0.0232 -0.0232 -0.0051 -0.0051 0.0131 0.0131 0.0591 0.0591 0.1660 0.1660 0.1948 0.1948 0.3419 0.3419 0.4559 0.4559 0.5472 0.5472 0.6204 0.6204 0.8176 0.8176 0.9239 0.9239 6.3166 6.3166 6.3720 6.3720 6.6312 6.6312 6.7036 6.7036 6.8833 6.8833 6.9797 6.9797 8.2763 8.2763 8.4075 8.4075 k = 0.0000 0.0762 0.4348 ( 9708 PWs) bands (ev): -15.9825 -15.9825 -15.9805 -15.9805 -14.4498 -14.4498 -14.4153 -14.4153 -13.1928 -13.1928 -13.1821 -13.1821 -12.6775 -12.6775 -12.6521 -12.6521 -10.1589 -10.1589 -10.0922 -10.0922 -8.4246 -8.4246 -8.4056 -8.4056 -5.0106 -5.0106 -4.9559 -4.9559 -4.6558 -4.6558 -4.6103 -4.6103 -4.2323 -4.2323 -4.1406 -4.1406 -3.6095 -3.6095 -3.5537 -3.5537 -2.7281 -2.7281 -2.6545 -2.6545 -0.8332 -0.8332 -0.6581 -0.6581 -0.2966 -0.2966 -0.2372 -0.2372 -0.0353 -0.0353 -0.0107 -0.0107 0.0087 0.0087 0.0671 0.0671 0.1539 0.1539 0.1911 0.1911 0.3350 0.3350 0.4815 0.4815 0.5410 0.5410 0.6351 0.6351 0.7983 0.7983 0.9391 0.9391 6.3097 6.3097 6.3841 6.3841 6.6157 6.6157 6.7075 6.7075 6.8719 6.8719 6.9957 6.9957 8.2575 8.2575 8.4298 8.4298 k = 0.0000 0.0952 0.4348 ( 9703 PWs) bands (ev): -15.9816 -15.9816 -15.9793 -15.9793 -14.4558 -14.4558 -14.4132 -14.4132 -13.1931 -13.1931 -13.1798 -13.1798 -12.6819 -12.6819 -12.6504 -12.6504 -10.1645 -10.1645 -10.0824 -10.0824 -8.4267 -8.4267 -8.4037 -8.4037 -5.0181 -5.0181 -4.9514 -4.9514 -4.6595 -4.6595 -4.6035 -4.6035 -4.2401 -4.2401 -4.1267 -4.1267 -3.6157 -3.6157 -3.5465 -3.5465 -2.7377 -2.7377 -2.6470 -2.6470 -0.8507 -0.8507 -0.6341 -0.6341 -0.3067 -0.3067 -0.2357 -0.2357 -0.0500 -0.0500 -0.0172 -0.0172 0.0044 0.0044 0.0737 0.0737 0.1428 0.1428 0.1864 0.1864 0.3307 0.3307 0.5040 0.5040 0.5403 0.5403 0.6500 0.6500 0.7789 0.7789 0.9535 0.9535 6.3035 6.3035 6.3969 6.3969 6.6001 6.6001 6.7071 6.7071 6.8636 6.8636 7.0109 7.0109 8.2404 8.2404 8.4513 8.4513 k = 0.0000 0.1143 0.4348 ( 9693 PWs) bands (ev): -15.9805 -15.9805 -15.9779 -15.9779 -14.4621 -14.4621 -14.4117 -14.4117 -13.1931 -13.1931 -13.1774 -13.1774 -12.6864 -12.6864 -12.6491 -12.6491 -10.1694 -10.1694 -10.0725 -10.0725 -8.4287 -8.4287 -8.4019 -8.4019 -5.0255 -5.0255 -4.9477 -4.9477 -4.6625 -4.6625 -4.5967 -4.5967 -4.2469 -4.2469 -4.1127 -4.1127 -3.6215 -3.6215 -3.5393 -3.5393 -2.7470 -2.7470 -2.6401 -2.6401 -0.8669 -0.8669 -0.6102 -0.6102 -0.3169 -0.3169 -0.2363 -0.2363 -0.0679 -0.0679 -0.0236 -0.0236 -0.0001 -0.0001 0.0780 0.0780 0.1338 0.1338 0.1815 0.1815 0.3282 0.3282 0.5155 0.5155 0.5527 0.5527 0.6647 0.6647 0.7594 0.7594 0.9667 0.9667 6.2977 6.2977 6.4107 6.4107 6.5845 6.5845 6.7023 6.7023 6.8586 6.8586 7.0250 7.0250 8.2251 8.2251 8.4718 8.4718 k = 0.0000 0.1333 0.4348 ( 9684 PWs) bands (ev): -15.9791 -15.9791 -15.9765 -15.9765 -14.4686 -14.4686 -14.4107 -14.4107 -13.1929 -13.1929 -13.1750 -13.1750 -12.6910 -12.6910 -12.6482 -12.6482 -10.1734 -10.1734 -10.0627 -10.0627 -8.4304 -8.4304 -8.4004 -8.4004 -5.0327 -5.0327 -4.9448 -4.9448 -4.6648 -4.6648 -4.5899 -4.5899 -4.2527 -4.2527 -4.0988 -4.0988 -3.6271 -3.6271 -3.5323 -3.5323 -2.7558 -2.7558 -2.6338 -2.6338 -0.8816 -0.8816 -0.5868 -0.5868 -0.3271 -0.3271 -0.2391 -0.2391 -0.0890 -0.0890 -0.0291 -0.0291 -0.0047 -0.0047 0.0794 0.0794 0.1275 0.1275 0.1774 0.1774 0.3270 0.3270 0.5182 0.5182 0.5755 0.5755 0.6788 0.6788 0.7404 0.7404 0.9789 0.9789 6.2925 6.2925 6.4253 6.4253 6.5691 6.5691 6.6933 6.6933 6.8566 6.8566 7.0379 7.0379 8.2117 8.2117 8.4910 8.4910 k = 0.0000 0.1524 0.4348 ( 9680 PWs) bands (ev): -15.9775 -15.9775 -15.9750 -15.9750 -14.4752 -14.4752 -14.4103 -14.4103 -13.1924 -13.1924 -13.1724 -13.1724 -12.6957 -12.6957 -12.6477 -12.6477 -10.1766 -10.1766 -10.0531 -10.0531 -8.4319 -8.4319 -8.3992 -8.3992 -5.0395 -5.0395 -4.9429 -4.9429 -4.6663 -4.6663 -4.5831 -4.5831 -4.2576 -4.2576 -4.0852 -4.0852 -3.6323 -3.6323 -3.5255 -3.5255 -2.7641 -2.7641 -2.6283 -2.6283 -0.8949 -0.8949 -0.5640 -0.5640 -0.3373 -0.3373 -0.2442 -0.2442 -0.1130 -0.1130 -0.0332 -0.0332 -0.0092 -0.0092 0.0773 0.0773 0.1237 0.1237 0.1748 0.1748 0.3264 0.3264 0.5198 0.5198 0.6007 0.6007 0.6907 0.6907 0.7234 0.7234 0.9899 0.9899 6.2877 6.2877 6.4407 6.4407 6.5540 6.5540 6.6811 6.6811 6.8566 6.8566 7.0495 7.0495 8.2006 8.2006 8.5086 8.5086 k = 0.0000 0.1714 0.4348 ( 9679 PWs) bands (ev): -15.9756 -15.9756 -15.9734 -15.9734 -14.4818 -14.4818 -14.4103 -14.4103 -13.1917 -13.1917 -13.1698 -13.1698 -12.7004 -12.7004 -12.6475 -12.6475 -10.1790 -10.1790 -10.0438 -10.0438 -8.4331 -8.4331 -8.3983 -8.3983 -5.0459 -5.0459 -4.9420 -4.9420 -4.6670 -4.6670 -4.5763 -4.5763 -4.2615 -4.2615 -4.0720 -4.0720 -3.6372 -3.6372 -3.5189 -3.5189 -2.7717 -2.7717 -2.6235 -2.6235 -0.9066 -0.9066 -0.5423 -0.5423 -0.3474 -0.3474 -0.2514 -0.2514 -0.1391 -0.1391 -0.0360 -0.0360 -0.0133 -0.0133 0.0718 0.0718 0.1218 0.1218 0.1741 0.1741 0.3264 0.3264 0.5227 0.5227 0.6257 0.6257 0.6912 0.6912 0.7180 0.7180 0.9996 0.9996 6.2835 6.2835 6.4567 6.4567 6.5394 6.5394 6.6664 6.6664 6.8579 6.8579 7.0596 7.0596 8.1918 8.1918 8.5243 8.5243 k = 0.0000 0.1905 0.4348 ( 9681 PWs) bands (ev): -15.9735 -15.9735 -15.9718 -15.9718 -14.4883 -14.4883 -14.4109 -14.4109 -13.1908 -13.1908 -13.1672 -13.1672 -12.7050 -12.7050 -12.6477 -12.6477 -10.1805 -10.1805 -10.0349 -10.0349 -8.4340 -8.4340 -8.3977 -8.3977 -5.0519 -5.0519 -4.9421 -4.9421 -4.6669 -4.6669 -4.5696 -4.5696 -4.2644 -4.2644 -4.0595 -4.0595 -3.6418 -3.6418 -3.5126 -3.5126 -2.7785 -2.7785 -2.6196 -2.6196 -0.9167 -0.9167 -0.5219 -0.5219 -0.3574 -0.3574 -0.2605 -0.2605 -0.1664 -0.1664 -0.0376 -0.0376 -0.0167 -0.0167 0.0635 0.0635 0.1212 0.1212 0.1753 0.1753 0.3266 0.3266 0.5271 0.5271 0.6477 0.6477 0.6786 0.6786 0.7275 0.7275 1.0080 1.0080 6.2797 6.2797 6.4734 6.4734 6.5255 6.5255 6.6502 6.6502 6.8595 6.8595 7.0682 7.0682 8.1854 8.1854 8.5379 8.5379 k = 0.0000 0.2095 0.4348 ( 9677 PWs) bands (ev): -15.9711 -15.9711 -15.9703 -15.9703 -14.4948 -14.4948 -14.4119 -14.4119 -13.1896 -13.1896 -13.1646 -13.1646 -12.7095 -12.7095 -12.6483 -12.6483 -10.1812 -10.1812 -10.0266 -10.0266 -8.4344 -8.4344 -8.3975 -8.3975 -5.0572 -5.0572 -4.9432 -4.9432 -4.6660 -4.6660 -4.5629 -4.5629 -4.2665 -4.2665 -4.0478 -4.0478 -3.6460 -3.6460 -3.5067 -3.5067 -2.7843 -2.7843 -2.6165 -2.6165 -0.9251 -0.9251 -0.5034 -0.5034 -0.3671 -0.3671 -0.2713 -0.2713 -0.1943 -0.1943 -0.0381 -0.0381 -0.0190 -0.0190 0.0528 0.0528 0.1217 0.1217 0.1779 0.1779 0.3270 0.3270 0.5332 0.5332 0.6499 0.6499 0.6818 0.6818 0.7398 0.7398 1.0151 1.0151 6.2764 6.2764 6.4901 6.4901 6.5124 6.5124 6.6332 6.6332 6.8609 6.8609 7.0751 7.0751 8.1815 8.1815 8.5493 8.5493 k = 0.0000 0.2285 0.4348 ( 9677 PWs) bands (ev): -15.9688 -15.9688 -15.9686 -15.9686 -14.5011 -14.5011 -14.4133 -14.4133 -13.1883 -13.1883 -13.1621 -13.1621 -12.7139 -12.7139 -12.6492 -12.6492 -10.1811 -10.1811 -10.0189 -10.0189 -8.4345 -8.4345 -8.3976 -8.3976 -5.0620 -5.0620 -4.9452 -4.9452 -4.6644 -4.6644 -4.5564 -4.5564 -4.2676 -4.2676 -4.0372 -4.0372 -3.6499 -3.6499 -3.5011 -3.5011 -2.7889 -2.7889 -2.6143 -2.6143 -0.9318 -0.9318 -0.4870 -0.4870 -0.3766 -0.3766 -0.2835 -0.2835 -0.2220 -0.2220 -0.0380 -0.0380 -0.0200 -0.0200 0.0406 0.0406 0.1231 0.1231 0.1814 0.1814 0.3274 0.3274 0.5408 0.5408 0.6337 0.6337 0.7020 0.7020 0.7522 0.7522 1.0207 1.0207 6.2737 6.2737 6.4985 6.4985 6.5083 6.5083 6.6161 6.6161 6.8619 6.8619 7.0805 7.0805 8.1801 8.1801 8.5583 8.5583 k = 0.0000 0.2476 0.4348 ( 9685 PWs) bands (ev): -15.9674 -15.9674 -15.9659 -15.9659 -14.5071 -14.5071 -14.4151 -14.4151 -13.1867 -13.1867 -13.1597 -13.1597 -12.7180 -12.7180 -12.6504 -12.6504 -10.1802 -10.1802 -10.0119 -10.0119 -8.4342 -8.4342 -8.3981 -8.3981 -5.0661 -5.0661 -4.9481 -4.9481 -4.6621 -4.6621 -4.5500 -4.5500 -4.2680 -4.2680 -4.0279 -4.0279 -3.6533 -3.6533 -3.4960 -3.4960 -2.7924 -2.7924 -2.6131 -2.6131 -0.9367 -0.9367 -0.4736 -0.4736 -0.3854 -0.3854 -0.2970 -0.2970 -0.2489 -0.2489 -0.0372 -0.0372 -0.0198 -0.0198 0.0276 0.0276 0.1254 0.1254 0.1852 0.1852 0.3277 0.3277 0.5497 0.5497 0.6155 0.6155 0.7230 0.7230 0.7642 0.7642 1.0249 1.0249 6.2715 6.2715 6.4877 6.4877 6.5234 6.5234 6.5999 6.5999 6.8624 6.8624 7.0841 7.0841 8.1812 8.1812 8.5649 8.5649 k = 0.0000 0.2666 0.4348 ( 9689 PWs) bands (ev): -15.9661 -15.9661 -15.9631 -15.9631 -14.5128 -14.5128 -14.4172 -14.4172 -13.1850 -13.1850 -13.1576 -13.1576 -12.7219 -12.7219 -12.6520 -12.6520 -10.1785 -10.1785 -10.0057 -10.0057 -8.4334 -8.4334 -8.3990 -8.3990 -5.0694 -5.0694 -4.9518 -4.9518 -4.6593 -4.6593 -4.5437 -4.5437 -4.2675 -4.2675 -4.0200 -4.0200 -3.6564 -3.6564 -3.4913 -3.4913 -2.7945 -2.7945 -2.6129 -2.6129 -0.9398 -0.9398 -0.4638 -0.4638 -0.3929 -0.3929 -0.3119 -0.3119 -0.2743 -0.2743 -0.0361 -0.0361 -0.0190 -0.0190 0.0154 0.0154 0.1285 0.1285 0.1892 0.1892 0.3278 0.3278 0.5593 0.5593 0.5977 0.5977 0.7429 0.7429 0.7759 0.7759 1.0277 1.0277 6.2698 6.2698 6.4773 6.4773 6.5355 6.5355 6.5871 6.5871 6.8625 6.8625 7.0862 7.0862 8.1848 8.1848 8.5689 8.5689 k = 0.0000 0.2857 0.4348 ( 9692 PWs) bands (ev): -15.9650 -15.9650 -15.9602 -15.9602 -14.5182 -14.5182 -14.4196 -14.4196 -13.1830 -13.1830 -13.1556 -13.1556 -12.7254 -12.7254 -12.6538 -12.6538 -10.1761 -10.1761 -10.0004 -10.0004 -8.4322 -8.4322 -8.4003 -8.4003 -5.0720 -5.0720 -4.9563 -4.9563 -4.6560 -4.6560 -4.5378 -4.5378 -4.2662 -4.2662 -4.0136 -4.0136 -3.6592 -3.6592 -3.4870 -3.4870 -2.7952 -2.7952 -2.6137 -2.6137 -0.9411 -0.9411 -0.4591 -0.4591 -0.3978 -0.3978 -0.3285 -0.3285 -0.2972 -0.2972 -0.0354 -0.0354 -0.0201 -0.0201 0.0075 0.0075 0.1323 0.1323 0.1931 0.1931 0.3276 0.3276 0.5658 0.5658 0.5843 0.5843 0.7610 0.7610 0.7875 0.7875 1.0290 1.0290 6.2688 6.2688 6.4679 6.4679 6.5373 6.5373 6.5841 6.5841 6.8624 6.8624 7.0866 7.0866 8.1907 8.1907 8.5704 8.5704 k = 0.0000 0.3047 0.4348 ( 9681 PWs) bands (ev): -15.9641 -15.9641 -15.9571 -15.9571 -14.5231 -14.5231 -14.4223 -14.4223 -13.1809 -13.1809 -13.1539 -13.1539 -12.7285 -12.7285 -12.6559 -12.6559 -10.1731 -10.1731 -9.9961 -9.9961 -8.4305 -8.4305 -8.4020 -8.4020 -5.0738 -5.0738 -4.9614 -4.9614 -4.6523 -4.6523 -4.5320 -4.5320 -4.2643 -4.2643 -4.0089 -4.0089 -3.6615 -3.6615 -3.4833 -3.4833 -2.7943 -2.7943 -2.6155 -2.6155 -0.9405 -0.9405 -0.4604 -0.4604 -0.3992 -0.3992 -0.3471 -0.3471 -0.3168 -0.3168 -0.0378 -0.0378 -0.0245 -0.0245 0.0082 0.0082 0.1368 0.1368 0.1968 0.1968 0.3272 0.3272 0.5559 0.5559 0.5886 0.5886 0.7766 0.7766 0.7995 0.7995 1.0290 1.0290 6.2683 6.2683 6.4599 6.4599 6.5273 6.5273 6.5921 6.5921 6.8626 6.8626 7.0854 7.0854 8.1990 8.1990 8.5693 8.5693 k = 0.0000 0.3238 0.4348 ( 9693 PWs) bands (ev): -15.9635 -15.9635 -15.9540 -15.9540 -14.5275 -14.5275 -14.4252 -14.4252 -13.1787 -13.1787 -13.1526 -13.1526 -12.7311 -12.7311 -12.6582 -12.6582 -10.1694 -10.1694 -9.9928 -9.9928 -8.4283 -8.4283 -8.4042 -8.4042 -5.0747 -5.0747 -4.9670 -4.9670 -4.6484 -4.6484 -4.5266 -4.5266 -4.2615 -4.2615 -4.0060 -4.0060 -3.6634 -3.6634 -3.4800 -3.4800 -2.7919 -2.7919 -2.6185 -2.6185 -0.9380 -0.9380 -0.4673 -0.4673 -0.3974 -0.3974 -0.3671 -0.3671 -0.3335 -0.3335 -0.0477 -0.0477 -0.0260 -0.0260 0.0153 0.0153 0.1418 0.1418 0.2004 0.2004 0.3262 0.3262 0.5395 0.5395 0.6006 0.6006 0.7890 0.7890 0.8125 0.8125 1.0276 1.0276 6.2684 6.2684 6.4532 6.4532 6.5123 6.5123 6.6035 6.6035 6.8638 6.8638 7.0827 7.0827 8.2093 8.2093 8.5659 8.5659 k = 0.0000 0.3428 0.4348 ( 9700 PWs) bands (ev): -15.9631 -15.9631 -15.9508 -15.9508 -14.5313 -14.5313 -14.4282 -14.4282 -13.1763 -13.1763 -13.1516 -13.1516 -12.7332 -12.7332 -12.6607 -12.6607 -10.1651 -10.1651 -9.9905 -9.9905 -8.4257 -8.4257 -8.4067 -8.4067 -5.0748 -5.0748 -4.9732 -4.9732 -4.6443 -4.6443 -4.5216 -4.5216 -4.2581 -4.2581 -4.0049 -4.0049 -3.6649 -3.6649 -3.4773 -3.4773 -2.7879 -2.7879 -2.6225 -2.6225 -0.9336 -0.9336 -0.4781 -0.4781 -0.3946 -0.3946 -0.3863 -0.3863 -0.3479 -0.3479 -0.0610 -0.0610 -0.0253 -0.0253 0.0257 0.0257 0.1475 0.1475 0.2037 0.2037 0.3248 0.3248 0.5229 0.5229 0.6140 0.6140 0.7984 0.7984 0.8262 0.8262 1.0249 1.0249 6.2691 6.2691 6.4481 6.4481 6.4960 6.4960 6.6141 6.6141 6.8667 6.8667 7.0785 7.0785 8.2216 8.2216 8.5600 8.5600 k = 0.0000 0.3619 0.4348 ( 9685 PWs) bands (ev): -15.9629 -15.9629 -15.9476 -15.9476 -14.5345 -14.5345 -14.4312 -14.4312 -13.1738 -13.1738 -13.1510 -13.1510 -12.7348 -12.7348 -12.6633 -12.6633 -10.1603 -10.1603 -9.9893 -9.9893 -8.4227 -8.4227 -8.4096 -8.4096 -5.0741 -5.0741 -4.9796 -4.9796 -4.6403 -4.6403 -4.5169 -4.5169 -4.2540 -4.2540 -4.0056 -4.0056 -3.6660 -3.6660 -3.4750 -3.4750 -2.7823 -2.7823 -2.6276 -2.6276 -0.9273 -0.9273 -0.4913 -0.4913 -0.4079 -0.4079 -0.3881 -0.3881 -0.3607 -0.3607 -0.0751 -0.0751 -0.0244 -0.0244 0.0381 0.0381 0.1536 0.1536 0.2070 0.2070 0.3228 0.3228 0.5067 0.5067 0.6281 0.6281 0.8053 0.8053 0.8400 0.8400 1.0209 1.0209 6.2703 6.2703 6.4446 6.4446 6.4796 6.4796 6.6223 6.6223 6.8721 6.8721 7.0729 7.0729 8.2356 8.2356 8.5520 8.5520 k = 0.0000 0.3809 0.4348 ( 9692 PWs) bands (ev): -15.9631 -15.9631 -15.9444 -15.9444 -14.5372 -14.5372 -14.4343 -14.4343 -13.1713 -13.1713 -13.1509 -13.1509 -12.7358 -12.7358 -12.6661 -12.6661 -10.1551 -10.1551 -9.9891 -9.9891 -8.4193 -8.4193 -8.4130 -8.4130 -5.0724 -5.0724 -4.9864 -4.9864 -4.6366 -4.6366 -4.5128 -4.5128 -4.2492 -4.2492 -4.0081 -4.0081 -3.6668 -3.6668 -3.4733 -3.4733 -2.7753 -2.7753 -2.6337 -2.6337 -0.9190 -0.9190 -0.5062 -0.5062 -0.4262 -0.4262 -0.3839 -0.3839 -0.3717 -0.3717 -0.0887 -0.0887 -0.0237 -0.0237 0.0516 0.0516 0.1603 0.1603 0.2102 0.2102 0.3201 0.3201 0.4914 0.4914 0.6424 0.6424 0.8103 0.8103 0.8534 0.8534 1.0158 1.0158 6.2721 6.2721 6.4428 6.4428 6.4634 6.4634 6.6271 6.6271 6.8804 6.8804 7.0661 7.0661 8.2513 8.2513 8.5419 8.5419 k = 0.0000 0.4000 0.4348 ( 9692 PWs) bands (ev): -15.9637 -15.9637 -15.9412 -15.9412 -14.5391 -14.5391 -14.4374 -14.4374 -13.1686 -13.1686 -13.1512 -13.1512 -12.7362 -12.7362 -12.6690 -12.6690 -10.1494 -10.1494 -9.9901 -9.9901 -8.4167 -8.4167 -8.4154 -8.4154 -5.0699 -5.0699 -4.9933 -4.9933 -4.6331 -4.6331 -4.5091 -4.5091 -4.2438 -4.2438 -4.0122 -4.0122 -3.6673 -3.6673 -3.4720 -3.4720 -2.7668 -2.7668 -2.6410 -2.6410 -0.9089 -0.9089 -0.5223 -0.5223 -0.4433 -0.4433 -0.3846 -0.3846 -0.3762 -0.3762 -0.1015 -0.1015 -0.0234 -0.0234 0.0654 0.0654 0.1675 0.1675 0.2134 0.2134 0.3168 0.3168 0.4770 0.4770 0.6568 0.6568 0.8137 0.8137 0.8659 0.8659 1.0095 1.0095 6.2743 6.2743 6.4422 6.4422 6.4483 6.4483 6.6283 6.6283 6.8919 6.8919 7.0580 7.0580 8.2683 8.2683 8.5298 8.5298 k = 0.0000 0.4190 0.4348 ( 9703 PWs) bands (ev): -15.9645 -15.9645 -15.9382 -15.9382 -14.5404 -14.5404 -14.4404 -14.4404 -13.1660 -13.1660 -13.1519 -13.1519 -12.7360 -12.7360 -12.6719 -12.6719 -10.1435 -10.1435 -9.9922 -9.9922 -8.4209 -8.4209 -8.4113 -8.4113 -5.0666 -5.0666 -5.0003 -5.0003 -4.6300 -4.6300 -4.5061 -4.5061 -4.2376 -4.2376 -4.0179 -4.0179 -3.6675 -3.6675 -3.4712 -3.4712 -2.7569 -2.7569 -2.6493 -2.6493 -0.8969 -0.8969 -0.5391 -0.5391 -0.4590 -0.4590 -0.3925 -0.3925 -0.3719 -0.3719 -0.1130 -0.1130 -0.0235 -0.0235 0.0789 0.0789 0.1751 0.1751 0.2167 0.2167 0.3126 0.3126 0.4637 0.4637 0.6711 0.6711 0.8155 0.8155 0.8775 0.8775 1.0023 1.0023 6.2769 6.2769 6.4315 6.4315 6.4457 6.4457 6.6262 6.6262 6.9065 6.9065 7.0487 7.0487 8.2865 8.2865 8.5160 8.5160 k = 0.0000 0.4190 0.4348 ( 9703 PWs) bands (ev): -15.9645 -15.9645 -15.9382 -15.9382 -14.5404 -14.5404 -14.4404 -14.4404 -13.1660 -13.1660 -13.1519 -13.1519 -12.7360 -12.7360 -12.6719 -12.6719 -10.1435 -10.1435 -9.9922 -9.9922 -8.4209 -8.4209 -8.4113 -8.4113 -5.0666 -5.0666 -5.0003 -5.0003 -4.6300 -4.6300 -4.5061 -4.5061 -4.2376 -4.2376 -4.0179 -4.0179 -3.6675 -3.6675 -3.4712 -3.4712 -2.7569 -2.7569 -2.6493 -2.6493 -0.8969 -0.8969 -0.5391 -0.5391 -0.4590 -0.4590 -0.3925 -0.3925 -0.3719 -0.3719 -0.1130 -0.1130 -0.0235 -0.0235 0.0789 0.0789 0.1751 0.1751 0.2167 0.2167 0.3126 0.3126 0.4637 0.4637 0.6711 0.6711 0.8155 0.8155 0.8775 0.8775 1.0023 1.0023 6.2769 6.2769 6.4315 6.4315 6.4457 6.4457 6.6262 6.6262 6.9065 6.9065 7.0487 7.0487 8.2865 8.2865 8.5160 8.5160 k = 0.0000 0.4290 0.4182 ( 9707 PWs) bands (ev): -15.9622 -15.9622 -15.9396 -15.9396 -14.5360 -14.5360 -14.4467 -14.4467 -13.1652 -13.1652 -13.1519 -13.1519 -12.7334 -12.7334 -12.6756 -12.6756 -10.1352 -10.1352 -9.9989 -9.9989 -8.4194 -8.4194 -8.4127 -8.4127 -5.0648 -5.0648 -5.0047 -5.0047 -4.6202 -4.6202 -4.5111 -4.5111 -4.2273 -4.2273 -4.0293 -4.0293 -3.6557 -3.6557 -3.4814 -3.4814 -2.7516 -2.7516 -2.6517 -2.6517 -0.8768 -0.8768 -0.5546 -0.5546 -0.4492 -0.4492 -0.3955 -0.3955 -0.3776 -0.3776 -0.1430 -0.1430 -0.0192 -0.0192 0.0742 0.0742 0.1845 0.1845 0.2174 0.2174 0.3133 0.3133 0.4465 0.4465 0.6890 0.6890 0.8205 0.8205 0.8816 0.8816 0.9916 0.9916 6.2827 6.2827 6.4175 6.4175 6.4523 6.4523 6.6206 6.6206 6.9203 6.9203 7.0499 7.0499 8.2975 8.2975 8.5067 8.5067 k = 0.0000 0.4391 0.4016 ( 9702 PWs) bands (ev): -15.9600 -15.9600 -15.9410 -15.9410 -14.5313 -14.5313 -14.4533 -14.4533 -13.1644 -13.1644 -13.1521 -13.1521 -12.7305 -12.7305 -12.6796 -12.6796 -10.1263 -10.1263 -10.0064 -10.0064 -8.4183 -8.4183 -8.4138 -8.4138 -5.0625 -5.0625 -5.0094 -5.0094 -4.6105 -4.6105 -4.5166 -4.5166 -4.2159 -4.2159 -4.0420 -4.0420 -3.6435 -3.6435 -3.4922 -3.4922 -2.7452 -2.7452 -2.6551 -2.6551 -0.8552 -0.8552 -0.5722 -0.5722 -0.4381 -0.4381 -0.3977 -0.3977 -0.3825 -0.3825 -0.1725 -0.1725 -0.0145 -0.0145 0.0681 0.0681 0.1941 0.1941 0.2197 0.2197 0.3139 0.3139 0.4295 0.4295 0.7069 0.7069 0.8241 0.8241 0.8857 0.8857 0.9802 0.9802 6.2888 6.2888 6.4035 6.4035 6.4607 6.4607 6.6128 6.6128 6.9349 6.9349 7.0495 7.0495 8.3102 8.3102 8.4958 8.4958 k = 0.0000 0.4491 0.3850 ( 9703 PWs) bands (ev): -15.9579 -15.9579 -15.9423 -15.9423 -14.5260 -14.5260 -14.4601 -14.4601 -13.1634 -13.1634 -13.1526 -13.1526 -12.7271 -12.7271 -12.6838 -12.6838 -10.1168 -10.1168 -10.0148 -10.0148 -8.4175 -8.4175 -8.4146 -8.4146 -5.0595 -5.0595 -5.0142 -5.0142 -4.6010 -4.6010 -4.5225 -4.5225 -4.2036 -4.2036 -4.0557 -4.0557 -3.6310 -3.6310 -3.5035 -3.5035 -2.7379 -2.7379 -2.6597 -2.6597 -0.8324 -0.8324 -0.5917 -0.5917 -0.4259 -0.4259 -0.3991 -0.3991 -0.3867 -0.3867 -0.2013 -0.2013 -0.0095 -0.0095 0.0612 0.0612 0.2035 0.2035 0.2231 0.2231 0.3149 0.3149 0.4129 0.4129 0.7247 0.7247 0.8259 0.8259 0.8899 0.8899 0.9685 0.9685 6.2953 6.2953 6.3900 6.3900 6.4706 6.4706 6.6028 6.6028 6.9498 6.9498 7.0475 7.0475 8.3245 8.3245 8.4835 8.4835 k = 0.0000 0.4592 0.3684 ( 9697 PWs) bands (ev): -15.9560 -15.9560 -15.9437 -15.9437 -14.5204 -14.5204 -14.4670 -14.4670 -13.1623 -13.1623 -13.1533 -13.1533 -12.7234 -12.7234 -12.6881 -12.6881 -10.1068 -10.1068 -10.0239 -10.0239 -8.4169 -8.4169 -8.4151 -8.4151 -5.0562 -5.0562 -5.0191 -5.0191 -4.5918 -4.5918 -4.5287 -4.5287 -4.1905 -4.1905 -4.0701 -4.0701 -3.6183 -3.6183 -3.5153 -3.5153 -2.7298 -2.7298 -2.6653 -2.6653 -0.8086 -0.8086 -0.6128 -0.6128 -0.4146 -0.4146 -0.3987 -0.3987 -0.3890 -0.3890 -0.2293 -0.2293 -0.0040 -0.0040 0.0536 0.0536 0.2123 0.2123 0.2271 0.2271 0.3167 0.3167 0.3968 0.3968 0.7422 0.7422 0.8258 0.8258 0.8943 0.8943 0.9567 0.9567 6.3021 6.3021 6.3773 6.3773 6.4818 6.4818 6.5913 6.5913 6.9644 6.9644 7.0440 7.0440 8.3399 8.3399 8.4700 8.4700 k = 0.0000 0.4692 0.3518 ( 9702 PWs) bands (ev): -15.9542 -15.9542 -15.9451 -15.9451 -14.5144 -14.5144 -14.4740 -14.4740 -13.1611 -13.1611 -13.1541 -13.1541 -12.7194 -12.7194 -12.6926 -12.6926 -10.0965 -10.0965 -10.0335 -10.0335 -8.4165 -8.4165 -8.4155 -8.4155 -5.0524 -5.0524 -5.0241 -5.0241 -4.5828 -4.5828 -4.5354 -4.5354 -4.1766 -4.1766 -4.0852 -4.0852 -3.6053 -3.6053 -3.5275 -3.5275 -2.7214 -2.7214 -2.6717 -2.6717 -0.7840 -0.7840 -0.6352 -0.6352 -0.4084 -0.4084 -0.3981 -0.3981 -0.3835 -0.3835 -0.2562 -0.2562 0.0020 0.0020 0.0458 0.0458 0.2200 0.2200 0.2309 0.2309 0.3198 0.3198 0.3814 0.3814 0.7589 0.7589 0.8235 0.8235 0.8990 0.8990 0.9453 0.9453 6.3094 6.3094 6.3653 6.3653 6.4941 6.4941 6.5784 6.5784 6.9785 6.9785 7.0390 7.0390 8.3562 8.3562 8.4554 8.4554 k = 0.0000 0.4793 0.3352 ( 9689 PWs) bands (ev): -15.9525 -15.9525 -15.9465 -15.9465 -14.5081 -14.5081 -14.4810 -14.4810 -13.1599 -13.1599 -13.1551 -13.1551 -12.7152 -12.7152 -12.6972 -12.6972 -10.0860 -10.0860 -10.0435 -10.0435 -8.4162 -8.4162 -8.4157 -8.4157 -5.0482 -5.0482 -5.0292 -5.0292 -4.5741 -4.5741 -4.5424 -4.5424 -4.1621 -4.1621 -4.1006 -4.1006 -3.5922 -3.5922 -3.5401 -3.5401 -2.7126 -2.7126 -2.6789 -2.6789 -0.7589 -0.7589 -0.6588 -0.6588 -0.4065 -0.4065 -0.4000 -0.4000 -0.3686 -0.3686 -0.2818 -0.2818 0.0084 0.0084 0.0378 0.0378 0.2263 0.2263 0.2337 0.2337 0.3249 0.3249 0.3669 0.3669 0.7747 0.7747 0.8187 0.8187 0.9042 0.9042 0.9347 0.9347 6.3171 6.3171 6.3541 6.3541 6.5075 6.5075 6.5647 6.5647 6.9917 6.9917 7.0324 7.0324 8.3730 8.3730 8.4399 8.4399 k = 0.0000 0.4893 0.3185 ( 9687 PWs) bands (ev): -15.9509 -15.9509 -15.9479 -15.9479 -14.5016 -14.5016 -14.4879 -14.4879 -13.1587 -13.1587 -13.1563 -13.1563 -12.7108 -12.7108 -12.7018 -12.7018 -10.0753 -10.0753 -10.0539 -10.0539 -8.4161 -8.4161 -8.4159 -8.4159 -5.0437 -5.0437 -5.0341 -5.0341 -4.5657 -4.5657 -4.5498 -4.5498 -4.1470 -4.1470 -4.1161 -4.1161 -3.5790 -3.5790 -3.5529 -3.5529 -2.7038 -2.7038 -2.6868 -2.6868 -0.7335 -0.7335 -0.6832 -0.6832 -0.4053 -0.4053 -0.4021 -0.4021 -0.3498 -0.3498 -0.3061 -0.3061 0.0152 0.0152 0.0300 0.0300 0.2310 0.2310 0.2348 0.2348 0.3322 0.3322 0.3536 0.3536 0.7889 0.7889 0.8113 0.8113 0.9101 0.9101 0.9252 0.9252 6.3253 6.3253 6.3438 6.3438 6.5214 6.5214 6.5504 6.5504 7.0038 7.0038 7.0243 7.0243 8.3900 8.3900 8.4237 8.4237 k = 0.0000 0.4993 0.3019 ( 9688 PWs) bands (ev): -15.9494 -15.9494 -15.9493 -15.9493 -14.4948 -14.4948 -14.4948 -14.4948 -13.1575 -13.1575 -13.1574 -13.1574 -12.7064 -12.7064 -12.7063 -12.7063 -10.0646 -10.0646 -10.0645 -10.0645 -8.4160 -8.4160 -8.4160 -8.4160 -5.0390 -5.0390 -5.0390 -5.0390 -4.5576 -4.5576 -4.5575 -4.5575 -4.1317 -4.1317 -4.1317 -4.1317 -3.5660 -3.5660 -3.5659 -3.5659 -2.6952 -2.6952 -2.6951 -2.6951 -0.7082 -0.7082 -0.7082 -0.7082 -0.4039 -0.4039 -0.4039 -0.4039 -0.3288 -0.3288 -0.3288 -0.3288 0.0224 0.0224 0.0225 0.0225 0.2339 0.2339 0.2339 0.2339 0.3419 0.3419 0.3419 0.3419 0.8013 0.8013 0.8013 0.8013 0.9171 0.9171 0.9171 0.9171 6.3341 6.3341 6.3342 6.3342 6.5358 6.5358 6.5359 6.5359 7.0147 7.0147 7.0148 7.0148 8.4070 8.4070 8.4071 8.4071 k = 0.0000 0.4993 0.3019 ( 9688 PWs) bands (ev): -15.9494 -15.9494 -15.9493 -15.9493 -14.4948 -14.4948 -14.4948 -14.4948 -13.1575 -13.1575 -13.1574 -13.1574 -12.7064 -12.7064 -12.7063 -12.7063 -10.0646 -10.0646 -10.0645 -10.0645 -8.4160 -8.4160 -8.4160 -8.4160 -5.0390 -5.0390 -5.0390 -5.0390 -4.5576 -4.5576 -4.5575 -4.5575 -4.1317 -4.1317 -4.1317 -4.1317 -3.5660 -3.5660 -3.5659 -3.5659 -2.6952 -2.6952 -2.6951 -2.6951 -0.7082 -0.7082 -0.7082 -0.7082 -0.4039 -0.4039 -0.4039 -0.4039 -0.3288 -0.3288 -0.3288 -0.3288 0.0224 0.0224 0.0225 0.0225 0.2339 0.2339 0.2339 0.2339 0.3419 0.3419 0.3419 0.3419 0.8013 0.8013 0.8013 0.8013 0.9171 0.9171 0.9171 0.9171 6.3341 6.3341 6.3342 6.3342 6.5358 6.5358 6.5359 6.5359 7.0147 7.0147 7.0148 7.0148 8.4070 8.4070 8.4071 8.4071 k = 0.0192 0.4993 0.3019 ( 9682 PWs) bands (ev): -15.9493 -15.9493 -15.9492 -15.9492 -14.4948 -14.4948 -14.4948 -14.4948 -13.1578 -13.1578 -13.1578 -13.1578 -12.7064 -12.7064 -12.7064 -12.7064 -10.0642 -10.0642 -10.0641 -10.0641 -8.4160 -8.4160 -8.4160 -8.4160 -5.0387 -5.0387 -5.0386 -5.0386 -4.5574 -4.5574 -4.5574 -4.5574 -4.1323 -4.1323 -4.1321 -4.1321 -3.5646 -3.5646 -3.5645 -3.5645 -2.6957 -2.6957 -2.6957 -2.6957 -0.7088 -0.7088 -0.7083 -0.7083 -0.4064 -0.4064 -0.4035 -0.4035 -0.3288 -0.3288 -0.3282 -0.3282 0.0204 0.0204 0.0240 0.0240 0.2296 0.2296 0.2331 0.2331 0.3421 0.3421 0.3428 0.3428 0.8017 0.8017 0.8018 0.8018 0.9172 0.9172 0.9187 0.9187 6.3342 6.3342 6.3343 6.3343 6.5367 6.5367 6.5370 6.5370 7.0150 7.0150 7.0154 7.0154 8.4058 8.4058 8.4060 8.4060 k = 0.0385 0.4993 0.3019 ( 9682 PWs) bands (ev): -15.9490 -15.9490 -15.9489 -15.9489 -14.4948 -14.4948 -14.4947 -14.4947 -13.1589 -13.1589 -13.1589 -13.1589 -12.7066 -12.7066 -12.7066 -12.7066 -10.0629 -10.0629 -10.0629 -10.0629 -8.4160 -8.4160 -8.4160 -8.4160 -5.0377 -5.0377 -5.0376 -5.0376 -4.5570 -4.5570 -4.5569 -4.5569 -4.1338 -4.1338 -4.1335 -4.1335 -3.5606 -3.5606 -3.5604 -3.5604 -2.6974 -2.6974 -2.6973 -2.6973 -0.7100 -0.7100 -0.7091 -0.7091 -0.4108 -0.4108 -0.4052 -0.4052 -0.3281 -0.3281 -0.3271 -0.3271 0.0177 0.0177 0.0249 0.0249 0.2205 0.2205 0.2276 0.2276 0.3433 0.3433 0.3447 0.3447 0.8029 0.8029 0.8034 0.8034 0.9191 0.9191 0.9222 0.9222 6.3344 6.3344 6.3346 6.3346 6.5395 6.5395 6.5400 6.5400 7.0161 7.0161 7.0169 7.0169 8.4025 8.4025 8.4029 8.4029 k = 0.0577 0.4993 0.3019 ( 9672 PWs) bands (ev): -15.9485 -15.9485 -15.9484 -15.9484 -14.4948 -14.4948 -14.4947 -14.4947 -13.1607 -13.1607 -13.1607 -13.1607 -12.7070 -12.7070 -12.7070 -12.7070 -10.0609 -10.0609 -10.0609 -10.0609 -8.4161 -8.4161 -8.4161 -8.4161 -5.0360 -5.0360 -5.0359 -5.0359 -4.5562 -4.5562 -4.5561 -4.5561 -4.1363 -4.1363 -4.1358 -4.1358 -3.5540 -3.5540 -3.5537 -3.5537 -2.7002 -2.7002 -2.7000 -2.7000 -0.7117 -0.7117 -0.7105 -0.7105 -0.4168 -0.4168 -0.4092 -0.4092 -0.3266 -0.3266 -0.3258 -0.3258 0.0145 0.0145 0.0253 0.0253 0.2069 0.2069 0.2175 0.2175 0.3454 0.3454 0.3476 0.3476 0.8047 0.8047 0.8058 0.8058 0.9226 0.9226 0.9275 0.9275 6.3347 6.3347 6.3351 6.3351 6.5442 6.5442 6.5451 6.5451 7.0181 7.0181 7.0192 7.0192 8.3970 8.3970 8.3976 8.3976 k = 0.0769 0.4993 0.3019 ( 9690 PWs) bands (ev): -15.9477 -15.9477 -15.9477 -15.9477 -14.4947 -14.4947 -14.4947 -14.4947 -13.1632 -13.1632 -13.1632 -13.1632 -12.7075 -12.7075 -12.7074 -12.7074 -10.0581 -10.0581 -10.0581 -10.0581 -8.4162 -8.4162 -8.4161 -8.4161 -5.0337 -5.0337 -5.0335 -5.0335 -4.5551 -4.5551 -4.5550 -4.5550 -4.1396 -4.1396 -4.1389 -4.1389 -3.5450 -3.5450 -3.5446 -3.5446 -2.7039 -2.7039 -2.7038 -2.7038 -0.7140 -0.7140 -0.7124 -0.7124 -0.4243 -0.4243 -0.4153 -0.4153 -0.3245 -0.3245 -0.3243 -0.3243 0.0105 0.0105 0.0249 0.0249 0.1894 0.1894 0.2034 0.2034 0.3482 0.3482 0.3512 0.3512 0.8069 0.8069 0.8091 0.8091 0.9278 0.9278 0.9345 0.9345 6.3353 6.3353 6.3357 6.3357 6.5510 6.5510 6.5521 6.5521 7.0207 7.0207 7.0222 7.0222 8.3896 8.3896 8.3904 8.3904 k = 0.0962 0.4993 0.3019 ( 9690 PWs) bands (ev): -15.9468 -15.9468 -15.9468 -15.9468 -14.4947 -14.4947 -14.4946 -14.4946 -13.1663 -13.1663 -13.1663 -13.1663 -12.7081 -12.7081 -12.7081 -12.7081 -10.0546 -10.0546 -10.0546 -10.0546 -8.4163 -8.4163 -8.4163 -8.4163 -5.0307 -5.0307 -5.0305 -5.0305 -4.5538 -4.5538 -4.5537 -4.5537 -4.1435 -4.1435 -4.1427 -4.1427 -3.5336 -3.5336 -3.5332 -3.5332 -2.7087 -2.7087 -2.7084 -2.7084 -0.7166 -0.7166 -0.7148 -0.7148 -0.4332 -0.4332 -0.4233 -0.4233 -0.3226 -0.3226 -0.3220 -0.3220 0.0056 0.0056 0.0237 0.0237 0.1686 0.1686 0.1859 0.1859 0.3516 0.3516 0.3555 0.3555 0.8093 0.8093 0.8130 0.8130 0.9343 0.9343 0.9431 0.9431 6.3361 6.3361 6.3366 6.3366 6.5597 6.5597 6.5611 6.5611 7.0238 7.0238 7.0257 7.0257 8.3803 8.3803 8.3812 8.3812 k = 0.1154 0.4993 0.3019 ( 9680 PWs) bands (ev): -15.9458 -15.9458 -15.9457 -15.9457 -14.4946 -14.4946 -14.4945 -14.4945 -13.1700 -13.1700 -13.1700 -13.1700 -12.7089 -12.7089 -12.7088 -12.7088 -10.0504 -10.0504 -10.0504 -10.0504 -8.4164 -8.4164 -8.4164 -8.4164 -5.0271 -5.0271 -5.0269 -5.0269 -4.5523 -4.5523 -4.5522 -4.5522 -4.1480 -4.1480 -4.1471 -4.1471 -3.5203 -3.5203 -3.5198 -3.5198 -2.7143 -2.7143 -2.7140 -2.7140 -0.7194 -0.7194 -0.7176 -0.7176 -0.4432 -0.4432 -0.4329 -0.4329 -0.3210 -0.3210 -0.3193 -0.3193 -0.0004 -0.0004 0.0215 0.0215 0.1449 0.1449 0.1658 0.1658 0.3555 0.3555 0.3605 0.3605 0.8119 0.8119 0.8173 0.8173 0.9423 0.9423 0.9530 0.9530 6.3372 6.3372 6.3377 6.3377 6.5704 6.5704 6.5720 6.5720 7.0273 7.0273 7.0295 7.0295 8.3692 8.3692 8.3703 8.3703 k = 0.1346 0.4993 0.3019 ( 9678 PWs) bands (ev): -15.9445 -15.9445 -15.9444 -15.9444 -14.4945 -14.4945 -14.4944 -14.4944 -13.1742 -13.1742 -13.1742 -13.1742 -12.7098 -12.7098 -12.7097 -12.7097 -10.0456 -10.0456 -10.0456 -10.0456 -8.4166 -8.4166 -8.4165 -8.4165 -5.0230 -5.0230 -5.0227 -5.0227 -4.5507 -4.5507 -4.5506 -4.5506 -4.1529 -4.1529 -4.1519 -4.1519 -3.5052 -3.5052 -3.5046 -3.5046 -2.7206 -2.7206 -2.7203 -2.7203 -0.7224 -0.7224 -0.7205 -0.7205 -0.4544 -0.4544 -0.4439 -0.4439 -0.3194 -0.3194 -0.3166 -0.3166 -0.0078 -0.0078 0.0181 0.0181 0.1190 0.1190 0.1438 0.1438 0.3599 0.3599 0.3660 0.3660 0.8145 0.8145 0.8218 0.8218 0.9513 0.9513 0.9641 0.9641 6.3386 6.3386 6.3391 6.3391 6.5831 6.5831 6.5850 6.5850 7.0309 7.0309 7.0334 7.0334 8.3566 8.3566 8.3579 8.3579 k = 0.1538 0.4993 0.3019 ( 9682 PWs) bands (ev): -15.9431 -15.9431 -15.9430 -15.9430 -14.4944 -14.4944 -14.4944 -14.4944 -13.1788 -13.1788 -13.1788 -13.1788 -12.7108 -12.7108 -12.7107 -12.7107 -10.0403 -10.0403 -10.0402 -10.0402 -8.4167 -8.4167 -8.4167 -8.4167 -5.0183 -5.0183 -5.0180 -5.0180 -4.5489 -4.5489 -4.5488 -4.5488 -4.1581 -4.1581 -4.1569 -4.1569 -3.4885 -3.4885 -3.4879 -3.4879 -2.7276 -2.7276 -2.7272 -2.7272 -0.7254 -0.7254 -0.7235 -0.7235 -0.4664 -0.4664 -0.4559 -0.4559 -0.3180 -0.3180 -0.3141 -0.3141 -0.0172 -0.0172 0.0129 0.0129 0.0918 0.0918 0.1207 0.1207 0.3648 0.3648 0.3721 0.3721 0.8172 0.8172 0.8264 0.8264 0.9614 0.9614 0.9761 0.9761 6.3404 6.3404 6.3408 6.3408 6.5978 6.5978 6.5999 6.5999 7.0343 7.0343 7.0371 7.0371 8.3426 8.3426 8.3441 8.3441 k = 0.1731 0.4993 0.3019 ( 9672 PWs) bands (ev): -15.9416 -15.9416 -15.9415 -15.9415 -14.4943 -14.4943 -14.4943 -14.4943 -13.1838 -13.1838 -13.1838 -13.1838 -12.7119 -12.7119 -12.7119 -12.7119 -10.0345 -10.0345 -10.0344 -10.0344 -8.4169 -8.4169 -8.4169 -8.4169 -5.0131 -5.0131 -5.0128 -5.0128 -4.5471 -4.5471 -4.5470 -4.5470 -4.1633 -4.1633 -4.1621 -4.1621 -3.4707 -3.4707 -3.4700 -3.4700 -2.7350 -2.7350 -2.7345 -2.7345 -0.7283 -0.7283 -0.7265 -0.7265 -0.4791 -0.4791 -0.4688 -0.4688 -0.3168 -0.3168 -0.3120 -0.3120 -0.0291 -0.0291 0.0051 0.0051 0.0647 0.0647 0.0976 0.0976 0.3702 0.3702 0.3788 0.3788 0.8198 0.8198 0.8310 0.8310 0.9723 0.9723 0.9887 0.9887 6.3425 6.3425 6.3429 6.3429 6.6145 6.6145 6.6167 6.6167 7.0375 7.0375 7.0405 7.0405 8.3274 8.3274 8.3291 8.3291 k = 0.1923 0.4993 0.3019 ( 9680 PWs) bands (ev): -15.9400 -15.9400 -15.9399 -15.9399 -14.4943 -14.4943 -14.4942 -14.4942 -13.1891 -13.1891 -13.1890 -13.1890 -12.7132 -12.7132 -12.7131 -12.7131 -10.0283 -10.0283 -10.0282 -10.0282 -8.4171 -8.4171 -8.4171 -8.4171 -5.0074 -5.0074 -5.0071 -5.0071 -4.5453 -4.5453 -4.5452 -4.5452 -4.1686 -4.1686 -4.1673 -4.1673 -3.4521 -3.4521 -3.4513 -3.4513 -2.7426 -2.7426 -2.7421 -2.7421 -0.7310 -0.7310 -0.7294 -0.7294 -0.4923 -0.4923 -0.4821 -0.4821 -0.3159 -0.3159 -0.3105 -0.3105 -0.0440 -0.0440 -0.0080 -0.0080 0.0407 0.0407 0.0755 0.0755 0.3761 0.3761 0.3858 0.3858 0.8225 0.8225 0.8355 0.8355 0.9837 0.9837 1.0016 1.0016 6.3450 6.3450 6.3453 6.3453 6.6330 6.6330 6.6354 6.6354 7.0401 7.0401 7.0433 7.0433 8.3112 8.3112 8.3131 8.3131 k = 0.2115 0.4993 0.3019 ( 9676 PWs) bands (ev): -15.9383 -15.9383 -15.9382 -15.9382 -14.4942 -14.4942 -14.4941 -14.4941 -13.1945 -13.1945 -13.1945 -13.1945 -12.7145 -12.7145 -12.7145 -12.7145 -10.0218 -10.0218 -10.0218 -10.0218 -8.4173 -8.4173 -8.4173 -8.4173 -5.0014 -5.0014 -5.0011 -5.0011 -4.5436 -4.5436 -4.5434 -4.5434 -4.1737 -4.1737 -4.1723 -4.1723 -3.4329 -3.4329 -3.4321 -3.4321 -2.7504 -2.7504 -2.7498 -2.7498 -0.7335 -0.7335 -0.7320 -0.7320 -0.5059 -0.5059 -0.4958 -0.4958 -0.3153 -0.3153 -0.3096 -0.3096 -0.0626 -0.0626 -0.0290 -0.0290 0.0228 0.0228 0.0555 0.0555 0.3824 0.3824 0.3933 0.3933 0.8251 0.8251 0.8398 0.8398 0.9955 0.9955 1.0147 1.0147 6.3478 6.3478 6.3480 6.3480 6.6533 6.6533 6.6558 6.6558 7.0421 7.0421 7.0455 7.0455 8.2942 8.2942 8.2963 8.2963 k = 0.2308 0.4993 0.3019 ( 9670 PWs) bands (ev): -15.9365 -15.9365 -15.9364 -15.9364 -14.4941 -14.4941 -14.4940 -14.4940 -13.2001 -13.2001 -13.2001 -13.2001 -12.7159 -12.7159 -12.7159 -12.7159 -10.0152 -10.0152 -10.0151 -10.0151 -8.4176 -8.4176 -8.4175 -8.4175 -4.9950 -4.9950 -4.9947 -4.9947 -4.5420 -4.5420 -4.5417 -4.5417 -4.1785 -4.1785 -4.1771 -4.1771 -3.4135 -3.4135 -3.4127 -3.4127 -2.7580 -2.7580 -2.7574 -2.7574 -0.7356 -0.7356 -0.7344 -0.7344 -0.5197 -0.5197 -0.5096 -0.5096 -0.3152 -0.3152 -0.3094 -0.3094 -0.0846 -0.0846 -0.0566 -0.0566 0.0105 0.0105 0.0378 0.0378 0.3891 0.3891 0.4012 0.4012 0.8277 0.8277 0.8440 0.8440 1.0075 1.0075 1.0278 1.0278 6.3510 6.3510 6.3511 6.3511 6.6752 6.6752 6.6779 6.6779 7.0433 7.0433 7.0469 7.0469 8.2766 8.2766 8.2789 8.2789 k = 0.2500 0.4993 0.3019 ( 9674 PWs) bands (ev): -15.9348 -15.9348 -15.9347 -15.9347 -14.4941 -14.4941 -14.4940 -14.4940 -13.2057 -13.2057 -13.2057 -13.2057 -12.7174 -12.7174 -12.7174 -12.7174 -10.0084 -10.0084 -10.0084 -10.0084 -8.4178 -8.4178 -8.4177 -8.4177 -4.9884 -4.9884 -4.9882 -4.9882 -4.5405 -4.5405 -4.5402 -4.5402 -4.1831 -4.1831 -4.1815 -4.1815 -3.3944 -3.3944 -3.3936 -3.3936 -2.7653 -2.7653 -2.7646 -2.7646 -0.7373 -0.7373 -0.7363 -0.7363 -0.5334 -0.5334 -0.5234 -0.5234 -0.3155 -0.3155 -0.3099 -0.3099 -0.1095 -0.1095 -0.0874 -0.0874 0.0006 0.0006 0.0225 0.0225 0.3960 0.3960 0.4092 0.4092 0.8304 0.8304 0.8479 0.8479 1.0195 1.0195 1.0407 1.0407 6.3543 6.3543 6.3546 6.3546 6.6985 6.6985 6.7013 6.7013 7.0436 7.0436 7.0473 7.0473 8.2585 8.2585 8.2610 8.2610 k = 0.2692 0.4993 0.3019 ( 9672 PWs) bands (ev): -15.9330 -15.9330 -15.9329 -15.9329 -14.4940 -14.4940 -14.4939 -14.4939 -13.2112 -13.2112 -13.2112 -13.2112 -12.7189 -12.7189 -12.7189 -12.7189 -10.0017 -10.0017 -10.0017 -10.0017 -8.4180 -8.4180 -8.4179 -8.4179 -4.9817 -4.9817 -4.9814 -4.9814 -4.5392 -4.5392 -4.5389 -4.5389 -4.1872 -4.1872 -4.1856 -4.1856 -3.3758 -3.3758 -3.3749 -3.3749 -2.7720 -2.7720 -2.7713 -2.7713 -0.7386 -0.7386 -0.7379 -0.7379 -0.5470 -0.5470 -0.5369 -0.5369 -0.3163 -0.3163 -0.3111 -0.3111 -0.1363 -0.1363 -0.1191 -0.1191 -0.0085 -0.0085 0.0092 0.0092 0.4032 0.4032 0.4174 0.4174 0.8329 0.8329 0.8517 0.8517 1.0312 1.0312 1.0532 1.0532 6.3579 6.3579 6.3584 6.3584 6.7230 6.7230 6.7260 6.7260 7.0430 7.0430 7.0468 7.0468 8.2403 8.2403 8.2429 8.2429 k = 0.2885 0.4993 0.3019 ( 9674 PWs) bands (ev): -15.9312 -15.9312 -15.9311 -15.9311 -14.4940 -14.4940 -14.4939 -14.4939 -13.2166 -13.2166 -13.2166 -13.2166 -12.7205 -12.7205 -12.7204 -12.7204 -9.9951 -9.9951 -9.9951 -9.9951 -8.4183 -8.4183 -8.4182 -8.4182 -4.9750 -4.9750 -4.9747 -4.9747 -4.5382 -4.5382 -4.5377 -4.5377 -4.1910 -4.1910 -4.1893 -4.1893 -3.3581 -3.3581 -3.3571 -3.3571 -2.7780 -2.7780 -2.7772 -2.7772 -0.7395 -0.7395 -0.7390 -0.7390 -0.5603 -0.5603 -0.5502 -0.5502 -0.3175 -0.3175 -0.3131 -0.3131 -0.1639 -0.1639 -0.1506 -0.1506 -0.0173 -0.0173 -0.0028 -0.0028 0.4105 0.4105 0.4256 0.4256 0.8355 0.8355 0.8552 0.8552 1.0426 1.0426 1.0652 1.0652 6.3617 6.3617 6.3624 6.3624 6.7484 6.7484 6.7515 6.7515 7.0415 7.0415 7.0454 7.0454 8.2220 8.2220 8.2248 8.2248 k = 0.3077 0.4993 0.3019 ( 9676 PWs) bands (ev): -15.9295 -15.9295 -15.9294 -15.9294 -14.4940 -14.4940 -14.4939 -14.4939 -13.2218 -13.2218 -13.2218 -13.2218 -12.7220 -12.7220 -12.7220 -12.7220 -9.9887 -9.9887 -9.9886 -9.9886 -8.4185 -8.4185 -8.4184 -8.4184 -4.9683 -4.9683 -4.9680 -4.9680 -4.5373 -4.5373 -4.5368 -4.5368 -4.1942 -4.1942 -4.1926 -4.1926 -3.3416 -3.3416 -3.3406 -3.3406 -2.7830 -2.7830 -2.7822 -2.7822 -0.7400 -0.7400 -0.7397 -0.7397 -0.5733 -0.5733 -0.5630 -0.5630 -0.3192 -0.3192 -0.3157 -0.3157 -0.1914 -0.1914 -0.1811 -0.1811 -0.0259 -0.0259 -0.0136 -0.0136 0.4178 0.4178 0.4337 0.4337 0.8379 0.8379 0.8585 0.8585 1.0535 1.0535 1.0766 1.0766 6.3656 6.3656 6.3665 6.3665 6.7744 6.7744 6.7775 6.7775 7.0392 7.0392 7.0431 7.0431 8.2038 8.2038 8.2068 8.2068 k = 0.3269 0.4993 0.3019 ( 9672 PWs) bands (ev): -15.9278 -15.9278 -15.9277 -15.9277 -14.4939 -14.4939 -14.4939 -14.4939 -13.2267 -13.2267 -13.2267 -13.2267 -12.7235 -12.7235 -12.7234 -12.7234 -9.9826 -9.9826 -9.9825 -9.9825 -8.4187 -8.4187 -8.4186 -8.4186 -4.9618 -4.9618 -4.9615 -4.9615 -4.5366 -4.5366 -4.5360 -4.5360 -4.1971 -4.1971 -4.1953 -4.1953 -3.3265 -3.3265 -3.3255 -3.3255 -2.7870 -2.7870 -2.7861 -2.7861 -0.7399 -0.7399 -0.7398 -0.7398 -0.5859 -0.5859 -0.5755 -0.5755 -0.3213 -0.3213 -0.3189 -0.3189 -0.2178 -0.2178 -0.2101 -0.2101 -0.0343 -0.0343 -0.0235 -0.0235 0.4250 0.4250 0.4415 0.4415 0.8402 0.8402 0.8616 0.8616 1.0637 1.0637 1.0873 1.0873 6.3695 6.3695 6.3707 6.3707 6.8006 6.8006 6.8037 6.8037 7.0361 7.0361 7.0400 7.0400 8.1860 8.1860 8.1892 8.1892 k = 0.3462 0.4993 0.3019 ( 9670 PWs) bands (ev): -15.9263 -15.9263 -15.9262 -15.9262 -14.4939 -14.4939 -14.4939 -14.4939 -13.2313 -13.2313 -13.2313 -13.2313 -12.7249 -12.7249 -12.7249 -12.7249 -9.9768 -9.9768 -9.9768 -9.9768 -8.4189 -8.4189 -8.4188 -8.4188 -4.9555 -4.9555 -4.9553 -4.9553 -4.5362 -4.5362 -4.5355 -4.5355 -4.1994 -4.1994 -4.1977 -4.1977 -3.3131 -3.3131 -3.3120 -3.3120 -2.7899 -2.7899 -2.7890 -2.7890 -0.7395 -0.7395 -0.7393 -0.7393 -0.5979 -0.5979 -0.5875 -0.5875 -0.3238 -0.3238 -0.3226 -0.3226 -0.2426 -0.2426 -0.2369 -0.2369 -0.0423 -0.0423 -0.0325 -0.0325 0.4318 0.4318 0.4490 0.4490 0.8423 0.8423 0.8644 0.8644 1.0732 1.0732 1.0971 1.0971 6.3734 6.3734 6.3748 6.3748 6.8264 6.8264 6.8297 6.8297 7.0323 7.0323 7.0362 7.0362 8.1688 8.1688 8.1722 8.1722 k = 0.3654 0.4993 0.3019 ( 9674 PWs) bands (ev): -15.9248 -15.9248 -15.9247 -15.9247 -14.4940 -14.4940 -14.4939 -14.4939 -13.2355 -13.2355 -13.2354 -13.2354 -12.7262 -12.7262 -12.7262 -12.7262 -9.9715 -9.9715 -9.9715 -9.9715 -8.4192 -8.4192 -8.4190 -8.4190 -4.9497 -4.9497 -4.9495 -4.9495 -4.5359 -4.5359 -4.5352 -4.5352 -4.2014 -4.2014 -4.1996 -4.1996 -3.3015 -3.3015 -3.3004 -3.3004 -2.7918 -2.7918 -2.7908 -2.7908 -0.7387 -0.7387 -0.7383 -0.7383 -0.6095 -0.6095 -0.5990 -0.5990 -0.3269 -0.3269 -0.3269 -0.3269 -0.2649 -0.2649 -0.2611 -0.2611 -0.0497 -0.0497 -0.0406 -0.0406 0.4383 0.4383 0.4559 0.4559 0.8442 0.8442 0.8668 0.8668 1.0818 1.0818 1.1059 1.1059 6.3772 6.3772 6.3789 6.3789 6.8516 6.8516 6.8549 6.8549 7.0279 7.0279 7.0318 7.0318 8.1524 8.1524 8.1560 8.1560 k = 0.3846 0.4993 0.3019 ( 9670 PWs) bands (ev): -15.9235 -15.9235 -15.9234 -15.9234 -14.4940 -14.4940 -14.4939 -14.4939 -13.2392 -13.2392 -13.2392 -13.2392 -12.7274 -12.7274 -12.7274 -12.7274 -9.9668 -9.9668 -9.9667 -9.9667 -8.4193 -8.4193 -8.4192 -8.4192 -4.9444 -4.9444 -4.9442 -4.9442 -4.5358 -4.5358 -4.5350 -4.5350 -4.2030 -4.2030 -4.2011 -4.2011 -3.2918 -3.2918 -3.2906 -3.2906 -2.7927 -2.7927 -2.7917 -2.7917 -0.7374 -0.7374 -0.7367 -0.7367 -0.6204 -0.6204 -0.6101 -0.6101 -0.3317 -0.3317 -0.3306 -0.3306 -0.2843 -0.2843 -0.2818 -0.2818 -0.0566 -0.0566 -0.0479 -0.0479 0.4442 0.4442 0.4622 0.4622 0.8460 0.8460 0.8690 0.8690 1.0895 1.0895 1.1138 1.1138 6.3807 6.3807 6.3827 6.3827 6.8755 6.8755 6.8789 6.8789 7.0231 7.0231 7.0270 7.0270 8.1373 8.1373 8.1410 8.1410 k = 0.4038 0.4993 0.3019 ( 9676 PWs) bands (ev): -15.9224 -15.9224 -15.9223 -15.9223 -14.4940 -14.4940 -14.4939 -14.4939 -13.2424 -13.2424 -13.2424 -13.2424 -12.7285 -12.7285 -12.7284 -12.7284 -9.9627 -9.9627 -9.9626 -9.9626 -8.4195 -8.4195 -8.4194 -8.4194 -4.9396 -4.9396 -4.9395 -4.9395 -4.5358 -4.5358 -4.5349 -4.5349 -4.2042 -4.2042 -4.2023 -4.2023 -3.2839 -3.2839 -3.2826 -3.2826 -2.7928 -2.7928 -2.7919 -2.7919 -0.7356 -0.7356 -0.7347 -0.7347 -0.6306 -0.6306 -0.6205 -0.6205 -0.3370 -0.3370 -0.3352 -0.3352 -0.3001 -0.3001 -0.2985 -0.2985 -0.0626 -0.0626 -0.0541 -0.0541 0.4494 0.4494 0.4677 0.4677 0.8475 0.8475 0.8709 0.8709 1.0961 1.0961 1.1206 1.1206 6.3840 6.3840 6.3862 6.3862 6.8978 6.8978 6.9012 6.9012 7.0179 7.0179 7.0218 7.0218 8.1236 8.1236 8.1274 8.1274 k = 0.4231 0.4993 0.3019 ( 9670 PWs) bands (ev): -15.9214 -15.9214 -15.9214 -15.9214 -14.4940 -14.4940 -14.4939 -14.4939 -13.2451 -13.2451 -13.2451 -13.2451 -12.7294 -12.7294 -12.7293 -12.7293 -9.9592 -9.9592 -9.9592 -9.9592 -8.4196 -8.4196 -8.4195 -8.4195 -4.9356 -4.9356 -4.9355 -4.9355 -4.5358 -4.5358 -4.5349 -4.5349 -4.2051 -4.2051 -4.2032 -4.2032 -3.2777 -3.2777 -3.2763 -3.2763 -2.7924 -2.7924 -2.7915 -2.7915 -0.7335 -0.7335 -0.7323 -0.7323 -0.6398 -0.6398 -0.6300 -0.6300 -0.3427 -0.3427 -0.3412 -0.3412 -0.3121 -0.3121 -0.3104 -0.3104 -0.0678 -0.0678 -0.0594 -0.0594 0.4538 0.4538 0.4724 0.4724 0.8487 0.8487 0.8724 0.8724 1.1016 1.1016 1.1262 1.1262 6.3868 6.3868 6.3892 6.3892 6.9180 6.9180 6.9213 6.9213 7.0124 7.0124 7.0163 7.0163 8.1117 8.1117 8.1157 8.1157 k = 0.4423 0.4993 0.3019 ( 9670 PWs) bands (ev): -15.9207 -15.9207 -15.9206 -15.9206 -14.4940 -14.4940 -14.4939 -14.4939 -13.2472 -13.2472 -13.2472 -13.2472 -12.7301 -12.7301 -12.7301 -12.7301 -9.9565 -9.9565 -9.9564 -9.9564 -8.4198 -8.4198 -8.4196 -8.4196 -4.9324 -4.9324 -4.9323 -4.9323 -4.5359 -4.5359 -4.5350 -4.5350 -4.2057 -4.2057 -4.2038 -4.2038 -3.2730 -3.2730 -3.2717 -3.2717 -2.7918 -2.7918 -2.7908 -2.7908 -0.7312 -0.7312 -0.7297 -0.7297 -0.6478 -0.6478 -0.6384 -0.6384 -0.3484 -0.3484 -0.3480 -0.3480 -0.3204 -0.3204 -0.3178 -0.3178 -0.0719 -0.0719 -0.0635 -0.0635 0.4573 0.4573 0.4761 0.4761 0.8497 0.8497 0.8736 0.8736 1.1059 1.1059 1.1307 1.1307 6.3891 6.3891 6.3916 6.3916 6.9357 6.9357 6.9389 6.9389 7.0066 7.0066 7.0106 7.0106 8.1021 8.1021 8.1062 8.1062 k = 0.4615 0.4993 0.3019 ( 9672 PWs) bands (ev): -15.9201 -15.9201 -15.9201 -15.9201 -14.4940 -14.4940 -14.4940 -14.4940 -13.2488 -13.2488 -13.2487 -13.2487 -12.7306 -12.7306 -12.7306 -12.7306 -9.9545 -9.9545 -9.9544 -9.9544 -8.4198 -8.4198 -8.4197 -8.4197 -4.9301 -4.9301 -4.9299 -4.9299 -4.5360 -4.5360 -4.5350 -4.5350 -4.2062 -4.2062 -4.2042 -4.2042 -3.2699 -3.2699 -3.2685 -3.2685 -2.7911 -2.7911 -2.7901 -2.7901 -0.7291 -0.7291 -0.7273 -0.7273 -0.6542 -0.6542 -0.6451 -0.6451 -0.3541 -0.3541 -0.3533 -0.3533 -0.3257 -0.3257 -0.3219 -0.3219 -0.0749 -0.0749 -0.0665 -0.0665 0.4599 0.4599 0.4789 0.4789 0.8504 0.8504 0.8745 0.8745 1.1091 1.1091 1.1338 1.1338 6.3908 6.3908 6.3935 6.3935 6.9504 6.9504 6.9535 6.9535 7.0006 7.0006 7.0048 7.0048 8.0949 8.0949 8.0991 8.0991 k = 0.4808 0.4993 0.3019 ( 9678 PWs) bands (ev): -15.9198 -15.9198 -15.9197 -15.9197 -14.4940 -14.4940 -14.4940 -14.4940 -13.2497 -13.2497 -13.2497 -13.2497 -12.7309 -12.7309 -12.7309 -12.7309 -9.9533 -9.9533 -9.9532 -9.9532 -8.4199 -8.4199 -8.4198 -8.4198 -4.9286 -4.9286 -4.9285 -4.9285 -4.5361 -4.5361 -4.5351 -4.5351 -4.2064 -4.2064 -4.2044 -4.2044 -3.2680 -3.2680 -3.2666 -3.2666 -2.7906 -2.7906 -2.7896 -2.7896 -0.7275 -0.7275 -0.7255 -0.7255 -0.6584 -0.6584 -0.6495 -0.6495 -0.3581 -0.3581 -0.3565 -0.3565 -0.3286 -0.3286 -0.3241 -0.3241 -0.0767 -0.0767 -0.0683 -0.0683 0.4615 0.4615 0.4805 0.4805 0.8508 0.8508 0.8750 0.8750 1.1110 1.1110 1.1358 1.1358 6.3919 6.3919 6.3946 6.3946 6.9614 6.9614 6.9642 6.9642 6.9950 6.9950 6.9994 6.9994 8.0905 8.0905 8.0947 8.0947 k = 0.5000 0.4993 0.3019 ( 9672 PWs) bands (ev): -15.9197 -15.9197 -15.9196 -15.9196 -14.4940 -14.4940 -14.4940 -14.4940 -13.2500 -13.2500 -13.2500 -13.2500 -12.7310 -12.7310 -12.7310 -12.7310 -9.9529 -9.9529 -9.9528 -9.9528 -8.4199 -8.4199 -8.4198 -8.4198 -4.9281 -4.9281 -4.9280 -4.9280 -4.5361 -4.5361 -4.5351 -4.5351 -4.2065 -4.2065 -4.2045 -4.2045 -3.2674 -3.2674 -3.2660 -3.2660 -2.7904 -2.7904 -2.7894 -2.7894 -0.7270 -0.7270 -0.7249 -0.7249 -0.6598 -0.6598 -0.6511 -0.6511 -0.3595 -0.3595 -0.3576 -0.3576 -0.3295 -0.3295 -0.3247 -0.3247 -0.0773 -0.0773 -0.0689 -0.0689 0.4620 0.4620 0.4811 0.4811 0.8510 0.8510 0.8752 0.8752 1.1116 1.1116 1.1364 1.1364 6.3922 6.3922 6.3950 6.3950 6.9660 6.9660 6.9686 6.9686 6.9922 6.9922 6.9969 6.9969 8.0890 8.0890 8.0932 8.0932 k = 0.5000 0.4993 0.3019 ( 9672 PWs) bands (ev): -15.9197 -15.9197 -15.9196 -15.9196 -14.4940 -14.4940 -14.4940 -14.4940 -13.2500 -13.2500 -13.2500 -13.2500 -12.7310 -12.7310 -12.7310 -12.7310 -9.9529 -9.9529 -9.9528 -9.9528 -8.4199 -8.4199 -8.4198 -8.4198 -4.9281 -4.9281 -4.9280 -4.9280 -4.5361 -4.5361 -4.5351 -4.5351 -4.2065 -4.2065 -4.2045 -4.2045 -3.2674 -3.2674 -3.2660 -3.2660 -2.7904 -2.7904 -2.7894 -2.7894 -0.7270 -0.7270 -0.7249 -0.7249 -0.6598 -0.6598 -0.6511 -0.6511 -0.3595 -0.3595 -0.3576 -0.3576 -0.3295 -0.3295 -0.3247 -0.3247 -0.0773 -0.0773 -0.0689 -0.0689 0.4620 0.4620 0.4811 0.4811 0.8510 0.8510 0.8752 0.8752 1.1116 1.1116 1.1364 1.1364 6.3922 6.3922 6.3950 6.3950 6.9660 6.9660 6.9686 6.9686 6.9922 6.9922 6.9969 6.9969 8.0890 8.0890 8.0932 8.0932 k = 0.5000 0.5094 0.2853 ( 9676 PWs) bands (ev): -15.9197 -15.9197 -15.9196 -15.9196 -14.4940 -14.4940 -14.4939 -14.4939 -13.2501 -13.2501 -13.2500 -13.2500 -12.7309 -12.7309 -12.7309 -12.7309 -9.9529 -9.9529 -9.9529 -9.9529 -8.4199 -8.4199 -8.4198 -8.4198 -4.9281 -4.9281 -4.9280 -4.9280 -4.5363 -4.5363 -4.5353 -4.5353 -4.2066 -4.2066 -4.2046 -4.2046 -3.2674 -3.2674 -3.2660 -3.2660 -2.7902 -2.7902 -2.7893 -2.7893 -0.7285 -0.7285 -0.7270 -0.7270 -0.6572 -0.6572 -0.6490 -0.6490 -0.3594 -0.3594 -0.3582 -0.3582 -0.3313 -0.3313 -0.3257 -0.3257 -0.0752 -0.0752 -0.0670 -0.0670 0.4619 0.4619 0.4809 0.4809 0.8510 0.8510 0.8752 0.8752 1.1113 1.1113 1.1361 1.1361 6.3913 6.3913 6.3941 6.3941 6.9630 6.9630 6.9649 6.9649 6.9962 6.9962 7.0002 7.0002 8.0890 8.0890 8.0933 8.0933 k = 0.5000 0.5194 0.2687 ( 9680 PWs) bands (ev): -15.9198 -15.9198 -15.9197 -15.9197 -14.4938 -14.4938 -14.4938 -14.4938 -13.2503 -13.2503 -13.2502 -13.2502 -12.7306 -12.7306 -12.7306 -12.7306 -9.9532 -9.9532 -9.9531 -9.9531 -8.4199 -8.4199 -8.4198 -8.4198 -4.9280 -4.9280 -4.9279 -4.9279 -4.5369 -4.5369 -4.5359 -4.5359 -4.2070 -4.2070 -4.2050 -4.2050 -3.2674 -3.2674 -3.2660 -3.2660 -2.7898 -2.7898 -2.7888 -2.7888 -0.7328 -0.7328 -0.7323 -0.7323 -0.6504 -0.6504 -0.6432 -0.6432 -0.3604 -0.3604 -0.3594 -0.3594 -0.3362 -0.3362 -0.3280 -0.3280 -0.0691 -0.0691 -0.0613 -0.0613 0.4615 0.4615 0.4804 0.4804 0.8511 0.8511 0.8752 0.8752 1.1104 1.1104 1.1351 1.1351 6.3886 6.3886 6.3913 6.3913 6.9564 6.9564 6.9574 6.9574 7.0046 7.0046 7.0078 7.0078 8.0892 8.0892 8.0934 8.0934 k = 0.5000 0.5295 0.2521 ( 9676 PWs) bands (ev): -15.9200 -15.9200 -15.9199 -15.9199 -14.4936 -14.4936 -14.4935 -14.4935 -13.2506 -13.2506 -13.2505 -13.2505 -12.7301 -12.7301 -12.7300 -12.7300 -9.9535 -9.9535 -9.9535 -9.9535 -8.4200 -8.4200 -8.4199 -8.4199 -4.9278 -4.9278 -4.9277 -4.9277 -4.5379 -4.5379 -4.5368 -4.5368 -4.2076 -4.2076 -4.2056 -4.2056 -3.2674 -3.2674 -3.2660 -3.2660 -2.7891 -2.7891 -2.7881 -2.7881 -0.7394 -0.7394 -0.7387 -0.7387 -0.6407 -0.6407 -0.6346 -0.6346 -0.3650 -0.3650 -0.3606 -0.3606 -0.3425 -0.3425 -0.3305 -0.3305 -0.0595 -0.0595 -0.0524 -0.0524 0.4608 0.4608 0.4795 0.4795 0.8511 0.8511 0.8753 0.8753 1.1090 1.1090 1.1336 1.1336 6.3843 6.3843 6.3870 6.3870 6.9487 6.9487 6.9493 6.9493 7.0141 7.0141 7.0169 7.0169 8.0895 8.0895 8.0938 8.0938 k = 0.5000 0.5395 0.2355 ( 9664 PWs) bands (ev): -15.9202 -15.9202 -15.9201 -15.9201 -14.4932 -14.4932 -14.4931 -14.4931 -13.2510 -13.2510 -13.2509 -13.2509 -12.7293 -12.7293 -12.7293 -12.7293 -9.9540 -9.9540 -9.9539 -9.9539 -8.4201 -8.4201 -8.4199 -8.4199 -4.9276 -4.9276 -4.9275 -4.9275 -4.5392 -4.5392 -4.5382 -4.5382 -4.2084 -4.2084 -4.2064 -4.2064 -3.2674 -3.2674 -3.2660 -3.2660 -2.7881 -2.7881 -2.7871 -2.7871 -0.7471 -0.7471 -0.7452 -0.7452 -0.6295 -0.6295 -0.6244 -0.6244 -0.3725 -0.3725 -0.3659 -0.3659 -0.3464 -0.3464 -0.3318 -0.3318 -0.0474 -0.0474 -0.0410 -0.0410 0.4598 0.4598 0.4783 0.4783 0.8511 0.8511 0.8753 0.8753 1.1070 1.1070 1.1315 1.1315 6.3786 6.3786 6.3813 6.3813 6.9411 6.9411 6.9415 6.9415 7.0234 7.0234 7.0260 7.0260 8.0900 8.0900 8.0944 8.0944 k = 0.5000 0.5496 0.2189 ( 9658 PWs) bands (ev): -15.9205 -15.9205 -15.9204 -15.9204 -14.4927 -14.4927 -14.4927 -14.4927 -13.2515 -13.2515 -13.2514 -13.2514 -12.7284 -12.7284 -12.7284 -12.7284 -9.9546 -9.9546 -9.9546 -9.9546 -8.4201 -8.4201 -8.4200 -8.4200 -4.9273 -4.9273 -4.9272 -4.9272 -4.5409 -4.5409 -4.5399 -4.5399 -4.2094 -4.2094 -4.2074 -4.2074 -3.2675 -3.2675 -3.2661 -3.2661 -2.7869 -2.7869 -2.7859 -2.7859 -0.7548 -0.7548 -0.7519 -0.7519 -0.6175 -0.6175 -0.6131 -0.6131 -0.3827 -0.3827 -0.3762 -0.3762 -0.3463 -0.3463 -0.3315 -0.3315 -0.0333 -0.0333 -0.0277 -0.0277 0.4586 0.4586 0.4767 0.4767 0.8511 0.8511 0.8753 0.8753 1.1045 1.1045 1.1288 1.1288 6.3719 6.3719 6.3746 6.3746 6.9338 6.9338 6.9341 6.9341 7.0321 7.0321 7.0346 7.0346 8.0909 8.0909 8.0954 8.0954 k = 0.5000 0.5596 0.2023 ( 9670 PWs) bands (ev): -15.9209 -15.9209 -15.9208 -15.9208 -14.4922 -14.4922 -14.4921 -14.4921 -13.2521 -13.2521 -13.2520 -13.2520 -12.7273 -12.7273 -12.7273 -12.7273 -9.9554 -9.9554 -9.9553 -9.9553 -8.4203 -8.4203 -8.4202 -8.4202 -4.9270 -4.9270 -4.9268 -4.9268 -4.5430 -4.5430 -4.5419 -4.5419 -4.2106 -4.2106 -4.2086 -4.2086 -3.2675 -3.2675 -3.2661 -3.2661 -2.7855 -2.7855 -2.7844 -2.7844 -0.7619 -0.7619 -0.7581 -0.7581 -0.6052 -0.6052 -0.6012 -0.6012 -0.3948 -0.3948 -0.3890 -0.3890 -0.3441 -0.3441 -0.3300 -0.3300 -0.0180 -0.0180 -0.0131 -0.0131 0.4571 0.4571 0.4748 0.4748 0.8510 0.8510 0.8751 0.8751 1.1017 1.1017 1.1257 1.1257 6.3645 6.3645 6.3672 6.3672 6.9270 6.9270 6.9272 6.9272 7.0395 7.0395 7.0420 7.0420 8.0923 8.0923 8.0968 8.0968 k = 0.5000 0.5696 0.1857 ( 9680 PWs) bands (ev): -15.9213 -15.9213 -15.9212 -15.9212 -14.4915 -14.4915 -14.4914 -14.4914 -13.2528 -13.2528 -13.2527 -13.2527 -12.7261 -12.7261 -12.7261 -12.7261 -9.9562 -9.9562 -9.9562 -9.9562 -8.4205 -8.4205 -8.4203 -8.4203 -4.9266 -4.9266 -4.9265 -4.9265 -4.5453 -4.5453 -4.5442 -4.5442 -4.2119 -4.2119 -4.2099 -4.2099 -3.2676 -3.2676 -3.2662 -3.2662 -2.7840 -2.7840 -2.7828 -2.7828 -0.7683 -0.7683 -0.7638 -0.7638 -0.5929 -0.5929 -0.5890 -0.5890 -0.4079 -0.4079 -0.4026 -0.4026 -0.3408 -0.3408 -0.3275 -0.3275 -0.0020 -0.0020 0.0024 0.0024 0.4552 0.4552 0.4725 0.4725 0.8507 0.8507 0.8748 0.8748 1.0984 1.0984 1.1221 1.1221 6.3569 6.3569 6.3596 6.3596 6.9206 6.9206 6.9208 6.9208 7.0453 7.0453 7.0477 7.0477 8.0943 8.0943 8.0988 8.0988 k = 0.5000 0.5797 0.1691 ( 9674 PWs) bands (ev): -15.9218 -15.9218 -15.9217 -15.9217 -14.4907 -14.4907 -14.4907 -14.4907 -13.2535 -13.2535 -13.2535 -13.2535 -12.7248 -12.7248 -12.7247 -12.7247 -9.9572 -9.9572 -9.9571 -9.9571 -8.4207 -8.4207 -8.4206 -8.4206 -4.9262 -4.9262 -4.9260 -4.9260 -4.5478 -4.5478 -4.5468 -4.5468 -4.2133 -4.2133 -4.2113 -4.2113 -3.2677 -3.2677 -3.2664 -3.2664 -2.7823 -2.7823 -2.7811 -2.7811 -0.7739 -0.7739 -0.7686 -0.7686 -0.5811 -0.5811 -0.5769 -0.5769 -0.4214 -0.4214 -0.4161 -0.4161 -0.3367 -0.3367 -0.3243 -0.3243 0.0143 0.0143 0.0182 0.0182 0.4530 0.4530 0.4697 0.4697 0.8503 0.8503 0.8744 0.8744 1.0949 1.0949 1.1183 1.1183 6.3495 6.3495 6.3521 6.3521 6.9148 6.9148 6.9149 6.9149 7.0492 7.0492 7.0516 7.0516 8.0968 8.0968 8.1014 8.1014 k = 0.5000 0.5797 0.1691 ( 9674 PWs) bands (ev): -15.9218 -15.9218 -15.9217 -15.9217 -14.4907 -14.4907 -14.4907 -14.4907 -13.2535 -13.2535 -13.2535 -13.2535 -12.7248 -12.7248 -12.7247 -12.7247 -9.9572 -9.9572 -9.9571 -9.9571 -8.4207 -8.4207 -8.4206 -8.4206 -4.9262 -4.9262 -4.9260 -4.9260 -4.5478 -4.5478 -4.5468 -4.5468 -4.2133 -4.2133 -4.2113 -4.2113 -3.2677 -3.2677 -3.2664 -3.2664 -2.7823 -2.7823 -2.7811 -2.7811 -0.7739 -0.7739 -0.7686 -0.7686 -0.5811 -0.5811 -0.5769 -0.5769 -0.4214 -0.4214 -0.4161 -0.4161 -0.3367 -0.3367 -0.3243 -0.3243 0.0143 0.0143 0.0182 0.0182 0.4530 0.4530 0.4697 0.4697 0.8503 0.8503 0.8744 0.8744 1.0949 1.0949 1.1183 1.1183 6.3495 6.3495 6.3521 6.3521 6.9148 6.9148 6.9149 6.9149 7.0492 7.0492 7.0516 7.0516 8.0968 8.0968 8.1014 8.1014 k = 0.5000 0.5747 0.1502 ( 9670 PWs) bands (ev): -15.9216 -15.9216 -15.9215 -15.9215 -14.4913 -14.4913 -14.4912 -14.4912 -13.2533 -13.2533 -13.2533 -13.2533 -12.7246 -12.7246 -12.7246 -12.7246 -9.9569 -9.9569 -9.9569 -9.9569 -8.4208 -8.4208 -8.4207 -8.4207 -4.9274 -4.9274 -4.9273 -4.9273 -4.5487 -4.5487 -4.5477 -4.5477 -4.2118 -4.2118 -4.2099 -4.2099 -3.2663 -3.2663 -3.2650 -3.2650 -2.7834 -2.7834 -2.7822 -2.7822 -0.7755 -0.7755 -0.7691 -0.7691 -0.5772 -0.5772 -0.5768 -0.5768 -0.4333 -0.4333 -0.4322 -0.4322 -0.3373 -0.3373 -0.3269 -0.3269 0.0337 0.0337 0.0379 0.0379 0.4523 0.4523 0.4688 0.4688 0.8501 0.8501 0.8740 0.8740 1.0950 1.0950 1.1180 1.1180 6.3474 6.3474 6.3499 6.3499 6.9150 6.9150 6.9151 6.9151 7.0484 7.0484 7.0506 7.0506 8.0932 8.0932 8.0977 8.0977 k = 0.5000 0.5696 0.1313 ( 9670 PWs) bands (ev): -15.9214 -15.9214 -15.9213 -15.9213 -14.4918 -14.4918 -14.4917 -14.4917 -13.2532 -13.2532 -13.2531 -13.2531 -12.7245 -12.7245 -12.7244 -12.7244 -9.9567 -9.9567 -9.9567 -9.9567 -8.4209 -8.4209 -8.4208 -8.4208 -4.9287 -4.9287 -4.9285 -4.9285 -4.5498 -4.5498 -4.5488 -4.5488 -4.2101 -4.2101 -4.2083 -4.2083 -3.2648 -3.2648 -3.2636 -3.2636 -2.7845 -2.7845 -2.7834 -2.7834 -0.7771 -0.7771 -0.7697 -0.7697 -0.5777 -0.5777 -0.5739 -0.5739 -0.4470 -0.4470 -0.4438 -0.4438 -0.3379 -0.3379 -0.3291 -0.3291 0.0536 0.0536 0.0582 0.0582 0.4511 0.4511 0.4673 0.4673 0.8501 0.8501 0.8736 0.8736 1.0949 1.0949 1.1174 1.1174 6.3455 6.3455 6.3480 6.3480 6.9150 6.9150 6.9151 6.9151 7.0472 7.0472 7.0493 7.0493 8.0887 8.0887 8.0931 8.0931 k = 0.5000 0.5646 0.1125 ( 9674 PWs) bands (ev): -15.9212 -15.9212 -15.9211 -15.9211 -14.4922 -14.4922 -14.4922 -14.4922 -13.2530 -13.2530 -13.2529 -13.2529 -12.7243 -12.7243 -12.7242 -12.7242 -9.9566 -9.9566 -9.9565 -9.9565 -8.4211 -8.4211 -8.4210 -8.4210 -4.9300 -4.9300 -4.9299 -4.9299 -4.5510 -4.5510 -4.5500 -4.5500 -4.2084 -4.2084 -4.2067 -4.2067 -3.2632 -3.2632 -3.2620 -3.2620 -2.7857 -2.7857 -2.7846 -2.7846 -0.7786 -0.7786 -0.7703 -0.7703 -0.5800 -0.5800 -0.5716 -0.5716 -0.4599 -0.4599 -0.4523 -0.4523 -0.3387 -0.3387 -0.3313 -0.3313 0.0741 0.0741 0.0789 0.0789 0.4493 0.4493 0.4651 0.4651 0.8502 0.8502 0.8733 0.8733 1.0946 1.0946 1.1165 1.1165 6.3439 6.3439 6.3462 6.3462 6.9149 6.9149 6.9150 6.9150 7.0457 7.0457 7.0476 7.0476 8.0835 8.0835 8.0877 8.0877 k = 0.5000 0.5596 0.0936 ( 9668 PWs) bands (ev): -15.9211 -15.9211 -15.9210 -15.9210 -14.4927 -14.4927 -14.4926 -14.4926 -13.2528 -13.2528 -13.2528 -13.2528 -12.7241 -12.7241 -12.7240 -12.7240 -9.9565 -9.9565 -9.9564 -9.9564 -8.4214 -8.4214 -8.4213 -8.4213 -4.9313 -4.9313 -4.9312 -4.9312 -4.5522 -4.5522 -4.5514 -4.5514 -4.2067 -4.2067 -4.2050 -4.2050 -3.2615 -3.2615 -3.2604 -3.2604 -2.7870 -2.7870 -2.7859 -2.7859 -0.7801 -0.7801 -0.7710 -0.7710 -0.5839 -0.5839 -0.5712 -0.5712 -0.4701 -0.4701 -0.4584 -0.4584 -0.3395 -0.3395 -0.3335 -0.3335 0.0948 0.0948 0.1001 0.1001 0.4468 0.4468 0.4623 0.4623 0.8505 0.8505 0.8728 0.8728 1.0942 1.0942 1.1153 1.1153 6.3425 6.3425 6.3446 6.3446 6.9147 6.9147 6.9147 6.9147 7.0439 7.0439 7.0457 7.0457 8.0777 8.0777 8.0816 8.0816 k = 0.5000 0.5546 0.0747 ( 9670 PWs) bands (ev): -15.9210 -15.9210 -15.9209 -15.9209 -14.4931 -14.4931 -14.4930 -14.4930 -13.2526 -13.2526 -13.2526 -13.2526 -12.7238 -12.7238 -12.7238 -12.7238 -9.9563 -9.9563 -9.9563 -9.9563 -8.4217 -8.4217 -8.4216 -8.4216 -4.9326 -4.9326 -4.9325 -4.9325 -4.5536 -4.5536 -4.5528 -4.5528 -4.2049 -4.2049 -4.2033 -4.2033 -3.2598 -3.2598 -3.2587 -3.2587 -2.7882 -2.7882 -2.7872 -2.7872 -0.7814 -0.7814 -0.7718 -0.7718 -0.5893 -0.5893 -0.5732 -0.5732 -0.4768 -0.4768 -0.4621 -0.4621 -0.3406 -0.3406 -0.3357 -0.3357 0.1157 0.1157 0.1214 0.1214 0.4436 0.4436 0.4587 0.4587 0.8508 0.8508 0.8724 0.8724 1.0938 1.0938 1.1140 1.1140 6.3413 6.3413 6.3433 6.3433 6.9143 6.9143 6.9144 6.9144 7.0420 7.0420 7.0436 7.0436 8.0715 8.0715 8.0752 8.0752 k = 0.5000 0.5496 0.0558 ( 9666 PWs) bands (ev): -15.9209 -15.9209 -15.9208 -15.9208 -14.4935 -14.4935 -14.4934 -14.4934 -13.2525 -13.2525 -13.2524 -13.2524 -12.7235 -12.7235 -12.7235 -12.7235 -9.9563 -9.9563 -9.9562 -9.9562 -8.4220 -8.4220 -8.4219 -8.4219 -4.9339 -4.9339 -4.9338 -4.9338 -4.5550 -4.5550 -4.5542 -4.5542 -4.2032 -4.2032 -4.2017 -4.2017 -3.2580 -3.2580 -3.2570 -3.2570 -2.7895 -2.7895 -2.7885 -2.7885 -0.7825 -0.7825 -0.7725 -0.7725 -0.5960 -0.5960 -0.5778 -0.5778 -0.4800 -0.4800 -0.4635 -0.4635 -0.3419 -0.3419 -0.3380 -0.3380 0.1366 0.1366 0.1427 0.1427 0.4396 0.4396 0.4542 0.4542 0.8513 0.8513 0.8718 0.8718 1.0934 1.0934 1.1125 1.1125 6.3403 6.3403 6.3422 6.3422 6.9138 6.9138 6.9139 6.9139 7.0399 7.0399 7.0414 7.0414 8.0651 8.0651 8.0686 8.0686 k = 0.5000 0.5445 0.0370 ( 9664 PWs) bands (ev): -15.9208 -15.9208 -15.9207 -15.9207 -14.4938 -14.4938 -14.4938 -14.4938 -13.2523 -13.2523 -13.2523 -13.2523 -12.7233 -12.7233 -12.7232 -12.7232 -9.9562 -9.9562 -9.9562 -9.9562 -8.4223 -8.4223 -8.4222 -8.4222 -4.9352 -4.9352 -4.9351 -4.9351 -4.5563 -4.5563 -4.5556 -4.5556 -4.2015 -4.2015 -4.2001 -4.2001 -3.2562 -3.2562 -3.2553 -3.2553 -2.7907 -2.7907 -2.7898 -2.7898 -0.7834 -0.7834 -0.7732 -0.7732 -0.6035 -0.6035 -0.5846 -0.5846 -0.4801 -0.4801 -0.4632 -0.4632 -0.3434 -0.3434 -0.3404 -0.3404 0.1574 0.1574 0.1640 0.1640 0.4347 0.4347 0.4489 0.4489 0.8519 0.8519 0.8711 0.8711 1.0930 1.0930 1.1108 1.1108 6.3395 6.3395 6.3412 6.3412 6.9132 6.9132 6.9134 6.9134 7.0378 7.0378 7.0391 7.0391 8.0587 8.0587 8.0619 8.0619 k = 0.5000 0.5395 0.0181 ( 9672 PWs) bands (ev): -15.9207 -15.9207 -15.9206 -15.9206 -14.4941 -14.4941 -14.4941 -14.4941 -13.2521 -13.2521 -13.2521 -13.2521 -12.7230 -12.7230 -12.7230 -12.7230 -9.9562 -9.9562 -9.9561 -9.9561 -8.4226 -8.4226 -8.4226 -8.4226 -4.9364 -4.9364 -4.9363 -4.9363 -4.5576 -4.5576 -4.5570 -4.5570 -4.1999 -4.1999 -4.1987 -4.1987 -3.2545 -3.2545 -3.2537 -3.2537 -2.7918 -2.7918 -2.7911 -2.7911 -0.7840 -0.7840 -0.7739 -0.7739 -0.6113 -0.6113 -0.5928 -0.5928 -0.4779 -0.4779 -0.4616 -0.4616 -0.3451 -0.3451 -0.3429 -0.3429 0.1781 0.1781 0.1850 0.1850 0.4290 0.4290 0.4427 0.4427 0.8526 0.8526 0.8703 0.8703 1.0927 1.0927 1.1090 1.1090 6.3389 6.3389 6.3404 6.3404 6.9126 6.9126 6.9127 6.9127 7.0356 7.0356 7.0368 7.0368 8.0525 8.0525 8.0554 8.0554 k = 0.5000 0.5345-0.0008 ( 9680 PWs) bands (ev): -15.9206 -15.9206 -15.9205 -15.9205 -14.4944 -14.4944 -14.4943 -14.4943 -13.2520 -13.2520 -13.2520 -13.2520 -12.7228 -12.7228 -12.7227 -12.7227 -9.9561 -9.9561 -9.9561 -9.9561 -8.4230 -8.4230 -8.4229 -8.4229 -4.9375 -4.9375 -4.9374 -4.9374 -4.5588 -4.5588 -4.5583 -4.5583 -4.1984 -4.1984 -4.1973 -4.1973 -3.2529 -3.2529 -3.2522 -3.2522 -2.7929 -2.7929 -2.7922 -2.7922 -0.7843 -0.7843 -0.7745 -0.7745 -0.6189 -0.6189 -0.6015 -0.6015 -0.4743 -0.4743 -0.4592 -0.4592 -0.3469 -0.3469 -0.3455 -0.3455 0.1983 0.1983 0.2056 0.2056 0.4223 0.4223 0.4355 0.4355 0.8534 0.8534 0.8695 0.8695 1.0925 1.0925 1.1072 1.1072 6.3384 6.3384 6.3398 6.3398 6.9119 6.9119 6.9121 6.9121 7.0336 7.0336 7.0346 7.0346 8.0466 8.0466 8.0492 8.0492 k = 0.5000 0.5295-0.0196 ( 9672 PWs) bands (ev): -15.9206 -15.9206 -15.9205 -15.9205 -14.4946 -14.4946 -14.4946 -14.4946 -13.2519 -13.2519 -13.2518 -13.2518 -12.7225 -12.7225 -12.7225 -12.7225 -9.9561 -9.9561 -9.9561 -9.9561 -8.4233 -8.4233 -8.4232 -8.4232 -4.9385 -4.9385 -4.9384 -4.9384 -4.5599 -4.5599 -4.5594 -4.5594 -4.1970 -4.1970 -4.1961 -4.1961 -3.2515 -3.2515 -3.2508 -3.2508 -2.7939 -2.7939 -2.7933 -2.7933 -0.7844 -0.7844 -0.7752 -0.7752 -0.6260 -0.6260 -0.6102 -0.6102 -0.4698 -0.4698 -0.4564 -0.4564 -0.3488 -0.3488 -0.3480 -0.3480 0.2180 0.2180 0.2256 0.2256 0.4147 0.4147 0.4274 0.4274 0.8543 0.8543 0.8685 0.8685 1.0924 1.0924 1.1054 1.1054 6.3381 6.3381 6.3392 6.3392 6.9112 6.9112 6.9114 6.9114 7.0316 7.0316 7.0325 7.0325 8.0412 8.0412 8.0434 8.0434 k = 0.5000 0.5245-0.0385 ( 9660 PWs) bands (ev): -15.9205 -15.9205 -15.9204 -15.9204 -14.4948 -14.4948 -14.4948 -14.4948 -13.2518 -13.2518 -13.2517 -13.2517 -12.7223 -12.7223 -12.7223 -12.7223 -9.9561 -9.9561 -9.9561 -9.9561 -8.4235 -8.4235 -8.4235 -8.4235 -4.9394 -4.9394 -4.9393 -4.9393 -4.5609 -4.5609 -4.5605 -4.5605 -4.1958 -4.1958 -4.1950 -4.1950 -3.2502 -3.2502 -3.2496 -3.2496 -2.7947 -2.7947 -2.7942 -2.7942 -0.7842 -0.7842 -0.7759 -0.7759 -0.6321 -0.6321 -0.6184 -0.6184 -0.4651 -0.4651 -0.4535 -0.4535 -0.3508 -0.3508 -0.3504 -0.3504 0.2370 0.2370 0.2449 0.2449 0.4064 0.4064 0.4184 0.4184 0.8553 0.8553 0.8675 0.8675 1.0925 1.0925 1.1036 1.1036 6.3378 6.3378 6.3388 6.3388 6.9106 6.9106 6.9107 6.9107 7.0299 7.0299 7.0306 7.0306 8.0364 8.0364 8.0383 8.0383 k = 0.5000 0.5194-0.0574 ( 9666 PWs) bands (ev): -15.9205 -15.9205 -15.9204 -15.9204 -14.4950 -14.4950 -14.4949 -14.4949 -13.2517 -13.2517 -13.2516 -13.2516 -12.7221 -12.7221 -12.7221 -12.7221 -9.9561 -9.9561 -9.9561 -9.9561 -8.4238 -8.4238 -8.4237 -8.4237 -4.9401 -4.9401 -4.9401 -4.9401 -4.5617 -4.5617 -4.5614 -4.5614 -4.1948 -4.1948 -4.1941 -4.1941 -3.2490 -3.2490 -3.2486 -3.2486 -2.7954 -2.7954 -2.7950 -2.7950 -0.7837 -0.7837 -0.7766 -0.7766 -0.6371 -0.6371 -0.6257 -0.6257 -0.4605 -0.4605 -0.4510 -0.4510 -0.3527 -0.3527 -0.3526 -0.3526 0.2551 0.2551 0.2630 0.2630 0.3974 0.3974 0.4086 0.4086 0.8564 0.8564 0.8663 0.8663 1.0928 1.0928 1.1019 1.1019 6.3377 6.3377 6.3385 6.3385 6.9100 6.9100 6.9101 6.9101 7.0285 7.0285 7.0290 7.0290 8.0323 8.0323 8.0339 8.0339 k = 0.5000 0.5144-0.0763 ( 9670 PWs) bands (ev): -15.9205 -15.9205 -15.9204 -15.9204 -14.4951 -14.4951 -14.4951 -14.4951 -13.2516 -13.2516 -13.2516 -13.2516 -12.7220 -12.7220 -12.7220 -12.7220 -9.9561 -9.9561 -9.9560 -9.9560 -8.4239 -8.4239 -8.4239 -8.4239 -4.9407 -4.9407 -4.9406 -4.9406 -4.5623 -4.5623 -4.5621 -4.5621 -4.1939 -4.1939 -4.1934 -4.1934 -3.2481 -3.2481 -3.2478 -3.2478 -2.7960 -2.7960 -2.7957 -2.7957 -0.7830 -0.7830 -0.7774 -0.7774 -0.6409 -0.6409 -0.6320 -0.6320 -0.4563 -0.4563 -0.4489 -0.4489 -0.3545 -0.3545 -0.3543 -0.3543 0.2718 0.2718 0.2794 0.2794 0.3883 0.3883 0.3984 0.3984 0.8576 0.8576 0.8651 0.8651 1.0933 1.0933 1.1002 1.1002 6.3376 6.3376 6.3382 6.3382 6.9095 6.9095 6.9096 6.9096 7.0273 7.0273 7.0277 7.0277 8.0291 8.0291 8.0303 8.0303 k = 0.5000 0.5094-0.0951 ( 9666 PWs) bands (ev): -15.9205 -15.9205 -15.9204 -15.9204 -14.4952 -14.4952 -14.4952 -14.4952 -13.2516 -13.2516 -13.2515 -13.2515 -12.7219 -12.7219 -12.7219 -12.7219 -9.9561 -9.9561 -9.9560 -9.9560 -8.4241 -8.4241 -8.4241 -8.4241 -4.9412 -4.9412 -4.9411 -4.9411 -4.5628 -4.5628 -4.5626 -4.5626 -4.1933 -4.1933 -4.1930 -4.1930 -3.2474 -3.2474 -3.2472 -3.2472 -2.7964 -2.7964 -2.7962 -2.7962 -0.7822 -0.7822 -0.7783 -0.7783 -0.6431 -0.6431 -0.6371 -0.6371 -0.4527 -0.4527 -0.4477 -0.4477 -0.3559 -0.3559 -0.3557 -0.3557 0.2865 0.2865 0.2931 0.2931 0.3800 0.3800 0.3883 0.3883 0.8588 0.8588 0.8639 0.8639 1.0940 1.0940 1.0987 1.0987 6.3376 6.3376 6.3380 6.3380 6.9091 6.9091 6.9092 6.9092 7.0264 7.0264 7.0267 7.0267 8.0268 8.0268 8.0276 8.0276 k = 0.5000 0.5044-0.1140 ( 9666 PWs) bands (ev): -15.9205 -15.9205 -15.9204 -15.9204 -14.4953 -14.4953 -14.4952 -14.4952 -13.2515 -13.2515 -13.2515 -13.2515 -12.7218 -12.7218 -12.7218 -12.7218 -9.9561 -9.9561 -9.9561 -9.9561 -8.4242 -8.4242 -8.4241 -8.4241 -4.9414 -4.9414 -4.9413 -4.9413 -4.5631 -4.5631 -4.5629 -4.5629 -4.1929 -4.1929 -4.1927 -4.1927 -3.2470 -3.2470 -3.2469 -3.2469 -2.7966 -2.7966 -2.7965 -2.7965 -0.7813 -0.7813 -0.7793 -0.7793 -0.6439 -0.6439 -0.6409 -0.6409 -0.4499 -0.4499 -0.4474 -0.4474 -0.3568 -0.3568 -0.3566 -0.3566 0.2980 0.2980 0.3021 0.3021 0.3744 0.3744 0.3794 0.3794 0.8600 0.8600 0.8626 0.8626 1.0949 1.0949 1.0973 1.0973 6.3377 6.3377 6.3379 6.3379 6.9089 6.9089 6.9089 6.9089 7.0259 7.0259 7.0261 7.0261 8.0255 8.0255 8.0259 8.0259 k = 0.5000 0.4993-0.1329 ( 9668 PWs) bands (ev): -15.9205 -15.9205 -15.9204 -15.9204 -14.4953 -14.4953 -14.4952 -14.4952 -13.2515 -13.2515 -13.2515 -13.2515 -12.7218 -12.7218 -12.7218 -12.7218 -9.9561 -9.9561 -9.9561 -9.9561 -8.4242 -8.4242 -8.4242 -8.4242 -4.9415 -4.9415 -4.9414 -4.9414 -4.5632 -4.5632 -4.5631 -4.5631 -4.1927 -4.1927 -4.1927 -4.1927 -3.2468 -3.2468 -3.2468 -3.2468 -2.7967 -2.7967 -2.7966 -2.7966 -0.7803 -0.7803 -0.7803 -0.7803 -0.6432 -0.6432 -0.6431 -0.6431 -0.4481 -0.4481 -0.4481 -0.4481 -0.3570 -0.3570 -0.3570 -0.3570 0.3039 0.3039 0.3039 0.3039 0.3741 0.3741 0.3741 0.3741 0.8613 0.8613 0.8614 0.8614 1.0960 1.0960 1.0960 1.0960 6.3377 6.3377 6.3378 6.3378 6.9088 6.9088 6.9089 6.9089 7.0258 7.0258 7.0259 7.0259 8.0252 8.0252 8.0252 8.0252 k = 0.5000 0.4993-0.1329 ( 9668 PWs) bands (ev): -15.9205 -15.9205 -15.9204 -15.9204 -14.4953 -14.4953 -14.4952 -14.4952 -13.2515 -13.2515 -13.2515 -13.2515 -12.7218 -12.7218 -12.7218 -12.7218 -9.9561 -9.9561 -9.9561 -9.9561 -8.4242 -8.4242 -8.4242 -8.4242 -4.9415 -4.9415 -4.9414 -4.9414 -4.5632 -4.5632 -4.5631 -4.5631 -4.1927 -4.1927 -4.1927 -4.1927 -3.2468 -3.2468 -3.2468 -3.2468 -2.7967 -2.7967 -2.7966 -2.7966 -0.7803 -0.7803 -0.7803 -0.7803 -0.6432 -0.6432 -0.6431 -0.6431 -0.4481 -0.4481 -0.4481 -0.4481 -0.3570 -0.3570 -0.3570 -0.3570 0.3039 0.3039 0.3039 0.3039 0.3741 0.3741 0.3741 0.3741 0.8613 0.8613 0.8614 0.8614 1.0960 1.0960 1.0960 1.0960 6.3377 6.3377 6.3378 6.3378 6.9088 6.9088 6.9089 6.9089 7.0258 7.0258 7.0259 7.0259 8.0252 8.0252 8.0252 8.0252 k = 0.4808 0.4993-0.1329 ( 9666 PWs) bands (ev): -15.9236 -15.9236 -15.9174 -15.9174 -14.5010 -14.5010 -14.4895 -14.4895 -13.2520 -13.2520 -13.2503 -13.2503 -12.7250 -12.7250 -12.7184 -12.7184 -9.9631 -9.9631 -9.9498 -9.9498 -8.4274 -8.4274 -8.4209 -8.4209 -4.9451 -4.9451 -4.9385 -4.9385 -4.5724 -4.5724 -4.5538 -4.5538 -4.2042 -4.2042 -4.1810 -4.1810 -3.2638 -3.2638 -3.2313 -3.2313 -2.8004 -2.8004 -2.7934 -2.7934 -0.7939 -0.7939 -0.7667 -0.7667 -0.6502 -0.6502 -0.6339 -0.6339 -0.4510 -0.4510 -0.4444 -0.4444 -0.3570 -0.3570 -0.3532 -0.3532 0.3015 0.3015 0.3059 0.3059 0.3698 0.3698 0.3785 0.3785 0.8592 0.8592 0.8627 0.8627 1.0939 1.0939 1.0971 1.0971 6.3225 6.3225 6.3541 6.3541 6.8843 6.8843 6.9303 6.9303 7.0078 7.0078 7.0412 7.0412 8.0191 8.0191 8.0354 8.0354 k = 0.4615 0.4993-0.1329 ( 9660 PWs) bands (ev): -15.9270 -15.9270 -15.9147 -15.9147 -14.5067 -14.5067 -14.4837 -14.4837 -13.2519 -13.2519 -13.2485 -13.2485 -12.7281 -12.7281 -12.7149 -12.7149 -9.9709 -9.9709 -9.9443 -9.9443 -8.4305 -8.4305 -8.4176 -8.4176 -4.9493 -4.9493 -4.9362 -4.9362 -4.5817 -4.5817 -4.5446 -4.5446 -4.2154 -4.2154 -4.1692 -4.1692 -3.2823 -3.2823 -3.2174 -3.2174 -2.8045 -2.8045 -2.7908 -2.7908 -0.8074 -0.8074 -0.7536 -0.7536 -0.6551 -0.6551 -0.6224 -0.6224 -0.4537 -0.4537 -0.4393 -0.4393 -0.3529 -0.3529 -0.3460 -0.3460 0.2988 0.2988 0.3075 0.3075 0.3658 0.3658 0.3832 0.3832 0.8563 0.8563 0.8634 0.8634 1.0907 1.0907 1.0971 1.0971 6.3084 6.3084 6.3715 6.3715 6.8573 6.8573 6.9476 6.9476 6.9875 6.9875 7.0539 7.0539 8.0175 8.0175 8.0491 8.0491 k = 0.4423 0.4993-0.1329 ( 9668 PWs) bands (ev): -15.9306 -15.9306 -15.9121 -15.9121 -14.5124 -14.5124 -14.4780 -14.4780 -13.2512 -13.2512 -13.2461 -13.2461 -12.7310 -12.7310 -12.7113 -12.7113 -9.9794 -9.9794 -9.9396 -9.9396 -8.4336 -8.4336 -8.4143 -8.4143 -4.9541 -4.9541 -4.9347 -4.9347 -4.5910 -4.5910 -4.5355 -4.5355 -4.2263 -4.2263 -4.1574 -4.1574 -3.3022 -3.3022 -3.2054 -3.2054 -2.8087 -2.8087 -2.7890 -2.7890 -0.8204 -0.8204 -0.7415 -0.7415 -0.6578 -0.6578 -0.6087 -0.6087 -0.4566 -0.4566 -0.4321 -0.4321 -0.3448 -0.3448 -0.3357 -0.3357 0.2957 0.2957 0.3087 0.3087 0.3620 0.3620 0.3881 0.3881 0.8527 0.8527 0.8634 0.8634 1.0865 1.0865 1.0963 1.0963 6.2955 6.2955 6.3898 6.3898 6.8286 6.8286 6.9592 6.9592 6.9658 6.9658 7.0643 7.0643 8.0209 8.0209 8.0655 8.0655 k = 0.4231 0.4993-0.1329 ( 9668 PWs) bands (ev): -15.9343 -15.9343 -15.9098 -15.9098 -14.5179 -14.5179 -14.4723 -14.4723 -13.2497 -13.2497 -13.2431 -13.2431 -12.7337 -12.7337 -12.7076 -12.7076 -9.9885 -9.9885 -9.9356 -9.9356 -8.4366 -8.4366 -8.4109 -8.4109 -4.9593 -4.9593 -4.9339 -4.9339 -4.6001 -4.6001 -4.5265 -4.5265 -4.2369 -4.2369 -4.1455 -4.1455 -3.3235 -3.3235 -3.1953 -3.1953 -2.8125 -2.8125 -2.7878 -2.7878 -0.8329 -0.8329 -0.7307 -0.7307 -0.6582 -0.6582 -0.5929 -0.5929 -0.4597 -0.4597 -0.4220 -0.4220 -0.3335 -0.3335 -0.3222 -0.3222 0.2923 0.2923 0.3095 0.3095 0.3583 0.3583 0.3933 0.3933 0.8482 0.8482 0.8626 0.8626 1.0812 1.0812 1.0946 1.0946 6.2837 6.2837 6.4090 6.4090 6.7987 6.7987 6.9416 6.9416 6.9659 6.9659 7.0732 7.0732 8.0293 8.0293 8.0840 8.0840 k = 0.4038 0.4993-0.1329 ( 9662 PWs) bands (ev): -15.9381 -15.9381 -15.9078 -15.9078 -14.5233 -14.5233 -14.4667 -14.4667 -13.2477 -13.2477 -13.2397 -13.2397 -12.7362 -12.7362 -12.7039 -12.7039 -9.9983 -9.9983 -9.9324 -9.9324 -8.4395 -8.4395 -8.4075 -8.4075 -4.9648 -4.9648 -4.9339 -4.9339 -4.6091 -4.6091 -4.5177 -4.5177 -4.2469 -4.2469 -4.1336 -4.1336 -3.3462 -3.3462 -3.1874 -3.1874 -2.8157 -2.8157 -2.7870 -2.7870 -0.8449 -0.8449 -0.7215 -0.7215 -0.6564 -0.6564 -0.5754 -0.5754 -0.4630 -0.4630 -0.4087 -0.4087 -0.3203 -0.3203 -0.3051 -0.3051 0.2885 0.2885 0.3099 0.3099 0.3548 0.3548 0.3987 0.3987 0.8430 0.8430 0.8612 0.8612 1.0748 1.0748 1.0921 1.0921 6.2731 6.2731 6.4288 6.4288 6.7681 6.7681 6.9176 6.9176 6.9649 6.9649 7.0810 7.0810 8.0424 8.0424 8.1039 8.1039 k = 0.3846 0.4993-0.1329 ( 9654 PWs) bands (ev): -15.9421 -15.9421 -15.9059 -15.9059 -14.5287 -14.5287 -14.4611 -14.4611 -13.2450 -13.2450 -13.2357 -13.2357 -12.7386 -12.7386 -12.7002 -12.7002 -10.0086 -10.0086 -9.9300 -9.9300 -8.4423 -8.4423 -8.4041 -8.4041 -4.9705 -4.9705 -4.9347 -4.9347 -4.6179 -4.6179 -4.5092 -4.5092 -4.2565 -4.2565 -4.1218 -4.1218 -3.3702 -3.3702 -3.1820 -3.1820 -2.8180 -2.8180 -2.7863 -2.7863 -0.8564 -0.8564 -0.7137 -0.7137 -0.6525 -0.6525 -0.5567 -0.5567 -0.4660 -0.4660 -0.3919 -0.3919 -0.3060 -0.3060 -0.2843 -0.2843 0.2846 0.2846 0.3100 0.3100 0.3513 0.3513 0.4044 0.4044 0.8371 0.8371 0.8592 0.8592 1.0674 1.0674 1.0891 1.0891 6.2636 6.2636 6.4490 6.4490 6.7374 6.7374 6.8933 6.8933 6.9573 6.9573 7.0879 7.0879 8.0598 8.0598 8.1247 8.1247 k = 0.3654 0.4993-0.1329 ( 9654 PWs) bands (ev): -15.9461 -15.9461 -15.9043 -15.9043 -14.5338 -14.5338 -14.4557 -14.4557 -13.2418 -13.2418 -13.2313 -13.2313 -12.7407 -12.7407 -12.6965 -12.6965 -10.0193 -10.0193 -9.9283 -9.9283 -8.4451 -8.4451 -8.4007 -8.4007 -4.9765 -4.9765 -4.9363 -4.9363 -4.6266 -4.6266 -4.5010 -4.5010 -4.2654 -4.2654 -4.1100 -4.1100 -3.3954 -3.3954 -3.1793 -3.1793 -2.8192 -2.8192 -2.7855 -2.7855 -0.8674 -0.8674 -0.7074 -0.7074 -0.6465 -0.6465 -0.5371 -0.5371 -0.4687 -0.4687 -0.3717 -0.3717 -0.2909 -0.2909 -0.2603 -0.2603 0.2803 0.2803 0.3097 0.3097 0.3478 0.3478 0.4104 0.4104 0.8303 0.8303 0.8565 0.8565 1.0591 1.0591 1.0856 1.0856 6.2552 6.2552 6.4693 6.4693 6.7069 6.7069 6.8692 6.8692 6.9440 6.9440 7.0935 7.0935 8.0809 8.0809 8.1457 8.1457 k = 0.3462 0.4993-0.1329 ( 9660 PWs) bands (ev): -15.9502 -15.9502 -15.9030 -15.9030 -14.5389 -14.5389 -14.4504 -14.4504 -13.2380 -13.2380 -13.2265 -13.2265 -12.7426 -12.7426 -12.6929 -12.6929 -10.0304 -10.0304 -9.9272 -9.9272 -8.4477 -8.4477 -8.3974 -8.3974 -4.9825 -4.9825 -4.9386 -4.9386 -4.6349 -4.6349 -4.4931 -4.4931 -4.2737 -4.2737 -4.0984 -4.0984 -3.4218 -3.4218 -3.1796 -3.1796 -2.8191 -2.8191 -2.7842 -2.7842 -0.8779 -0.8779 -0.7023 -0.7023 -0.6387 -0.6387 -0.5173 -0.5173 -0.4708 -0.4708 -0.3482 -0.3482 -0.2750 -0.2750 -0.2336 -0.2336 0.2759 0.2759 0.3090 0.3090 0.3442 0.3442 0.4166 0.4166 0.8227 0.8227 0.8531 0.8531 1.0498 1.0498 1.0817 1.0817 6.2479 6.2479 6.4894 6.4894 6.6770 6.6770 6.8458 6.8458 6.9261 6.9261 7.0973 7.0973 8.1051 8.1051 8.1666 8.1666 k = 0.3269 0.4993-0.1329 ( 9666 PWs) bands (ev): -15.9542 -15.9542 -15.9018 -15.9018 -14.5437 -14.5437 -14.4453 -14.4453 -13.2337 -13.2337 -13.2214 -13.2214 -12.7443 -12.7443 -12.6893 -12.6893 -10.0418 -10.0418 -9.9267 -9.9267 -8.4502 -8.4502 -8.3941 -8.3941 -4.9885 -4.9885 -4.9416 -4.9416 -4.6431 -4.6431 -4.4856 -4.4856 -4.2812 -4.2812 -4.0869 -4.0869 -3.4490 -3.4490 -3.1829 -3.1829 -2.8176 -2.8176 -2.7821 -2.7821 -0.8880 -0.8880 -0.6983 -0.6983 -0.6294 -0.6294 -0.4978 -0.4978 -0.4718 -0.4718 -0.3220 -0.3220 -0.2581 -0.2581 -0.2049 -0.2049 0.2713 0.2713 0.3081 0.3081 0.3405 0.3405 0.4232 0.4232 0.8144 0.8144 0.8490 0.8490 1.0397 1.0397 1.0777 1.0777 6.2415 6.2415 6.5088 6.5088 6.6482 6.6482 6.8233 6.8233 6.9051 6.9051 7.0990 7.0990 8.1316 8.1316 8.1870 8.1870 k = 0.3077 0.4993-0.1329 ( 9674 PWs) bands (ev): -15.9583 -15.9583 -15.9009 -15.9009 -14.5484 -14.5484 -14.4404 -14.4404 -13.2290 -13.2290 -13.2160 -13.2160 -12.7459 -12.7459 -12.6859 -12.6859 -10.0533 -10.0533 -9.9268 -9.9268 -8.4526 -8.4526 -8.3909 -8.3909 -4.9944 -4.9944 -4.9451 -4.9451 -4.6509 -4.6509 -4.4785 -4.4785 -4.2879 -4.2879 -4.0756 -4.0756 -3.4770 -3.4770 -3.1891 -3.1891 -2.8148 -2.8148 -2.7791 -2.7791 -0.8976 -0.8976 -0.6952 -0.6952 -0.6192 -0.6192 -0.4812 -0.4812 -0.4689 -0.4689 -0.2944 -0.2944 -0.2398 -0.2398 -0.1745 -0.1745 0.2666 0.2666 0.3069 0.3069 0.3366 0.3366 0.4300 0.4300 0.8052 0.8052 0.8443 0.8443 1.0289 1.0289 1.0736 1.0736 6.2361 6.2361 6.5267 6.5267 6.6207 6.6207 6.8019 6.8019 6.8825 6.8825 7.0983 7.0983 8.1598 8.1598 8.2067 8.2067 k = 0.2885 0.4993-0.1329 ( 9690 PWs) bands (ev): -15.9623 -15.9623 -15.9001 -15.9001 -14.5528 -14.5528 -14.4357 -14.4357 -13.2239 -13.2239 -13.2105 -13.2105 -12.7473 -12.7473 -12.6826 -12.6826 -10.0649 -10.0649 -9.9274 -9.9274 -8.4549 -8.4549 -8.3878 -8.3878 -5.0002 -5.0002 -4.9492 -4.9492 -4.6584 -4.6584 -4.4719 -4.4719 -4.2937 -4.2937 -4.0645 -4.0645 -3.5054 -3.5054 -3.1980 -3.1980 -2.8107 -2.8107 -2.7751 -2.7751 -0.9068 -0.9068 -0.6929 -0.6929 -0.6083 -0.6083 -0.4759 -0.4759 -0.4536 -0.4536 -0.2672 -0.2672 -0.2187 -0.2187 -0.1432 -0.1432 0.2619 0.2619 0.3055 0.3055 0.3324 0.3324 0.4372 0.4372 0.7952 0.7952 0.8390 0.8390 1.0175 1.0175 1.0697 1.0697 6.2317 6.2317 6.5422 6.5422 6.5947 6.5947 6.7820 6.7820 6.8600 6.8600 7.0950 7.0950 8.1890 8.1890 8.2255 8.2255 k = 0.2692 0.4993-0.1329 ( 9694 PWs) bands (ev): -15.9663 -15.9663 -15.8995 -15.8995 -14.5571 -14.5571 -14.4312 -14.4312 -13.2186 -13.2186 -13.2048 -13.2048 -12.7484 -12.7484 -12.6794 -12.6794 -10.0765 -10.0765 -9.9284 -9.9284 -8.4571 -8.4571 -8.3847 -8.3847 -5.0058 -5.0058 -4.9537 -4.9537 -4.6656 -4.6656 -4.4659 -4.4659 -4.2984 -4.2984 -4.0536 -4.0536 -3.5340 -3.5340 -3.2094 -3.2094 -2.8054 -2.8054 -2.7701 -2.7701 -0.9155 -0.9155 -0.6912 -0.6912 -0.5975 -0.5975 -0.4735 -0.4735 -0.4340 -0.4340 -0.2427 -0.2427 -0.1934 -0.1934 -0.1115 -0.1115 0.2571 0.2571 0.3039 0.3039 0.3280 0.3280 0.4447 0.4447 0.7844 0.7844 0.8329 0.8329 1.0057 1.0057 1.0660 1.0660 6.2281 6.2281 6.5535 6.5535 6.5711 6.5711 6.7635 6.7635 6.8394 6.8394 7.0892 7.0892 8.2187 8.2187 8.2432 8.2432 k = 0.2500 0.4993-0.1329 ( 9698 PWs) bands (ev): -15.9701 -15.9701 -15.8991 -15.8991 -14.5611 -14.5611 -14.4269 -14.4269 -13.2130 -13.2130 -13.1991 -13.1991 -12.7495 -12.7495 -12.6764 -12.6764 -10.0879 -10.0879 -9.9298 -9.9298 -8.4592 -8.4592 -8.3818 -8.3818 -5.0111 -5.0111 -4.9585 -4.9585 -4.6724 -4.6724 -4.4606 -4.4606 -4.3021 -4.3021 -4.0430 -4.0430 -3.5625 -3.5625 -3.2227 -3.2227 -2.7992 -2.7992 -2.7643 -2.7643 -0.9236 -0.9236 -0.6900 -0.6900 -0.5873 -0.5873 -0.4701 -0.4701 -0.4137 -0.4137 -0.2221 -0.2221 -0.1631 -0.1631 -0.0798 -0.0798 0.2524 0.2524 0.3021 0.3021 0.3233 0.3233 0.4526 0.4526 0.7726 0.7726 0.8262 0.8262 0.9937 0.9937 1.0627 1.0627 6.2254 6.2254 6.5458 6.5458 6.5635 6.5635 6.7466 6.7466 6.8226 6.8226 7.0811 7.0811 8.2485 8.2485 8.2597 8.2597 k = 0.2308 0.4993-0.1329 ( 9688 PWs) bands (ev): -15.9738 -15.9738 -15.8988 -15.8988 -14.5648 -14.5648 -14.4229 -14.4229 -13.2073 -13.2073 -13.1934 -13.1934 -12.7504 -12.7504 -12.6737 -12.6737 -10.0991 -10.0991 -9.9314 -9.9314 -8.4611 -8.4611 -8.3790 -8.3790 -5.0161 -5.0161 -4.9635 -4.9635 -4.6789 -4.6789 -4.4559 -4.4559 -4.3047 -4.3047 -4.0327 -4.0327 -3.5905 -3.5905 -3.2376 -3.2376 -2.7922 -2.7922 -2.7580 -2.7580 -0.9312 -0.9312 -0.6893 -0.6893 -0.5783 -0.5783 -0.4652 -0.4652 -0.3932 -0.3932 -0.2047 -0.2047 -0.1293 -0.1293 -0.0489 -0.0489 0.2479 0.2479 0.3000 0.3000 0.3186 0.3186 0.4610 0.4610 0.7599 0.7599 0.8188 0.8188 0.9818 0.9818 1.0598 1.0598 6.2235 6.2235 6.5256 6.5256 6.5640 6.5640 6.7314 6.7314 6.8113 6.8113 7.0709 7.0709 8.2747 8.2747 8.2781 8.2781 k = 0.2115 0.4993-0.1329 ( 9680 PWs) bands (ev): -15.9773 -15.9773 -15.8986 -15.8986 -14.5684 -14.5684 -14.4192 -14.4192 -13.2016 -13.2016 -13.1879 -13.1879 -12.7512 -12.7512 -12.6711 -12.6711 -10.1099 -10.1099 -9.9333 -9.9333 -8.4629 -8.4629 -8.3763 -8.3763 -5.0207 -5.0207 -4.9685 -4.9685 -4.6850 -4.6850 -4.4521 -4.4521 -4.3062 -4.3062 -4.0228 -4.0228 -3.6178 -3.6178 -3.2535 -3.2535 -2.7846 -2.7846 -2.7513 -2.7513 -0.9382 -0.9382 -0.6890 -0.6890 -0.5707 -0.5707 -0.4586 -0.4586 -0.3728 -0.3728 -0.1895 -0.1895 -0.0937 -0.0936 -0.0191 -0.0191 0.2436 0.2436 0.2972 0.2972 0.3143 0.3143 0.4697 0.4697 0.7462 0.7462 0.8108 0.8108 0.9702 0.9702 1.0573 1.0573 6.2225 6.2225 6.5066 6.5066 6.5585 6.5585 6.7179 6.7179 6.8064 6.8064 7.0589 7.0589 8.2888 8.2888 8.3067 8.3067 k = 0.1923 0.4993-0.1329 ( 9684 PWs) bands (ev): -15.9806 -15.9806 -15.8985 -15.8985 -14.5716 -14.5716 -14.4158 -14.4158 -13.1959 -13.1959 -13.1824 -13.1824 -12.7519 -12.7519 -12.6688 -12.6688 -10.1202 -10.1202 -9.9353 -9.9353 -8.4645 -8.4645 -8.3739 -8.3739 -5.0250 -5.0250 -4.9736 -4.9736 -4.6906 -4.6906 -4.4491 -4.4491 -4.3066 -4.3066 -4.0133 -4.0133 -3.6441 -3.6441 -3.2700 -3.2700 -2.7767 -2.7767 -2.7444 -2.7444 -0.9446 -0.9446 -0.6890 -0.6890 -0.5647 -0.5647 -0.4505 -0.4505 -0.3525 -0.3525 -0.1759 -0.1759 -0.0574 -0.0574 0.0091 0.0091 0.2397 0.2397 0.2935 0.2935 0.3109 0.3109 0.4787 0.4787 0.7313 0.7313 0.8023 0.8023 0.9591 0.9591 1.0553 1.0553 6.2221 6.2221 6.4893 6.4893 6.5472 6.5472 6.7060 6.7060 6.8074 6.8074 7.0457 7.0457 8.3015 8.3015 8.3343 8.3343 k = 0.1731 0.4993-0.1329 ( 9678 PWs) bands (ev): -15.9836 -15.9836 -15.8985 -15.8985 -14.5746 -14.5746 -14.4126 -14.4126 -13.1904 -13.1904 -13.1773 -13.1773 -12.7524 -12.7524 -12.6667 -12.6667 -10.1299 -10.1299 -9.9373 -9.9373 -8.4660 -8.4660 -8.3716 -8.3716 -5.0288 -5.0288 -4.9785 -4.9785 -4.6959 -4.6959 -4.4468 -4.4468 -4.3059 -4.3059 -4.0043 -4.0043 -3.6691 -3.6691 -3.2865 -3.2865 -2.7687 -2.7687 -2.7376 -2.7376 -0.9504 -0.9504 -0.6892 -0.6892 -0.5602 -0.5602 -0.4413 -0.4413 -0.3326 -0.3326 -0.1635 -0.1635 -0.0215 -0.0215 0.0351 0.0351 0.2363 0.2363 0.2885 0.2885 0.3089 0.3089 0.4881 0.4881 0.7152 0.7152 0.7934 0.7934 0.9489 0.9489 1.0536 1.0536 6.2224 6.2224 6.4738 6.4738 6.5318 6.5318 6.6957 6.6957 6.8129 6.8129 7.0315 7.0315 8.3129 8.3129 8.3606 8.3606 k = 0.1538 0.4993-0.1329 ( 9680 PWs) bands (ev): -15.9865 -15.9865 -15.8985 -15.8985 -14.5773 -14.5773 -14.4098 -14.4098 -13.1851 -13.1851 -13.1724 -13.1724 -12.7529 -12.7529 -12.6648 -12.6648 -10.1389 -10.1389 -9.9394 -9.9394 -8.4674 -8.4674 -8.3694 -8.3694 -5.0322 -5.0322 -4.9831 -4.9831 -4.7006 -4.7006 -4.4453 -4.4453 -4.3043 -4.3043 -3.9959 -3.9959 -3.6925 -3.6925 -3.3026 -3.3026 -2.7608 -2.7608 -2.7310 -2.7310 -0.9556 -0.9556 -0.6896 -0.6896 -0.5570 -0.5570 -0.4315 -0.4315 -0.3133 -0.3133 -0.1523 -0.1523 0.0130 0.0130 0.0589 0.0589 0.2333 0.2333 0.2828 0.2828 0.3083 0.3083 0.4976 0.4976 0.6980 0.6980 0.7844 0.7844 0.9397 0.9397 1.0524 1.0524 6.2231 6.2231 6.4600 6.4600 6.5141 6.5141 6.6869 6.6869 6.8213 6.8213 7.0170 7.0170 8.3230 8.3230 8.3852 8.3852 k = 0.1346 0.4993-0.1329 ( 9692 PWs) bands (ev): -15.9890 -15.9890 -15.8986 -15.8986 -14.5797 -14.5797 -14.4073 -14.4073 -13.1802 -13.1802 -13.1680 -13.1680 -12.7533 -12.7533 -12.6632 -12.6632 -10.1471 -10.1471 -9.9413 -9.9413 -8.4687 -8.4687 -8.3676 -8.3676 -5.0352 -5.0352 -4.9875 -4.9875 -4.7049 -4.7049 -4.4443 -4.4443 -4.3020 -4.3020 -3.9881 -3.9881 -3.7140 -3.7140 -3.3179 -3.3179 -2.7533 -2.7533 -2.7249 -2.7249 -0.9602 -0.9602 -0.6901 -0.6901 -0.5548 -0.5548 -0.4216 -0.4216 -0.2949 -0.2949 -0.1423 -0.1423 0.0450 0.0450 0.0804 0.0804 0.2309 0.2309 0.2773 0.2773 0.3088 0.3088 0.5072 0.5072 0.6796 0.6796 0.7753 0.7753 0.9316 0.9316 1.0515 1.0515 6.2243 6.2243 6.4480 6.4480 6.4958 6.4958 6.6795 6.6795 6.8311 6.8311 7.0026 7.0026 8.3319 8.3319 8.4079 8.4079 k = 0.1154 0.4993-0.1329 ( 9694 PWs) bands (ev): -15.9913 -15.9913 -15.8987 -15.8987 -14.5818 -14.5818 -14.4051 -14.4051 -13.1758 -13.1758 -13.1639 -13.1639 -12.7537 -12.7537 -12.6618 -12.6618 -10.1544 -10.1544 -9.9432 -9.9432 -8.4697 -8.4697 -8.3659 -8.3659 -5.0378 -5.0378 -4.9914 -4.9914 -4.7087 -4.7087 -4.4439 -4.4439 -4.2993 -4.2993 -3.9811 -3.9811 -3.7334 -3.7334 -3.3320 -3.3320 -2.7464 -2.7464 -2.7193 -2.7193 -0.9641 -0.9641 -0.6907 -0.6907 -0.5532 -0.5532 -0.4122 -0.4122 -0.2778 -0.2778 -0.1335 -0.1335 0.0725 0.0725 0.1005 0.1005 0.2286 0.2286 0.2732 0.2732 0.3102 0.3102 0.5165 0.5165 0.6604 0.6604 0.7666 0.7666 0.9246 0.9246 1.0509 1.0509 6.2257 6.2257 6.4377 6.4377 6.4782 6.4782 6.6734 6.6734 6.8411 6.8411 6.9889 6.9889 8.3396 8.3396 8.4284 8.4284 k = 0.0962 0.4993-0.1329 ( 9690 PWs) bands (ev): -15.9932 -15.9932 -15.8988 -15.8988 -14.5836 -14.5836 -14.4033 -14.4033 -13.1718 -13.1718 -13.1604 -13.1604 -12.7539 -12.7539 -12.6606 -12.6606 -10.1607 -10.1607 -9.9448 -9.9448 -8.4706 -8.4706 -8.3645 -8.3645 -5.0400 -5.0400 -4.9949 -4.9949 -4.7119 -4.7119 -4.4438 -4.4438 -4.2964 -4.2964 -3.9749 -3.9749 -3.7504 -3.7504 -3.3446 -3.3446 -2.7402 -2.7402 -2.7144 -2.7144 -0.9674 -0.9674 -0.6913 -0.6913 -0.5522 -0.5522 -0.4037 -0.4037 -0.2623 -0.2623 -0.1259 -0.1259 0.0935 0.0935 0.1199 0.1199 0.2259 0.2259 0.2721 0.2721 0.3122 0.3122 0.5254 0.5254 0.6408 0.6408 0.7584 0.7584 0.9189 0.9189 1.0505 1.0505 6.2273 6.2273 6.4291 6.4291 6.4621 6.4621 6.6685 6.6685 6.8507 6.8507 6.9763 6.9763 8.3461 8.3461 8.4464 8.4464 k = 0.0769 0.4993-0.1329 ( 9702 PWs) bands (ev): -15.9948 -15.9948 -15.8989 -15.8989 -14.5850 -14.5850 -14.4018 -14.4018 -13.1685 -13.1685 -13.1575 -13.1575 -12.7541 -12.7541 -12.6597 -12.6597 -10.1660 -10.1660 -9.9463 -9.9463 -8.4714 -8.4714 -8.3633 -8.3633 -5.0418 -5.0418 -4.9978 -4.9978 -4.7146 -4.7146 -4.4439 -4.4439 -4.2936 -4.2936 -3.9697 -3.9697 -3.7647 -3.7647 -3.3553 -3.3553 -2.7349 -2.7349 -2.7103 -2.7103 -0.9702 -0.9702 -0.6918 -0.6918 -0.5516 -0.5516 -0.3963 -0.3963 -0.2487 -0.2487 -0.1197 -0.1197 0.1079 0.1079 0.1379 0.1379 0.2222 0.2222 0.2751 0.2751 0.3146 0.3146 0.5334 0.5334 0.6216 0.6216 0.7511 0.7511 0.9144 0.9144 1.0503 1.0503 6.2288 6.2288 6.4222 6.4222 6.4482 6.4482 6.6646 6.6646 6.8592 6.8592 6.9652 6.9652 8.3514 8.3514 8.4617 8.4617 k = 0.0577 0.4993-0.1329 ( 9700 PWs) bands (ev): -15.9961 -15.9961 -15.8990 -15.8990 -14.5862 -14.5862 -14.4006 -14.4006 -13.1658 -13.1658 -13.1551 -13.1551 -12.7543 -12.7543 -12.6590 -12.6590 -10.1702 -10.1702 -9.9474 -9.9474 -8.4720 -8.4720 -8.3623 -8.3623 -5.0431 -5.0431 -5.0001 -5.0001 -4.7167 -4.7167 -4.4442 -4.4442 -4.2910 -4.2910 -3.9655 -3.9655 -3.7761 -3.7761 -3.3640 -3.3640 -2.7306 -2.7306 -2.7070 -2.7070 -0.9723 -0.9723 -0.6923 -0.6923 -0.5512 -0.5512 -0.3903 -0.3903 -0.2376 -0.2376 -0.1147 -0.1147 0.1175 0.1175 0.1525 0.1525 0.2176 0.2176 0.2818 0.2818 0.3172 0.3172 0.5403 0.5403 0.6038 0.6038 0.7450 0.7450 0.9109 0.9109 1.0502 1.0502 6.2301 6.2301 6.4168 6.4168 6.4371 6.4371 6.6617 6.6617 6.8661 6.8661 6.9562 6.9562 8.3555 8.3555 8.4739 8.4739 k = 0.0385 0.4993-0.1329 ( 9704 PWs) bands (ev): -15.9970 -15.9970 -15.8991 -15.8991 -14.5870 -14.5870 -14.3997 -14.3997 -13.1639 -13.1639 -13.1534 -13.1534 -12.7544 -12.7544 -12.6585 -12.6585 -10.1732 -10.1732 -9.9483 -9.9483 -8.4724 -8.4724 -8.3617 -8.3617 -5.0441 -5.0441 -5.0018 -5.0018 -4.7182 -4.7182 -4.4444 -4.4444 -4.2891 -4.2891 -3.9625 -3.9625 -3.7844 -3.7844 -3.3703 -3.3703 -2.7275 -2.7275 -2.7046 -2.7046 -0.9738 -0.9738 -0.6926 -0.6926 -0.5509 -0.5509 -0.3859 -0.3859 -0.2294 -0.2294 -0.1111 -0.1111 0.1237 0.1237 0.1628 0.1628 0.2129 0.2129 0.2897 0.2897 0.3198 0.3198 0.5456 0.5456 0.5890 0.5890 0.7404 0.7404 0.9085 0.9085 1.0501 1.0501 6.2310 6.2310 6.4129 6.4129 6.4289 6.4289 6.6596 6.6596 6.8713 6.8713 6.9495 6.9495 8.3585 8.3585 8.4828 8.4828 k = 0.0192 0.4993-0.1329 ( 9696 PWs) bands (ev): -15.9975 -15.9975 -15.8991 -15.8991 -14.5875 -14.5875 -14.3992 -14.3992 -13.1627 -13.1627 -13.1524 -13.1524 -12.7545 -12.7545 -12.6581 -12.6581 -10.1750 -10.1750 -9.9488 -9.9488 -8.4727 -8.4727 -8.3612 -8.3612 -5.0446 -5.0446 -5.0028 -5.0028 -4.7191 -4.7191 -4.4446 -4.4446 -4.2878 -4.2878 -3.9606 -3.9606 -3.7895 -3.7895 -3.3742 -3.3742 -2.7256 -2.7256 -2.7032 -2.7032 -0.9747 -0.9747 -0.6928 -0.6928 -0.5508 -0.5508 -0.3832 -0.3832 -0.2243 -0.2243 -0.1090 -0.1090 0.1272 0.1272 0.1691 0.1691 0.2092 0.2092 0.2959 0.2959 0.3219 0.3219 0.5490 0.5490 0.5789 0.5789 0.7375 0.7375 0.9071 0.9071 1.0500 1.0500 6.2317 6.2317 6.4106 6.4106 6.4240 6.4240 6.6584 6.6584 6.8745 6.8745 6.9453 6.9453 8.3603 8.3603 8.4882 8.4882 k = 0.0000 0.4993-0.1329 ( 9690 PWs) bands (ev): -15.9977 -15.9977 -15.8991 -15.8991 -14.5877 -14.5877 -14.3990 -14.3990 -13.1623 -13.1623 -13.1521 -13.1521 -12.7545 -12.7545 -12.6580 -12.6580 -10.1756 -10.1756 -9.9490 -9.9490 -8.4728 -8.4728 -8.3611 -8.3611 -5.0448 -5.0448 -5.0031 -5.0031 -4.7194 -4.7194 -4.4446 -4.4446 -4.2874 -4.2874 -3.9600 -3.9600 -3.7912 -3.7912 -3.3754 -3.3754 -2.7250 -2.7250 -2.7027 -2.7027 -0.9750 -0.9750 -0.6929 -0.6929 -0.5508 -0.5508 -0.3823 -0.3823 -0.2225 -0.2225 -0.1082 -0.1082 0.1283 0.1283 0.1713 0.1713 0.2078 0.2078 0.2982 0.2982 0.3227 0.3227 0.5503 0.5503 0.5752 0.5752 0.7365 0.7365 0.9066 0.9066 1.0500 1.0500 6.2319 6.2319 6.4098 6.4098 6.4224 6.4224 6.6581 6.6581 6.8756 6.8756 6.9439 6.9439 8.3609 8.3609 8.4900 8.4900 k = 0.0000 0.4993-0.1329 ( 9690 PWs) bands (ev): -15.9977 -15.9977 -15.8991 -15.8991 -14.5877 -14.5877 -14.3990 -14.3990 -13.1623 -13.1623 -13.1521 -13.1521 -12.7545 -12.7545 -12.6580 -12.6580 -10.1756 -10.1756 -9.9490 -9.9490 -8.4728 -8.4728 -8.3611 -8.3611 -5.0448 -5.0448 -5.0031 -5.0031 -4.7194 -4.7194 -4.4446 -4.4446 -4.2874 -4.2874 -3.9600 -3.9600 -3.7912 -3.7912 -3.3754 -3.3754 -2.7250 -2.7250 -2.7027 -2.7027 -0.9750 -0.9750 -0.6929 -0.6929 -0.5508 -0.5508 -0.3823 -0.3823 -0.2225 -0.2225 -0.1082 -0.1082 0.1283 0.1283 0.1713 0.1713 0.2078 0.2078 0.2982 0.2982 0.3227 0.3227 0.5503 0.5503 0.5752 0.5752 0.7365 0.7365 0.9066 0.9066 1.0500 1.0500 6.2319 6.2319 6.4098 6.4098 6.4224 6.4224 6.6581 6.6581 6.8756 6.8756 6.9439 6.9439 8.3609 8.3609 8.4900 8.4900 k = 0.0000 0.5044-0.1140 ( 9690 PWs) bands (ev): -15.9976 -15.9976 -15.8993 -15.8993 -14.5875 -14.5875 -14.3992 -14.3992 -13.1623 -13.1623 -13.1521 -13.1521 -12.7544 -12.7544 -12.6581 -12.6581 -10.1755 -10.1755 -9.9491 -9.9491 -8.4725 -8.4725 -8.3613 -8.3613 -5.0450 -5.0450 -5.0031 -5.0031 -4.7190 -4.7190 -4.4448 -4.4448 -4.2872 -4.2872 -3.9602 -3.9602 -3.7906 -3.7906 -3.3758 -3.3758 -2.7251 -2.7251 -2.7024 -2.7024 -0.9748 -0.9748 -0.6917 -0.6917 -0.5507 -0.5507 -0.3826 -0.3826 -0.2234 -0.2234 -0.1076 -0.1076 0.1278 0.1278 0.1711 0.1711 0.2058 0.2058 0.2982 0.2982 0.3226 0.3226 0.5495 0.5495 0.5761 0.5761 0.7370 0.7370 0.9066 0.9066 1.0498 1.0498 6.2321 6.2321 6.4099 6.4099 6.4226 6.4226 6.6578 6.6578 6.8759 6.8759 6.9444 6.9444 8.3604 8.3604 8.4901 8.4901 k = 0.0000 0.5094-0.0951 ( 9702 PWs) bands (ev): -15.9971 -15.9971 -15.8998 -15.8998 -14.5869 -14.5869 -14.3998 -14.3998 -13.1621 -13.1621 -13.1523 -13.1523 -12.7542 -12.7542 -12.6583 -12.6583 -10.1751 -10.1751 -9.9497 -9.9497 -8.4718 -8.4718 -8.3620 -8.3620 -5.0453 -5.0453 -5.0032 -5.0032 -4.7177 -4.7177 -4.4455 -4.4455 -4.2865 -4.2865 -3.9610 -3.9610 -3.7889 -3.7889 -3.3769 -3.3769 -2.7255 -2.7255 -2.7017 -2.7017 -0.9742 -0.9742 -0.6883 -0.6883 -0.5503 -0.5503 -0.3833 -0.3833 -0.2258 -0.2258 -0.1056 -0.1056 0.1264 0.1264 0.1707 0.1707 0.2004 0.2004 0.2981 0.2981 0.3219 0.3219 0.5473 0.5473 0.5786 0.5786 0.7383 0.7383 0.9067 0.9067 1.0492 1.0492 6.2328 6.2328 6.4104 6.4104 6.4233 6.4233 6.6571 6.6571 6.8765 6.8765 6.9459 6.9459 8.3589 8.3589 8.4905 8.4905 k = 0.0000 0.5144-0.0763 ( 9698 PWs) bands (ev): -15.9964 -15.9964 -15.9007 -15.9007 -14.5858 -14.5858 -14.4007 -14.4007 -13.1619 -13.1619 -13.1526 -13.1526 -12.7538 -12.7538 -12.6586 -12.6586 -10.1744 -10.1744 -9.9506 -9.9506 -8.4706 -8.4706 -8.3631 -8.3631 -5.0460 -5.0460 -5.0034 -5.0034 -4.7155 -4.7155 -4.4467 -4.4467 -4.2855 -4.2855 -3.9622 -3.9622 -3.7861 -3.7861 -3.3788 -3.3788 -2.7261 -2.7261 -2.7005 -2.7005 -0.9733 -0.9733 -0.6825 -0.6825 -0.5496 -0.5496 -0.3845 -0.3845 -0.2298 -0.2298 -0.1024 -0.1024 0.1237 0.1237 0.1699 0.1699 0.1926 0.1926 0.2979 0.2979 0.3203 0.3203 0.5442 0.5442 0.5822 0.5822 0.7405 0.7405 0.9067 0.9067 1.0482 1.0482 6.2340 6.2340 6.4111 6.4111 6.4244 6.4244 6.6560 6.6560 6.8777 6.8777 6.9483 6.9483 8.3564 8.3564 8.4910 8.4910 k = 0.0000 0.5194-0.0574 ( 9706 PWs) bands (ev): -15.9954 -15.9954 -15.9019 -15.9019 -14.5844 -14.5844 -14.4019 -14.4019 -13.1615 -13.1615 -13.1530 -13.1530 -12.7533 -12.7533 -12.6590 -12.6590 -10.1735 -10.1735 -9.9519 -9.9519 -8.4690 -8.4690 -8.3646 -8.3646 -5.0468 -5.0468 -5.0035 -5.0035 -4.7125 -4.7125 -4.4483 -4.4483 -4.2840 -4.2840 -3.9639 -3.9639 -3.7823 -3.7823 -3.3814 -3.3814 -2.7271 -2.7271 -2.6989 -2.6989 -0.9718 -0.9718 -0.6746 -0.6746 -0.5488 -0.5488 -0.3861 -0.3861 -0.2354 -0.2354 -0.0981 -0.0981 0.1191 0.1191 0.1682 0.1682 0.1839 0.1839 0.2974 0.2974 0.3175 0.3175 0.5405 0.5405 0.5867 0.5867 0.7435 0.7435 0.9067 0.9067 1.0467 1.0467 6.2355 6.2355 6.4121 6.4121 6.4259 6.4259 6.6545 6.6545 6.8792 6.8792 6.9517 6.9517 8.3531 8.3531 8.4917 8.4917 k = 0.0000 0.5245-0.0385 ( 9716 PWs) bands (ev): -15.9941 -15.9941 -15.9034 -15.9034 -14.5827 -14.5827 -14.4035 -14.4035 -13.1611 -13.1611 -13.1536 -13.1536 -12.7526 -12.7526 -12.6595 -12.6595 -10.1723 -10.1723 -9.9536 -9.9536 -8.4669 -8.4669 -8.3665 -8.3665 -5.0479 -5.0479 -5.0037 -5.0037 -4.7087 -4.7087 -4.4503 -4.4503 -4.2821 -4.2821 -3.9661 -3.9661 -3.7773 -3.7773 -3.3848 -3.3848 -2.7282 -2.7282 -2.6968 -2.6968 -0.9698 -0.9698 -0.6646 -0.6646 -0.5477 -0.5477 -0.3880 -0.3880 -0.2424 -0.2424 -0.0928 -0.0928 0.1117 0.1117 0.1649 0.1649 0.1769 0.1769 0.2964 0.2964 0.3134 0.3134 0.5363 0.5363 0.5920 0.5920 0.7473 0.7473 0.9065 0.9065 1.0449 1.0449 6.2375 6.2375 6.4133 6.4133 6.4277 6.4277 6.6526 6.6526 6.8811 6.8811 6.9560 6.9560 8.3490 8.3490 8.4926 8.4926 k = 0.0000 0.5295-0.0196 ( 9713 PWs) bands (ev): -15.9925 -15.9925 -15.9053 -15.9053 -14.5805 -14.5805 -14.4055 -14.4055 -13.1606 -13.1606 -13.1542 -13.1542 -12.7518 -12.7518 -12.6602 -12.6602 -10.1709 -10.1709 -9.9556 -9.9556 -8.4644 -8.4644 -8.3689 -8.3689 -5.0491 -5.0491 -5.0039 -5.0039 -4.7041 -4.7041 -4.4529 -4.4529 -4.2798 -4.2798 -3.9687 -3.9687 -3.7713 -3.7713 -3.3889 -3.3889 -2.7297 -2.7297 -2.6942 -2.6942 -0.9671 -0.9671 -0.6527 -0.6527 -0.5465 -0.5465 -0.3899 -0.3899 -0.2508 -0.2508 -0.0868 -0.0868 0.1008 0.1008 0.1596 0.1596 0.1732 0.1732 0.2947 0.2947 0.3081 0.3081 0.5317 0.5317 0.5978 0.5978 0.7518 0.7518 0.9061 0.9061 1.0426 1.0426 6.2399 6.2399 6.4149 6.4149 6.4297 6.4297 6.6504 6.6504 6.8832 6.8832 6.9612 6.9612 8.3442 8.3442 8.4938 8.4938 k = 0.0000 0.5345-0.0008 ( 9712 PWs) bands (ev): -15.9907 -15.9907 -15.9074 -15.9074 -14.5779 -14.5779 -14.4078 -14.4078 -13.1600 -13.1600 -13.1550 -13.1550 -12.7508 -12.7508 -12.6610 -12.6610 -10.1692 -10.1692 -9.9580 -9.9580 -8.4615 -8.4615 -8.3716 -8.3716 -5.0505 -5.0505 -5.0040 -5.0040 -4.6989 -4.6989 -4.4559 -4.4559 -4.2771 -4.2771 -3.9718 -3.9718 -3.7644 -3.7644 -3.3937 -3.3937 -2.7314 -2.7314 -2.6913 -2.6913 -0.9637 -0.9637 -0.6391 -0.6391 -0.5451 -0.5451 -0.3919 -0.3919 -0.2604 -0.2604 -0.0803 -0.0803 0.0864 0.0864 0.1542 0.1542 0.1712 0.1712 0.2908 0.2908 0.3031 0.3031 0.5267 0.5267 0.6041 0.6041 0.7569 0.7569 0.9054 0.9054 1.0400 1.0400 6.2427 6.2427 6.4167 6.4167 6.4318 6.4318 6.6479 6.6479 6.8856 6.8856 6.9672 6.9672 8.3389 8.3389 8.4951 8.4951 k = 0.0000 0.5395 0.0181 ( 9706 PWs) bands (ev): -15.9886 -15.9886 -15.9099 -15.9099 -14.5750 -14.5750 -14.4104 -14.4104 -13.1593 -13.1593 -13.1558 -13.1558 -12.7497 -12.7497 -12.6618 -12.6618 -10.1672 -10.1672 -9.9606 -9.9606 -8.4582 -8.4582 -8.3747 -8.3747 -5.0521 -5.0521 -5.0041 -5.0041 -4.6930 -4.6930 -4.4594 -4.4594 -4.2740 -4.2740 -3.9753 -3.9753 -3.7565 -3.7565 -3.3994 -3.3994 -2.7333 -2.7333 -2.6879 -2.6879 -0.9596 -0.9596 -0.6238 -0.6238 -0.5436 -0.5436 -0.3938 -0.3938 -0.2712 -0.2712 -0.0733 -0.0733 0.0691 0.0691 0.1497 0.1497 0.1697 0.1697 0.2835 0.2835 0.3003 0.3003 0.5213 0.5213 0.6109 0.6109 0.7626 0.7626 0.9043 0.9043 1.0370 1.0370 6.2458 6.2458 6.4187 6.4187 6.4338 6.4338 6.6453 6.6453 6.8882 6.8882 6.9740 6.9740 8.3332 8.3332 8.4967 8.4967 k = 0.0000 0.5445 0.0370 ( 9709 PWs) bands (ev): -15.9863 -15.9863 -15.9126 -15.9126 -14.5718 -14.5718 -14.4133 -14.4133 -13.1586 -13.1586 -13.1568 -13.1568 -12.7484 -12.7484 -12.6628 -12.6628 -10.1650 -10.1650 -9.9636 -9.9636 -8.4545 -8.4545 -8.3782 -8.3782 -5.0538 -5.0538 -5.0041 -5.0041 -4.6865 -4.6865 -4.4635 -4.4635 -4.2705 -4.2705 -3.9793 -3.9793 -3.7478 -3.7478 -3.4058 -3.4058 -2.7355 -2.7355 -2.6841 -2.6841 -0.9546 -0.9546 -0.6071 -0.6071 -0.5420 -0.5420 -0.3954 -0.3954 -0.2828 -0.2828 -0.0663 -0.0663 0.0496 0.0496 0.1457 0.1457 0.1683 0.1683 0.2735 0.2735 0.2993 0.2993 0.5156 0.5156 0.6179 0.6179 0.7688 0.7688 0.9028 0.9028 1.0336 1.0336 6.2492 6.2492 6.4211 6.4211 6.4356 6.4356 6.6426 6.6426 6.8909 6.8909 6.9816 6.9816 8.3272 8.3272 8.4985 8.4985 k = 0.0000 0.5496 0.0558 ( 9699 PWs) bands (ev): -15.9837 -15.9837 -15.9156 -15.9156 -14.5682 -14.5682 -14.4164 -14.4164 -13.1579 -13.1579 -13.1578 -13.1578 -12.7470 -12.7470 -12.6638 -12.6638 -10.1626 -10.1626 -9.9669 -9.9669 -8.4505 -8.4505 -8.3820 -8.3820 -5.0556 -5.0556 -5.0040 -5.0040 -4.6794 -4.6794 -4.4680 -4.4680 -4.2667 -4.2667 -3.9837 -3.9837 -3.7382 -3.7382 -3.4130 -3.4130 -2.7379 -2.7379 -2.6799 -2.6799 -0.9488 -0.9488 -0.5891 -0.5891 -0.5404 -0.5404 -0.3968 -0.3968 -0.2952 -0.2952 -0.0593 -0.0593 0.0286 0.0286 0.1416 0.1416 0.1671 0.1671 0.2625 0.2625 0.2991 0.2991 0.5095 0.5095 0.6252 0.6252 0.7753 0.7753 0.9008 0.9008 1.0299 1.0299 6.2528 6.2528 6.4236 6.4236 6.4372 6.4372 6.6398 6.6398 6.8936 6.8936 6.9898 6.9898 8.3210 8.3210 8.5005 8.5005 k = 0.0000 0.5546 0.0747 ( 9697 PWs) bands (ev): -15.9810 -15.9810 -15.9188 -15.9188 -14.5642 -14.5642 -14.4199 -14.4199 -13.1590 -13.1590 -13.1569 -13.1569 -12.7454 -12.7454 -12.6650 -12.6650 -10.1599 -10.1599 -9.9705 -9.9705 -8.4461 -8.4461 -8.3862 -8.3862 -5.0574 -5.0574 -5.0038 -5.0038 -4.6720 -4.6720 -4.4731 -4.4731 -4.2626 -4.2626 -3.9885 -3.9885 -3.7278 -3.7278 -3.4209 -3.4209 -2.7406 -2.7406 -2.6754 -2.6754 -0.9421 -0.9421 -0.5701 -0.5701 -0.5387 -0.5387 -0.3977 -0.3977 -0.3081 -0.3081 -0.0525 -0.0525 0.0066 0.0066 0.1365 0.1365 0.1663 0.1663 0.2516 0.2516 0.2996 0.2996 0.5030 0.5030 0.6326 0.6326 0.7821 0.7821 0.8982 0.8982 1.0258 1.0258 6.2566 6.2566 6.4264 6.4264 6.4383 6.4383 6.6371 6.6371 6.8962 6.8962 6.9986 6.9986 8.3149 8.3149 8.5027 8.5027 k = 0.0000 0.5596 0.0936 ( 9693 PWs) bands (ev): -15.9780 -15.9780 -15.9223 -15.9223 -14.5600 -14.5600 -14.4236 -14.4236 -13.1603 -13.1603 -13.1560 -13.1560 -12.7438 -12.7438 -12.6662 -12.6662 -10.1571 -10.1571 -9.9744 -9.9744 -8.4415 -8.4415 -8.3907 -8.3907 -5.0593 -5.0593 -5.0034 -5.0034 -4.6641 -4.6641 -4.4786 -4.4786 -4.2582 -4.2582 -3.9937 -3.9937 -3.7168 -3.7168 -3.4296 -3.4296 -2.7434 -2.7434 -2.6707 -2.6707 -0.9346 -0.9346 -0.5509 -0.5509 -0.5363 -0.5363 -0.3980 -0.3980 -0.3214 -0.3214 -0.0462 -0.0462 -0.0161 -0.0161 0.1295 0.1295 0.1662 0.1662 0.2415 0.2415 0.3008 0.3008 0.4960 0.4960 0.6402 0.6402 0.7890 0.7890 0.8951 0.8951 1.0215 1.0215 6.2606 6.2606 6.4294 6.4294 6.4388 6.4388 6.6345 6.6345 6.8987 6.8987 7.0080 7.0080 8.3087 8.3087 8.5051 8.5051 k = 0.0000 0.5646 0.1125 ( 9695 PWs) bands (ev): -15.9749 -15.9749 -15.9260 -15.9260 -14.5555 -14.5555 -14.4275 -14.4275 -13.1616 -13.1616 -13.1550 -13.1550 -12.7420 -12.7420 -12.6676 -12.6676 -10.1540 -10.1540 -9.9785 -9.9785 -8.4367 -8.4367 -8.3955 -8.3955 -5.0612 -5.0612 -5.0029 -5.0029 -4.6559 -4.6559 -4.4847 -4.4847 -4.2534 -4.2534 -3.9992 -3.9992 -3.7052 -3.7052 -3.4390 -3.4390 -2.7465 -2.7465 -2.6656 -2.6656 -0.9262 -0.9262 -0.5399 -0.5399 -0.5252 -0.5252 -0.3978 -0.3978 -0.3346 -0.3346 -0.0429 -0.0429 -0.0368 -0.0368 0.1202 0.1202 0.1670 0.1670 0.2328 0.2328 0.3026 0.3026 0.4886 0.4886 0.6479 0.6479 0.7960 0.7960 0.8913 0.8913 1.0169 1.0169 6.2646 6.2646 6.4323 6.4323 6.4390 6.4390 6.6321 6.6321 6.9011 6.9011 7.0177 7.0177 8.3028 8.3028 8.5076 8.5076 k = 0.0000 0.5696 0.1313 ( 9693 PWs) bands (ev): -15.9715 -15.9715 -15.9299 -15.9299 -14.5507 -14.5507 -14.4316 -14.4316 -13.1630 -13.1630 -13.1540 -13.1540 -12.7401 -12.7401 -12.6689 -12.6689 -10.1507 -10.1507 -9.9828 -9.9828 -8.4316 -8.4316 -8.4005 -8.4005 -5.0631 -5.0631 -5.0022 -5.0022 -4.6475 -4.6475 -4.4913 -4.4913 -4.2484 -4.2484 -4.0051 -4.0051 -3.6931 -3.6931 -3.4491 -3.4491 -2.7498 -2.7498 -2.6603 -2.6603 -0.9171 -0.9171 -0.5382 -0.5382 -0.5044 -0.5044 -0.3969 -0.3969 -0.3477 -0.3477 -0.0641 -0.0641 -0.0338 -0.0338 0.1084 0.1084 0.1689 0.1689 0.2259 0.2259 0.3051 0.3051 0.4807 0.4807 0.6556 0.6556 0.8029 0.8029 0.8871 0.8871 1.0122 1.0122 6.2688 6.2688 6.4344 6.4344 6.4395 6.4395 6.6299 6.6299 6.9032 6.9032 7.0279 7.0279 8.2970 8.2970 8.5103 8.5103 k = 0.0000 0.5747 0.1502 ( 9693 PWs) bands (ev): -15.9681 -15.9681 -15.9340 -15.9340 -14.5456 -14.5456 -14.4359 -14.4359 -13.1645 -13.1645 -13.1530 -13.1530 -12.7381 -12.7381 -12.6704 -12.6704 -10.1472 -10.1472 -9.9874 -9.9874 -8.4263 -8.4263 -8.4058 -8.4058 -5.0649 -5.0649 -5.0013 -5.0013 -4.6388 -4.6388 -4.4985 -4.4985 -4.2431 -4.2431 -4.0113 -4.0113 -3.6805 -3.6805 -3.4598 -3.4598 -2.7533 -2.7533 -2.6549 -2.6549 -0.9073 -0.9073 -0.5382 -0.5382 -0.4819 -0.4819 -0.3951 -0.3951 -0.3602 -0.3602 -0.0883 -0.0883 -0.0286 -0.0286 0.0944 0.0944 0.1716 0.1716 0.2206 0.2206 0.3084 0.3084 0.4724 0.4724 0.6634 0.6634 0.8095 0.8095 0.8824 0.8824 1.0073 1.0073 6.2729 6.2729 6.4339 6.4339 6.4419 6.4419 6.6280 6.6280 6.9050 6.9050 7.0382 7.0382 8.2916 8.2916 8.5131 8.5131 k = 0.0000 0.5797 0.1691 ( 9703 PWs) bands (ev): -15.9645 -15.9645 -15.9382 -15.9382 -14.5404 -14.5404 -14.4404 -14.4404 -13.1660 -13.1660 -13.1519 -13.1519 -12.7360 -12.7360 -12.6719 -12.6719 -10.1435 -10.1435 -9.9922 -9.9922 -8.4209 -8.4209 -8.4113 -8.4113 -5.0666 -5.0666 -5.0003 -5.0003 -4.6300 -4.6300 -4.5061 -4.5061 -4.2376 -4.2376 -4.0179 -4.0179 -3.6675 -3.6675 -3.4712 -3.4712 -2.7569 -2.7569 -2.6493 -2.6493 -0.8969 -0.8969 -0.5391 -0.5391 -0.4590 -0.4590 -0.3925 -0.3925 -0.3719 -0.3719 -0.1130 -0.1130 -0.0235 -0.0235 0.0789 0.0789 0.1751 0.1751 0.2167 0.2167 0.3126 0.3126 0.4637 0.4637 0.6711 0.6711 0.8155 0.8155 0.8775 0.8775 1.0023 1.0023 6.2769 6.2769 6.4315 6.4315 6.4457 6.4457 6.6262 6.6262 6.9065 6.9065 7.0487 7.0487 8.2865 8.2865 8.5160 8.5160 k = 0.5000 0.4190 0.4348 ( 9674 PWs) bands (ev): -15.9218 -15.9218 -15.9217 -15.9217 -14.4907 -14.4907 -14.4907 -14.4907 -13.2535 -13.2535 -13.2535 -13.2535 -12.7248 -12.7248 -12.7247 -12.7247 -9.9572 -9.9572 -9.9571 -9.9571 -8.4207 -8.4207 -8.4206 -8.4206 -4.9262 -4.9262 -4.9260 -4.9260 -4.5478 -4.5478 -4.5468 -4.5468 -4.2133 -4.2133 -4.2113 -4.2113 -3.2677 -3.2677 -3.2664 -3.2664 -2.7823 -2.7823 -2.7811 -2.7811 -0.7739 -0.7739 -0.7686 -0.7686 -0.5811 -0.5811 -0.5769 -0.5769 -0.4214 -0.4214 -0.4161 -0.4161 -0.3367 -0.3367 -0.3243 -0.3243 0.0143 0.0143 0.0182 0.0182 0.4530 0.4530 0.4697 0.4697 0.8503 0.8503 0.8744 0.8744 1.0949 1.0949 1.1183 1.1183 6.3495 6.3495 6.3521 6.3521 6.9148 6.9148 6.9149 6.9149 7.0492 7.0492 7.0516 7.0516 8.0968 8.0968 8.1014 8.1014 k = 0.5000 0.4000 0.4348 ( 9670 PWs) bands (ev): -15.9229 -15.9229 -15.9228 -15.9228 -14.4888 -14.4888 -14.4888 -14.4888 -13.2548 -13.2548 -13.2548 -13.2548 -12.7229 -12.7229 -12.7228 -12.7228 -9.9590 -9.9590 -9.9589 -9.9589 -8.4210 -8.4210 -8.4209 -8.4209 -4.9241 -4.9241 -4.9240 -4.9240 -4.5507 -4.5507 -4.5496 -4.5496 -4.2171 -4.2171 -4.2151 -4.2151 -3.2694 -3.2694 -3.2681 -3.2681 -2.7786 -2.7786 -2.7773 -2.7773 -0.7781 -0.7781 -0.7732 -0.7732 -0.5718 -0.5718 -0.5623 -0.5623 -0.4232 -0.4232 -0.4125 -0.4125 -0.3299 -0.3299 -0.3163 -0.3163 0.0136 0.0136 0.0166 0.0166 0.4500 0.4500 0.4662 0.4662 0.8496 0.8496 0.8738 0.8738 1.0894 1.0894 1.1126 1.1126 6.3427 6.3427 6.3455 6.3455 6.9070 6.9070 6.9070 6.9070 7.0525 7.0525 7.0549 7.0549 8.1045 8.1045 8.1092 8.1092 k = 0.5000 0.3809 0.4348 ( 9676 PWs) bands (ev): -15.9241 -15.9241 -15.9240 -15.9240 -14.4866 -14.4866 -14.4865 -14.4865 -13.2563 -13.2563 -13.2562 -13.2562 -12.7207 -12.7207 -12.7206 -12.7206 -9.9611 -9.9611 -9.9610 -9.9610 -8.4214 -8.4214 -8.4213 -8.4213 -4.9217 -4.9217 -4.9215 -4.9215 -4.5541 -4.5541 -4.5530 -4.5530 -4.2215 -4.2215 -4.2195 -4.2195 -3.2714 -3.2714 -3.2701 -3.2701 -2.7745 -2.7745 -2.7731 -2.7731 -0.7811 -0.7811 -0.7766 -0.7766 -0.5649 -0.5649 -0.5500 -0.5500 -0.4209 -0.4209 -0.4047 -0.4047 -0.3224 -0.3224 -0.3077 -0.3077 0.0122 0.0122 0.0143 0.0143 0.4465 0.4465 0.4621 0.4621 0.8485 0.8485 0.8727 0.8727 1.0832 1.0832 1.1061 1.1061 6.3365 6.3365 6.3394 6.3394 6.8990 6.8990 6.8990 6.8990 7.0532 7.0532 7.0557 7.0557 8.1128 8.1128 8.1175 8.1175 k = 0.5000 0.3619 0.4348 ( 9682 PWs) bands (ev): -15.9255 -15.9255 -15.9254 -15.9254 -14.4840 -14.4840 -14.4840 -14.4840 -13.2579 -13.2579 -13.2578 -13.2578 -12.7183 -12.7183 -12.7182 -12.7182 -9.9634 -9.9634 -9.9634 -9.9634 -8.4220 -8.4220 -8.4219 -8.4219 -4.9190 -4.9190 -4.9188 -4.9188 -4.5580 -4.5580 -4.5568 -4.5568 -4.2263 -4.2263 -4.2243 -4.2243 -3.2736 -3.2736 -3.2723 -3.2723 -2.7701 -2.7701 -2.7685 -2.7685 -0.7829 -0.7829 -0.7786 -0.7786 -0.5607 -0.5607 -0.5412 -0.5412 -0.4134 -0.4134 -0.3925 -0.3925 -0.3145 -0.3145 -0.2988 -0.2988 0.0104 0.0104 0.0114 0.0114 0.4424 0.4424 0.4573 0.4573 0.8467 0.8467 0.8707 0.8707 1.0766 1.0766 1.0990 1.0990 6.3312 6.3312 6.3342 6.3342 6.8908 6.8908 6.8909 6.8909 7.0514 7.0514 7.0538 7.0538 8.1217 8.1217 8.1264 8.1264 k = 0.5000 0.3428 0.4348 ( 9682 PWs) bands (ev): -15.9271 -15.9271 -15.9270 -15.9270 -14.4812 -14.4812 -14.4811 -14.4811 -13.2595 -13.2595 -13.2595 -13.2595 -12.7157 -12.7157 -12.7156 -12.7156 -9.9661 -9.9661 -9.9660 -9.9660 -8.4227 -8.4227 -8.4226 -8.4226 -4.9159 -4.9159 -4.9157 -4.9157 -4.5621 -4.5621 -4.5610 -4.5610 -4.2316 -4.2316 -4.2296 -4.2296 -3.2759 -3.2759 -3.2747 -3.2747 -2.7653 -2.7653 -2.7636 -2.7636 -0.7834 -0.7834 -0.7792 -0.7792 -0.5589 -0.5589 -0.5364 -0.5364 -0.4006 -0.4006 -0.3764 -0.3764 -0.3062 -0.3062 -0.2894 -0.2894 0.0077 0.0077 0.0079 0.0079 0.4380 0.4380 0.4522 0.4522 0.8438 0.8438 0.8673 0.8673 1.0699 1.0699 1.0915 1.0915 6.3269 6.3269 6.3300 6.3300 6.8826 6.8826 6.8826 6.8826 7.0470 7.0470 7.0494 7.0494 8.1309 8.1309 8.1357 8.1357 k = 0.5000 0.3238 0.4348 ( 9690 PWs) bands (ev): -15.9288 -15.9288 -15.9287 -15.9287 -14.4781 -14.4781 -14.4780 -14.4780 -13.2613 -13.2613 -13.2613 -13.2613 -12.7129 -12.7129 -12.7129 -12.7129 -9.9689 -9.9689 -9.9688 -9.9688 -8.4234 -8.4234 -8.4233 -8.4233 -4.9126 -4.9126 -4.9124 -4.9124 -4.5667 -4.5667 -4.5655 -4.5655 -4.2373 -4.2373 -4.2353 -4.2353 -3.2785 -3.2785 -3.2772 -3.2772 -2.7603 -2.7603 -2.7585 -2.7585 -0.7825 -0.7825 -0.7783 -0.7783 -0.5590 -0.5590 -0.5349 -0.5349 -0.3832 -0.3832 -0.3573 -0.3573 -0.2973 -0.2973 -0.2796 -0.2796 0.0035 0.0035 0.0050 0.0050 0.4333 0.4333 0.4467 0.4467 0.8395 0.8395 0.8622 0.8622 1.0635 1.0635 1.0840 1.0840 6.3237 6.3237 6.3269 6.3269 6.8742 6.8742 6.8743 6.8743 7.0401 7.0401 7.0425 7.0425 8.1406 8.1406 8.1452 8.1452 k = 0.5000 0.3047 0.4348 ( 9690 PWs) bands (ev): -15.9306 -15.9306 -15.9306 -15.9306 -14.4748 -14.4748 -14.4748 -14.4748 -13.2631 -13.2631 -13.2631 -13.2631 -12.7100 -12.7100 -12.7100 -12.7100 -9.9719 -9.9719 -9.9718 -9.9718 -8.4243 -8.4243 -8.4242 -8.4242 -4.9091 -4.9091 -4.9088 -4.9088 -4.5714 -4.5714 -4.5703 -4.5703 -4.2432 -4.2432 -4.2413 -4.2413 -3.2811 -3.2811 -3.2798 -3.2798 -2.7552 -2.7552 -2.7533 -2.7533 -0.7803 -0.7803 -0.7760 -0.7760 -0.5604 -0.5604 -0.5357 -0.5357 -0.3627 -0.3627 -0.3362 -0.3362 -0.2879 -0.2879 -0.2694 -0.2694 -0.0012 -0.0012 0.0016 0.0016 0.4285 0.4285 0.4410 0.4410 0.8335 0.8335 0.8550 0.8550 1.0577 1.0577 1.0767 1.0767 6.3219 6.3219 6.3252 6.3252 6.8659 6.8659 6.8660 6.8660 7.0308 7.0308 7.0331 7.0331 8.1504 8.1504 8.1550 8.1550 k = 0.5000 0.2857 0.4348 ( 9676 PWs) bands (ev): -15.9325 -15.9325 -15.9324 -15.9324 -14.4714 -14.4714 -14.4714 -14.4714 -13.2650 -13.2650 -13.2649 -13.2649 -12.7071 -12.7071 -12.7070 -12.7070 -9.9750 -9.9750 -9.9749 -9.9749 -8.4252 -8.4252 -8.4251 -8.4251 -4.9053 -4.9053 -4.9050 -4.9050 -4.5763 -4.5763 -4.5753 -4.5753 -4.2495 -4.2495 -4.2476 -4.2476 -3.2838 -3.2838 -3.2826 -3.2826 -2.7500 -2.7500 -2.7479 -2.7479 -0.7769 -0.7769 -0.7724 -0.7724 -0.5627 -0.5627 -0.5380 -0.5380 -0.3404 -0.3404 -0.3141 -0.3141 -0.2776 -0.2776 -0.2587 -0.2587 -0.0063 -0.0063 -0.0020 -0.0020 0.4237 0.4237 0.4353 0.4353 0.8254 0.8254 0.8454 0.8454 1.0528 1.0528 1.0701 1.0701 6.3215 6.3215 6.3248 6.3248 6.8575 6.8575 6.8576 6.8576 7.0192 7.0192 7.0215 7.0215 8.1604 8.1604 8.1649 8.1649 k = 0.5000 0.2666 0.4348 ( 9688 PWs) bands (ev): -15.9345 -15.9345 -15.9344 -15.9344 -14.4679 -14.4679 -14.4679 -14.4679 -13.2668 -13.2668 -13.2667 -13.2667 -12.7041 -12.7041 -12.7041 -12.7041 -9.9782 -9.9782 -9.9781 -9.9781 -8.4262 -8.4262 -8.4261 -8.4261 -4.9014 -4.9014 -4.9010 -4.9010 -4.5814 -4.5814 -4.5804 -4.5804 -4.2559 -4.2559 -4.2541 -4.2541 -3.2866 -3.2866 -3.2854 -3.2854 -2.7448 -2.7448 -2.7426 -2.7426 -0.7722 -0.7722 -0.7674 -0.7674 -0.5654 -0.5654 -0.5412 -0.5412 -0.3175 -0.3175 -0.2932 -0.2932 -0.2650 -0.2650 -0.2470 -0.2470 -0.0117 -0.0117 -0.0059 -0.0059 0.4191 0.4191 0.4298 0.4298 0.8150 0.8150 0.8332 0.8332 1.0490 1.0490 1.0643 1.0643 6.3225 6.3225 6.3259 6.3259 6.8492 6.8492 6.8493 6.8493 7.0057 7.0057 7.0078 7.0078 8.1704 8.1704 8.1747 8.1747 k = 0.5000 0.2476 0.4348 ( 9694 PWs) bands (ev): -15.9364 -15.9364 -15.9363 -15.9363 -14.4644 -14.4644 -14.4643 -14.4643 -13.2686 -13.2686 -13.2685 -13.2685 -12.7012 -12.7012 -12.7011 -12.7011 -9.9814 -9.9814 -9.9814 -9.9814 -8.4272 -8.4272 -8.4271 -8.4271 -4.8973 -4.8973 -4.8968 -4.8968 -4.5866 -4.5866 -4.5855 -4.5855 -4.2624 -4.2624 -4.2606 -4.2606 -3.2894 -3.2894 -3.2882 -3.2882 -2.7396 -2.7396 -2.7374 -2.7374 -0.7665 -0.7665 -0.7613 -0.7613 -0.5684 -0.5684 -0.5449 -0.5449 -0.2953 -0.2953 -0.2762 -0.2762 -0.2481 -0.2481 -0.2341 -0.2341 -0.0171 -0.0171 -0.0097 -0.0097 0.4147 0.4147 0.4245 0.4245 0.8022 0.8022 0.8185 0.8185 1.0464 1.0464 1.0595 1.0595 6.3250 6.3250 6.3284 6.3284 6.8410 6.8410 6.8412 6.8412 6.9904 6.9904 6.9924 6.9924 8.1802 8.1802 8.1844 8.1844 k = 0.5000 0.2285 0.4348 ( 9704 PWs) bands (ev): -15.9384 -15.9384 -15.9383 -15.9383 -14.4609 -14.4609 -14.4608 -14.4608 -13.2703 -13.2703 -13.2702 -13.2702 -12.6983 -12.6983 -12.6982 -12.6982 -9.9846 -9.9846 -9.9846 -9.9846 -8.4282 -8.4282 -8.4281 -8.4281 -4.8930 -4.8930 -4.8925 -4.8925 -4.5917 -4.5917 -4.5908 -4.5908 -4.2689 -4.2689 -4.2672 -4.2672 -3.2921 -3.2921 -3.2910 -3.2910 -2.7346 -2.7346 -2.7322 -2.7322 -0.7598 -0.7598 -0.7541 -0.7541 -0.5716 -0.5716 -0.5489 -0.5489 -0.2751 -0.2751 -0.2636 -0.2636 -0.2271 -0.2271 -0.2193 -0.2193 -0.0224 -0.0224 -0.0131 -0.0131 0.4109 0.4109 0.4198 0.4198 0.7869 0.7869 0.8014 0.8014 1.0448 1.0448 1.0558 1.0558 6.3290 6.3290 6.3323 6.3323 6.8330 6.8330 6.8332 6.8332 6.9737 6.9737 6.9754 6.9754 8.1898 8.1898 8.1938 8.1938 k = 0.5000 0.2095 0.4348 ( 9702 PWs) bands (ev): -15.9403 -15.9403 -15.9402 -15.9402 -14.4574 -14.4574 -14.4574 -14.4574 -13.2719 -13.2719 -13.2719 -13.2719 -12.6955 -12.6955 -12.6954 -12.6954 -9.9878 -9.9878 -9.9877 -9.9877 -8.4292 -8.4292 -8.4291 -8.4291 -4.8887 -4.8887 -4.8881 -4.8881 -4.5969 -4.5969 -4.5959 -4.5959 -4.2753 -4.2753 -4.2738 -4.2738 -3.2948 -3.2948 -3.2937 -3.2937 -2.7298 -2.7298 -2.7273 -2.7273 -0.7523 -0.7523 -0.7459 -0.7459 -0.5749 -0.5749 -0.5530 -0.5530 -0.2580 -0.2580 -0.2534 -0.2534 -0.2049 -0.2049 -0.2022 -0.2022 -0.0271 -0.0271 -0.0158 -0.0158 0.4077 0.4077 0.4157 0.4157 0.7694 0.7694 0.7821 0.7821 1.0441 1.0441 1.0531 1.0531 6.3344 6.3344 6.3377 6.3377 6.8252 6.8252 6.8255 6.8255 6.9557 6.9557 6.9572 6.9572 8.1991 8.1991 8.2029 8.2029 k = 0.5000 0.1905 0.4348 ( 9698 PWs) bands (ev): -15.9421 -15.9421 -15.9420 -15.9420 -14.4541 -14.4541 -14.4540 -14.4540 -13.2735 -13.2735 -13.2734 -13.2734 -12.6928 -12.6928 -12.6928 -12.6928 -9.9909 -9.9909 -9.9908 -9.9908 -8.4302 -8.4302 -8.4301 -8.4301 -4.8843 -4.8843 -4.8837 -4.8837 -4.6020 -4.6020 -4.6011 -4.6011 -4.2816 -4.2816 -4.2801 -4.2801 -3.2975 -3.2975 -3.2964 -3.2964 -2.7252 -2.7252 -2.7226 -2.7226 -0.7440 -0.7440 -0.7370 -0.7370 -0.5782 -0.5782 -0.5573 -0.5573 -0.2443 -0.2443 -0.2441 -0.2441 -0.1837 -0.1837 -0.1834 -0.1834 -0.0309 -0.0309 -0.0172 -0.0172 0.4056 0.4056 0.4126 0.4126 0.7499 0.7499 0.7609 0.7609 1.0442 1.0442 1.0512 1.0512 6.3411 6.3411 6.3443 6.3443 6.8178 6.8178 6.8181 6.8181 6.9369 6.9369 6.9381 6.9381 8.2079 8.2079 8.2115 8.2115 k = 0.5000 0.1714 0.4348 ( 9690 PWs) bands (ev): -15.9439 -15.9439 -15.9438 -15.9438 -14.4509 -14.4509 -14.4509 -14.4509 -13.2749 -13.2749 -13.2749 -13.2749 -12.6903 -12.6903 -12.6903 -12.6903 -9.9938 -9.9938 -9.9937 -9.9937 -8.4312 -8.4312 -8.4311 -8.4311 -4.8800 -4.8800 -4.8793 -4.8793 -4.6069 -4.6069 -4.6060 -4.6060 -4.2875 -4.2875 -4.2862 -4.2862 -3.3000 -3.3000 -3.2989 -3.2989 -2.7210 -2.7210 -2.7182 -2.7182 -0.7352 -0.7352 -0.7274 -0.7274 -0.5816 -0.5816 -0.5618 -0.5618 -0.2359 -0.2359 -0.2326 -0.2326 -0.1654 -0.1654 -0.1644 -0.1644 -0.0332 -0.0332 -0.0167 -0.0167 0.4046 0.4046 0.4107 0.4107 0.7286 0.7286 0.7382 0.7382 1.0447 1.0447 1.0501 1.0501 6.3490 6.3490 6.3521 6.3521 6.8108 6.8108 6.8111 6.8111 6.9176 6.9176 6.9186 6.9186 8.2161 8.2161 8.2196 8.2196 k = 0.5000 0.1524 0.4348 ( 9692 PWs) bands (ev): -15.9455 -15.9455 -15.9454 -15.9454 -14.4480 -14.4480 -14.4479 -14.4479 -13.2762 -13.2762 -13.2762 -13.2762 -12.6880 -12.6880 -12.6879 -12.6879 -9.9965 -9.9965 -9.9964 -9.9964 -8.4321 -8.4321 -8.4320 -8.4320 -4.8758 -4.8758 -4.8750 -4.8750 -4.6116 -4.6116 -4.6108 -4.6108 -4.2931 -4.2931 -4.2919 -4.2919 -3.3023 -3.3023 -3.3013 -3.3013 -2.7170 -2.7170 -2.7142 -2.7142 -0.7261 -0.7261 -0.7173 -0.7173 -0.5851 -0.5851 -0.5664 -0.5664 -0.2280 -0.2280 -0.2229 -0.2229 -0.1490 -0.1490 -0.1489 -0.1489 -0.0331 -0.0331 -0.0134 -0.0134 0.4050 0.4050 0.4102 0.4102 0.7059 0.7059 0.7143 0.7143 1.0456 1.0456 1.0495 1.0495 6.3578 6.3578 6.3609 6.3609 6.8041 6.8041 6.8045 6.8045 6.8983 6.8983 6.8989 6.8989 8.2237 8.2237 8.2270 8.2270 k = 0.5000 0.1333 0.4348 ( 9694 PWs) bands (ev): -15.9470 -15.9470 -15.9469 -15.9469 -14.4453 -14.4453 -14.4452 -14.4452 -13.2774 -13.2774 -13.2774 -13.2774 -12.6859 -12.6859 -12.6858 -12.6858 -9.9990 -9.9990 -9.9989 -9.9989 -8.4329 -8.4329 -8.4329 -8.4329 -4.8717 -4.8717 -4.8709 -4.8709 -4.6161 -4.6161 -4.6153 -4.6153 -4.2983 -4.2983 -4.2972 -4.2972 -3.3044 -3.3044 -3.3034 -3.3034 -2.7134 -2.7134 -2.7105 -2.7105 -0.7168 -0.7168 -0.7069 -0.7069 -0.5887 -0.5887 -0.5713 -0.5713 -0.2206 -0.2206 -0.2146 -0.2146 -0.1379 -0.1379 -0.1363 -0.1363 -0.0299 -0.0299 -0.0072 -0.0072 0.4072 0.4072 0.4114 0.4114 0.6822 0.6822 0.6896 0.6896 1.0466 1.0466 1.0494 1.0494 6.3673 6.3673 6.3703 6.3703 6.7980 6.7980 6.7984 6.7984 6.8793 6.8793 6.8796 6.8796 8.2307 8.2307 8.2338 8.2338 k = 0.5000 0.1143 0.4348 ( 9706 PWs) bands (ev): -15.9484 -15.9484 -15.9483 -15.9483 -14.4428 -14.4428 -14.4428 -14.4428 -13.2784 -13.2784 -13.2784 -13.2784 -12.6840 -12.6840 -12.6839 -12.6839 -10.0013 -10.0013 -10.0012 -10.0012 -8.4337 -8.4337 -8.4336 -8.4336 -4.8680 -4.8680 -4.8670 -4.8670 -4.6203 -4.6203 -4.6195 -4.6195 -4.3029 -4.3029 -4.3020 -4.3020 -3.3064 -3.3064 -3.3054 -3.3054 -2.7103 -2.7103 -2.7073 -2.7073 -0.7076 -0.7076 -0.6964 -0.6964 -0.5925 -0.5925 -0.5764 -0.5764 -0.2136 -0.2136 -0.2073 -0.2073 -0.1311 -0.1311 -0.1280 -0.1280 -0.0235 -0.0235 0.0017 0.0017 0.4113 0.4113 0.4145 0.4145 0.6578 0.6578 0.6645 0.6645 1.0478 1.0478 1.0495 1.0495 6.3772 6.3772 6.3800 6.3800 6.7923 6.7923 6.7927 6.7927 6.8612 6.8612 6.8613 6.8613 8.2368 8.2368 8.2398 8.2398 k = 0.5000 0.0952 0.4348 ( 9700 PWs) bands (ev): -15.9495 -15.9495 -15.9495 -15.9495 -14.4407 -14.4407 -14.4406 -14.4406 -13.2793 -13.2793 -13.2793 -13.2793 -12.6824 -12.6824 -12.6823 -12.6823 -10.0032 -10.0032 -10.0031 -10.0031 -8.4344 -8.4344 -8.4343 -8.4343 -4.8645 -4.8645 -4.8636 -4.8636 -4.6240 -4.6240 -4.6232 -4.6232 -4.3070 -4.3070 -4.3061 -4.3061 -3.3080 -3.3080 -3.3071 -3.3071 -2.7076 -2.7076 -2.7045 -2.7045 -0.6986 -0.6986 -0.6861 -0.6861 -0.5963 -0.5963 -0.5818 -0.5818 -0.2073 -0.2073 -0.2010 -0.2010 -0.1280 -0.1280 -0.1237 -0.1237 -0.0148 -0.0148 0.0120 0.0120 0.4174 0.4174 0.4197 0.4197 0.6333 0.6333 0.6396 0.6396 1.0489 1.0489 1.0497 1.0497 6.3870 6.3870 6.3896 6.3896 6.7871 6.7871 6.7876 6.7876 6.8444 6.8444 6.8447 6.8447 8.2421 8.2421 8.2450 8.2450 k = 0.5000 0.0762 0.4348 ( 9704 PWs) bands (ev): -15.9505 -15.9505 -15.9504 -15.9504 -14.4389 -14.4389 -14.4389 -14.4389 -13.2801 -13.2801 -13.2800 -13.2800 -12.6810 -12.6810 -12.6810 -12.6810 -10.0048 -10.0048 -10.0048 -10.0048 -8.4350 -8.4350 -8.4349 -8.4349 -4.8616 -4.8616 -4.8605 -4.8605 -4.6272 -4.6272 -4.6264 -4.6264 -4.3104 -4.3104 -4.3096 -4.3096 -3.3094 -3.3094 -3.3085 -3.3085 -2.7053 -2.7053 -2.7022 -2.7022 -0.6903 -0.6903 -0.6761 -0.6761 -0.6002 -0.6002 -0.5874 -0.5874 -0.2016 -0.2016 -0.1956 -0.1956 -0.1273 -0.1273 -0.1222 -0.1222 -0.0053 -0.0053 0.0224 0.0224 0.4256 0.4256 0.4270 0.4270 0.6093 0.6093 0.6153 0.6153 1.0498 1.0498 1.0501 1.0501 6.3962 6.3962 6.3986 6.3986 6.7824 6.7824 6.7828 6.7828 6.8297 6.8297 6.8302 6.8302 8.2466 8.2466 8.2494 8.2494 k = 0.5000 0.0571 0.4348 ( 9704 PWs) bands (ev): -15.9513 -15.9513 -15.9512 -15.9512 -14.4375 -14.4375 -14.4375 -14.4375 -13.2806 -13.2806 -13.2806 -13.2806 -12.6800 -12.6800 -12.6799 -12.6799 -10.0061 -10.0061 -10.0061 -10.0061 -8.4354 -8.4354 -8.4353 -8.4353 -4.8591 -4.8591 -4.8580 -4.8580 -4.6298 -4.6298 -4.6291 -4.6291 -4.3131 -4.3131 -4.3123 -4.3123 -3.3106 -3.3106 -3.3096 -3.3096 -2.7035 -2.7035 -2.7004 -2.7004 -0.6829 -0.6829 -0.6670 -0.6670 -0.6038 -0.6038 -0.5929 -0.5929 -0.1968 -0.1968 -0.1912 -0.1912 -0.1280 -0.1280 -0.1224 -0.1224 0.0034 0.0034 0.0317 0.0317 0.4356 0.4356 0.4360 0.4360 0.5865 0.5865 0.5926 0.5926 1.0504 1.0504 1.0506 1.0506 6.4043 6.4043 6.4065 6.4065 6.7781 6.7781 6.7786 6.7786 6.8178 6.8178 6.8186 6.8186 8.2501 8.2501 8.2528 8.2528 k = 0.5000 0.0381 0.4348 ( 9710 PWs) bands (ev): -15.9519 -15.9519 -15.9518 -15.9518 -14.4365 -14.4365 -14.4365 -14.4365 -13.2810 -13.2810 -13.2810 -13.2810 -12.6792 -12.6792 -12.6792 -12.6792 -10.0071 -10.0071 -10.0070 -10.0070 -8.4358 -8.4358 -8.4357 -8.4357 -4.8573 -4.8573 -4.8562 -4.8562 -4.6317 -4.6317 -4.6310 -4.6310 -4.3150 -4.3150 -4.3143 -4.3143 -3.3114 -3.3114 -3.3104 -3.3104 -2.7023 -2.7023 -2.6991 -2.6991 -0.6770 -0.6770 -0.6592 -0.6592 -0.6070 -0.6070 -0.5980 -0.5980 -0.1930 -0.1930 -0.1879 -0.1879 -0.1292 -0.1292 -0.1231 -0.1231 0.0103 0.0103 0.0389 0.0389 0.4457 0.4457 0.4463 0.4463 0.5664 0.5664 0.5728 0.5728 1.0507 1.0507 1.0512 1.0512 6.4106 6.4106 6.4127 6.4127 6.7746 6.7746 6.7749 6.7749 6.8093 6.8093 6.8102 6.8102 8.2526 8.2526 8.2553 8.2553 k = 0.5000 0.0190 0.4348 ( 9718 PWs) bands (ev): -15.9522 -15.9522 -15.9521 -15.9521 -14.4359 -14.4359 -14.4358 -14.4358 -13.2813 -13.2813 -13.2812 -13.2812 -12.6787 -12.6787 -12.6787 -12.6787 -10.0077 -10.0077 -10.0076 -10.0076 -8.4360 -8.4360 -8.4359 -8.4359 -4.8562 -4.8562 -4.8551 -4.8551 -4.6329 -4.6329 -4.6322 -4.6322 -4.3162 -4.3162 -4.3156 -4.3156 -3.3119 -3.3119 -3.3109 -3.3109 -2.7015 -2.7015 -2.6983 -2.6983 -0.6730 -0.6730 -0.6536 -0.6536 -0.6093 -0.6093 -0.6019 -0.6019 -0.1906 -0.1906 -0.1858 -0.1858 -0.1303 -0.1303 -0.1238 -0.1238 0.0147 0.0147 0.0434 0.0434 0.4540 0.4540 0.4556 0.4556 0.5513 0.5513 0.5584 0.5584 1.0508 1.0508 1.0516 1.0516 6.4146 6.4146 6.4167 6.4167 6.7721 6.7721 6.7723 6.7723 6.8043 6.8043 6.8052 6.8052 8.2541 8.2541 8.2568 8.2568 k = 0.5000-0.0000 0.4348 ( 9728 PWs) bands (ev): -15.9523 -15.9523 -15.9522 -15.9522 -14.4357 -14.4357 -14.4356 -14.4356 -13.2814 -13.2814 -13.2813 -13.2813 -12.6786 -12.6786 -12.6785 -12.6785 -10.0078 -10.0078 -10.0078 -10.0078 -8.4360 -8.4360 -8.4360 -8.4360 -4.8558 -4.8558 -4.8547 -4.8547 -4.6333 -4.6333 -4.6326 -4.6326 -4.3166 -4.3166 -4.3160 -4.3160 -3.3120 -3.3120 -3.3111 -3.3111 -2.7013 -2.7013 -2.6980 -2.6980 -0.6716 -0.6716 -0.6515 -0.6515 -0.6101 -0.6101 -0.6034 -0.6034 -0.1897 -0.1897 -0.1851 -0.1851 -0.1307 -0.1307 -0.1241 -0.1241 0.0162 0.0162 0.0450 0.0450 0.4574 0.4574 0.4596 0.4596 0.5454 0.5454 0.5529 0.5529 1.0509 1.0509 1.0517 1.0517 6.4160 6.4160 6.4180 6.4180 6.7712 6.7712 6.7714 6.7714 6.8027 6.8027 6.8036 6.8036 8.2547 8.2547 8.2573 8.2573 k = 0.5000-0.0000 0.4348 ( 9728 PWs) bands (ev): -15.9523 -15.9523 -15.9522 -15.9522 -14.4357 -14.4357 -14.4356 -14.4356 -13.2814 -13.2814 -13.2813 -13.2813 -12.6786 -12.6786 -12.6785 -12.6785 -10.0078 -10.0078 -10.0078 -10.0078 -8.4360 -8.4360 -8.4360 -8.4360 -4.8558 -4.8558 -4.8547 -4.8547 -4.6333 -4.6333 -4.6326 -4.6326 -4.3166 -4.3166 -4.3160 -4.3160 -3.3120 -3.3120 -3.3111 -3.3111 -2.7013 -2.7013 -2.6980 -2.6980 -0.6716 -0.6716 -0.6515 -0.6515 -0.6101 -0.6101 -0.6034 -0.6034 -0.1897 -0.1897 -0.1851 -0.1851 -0.1307 -0.1307 -0.1241 -0.1241 0.0162 0.0162 0.0450 0.0450 0.4574 0.4574 0.4596 0.4596 0.5454 0.5454 0.5529 0.5529 1.0509 1.0509 1.0517 1.0517 6.4160 6.4160 6.4180 6.4180 6.7712 6.7712 6.7714 6.7714 6.8027 6.8027 6.8036 6.8036 8.2547 8.2547 8.2573 8.2573 k = 0.5000-0.0000 0.4159 ( 9722 PWs) bands (ev): -15.9523 -15.9523 -15.9522 -15.9522 -14.4357 -14.4357 -14.4356 -14.4356 -13.2813 -13.2813 -13.2813 -13.2813 -12.6786 -12.6786 -12.6785 -12.6785 -10.0079 -10.0079 -10.0078 -10.0078 -8.4361 -8.4361 -8.4360 -8.4360 -4.8559 -4.8559 -4.8547 -4.8547 -4.6334 -4.6334 -4.6327 -4.6327 -4.3165 -4.3165 -4.3158 -4.3158 -3.3118 -3.3118 -3.3109 -3.3109 -2.7014 -2.7014 -2.6981 -2.6981 -0.6728 -0.6728 -0.6532 -0.6532 -0.6088 -0.6088 -0.6016 -0.6016 -0.1910 -0.1910 -0.1862 -0.1862 -0.1293 -0.1293 -0.1230 -0.1230 0.0158 0.0158 0.0443 0.0443 0.4569 0.4569 0.4591 0.4591 0.5465 0.5465 0.5540 0.5540 1.0508 1.0508 1.0517 1.0517 6.4153 6.4153 6.4173 6.4173 6.7683 6.7683 6.7685 6.7685 6.8068 6.8068 6.8077 6.8077 8.2534 8.2534 8.2560 8.2560 k = 0.5000-0.0000 0.3970 ( 9708 PWs) bands (ev): -15.9524 -15.9524 -15.9523 -15.9523 -14.4356 -14.4356 -14.4356 -14.4356 -13.2813 -13.2813 -13.2812 -13.2812 -12.6786 -12.6786 -12.6785 -12.6785 -10.0079 -10.0079 -10.0078 -10.0078 -8.4363 -8.4363 -8.4362 -8.4362 -4.8559 -4.8559 -4.8547 -4.8547 -4.6337 -4.6337 -4.6330 -4.6330 -4.3162 -4.3162 -4.3155 -4.3155 -3.3113 -3.3113 -3.3104 -3.3104 -2.7017 -2.7017 -2.6985 -2.6985 -0.6761 -0.6761 -0.6577 -0.6577 -0.6051 -0.6051 -0.5968 -0.5968 -0.1943 -0.1943 -0.1893 -0.1893 -0.1254 -0.1254 -0.1200 -0.1200 0.0147 0.0147 0.0425 0.0425 0.4556 0.4556 0.4576 0.4576 0.5499 0.5499 0.5572 0.5572 1.0507 1.0507 1.0515 1.0515 6.4132 6.4132 6.4152 6.4152 6.7623 6.7623 6.7626 6.7626 6.8164 6.8164 6.8173 6.8173 8.2495 8.2495 8.2521 8.2521 k = 0.5000-0.0000 0.3781 ( 9708 PWs) bands (ev): -15.9524 -15.9524 -15.9523 -15.9523 -14.4356 -14.4356 -14.4355 -14.4355 -13.2812 -13.2812 -13.2812 -13.2812 -12.6786 -12.6786 -12.6785 -12.6785 -10.0079 -10.0079 -10.0078 -10.0078 -8.4366 -8.4366 -8.4365 -8.4365 -4.8559 -4.8559 -4.8548 -4.8548 -4.6342 -4.6342 -4.6336 -4.6336 -4.3156 -4.3156 -4.3150 -4.3150 -3.3105 -3.3105 -3.3096 -3.3096 -2.7022 -2.7022 -2.6991 -2.6991 -0.6809 -0.6809 -0.6639 -0.6639 -0.5996 -0.5996 -0.5902 -0.5902 -0.1990 -0.1990 -0.1937 -0.1937 -0.1199 -0.1199 -0.1156 -0.1156 0.0129 0.0129 0.0395 0.0395 0.4537 0.4537 0.4554 0.4554 0.5551 0.5551 0.5624 0.5624 1.0504 1.0504 1.0511 1.0511 6.4097 6.4097 6.4118 6.4118 6.7560 6.7560 6.7563 6.7563 6.8287 6.8287 6.8296 6.8296 8.2432 8.2432 8.2458 8.2458 k = 0.5000-0.0000 0.3592 ( 9712 PWs) bands (ev): -15.9525 -15.9525 -15.9524 -15.9524 -14.4355 -14.4355 -14.4354 -14.4354 -13.2811 -13.2811 -13.2810 -13.2810 -12.6786 -12.6786 -12.6785 -12.6785 -10.0080 -10.0080 -10.0079 -10.0079 -8.4370 -8.4370 -8.4369 -8.4369 -4.8560 -4.8560 -4.8548 -4.8548 -4.6349 -4.6349 -4.6343 -4.6343 -4.3149 -4.3149 -4.3142 -4.3142 -3.3093 -3.3093 -3.3084 -3.3084 -2.7030 -2.7030 -2.6999 -2.6999 -0.6867 -0.6867 -0.6709 -0.6709 -0.5930 -0.5930 -0.5825 -0.5825 -0.2045 -0.2045 -0.1989 -0.1989 -0.1133 -0.1133 -0.1107 -0.1107 0.0105 0.0105 0.0355 0.0355 0.4513 0.4513 0.4526 0.4526 0.5620 0.5620 0.5691 0.5691 1.0499 1.0499 1.0507 1.0507 6.4050 6.4050 6.4071 6.4071 6.7505 6.7505 6.7509 6.7509 6.8425 6.8425 6.8434 6.8434 8.2346 8.2346 8.2371 8.2371 k = 0.5000-0.0000 0.3403 ( 9702 PWs) bands (ev): -15.9526 -15.9526 -15.9525 -15.9525 -14.4354 -14.4354 -14.4353 -14.4353 -13.2809 -13.2809 -13.2809 -13.2809 -12.6786 -12.6786 -12.6785 -12.6785 -10.0080 -10.0080 -10.0080 -10.0080 -8.4375 -8.4375 -8.4374 -8.4374 -4.8560 -4.8560 -4.8549 -4.8549 -4.6358 -4.6358 -4.6352 -4.6352 -4.3139 -4.3139 -4.3133 -4.3133 -3.3078 -3.3078 -3.3070 -3.3070 -2.7040 -2.7040 -2.7009 -2.7009 -0.6929 -0.6929 -0.6783 -0.6783 -0.5856 -0.5856 -0.5743 -0.5743 -0.2102 -0.2102 -0.2045 -0.2045 -0.1063 -0.1063 -0.1056 -0.1056 0.0078 0.0078 0.0305 0.0305 0.4486 0.4486 0.4497 0.4497 0.5701 0.5701 0.5771 0.5771 1.0494 1.0494 1.0501 1.0501 6.3991 6.3991 6.4012 6.4012 6.7460 6.7460 6.7466 6.7466 6.8571 6.8571 6.8582 6.8582 8.2238 8.2238 8.2263 8.2263 k = 0.5000-0.0000 0.3214 ( 9698 PWs) bands (ev): -15.9527 -15.9527 -15.9526 -15.9526 -14.4352 -14.4352 -14.4352 -14.4352 -13.2808 -13.2808 -13.2807 -13.2807 -12.6786 -12.6786 -12.6785 -12.6785 -10.0081 -10.0081 -10.0080 -10.0080 -8.4381 -8.4381 -8.4380 -8.4380 -4.8561 -4.8561 -4.8550 -4.8550 -4.6369 -4.6369 -4.6362 -4.6362 -4.3128 -4.3128 -4.3122 -4.3122 -3.3061 -3.3061 -3.3053 -3.3053 -2.7051 -2.7051 -2.7021 -2.7021 -0.6993 -0.6993 -0.6857 -0.6857 -0.5778 -0.5778 -0.5658 -0.5658 -0.2160 -0.2160 -0.2102 -0.2102 -0.1010 -0.1010 -0.0991 -0.0991 0.0050 0.0050 0.0248 0.0248 0.4459 0.4459 0.4466 0.4466 0.5792 0.5792 0.5862 0.5862 1.0488 1.0488 1.0494 1.0494 6.3923 6.3923 6.3944 6.3944 6.7428 6.7428 6.7434 6.7434 6.8725 6.8725 6.8735 6.8735 8.2112 8.2112 8.2135 8.2135 k = 0.5000-0.0000 0.3025 ( 9698 PWs) bands (ev): -15.9528 -15.9528 -15.9527 -15.9527 -14.4351 -14.4351 -14.4350 -14.4350 -13.2805 -13.2805 -13.2805 -13.2805 -12.6786 -12.6786 -12.6785 -12.6785 -10.0082 -10.0082 -10.0081 -10.0081 -8.4388 -8.4388 -8.4387 -8.4387 -4.8562 -4.8562 -4.8552 -4.8552 -4.6380 -4.6380 -4.6375 -4.6375 -4.3116 -4.3116 -4.3110 -4.3110 -3.3041 -3.3041 -3.3033 -3.3033 -2.7064 -2.7064 -2.7036 -2.7036 -0.7057 -0.7057 -0.6931 -0.6931 -0.5697 -0.5697 -0.5572 -0.5572 -0.2216 -0.2216 -0.2158 -0.2158 -0.0973 -0.0973 -0.0922 -0.0922 0.0025 0.0025 0.0186 0.0186 0.4431 0.4431 0.4436 0.4436 0.5891 0.5891 0.5960 0.5960 1.0481 1.0481 1.0486 1.0486 6.3847 6.3847 6.3868 6.3868 6.7407 6.7407 6.7414 6.7414 6.8882 6.8882 6.8893 6.8893 8.1969 8.1969 8.1991 8.1991 k = 0.5000-0.0000 0.2836 ( 9684 PWs) bands (ev): -15.9529 -15.9529 -15.9529 -15.9529 -14.4349 -14.4349 -14.4348 -14.4348 -13.2803 -13.2803 -13.2803 -13.2803 -12.6786 -12.6786 -12.6785 -12.6785 -10.0083 -10.0083 -10.0082 -10.0082 -8.4396 -8.4396 -8.4395 -8.4395 -4.8563 -4.8563 -4.8553 -4.8553 -4.6393 -4.6393 -4.6388 -4.6388 -4.3102 -4.3102 -4.3096 -4.3096 -3.3019 -3.3019 -3.3012 -3.3012 -2.7079 -2.7079 -2.7051 -2.7051 -0.7120 -0.7120 -0.7004 -0.7004 -0.5614 -0.5614 -0.5486 -0.5486 -0.2269 -0.2269 -0.2211 -0.2211 -0.0948 -0.0948 -0.0860 -0.0860 0.0005 0.0005 0.0123 0.0123 0.4405 0.4405 0.4408 0.4408 0.5995 0.5995 0.6064 0.6064 1.0473 1.0473 1.0477 1.0477 6.3764 6.3764 6.3785 6.3785 6.7397 6.7397 6.7405 6.7405 6.9042 6.9042 6.9052 6.9052 8.1813 8.1813 8.1834 8.1834 k = 0.5000-0.0000 0.2647 ( 9686 PWs) bands (ev): -15.9531 -15.9531 -15.9530 -15.9530 -14.4347 -14.4347 -14.4346 -14.4346 -13.2801 -13.2801 -13.2800 -13.2800 -12.6786 -12.6786 -12.6785 -12.6785 -10.0084 -10.0084 -10.0084 -10.0084 -8.4404 -8.4404 -8.4403 -8.4403 -4.8564 -4.8564 -4.8554 -4.8554 -4.6407 -4.6407 -4.6402 -4.6402 -4.3087 -4.3087 -4.3082 -4.3082 -3.2996 -3.2996 -3.2988 -3.2988 -2.7095 -2.7095 -2.7068 -2.7068 -0.7182 -0.7182 -0.7074 -0.7074 -0.5531 -0.5531 -0.5400 -0.5400 -0.2318 -0.2318 -0.2260 -0.2260 -0.0938 -0.0938 -0.0808 -0.0808 -0.0007 -0.0007 0.0063 0.0063 0.4381 0.4381 0.4381 0.4381 0.6102 0.6102 0.6170 0.6170 1.0464 1.0464 1.0467 1.0467 6.3677 6.3677 6.3697 6.3697 6.7398 6.7398 6.7406 6.7406 6.9202 6.9202 6.9212 6.9212 8.1646 8.1646 8.1666 8.1666 k = 0.5000-0.0000 0.2458 ( 9690 PWs) bands (ev): -15.9532 -15.9532 -15.9532 -15.9532 -14.4345 -14.4345 -14.4344 -14.4344 -13.2798 -13.2798 -13.2798 -13.2798 -12.6786 -12.6786 -12.6785 -12.6785 -10.0085 -10.0085 -10.0085 -10.0085 -8.4413 -8.4413 -8.4412 -8.4412 -4.8565 -4.8565 -4.8556 -4.8556 -4.6421 -4.6421 -4.6416 -4.6416 -4.3072 -4.3072 -4.3067 -4.3067 -3.2970 -3.2970 -3.2964 -3.2964 -2.7112 -2.7112 -2.7086 -2.7086 -0.7241 -0.7241 -0.7141 -0.7141 -0.5448 -0.5448 -0.5317 -0.5317 -0.2363 -0.2363 -0.2306 -0.2306 -0.0945 -0.0945 -0.0772 -0.0772 -0.0008 -0.0008 0.0012 0.0012 0.4356 0.4356 0.4357 0.4357 0.6212 0.6212 0.6279 0.6279 1.0454 1.0454 1.0457 1.0457 6.3587 6.3587 6.3607 6.3607 6.7406 6.7406 6.7414 6.7414 6.9360 6.9360 6.9370 6.9370 8.1472 8.1472 8.1491 8.1491 k = 0.5000-0.0000 0.2269 ( 9690 PWs) bands (ev): -15.9534 -15.9534 -15.9533 -15.9533 -14.4343 -14.4343 -14.4342 -14.4342 -13.2796 -13.2796 -13.2795 -13.2795 -12.6786 -12.6786 -12.6785 -12.6785 -10.0087 -10.0087 -10.0086 -10.0086 -8.4422 -8.4422 -8.4421 -8.4421 -4.8566 -4.8566 -4.8557 -4.8557 -4.6436 -4.6436 -4.6431 -4.6431 -4.3056 -4.3056 -4.3051 -4.3051 -3.2945 -3.2945 -3.2938 -3.2938 -2.7129 -2.7129 -2.7105 -2.7105 -0.7296 -0.7296 -0.7205 -0.7205 -0.5365 -0.5365 -0.5235 -0.5235 -0.2404 -0.2404 -0.2348 -0.2348 -0.0969 -0.0969 -0.0757 -0.0757 -0.0024 -0.0024 0.0002 0.0002 0.4333 0.4333 0.4336 0.4336 0.6321 0.6321 0.6386 0.6386 1.0445 1.0445 1.0446 1.0446 6.3497 6.3497 6.3516 6.3516 6.7421 6.7421 6.7429 6.7429 6.9516 6.9516 6.9525 6.9525 8.1294 8.1294 8.1312 8.1312 k = 0.5000-0.0000 0.2080 ( 9692 PWs) bands (ev): -15.9536 -15.9536 -15.9535 -15.9535 -14.4341 -14.4341 -14.4340 -14.4340 -13.2793 -13.2793 -13.2793 -13.2793 -12.6786 -12.6786 -12.6785 -12.6785 -10.0088 -10.0088 -10.0087 -10.0087 -8.4431 -8.4431 -8.4430 -8.4430 -4.8567 -4.8567 -4.8559 -4.8559 -4.6450 -4.6450 -4.6446 -4.6446 -4.3040 -4.3040 -4.3036 -4.3036 -3.2918 -3.2918 -3.2913 -3.2913 -2.7147 -2.7147 -2.7125 -2.7125 -0.7348 -0.7348 -0.7265 -0.7265 -0.5284 -0.5284 -0.5156 -0.5156 -0.2440 -0.2440 -0.2385 -0.2385 -0.1007 -0.1007 -0.0768 -0.0768 -0.0041 -0.0041 0.0021 0.0021 0.4312 0.4312 0.4316 0.4316 0.6429 0.6429 0.6492 0.6492 1.0435 1.0435 1.0435 1.0435 6.3407 6.3407 6.3425 6.3425 6.7442 6.7442 6.7450 6.7450 6.9667 6.9667 6.9675 6.9675 8.1115 8.1115 8.1132 8.1132 k = 0.5000-0.0000 0.1890 ( 9696 PWs) bands (ev): -15.9537 -15.9537 -15.9536 -15.9536 -14.4339 -14.4339 -14.4338 -14.4338 -13.2790 -13.2790 -13.2790 -13.2790 -12.6786 -12.6786 -12.6785 -12.6785 -10.0089 -10.0089 -10.0089 -10.0089 -8.4440 -8.4440 -8.4439 -8.4439 -4.8568 -4.8568 -4.8561 -4.8561 -4.6464 -4.6464 -4.6460 -4.6460 -4.3025 -4.3025 -4.3021 -4.3021 -3.2892 -3.2892 -3.2887 -3.2887 -2.7165 -2.7165 -2.7144 -2.7144 -0.7397 -0.7397 -0.7321 -0.7321 -0.5205 -0.5205 -0.5081 -0.5081 -0.2472 -0.2472 -0.2418 -0.2418 -0.1056 -0.1056 -0.0803 -0.0803 -0.0037 -0.0037 0.0046 0.0046 0.4293 0.4293 0.4298 0.4298 0.6535 0.6535 0.6595 0.6595 1.0424 1.0424 1.0424 1.0424 6.3320 6.3320 6.3337 6.3337 6.7466 6.7466 6.7474 6.7474 6.9811 6.9811 6.9819 6.9819 8.0939 8.0939 8.0954 8.0954 k = 0.5000-0.0000 0.1701 ( 9694 PWs) bands (ev): -15.9539 -15.9539 -15.9538 -15.9538 -14.4337 -14.4337 -14.4336 -14.4336 -13.2788 -13.2788 -13.2788 -13.2788 -12.6786 -12.6786 -12.6785 -12.6785 -10.0090 -10.0090 -10.0090 -10.0090 -8.4448 -8.4448 -8.4448 -8.4448 -4.8569 -4.8569 -4.8562 -4.8562 -4.6478 -4.6478 -4.6474 -4.6474 -4.3010 -4.3010 -4.3006 -4.3006 -3.2866 -3.2866 -3.2862 -3.2862 -2.7183 -2.7183 -2.7164 -2.7164 -0.7441 -0.7441 -0.7372 -0.7372 -0.5128 -0.5128 -0.5009 -0.5009 -0.2500 -0.2500 -0.2447 -0.2447 -0.1110 -0.1110 -0.0858 -0.0858 -0.0018 -0.0018 0.0075 0.0075 0.4276 0.4276 0.4282 0.4282 0.6635 0.6635 0.6692 0.6692 1.0413 1.0413 1.0414 1.0414 6.3237 6.3237 6.3253 6.3253 6.7493 6.7493 6.7500 6.7500 6.9949 6.9949 6.9956 6.9956 8.0768 8.0768 8.0782 8.0782 k = 0.5000-0.0000 0.1512 ( 9696 PWs) bands (ev): -15.9540 -15.9540 -15.9539 -15.9539 -14.4335 -14.4335 -14.4334 -14.4334 -13.2786 -13.2786 -13.2785 -13.2785 -12.6786 -12.6786 -12.6785 -12.6785 -10.0091 -10.0091 -10.0091 -10.0091 -8.4457 -8.4457 -8.4456 -8.4456 -4.8570 -4.8570 -4.8564 -4.8564 -4.6491 -4.6491 -4.6488 -4.6488 -4.2996 -4.2996 -4.2992 -4.2992 -3.2841 -3.2841 -3.2837 -3.2837 -2.7199 -2.7199 -2.7182 -2.7182 -0.7480 -0.7480 -0.7420 -0.7420 -0.5055 -0.5055 -0.4943 -0.4943 -0.2523 -0.2523 -0.2472 -0.2472 -0.1168 -0.1168 -0.0925 -0.0925 0.0012 0.0012 0.0105 0.0105 0.4260 0.4260 0.4267 0.4267 0.6730 0.6730 0.6783 0.6783 1.0403 1.0403 1.0404 1.0404 6.3160 6.3160 6.3174 6.3174 6.7521 6.7521 6.7527 6.7527 7.0077 7.0077 7.0083 7.0083 8.0605 8.0605 8.0618 8.0618 k = 0.5000-0.0000 0.1323 ( 9698 PWs) bands (ev): -15.9542 -15.9542 -15.9541 -15.9541 -14.4333 -14.4333 -14.4333 -14.4333 -13.2783 -13.2783 -13.2783 -13.2783 -12.6786 -12.6786 -12.6785 -12.6785 -10.0092 -10.0092 -10.0092 -10.0092 -8.4464 -8.4464 -8.4464 -8.4464 -4.8570 -4.8570 -4.8565 -4.8565 -4.6503 -4.6503 -4.6500 -4.6500 -4.2983 -4.2983 -4.2980 -4.2980 -3.2818 -3.2818 -3.2815 -3.2815 -2.7215 -2.7215 -2.7200 -2.7200 -0.7515 -0.7515 -0.7462 -0.7462 -0.4986 -0.4986 -0.4882 -0.4882 -0.2542 -0.2542 -0.2494 -0.2494 -0.1225 -0.1225 -0.0999 -0.0999 0.0046 0.0046 0.0134 0.0134 0.4247 0.4247 0.4254 0.4254 0.6818 0.6818 0.6866 0.6866 1.0393 1.0393 1.0395 1.0395 6.3089 6.3089 6.3101 6.3101 6.7549 6.7549 6.7554 6.7554 7.0194 7.0194 7.0200 7.0200 8.0454 8.0454 8.0465 8.0465 k = 0.5000-0.0000 0.1134 ( 9698 PWs) bands (ev): -15.9543 -15.9543 -15.9542 -15.9542 -14.4332 -14.4332 -14.4331 -14.4331 -13.2781 -13.2781 -13.2781 -13.2781 -12.6786 -12.6786 -12.6785 -12.6785 -10.0093 -10.0093 -10.0093 -10.0093 -8.4471 -8.4471 -8.4471 -8.4471 -4.8571 -4.8571 -4.8567 -4.8567 -4.6514 -4.6514 -4.6511 -4.6511 -4.2971 -4.2971 -4.2968 -4.2968 -3.2797 -3.2797 -3.2794 -3.2794 -2.7229 -2.7229 -2.7216 -2.7216 -0.7545 -0.7545 -0.7500 -0.7500 -0.4921 -0.4921 -0.4828 -0.4828 -0.2557 -0.2557 -0.2513 -0.2513 -0.1278 -0.1278 -0.1074 -0.1074 0.0082 0.0082 0.0161 0.0161 0.4236 0.4236 0.4242 0.4242 0.6898 0.6898 0.6941 0.6941 1.0384 1.0384 1.0386 1.0386 6.3025 6.3025 6.3036 6.3036 6.7575 6.7575 6.7579 6.7579 7.0300 7.0300 7.0304 7.0304 8.0316 8.0316 8.0326 8.0326 k = 0.5000-0.0000 0.0945 ( 9698 PWs) bands (ev): -15.9544 -15.9544 -15.9543 -15.9543 -14.4330 -14.4330 -14.4330 -14.4330 -13.2779 -13.2779 -13.2779 -13.2779 -12.6786 -12.6786 -12.6785 -12.6785 -10.0094 -10.0094 -10.0094 -10.0094 -8.4477 -8.4477 -8.4477 -8.4477 -4.8572 -4.8572 -4.8568 -4.8568 -4.6523 -4.6523 -4.6521 -4.6521 -4.2960 -4.2960 -4.2958 -4.2958 -3.2778 -3.2778 -3.2776 -3.2776 -2.7242 -2.7242 -2.7231 -2.7231 -0.7570 -0.7570 -0.7532 -0.7532 -0.4863 -0.4863 -0.4782 -0.4782 -0.2569 -0.2569 -0.2529 -0.2529 -0.1324 -0.1324 -0.1147 -0.1147 0.0117 0.0117 0.0185 0.0185 0.4226 0.4226 0.4232 0.4232 0.6968 0.6968 0.7005 0.7005 1.0376 1.0376 1.0378 1.0378 6.2970 6.2970 6.2979 6.2979 6.7599 6.7599 6.7603 6.7603 7.0392 7.0392 7.0395 7.0395 8.0195 8.0195 8.0204 8.0204 k = 0.5000-0.0000 0.0756 ( 9700 PWs) bands (ev): -15.9545 -15.9545 -15.9544 -15.9544 -14.4329 -14.4329 -14.4329 -14.4329 -13.2778 -13.2778 -13.2778 -13.2778 -12.6786 -12.6786 -12.6785 -12.6785 -10.0095 -10.0095 -10.0094 -10.0094 -8.4483 -8.4483 -8.4482 -8.4482 -4.8572 -4.8572 -4.8569 -4.8569 -4.6531 -4.6531 -4.6529 -4.6529 -4.2951 -4.2951 -4.2949 -4.2949 -3.2762 -3.2762 -3.2760 -3.2760 -2.7253 -2.7253 -2.7244 -2.7244 -0.7590 -0.7590 -0.7560 -0.7560 -0.4811 -0.4811 -0.4744 -0.4744 -0.2577 -0.2577 -0.2543 -0.2543 -0.1362 -0.1362 -0.1215 -0.1215 0.0148 0.0148 0.0204 0.0204 0.4219 0.4219 0.4223 0.4223 0.7028 0.7028 0.7058 0.7058 1.0369 1.0369 1.0371 1.0371 6.2924 6.2924 6.2931 6.2931 6.7619 6.7619 6.7623 6.7623 7.0469 7.0469 7.0472 7.0472 8.0093 8.0093 8.0100 8.0100 k = 0.5000-0.0000 0.0567 ( 9692 PWs) bands (ev): -15.9546 -15.9546 -15.9545 -15.9545 -14.4328 -14.4328 -14.4328 -14.4328 -13.2777 -13.2777 -13.2776 -13.2776 -12.6786 -12.6786 -12.6785 -12.6785 -10.0095 -10.0095 -10.0095 -10.0095 -8.4487 -8.4487 -8.4486 -8.4486 -4.8572 -4.8572 -4.8570 -4.8570 -4.6537 -4.6537 -4.6536 -4.6536 -4.2944 -4.2944 -4.2943 -4.2943 -3.2750 -3.2750 -3.2748 -3.2748 -2.7261 -2.7261 -2.7254 -2.7254 -0.7605 -0.7605 -0.7582 -0.7582 -0.4768 -0.4768 -0.4716 -0.4716 -0.2582 -0.2582 -0.2555 -0.2555 -0.1388 -0.1388 -0.1275 -0.1275 0.0175 0.0175 0.0218 0.0218 0.4213 0.4213 0.4217 0.4217 0.7076 0.7076 0.7099 0.7099 1.0364 1.0364 1.0366 1.0366 6.2888 6.2888 6.2893 6.2893 6.7636 6.7636 6.7639 6.7639 7.0531 7.0531 7.0533 7.0533 8.0012 8.0012 8.0017 8.0017 k = 0.5000-0.0000 0.0378 ( 9694 PWs) bands (ev): -15.9546 -15.9546 -15.9545 -15.9545 -14.4328 -14.4328 -14.4327 -14.4327 -13.2776 -13.2776 -13.2775 -13.2775 -12.6786 -12.6786 -12.6785 -12.6785 -10.0096 -10.0096 -10.0095 -10.0095 -8.4490 -8.4490 -8.4490 -8.4490 -4.8572 -4.8572 -4.8571 -4.8571 -4.6542 -4.6542 -4.6541 -4.6541 -4.2939 -4.2939 -4.2938 -4.2938 -3.2740 -3.2740 -3.2739 -3.2739 -2.7267 -2.7267 -2.7262 -2.7262 -0.7614 -0.7614 -0.7599 -0.7599 -0.4733 -0.4733 -0.4698 -0.4698 -0.2584 -0.2584 -0.2565 -0.2565 -0.1402 -0.1402 -0.1325 -0.1325 0.0197 0.0197 0.0226 0.0226 0.4209 0.4209 0.4211 0.4211 0.7112 0.7112 0.7128 0.7128 1.0360 1.0360 1.0361 1.0361 6.2862 6.2862 6.2866 6.2866 6.7649 6.7649 6.7650 6.7650 7.0576 7.0576 7.0577 7.0577 7.9952 7.9952 7.9956 7.9956 k = 0.5000-0.0000 0.0189 ( 9684 PWs) bands (ev): -15.9546 -15.9546 -15.9546 -15.9546 -14.4327 -14.4327 -14.4327 -14.4327 -13.2775 -13.2775 -13.2775 -13.2775 -12.6786 -12.6786 -12.6785 -12.6785 -10.0096 -10.0096 -10.0096 -10.0096 -8.4492 -8.4492 -8.4491 -8.4491 -4.8572 -4.8572 -4.8571 -4.8571 -4.6544 -4.6544 -4.6543 -4.6543 -4.2936 -4.2936 -4.2935 -4.2935 -3.2734 -3.2734 -3.2734 -3.2734 -2.7270 -2.7270 -2.7267 -2.7267 -0.7619 -0.7619 -0.7611 -0.7611 -0.4708 -0.4708 -0.4690 -0.4690 -0.2583 -0.2583 -0.2573 -0.2573 -0.1403 -0.1403 -0.1364 -0.1364 0.0213 0.0213 0.0228 0.0228 0.4207 0.4207 0.4208 0.4208 0.7136 0.7136 0.7144 0.7144 1.0358 1.0358 1.0359 1.0359 6.2846 6.2846 6.2848 6.2848 6.7656 6.7656 6.7658 6.7658 7.0603 7.0603 7.0604 7.0604 7.9917 7.9917 7.9919 7.9919 k = 0.5000-0.0000-0.0000 ( 9690 PWs) bands (ev): -15.9547 -15.9547 -15.9546 -15.9546 -14.4327 -14.4327 -14.4326 -14.4326 -13.2775 -13.2775 -13.2775 -13.2775 -12.6786 -12.6786 -12.6785 -12.6785 -10.0096 -10.0096 -10.0096 -10.0096 -8.4492 -8.4492 -8.4492 -8.4492 -4.8572 -4.8572 -4.8572 -4.8572 -4.6545 -4.6545 -4.6544 -4.6544 -4.2935 -4.2935 -4.2934 -4.2934 -3.2732 -3.2732 -3.2732 -3.2732 -2.7270 -2.7270 -2.7270 -2.7270 -0.7618 -0.7618 -0.7617 -0.7617 -0.4694 -0.4694 -0.4694 -0.4694 -0.2579 -0.2579 -0.2579 -0.2579 -0.1390 -0.1390 -0.1390 -0.1390 0.0223 0.0223 0.0224 0.0224 0.4207 0.4207 0.4207 0.4207 0.7146 0.7146 0.7147 0.7147 1.0357 1.0357 1.0358 1.0358 6.2842 6.2842 6.2842 6.2842 6.7659 6.7659 6.7660 6.7660 7.0612 7.0612 7.0613 7.0613 7.9905 7.9905 7.9906 7.9906 k = 0.0000 0.0000 0.4348 ( 9706 PWs) bands (ev): -15.9834 -15.9834 -15.9833 -15.9833 -14.4289 -14.4289 -14.4288 -14.4288 -13.1892 -13.1892 -13.1892 -13.1892 -12.6624 -12.6624 -12.6623 -12.6623 -10.1295 -10.1295 -10.1294 -10.1294 -8.4149 -8.4149 -8.4149 -8.4149 -4.9806 -4.9806 -4.9805 -4.9805 -4.6357 -4.6357 -4.6356 -4.6356 -4.1922 -4.1922 -4.1921 -4.1921 -3.5827 -3.5827 -3.5827 -3.5827 -2.6895 -2.6895 -2.6894 -2.6894 -0.7517 -0.7517 -0.7517 -0.7517 -0.2597 -0.2597 -0.2597 -0.2597 -0.0019 -0.0019 -0.0019 -0.0019 0.0322 0.0322 0.0322 0.0322 0.1933 0.1933 0.1933 0.1933 0.3845 0.3845 0.3845 0.3845 0.5788 0.5788 0.5788 0.5788 0.8733 0.8733 0.8733 0.8733 6.3409 6.3409 6.3410 6.3410 6.6741 6.6741 6.6742 6.6742 6.9292 6.9292 6.9292 6.9292 8.3395 8.3395 8.3396 8.3396 k = 0.0192-0.0000 0.4348 ( 9712 PWs) bands (ev): -15.9833 -15.9833 -15.9832 -15.9832 -14.4289 -14.4289 -14.4289 -14.4289 -13.1896 -13.1896 -13.1896 -13.1896 -12.6624 -12.6624 -12.6624 -12.6624 -10.1290 -10.1290 -10.1290 -10.1290 -8.4150 -8.4150 -8.4150 -8.4150 -4.9803 -4.9803 -4.9802 -4.9802 -4.6356 -4.6356 -4.6356 -4.6356 -4.1928 -4.1928 -4.1927 -4.1927 -3.5814 -3.5814 -3.5814 -3.5814 -2.6899 -2.6899 -2.6897 -2.6897 -0.7524 -0.7524 -0.7510 -0.7510 -0.2611 -0.2611 -0.2583 -0.2583 -0.0077 -0.0077 -0.0056 -0.0056 0.0341 0.0341 0.0365 0.0365 0.1894 0.1894 0.1969 0.1969 0.3823 0.3823 0.3862 0.3862 0.5779 0.5779 0.5782 0.5782 0.8742 0.8742 0.8743 0.8743 6.3406 6.3406 6.3408 6.3408 6.6740 6.6740 6.6740 6.6740 6.9298 6.9298 6.9301 6.9301 8.3392 8.3392 8.3394 8.3394 k = 0.0385-0.0000 0.4348 ( 9718 PWs) bands (ev): -15.9830 -15.9830 -15.9829 -15.9829 -14.4290 -14.4290 -14.4289 -14.4289 -13.1907 -13.1907 -13.1907 -13.1907 -12.6625 -12.6625 -12.6625 -12.6625 -10.1277 -10.1277 -10.1276 -10.1276 -8.4152 -8.4152 -8.4152 -8.4152 -4.9793 -4.9793 -4.9791 -4.9791 -4.6354 -4.6354 -4.6354 -4.6354 -4.1945 -4.1945 -4.1944 -4.1944 -3.5776 -3.5776 -3.5775 -3.5775 -2.6912 -2.6912 -2.6907 -2.6907 -0.7531 -0.7531 -0.7503 -0.7503 -0.2625 -0.2625 -0.2569 -0.2569 -0.0201 -0.0201 -0.0155 -0.0155 0.0392 0.0392 0.0434 0.0434 0.1854 0.1854 0.1998 0.1998 0.3797 0.3797 0.3873 0.3873 0.5757 0.5757 0.5764 0.5764 0.8771 0.8771 0.8772 0.8772 6.3398 6.3398 6.3402 6.3402 6.6736 6.6736 6.6736 6.6736 6.9317 6.9317 6.9323 6.9323 8.3382 8.3382 8.3387 8.3387 k = 0.0577-0.0000 0.4348 ( 9712 PWs) bands (ev): -15.9824 -15.9824 -15.9823 -15.9823 -14.4291 -14.4291 -14.4290 -14.4290 -13.1925 -13.1925 -13.1925 -13.1925 -12.6627 -12.6627 -12.6627 -12.6627 -10.1255 -10.1255 -10.1254 -10.1254 -8.4156 -8.4156 -8.4155 -8.4155 -4.9775 -4.9775 -4.9773 -4.9773 -4.6351 -4.6351 -4.6350 -4.6350 -4.1974 -4.1974 -4.1972 -4.1972 -3.5712 -3.5712 -3.5712 -3.5712 -2.6931 -2.6931 -2.6923 -2.6923 -0.7537 -0.7537 -0.7495 -0.7495 -0.2640 -0.2640 -0.2558 -0.2558 -0.0354 -0.0354 -0.0284 -0.0284 0.0446 0.0446 0.0499 0.0499 0.1812 0.1812 0.2018 0.2018 0.3770 0.3770 0.3879 0.3879 0.5723 0.5723 0.5734 0.5734 0.8816 0.8816 0.8819 0.8819 6.3386 6.3386 6.3392 6.3392 6.6730 6.6730 6.6731 6.6731 6.9349 6.9349 6.9356 6.9356 8.3366 8.3366 8.3374 8.3374 k = 0.0769-0.0000 0.4348 ( 9712 PWs) bands (ev): -15.9817 -15.9817 -15.9816 -15.9816 -14.4292 -14.4292 -14.4291 -14.4291 -13.1950 -13.1950 -13.1949 -13.1949 -12.6630 -12.6630 -12.6630 -12.6630 -10.1225 -10.1225 -10.1224 -10.1224 -8.4161 -8.4161 -8.4160 -8.4160 -4.9752 -4.9752 -4.9748 -4.9748 -4.6346 -4.6346 -4.6346 -4.6346 -4.2012 -4.2012 -4.2009 -4.2009 -3.5626 -3.5626 -3.5625 -3.5625 -2.6956 -2.6956 -2.6946 -2.6946 -0.7541 -0.7541 -0.7487 -0.7487 -0.2659 -0.2659 -0.2552 -0.2552 -0.0523 -0.0523 -0.0429 -0.0429 0.0491 0.0491 0.0548 0.0548 0.1769 0.1769 0.2022 0.2022 0.3744 0.3744 0.3880 0.3880 0.5682 0.5682 0.5698 0.5698 0.8877 0.8877 0.8880 0.8880 6.3372 6.3372 6.3379 6.3379 6.6724 6.6724 6.6726 6.6726 6.9389 6.9389 6.9399 6.9399 8.3344 8.3344 8.3354 8.3354 k = 0.0962-0.0000 0.4348 ( 9712 PWs) bands (ev): -15.9807 -15.9807 -15.9806 -15.9806 -14.4294 -14.4294 -14.4293 -14.4293 -13.1981 -13.1981 -13.1980 -13.1980 -12.6633 -12.6633 -12.6633 -12.6633 -10.1186 -10.1186 -10.1186 -10.1186 -8.4167 -8.4167 -8.4167 -8.4167 -4.9721 -4.9721 -4.9717 -4.9717 -4.6341 -4.6341 -4.6340 -4.6340 -4.2059 -4.2059 -4.2056 -4.2056 -3.5518 -3.5518 -3.5517 -3.5517 -2.6987 -2.6987 -2.6974 -2.6974 -0.7544 -0.7544 -0.7478 -0.7478 -0.2685 -0.2685 -0.2555 -0.2555 -0.0697 -0.0697 -0.0582 -0.0582 0.0523 0.0523 0.0577 0.0577 0.1722 0.1722 0.2008 0.2008 0.3721 0.3721 0.3876 0.3876 0.5636 0.5636 0.5659 0.5659 0.8950 0.8950 0.8954 0.8954 6.3357 6.3357 6.3365 6.3365 6.6719 6.6719 6.6721 6.6721 6.9435 6.9435 6.9447 6.9447 8.3314 8.3314 8.3327 8.3327 k = 0.1154-0.0000 0.4348 ( 9702 PWs) bands (ev): -15.9796 -15.9796 -15.9795 -15.9795 -14.4295 -14.4295 -14.4295 -14.4295 -13.2018 -13.2018 -13.2017 -13.2017 -12.6638 -12.6638 -12.6638 -12.6638 -10.1141 -10.1141 -10.1141 -10.1141 -8.4174 -8.4174 -8.4174 -8.4174 -4.9684 -4.9684 -4.9679 -4.9679 -4.6335 -4.6335 -4.6334 -4.6334 -4.2114 -4.2114 -4.2110 -4.2110 -3.5391 -3.5391 -3.5390 -3.5390 -2.7022 -2.7022 -2.7007 -2.7007 -0.7544 -0.7544 -0.7467 -0.7467 -0.2722 -0.2722 -0.2574 -0.2574 -0.0871 -0.0871 -0.0739 -0.0739 0.0540 0.0540 0.0583 0.0583 0.1669 0.1669 0.1974 0.1974 0.3704 0.3704 0.3871 0.3871 0.5591 0.5591 0.5621 0.5621 0.9033 0.9033 0.9038 0.9038 6.3342 6.3342 6.3352 6.3352 6.6716 6.6716 6.6719 6.6719 6.9483 6.9483 6.9497 6.9497 8.3277 8.3277 8.3292 8.3292 k = 0.1346-0.0000 0.4348 ( 9706 PWs) bands (ev): -15.9783 -15.9783 -15.9782 -15.9782 -14.4298 -14.4298 -14.4297 -14.4297 -13.2059 -13.2059 -13.2059 -13.2059 -12.6643 -12.6643 -12.6643 -12.6643 -10.1089 -10.1089 -10.1088 -10.1088 -8.4183 -8.4183 -8.4183 -8.4183 -4.9640 -4.9640 -4.9634 -4.9634 -4.6328 -4.6328 -4.6327 -4.6327 -4.2175 -4.2175 -4.2171 -4.2171 -3.5248 -3.5248 -3.5247 -3.5247 -2.7060 -2.7060 -2.7043 -2.7043 -0.7541 -0.7541 -0.7455 -0.7455 -0.2775 -0.2775 -0.2614 -0.2614 -0.1037 -0.1037 -0.0892 -0.0892 0.0541 0.0541 0.0569 0.0569 0.1608 0.1608 0.1920 0.1920 0.3693 0.3693 0.3864 0.3864 0.5550 0.5550 0.5587 0.5587 0.9124 0.9124 0.9129 0.9129 6.3331 6.3331 6.3341 6.3341 6.6716 6.6716 6.6719 6.6719 6.9529 6.9529 6.9544 6.9544 8.3232 8.3232 8.3249 8.3249 k = 0.1538-0.0000 0.4348 ( 9712 PWs) bands (ev): -15.9768 -15.9768 -15.9768 -15.9768 -14.4300 -14.4300 -14.4300 -14.4300 -13.2106 -13.2106 -13.2105 -13.2105 -12.6649 -12.6649 -12.6649 -12.6649 -10.1031 -10.1031 -10.1031 -10.1031 -8.4193 -8.4193 -8.4192 -8.4192 -4.9590 -4.9590 -4.9584 -4.9584 -4.6321 -4.6321 -4.6320 -4.6320 -4.2241 -4.2241 -4.2236 -4.2236 -3.5092 -3.5092 -3.5091 -3.5091 -2.7100 -2.7100 -2.7080 -2.7080 -0.7535 -0.7535 -0.7440 -0.7440 -0.2848 -0.2848 -0.2682 -0.2682 -0.1188 -0.1188 -0.1038 -0.1038 0.0525 0.0525 0.0532 0.0532 0.1540 0.1540 0.1848 0.1848 0.3688 0.3688 0.3858 0.3858 0.5515 0.5515 0.5560 0.5560 0.9221 0.9221 0.9226 0.9226 6.3324 6.3324 6.3335 6.3335 6.6720 6.6720 6.6724 6.6724 6.9569 6.9569 6.9585 6.9585 8.3181 8.3181 8.3199 8.3199 k = 0.1731-0.0000 0.4348 ( 9712 PWs) bands (ev): -15.9753 -15.9753 -15.9752 -15.9752 -14.4303 -14.4303 -14.4303 -14.4303 -13.2156 -13.2156 -13.2155 -13.2155 -12.6657 -12.6657 -12.6656 -12.6656 -10.0968 -10.0968 -10.0968 -10.0968 -8.4203 -8.4203 -8.4203 -8.4203 -4.9535 -4.9535 -4.9528 -4.9528 -4.6315 -4.6315 -4.6314 -4.6314 -4.2311 -4.2311 -4.2306 -4.2306 -3.4926 -3.4926 -3.4925 -3.4925 -2.7139 -2.7139 -2.7117 -2.7117 -0.7524 -0.7524 -0.7423 -0.7423 -0.2946 -0.2946 -0.2784 -0.2784 -0.1318 -0.1318 -0.1170 -0.1170 0.0475 0.0475 0.0489 0.0489 0.1465 0.1465 0.1762 0.1762 0.3689 0.3689 0.3854 0.3854 0.5490 0.5490 0.5541 0.5541 0.9321 0.9321 0.9326 0.9326 6.3324 6.3324 6.3335 6.3335 6.6728 6.6728 6.6733 6.6733 6.9599 6.9599 6.9616 6.9616 8.3124 8.3124 8.3144 8.3144 k = 0.1923-0.0000 0.4348 ( 9714 PWs) bands (ev): -15.9736 -15.9736 -15.9735 -15.9735 -14.4307 -14.4307 -14.4306 -14.4306 -13.2208 -13.2208 -13.2208 -13.2208 -12.6664 -12.6664 -12.6664 -12.6664 -10.0901 -10.0901 -10.0900 -10.0900 -8.4215 -8.4215 -8.4214 -8.4214 -4.9474 -4.9474 -4.9466 -4.9466 -4.6309 -4.6309 -4.6307 -4.6307 -4.2383 -4.2383 -4.2378 -4.2378 -3.4753 -3.4753 -3.4752 -3.4752 -2.7177 -2.7177 -2.7153 -2.7153 -0.7509 -0.7509 -0.7401 -0.7401 -0.3072 -0.3072 -0.2922 -0.2922 -0.1424 -0.1424 -0.1287 -0.1287 0.0398 0.0398 0.0433 0.0433 0.1383 0.1383 0.1667 0.1667 0.3697 0.3697 0.3855 0.3855 0.5474 0.5474 0.5531 0.5531 0.9423 0.9423 0.9429 0.9429 6.3333 6.3333 6.3343 6.3343 6.6741 6.6741 6.6747 6.6747 6.9617 6.9617 6.9634 6.9634 8.3063 8.3063 8.3085 8.3085 k = 0.2115-0.0000 0.4348 ( 9712 PWs) bands (ev): -15.9718 -15.9718 -15.9717 -15.9717 -14.4310 -14.4310 -14.4309 -14.4309 -13.2263 -13.2263 -13.2262 -13.2262 -12.6673 -12.6673 -12.6673 -12.6673 -10.0831 -10.0831 -10.0830 -10.0830 -8.4227 -8.4227 -8.4226 -8.4226 -4.9409 -4.9409 -4.9401 -4.9401 -4.6304 -4.6304 -4.6302 -4.6302 -4.2456 -4.2456 -4.2451 -4.2451 -3.4577 -3.4577 -3.4576 -3.4576 -2.7210 -2.7210 -2.7184 -2.7184 -0.7489 -0.7489 -0.7376 -0.7376 -0.3225 -0.3225 -0.3094 -0.3094 -0.1509 -0.1509 -0.1388 -0.1388 0.0303 0.0303 0.0356 0.0356 0.1296 0.1296 0.1567 0.1567 0.3712 0.3712 0.3863 0.3863 0.5467 0.5467 0.5528 0.5528 0.9527 0.9527 0.9532 0.9532 6.3350 6.3350 6.3360 6.3360 6.6760 6.6760 6.6766 6.6766 6.9619 6.9619 6.9637 6.9637 8.3000 8.3000 8.3023 8.3023 k = 0.2308-0.0000 0.4348 ( 9712 PWs) bands (ev): -15.9700 -15.9700 -15.9699 -15.9699 -14.4314 -14.4314 -14.4313 -14.4313 -13.2318 -13.2318 -13.2318 -13.2318 -12.6682 -12.6682 -12.6682 -12.6682 -10.0759 -10.0759 -10.0758 -10.0758 -8.4239 -8.4239 -8.4239 -8.4239 -4.9340 -4.9340 -4.9331 -4.9331 -4.6300 -4.6300 -4.6297 -4.6297 -4.2530 -4.2530 -4.2525 -4.2525 -3.4401 -3.4401 -3.4400 -3.4400 -2.7239 -2.7239 -2.7211 -2.7211 -0.7464 -0.7464 -0.7347 -0.7347 -0.3404 -0.3404 -0.3293 -0.3293 -0.1577 -0.1577 -0.1474 -0.1474 0.0192 0.0192 0.0259 0.0259 0.1203 0.1203 0.1465 0.1465 0.3736 0.3736 0.3878 0.3878 0.5468 0.5468 0.5531 0.5531 0.9630 0.9630 0.9635 0.9635 6.3378 6.3378 6.3386 6.3386 6.6783 6.6783 6.6790 6.6790 6.9605 6.9605 6.9622 6.9622 8.2937 8.2937 8.2961 8.2961 k = 0.2500-0.0000 0.4348 ( 9710 PWs) bands (ev): -15.9681 -15.9681 -15.9680 -15.9680 -14.4318 -14.4318 -14.4317 -14.4317 -13.2374 -13.2374 -13.2373 -13.2373 -12.6692 -12.6692 -12.6692 -12.6692 -10.0685 -10.0685 -10.0685 -10.0685 -8.4252 -8.4252 -8.4251 -8.4251 -4.9267 -4.9267 -4.9258 -4.9258 -4.6297 -4.6297 -4.6294 -4.6294 -4.2603 -4.2603 -4.2598 -4.2598 -3.4229 -3.4229 -3.4227 -3.4227 -2.7260 -2.7260 -2.7231 -2.7230 -0.7434 -0.7434 -0.7314 -0.7314 -0.3603 -0.3603 -0.3514 -0.3514 -0.1633 -0.1633 -0.1547 -0.1547 0.0070 0.0070 0.0145 0.0145 0.1106 0.1106 0.1361 0.1361 0.3771 0.3771 0.3904 0.3904 0.5474 0.5474 0.5539 0.5539 0.9732 0.9732 0.9736 0.9736 6.3417 6.3417 6.3423 6.3423 6.6811 6.6811 6.6818 6.6818 6.9572 6.9572 6.9589 6.9589 8.2876 8.2876 8.2901 8.2901 k = 0.2692-0.0000 0.4348 ( 9702 PWs) bands (ev): -15.9662 -15.9662 -15.9661 -15.9661 -14.4322 -14.4322 -14.4321 -14.4321 -13.2429 -13.2429 -13.2428 -13.2428 -12.6702 -12.6702 -12.6702 -12.6702 -10.0612 -10.0612 -10.0611 -10.0611 -8.4265 -8.4265 -8.4264 -8.4264 -4.9192 -4.9192 -4.9182 -4.9182 -4.6295 -4.6295 -4.6292 -4.6292 -4.2675 -4.2675 -4.2669 -4.2669 -3.4063 -3.4063 -3.4061 -3.4061 -2.7272 -2.7272 -2.7242 -2.7242 -0.7398 -0.7398 -0.7276 -0.7276 -0.3819 -0.3819 -0.3749 -0.3749 -0.1680 -0.1680 -0.1611 -0.1611 -0.0061 -0.0061 0.0017 0.0017 0.1005 0.1005 0.1257 0.1257 0.3816 0.3816 0.3940 0.3940 0.5483 0.5483 0.5549 0.5549 0.9832 0.9832 0.9835 0.9835 6.3466 6.3466 6.3470 6.3470 6.6844 6.6844 6.6852 6.6852 6.9519 6.9519 6.9536 6.9536 8.2819 8.2819 8.2844 8.2844 k = 0.2885-0.0000 0.4348 ( 9704 PWs) bands (ev): -15.9644 -15.9644 -15.9643 -15.9643 -14.4326 -14.4326 -14.4326 -14.4326 -13.2483 -13.2483 -13.2482 -13.2482 -12.6712 -12.6712 -12.6712 -12.6712 -10.0540 -10.0540 -10.0539 -10.0539 -8.4277 -8.4277 -8.4277 -8.4277 -4.9116 -4.9116 -4.9106 -4.9106 -4.6295 -4.6295 -4.6291 -4.6291 -4.2744 -4.2744 -4.2738 -4.2738 -3.3907 -3.3907 -3.3905 -3.3905 -2.7276 -2.7276 -2.7244 -2.7244 -0.7357 -0.7357 -0.7233 -0.7233 -0.4047 -0.4047 -0.3993 -0.3993 -0.1723 -0.1723 -0.1666 -0.1666 -0.0196 -0.0196 -0.0121 -0.0121 0.0902 0.0902 0.1153 0.1153 0.3873 0.3873 0.3987 0.3987 0.5494 0.5494 0.5560 0.5560 0.9928 0.9928 0.9930 0.9930 6.3524 6.3524 6.3527 6.3527 6.6883 6.6883 6.6891 6.6891 6.9447 6.9447 6.9464 6.9464 8.2766 8.2766 8.2791 8.2791 k = 0.3077-0.0000 0.4348 ( 9710 PWs) bands (ev): -15.9626 -15.9626 -15.9625 -15.9625 -14.4330 -14.4330 -14.4330 -14.4330 -13.2534 -13.2534 -13.2534 -13.2534 -12.6723 -12.6723 -12.6722 -12.6722 -10.0470 -10.0470 -10.0469 -10.0469 -8.4290 -8.4290 -8.4289 -8.4289 -4.9040 -4.9040 -4.9029 -4.9029 -4.6296 -4.6296 -4.6292 -4.6292 -4.2810 -4.2810 -4.2804 -4.2804 -3.3763 -3.3763 -3.3760 -3.3760 -2.7269 -2.7269 -2.7237 -2.7237 -0.7311 -0.7311 -0.7185 -0.7185 -0.4281 -0.4281 -0.4242 -0.4242 -0.1760 -0.1760 -0.1716 -0.1716 -0.0332 -0.0332 -0.0264 -0.0264 0.0797 0.0797 0.1050 0.1050 0.3940 0.3940 0.4043 0.4043 0.5504 0.5504 0.5570 0.5570 1.0020 1.0020 1.0021 1.0021 6.3591 6.3591 6.3592 6.3592 6.6927 6.6927 6.6935 6.6935 6.9357 6.9357 6.9373 6.9373 8.2719 8.2719 8.2745 8.2745 k = 0.3269-0.0000 0.4348 ( 9712 PWs) bands (ev): -15.9608 -15.9608 -15.9607 -15.9607 -14.4335 -14.4335 -14.4334 -14.4334 -13.2583 -13.2583 -13.2583 -13.2583 -12.6733 -12.6733 -12.6732 -12.6732 -10.0403 -10.0403 -10.0402 -10.0402 -8.4302 -8.4302 -8.4301 -8.4301 -4.8964 -4.8964 -4.8954 -4.8954 -4.6298 -4.6298 -4.6294 -4.6294 -4.2872 -4.2872 -4.2866 -4.2866 -3.3633 -3.3633 -3.3629 -3.3629 -2.7253 -2.7253 -2.7220 -2.7220 -0.7260 -0.7260 -0.7133 -0.7133 -0.4518 -0.4518 -0.4489 -0.4489 -0.1794 -0.1794 -0.1760 -0.1760 -0.0468 -0.0468 -0.0409 -0.0409 0.0694 0.0694 0.0950 0.0950 0.4015 0.4015 0.4107 0.4107 0.5512 0.5512 0.5577 0.5577 1.0106 1.0106 1.0107 1.0107 6.3663 6.3663 6.3665 6.3665 6.6978 6.6978 6.6985 6.6985 6.9248 6.9248 6.9264 6.9264 8.2678 8.2678 8.2704 8.2704 k = 0.3462-0.0000 0.4348 ( 9700 PWs) bands (ev): -15.9592 -15.9592 -15.9591 -15.9591 -14.4339 -14.4339 -14.4338 -14.4338 -13.2628 -13.2628 -13.2628 -13.2628 -12.6742 -12.6742 -12.6742 -12.6742 -10.0340 -10.0340 -10.0340 -10.0340 -8.4313 -8.4313 -8.4312 -8.4312 -4.8891 -4.8891 -4.8880 -4.8880 -4.6302 -4.6302 -4.6297 -4.6297 -4.2930 -4.2930 -4.2924 -4.2924 -3.3517 -3.3517 -3.3513 -3.3513 -2.7229 -2.7229 -2.7196 -2.7196 -0.7204 -0.7204 -0.7076 -0.7076 -0.4752 -0.4752 -0.4733 -0.4733 -0.1823 -0.1823 -0.1799 -0.1799 -0.0599 -0.0599 -0.0554 -0.0554 0.0594 0.0594 0.0854 0.0854 0.4096 0.4096 0.4177 0.4177 0.5516 0.5516 0.5581 0.5581 1.0185 1.0185 1.0187 1.0187 6.3738 6.3738 6.3744 6.3744 6.7035 6.7035 6.7042 6.7042 6.9125 6.9125 6.9139 6.9139 8.2644 8.2644 8.2671 8.2671 k = 0.3654-0.0000 0.4348 ( 9704 PWs) bands (ev): -15.9577 -15.9577 -15.9576 -15.9576 -14.4343 -14.4343 -14.4342 -14.4342 -13.2670 -13.2670 -13.2669 -13.2669 -12.6752 -12.6752 -12.6751 -12.6751 -10.0283 -10.0283 -10.0282 -10.0282 -8.4323 -8.4323 -8.4322 -8.4322 -4.8822 -4.8822 -4.8811 -4.8811 -4.6306 -4.6306 -4.6301 -4.6301 -4.2982 -4.2982 -4.2976 -4.2976 -3.3418 -3.3418 -3.3412 -3.3412 -2.7198 -2.7198 -2.7165 -2.7165 -0.7143 -0.7143 -0.7013 -0.7013 -0.4982 -0.4982 -0.4969 -0.4969 -0.1846 -0.1846 -0.1831 -0.1831 -0.0725 -0.0725 -0.0695 -0.0695 0.0500 0.0500 0.0766 0.0766 0.4180 0.4180 0.4251 0.4251 0.5515 0.5515 0.5580 0.5580 1.0258 1.0258 1.0261 1.0261 6.3816 6.3816 6.3824 6.3824 6.7100 6.7100 6.7107 6.7107 6.8987 6.8987 6.9000 6.9000 8.2617 8.2617 8.2643 8.2643 k = 0.3846-0.0000 0.4348 ( 9712 PWs) bands (ev): -15.9563 -15.9563 -15.9562 -15.9562 -14.4346 -14.4346 -14.4345 -14.4345 -13.2707 -13.2707 -13.2706 -13.2706 -12.6760 -12.6760 -12.6760 -12.6760 -10.0231 -10.0231 -10.0230 -10.0230 -8.4332 -8.4332 -8.4332 -8.4332 -4.8758 -4.8758 -4.8747 -4.8747 -4.6311 -4.6311 -4.6306 -4.6306 -4.3029 -4.3029 -4.3023 -4.3023 -3.3334 -3.3334 -3.3328 -3.3328 -2.7163 -2.7163 -2.7129 -2.7129 -0.7077 -0.7077 -0.6945 -0.6945 -0.5203 -0.5203 -0.5193 -0.5193 -0.1863 -0.1863 -0.1857 -0.1857 -0.0843 -0.0843 -0.0829 -0.0829 0.0415 0.0415 0.0685 0.0685 0.4264 0.4264 0.4324 0.4324 0.5511 0.5511 0.5576 0.5576 1.0322 1.0322 1.0326 1.0326 6.3893 6.3893 6.3903 6.3903 6.7174 6.7174 6.7179 6.7179 6.8840 6.8840 6.8852 6.8852 8.2595 8.2595 8.2621 8.2621 k = 0.4038-0.0000 0.4348 ( 9712 PWs) bands (ev): -15.9551 -15.9551 -15.9551 -15.9551 -14.4349 -14.4349 -14.4349 -14.4349 -13.2739 -13.2739 -13.2738 -13.2738 -12.6768 -12.6768 -12.6767 -12.6767 -10.0186 -10.0186 -10.0185 -10.0185 -8.4341 -8.4341 -8.4340 -8.4340 -4.8701 -4.8701 -4.8689 -4.8689 -4.6316 -4.6316 -4.6311 -4.6311 -4.3070 -4.3070 -4.3064 -4.3064 -3.3265 -3.3265 -3.3258 -3.3258 -2.7125 -2.7125 -2.7092 -2.7092 -0.7007 -0.7007 -0.6872 -0.6872 -0.5413 -0.5413 -0.5403 -0.5403 -0.1877 -0.1877 -0.1872 -0.1872 -0.0954 -0.0954 -0.0951 -0.0951 0.0340 0.0340 0.0615 0.0615 0.4345 0.4345 0.4395 0.4395 0.5502 0.5502 0.5569 0.5569 1.0378 1.0378 1.0383 1.0383 6.3965 6.3965 6.3978 6.3978 6.7256 6.7256 6.7261 6.7261 6.8685 6.8685 6.8696 6.8696 8.2578 8.2578 8.2604 8.2604 k = 0.4231-0.0000 0.4348 ( 9710 PWs) bands (ev): -15.9542 -15.9542 -15.9541 -15.9541 -14.4352 -14.4352 -14.4351 -14.4351 -13.2765 -13.2765 -13.2765 -13.2765 -12.6774 -12.6774 -12.6774 -12.6774 -10.0148 -10.0148 -10.0147 -10.0147 -8.4348 -8.4348 -8.4347 -8.4347 -4.8652 -4.8652 -4.8640 -4.8640 -4.6322 -4.6322 -4.6315 -4.6315 -4.3104 -4.3104 -4.3098 -4.3098 -3.3211 -3.3211 -3.3203 -3.3203 -2.7090 -2.7090 -2.7057 -2.7057 -0.6934 -0.6934 -0.6793 -0.6793 -0.5607 -0.5607 -0.5595 -0.5595 -0.1889 -0.1889 -0.1875 -0.1875 -0.1067 -0.1067 -0.1047 -0.1047 0.0277 0.0277 0.0557 0.0557 0.4419 0.4419 0.4461 0.4461 0.5490 0.5490 0.5559 0.5559 1.0424 1.0424 1.0431 1.0431 6.4030 6.4030 6.4046 6.4046 6.7348 6.7348 6.7353 6.7353 6.8526 6.8526 6.8536 6.8536 8.2565 8.2565 8.2592 8.2592 k = 0.4423-0.0000 0.4348 ( 9712 PWs) bands (ev): -15.9534 -15.9534 -15.9533 -15.9533 -14.4354 -14.4354 -14.4353 -14.4353 -13.2786 -13.2786 -13.2786 -13.2786 -12.6779 -12.6779 -12.6779 -12.6779 -10.0118 -10.0118 -10.0117 -10.0117 -8.4353 -8.4353 -8.4352 -8.4352 -4.8612 -4.8612 -4.8600 -4.8600 -4.6326 -4.6326 -4.6320 -4.6320 -4.3131 -4.3131 -4.3124 -4.3124 -3.3170 -3.3170 -3.3162 -3.3162 -2.7058 -2.7058 -2.7025 -2.7025 -0.6860 -0.6860 -0.6709 -0.6709 -0.5784 -0.5784 -0.5764 -0.5764 -0.1896 -0.1896 -0.1870 -0.1870 -0.1164 -0.1164 -0.1127 -0.1127 0.0227 0.0227 0.0510 0.0510 0.4483 0.4483 0.4516 0.4516 0.5477 0.5477 0.5548 0.5548 1.0461 1.0461 1.0468 1.0468 6.4085 6.4085 6.4102 6.4102 6.7449 6.7449 6.7454 6.7454 6.8369 6.8369 6.8378 6.8378 8.2557 8.2557 8.2583 8.2583 k = 0.4615-0.0000 0.4348 ( 9714 PWs) bands (ev): -15.9528 -15.9528 -15.9527 -15.9527 -14.4356 -14.4356 -14.4355 -14.4355 -13.2801 -13.2801 -13.2801 -13.2801 -12.6783 -12.6783 -12.6782 -12.6782 -10.0096 -10.0096 -10.0095 -10.0095 -8.4357 -8.4357 -8.4356 -8.4356 -4.8582 -4.8582 -4.8571 -4.8571 -4.6330 -4.6330 -4.6323 -4.6323 -4.3150 -4.3150 -4.3144 -4.3144 -3.3142 -3.3142 -3.3133 -3.3133 -2.7033 -2.7033 -2.7001 -2.7001 -0.6791 -0.6791 -0.6624 -0.6624 -0.5937 -0.5937 -0.5903 -0.5903 -0.1898 -0.1898 -0.1863 -0.1863 -0.1240 -0.1240 -0.1189 -0.1189 0.0191 0.0191 0.0477 0.0477 0.4532 0.4532 0.4560 0.4560 0.5465 0.5465 0.5538 0.5538 1.0488 1.0488 1.0495 1.0495 6.4126 6.4126 6.4145 6.4145 6.7557 6.7557 6.7560 6.7560 6.8218 6.8218 6.8227 6.8227 8.2551 8.2551 8.2577 8.2577 k = 0.4808-0.0000 0.4348 ( 9722 PWs) bands (ev): -15.9524 -15.9524 -15.9523 -15.9523 -14.4357 -14.4357 -14.4356 -14.4356 -13.2811 -13.2811 -13.2810 -13.2810 -12.6785 -12.6785 -12.6785 -12.6785 -10.0083 -10.0083 -10.0082 -10.0082 -8.4360 -8.4360 -8.4359 -8.4359 -4.8565 -4.8565 -4.8553 -4.8553 -4.6332 -4.6332 -4.6325 -4.6325 -4.3162 -4.3162 -4.3156 -4.3156 -3.3126 -3.3126 -3.3116 -3.3116 -2.7018 -2.7018 -2.6985 -2.6985 -0.6737 -0.6737 -0.6549 -0.6549 -0.6053 -0.6053 -0.5999 -0.5999 -0.1898 -0.1898 -0.1855 -0.1855 -0.1289 -0.1289 -0.1227 -0.1227 0.0169 0.0169 0.0456 0.0456 0.4563 0.4563 0.4587 0.4587 0.5457 0.5457 0.5531 0.5531 1.0504 1.0504 1.0512 1.0512 6.4151 6.4151 6.4171 6.4171 6.7659 6.7659 6.7662 6.7662 6.8089 6.8089 6.8097 6.8097 8.2548 8.2548 8.2574 8.2574 k = 0.5000-0.0000 0.4348 ( 9728 PWs) bands (ev): -15.9523 -15.9523 -15.9522 -15.9522 -14.4357 -14.4357 -14.4356 -14.4356 -13.2814 -13.2814 -13.2813 -13.2813 -12.6786 -12.6786 -12.6785 -12.6785 -10.0078 -10.0078 -10.0078 -10.0078 -8.4360 -8.4360 -8.4360 -8.4360 -4.8558 -4.8558 -4.8547 -4.8547 -4.6333 -4.6333 -4.6326 -4.6326 -4.3166 -4.3166 -4.3160 -4.3160 -3.3120 -3.3120 -3.3111 -3.3111 -2.7013 -2.7013 -2.6980 -2.6980 -0.6716 -0.6716 -0.6515 -0.6515 -0.6101 -0.6101 -0.6034 -0.6034 -0.1897 -0.1897 -0.1851 -0.1851 -0.1307 -0.1307 -0.1241 -0.1241 0.0162 0.0162 0.0450 0.0450 0.4574 0.4574 0.4596 0.4596 0.5454 0.5454 0.5529 0.5529 1.0509 1.0509 1.0517 1.0517 6.4160 6.4160 6.4180 6.4180 6.7712 6.7712 6.7714 6.7714 6.8027 6.8027 6.8036 6.8036 8.2547 8.2547 8.2573 8.2573 Writing output data file HCCl2.save init_run : 0.67s CPU 0.82s WALL ( 1 calls) electrons : 371.58s CPU 375.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 371.57s CPU 375.13s 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 : 0.11s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.11s WALL ( 227 calls) cegterg : 339.68s CPU 342.47s WALL ( 239 calls) Called by sum_band: Called by *egterg: h_psi : 188.00s CPU 190.90s WALL ( 4185 calls) s_psi : 20.66s CPU 20.53s WALL ( 4185 calls) g_psi : 0.32s CPU 0.31s WALL ( 3719 calls) cdiaghg : 117.56s CPU 117.76s WALL ( 3946 calls) cegterg:over : 18.00s CPU 17.95s WALL ( 3719 calls) cegterg:upda : 10.59s CPU 10.60s WALL ( 3719 calls) cegterg:last : 6.68s CPU 6.63s WALL ( 693 calls) cdiaghg:chol : 4.87s CPU 4.84s WALL ( 3946 calls) cdiaghg:inve : 3.57s CPU 3.72s WALL ( 3946 calls) cdiaghg:para : 7.94s CPU 8.10s WALL ( 7892 calls) Called by h_psi: h_psi:vloc : 154.06s CPU 156.72s WALL ( 4185 calls) h_psi:vnl : 33.66s CPU 33.90s WALL ( 4185 calls) add_vuspsi : 17.16s CPU 17.21s WALL ( 4185 calls) General routines calbec : 16.49s CPU 16.67s WALL ( 4185 calls) fft : 0.04s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 147.39s CPU 149.84s WALL ( 862200 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.28s WALL ( 454 calls) Parallel routines fft_scatter : 102.75s CPU 104.37s WALL ( 862223 calls) PWSCF : 7m 9.24s CPU 7m39.04s WALL This run was terminated on: 6:19:58 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=