Program PWSCF v.5.1.1 starts on 18Jun2016 at 5:39:43 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./Cu2HgI4.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 91 46 13 4565 1692 255 Max 92 47 14 4570 1715 260 Sum 4373 2253 641 219199 81947 12333 bravais-lattice index = 14 lattice parameter (alat) = 11.4895 a.u. unit-cell volume = 1530.4468 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.489534 celldm(2)= 1.000000 celldm(3)= 1.009046 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.009046 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.991035 ) PseudoPot. # 1 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) I 7.00 126.90450 I( 1.00) Cu 11.00 63.54600 Cu( 1.00) 8 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E C2 2S4 -2S4 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 0.00 1.41 -1.41 0.00 0.00 G_7 2.00 -2.00 0.00 -1.41 1.41 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C2' -2C2' 3 -3 4 -4 2s_d -2s_d 5 -5 6 -6 2S4 7 8 -E -1 -2S4 -7 -8 Cartesian axes number of k points= 265 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0000000 0.0192308 -0.0000000), wk = 0.0037736 k( 3) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0037736 k( 4) = ( 0.0000000 0.0576923 -0.0000000), wk = 0.0037736 k( 5) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0037736 k( 6) = ( 0.0000000 0.0961538 -0.0000000), wk = 0.0037736 k( 7) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0037736 k( 8) = ( 0.0000000 0.1346154 -0.0000000), wk = 0.0037736 k( 9) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0037736 k( 10) = ( 0.0000000 0.1730769 -0.0000000), wk = 0.0037736 k( 11) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0037736 k( 12) = ( 0.0000000 0.2115385 -0.0000000), wk = 0.0037736 k( 13) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0037736 k( 14) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0037736 k( 15) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0037736 k( 16) = ( 0.0000000 0.2884615 -0.0000000), wk = 0.0037736 k( 17) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0037736 k( 18) = ( 0.0000000 0.3269231 -0.0000000), wk = 0.0037736 k( 19) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0037736 k( 20) = ( 0.0000000 0.3653846 -0.0000000), wk = 0.0037736 k( 21) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0037736 k( 22) = ( 0.0000000 0.4038462 -0.0000000), wk = 0.0037736 k( 23) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0037736 k( 24) = ( 0.0000000 0.4423077 -0.0000000), wk = 0.0037736 k( 25) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0037736 k( 26) = ( 0.0000000 0.4807692 -0.0000000), wk = 0.0037736 k( 27) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037736 k( 28) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037736 k( 29) = ( 0.0192308 0.5000000 -0.0000000), wk = 0.0037736 k( 30) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0037736 k( 31) = ( 0.0576923 0.5000000 -0.0000000), wk = 0.0037736 k( 32) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0037736 k( 33) = ( 0.0961538 0.5000000 -0.0000000), wk = 0.0037736 k( 34) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0037736 k( 35) = ( 0.1346154 0.5000000 -0.0000000), wk = 0.0037736 k( 36) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0037736 k( 37) = ( 0.1730769 0.5000000 -0.0000000), wk = 0.0037736 k( 38) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0037736 k( 39) = ( 0.2115385 0.5000000 -0.0000000), wk = 0.0037736 k( 40) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0037736 k( 41) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0037736 k( 42) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0037736 k( 43) = ( 0.2884615 0.5000000 -0.0000000), wk = 0.0037736 k( 44) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0037736 k( 45) = ( 0.3269231 0.5000000 -0.0000000), wk = 0.0037736 k( 46) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0037736 k( 47) = ( 0.3653846 0.5000000 -0.0000000), wk = 0.0037736 k( 48) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0037736 k( 49) = ( 0.4038462 0.5000000 -0.0000000), wk = 0.0037736 k( 50) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0037736 k( 51) = ( 0.4423077 0.5000000 -0.0000000), wk = 0.0037736 k( 52) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0037736 k( 53) = ( 0.4807692 0.5000000 -0.0000000), wk = 0.0037736 k( 54) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037736 k( 55) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037736 k( 56) = ( 0.4864865 0.4864865 -0.0000000), wk = 0.0037736 k( 57) = ( 0.4729730 0.4729730 -0.0000000), wk = 0.0037736 k( 58) = ( 0.4594595 0.4594595 -0.0000000), wk = 0.0037736 k( 59) = ( 0.4459459 0.4459459 -0.0000000), wk = 0.0037736 k( 60) = ( 0.4324324 0.4324324 -0.0000000), wk = 0.0037736 k( 61) = ( 0.4189189 0.4189189 -0.0000000), wk = 0.0037736 k( 62) = ( 0.4054054 0.4054054 -0.0000000), wk = 0.0037736 k( 63) = ( 0.3918919 0.3918919 -0.0000000), wk = 0.0037736 k( 64) = ( 0.3783784 0.3783784 -0.0000000), wk = 0.0037736 k( 65) = ( 0.3648649 0.3648649 -0.0000000), wk = 0.0037736 k( 66) = ( 0.3513514 0.3513513 -0.0000000), wk = 0.0037736 k( 67) = ( 0.3378378 0.3378378 -0.0000000), wk = 0.0037736 k( 68) = ( 0.3243243 0.3243243 -0.0000000), wk = 0.0037736 k( 69) = ( 0.3108108 0.3108108 -0.0000000), wk = 0.0037736 k( 70) = ( 0.2972973 0.2972973 -0.0000000), wk = 0.0037736 k( 71) = ( 0.2837838 0.2837838 -0.0000000), wk = 0.0037736 k( 72) = ( 0.2702703 0.2702703 -0.0000000), wk = 0.0037736 k( 73) = ( 0.2567568 0.2567568 -0.0000000), wk = 0.0037736 k( 74) = ( 0.2432432 0.2432432 -0.0000000), wk = 0.0037736 k( 75) = ( 0.2297297 0.2297297 -0.0000000), wk = 0.0037736 k( 76) = ( 0.2162162 0.2162162 -0.0000000), wk = 0.0037736 k( 77) = ( 0.2027027 0.2027027 -0.0000000), wk = 0.0037736 k( 78) = ( 0.1891892 0.1891892 -0.0000000), wk = 0.0037736 k( 79) = ( 0.1756757 0.1756757 -0.0000000), wk = 0.0037736 k( 80) = ( 0.1621622 0.1621622 -0.0000000), wk = 0.0037736 k( 81) = ( 0.1486486 0.1486486 -0.0000000), wk = 0.0037736 k( 82) = ( 0.1351351 0.1351351 -0.0000000), wk = 0.0037736 k( 83) = ( 0.1216216 0.1216216 -0.0000000), wk = 0.0037736 k( 84) = ( 0.1081081 0.1081081 -0.0000000), wk = 0.0037736 k( 85) = ( 0.0945946 0.0945946 -0.0000000), wk = 0.0037736 k( 86) = ( 0.0810811 0.0810811 -0.0000000), wk = 0.0037736 k( 87) = ( 0.0675676 0.0675676 -0.0000000), wk = 0.0037736 k( 88) = ( 0.0540540 0.0540540 -0.0000000), wk = 0.0037736 k( 89) = ( 0.0405405 0.0405405 -0.0000000), wk = 0.0037736 k( 90) = ( 0.0270270 0.0270270 -0.0000000), wk = 0.0037736 k( 91) = ( 0.0135135 0.0135135 -0.0000000), wk = 0.0037736 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 93) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 94) = ( 0.0000000 0.0000000 0.0190584), wk = 0.0037736 k( 95) = ( 0.0000000 0.0000000 0.0381167), wk = 0.0037736 k( 96) = ( 0.0000000 0.0000000 0.0571751), wk = 0.0037736 k( 97) = ( 0.0000000 0.0000000 0.0762335), wk = 0.0037736 k( 98) = ( 0.0000000 0.0000000 0.0952918), wk = 0.0037736 k( 99) = ( 0.0000000 0.0000000 0.1143502), wk = 0.0037736 k( 100) = ( 0.0000000 0.0000000 0.1334086), wk = 0.0037736 k( 101) = ( 0.0000000 0.0000000 0.1524669), wk = 0.0037736 k( 102) = ( 0.0000000 0.0000000 0.1715253), wk = 0.0037736 k( 103) = ( 0.0000000 0.0000000 0.1905837), wk = 0.0037736 k( 104) = ( 0.0000000 0.0000000 0.2096420), wk = 0.0037736 k( 105) = ( 0.0000000 0.0000000 0.2287004), wk = 0.0037736 k( 106) = ( 0.0000000 0.0000000 0.2477588), wk = 0.0037736 k( 107) = ( 0.0000000 0.0000000 0.2668171), wk = 0.0037736 k( 108) = ( 0.0000000 0.0000000 0.2858755), wk = 0.0037736 k( 109) = ( 0.0000000 0.0000000 0.3049339), wk = 0.0037736 k( 110) = ( 0.0000000 0.0000000 0.3239922), wk = 0.0037736 k( 111) = ( 0.0000000 0.0000000 0.3430506), wk = 0.0037736 k( 112) = ( 0.0000000 0.0000000 0.3621090), wk = 0.0037736 k( 113) = ( 0.0000000 0.0000000 0.3811673), wk = 0.0037736 k( 114) = ( 0.0000000 0.0000000 0.4002257), wk = 0.0037736 k( 115) = ( 0.0000000 0.0000000 0.4192841), wk = 0.0037736 k( 116) = ( 0.0000000 0.0000000 0.4383424), wk = 0.0037736 k( 117) = ( 0.0000000 0.0000000 0.4574008), wk = 0.0037736 k( 118) = ( 0.0000000 0.0000000 0.4764592), wk = 0.0037736 k( 119) = ( 0.0000000 0.0000000 0.4955175), wk = 0.0037736 k( 120) = ( 0.0000000 0.0000000 0.4955175), wk = 0.0037736 k( 121) = ( 0.0000000 0.0192308 0.4955175), wk = 0.0037736 k( 122) = ( 0.0000000 0.0384615 0.4955175), wk = 0.0037736 k( 123) = ( 0.0000000 0.0576923 0.4955175), wk = 0.0037736 k( 124) = ( 0.0000000 0.0769231 0.4955175), wk = 0.0037736 k( 125) = ( 0.0000000 0.0961538 0.4955175), wk = 0.0037736 k( 126) = ( 0.0000000 0.1153846 0.4955175), wk = 0.0037736 k( 127) = ( 0.0000000 0.1346154 0.4955175), wk = 0.0037736 k( 128) = ( 0.0000000 0.1538461 0.4955175), wk = 0.0037736 k( 129) = ( 0.0000000 0.1730769 0.4955175), wk = 0.0037736 k( 130) = ( 0.0000000 0.1923077 0.4955175), wk = 0.0037736 k( 131) = ( 0.0000000 0.2115385 0.4955175), wk = 0.0037736 k( 132) = ( 0.0000000 0.2307692 0.4955175), wk = 0.0037736 k( 133) = ( 0.0000000 0.2500000 0.4955175), wk = 0.0037736 k( 134) = ( 0.0000000 0.2692308 0.4955175), wk = 0.0037736 k( 135) = ( 0.0000000 0.2884615 0.4955175), wk = 0.0037736 k( 136) = ( 0.0000000 0.3076923 0.4955175), wk = 0.0037736 k( 137) = ( 0.0000000 0.3269231 0.4955175), wk = 0.0037736 k( 138) = ( 0.0000000 0.3461538 0.4955175), wk = 0.0037736 k( 139) = ( 0.0000000 0.3653846 0.4955175), wk = 0.0037736 k( 140) = ( 0.0000000 0.3846154 0.4955175), wk = 0.0037736 k( 141) = ( 0.0000000 0.4038462 0.4955175), wk = 0.0037736 k( 142) = ( 0.0000000 0.4230769 0.4955175), wk = 0.0037736 k( 143) = ( 0.0000000 0.4423077 0.4955175), wk = 0.0037736 k( 144) = ( 0.0000000 0.4615385 0.4955175), wk = 0.0037736 k( 145) = ( 0.0000000 0.4807692 0.4955175), wk = 0.0037736 k( 146) = ( 0.0000000 0.5000000 0.4955175), wk = 0.0037736 k( 147) = ( 0.0000000 0.5000000 0.4955175), wk = 0.0037736 k( 148) = ( 0.0192308 0.5000000 0.4955175), wk = 0.0037736 k( 149) = ( 0.0384615 0.5000000 0.4955175), wk = 0.0037736 k( 150) = ( 0.0576923 0.5000000 0.4955175), wk = 0.0037736 k( 151) = ( 0.0769231 0.5000000 0.4955175), wk = 0.0037736 k( 152) = ( 0.0961538 0.5000000 0.4955175), wk = 0.0037736 k( 153) = ( 0.1153846 0.5000000 0.4955175), wk = 0.0037736 k( 154) = ( 0.1346154 0.5000000 0.4955175), wk = 0.0037736 k( 155) = ( 0.1538461 0.5000000 0.4955175), wk = 0.0037736 k( 156) = ( 0.1730769 0.5000000 0.4955175), wk = 0.0037736 k( 157) = ( 0.1923077 0.5000000 0.4955175), wk = 0.0037736 k( 158) = ( 0.2115385 0.5000000 0.4955175), wk = 0.0037736 k( 159) = ( 0.2307692 0.5000000 0.4955175), wk = 0.0037736 k( 160) = ( 0.2500000 0.5000000 0.4955175), wk = 0.0037736 k( 161) = ( 0.2692308 0.5000000 0.4955175), wk = 0.0037736 k( 162) = ( 0.2884615 0.5000000 0.4955175), wk = 0.0037736 k( 163) = ( 0.3076923 0.5000000 0.4955175), wk = 0.0037736 k( 164) = ( 0.3269231 0.5000000 0.4955175), wk = 0.0037736 k( 165) = ( 0.3461538 0.5000000 0.4955175), wk = 0.0037736 k( 166) = ( 0.3653846 0.5000000 0.4955175), wk = 0.0037736 k( 167) = ( 0.3846154 0.5000000 0.4955175), wk = 0.0037736 k( 168) = ( 0.4038462 0.5000000 0.4955175), wk = 0.0037736 k( 169) = ( 0.4230769 0.5000000 0.4955175), wk = 0.0037736 k( 170) = ( 0.4423077 0.5000000 0.4955175), wk = 0.0037736 k( 171) = ( 0.4615385 0.5000000 0.4955175), wk = 0.0037736 k( 172) = ( 0.4807692 0.5000000 0.4955175), wk = 0.0037736 k( 173) = ( 0.5000000 0.5000000 0.4955175), wk = 0.0037736 k( 174) = ( 0.5000000 0.5000000 0.4955175), wk = 0.0037736 k( 175) = ( 0.4864865 0.4864865 0.4955175), wk = 0.0037736 k( 176) = ( 0.4729730 0.4729730 0.4955175), wk = 0.0037736 k( 177) = ( 0.4594595 0.4594595 0.4955175), wk = 0.0037736 k( 178) = ( 0.4459459 0.4459459 0.4955175), wk = 0.0037736 k( 179) = ( 0.4324324 0.4324324 0.4955175), wk = 0.0037736 k( 180) = ( 0.4189189 0.4189189 0.4955175), wk = 0.0037736 k( 181) = ( 0.4054054 0.4054054 0.4955175), wk = 0.0037736 k( 182) = ( 0.3918919 0.3918919 0.4955175), wk = 0.0037736 k( 183) = ( 0.3783784 0.3783784 0.4955175), wk = 0.0037736 k( 184) = ( 0.3648649 0.3648649 0.4955175), wk = 0.0037736 k( 185) = ( 0.3513514 0.3513513 0.4955175), wk = 0.0037736 k( 186) = ( 0.3378378 0.3378378 0.4955175), wk = 0.0037736 k( 187) = ( 0.3243243 0.3243243 0.4955175), wk = 0.0037736 k( 188) = ( 0.3108108 0.3108108 0.4955175), wk = 0.0037736 k( 189) = ( 0.2972973 0.2972973 0.4955175), wk = 0.0037736 k( 190) = ( 0.2837838 0.2837838 0.4955175), wk = 0.0037736 k( 191) = ( 0.2702703 0.2702703 0.4955175), wk = 0.0037736 k( 192) = ( 0.2567568 0.2567568 0.4955175), wk = 0.0037736 k( 193) = ( 0.2432432 0.2432432 0.4955175), wk = 0.0037736 k( 194) = ( 0.2297297 0.2297297 0.4955175), wk = 0.0037736 k( 195) = ( 0.2162162 0.2162162 0.4955175), wk = 0.0037736 k( 196) = ( 0.2027027 0.2027027 0.4955175), wk = 0.0037736 k( 197) = ( 0.1891892 0.1891892 0.4955175), wk = 0.0037736 k( 198) = ( 0.1756757 0.1756757 0.4955175), wk = 0.0037736 k( 199) = ( 0.1621622 0.1621622 0.4955175), wk = 0.0037736 k( 200) = ( 0.1486486 0.1486486 0.4955175), wk = 0.0037736 k( 201) = ( 0.1351351 0.1351351 0.4955175), wk = 0.0037736 k( 202) = ( 0.1216216 0.1216216 0.4955175), wk = 0.0037736 k( 203) = ( 0.1081081 0.1081081 0.4955175), wk = 0.0037736 k( 204) = ( 0.0945946 0.0945946 0.4955175), wk = 0.0037736 k( 205) = ( 0.0810811 0.0810811 0.4955175), wk = 0.0037736 k( 206) = ( 0.0675676 0.0675676 0.4955175), wk = 0.0037736 k( 207) = ( 0.0540540 0.0540540 0.4955175), wk = 0.0037736 k( 208) = ( 0.0405405 0.0405405 0.4955175), wk = 0.0037736 k( 209) = ( 0.0270270 0.0270270 0.4955175), wk = 0.0037736 k( 210) = ( 0.0135135 0.0135135 0.4955175), wk = 0.0037736 k( 211) = ( 0.0000000 0.0000000 0.4955175), wk = 0.0037736 k( 212) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037736 k( 213) = ( 0.0000000 0.5000000 0.0190584), wk = 0.0037736 k( 214) = ( 0.0000000 0.5000000 0.0381167), wk = 0.0037736 k( 215) = ( 0.0000000 0.5000000 0.0571751), wk = 0.0037736 k( 216) = ( 0.0000000 0.5000000 0.0762335), wk = 0.0037736 k( 217) = ( 0.0000000 0.5000000 0.0952918), wk = 0.0037736 k( 218) = ( 0.0000000 0.5000000 0.1143502), wk = 0.0037736 k( 219) = ( 0.0000000 0.5000000 0.1334086), wk = 0.0037736 k( 220) = ( 0.0000000 0.5000000 0.1524669), wk = 0.0037736 k( 221) = ( 0.0000000 0.5000000 0.1715253), wk = 0.0037736 k( 222) = ( 0.0000000 0.5000000 0.1905837), wk = 0.0037736 k( 223) = ( 0.0000000 0.5000000 0.2096420), wk = 0.0037736 k( 224) = ( 0.0000000 0.5000000 0.2287004), wk = 0.0037736 k( 225) = ( 0.0000000 0.5000000 0.2477588), wk = 0.0037736 k( 226) = ( 0.0000000 0.5000000 0.2668171), wk = 0.0037736 k( 227) = ( 0.0000000 0.5000000 0.2858755), wk = 0.0037736 k( 228) = ( 0.0000000 0.5000000 0.3049339), wk = 0.0037736 k( 229) = ( 0.0000000 0.5000000 0.3239922), wk = 0.0037736 k( 230) = ( 0.0000000 0.5000000 0.3430506), wk = 0.0037736 k( 231) = ( 0.0000000 0.5000000 0.3621090), wk = 0.0037736 k( 232) = ( 0.0000000 0.5000000 0.3811673), wk = 0.0037736 k( 233) = ( 0.0000000 0.5000000 0.4002257), wk = 0.0037736 k( 234) = ( 0.0000000 0.5000000 0.4192841), wk = 0.0037736 k( 235) = ( 0.0000000 0.5000000 0.4383424), wk = 0.0037736 k( 236) = ( 0.0000000 0.5000000 0.4574008), wk = 0.0037736 k( 237) = ( 0.0000000 0.5000000 0.4764592), wk = 0.0037736 k( 238) = ( 0.0000000 0.5000000 0.4955175), wk = 0.0037736 k( 239) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037736 k( 240) = ( 0.5000000 0.5000000 0.0190584), wk = 0.0037736 k( 241) = ( 0.5000000 0.5000000 0.0381167), wk = 0.0037736 k( 242) = ( 0.5000000 0.5000000 0.0571751), wk = 0.0037736 k( 243) = ( 0.5000000 0.5000000 0.0762335), wk = 0.0037736 k( 244) = ( 0.5000000 0.5000000 0.0952918), wk = 0.0037736 k( 245) = ( 0.5000000 0.5000000 0.1143502), wk = 0.0037736 k( 246) = ( 0.5000000 0.5000000 0.1334086), wk = 0.0037736 k( 247) = ( 0.5000000 0.5000000 0.1524669), wk = 0.0037736 k( 248) = ( 0.5000000 0.5000000 0.1715253), wk = 0.0037736 k( 249) = ( 0.5000000 0.5000000 0.1905837), wk = 0.0037736 k( 250) = ( 0.5000000 0.5000000 0.2096420), wk = 0.0037736 k( 251) = ( 0.5000000 0.5000000 0.2287004), wk = 0.0037736 k( 252) = ( 0.5000000 0.5000000 0.2477588), wk = 0.0037736 k( 253) = ( 0.5000000 0.5000000 0.2668171), wk = 0.0037736 k( 254) = ( 0.5000000 0.5000000 0.2858755), wk = 0.0037736 k( 255) = ( 0.5000000 0.5000000 0.3049339), wk = 0.0037736 k( 256) = ( 0.5000000 0.5000000 0.3239922), wk = 0.0037736 k( 257) = ( 0.5000000 0.5000000 0.3430506), wk = 0.0037736 k( 258) = ( 0.5000000 0.5000000 0.3621090), wk = 0.0037736 k( 259) = ( 0.5000000 0.5000000 0.3811673), wk = 0.0037736 k( 260) = ( 0.5000000 0.5000000 0.4002257), wk = 0.0037736 k( 261) = ( 0.5000000 0.5000000 0.4192841), wk = 0.0037736 k( 262) = ( 0.5000000 0.5000000 0.4383424), wk = 0.0037736 k( 263) = ( 0.5000000 0.5000000 0.4574008), wk = 0.0037736 k( 264) = ( 0.5000000 0.5000000 0.4764592), wk = 0.0037736 k( 265) = ( 0.5000000 0.5000000 0.4955175), wk = 0.0037736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0000000 0.0192308 -0.0000000), wk = 0.0037736 k( 3) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0037736 k( 4) = ( 0.0000000 0.0576923 0.0000000), wk = 0.0037736 k( 5) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0037736 k( 6) = ( 0.0000000 0.0961538 -0.0000000), wk = 0.0037736 k( 7) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0037736 k( 8) = ( 0.0000000 0.1346154 -0.0000000), wk = 0.0037736 k( 9) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0037736 k( 10) = ( 0.0000000 0.1730769 -0.0000000), wk = 0.0037736 k( 11) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0037736 k( 12) = ( 0.0000000 0.2115385 0.0000000), wk = 0.0037736 k( 13) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0037736 k( 14) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0037736 k( 15) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0037736 k( 16) = ( 0.0000000 0.2884615 0.0000000), wk = 0.0037736 k( 17) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0037736 k( 18) = ( 0.0000000 0.3269231 0.0000000), wk = 0.0037736 k( 19) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0037736 k( 20) = ( 0.0000000 0.3653846 -0.0000000), wk = 0.0037736 k( 21) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0037736 k( 22) = ( 0.0000000 0.4038462 -0.0000000), wk = 0.0037736 k( 23) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0037736 k( 24) = ( 0.0000000 0.4423077 0.0000000), wk = 0.0037736 k( 25) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0037736 k( 26) = ( 0.0000000 0.4807692 -0.0000000), wk = 0.0037736 k( 27) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037736 k( 28) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037736 k( 29) = ( 0.0192308 0.5000000 0.0000000), wk = 0.0037736 k( 30) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0037736 k( 31) = ( 0.0576923 0.5000000 -0.0000000), wk = 0.0037736 k( 32) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0037736 k( 33) = ( 0.0961538 0.5000000 -0.0000000), wk = 0.0037736 k( 34) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0037736 k( 35) = ( 0.1346154 0.5000000 -0.0000000), wk = 0.0037736 k( 36) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0037736 k( 37) = ( 0.1730769 0.5000000 0.0000000), wk = 0.0037736 k( 38) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0037736 k( 39) = ( 0.2115385 0.5000000 0.0000000), wk = 0.0037736 k( 40) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0037736 k( 41) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0037736 k( 42) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0037736 k( 43) = ( 0.2884615 0.5000000 0.0000000), wk = 0.0037736 k( 44) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0037736 k( 45) = ( 0.3269231 0.5000000 -0.0000000), wk = 0.0037736 k( 46) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0037736 k( 47) = ( 0.3653846 0.5000000 0.0000000), wk = 0.0037736 k( 48) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0037736 k( 49) = ( 0.4038462 0.5000000 -0.0000000), wk = 0.0037736 k( 50) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0037736 k( 51) = ( 0.4423077 0.5000000 -0.0000000), wk = 0.0037736 k( 52) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0037736 k( 53) = ( 0.4807692 0.5000000 0.0000000), wk = 0.0037736 k( 54) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037736 k( 55) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037736 k( 56) = ( 0.4864865 0.4864865 -0.0000000), wk = 0.0037736 k( 57) = ( 0.4729730 0.4729730 0.0000000), wk = 0.0037736 k( 58) = ( 0.4594595 0.4594595 0.0000000), wk = 0.0037736 k( 59) = ( 0.4459459 0.4459459 -0.0000000), wk = 0.0037736 k( 60) = ( 0.4324324 0.4324324 0.0000000), wk = 0.0037736 k( 61) = ( 0.4189189 0.4189189 -0.0000000), wk = 0.0037736 k( 62) = ( 0.4054054 0.4054054 0.0000000), wk = 0.0037736 k( 63) = ( 0.3918919 0.3918919 0.0000000), wk = 0.0037736 k( 64) = ( 0.3783784 0.3783784 0.0000000), wk = 0.0037736 k( 65) = ( 0.3648649 0.3648649 -0.0000000), wk = 0.0037736 k( 66) = ( 0.3513514 0.3513514 0.0000000), wk = 0.0037736 k( 67) = ( 0.3378378 0.3378378 0.0000000), wk = 0.0037736 k( 68) = ( 0.3243243 0.3243243 -0.0000000), wk = 0.0037736 k( 69) = ( 0.3108108 0.3108108 0.0000000), wk = 0.0037736 k( 70) = ( 0.2972973 0.2972973 0.0000000), wk = 0.0037736 k( 71) = ( 0.2837838 0.2837838 -0.0000000), wk = 0.0037736 k( 72) = ( 0.2702703 0.2702703 0.0000000), wk = 0.0037736 k( 73) = ( 0.2567568 0.2567568 0.0000000), wk = 0.0037736 k( 74) = ( 0.2432432 0.2432432 0.0000000), wk = 0.0037736 k( 75) = ( 0.2297297 0.2297297 0.0000000), wk = 0.0037736 k( 76) = ( 0.2162162 0.2162162 0.0000000), wk = 0.0037736 k( 77) = ( 0.2027027 0.2027027 -0.0000000), wk = 0.0037736 k( 78) = ( 0.1891892 0.1891892 0.0000000), wk = 0.0037736 k( 79) = ( 0.1756757 0.1756757 -0.0000000), wk = 0.0037736 k( 80) = ( 0.1621622 0.1621622 -0.0000000), wk = 0.0037736 k( 81) = ( 0.1486486 0.1486486 0.0000000), wk = 0.0037736 k( 82) = ( 0.1351351 0.1351351 0.0000000), wk = 0.0037736 k( 83) = ( 0.1216216 0.1216216 0.0000000), wk = 0.0037736 k( 84) = ( 0.1081081 0.1081081 0.0000000), wk = 0.0037736 k( 85) = ( 0.0945946 0.0945946 -0.0000000), wk = 0.0037736 k( 86) = ( 0.0810811 0.0810811 -0.0000000), wk = 0.0037736 k( 87) = ( 0.0675676 0.0675676 0.0000000), wk = 0.0037736 k( 88) = ( 0.0540540 0.0540540 0.0000000), wk = 0.0037736 k( 89) = ( 0.0405405 0.0405405 -0.0000000), wk = 0.0037736 k( 90) = ( 0.0270270 0.0270270 0.0000000), wk = 0.0037736 k( 91) = ( 0.0135135 0.0135135 -0.0000000), wk = 0.0037736 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 93) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 94) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0037736 k( 95) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0037736 k( 96) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0037736 k( 97) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0037736 k( 98) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0037736 k( 99) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0037736 k( 100) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0037736 k( 101) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0037736 k( 102) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0037736 k( 103) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0037736 k( 104) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0037736 k( 105) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0037736 k( 106) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0037736 k( 107) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0037736 k( 108) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0037736 k( 109) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0037736 k( 110) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0037736 k( 111) = ( 0.0000000 0.0000000 0.3461539), wk = 0.0037736 k( 112) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0037736 k( 113) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0037736 k( 114) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0037736 k( 115) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0037736 k( 116) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0037736 k( 117) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0037736 k( 118) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0037736 k( 119) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037736 k( 120) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037736 k( 121) = ( 0.0000000 0.0192308 0.5000000), wk = 0.0037736 k( 122) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0037736 k( 123) = ( 0.0000000 0.0576923 0.5000000), wk = 0.0037736 k( 124) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0037736 k( 125) = ( 0.0000000 0.0961538 0.5000000), wk = 0.0037736 k( 126) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0037736 k( 127) = ( 0.0000000 0.1346154 0.5000000), wk = 0.0037736 k( 128) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0037736 k( 129) = ( 0.0000000 0.1730769 0.5000000), wk = 0.0037736 k( 130) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0037736 k( 131) = ( 0.0000000 0.2115385 0.5000000), wk = 0.0037736 k( 132) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0037736 k( 133) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0037736 k( 134) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0037736 k( 135) = ( 0.0000000 0.2884615 0.5000000), wk = 0.0037736 k( 136) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0037736 k( 137) = ( 0.0000000 0.3269231 0.5000000), wk = 0.0037736 k( 138) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0037736 k( 139) = ( 0.0000000 0.3653846 0.5000000), wk = 0.0037736 k( 140) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0037736 k( 141) = ( 0.0000000 0.4038462 0.5000000), wk = 0.0037736 k( 142) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0037736 k( 143) = ( 0.0000000 0.4423077 0.5000000), wk = 0.0037736 k( 144) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0037736 k( 145) = ( 0.0000000 0.4807692 0.5000000), wk = 0.0037736 k( 146) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037736 k( 147) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037736 k( 148) = ( 0.0192308 0.5000000 0.5000000), wk = 0.0037736 k( 149) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0037736 k( 150) = ( 0.0576923 0.5000000 0.5000000), wk = 0.0037736 k( 151) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0037736 k( 152) = ( 0.0961538 0.5000000 0.5000000), wk = 0.0037736 k( 153) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0037736 k( 154) = ( 0.1346154 0.5000000 0.5000000), wk = 0.0037736 k( 155) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0037736 k( 156) = ( 0.1730769 0.5000000 0.5000000), wk = 0.0037736 k( 157) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0037736 k( 158) = ( 0.2115385 0.5000000 0.5000000), wk = 0.0037736 k( 159) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0037736 k( 160) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0037736 k( 161) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0037736 k( 162) = ( 0.2884615 0.5000000 0.5000000), wk = 0.0037736 k( 163) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0037736 k( 164) = ( 0.3269231 0.5000000 0.5000000), wk = 0.0037736 k( 165) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0037736 k( 166) = ( 0.3653846 0.5000000 0.5000000), wk = 0.0037736 k( 167) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0037736 k( 168) = ( 0.4038462 0.5000000 0.5000000), wk = 0.0037736 k( 169) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0037736 k( 170) = ( 0.4423077 0.5000000 0.5000000), wk = 0.0037736 k( 171) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0037736 k( 172) = ( 0.4807692 0.5000000 0.5000000), wk = 0.0037736 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 175) = ( 0.4864865 0.4864865 0.5000000), wk = 0.0037736 k( 176) = ( 0.4729730 0.4729730 0.5000000), wk = 0.0037736 k( 177) = ( 0.4594595 0.4594595 0.5000000), wk = 0.0037736 k( 178) = ( 0.4459459 0.4459459 0.5000000), wk = 0.0037736 k( 179) = ( 0.4324324 0.4324324 0.5000000), wk = 0.0037736 k( 180) = ( 0.4189189 0.4189189 0.5000000), wk = 0.0037736 k( 181) = ( 0.4054054 0.4054054 0.5000000), wk = 0.0037736 k( 182) = ( 0.3918919 0.3918919 0.5000000), wk = 0.0037736 k( 183) = ( 0.3783784 0.3783784 0.5000000), wk = 0.0037736 k( 184) = ( 0.3648649 0.3648649 0.5000000), wk = 0.0037736 k( 185) = ( 0.3513514 0.3513514 0.5000000), wk = 0.0037736 k( 186) = ( 0.3378378 0.3378378 0.5000000), wk = 0.0037736 k( 187) = ( 0.3243243 0.3243243 0.5000000), wk = 0.0037736 k( 188) = ( 0.3108108 0.3108108 0.5000000), wk = 0.0037736 k( 189) = ( 0.2972973 0.2972973 0.5000000), wk = 0.0037736 k( 190) = ( 0.2837838 0.2837838 0.5000000), wk = 0.0037736 k( 191) = ( 0.2702703 0.2702703 0.5000000), wk = 0.0037736 k( 192) = ( 0.2567568 0.2567568 0.5000000), wk = 0.0037736 k( 193) = ( 0.2432432 0.2432432 0.5000000), wk = 0.0037736 k( 194) = ( 0.2297297 0.2297297 0.5000000), wk = 0.0037736 k( 195) = ( 0.2162162 0.2162162 0.5000000), wk = 0.0037736 k( 196) = ( 0.2027027 0.2027027 0.5000000), wk = 0.0037736 k( 197) = ( 0.1891892 0.1891892 0.5000000), wk = 0.0037736 k( 198) = ( 0.1756757 0.1756757 0.5000000), wk = 0.0037736 k( 199) = ( 0.1621622 0.1621622 0.5000000), wk = 0.0037736 k( 200) = ( 0.1486486 0.1486486 0.5000000), wk = 0.0037736 k( 201) = ( 0.1351351 0.1351351 0.5000000), wk = 0.0037736 k( 202) = ( 0.1216216 0.1216216 0.5000000), wk = 0.0037736 k( 203) = ( 0.1081081 0.1081081 0.5000000), wk = 0.0037736 k( 204) = ( 0.0945946 0.0945946 0.5000000), wk = 0.0037736 k( 205) = ( 0.0810811 0.0810811 0.5000000), wk = 0.0037736 k( 206) = ( 0.0675676 0.0675676 0.5000000), wk = 0.0037736 k( 207) = ( 0.0540540 0.0540540 0.5000000), wk = 0.0037736 k( 208) = ( 0.0405405 0.0405405 0.5000000), wk = 0.0037736 k( 209) = ( 0.0270270 0.0270270 0.5000000), wk = 0.0037736 k( 210) = ( 0.0135135 0.0135135 0.5000000), wk = 0.0037736 k( 211) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037736 k( 212) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037736 k( 213) = ( 0.0000000 0.5000000 0.0192308), wk = 0.0037736 k( 214) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0037736 k( 215) = ( 0.0000000 0.5000000 0.0576923), wk = 0.0037736 k( 216) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0037736 k( 217) = ( 0.0000000 0.5000000 0.0961538), wk = 0.0037736 k( 218) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0037736 k( 219) = ( 0.0000000 0.5000000 0.1346154), wk = 0.0037736 k( 220) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0037736 k( 221) = ( 0.0000000 0.5000000 0.1730769), wk = 0.0037736 k( 222) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0037736 k( 223) = ( 0.0000000 0.5000000 0.2115385), wk = 0.0037736 k( 224) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0037736 k( 225) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0037736 k( 226) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0037736 k( 227) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0037736 k( 228) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0037736 k( 229) = ( 0.0000000 0.5000000 0.3269231), wk = 0.0037736 k( 230) = ( 0.0000000 0.5000000 0.3461539), wk = 0.0037736 k( 231) = ( 0.0000000 0.5000000 0.3653846), wk = 0.0037736 k( 232) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0037736 k( 233) = ( 0.0000000 0.5000000 0.4038462), wk = 0.0037736 k( 234) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0037736 k( 235) = ( 0.0000000 0.5000000 0.4423077), wk = 0.0037736 k( 236) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0037736 k( 237) = ( 0.0000000 0.5000000 0.4807692), wk = 0.0037736 k( 238) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037736 k( 239) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037736 k( 240) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0037736 k( 241) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0037736 k( 242) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0037736 k( 243) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0037736 k( 244) = ( 0.5000000 0.5000000 0.0961538), wk = 0.0037736 k( 245) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0037736 k( 246) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0037736 k( 247) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0037736 k( 248) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0037736 k( 249) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0037736 k( 250) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0037736 k( 251) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0037736 k( 252) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0037736 k( 253) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0037736 k( 254) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0037736 k( 255) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0037736 k( 256) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0037736 k( 257) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0037736 k( 258) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0037736 k( 259) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0037736 k( 260) = ( 0.5000000 0.5000000 0.4038462), wk = 0.0037736 k( 261) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0037736 k( 262) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0037736 k( 263) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0037736 k( 264) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0037736 k( 265) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 Dense grid: 219199 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 81947 G-vectors FFT dimensions: ( 54, 54, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.52 Mb ( 464, 74) NL pseudopotentials 0.59 Mb ( 232, 166) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.03 Mb ( 4567) G-vector shells 0.02 Mb ( 2129) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.10 Mb ( 464, 296) Each subspace H/S matrix 1.34 Mb ( 296, 296) Each matrix 0.37 Mb ( 166, 2, 74) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Cu2HgI4.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.6 secs Computing kpt #: 2 total cpu time spent up to now is 51.5 secs Computing kpt #: 3 total cpu time spent up to now is 57.2 secs Computing kpt #: 4 total cpu time spent up to now is 62.9 secs Computing kpt #: 5 total cpu time spent up to now is 68.7 secs Computing kpt #: 6 total cpu time spent up to now is 74.3 secs Computing kpt #: 7 total cpu time spent up to now is 80.2 secs Computing kpt #: 8 total cpu time spent up to now is 86.1 secs Computing kpt #: 9 total cpu time spent up to now is 92.1 secs Computing kpt #: 10 total cpu time spent up to now is 98.1 secs Computing kpt #: 11 total cpu time spent up to now is 104.3 secs Computing kpt #: 12 total cpu time spent up to now is 110.6 secs Computing kpt #: 13 total cpu time spent up to now is 116.9 secs Computing kpt #: 14 total cpu time spent up to now is 123.3 secs Computing kpt #: 15 total cpu time spent up to now is 129.9 secs Computing kpt #: 16 total cpu time spent up to now is 136.6 secs Computing kpt #: 17 total cpu time spent up to now is 143.6 secs Computing kpt #: 18 total cpu time spent up to now is 150.7 secs Computing kpt #: 19 total cpu time spent up to now is 157.9 secs Computing kpt #: 20 total cpu time spent up to now is 165.1 secs Computing kpt #: 21 total cpu time spent up to now is 173.0 secs Computing kpt #: 22 total cpu time spent up to now is 181.3 secs Computing kpt #: 23 total cpu time spent up to now is 189.3 secs Computing kpt #: 24 total cpu time spent up to now is 197.5 secs Computing kpt #: 25 total cpu time spent up to now is 204.4 secs Computing kpt #: 26 total cpu time spent up to now is 211.5 secs Computing kpt #: 27 total cpu time spent up to now is 218.2 secs Computing kpt #: 28 total cpu time spent up to now is 224.7 secs Computing kpt #: 29 total cpu time spent up to now is 231.4 secs Computing kpt #: 30 total cpu time spent up to now is 238.5 secs Computing kpt #: 31 total cpu time spent up to now is 245.7 secs Computing kpt #: 32 total cpu time spent up to now is 253.2 secs Computing kpt #: 33 total cpu time spent up to now is 261.1 secs Computing kpt #: 34 total cpu time spent up to now is 269.1 secs Computing kpt #: 35 total cpu time spent up to now is 277.2 secs Computing kpt #: 36 total cpu time spent up to now is 285.3 secs Computing kpt #: 37 total cpu time spent up to now is 295.7 secs Computing kpt #: 38 total cpu time spent up to now is 303.4 secs Computing kpt #: 39 total cpu time spent up to now is 311.2 secs Computing kpt #: 40 total cpu time spent up to now is 319.2 secs Computing kpt #: 41 total cpu time spent up to now is 326.8 secs Computing kpt #: 42 total cpu time spent up to now is 334.6 secs Computing kpt #: 43 total cpu time spent up to now is 341.9 secs Computing kpt #: 44 total cpu time spent up to now is 348.9 secs Computing kpt #: 45 total cpu time spent up to now is 355.7 secs Computing kpt #: 46 total cpu time spent up to now is 362.6 secs Computing kpt #: 47 total cpu time spent up to now is 369.3 secs Computing kpt #: 48 total cpu time spent up to now is 376.0 secs Computing kpt #: 49 total cpu time spent up to now is 382.9 secs Computing kpt #: 50 total cpu time spent up to now is 389.7 secs Computing kpt #: 51 total cpu time spent up to now is 396.4 secs Computing kpt #: 52 total cpu time spent up to now is 403.3 secs Computing kpt #: 53 total cpu time spent up to now is 410.0 secs Computing kpt #: 54 total cpu time spent up to now is 416.6 secs Computing kpt #: 55 total cpu time spent up to now is 423.3 secs Computing kpt #: 56 total cpu time spent up to now is 430.4 secs Computing kpt #: 57 total cpu time spent up to now is 437.6 secs Computing kpt #: 58 total cpu time spent up to now is 444.6 secs Computing kpt #: 59 total cpu time spent up to now is 451.5 secs Computing kpt #: 60 total cpu time spent up to now is 458.1 secs Computing kpt #: 61 total cpu time spent up to now is 464.8 secs Computing kpt #: 62 total cpu time spent up to now is 471.7 secs Computing kpt #: 63 total cpu time spent up to now is 478.7 secs Computing kpt #: 64 total cpu time spent up to now is 485.5 secs Computing kpt #: 65 total cpu time spent up to now is 492.5 secs Computing kpt #: 66 total cpu time spent up to now is 499.4 secs Computing kpt #: 67 total cpu time spent up to now is 506.2 secs Computing kpt #: 68 total cpu time spent up to now is 513.0 secs Computing kpt #: 69 total cpu time spent up to now is 519.9 secs Computing kpt #: 70 total cpu time spent up to now is 526.7 secs Computing kpt #: 71 total cpu time spent up to now is 533.7 secs Computing kpt #: 72 total cpu time spent up to now is 540.6 secs Computing kpt #: 73 total cpu time spent up to now is 547.5 secs Computing kpt #: 74 total cpu time spent up to now is 554.3 secs Computing kpt #: 75 total cpu time spent up to now is 560.9 secs Computing kpt #: 76 total cpu time spent up to now is 567.4 secs Computing kpt #: 77 total cpu time spent up to now is 573.7 secs Computing kpt #: 78 total cpu time spent up to now is 579.9 secs Computing kpt #: 79 total cpu time spent up to now is 586.9 secs Computing kpt #: 80 total cpu time spent up to now is 593.1 secs Computing kpt #: 81 total cpu time spent up to now is 599.2 secs Computing kpt #: 82 total cpu time spent up to now is 605.3 secs Computing kpt #: 83 total cpu time spent up to now is 611.3 secs Computing kpt #: 84 total cpu time spent up to now is 617.2 secs Computing kpt #: 85 total cpu time spent up to now is 623.1 secs Computing kpt #: 86 total cpu time spent up to now is 628.8 secs Computing kpt #: 87 total cpu time spent up to now is 635.0 secs Computing kpt #: 88 total cpu time spent up to now is 640.8 secs Computing kpt #: 89 total cpu time spent up to now is 646.6 secs Computing kpt #: 90 total cpu time spent up to now is 652.5 secs Computing kpt #: 91 total cpu time spent up to now is 658.2 secs Computing kpt #: 92 total cpu time spent up to now is 663.9 secs Computing kpt #: 93 total cpu time spent up to now is 669.6 secs Computing kpt #: 94 total cpu time spent up to now is 675.2 secs Computing kpt #: 95 total cpu time spent up to now is 680.9 secs Computing kpt #: 96 total cpu time spent up to now is 686.7 secs Computing kpt #: 97 total cpu time spent up to now is 693.1 secs Computing kpt #: 98 total cpu time spent up to now is 699.1 secs Computing kpt #: 99 total cpu time spent up to now is 704.8 secs Computing kpt #: 100 total cpu time spent up to now is 710.7 secs Computing kpt #: 101 total cpu time spent up to now is 716.7 secs Computing kpt #: 102 total cpu time spent up to now is 722.7 secs Computing kpt #: 103 total cpu time spent up to now is 728.9 secs Computing kpt #: 104 total cpu time spent up to now is 735.1 secs Computing kpt #: 105 total cpu time spent up to now is 741.4 secs Computing kpt #: 106 total cpu time spent up to now is 748.0 secs Computing kpt #: 107 total cpu time spent up to now is 755.1 secs Computing kpt #: 108 total cpu time spent up to now is 763.0 secs Computing kpt #: 109 total cpu time spent up to now is 770.9 secs Computing kpt #: 110 total cpu time spent up to now is 778.7 secs Computing kpt #: 111 total cpu time spent up to now is 786.6 secs Computing kpt #: 112 total cpu time spent up to now is 793.6 secs Computing kpt #: 113 total cpu time spent up to now is 800.7 secs Computing kpt #: 114 total cpu time spent up to now is 808.3 secs Computing kpt #: 115 total cpu time spent up to now is 815.6 secs Computing kpt #: 116 total cpu time spent up to now is 823.1 secs Computing kpt #: 117 total cpu time spent up to now is 830.6 secs Computing kpt #: 118 total cpu time spent up to now is 838.6 secs Computing kpt #: 119 total cpu time spent up to now is 846.1 secs Computing kpt #: 120 total cpu time spent up to now is 853.7 secs Computing kpt #: 121 total cpu time spent up to now is 861.4 secs Computing kpt #: 122 total cpu time spent up to now is 869.2 secs Computing kpt #: 123 total cpu time spent up to now is 877.1 secs Computing kpt #: 124 total cpu time spent up to now is 885.2 secs Computing kpt #: 125 total cpu time spent up to now is 894.4 secs Computing kpt #: 126 total cpu time spent up to now is 902.3 secs Computing kpt #: 127 total cpu time spent up to now is 910.5 secs Computing kpt #: 128 total cpu time spent up to now is 917.7 secs Computing kpt #: 129 total cpu time spent up to now is 925.5 secs Computing kpt #: 130 total cpu time spent up to now is 932.9 secs Computing kpt #: 131 total cpu time spent up to now is 940.9 secs Computing kpt #: 132 total cpu time spent up to now is 948.2 secs Computing kpt #: 133 total cpu time spent up to now is 956.7 secs Computing kpt #: 134 total cpu time spent up to now is 964.8 secs Computing kpt #: 135 total cpu time spent up to now is 973.4 secs Computing kpt #: 136 total cpu time spent up to now is 981.8 secs Computing kpt #: 137 total cpu time spent up to now is 989.8 secs Computing kpt #: 138 total cpu time spent up to now is 998.3 secs Computing kpt #: 139 total cpu time spent up to now is 1005.9 secs Computing kpt #: 140 total cpu time spent up to now is 1014.2 secs Computing kpt #: 141 total cpu time spent up to now is 1022.3 secs Computing kpt #: 142 total cpu time spent up to now is 1030.7 secs Computing kpt #: 143 total cpu time spent up to now is 1039.0 secs Computing kpt #: 144 total cpu time spent up to now is 1047.6 secs Computing kpt #: 145 total cpu time spent up to now is 1056.0 secs Computing kpt #: 146 total cpu time spent up to now is 1064.4 secs Computing kpt #: 147 total cpu time spent up to now is 1072.9 secs Computing kpt #: 148 total cpu time spent up to now is 1081.7 secs Computing kpt #: 149 total cpu time spent up to now is 1091.0 secs Computing kpt #: 150 total cpu time spent up to now is 1099.4 secs Computing kpt #: 151 total cpu time spent up to now is 1107.6 secs Computing kpt #: 152 total cpu time spent up to now is 1116.0 secs Computing kpt #: 153 total cpu time spent up to now is 1123.9 secs Computing kpt #: 154 total cpu time spent up to now is 1131.7 secs Computing kpt #: 155 total cpu time spent up to now is 1140.1 secs Computing kpt #: 156 total cpu time spent up to now is 1148.1 secs Computing kpt #: 157 total cpu time spent up to now is 1156.0 secs Computing kpt #: 158 total cpu time spent up to now is 1163.7 secs Computing kpt #: 159 total cpu time spent up to now is 1171.5 secs Computing kpt #: 160 total cpu time spent up to now is 1179.3 secs Computing kpt #: 161 total cpu time spent up to now is 1188.2 secs Computing kpt #: 162 total cpu time spent up to now is 1197.3 secs Computing kpt #: 163 total cpu time spent up to now is 1205.0 secs Computing kpt #: 164 total cpu time spent up to now is 1213.3 secs Computing kpt #: 165 total cpu time spent up to now is 1220.8 secs Computing kpt #: 166 total cpu time spent up to now is 1228.4 secs Computing kpt #: 167 total cpu time spent up to now is 1235.9 secs Computing kpt #: 168 total cpu time spent up to now is 1243.0 secs Computing kpt #: 169 total cpu time spent up to now is 1250.1 secs Computing kpt #: 170 total cpu time spent up to now is 1257.3 secs Computing kpt #: 171 total cpu time spent up to now is 1264.6 secs Computing kpt #: 172 total cpu time spent up to now is 1271.7 secs Computing kpt #: 173 total cpu time spent up to now is 1278.5 secs Computing kpt #: 174 total cpu time spent up to now is 1285.6 secs Computing kpt #: 175 total cpu time spent up to now is 1292.7 secs Computing kpt #: 176 total cpu time spent up to now is 1299.8 secs Computing kpt #: 177 total cpu time spent up to now is 1306.6 secs Computing kpt #: 178 total cpu time spent up to now is 1313.5 secs Computing kpt #: 179 total cpu time spent up to now is 1320.7 secs Computing kpt #: 180 total cpu time spent up to now is 1327.7 secs Computing kpt #: 181 total cpu time spent up to now is 1334.8 secs Computing kpt #: 182 total cpu time spent up to now is 1341.9 secs Computing kpt #: 183 total cpu time spent up to now is 1349.2 secs Computing kpt #: 184 total cpu time spent up to now is 1357.1 secs Computing kpt #: 185 total cpu time spent up to now is 1364.9 secs Computing kpt #: 186 total cpu time spent up to now is 1372.5 secs Computing kpt #: 187 total cpu time spent up to now is 1380.7 secs Computing kpt #: 188 total cpu time spent up to now is 1388.7 secs Computing kpt #: 189 total cpu time spent up to now is 1396.9 secs Computing kpt #: 190 total cpu time spent up to now is 1404.2 secs Computing kpt #: 191 total cpu time spent up to now is 1411.7 secs Computing kpt #: 192 total cpu time spent up to now is 1419.7 secs Computing kpt #: 193 total cpu time spent up to now is 1427.9 secs Computing kpt #: 194 total cpu time spent up to now is 1436.2 secs Computing kpt #: 195 total cpu time spent up to now is 1444.6 secs Computing kpt #: 196 total cpu time spent up to now is 1453.5 secs Computing kpt #: 197 total cpu time spent up to now is 1461.8 secs Computing kpt #: 198 total cpu time spent up to now is 1470.0 secs Computing kpt #: 199 total cpu time spent up to now is 1478.0 secs Computing kpt #: 200 total cpu time spent up to now is 1486.8 secs Computing kpt #: 201 total cpu time spent up to now is 1496.5 secs Computing kpt #: 202 total cpu time spent up to now is 1504.5 secs Computing kpt #: 203 total cpu time spent up to now is 1512.4 secs Computing kpt #: 204 total cpu time spent up to now is 1520.5 secs Computing kpt #: 205 total cpu time spent up to now is 1528.3 secs Computing kpt #: 206 total cpu time spent up to now is 1536.4 secs Computing kpt #: 207 total cpu time spent up to now is 1544.4 secs Computing kpt #: 208 total cpu time spent up to now is 1552.2 secs Computing kpt #: 209 total cpu time spent up to now is 1559.9 secs Computing kpt #: 210 total cpu time spent up to now is 1567.7 secs Computing kpt #: 211 total cpu time spent up to now is 1575.1 secs Computing kpt #: 212 total cpu time spent up to now is 1581.8 secs Computing kpt #: 213 total cpu time spent up to now is 1588.6 secs Computing kpt #: 214 total cpu time spent up to now is 1595.6 secs Computing kpt #: 215 total cpu time spent up to now is 1602.6 secs Computing kpt #: 216 total cpu time spent up to now is 1609.6 secs Computing kpt #: 217 total cpu time spent up to now is 1616.7 secs Computing kpt #: 218 total cpu time spent up to now is 1623.8 secs Computing kpt #: 219 total cpu time spent up to now is 1631.1 secs Computing kpt #: 220 total cpu time spent up to now is 1639.3 secs Computing kpt #: 221 total cpu time spent up to now is 1647.1 secs Computing kpt #: 222 total cpu time spent up to now is 1654.9 secs Computing kpt #: 223 total cpu time spent up to now is 1662.8 secs Computing kpt #: 224 total cpu time spent up to now is 1671.1 secs Computing kpt #: 225 total cpu time spent up to now is 1679.6 secs Computing kpt #: 226 total cpu time spent up to now is 1687.9 secs Computing kpt #: 227 total cpu time spent up to now is 1696.4 secs Computing kpt #: 228 total cpu time spent up to now is 1704.8 secs Computing kpt #: 229 total cpu time spent up to now is 1714.0 secs Computing kpt #: 230 total cpu time spent up to now is 1725.5 secs Computing kpt #: 231 total cpu time spent up to now is 1736.4 secs Computing kpt #: 232 total cpu time spent up to now is 1744.7 secs Computing kpt #: 233 total cpu time spent up to now is 1753.2 secs Computing kpt #: 234 total cpu time spent up to now is 1761.7 secs Computing kpt #: 235 total cpu time spent up to now is 1769.9 secs Computing kpt #: 236 total cpu time spent up to now is 1778.5 secs Computing kpt #: 237 total cpu time spent up to now is 1787.5 secs Computing kpt #: 238 total cpu time spent up to now is 1796.1 secs Computing kpt #: 239 total cpu time spent up to now is 1802.8 secs Computing kpt #: 240 total cpu time spent up to now is 1809.8 secs Computing kpt #: 241 total cpu time spent up to now is 1816.5 secs Computing kpt #: 242 total cpu time spent up to now is 1823.2 secs Computing kpt #: 243 total cpu time spent up to now is 1830.0 secs Computing kpt #: 244 total cpu time spent up to now is 1836.7 secs Computing kpt #: 245 total cpu time spent up to now is 1843.4 secs Computing kpt #: 246 total cpu time spent up to now is 1850.3 secs Computing kpt #: 247 total cpu time spent up to now is 1857.2 secs Computing kpt #: 248 total cpu time spent up to now is 1864.3 secs Computing kpt #: 249 total cpu time spent up to now is 1871.8 secs Computing kpt #: 250 total cpu time spent up to now is 1879.4 secs Computing kpt #: 251 total cpu time spent up to now is 1887.0 secs Computing kpt #: 252 total cpu time spent up to now is 1894.9 secs Computing kpt #: 253 total cpu time spent up to now is 1902.7 secs Computing kpt #: 254 total cpu time spent up to now is 1911.1 secs Computing kpt #: 255 total cpu time spent up to now is 1918.7 secs Computing kpt #: 256 total cpu time spent up to now is 1926.3 secs Computing kpt #: 257 total cpu time spent up to now is 1934.3 secs Computing kpt #: 258 total cpu time spent up to now is 1942.0 secs Computing kpt #: 259 total cpu time spent up to now is 1949.3 secs Computing kpt #: 260 total cpu time spent up to now is 1956.3 secs Computing kpt #: 261 total cpu time spent up to now is 1963.8 secs Computing kpt #: 262 total cpu time spent up to now is 1970.7 secs Computing kpt #: 263 total cpu time spent up to now is 1977.6 secs Computing kpt #: 264 total cpu time spent up to now is 1985.4 secs Computing kpt #: 265 total cpu time spent up to now is 1992.6 secs ethr = 1.61E-11, avg # of iterations = 40.6 total cpu time spent up to now is 1992.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10291 PWs) bands (ev): -8.4501 -8.4501 -7.7201 -7.7201 -7.7191 -7.7191 -7.6939 -7.6939 -2.9021 -2.9021 -2.8889 -2.8889 -1.3535 -1.3535 -1.2889 -1.2889 -1.2523 -1.2523 -1.0169 -1.0169 0.0535 0.0535 1.0530 1.0530 1.5068 1.5068 1.5821 1.5821 1.5936 1.5936 2.1170 2.1170 2.1843 2.1843 2.3384 2.3384 2.6437 2.6437 2.9192 2.9192 3.0367 3.0367 3.2912 3.2912 3.3684 3.3684 3.4589 3.4589 3.5759 3.5759 3.6205 3.6205 3.7491 3.7491 3.9414 3.9414 4.8587 4.8587 5.3241 5.3241 5.3644 5.3644 5.7576 5.7576 7.7927 7.7927 8.0920 8.0920 8.3496 8.3496 8.3551 8.3551 8.9113 8.9113 k = 0.0000 0.0192-0.0000 ( 10275 PWs) bands (ev): -8.4495 -8.4494 -7.7207 -7.7206 -7.7193 -7.7192 -7.6940 -7.6937 -2.9027 -2.9016 -2.8899 -2.8880 -1.3583 -1.3499 -1.2896 -1.2879 -1.2532 -1.2514 -1.0164 -1.0139 0.0537 0.0554 1.0494 1.0570 1.5028 1.5092 1.5797 1.5799 1.5923 1.5983 2.1097 2.1217 2.1796 2.1882 2.3354 2.3384 2.6416 2.6446 2.9097 2.9242 3.0339 3.0346 3.2866 3.2995 3.3591 3.3787 3.4538 3.4665 3.5720 3.5810 3.6097 3.6344 3.7479 3.7503 3.9370 3.9470 4.8533 4.8596 5.3148 5.3181 5.3552 5.3666 5.7678 5.7698 7.7933 7.8010 8.0885 8.1000 8.3462 8.3481 8.3596 8.3681 8.9116 8.9178 k = 0.0000 0.0385-0.0000 ( 10281 PWs) bands (ev): -8.4478 -8.4476 -7.7227 -7.7226 -7.7196 -7.7191 -7.6943 -7.6936 -2.9036 -2.9014 -2.8908 -2.8871 -1.3642 -1.3478 -1.2897 -1.2867 -1.2541 -1.2504 -1.0123 -1.0075 0.0559 0.0593 1.0460 1.0612 1.4966 1.5103 1.5739 1.5756 1.5944 1.6035 2.0999 2.1237 2.1743 2.1913 2.3293 2.3357 2.6382 2.6446 2.8955 2.9250 3.0252 3.0295 3.2867 3.3095 3.3506 3.3904 3.4516 3.4762 3.5675 3.5877 3.6039 3.6501 3.7465 3.7514 3.9339 3.9537 4.8437 4.8559 5.2924 5.2964 5.3401 5.3642 5.7984 5.8013 7.8030 7.8182 8.0900 8.1120 8.3476 8.3497 8.3727 8.3904 8.9188 8.9311 k = 0.0000 0.0577-0.0000 ( 10275 PWs) bands (ev): -8.4449 -8.4447 -7.7265 -7.7262 -7.7197 -7.7188 -7.6945 -7.6936 -2.9046 -2.9015 -2.8916 -2.8862 -1.3707 -1.3477 -1.2891 -1.2854 -1.2548 -1.2494 -1.0047 -0.9979 0.0602 0.0652 1.0427 1.0657 1.4877 1.5104 1.5670 1.5705 1.5976 1.6081 2.0876 2.1226 2.1684 2.1935 2.3206 2.3308 2.6334 2.6438 2.8769 2.9219 3.0107 3.0226 3.2916 3.3196 3.3428 3.4042 3.4521 3.4873 3.5615 3.5965 3.6043 3.6672 3.7452 3.7525 3.9321 3.9616 4.8302 4.8475 5.2601 5.2625 5.3214 5.3583 5.8441 5.8470 7.8216 7.8440 8.0965 8.1270 8.3556 8.3566 8.3926 8.4206 8.9326 8.9509 k = 0.0000 0.0769-0.0000 ( 10257 PWs) bands (ev): -8.4408 -8.4406 -7.7317 -7.7313 -7.7197 -7.7184 -7.6948 -7.6935 -2.9057 -2.9020 -2.8921 -2.8854 -1.3777 -1.3494 -1.2875 -1.2842 -1.2553 -1.2483 -0.9941 -0.9854 0.0666 0.0731 1.0396 1.0703 1.4755 1.5097 1.5604 1.5642 1.6011 1.6120 2.0727 2.1179 2.1620 2.1946 2.3097 2.3244 2.6273 2.6425 2.8543 2.9147 2.9915 3.0146 3.3000 3.3285 3.3360 3.4201 3.4552 3.4991 3.5548 3.6074 3.6105 3.6853 3.7439 3.7535 3.9316 3.9705 4.8132 4.8344 5.2214 5.2221 5.2998 5.3488 5.8999 5.9021 7.8488 7.8780 8.1079 8.1440 8.3663 8.3734 8.4200 8.4587 8.9527 8.9768 k = 0.0000 0.0962-0.0000 ( 10257 PWs) bands (ev): -8.4356 -8.4353 -7.7384 -7.7379 -7.7196 -7.7180 -7.6951 -7.6935 -2.9071 -2.9029 -2.8924 -2.8846 -1.3849 -1.3527 -1.2850 -1.2829 -1.2555 -1.2470 -0.9806 -0.9705 0.0750 0.0831 1.0364 1.0752 1.4598 1.5081 1.5546 1.5569 1.6051 1.6153 2.0551 2.1091 2.1551 2.1943 2.2974 2.3173 2.6202 2.6412 2.8286 2.9026 2.9701 3.0061 3.3105 3.3302 3.3358 3.4376 3.4607 3.5104 3.5496 3.6202 3.6209 3.7040 3.7428 3.7545 3.9325 3.9805 4.7929 4.8170 5.1765 5.1817 5.2752 5.3353 5.9626 5.9635 7.8842 7.9195 8.1239 8.1621 8.3826 8.3986 8.4557 8.5044 8.9787 9.0083 k = 0.0000 0.1154-0.0000 ( 10241 PWs) bands (ev): -8.4293 -8.4289 -7.7465 -7.7459 -7.7194 -7.7175 -7.6955 -7.6935 -2.9085 -2.9043 -2.8924 -2.8839 -1.3921 -1.3574 -1.2817 -1.2816 -1.2555 -1.2455 -0.9646 -0.9535 0.0856 0.0950 1.0332 1.0801 1.4408 1.5057 1.5485 1.5495 1.6095 1.6181 2.0347 2.0959 2.1476 2.1923 2.2848 2.3104 2.6120 2.6400 2.8005 2.8842 2.9493 2.9968 3.3216 3.3259 3.3416 3.4562 3.4685 3.5188 3.5491 3.6343 3.6349 3.7233 3.7420 3.7555 3.9348 3.9916 4.7699 4.7956 5.1297 5.1407 5.2475 5.3179 6.0292 6.0297 7.9271 7.9674 8.1443 8.1808 8.4054 8.4325 8.4998 8.5575 9.0100 9.0450 k = 0.0000 0.1346-0.0000 ( 10237 PWs) bands (ev): -8.4218 -8.4214 -7.7560 -7.7553 -7.7192 -7.7170 -7.6958 -7.6936 -2.9101 -2.9060 -2.8922 -2.8832 -1.3992 -1.3630 -1.2802 -1.2779 -1.2552 -1.2437 -0.9465 -0.9347 0.0983 0.1090 1.0297 1.0849 1.4187 1.5024 1.5390 1.5450 1.6144 1.6204 2.0119 2.0782 2.1394 2.1881 2.2730 2.3044 2.6029 2.6391 2.7707 2.8588 2.9309 2.9870 3.3218 3.3335 3.3461 3.4747 3.4781 3.5216 3.5566 3.6494 3.6512 3.7420 3.7430 3.7567 3.9386 4.0037 4.7445 4.7707 5.0822 5.0998 5.2170 5.2968 6.0979 6.0998 7.9768 8.0198 8.1698 8.2004 8.4357 8.4753 8.5522 8.6176 9.0463 9.0864 k = 0.0000 0.1538-0.0000 ( 10241 PWs) bands (ev): -8.4132 -8.4127 -7.7667 -7.7660 -7.7189 -7.7164 -7.6962 -7.6937 -2.9119 -2.9079 -2.8917 -2.8826 -1.4061 -1.3693 -1.2789 -1.2737 -1.2547 -1.2416 -0.9267 -0.9144 0.1131 0.1249 1.0257 1.0895 1.3940 1.4982 1.5287 1.5410 1.6197 1.6219 1.9871 2.0562 2.1306 2.1811 2.2631 2.2998 2.5931 2.6387 2.7399 2.8276 2.9148 2.9765 3.3194 3.3441 3.3496 3.4893 3.4914 3.5224 3.5702 3.6651 3.6690 3.7434 3.7581 3.7629 3.9439 4.0169 4.7173 4.7431 5.0345 5.0595 5.1839 5.2721 6.1687 6.1720 8.0318 8.0730 8.2024 8.2219 8.4744 8.5267 8.6125 8.6846 9.0869 9.1320 k = 0.0000 0.1731-0.0000 ( 10237 PWs) bands (ev): -8.4036 -8.4030 -7.7788 -7.7780 -7.7186 -7.7158 -7.6966 -7.6938 -2.9137 -2.9101 -2.8912 -2.8819 -1.4127 -1.3758 -1.2774 -1.2691 -1.2541 -1.2392 -0.9055 -0.8930 0.1300 0.1428 1.0211 1.0934 1.3672 1.4929 1.5176 1.5372 1.6224 1.6257 1.9611 2.0302 2.1212 2.1714 2.2557 2.2966 2.5823 2.6386 2.7089 2.7926 2.8999 2.9654 3.3178 3.3520 3.3540 3.5017 3.5021 3.5280 3.5870 3.6797 3.6879 3.7474 3.7600 3.7829 3.9508 4.0311 4.6886 4.7134 4.9871 5.0197 5.1485 5.2440 6.2408 6.2453 8.0895 8.1213 8.2470 8.2476 8.5219 8.5865 8.6802 8.7581 9.1314 9.1813 k = 0.0000 0.1923-0.0000 ( 10255 PWs) bands (ev): -8.3929 -8.3923 -7.7920 -7.7911 -7.7182 -7.7151 -7.6970 -7.6940 -2.9157 -2.9123 -2.8906 -2.8813 -1.4189 -1.3824 -1.2760 -1.2644 -1.2533 -1.2366 -0.8832 -0.8707 0.1490 0.1627 1.0157 1.0965 1.3389 1.4862 1.5061 1.5335 1.6217 1.6320 1.9351 2.0012 2.1113 2.1593 2.2506 2.2946 2.5703 2.6388 2.6787 2.7553 2.8854 2.9537 3.3170 3.3537 3.3631 3.5045 3.5148 3.5413 3.6060 3.6913 3.7072 3.7554 3.7630 3.8030 3.9592 4.0463 4.6589 4.6824 4.9399 4.9802 5.1109 5.2130 6.3136 6.3191 8.1451 8.1603 8.2821 8.3071 8.5781 8.6542 8.7550 8.8378 9.1794 9.2338 k = 0.0000 0.2115-0.0000 ( 10269 PWs) bands (ev): -8.3812 -8.3805 -7.8064 -7.8054 -7.7177 -7.7144 -7.6975 -7.6941 -2.9177 -2.9147 -2.8899 -2.8808 -1.4246 -1.3891 -1.2744 -1.2596 -1.2524 -1.2338 -0.8602 -0.8478 0.1701 0.1845 1.0093 1.0980 1.3098 1.4778 1.4944 1.5298 1.6191 1.6388 1.9105 1.9699 2.1013 2.1456 2.2472 2.2936 2.5560 2.6384 2.6507 2.7178 2.8707 2.9416 3.3169 3.3547 3.3714 3.5037 3.5282 3.5572 3.6269 3.6990 3.7253 3.7682 3.7688 3.8231 3.9691 4.0625 4.6286 4.6507 4.8932 4.9408 5.0716 5.1794 6.3866 6.3927 8.1912 8.1923 8.3315 8.3807 8.6429 8.7292 8.8361 8.9233 9.2304 9.2891 k = 0.0000 0.2308-0.0000 ( 10273 PWs) bands (ev): -8.3685 -8.3678 -7.8219 -7.8208 -7.7172 -7.7137 -7.6980 -7.6944 -2.9197 -2.9170 -2.8891 -2.8802 -1.4299 -1.3955 -1.2728 -1.2549 -1.2514 -1.2309 -0.8366 -0.8245 0.1932 0.2082 1.0017 1.0974 1.2808 1.4672 1.4828 1.5260 1.6142 1.6458 1.8891 1.9376 2.0911 2.1311 2.2451 2.2931 2.5382 2.6266 2.6337 2.6842 2.8558 2.9291 3.3173 3.3551 3.3792 3.5023 3.5414 3.5729 3.6496 3.7036 3.7388 3.7804 3.7850 3.8433 3.9806 4.0798 4.5981 4.6189 4.8469 4.9013 5.0307 5.1435 6.4591 6.4656 8.2177 8.2286 8.3976 8.4635 8.7155 8.8110 8.9230 9.0142 9.2840 9.3466 k = 0.0000 0.2500-0.0000 ( 10301 PWs) bands (ev): -8.3549 -8.3541 -7.8383 -7.8372 -7.7167 -7.7129 -7.6985 -7.6946 -2.9218 -2.9194 -2.8884 -2.8797 -1.4346 -1.4018 -1.2712 -1.2515 -1.2490 -1.2279 -0.8127 -0.8012 0.2183 0.2338 0.9927 1.0934 1.2530 1.4534 1.4719 1.5221 1.6071 1.6526 1.8723 1.9056 2.0809 2.1163 2.2436 2.2928 2.5158 2.6081 2.6136 2.6662 2.8406 2.9164 3.3181 3.3551 3.3866 3.5008 3.5542 3.5874 3.6738 3.7065 3.7462 3.7992 3.8045 3.8635 3.9937 4.0981 4.5676 4.5874 4.8010 4.8617 4.9886 5.1055 6.5305 6.5372 8.2421 8.2577 8.4761 8.5526 8.7953 8.8992 9.0152 9.1102 9.3400 9.4060 k = 0.0000 0.2692-0.0000 ( 10275 PWs) bands (ev): -8.3403 -8.3395 -7.8556 -7.8545 -7.7161 -7.7121 -7.6990 -7.6949 -2.9238 -2.9217 -2.8875 -2.8792 -1.4388 -1.4077 -1.2695 -1.2502 -1.2446 -1.2248 -0.7890 -0.7780 0.2452 0.2611 0.9823 1.0847 1.2281 1.4356 1.4623 1.5180 1.5980 1.6584 1.8612 1.8754 2.0708 2.1015 2.2423 2.2923 2.4891 2.5786 2.5953 2.6637 2.8252 2.9034 3.3192 3.3547 3.3936 3.4992 3.5663 3.6003 3.6986 3.7098 3.7499 3.8227 3.8254 3.8839 4.0084 4.1175 4.5376 4.5567 4.7556 4.8219 4.9457 5.0660 6.6004 6.6070 8.2655 8.2833 8.5624 8.6460 8.8817 8.9930 9.1119 9.2104 9.3982 9.4665 k = 0.0000 0.2885-0.0000 ( 10279 PWs) bands (ev): -8.3249 -8.3240 -7.8738 -7.8726 -7.7155 -7.7113 -7.6995 -7.6953 -2.9258 -2.9240 -2.8867 -2.8788 -1.4425 -1.4134 -1.2677 -1.2494 -1.2399 -1.2219 -0.7655 -0.7552 0.2740 0.2902 0.9702 1.0698 1.2074 1.4134 1.4539 1.5138 1.5880 1.6619 1.8492 1.8559 2.0611 2.0871 2.2410 2.2911 2.4599 2.5395 2.5871 2.6663 2.8096 2.8904 3.3206 3.3541 3.4004 3.4976 3.5775 3.6112 3.7094 3.7287 3.7521 3.8472 3.8481 3.9047 4.0247 4.1379 4.5083 4.5269 4.7107 4.7819 4.9022 5.0253 6.6681 6.6744 8.2884 8.3072 8.6537 8.7422 8.9739 9.0919 9.2125 9.3141 9.4584 9.5275 k = 0.0000 0.3077-0.0000 ( 10273 PWs) bands (ev): -8.3086 -8.3077 -7.8926 -7.8914 -7.7149 -7.7105 -7.7000 -7.6956 -2.9277 -2.9262 -2.8858 -2.8784 -1.4457 -1.4187 -1.2659 -1.2487 -1.2353 -1.2190 -0.7427 -0.7331 0.3044 0.3208 0.9565 1.0485 1.1914 1.3870 1.4469 1.5093 1.5781 1.6615 1.8296 1.8559 2.0517 2.0733 2.2393 2.2889 2.4298 2.5000 2.5824 2.6708 2.7938 2.8774 3.3222 3.3533 3.4069 3.4959 3.5878 3.6202 3.7125 3.7535 3.7569 3.8697 3.8740 3.9265 4.0424 4.1591 4.4797 4.4982 4.6664 4.7418 4.8585 4.9836 6.7329 6.7388 8.3109 8.3302 8.7480 8.8399 9.0710 9.1950 9.3161 9.4193 9.5214 9.5881 k = 0.0000 0.3269-0.0000 ( 10281 PWs) bands (ev): -8.2917 -8.2907 -7.9121 -7.9109 -7.7142 -7.7097 -7.7006 -7.6961 -2.9296 -2.9282 -2.8850 -2.8781 -1.4483 -1.4236 -1.2641 -1.2481 -1.2309 -1.2163 -0.7208 -0.7119 0.3364 0.3528 0.9411 1.0218 1.1792 1.3570 1.4414 1.5046 1.5693 1.6553 1.8190 1.8605 2.0429 2.0601 2.2367 2.2846 2.4006 2.4616 2.5804 2.6764 2.7781 2.8644 3.3239 3.3523 3.4133 3.4940 3.5971 3.6272 3.7159 3.7545 3.7861 3.8927 3.8988 3.9500 4.0617 4.1810 4.4523 4.4709 4.6230 4.7017 4.8151 4.9414 6.7943 6.7995 8.3330 8.3523 8.8441 8.9376 9.1722 9.3011 9.4218 9.5211 9.5908 9.6470 k = 0.0000 0.3462-0.0000 ( 10281 PWs) bands (ev): -8.2740 -8.2729 -7.9322 -7.9309 -7.7135 -7.7089 -7.7012 -7.6965 -2.9312 -2.9301 -2.8841 -2.8779 -1.4505 -1.4282 -1.2623 -1.2477 -1.2268 -1.2139 -0.7000 -0.6919 0.3696 0.3861 0.9242 0.9914 1.1693 1.3246 1.4374 1.4995 1.5619 1.6435 1.8180 1.8689 2.0346 2.0476 2.2328 2.2772 2.3742 2.4253 2.5807 2.6826 2.7625 2.8515 3.3257 3.3513 3.4195 3.4919 3.6053 3.6324 3.7198 3.7552 3.8158 3.9163 3.9213 3.9762 4.0823 4.2034 4.4259 4.4450 4.5807 4.6618 4.7725 4.8991 6.8517 6.8562 8.3544 8.3734 8.9405 9.0339 9.2764 9.4087 9.5285 9.6074 9.6766 9.7024 k = 0.0000 0.3654-0.0000 ( 10277 PWs) bands (ev): -8.2557 -8.2546 -7.9526 -7.9514 -7.7128 -7.7081 -7.7017 -7.6970 -2.9328 -2.9318 -2.8833 -2.8777 -1.4522 -1.4324 -1.2606 -1.2474 -1.2229 -1.2116 -0.6807 -0.6735 0.4038 0.4203 0.9056 0.9587 1.1606 1.2913 1.4349 1.4940 1.5560 1.6282 1.8251 1.8802 2.0271 2.0358 2.2265 2.2649 2.3528 2.3925 2.5831 2.6891 2.7473 2.8388 3.3276 3.3501 3.4256 3.4895 3.6124 3.6361 3.7241 3.7557 3.8451 3.9405 3.9407 4.0052 4.1041 4.2257 4.4008 4.4206 4.5401 4.6224 4.7314 4.8568 6.9042 6.9080 8.3748 8.3930 9.0361 9.1272 9.3823 9.5149 9.6344 9.6760 9.7523 9.7778 k = 0.0000 0.3846-0.0000 ( 10269 PWs) bands (ev): -8.2368 -8.2357 -7.9734 -7.9721 -7.7121 -7.7074 -7.7023 -7.6975 -2.9342 -2.9333 -2.8825 -2.8776 -1.4534 -1.4362 -1.2588 -1.2473 -1.2194 -1.2098 -0.6631 -0.6569 0.4389 0.4553 0.8856 0.9249 1.1524 1.2584 1.4338 1.4882 1.5514 1.6117 1.8380 1.8939 2.0203 2.0249 2.2169 2.2470 2.3375 2.3647 2.5873 2.6954 2.7333 2.8263 3.3295 3.3489 3.4316 3.4867 3.6186 3.6386 3.7286 3.7559 3.8734 3.9566 3.9664 4.0364 4.1267 4.2471 4.3768 4.3979 4.5020 4.5837 4.6927 4.8152 6.9514 6.9545 8.3939 8.4109 9.1295 9.2159 9.4880 9.6139 9.7358 9.7361 9.7966 9.8738 k = 0.0000 0.4038-0.0000 ( 10271 PWs) bands (ev): -8.2176 -8.2165 -7.9943 -7.9930 -7.7113 -7.7068 -7.7027 -7.6981 -2.9353 -2.9347 -2.8818 -2.8776 -1.4541 -1.4397 -1.2572 -1.2474 -1.2162 -1.2082 -0.6476 -0.6423 0.4742 0.4903 0.8641 0.8908 1.1447 1.2274 1.4339 1.4819 1.5482 1.5962 1.8548 1.9093 2.0143 2.0145 2.2032 2.2249 2.3276 2.3432 2.5932 2.6985 2.7230 2.8141 3.3314 3.3476 3.4373 3.4836 3.6239 3.6401 3.7331 3.7559 3.8996 3.9695 3.9938 4.0689 4.1497 4.2661 4.3538 4.3770 4.4677 4.5462 4.6577 4.7746 6.9926 6.9950 8.4112 8.4265 9.2193 9.2982 9.5902 9.6906 9.7893 9.8139 9.8579 9.9002 k = 0.0000 0.4231-0.0000 ( 10279 PWs) bands (ev): -8.1981 -8.1970 -8.0152 -8.0139 -7.7106 -7.7064 -7.7029 -7.6987 -2.9363 -2.9358 -2.8810 -2.8777 -1.4545 -1.4429 -1.2556 -1.2476 -1.2135 -1.2070 -0.6343 -0.6301 0.5093 0.5249 0.8413 0.8572 1.1378 1.1994 1.4353 1.4754 1.5462 1.5826 1.8741 1.9257 2.0046 2.0090 2.1861 2.2013 2.3211 2.3283 2.6006 2.6926 2.7226 2.8021 3.3332 3.3462 3.4429 3.4802 3.6283 3.6409 3.7374 3.7555 3.9232 3.9792 4.0229 4.1015 4.1719 4.2806 4.3320 4.3586 4.4389 4.5104 4.6284 4.7355 7.0272 7.0290 8.4264 8.4394 9.3041 9.3723 9.6816 9.7231 9.8269 9.8722 9.8912 9.9459 k = 0.0000 0.4423-0.0000 ( 10282 PWs) bands (ev): -8.1788 -8.1776 -8.0356 -8.0344 -7.7099 -7.7064 -7.7028 -7.6993 -2.9371 -2.9367 -2.8804 -2.8778 -1.4544 -1.4456 -1.2541 -1.2481 -1.2111 -1.2063 -0.6236 -0.6204 0.5432 0.5576 0.8178 0.8251 1.1324 1.1755 1.4377 1.4688 1.5453 1.5713 1.8949 1.9424 1.9946 2.0042 2.1677 2.1786 2.3167 2.3191 2.6093 2.6807 2.7291 2.7904 3.3351 3.3448 3.4484 3.4765 3.6319 3.6411 3.7413 3.7548 3.9435 3.9856 4.0535 4.1321 4.1917 4.2869 4.3127 4.3436 4.4175 4.4774 4.6074 4.6986 7.0548 7.0560 8.4392 8.4494 9.3820 9.4365 9.7206 9.7357 9.8495 9.9169 9.9289 10.0122 k = 0.0000 0.4615-0.0000 ( 10266 PWs) bands (ev): -8.1602 -8.1591 -8.0549 -8.0538 -7.7091 -7.7066 -7.7025 -7.7000 -2.9376 -2.9374 -2.8798 -2.8781 -1.4539 -1.4480 -1.2527 -1.2486 -1.2092 -1.2060 -0.6157 -0.6135 0.5743 0.5863 0.7951 0.7965 1.1294 1.1565 1.4411 1.4623 1.5458 1.5623 1.9160 1.9581 1.9840 1.9992 2.1514 2.1589 2.3137 2.3139 2.6192 2.6675 2.7378 2.7791 3.3369 3.3434 3.4536 3.4725 3.6348 3.6408 3.7447 3.7537 3.9602 3.9884 4.0850 4.1555 4.2076 4.2818 4.3008 4.3323 4.4052 4.4485 4.5973 4.6650 7.0749 7.0756 8.4491 8.4562 9.4505 9.4887 9.7048 9.7286 9.9014 9.9561 9.9681 10.0385 k = 0.0000 0.4808-0.0000 ( 10246 PWs) bands (ev): -8.1443 -8.1436 -8.0710 -8.0702 -7.7084 -7.7071 -7.7019 -7.7006 -2.9379 -2.9378 -2.8792 -2.8784 -1.4530 -1.4500 -1.2515 -1.2494 -1.2077 -1.2061 -0.6106 -0.6095 0.5992 0.6065 0.7754 0.7764 1.1295 1.1425 1.4453 1.4561 1.5475 1.5556 1.9361 1.9669 1.9767 1.9933 2.1406 2.1446 2.3115 2.3118 2.6301 2.6545 2.7473 2.7681 3.3386 3.3419 3.4587 3.4681 3.6371 3.6401 3.7477 3.7522 3.9732 3.9873 4.1158 4.1598 4.2245 4.2668 4.3011 4.3220 4.4024 4.4252 4.5995 4.6358 7.0871 7.0875 8.4559 8.4595 9.5045 9.5244 9.6884 9.7018 9.9511 9.9841 9.9952 10.0437 k = 0.0000 0.5000-0.0000 ( 10234 PWs) bands (ev): -8.1368 -8.1368 -8.0779 -8.0779 -7.7078 -7.7078 -7.7013 -7.7013 -2.9380 -2.9380 -2.8788 -2.8788 -1.4517 -1.4517 -1.2504 -1.2504 -1.2066 -1.2066 -0.6086 -0.6086 0.6117 0.6117 0.7679 0.7679 1.1337 1.1337 1.4504 1.4504 1.5507 1.5507 1.9540 1.9540 1.9854 1.9854 2.1380 2.1380 2.3110 2.3110 2.6420 2.6420 2.7575 2.7575 3.3403 3.3403 3.4636 3.4636 3.6388 3.6388 3.7502 3.7502 3.9823 3.9823 4.1430 4.1430 4.2462 4.2462 4.3106 4.3106 4.4093 4.4093 4.6132 4.6132 7.0913 7.0913 8.4594 8.4594 9.5326 9.5326 9.6842 9.6842 9.9784 9.9784 10.0282 10.0282 k = 0.0000 0.5000-0.0000 ( 10234 PWs) bands (ev): -8.1368 -8.1368 -8.0779 -8.0779 -7.7078 -7.7078 -7.7013 -7.7013 -2.9380 -2.9380 -2.8788 -2.8788 -1.4517 -1.4517 -1.2504 -1.2504 -1.2066 -1.2066 -0.6086 -0.6086 0.6117 0.6117 0.7679 0.7679 1.1337 1.1337 1.4504 1.4504 1.5507 1.5507 1.9540 1.9540 1.9854 1.9854 2.1380 2.1380 2.3110 2.3110 2.6420 2.6420 2.7575 2.7575 3.3403 3.3403 3.4636 3.4636 3.6388 3.6388 3.7502 3.7502 3.9823 3.9823 4.1430 4.1430 4.2462 4.2462 4.3106 4.3106 4.4093 4.4093 4.6132 4.6132 7.0913 7.0913 8.4594 8.4594 9.5326 9.5326 9.6842 9.6842 9.9784 9.9784 10.0282 10.0282 k = 0.0192 0.5000-0.0000 ( 10246 PWs) bands (ev): -8.1364 -8.1364 -8.0777 -8.0774 -7.7082 -7.7080 -7.7017 -7.7015 -2.9386 -2.9372 -2.8797 -2.8780 -1.4563 -1.4471 -1.2538 -1.2472 -1.2106 -1.2026 -0.6130 -0.6028 0.6105 0.6109 0.7664 0.7674 1.1320 1.1362 1.4401 1.4611 1.5448 1.5579 1.9370 1.9607 1.9803 1.9976 2.1138 2.1607 2.2968 2.3265 2.6416 2.6430 2.7521 2.7626 3.3349 3.3483 3.4612 3.4669 3.6396 3.6396 3.7496 3.7503 3.9753 3.9864 4.1394 4.1449 4.2402 4.2545 4.3073 4.3147 4.4093 4.4126 4.6104 4.6137 7.0850 7.0992 8.4512 8.4765 9.5231 9.5343 9.6852 9.6895 9.9460 9.9970 10.0177 10.0447 k = 0.0385 0.5000-0.0000 ( 10244 PWs) bands (ev): -8.1353 -8.1352 -8.0769 -8.0763 -7.7094 -7.7091 -7.7029 -7.7025 -2.9392 -2.9364 -2.8809 -2.8773 -1.4610 -1.4427 -1.2575 -1.2444 -1.2144 -1.1988 -0.6161 -0.5957 0.6073 0.6081 0.7627 0.7647 1.1312 1.1397 1.4302 1.4723 1.5400 1.5664 1.9159 1.9589 1.9779 2.0102 2.0933 2.1798 2.2837 2.3440 2.6422 2.6449 2.7467 2.7676 3.3324 3.3587 3.4597 3.4714 3.6419 3.6419 3.7486 3.7498 3.9664 3.9873 4.1340 4.1449 4.2377 4.2640 4.3057 4.3193 4.4124 4.4189 4.6055 4.6123 7.0802 7.1085 8.4518 8.5022 9.5063 9.5281 9.6927 9.7008 9.9085 9.9769 10.0361 10.0615 k = 0.0577 0.5000-0.0000 ( 10246 PWs) bands (ev): -8.1334 -8.1332 -8.0754 -8.0746 -7.7114 -7.7109 -7.7048 -7.7042 -2.9397 -2.9356 -2.8821 -2.8769 -1.4657 -1.4385 -1.2612 -1.2424 -1.2177 -1.1953 -0.6176 -0.5875 0.6025 0.6033 0.7569 0.7600 1.1310 1.1442 1.4206 1.4839 1.5360 1.5762 1.8946 1.9528 1.9756 2.0081 2.0881 2.1944 2.2711 2.3632 2.6436 2.6473 2.7413 2.7723 3.3328 3.3709 3.4588 3.4769 3.6458 3.6458 3.7475 3.7487 3.9566 3.9850 4.1267 4.1427 4.2394 4.2731 4.3066 4.3243 4.4183 4.4280 4.5983 4.6095 7.0771 7.1190 8.4610 8.5365 9.4828 9.5145 9.7064 9.7170 9.8679 9.9434 10.0577 10.0793 k = 0.0769 0.5000-0.0000 ( 10252 PWs) bands (ev): -8.1308 -8.1305 -8.0733 -8.0722 -7.7141 -7.7134 -7.7074 -7.7066 -2.9400 -2.9347 -2.8836 -2.8767 -1.4704 -1.4345 -1.2649 -1.2415 -1.2200 -1.1921 -0.6176 -0.5782 0.5961 0.5966 0.7493 0.7534 1.1313 1.1497 1.4112 1.4958 1.5323 1.5873 1.8746 1.9436 1.9726 1.9878 2.1009 2.2045 2.2589 2.3836 2.6461 2.6503 2.7360 2.7767 3.3361 3.3843 3.4582 3.4835 3.6512 3.6513 3.7466 3.7472 3.9467 3.9801 4.1177 4.1384 4.2444 4.2805 4.3105 4.3300 4.4268 4.4389 4.5894 4.6057 7.0757 7.1308 8.4787 8.5792 9.4538 9.4942 9.7262 9.7338 9.8285 9.9015 10.0790 10.0984 k = 0.0962 0.5000-0.0000 ( 10252 PWs) bands (ev): -8.1274 -8.1270 -8.0705 -8.0692 -7.7176 -7.7167 -7.7106 -7.7096 -2.9402 -2.9339 -2.8852 -2.8766 -1.4749 -1.4310 -1.2686 -1.2419 -1.2210 -1.1894 -0.6161 -0.5681 0.5883 0.5884 0.7400 0.7451 1.1319 1.1561 1.4016 1.5078 1.5286 1.5995 1.8567 1.9308 1.9607 1.9691 2.1212 2.2104 2.2469 2.4042 2.6496 2.6538 2.7310 2.7807 3.3420 3.3981 3.4577 3.4911 3.6583 3.6586 3.7452 3.7465 3.9375 3.9734 4.1074 4.1322 4.2514 4.2856 4.3169 4.3373 4.4376 4.4506 4.5793 4.6017 7.0760 7.1435 8.5047 8.6299 9.4202 9.4681 9.7314 9.7512 9.8105 9.8526 10.1007 10.1184 k = 0.1154 0.5000-0.0000 ( 10240 PWs) bands (ev): -8.1233 -8.1228 -8.0672 -8.0656 -7.7217 -7.7208 -7.7145 -7.7133 -2.9403 -2.9331 -2.8869 -2.8767 -1.4793 -1.4279 -1.2720 -1.2436 -1.2207 -1.1871 -0.6130 -0.5571 0.5786 0.5797 0.7292 0.7353 1.1327 1.1634 1.3917 1.5194 1.5246 1.6126 1.8416 1.9125 1.9349 1.9651 2.1430 2.2129 2.2355 2.4238 2.6543 2.6577 2.7265 2.7845 3.3502 3.4114 3.4571 3.4994 3.6666 3.6672 3.7433 3.7478 3.9299 3.9658 4.0966 4.1246 4.2587 4.2890 4.3242 4.3468 4.4501 4.4616 4.5693 4.5984 7.0779 7.1570 8.5384 8.6882 9.3830 9.4373 9.6927 9.7754 9.8038 9.8311 10.1232 10.1387 k = 0.1346 0.5000-0.0000 ( 10256 PWs) bands (ev): -8.1184 -8.1179 -8.0632 -8.0614 -7.7267 -7.7257 -7.7191 -7.7176 -2.9402 -2.9323 -2.8887 -2.8769 -1.4835 -1.4254 -1.2751 -1.2461 -1.2195 -1.1854 -0.6084 -0.5455 0.5678 0.5703 0.7171 0.7243 1.1336 1.1714 1.3813 1.5199 1.5303 1.6264 1.8295 1.8873 1.9144 1.9608 2.1638 2.2125 2.2253 2.4412 2.6604 2.6618 2.7226 2.7880 3.3603 3.4232 3.4562 3.5084 3.6757 3.6766 3.7418 3.7518 3.9243 3.9583 4.0858 4.1162 4.2649 4.2911 4.3307 4.3588 4.4640 4.4696 4.5616 4.5965 7.0815 7.1712 8.5793 8.7539 9.3431 9.4028 9.6402 9.7332 9.8215 9.8676 10.1456 10.1586 k = 0.1538 0.5000-0.0000 ( 10246 PWs) bands (ev): -8.1128 -8.1122 -8.0587 -8.0566 -7.7323 -7.7312 -7.7243 -7.7225 -2.9400 -2.9315 -2.8905 -2.8774 -1.4875 -1.4235 -1.2778 -1.2489 -1.2180 -1.1843 -0.6023 -0.5333 0.5560 0.5604 0.7040 0.7121 1.1343 1.1799 1.3700 1.5147 1.5399 1.6409 1.8208 1.8598 1.8961 1.9564 2.1797 2.2099 2.2196 2.4558 2.6662 2.6679 2.7193 2.7912 3.3716 3.4328 3.4548 3.5176 3.6846 3.6857 3.7418 3.7597 3.9214 3.9515 4.0754 4.1075 4.2697 4.2925 4.3353 4.3728 4.4723 4.4789 4.5590 4.5968 7.0866 7.1857 8.6268 8.8264 9.3014 9.3656 9.5830 9.6707 9.8598 9.9107 10.1663 10.1769 k = 0.1731 0.5000-0.0000 ( 10266 PWs) bands (ev): -8.1065 -8.1059 -8.0536 -8.0513 -7.7386 -7.7375 -7.7300 -7.7280 -2.9396 -2.9308 -2.8925 -2.8780 -1.4912 -1.4224 -1.2799 -1.2517 -1.2164 -1.1838 -0.5948 -0.5208 0.5437 0.5501 0.6903 0.6992 1.1348 1.1887 1.3578 1.5091 1.5474 1.6557 1.8154 1.8336 1.8776 1.9521 2.1833 2.2054 2.2254 2.4669 2.6707 2.6767 2.7170 2.7941 3.3836 3.4399 3.4529 3.5262 3.6917 3.6936 3.7448 3.7724 3.9215 3.9464 4.0659 4.0988 4.2731 4.2931 4.3376 4.3874 4.4689 4.4942 4.5629 4.5997 7.0933 7.2005 8.6800 8.9052 9.2588 9.3269 9.5235 9.6053 9.9015 9.9573 10.1822 10.1922 k = 0.1923 0.5000-0.0000 ( 10258 PWs) bands (ev): -8.0996 -8.0989 -8.0479 -8.0454 -7.7456 -7.7445 -7.7363 -7.7340 -2.9390 -2.9302 -2.8945 -2.8787 -1.4946 -1.4222 -1.2815 -1.2544 -1.2147 -1.1837 -0.5861 -0.5080 0.5312 0.5397 0.6761 0.6858 1.1346 1.1974 1.3445 1.5035 1.5522 1.6708 1.8104 1.8129 1.8587 1.9479 2.1768 2.1994 2.2404 2.4743 2.6753 2.6866 2.7156 2.7968 3.3954 3.4445 3.4506 3.5334 3.6956 3.6999 3.7522 3.7898 3.9248 3.9436 4.0578 4.0907 4.2755 4.2931 4.3380 4.4001 4.4633 4.5095 4.5719 4.6052 7.1014 7.2153 8.7379 8.9894 9.2162 9.2878 9.4630 9.5384 9.9446 10.0058 10.1894 10.2030 k = 0.2115 0.5000-0.0000 ( 10252 PWs) bands (ev): -8.0920 -8.0912 -8.0418 -8.0390 -7.7533 -7.7521 -7.7431 -7.7406 -2.9383 -2.9297 -2.8965 -2.8795 -1.4977 -1.4228 -1.2823 -1.2568 -1.2132 -1.1843 -0.5761 -0.4951 0.5185 0.5293 0.6617 0.6721 1.1338 1.2056 1.3303 1.4984 1.5535 1.6857 1.7914 1.8129 1.8396 1.9440 2.1675 2.1923 2.2571 2.4783 2.6801 2.6970 2.7155 2.7991 3.4063 3.4469 3.4480 3.5384 3.6962 3.7046 3.7639 3.8107 3.9313 3.9437 4.0516 4.0833 4.2770 4.2924 4.3373 4.4059 4.4621 4.5243 4.5834 4.6130 7.1108 7.2299 8.7989 9.0764 9.1766 9.2495 9.4021 9.4710 9.9866 10.0541 10.1857 10.2085 k = 0.2308 0.5000-0.0000 ( 10244 PWs) bands (ev): -8.0838 -8.0830 -8.0351 -8.0321 -7.7616 -7.7604 -7.7504 -7.7476 -2.9374 -2.9292 -2.8984 -2.8805 -1.5004 -1.4243 -1.2825 -1.2589 -1.2119 -1.1853 -0.5651 -0.4823 0.5059 0.5191 0.6475 0.6584 1.1321 1.2126 1.3159 1.4943 1.5508 1.7001 1.7771 1.8150 1.8210 1.9402 2.1577 2.1841 2.2733 2.4792 2.6849 2.7062 2.7178 2.8011 3.4158 3.4453 3.4475 3.5409 3.6947 3.7080 3.7789 3.8335 3.9404 3.9470 4.0479 4.0769 4.2779 4.2911 4.3366 4.4027 4.4696 4.5381 4.5957 4.6227 7.1214 7.2441 8.8606 9.1170 9.1892 9.2139 9.3416 9.4040 10.0225 10.0993 10.1742 10.2100 k = 0.2500 0.5000-0.0000 ( 10242 PWs) bands (ev): -8.0750 -8.0741 -8.0279 -8.0248 -7.7705 -7.7693 -7.7581 -7.7551 -2.9365 -2.9288 -2.9004 -2.8817 -1.5027 -1.4266 -1.2820 -1.2606 -1.2108 -1.1867 -0.5532 -0.4697 0.4937 0.5090 0.6336 0.6450 1.1293 1.2171 1.3027 1.4914 1.5443 1.7129 1.7673 1.8043 1.8187 1.9367 2.1480 2.1753 2.2883 2.4776 2.6898 2.7111 2.7250 2.8028 3.4232 3.4426 3.4467 3.5406 3.6920 3.7098 3.7961 3.8563 3.9511 3.9534 4.0477 4.0721 4.2781 4.2896 4.3366 4.3952 4.4823 4.5504 4.6078 4.6335 7.1332 7.2577 8.9187 9.0825 9.1846 9.2823 9.2823 9.3384 10.0392 10.1346 10.1690 10.2144 k = 0.2692 0.5000-0.0000 ( 10264 PWs) bands (ev): -8.0657 -8.0647 -8.0203 -8.0170 -7.7800 -7.7788 -7.7662 -7.7631 -2.9354 -2.9285 -2.9022 -2.8829 -1.5045 -1.4298 -1.2808 -1.2619 -1.2099 -1.1885 -0.5406 -0.4575 0.4819 0.4991 0.6203 0.6321 1.1254 1.2171 1.2928 1.4899 1.5345 1.7209 1.7624 1.7918 1.8234 1.9334 2.1387 2.1660 2.3018 2.4738 2.6947 2.7135 2.7349 2.8041 3.4279 3.4406 3.4450 3.5380 3.6889 3.7100 3.8148 3.8773 3.9621 3.9621 4.0518 4.0691 4.2775 4.2888 4.3380 4.3882 4.4962 4.5610 4.6192 4.6449 7.1459 7.2705 8.9647 9.0442 9.1688 9.2248 9.2734 9.3858 10.0224 10.1487 10.1872 10.2352 k = 0.2885 0.5000-0.0000 ( 10268 PWs) bands (ev): -8.0558 -8.0548 -8.0123 -8.0089 -7.7901 -7.7888 -7.7747 -7.7714 -2.9342 -2.9283 -2.9040 -2.8843 -1.5060 -1.4336 -1.2791 -1.2629 -1.2092 -1.1907 -0.5274 -0.4459 0.4707 0.4895 0.6078 0.6199 1.1203 1.2107 1.2885 1.4900 1.5226 1.7187 1.7651 1.7859 1.8287 1.9302 2.1300 2.1564 2.3139 2.4685 2.6995 2.7155 2.7450 2.8052 3.4294 3.4399 3.4425 3.5333 3.6855 3.7088 3.8345 3.8947 3.9717 3.9719 4.0610 4.0687 4.2765 4.2897 4.3410 4.3843 4.5096 4.5696 4.6294 4.6563 7.1594 7.2823 8.9857 9.0074 9.1670 9.1803 9.2116 9.4919 9.9819 10.1470 10.2222 10.2707 k = 0.3077 0.5000-0.0000 ( 10268 PWs) bands (ev): -8.0455 -8.0444 -8.0040 -8.0004 -7.8006 -7.7993 -7.7836 -7.7800 -2.9329 -2.9282 -2.9056 -2.8857 -1.5069 -1.4379 -1.2770 -1.2635 -1.2088 -1.1931 -0.5138 -0.4350 0.4602 0.4800 0.5964 0.6086 1.1141 1.1984 1.2896 1.4917 1.5094 1.7067 1.7741 1.7861 1.8342 1.9271 2.1219 2.1468 2.3245 2.4620 2.7043 2.7175 2.7544 2.8059 3.4285 3.4397 3.4401 3.5270 3.6823 3.7064 3.8546 3.9077 3.9784 3.9820 4.0710 4.0745 4.2761 4.2936 4.3456 4.3846 4.5216 4.5760 4.6383 4.6670 7.1736 7.2929 8.9730 8.9801 9.1162 9.1526 9.2120 9.5990 9.9328 10.1439 10.2630 10.3105 k = 0.3269 0.5000-0.0000 ( 10268 PWs) bands (ev): -8.0347 -8.0335 -7.9953 -7.9916 -7.8116 -7.8102 -7.7926 -7.7890 -2.9316 -2.9280 -2.9070 -2.8873 -1.5073 -1.4427 -1.2746 -1.2638 -1.2086 -1.1957 -0.5000 -0.4250 0.4504 0.4708 0.5863 0.5984 1.1070 1.1826 1.2943 1.4949 1.4957 1.6908 1.7841 1.7916 1.8397 1.9239 2.1145 2.1373 2.3339 2.4547 2.7089 2.7196 2.7630 2.8063 3.4268 3.4366 3.4400 3.5195 3.6793 3.7031 3.8743 3.9165 3.9817 3.9913 4.0757 4.0902 4.2781 4.3012 4.3518 4.3888 4.5316 4.5800 4.6458 4.6766 7.1883 7.3022 8.9415 8.9606 9.0671 9.0970 9.2548 9.6996 9.8880 10.1474 10.3053 10.3511 k = 0.3462 0.5000-0.0000 ( 10270 PWs) bands (ev): -8.0234 -8.0223 -7.9864 -7.9826 -7.8229 -7.8216 -7.8019 -7.7982 -2.9304 -2.9280 -2.9082 -2.8889 -1.5072 -1.4479 -1.2720 -1.2637 -1.2086 -1.1984 -0.4863 -0.4162 0.4414 0.4617 0.5775 0.5894 1.0993 1.1653 1.3008 1.4820 1.4995 1.6737 1.7919 1.8020 1.8447 1.9205 2.1078 2.1281 2.3420 2.4469 2.7134 2.7218 2.7705 2.8064 3.4251 3.4335 3.4392 3.5112 3.6766 3.6992 3.8932 3.9221 3.9818 3.9993 4.0818 4.1049 4.2847 4.3129 4.3596 4.3962 4.5394 4.5815 4.6518 4.6847 7.2032 7.3100 8.9133 8.9366 9.0219 9.0454 9.2957 9.7531 9.8904 10.1617 10.3475 10.3915 k = 0.3654 0.5000-0.0000 ( 10260 PWs) bands (ev): -8.0118 -8.0106 -7.9773 -7.9735 -7.8347 -7.8333 -7.8113 -7.8075 -2.9292 -2.9279 -2.9091 -2.8906 -1.5066 -1.4532 -1.2693 -1.2634 -1.2089 -1.2011 -0.4728 -0.4086 0.4334 0.4530 0.5701 0.5816 1.0914 1.1478 1.3084 1.4684 1.5052 1.6569 1.7992 1.8138 1.8492 1.9169 2.1019 2.1195 2.3492 2.4389 2.7175 2.7240 2.7770 2.8062 3.4239 3.4305 3.4378 3.5023 3.6744 3.6951 3.9108 3.9257 3.9796 4.0053 4.0884 4.1162 4.2974 4.3284 4.3688 4.4058 4.5446 4.5805 4.6566 4.6911 7.2183 7.3161 8.8887 8.9121 8.9810 8.9981 9.3296 9.7253 9.9751 10.1888 10.3889 10.4315 k = 0.3846 0.5000-0.0000 ( 10264 PWs) bands (ev): -7.9999 -7.9987 -7.9682 -7.9643 -7.8468 -7.8454 -7.8207 -7.8169 -2.9282 -2.9278 -2.9096 -2.8924 -1.5055 -1.4586 -1.2667 -1.2628 -1.2093 -1.2037 -0.4597 -0.4025 0.4264 0.4447 0.5641 0.5749 1.0837 1.1309 1.3168 1.4550 1.5119 1.6408 1.8067 1.8256 1.8528 1.9130 2.0967 2.1116 2.3556 2.4308 2.7213 2.7261 2.7825 2.8058 3.4232 3.4278 3.4361 3.4932 3.6725 3.6910 3.9266 3.9282 3.9759 4.0089 4.0948 4.1234 4.3160 4.3470 4.3791 4.4163 4.5470 4.5767 4.6605 4.6954 7.2331 7.3205 8.8680 8.8888 8.9448 8.9558 9.3554 9.6775 10.0802 10.2280 10.4290 10.4714 k = 0.4038 0.5000-0.0000 ( 10262 PWs) bands (ev): -7.9877 -7.9864 -7.9591 -7.9553 -7.8591 -7.8577 -7.8299 -7.8262 -2.9278 -2.9275 -2.9096 -2.8943 -1.5039 -1.4640 -1.2643 -1.2620 -1.2099 -1.2061 -0.4473 -0.3979 0.4206 0.4369 0.5596 0.5694 1.0768 1.1153 1.3257 1.4418 1.5195 1.6258 1.8144 1.8368 1.8553 1.9088 2.0924 2.1045 2.3615 2.4229 2.7247 2.7281 2.7871 2.8053 3.4230 3.4255 3.4345 3.4840 3.6712 3.6870 3.9304 3.9404 3.9716 4.0102 4.1008 4.1271 4.3389 4.3677 4.3902 4.4267 4.5467 4.5704 4.6638 4.6978 7.2477 7.3230 8.8512 8.8677 8.9136 8.9187 9.3742 9.6288 10.1848 10.2760 10.4681 10.5111 k = 0.4231 0.5000-0.0000 ( 10248 PWs) bands (ev): -7.9752 -7.9739 -7.9502 -7.9466 -7.8716 -7.8703 -7.8387 -7.8352 -2.9277 -2.9270 -2.9092 -2.8962 -1.5017 -1.4693 -1.2622 -1.2611 -1.2106 -1.2082 -0.4357 -0.3951 0.4160 0.4298 0.5564 0.5648 1.0710 1.1013 1.3352 1.4287 1.5277 1.6118 1.8220 1.8473 1.8566 1.9042 2.0890 2.0983 2.3669 2.4152 2.7275 2.7298 2.7909 2.8045 3.4231 3.4236 3.4336 3.4751 3.6704 3.6833 3.9325 3.9518 3.9674 4.0093 4.1063 4.1284 4.3640 4.3891 4.4017 4.4357 4.5436 4.5615 4.6670 4.6982 7.2615 7.3236 8.8384 8.8496 8.8873 8.8874 9.3886 9.5833 10.2809 10.3275 10.5068 10.5506 k = 0.4423 0.5000-0.0000 ( 10234 PWs) bands (ev): -7.9626 -7.9613 -7.9419 -7.9387 -7.8844 -7.8830 -7.8467 -7.8436 -2.9276 -2.9268 -2.9083 -2.8982 -1.4991 -1.4745 -1.2605 -1.2602 -1.2113 -1.2099 -0.4252 -0.3940 0.4129 0.4236 0.5544 0.5610 1.0668 1.0893 1.3452 1.4158 1.5364 1.5989 1.8294 1.8565 1.8570 1.8991 2.0864 2.0933 2.3721 2.4079 2.7298 2.7313 2.7939 2.8036 3.4223 3.4230 3.4341 3.4665 3.6701 3.6799 3.9349 3.9567 3.9680 4.0065 4.1113 4.1283 4.3889 4.4097 4.4132 4.4427 4.5379 4.5506 4.6706 4.6967 7.2746 7.3221 8.8298 8.8353 8.8618 8.8661 9.4012 9.5422 10.3606 10.3759 10.5472 10.5890 k = 0.4615 0.5000-0.0000 ( 10234 PWs) bands (ev): -7.9498 -7.9485 -7.9348 -7.9322 -7.8972 -7.8958 -7.8533 -7.8508 -2.9274 -2.9268 -2.9071 -2.9001 -1.4960 -1.4795 -1.2594 -1.2593 -1.2119 -1.2112 -0.4159 -0.3948 0.4111 0.4185 0.5535 0.5581 1.0646 1.0794 1.3558 1.4031 1.5456 1.5869 1.8363 1.8550 1.8658 1.8936 2.0849 2.0893 2.3774 2.4009 2.7315 2.7323 2.7964 2.8026 3.4214 3.4225 3.4363 3.4586 3.6704 3.6770 3.9378 3.9537 3.9753 4.0022 4.1158 4.1272 4.4114 4.4223 4.4293 4.4471 4.5307 4.5385 4.6748 4.6937 7.2865 7.3187 8.8252 8.8254 8.8426 8.8495 9.4146 9.5063 10.4153 10.4160 10.5896 10.6228 k = 0.4808 0.5000-0.0000 ( 10238 PWs) bands (ev): -7.9372 -7.9360 -7.9294 -7.9278 -7.9098 -7.9084 -7.8576 -7.8562 -2.9273 -2.9269 -2.9055 -2.9020 -1.4924 -1.4841 -1.2588 -1.2587 -1.2123 -1.2120 -0.4081 -0.3975 0.4108 0.4146 0.5535 0.5558 1.0646 1.0720 1.3670 1.3907 1.5552 1.5757 1.8426 1.8521 1.8738 1.8876 2.0843 2.0865 2.3828 2.3945 2.7326 2.7329 2.7984 2.8014 3.4211 3.4218 3.4401 3.4514 3.6712 3.6745 3.9411 3.9493 3.9832 3.9968 4.1196 4.1253 4.4276 4.4299 4.4434 4.4496 4.5239 4.5275 4.6795 4.6894 7.2970 7.3133 8.8206 8.8241 8.8302 8.8374 9.4306 9.4759 10.4416 10.4451 10.6270 10.6451 k = 0.5000 0.5000-0.0000 ( 10240 PWs) bands (ev): -7.9282 -7.9282 -7.9258 -7.9258 -7.9186 -7.9186 -7.8587 -7.8587 -2.9271 -2.9271 -2.9038 -2.9038 -1.4885 -1.4885 -1.2585 -1.2585 -1.2123 -1.2123 -0.4020 -0.4020 0.4120 0.4120 0.5543 0.5543 1.0671 1.0671 1.3786 1.3786 1.5652 1.5652 1.8479 1.8479 1.8811 1.8811 2.0849 2.0849 2.3884 2.3884 2.7330 2.7330 2.8000 2.8000 3.4213 3.4213 3.4452 3.4452 3.6726 3.6726 3.9450 3.9450 3.9904 3.9904 4.1228 4.1228 4.4332 4.4332 4.4499 4.4499 4.5218 4.5218 4.6846 4.6846 7.3060 7.3060 8.8212 8.8212 8.8298 8.8298 9.4508 9.4508 10.4523 10.4523 10.6476 10.6476 k = 0.5000 0.5000-0.0000 ( 10240 PWs) bands (ev): -7.9282 -7.9282 -7.9258 -7.9258 -7.9186 -7.9186 -7.8587 -7.8587 -2.9271 -2.9271 -2.9038 -2.9038 -1.4885 -1.4885 -1.2585 -1.2585 -1.2123 -1.2123 -0.4020 -0.4020 0.4120 0.4120 0.5543 0.5543 1.0671 1.0671 1.3786 1.3786 1.5652 1.5652 1.8479 1.8479 1.8811 1.8811 2.0849 2.0849 2.3884 2.3884 2.7330 2.7330 2.8000 2.8000 3.4213 3.4213 3.4452 3.4452 3.6726 3.6726 3.9450 3.9450 3.9904 3.9904 4.1228 4.1228 4.4332 4.4332 4.4499 4.4499 4.5218 4.5218 4.6846 4.6846 7.3060 7.3060 8.8212 8.8212 8.8298 8.8298 9.4508 9.4508 10.4523 10.4523 10.6476 10.6476 k = 0.4865 0.4865-0.0000 ( 10243 PWs) bands (ev): -7.9379 -7.9378 -7.9267 -7.9263 -7.9110 -7.9091 -7.8576 -7.8562 -2.9273 -2.9269 -2.9055 -2.9020 -1.4924 -1.4842 -1.2588 -1.2587 -1.2122 -1.2121 -0.4081 -0.3975 0.4108 0.4145 0.5535 0.5558 1.0646 1.0719 1.3670 1.3906 1.5553 1.5756 1.8426 1.8520 1.8740 1.8875 2.0843 2.0865 2.3828 2.3944 2.7326 2.7329 2.7984 2.8014 3.4211 3.4218 3.4401 3.4514 3.6712 3.6745 3.9411 3.9492 3.9832 3.9967 4.1197 4.1253 4.4282 4.4294 4.4433 4.4500 4.5233 4.5277 4.6794 4.6897 7.2971 7.3132 8.8199 8.8233 8.8281 8.8409 9.4308 9.4756 10.4416 10.4455 10.6271 10.6449 k = 0.4730 0.4730-0.0000 ( 10243 PWs) bands (ev): -7.9533 -7.9533 -7.9256 -7.9254 -7.9021 -7.8994 -7.8530 -7.8503 -2.9275 -2.9267 -2.9071 -2.9001 -1.4959 -1.4795 -1.2595 -1.2592 -1.2117 -1.2114 -0.4158 -0.3949 0.4110 0.4183 0.5535 0.5581 1.0648 1.0792 1.3560 1.4029 1.5459 1.5865 1.8365 1.8541 1.8670 1.8932 2.0848 2.0893 2.3775 2.4008 2.7317 2.7321 2.7964 2.8027 3.4216 3.4225 3.4359 3.4587 3.6704 3.6769 3.9377 3.9536 3.9754 4.0022 4.1161 4.1271 4.4134 4.4196 4.4299 4.4494 4.5266 4.5387 4.6743 4.6963 7.2865 7.3184 8.8126 8.8190 8.8422 8.8683 9.4154 9.5053 10.4149 10.4194 10.5878 10.6203 k = 0.4595 0.4595-0.0000 ( 10255 PWs) bands (ev): -7.9702 -7.9700 -7.9239 -7.9236 -7.8954 -7.8921 -7.8452 -7.8416 -2.9278 -2.9265 -2.9084 -2.8981 -1.4990 -1.4746 -1.2605 -1.2603 -1.2108 -1.2104 -0.4250 -0.3942 0.4125 0.4227 0.5548 0.5612 1.0676 1.0888 1.3458 1.4154 1.5372 1.5979 1.8299 1.8510 1.8635 1.8981 2.0861 2.0933 2.3724 2.4076 2.7303 2.7306 2.7939 2.8041 3.4227 3.4233 3.4326 3.4670 3.6703 3.6796 3.9345 3.9565 3.9685 4.0063 4.1127 4.1280 4.3936 4.4019 4.4170 4.4485 4.5253 4.5475 4.6716 4.7061 7.2744 7.3214 8.7997 8.8097 8.8714 8.9104 9.4038 9.5395 10.3729 10.3735 10.5377 10.5791 k = 0.4459 0.4459-0.0000 ( 10257 PWs) bands (ev): -7.9881 -7.9878 -7.9215 -7.9212 -7.8901 -7.8866 -7.8353 -7.8313 -2.9281 -2.9263 -2.9096 -2.8961 -1.5017 -1.4694 -1.2618 -1.2616 -1.2096 -1.2093 -0.4354 -0.3955 0.4149 0.4274 0.5575 0.5654 1.0731 1.1006 1.3364 1.4280 1.5293 1.6097 1.8228 1.8425 1.8636 1.9022 2.0882 2.0985 2.3676 2.4148 2.7276 2.7291 2.7910 2.8057 3.4241 3.4244 3.4302 3.4761 3.6708 3.6825 3.9315 3.9511 3.9686 4.0087 4.1100 4.1283 4.3720 4.3792 4.4054 4.4468 4.5172 4.5478 4.6752 4.7203 7.2606 7.3215 8.7826 8.7963 8.9138 8.9659 9.3947 9.5776 10.3096 10.3158 10.4855 10.5267 k = 0.4324 0.4324-0.0000 ( 10247 PWs) bands (ev): -8.0065 -8.0062 -7.9184 -7.9181 -7.8855 -7.8819 -7.8244 -7.8201 -2.9284 -2.9260 -2.9105 -2.8942 -1.5038 -1.4641 -1.2633 -1.2632 -1.2082 -1.2080 -0.4470 -0.3988 0.4177 0.4314 0.5624 0.5710 1.0812 1.1145 1.3281 1.4404 1.5223 1.6218 1.8156 1.8319 1.8642 1.9057 2.0909 2.1048 2.3628 2.4223 2.7239 2.7274 2.7878 2.8077 3.4248 3.4248 3.4306 3.4857 3.6719 3.6856 3.9282 3.9397 3.9730 4.0083 4.1091 4.1280 4.3496 4.3544 4.3943 4.4442 4.5028 4.5367 4.6871 4.7386 7.2449 7.3184 8.7622 8.7793 8.9676 9.0335 9.3869 9.6182 10.2314 10.2454 10.4367 10.4664 k = 0.4189 0.4189-0.0000 ( 10257 PWs) bands (ev): -8.0255 -8.0252 -7.9147 -7.9143 -7.8812 -7.8775 -7.8133 -7.8088 -2.9288 -2.9257 -2.9112 -2.8922 -1.5055 -1.4586 -1.2653 -1.2647 -1.2067 -1.2066 -0.4596 -0.4042 0.4202 0.4341 0.5697 0.5786 1.0919 1.1304 1.3212 1.4527 1.5165 1.6343 1.8085 1.8204 1.8645 1.9087 2.0942 2.1121 2.3581 2.4302 2.7193 2.7252 2.7844 2.8100 3.4230 3.4254 3.4343 3.4954 3.6737 3.6886 3.9244 3.9259 3.9775 4.0044 4.1106 4.1273 4.3269 4.3287 4.3844 4.4399 4.4854 4.5159 4.7057 4.7600 7.2271 7.3116 8.7388 8.7592 9.0308 9.1116 9.3786 9.6596 10.1439 10.1655 10.3937 10.3999 k = 0.4054 0.4054-0.0000 ( 10263 PWs) bands (ev): -8.0449 -8.0446 -7.9103 -7.9099 -7.8769 -7.8730 -7.8023 -7.7977 -2.9293 -2.9254 -2.9117 -2.8903 -1.5066 -1.4530 -1.2674 -1.2664 -1.2053 -1.2051 -0.4733 -0.4117 0.4217 0.4350 0.5800 0.5887 1.1048 1.1482 1.3161 1.4646 1.5120 1.6470 1.8015 1.8082 1.8647 1.9114 2.0977 2.1203 2.3533 2.4383 2.7139 2.7225 2.7813 2.8128 3.4208 3.4259 3.4397 3.5049 3.6760 3.6916 3.9101 3.9197 3.9807 3.9967 4.1149 4.1267 4.3023 4.3038 4.3770 4.4299 4.4718 4.4884 4.7281 4.7834 7.2070 7.3006 8.7130 8.7364 9.1004 9.1982 9.3685 9.6986 10.0521 10.0802 10.3289 10.3570 k = 0.3919 0.3919-0.0000 ( 10261 PWs) bands (ev): -8.0645 -8.0644 -7.9053 -7.9049 -7.8723 -7.8684 -7.7917 -7.7870 -2.9297 -2.9250 -2.9120 -2.8885 -1.5073 -1.4474 -1.2697 -1.2680 -1.2041 -1.2036 -0.4878 -0.4212 0.4217 0.4336 0.5931 0.6016 1.1195 1.1676 1.3132 1.4759 1.5095 1.6596 1.7949 1.7954 1.8651 1.9140 2.1016 2.1292 2.3485 2.4466 2.7079 2.7189 2.7787 2.8160 3.4183 3.4262 3.4461 3.5138 3.6790 3.6942 3.8926 3.9137 3.9814 3.9853 4.1216 4.1270 4.2754 4.2799 4.3733 4.4105 4.4567 4.4688 4.7527 4.8080 7.1843 7.2852 8.6853 8.7114 9.1708 9.2905 9.3572 9.7282 9.9629 9.9931 10.2558 10.3267 k = 0.3784 0.3784-0.0000 ( 10263 PWs) bands (ev): -8.0844 -8.0843 -7.8998 -7.8993 -7.8674 -7.8634 -7.7816 -7.7769 -2.9300 -2.9245 -2.9121 -2.8868 -1.5074 -1.4419 -1.2720 -1.2697 -1.2029 -1.2023 -0.5031 -0.4328 0.4196 0.4300 0.6089 0.6177 1.1351 1.1882 1.3134 1.4861 1.5093 1.6721 1.7824 1.7887 1.8660 1.9167 2.1055 2.1387 2.3438 2.4552 2.7014 2.7144 2.7770 2.8195 3.4157 3.4264 3.4533 3.5219 3.6824 3.6965 3.8736 3.9058 3.9708 3.9783 4.1292 4.1303 4.2481 4.2549 4.3745 4.3860 4.4227 4.4742 4.7783 4.8333 7.1588 7.2649 8.6560 8.6845 9.2271 9.3539 9.3847 9.7323 9.8905 9.9071 10.1848 10.3027 k = 0.3649 0.3649-0.0000 ( 10265 PWs) bands (ev): -8.1044 -8.1044 -7.8937 -7.8932 -7.8622 -7.8581 -7.7721 -7.7674 -2.9303 -2.9239 -2.9121 -2.8853 -1.5070 -1.4363 -1.2744 -1.2713 -1.2020 -1.2011 -0.5193 -0.4463 0.4154 0.4243 0.6272 0.6370 1.1503 1.2097 1.3176 1.4947 1.5125 1.6838 1.7693 1.7832 1.8679 1.9198 2.1094 2.1486 2.3392 2.4639 2.6948 2.7088 2.7765 2.8234 3.4128 3.4263 3.4611 3.5289 3.6862 3.6985 3.8532 3.8959 3.9538 3.9707 4.1340 4.1403 4.2205 4.2281 4.3609 4.3797 4.3894 4.4855 4.8043 4.8589 7.1304 7.2399 8.6256 8.6562 9.2382 9.3833 9.4720 9.6923 9.8256 9.8504 10.1237 10.2836 k = 0.3514 0.3514-0.0000 ( 10257 PWs) bands (ev): -8.1245 -8.1245 -7.8872 -7.8866 -7.8567 -7.8525 -7.7633 -7.7586 -2.9304 -2.9233 -2.9119 -2.8838 -1.5060 -1.4309 -1.2768 -1.2729 -1.2013 -1.2003 -0.5363 -0.4618 0.4090 0.4166 0.6474 0.6596 1.1639 1.2316 1.3270 1.5015 1.5193 1.6944 1.7565 1.7783 1.8714 1.9236 2.1133 2.1586 2.3350 2.4728 2.6882 2.7025 2.7773 2.8276 3.4097 3.4260 3.4692 3.5346 3.6903 3.6999 3.8318 3.8837 3.9348 3.9583 4.1418 4.1509 4.1929 4.1996 4.3370 4.3511 4.3959 4.5018 4.8305 4.8845 7.0991 7.2100 8.5944 8.6268 9.2089 9.4309 9.5164 9.6567 9.7544 9.8151 10.0825 10.2671 k = 0.3378 0.3378-0.0000 ( 10257 PWs) bands (ev): -8.1446 -8.1445 -7.8801 -7.8795 -7.8508 -7.8466 -7.7552 -7.7504 -2.9305 -2.9226 -2.9116 -2.8825 -1.5046 -1.4257 -1.2791 -1.2744 -1.2009 -1.1998 -0.5541 -0.4792 0.4004 0.4071 0.6694 0.6853 1.1743 1.2533 1.3424 1.5077 1.5289 1.7030 1.7445 1.7743 1.8771 1.9284 2.1170 2.1685 2.3315 2.4817 2.6818 2.6956 2.7793 2.8322 3.4062 3.4254 3.4775 3.5390 3.6947 3.7008 3.8097 3.8694 3.9143 3.9416 4.1522 4.1558 4.1700 4.1717 4.3151 4.3166 4.4151 4.5225 4.8567 4.9100 7.0647 7.1754 8.5624 8.5965 9.1619 9.4575 9.4635 9.6981 9.7067 9.7583 10.0621 10.2490 k = 0.3243 0.3243-0.0000 ( 10261 PWs) bands (ev): -8.1646 -8.1644 -7.8727 -7.8721 -7.8447 -7.8404 -7.7477 -7.7429 -2.9303 -2.9218 -2.9113 -2.8814 -1.5027 -1.4206 -1.2814 -1.2758 -1.2007 -1.1996 -0.5727 -0.4983 0.3898 0.3960 0.6927 0.7139 1.1813 1.2740 1.3639 1.5142 1.5406 1.7082 1.7344 1.7713 1.8855 1.9343 2.1204 2.1779 2.3294 2.4908 2.6758 2.6887 2.7825 2.8370 3.4024 3.4244 3.4856 3.5419 3.6990 3.7010 3.7874 3.8531 3.8927 3.9214 4.1318 4.1370 4.1677 4.1804 4.2835 4.2950 4.4398 4.5471 4.8827 4.9352 7.0273 7.1362 8.5301 8.5655 9.1052 9.3757 9.4383 9.6812 9.6961 9.7577 10.0498 10.2248 k = 0.3108 0.3108-0.0000 ( 10247 PWs) bands (ev): -8.1844 -8.1841 -7.8649 -7.8642 -7.8383 -7.8339 -7.7409 -7.7360 -2.9301 -2.9210 -2.9108 -2.8803 -1.5002 -1.4156 -1.2836 -1.2771 -1.2009 -1.1998 -0.5921 -0.5191 0.3774 0.3833 0.7172 0.7451 1.1851 1.2934 1.3903 1.5207 1.5547 1.7073 1.7290 1.7696 1.8971 1.9417 2.1235 2.1863 2.3292 2.4998 2.6704 2.6823 2.7867 2.8422 3.3982 3.4231 3.4935 3.5434 3.7002 3.7032 3.7655 3.8354 3.8702 3.8986 4.1028 4.1057 4.1839 4.1943 4.2535 4.2764 4.4691 4.5752 4.9084 4.9602 6.9870 7.0928 8.4974 8.5342 9.0422 9.2826 9.3827 9.5949 9.7075 9.8012 10.0325 10.1902 k = 0.2973 0.2973-0.0000 ( 10253 PWs) bands (ev): -8.2039 -8.2035 -7.8568 -7.8561 -7.8317 -7.8272 -7.7347 -7.7299 -2.9296 -2.9201 -2.9103 -2.8795 -1.4973 -1.4109 -1.2857 -1.2783 -1.2014 -1.2005 -0.6123 -0.5414 0.3634 0.3693 0.7425 0.7788 1.1864 1.3110 1.4202 1.5265 1.5714 1.7007 1.7282 1.7695 1.9118 1.9505 2.1263 2.1932 2.3317 2.5088 2.6656 2.6769 2.7918 2.8477 3.3935 3.4213 3.5007 3.5436 3.6976 3.7069 3.7452 3.8167 3.8473 3.8739 4.0734 4.0743 4.2006 4.2027 4.2354 4.2589 4.5021 4.6060 4.9339 4.9848 6.9438 7.0453 8.4645 8.5025 8.9753 9.1896 9.3119 9.5035 9.7168 9.8226 10.0030 10.1422 k = 0.2838 0.2838-0.0000 ( 10259 PWs) bands (ev): -8.2231 -8.2226 -7.8484 -7.8477 -7.8248 -7.8204 -7.7291 -7.7243 -2.9290 -2.9191 -2.9097 -2.8788 -1.4938 -1.4064 -1.2876 -1.2794 -1.2022 -1.2015 -0.6334 -0.5650 0.3479 0.3541 0.7684 0.8147 1.1859 1.3268 1.4518 1.5312 1.5902 1.6927 1.7287 1.7717 1.9295 1.9610 2.1288 2.1984 2.3375 2.5176 2.6617 2.6731 2.7977 2.8536 3.3885 3.4190 3.5070 3.5426 3.6912 3.7097 3.7289 3.7978 3.8239 3.8481 4.0438 4.0442 4.1821 4.2233 4.2425 4.2463 4.5379 4.6390 4.9591 5.0091 6.8978 6.9943 8.4315 8.4707 8.9064 9.0985 9.2359 9.4103 9.7139 9.8207 9.9583 10.0795 k = 0.2703 0.2703-0.0000 ( 10279 PWs) bands (ev): -8.2418 -8.2414 -7.8398 -7.8391 -7.8179 -7.8134 -7.7241 -7.7194 -2.9282 -2.9180 -2.9091 -2.8783 -1.4899 -1.4020 -1.2894 -1.2804 -1.2034 -1.2030 -0.6551 -0.5899 0.3311 0.3378 0.7945 0.8525 1.1842 1.3410 1.4833 1.5349 1.6093 1.6855 1.7294 1.7774 1.9498 1.9730 2.1311 2.2016 2.3469 2.5261 2.6586 2.6713 2.8044 2.8598 3.3831 3.4162 3.5121 3.5405 3.6786 3.7108 3.7193 3.7798 3.8005 3.8217 4.0145 4.0155 4.1562 4.2238 4.2488 4.2689 4.5756 4.6735 4.9839 5.0331 6.8494 6.9399 8.3984 8.4388 8.8368 9.0103 9.1585 9.3169 9.6968 9.7979 9.8984 10.0025 k = 0.2568 0.2568-0.0000 ( 10277 PWs) bands (ev): -8.2601 -8.2596 -7.8311 -7.8304 -7.8108 -7.8063 -7.7197 -7.7150 -2.9273 -2.9169 -2.9084 -2.8779 -1.4855 -1.3979 -1.2910 -1.2813 -1.2050 -1.2049 -0.6775 -0.6158 0.3133 0.3205 0.8207 0.8917 1.1817 1.3540 1.5123 1.5377 1.6267 1.6801 1.7311 1.7880 1.9724 1.9865 2.1335 2.2033 2.3600 2.5340 2.6564 2.6722 2.8117 2.8663 3.3773 3.4129 3.5155 3.5375 3.6615 3.7087 3.7151 3.7641 3.7775 3.7953 3.9867 3.9877 4.1302 4.2075 4.2743 4.2959 4.6145 4.7090 5.0086 5.0568 6.7985 6.8826 8.3653 8.4069 8.7676 8.9255 9.0816 9.2247 9.6670 9.7567 9.8263 9.9128 k = 0.2432 0.2432-0.0000 ( 10269 PWs) bands (ev): -8.2779 -8.2774 -7.8223 -7.8216 -7.8036 -7.7992 -7.7157 -7.7112 -2.9262 -2.9158 -2.9077 -2.8776 -1.4806 -1.3939 -1.2924 -1.2820 -1.2072 -1.2069 -0.7005 -0.6425 0.2946 0.3025 0.8464 0.9321 1.1788 1.3663 1.5364 1.5397 1.6402 1.6765 1.7360 1.8046 1.9967 2.0013 2.1360 2.2039 2.3763 2.5413 2.6553 2.6760 2.8198 2.8733 3.3712 3.4089 3.5171 3.5338 3.6432 3.7013 3.7133 3.7498 3.7581 3.7694 3.9604 3.9610 4.1050 4.1907 4.3026 4.3262 4.6541 4.7450 5.0330 5.0803 6.7454 6.8226 8.3322 8.3750 8.6998 8.8445 9.0062 9.1346 9.6270 9.6949 9.7505 9.8124 k = 0.2297 0.2297-0.0000 ( 10265 PWs) bands (ev): -8.2951 -8.2945 -7.8135 -7.8128 -7.7965 -7.7922 -7.7123 -7.7079 -2.9250 -2.9146 -2.9069 -2.8775 -1.4753 -1.3900 -1.2936 -1.2826 -1.2098 -1.2092 -0.7240 -0.6698 0.2752 0.2838 0.8714 0.9728 1.1761 1.3783 1.5410 1.5535 1.6489 1.6737 1.7469 1.8273 2.0171 2.0223 2.1389 2.2039 2.3957 2.5480 2.6552 2.6830 2.8284 2.8806 3.3650 3.4042 3.5162 3.5294 3.6251 3.6884 3.7124 3.7291 3.7446 3.7508 3.9353 3.9357 4.0808 4.1736 4.3332 4.3596 4.6937 4.7809 5.0573 5.1035 6.6903 6.7604 8.2991 8.3430 8.6339 8.7675 8.9331 9.0472 9.5794 9.6082 9.6817 9.7037 k = 0.2162 0.2162-0.0000 ( 10265 PWs) bands (ev): -8.3116 -8.3110 -7.8048 -7.8041 -7.7894 -7.7852 -7.7093 -7.7050 -2.9237 -2.9133 -2.9060 -2.8776 -1.4696 -1.3863 -1.2945 -1.2831 -1.2128 -1.2118 -0.7478 -0.6975 0.2554 0.2647 0.8953 1.0128 1.1742 1.3904 1.5420 1.5632 1.6532 1.6704 1.7651 1.8548 2.0336 2.0489 2.1426 2.2038 2.4176 2.5540 2.6564 2.6932 2.8376 2.8883 3.3586 3.3988 3.5127 3.5245 3.6082 3.6722 3.7069 3.7095 3.7236 3.7488 3.9106 3.9124 4.0579 4.1562 4.3663 4.3958 4.7329 4.8164 5.0815 5.1266 6.6334 6.6962 8.2659 8.3109 8.5704 8.6946 8.8629 8.9631 9.5050 9.5264 9.5893 9.6168 k = 0.2027 0.2027-0.0000 ( 10281 PWs) bands (ev): -8.3274 -8.3268 -7.7961 -7.7955 -7.7824 -7.7783 -7.7067 -7.7026 -2.9223 -2.9121 -2.9051 -2.8777 -1.4634 -1.3826 -1.2952 -1.2835 -1.2160 -1.2147 -0.7718 -0.7254 0.2354 0.2453 0.9177 1.0502 1.1750 1.4027 1.5426 1.5673 1.6541 1.6658 1.7897 1.8854 2.0503 2.0757 2.1474 2.2040 2.4416 2.5597 2.6588 2.7064 2.8474 2.8965 3.3523 3.3928 3.5062 3.5191 3.5924 3.6545 3.6851 3.6939 3.7174 3.7484 3.8868 3.8905 4.0363 4.1387 4.4016 4.4346 4.7713 4.8511 5.1055 5.1494 6.5749 6.6304 8.2326 8.2786 8.5098 8.6261 8.7962 8.8831 9.3937 9.4656 9.4760 9.5522 k = 0.1892 0.1892-0.0000 ( 10277 PWs) bands (ev): -8.3424 -8.3418 -7.7877 -7.7870 -7.7755 -7.7715 -7.7045 -7.7006 -2.9208 -2.9108 -2.9041 -2.8780 -1.4568 -1.3790 -1.2956 -1.2837 -1.2195 -1.2180 -0.7959 -0.7534 0.2154 0.2259 0.9383 1.0811 1.1819 1.4156 1.5431 1.5678 1.6526 1.6601 1.8183 1.9172 2.0666 2.1024 2.1540 2.2048 2.4674 2.5653 2.6628 2.7224 2.8576 2.9050 3.3461 3.3860 3.4970 3.5134 3.5778 3.6368 3.6640 3.6740 3.7179 3.7484 3.8634 3.8698 4.0165 4.1210 4.4390 4.4755 4.8089 4.8850 5.1295 5.1720 6.5150 6.5633 8.1990 8.2459 8.4524 8.5619 8.7335 8.8075 9.2788 9.3512 9.4134 9.4875 k = 0.1757 0.1757-0.0000 ( 10265 PWs) bands (ev): -8.3566 -8.3560 -7.7795 -7.7788 -7.7688 -7.7650 -7.7026 -7.6989 -2.9192 -2.9095 -2.9031 -2.8784 -1.4498 -1.3754 -1.2956 -1.2839 -1.2232 -1.2215 -0.8199 -0.7811 0.1957 0.2067 0.9569 1.1002 1.1999 1.4289 1.5435 1.5663 1.6496 1.6535 1.8487 1.9489 2.0821 2.1282 2.1629 2.2066 2.4942 2.5710 2.6686 2.7408 2.8684 2.9140 3.3403 3.3785 3.4854 3.5074 3.5636 3.6196 3.6437 3.6556 3.7195 3.7483 3.8405 3.8500 3.9986 4.1033 4.4782 4.5183 4.8455 4.9179 5.1532 5.1942 6.4539 6.4951 8.1649 8.2125 8.3984 8.5022 8.6750 8.7369 9.1633 9.2330 9.3550 9.4233 k = 0.1622 0.1622-0.0000 ( 10271 PWs) bands (ev): -8.3699 -8.3693 -7.7715 -7.7709 -7.7624 -7.7588 -7.7010 -7.6975 -2.9176 -2.9083 -2.9020 -2.8789 -1.4425 -1.3718 -1.2954 -1.2839 -1.2271 -1.2251 -0.8436 -0.8085 0.1766 0.1878 0.9732 1.1072 1.2289 1.4425 1.5440 1.5639 1.6456 1.6466 1.8794 1.9794 2.0959 2.1519 2.1745 2.2100 2.5213 2.5769 2.6768 2.7612 2.8796 2.9234 3.3351 3.3703 3.4721 3.5008 3.5496 3.6036 3.6243 3.6394 3.7215 3.7475 3.8180 3.8310 3.9829 4.0857 4.5189 4.5622 4.8814 4.9499 5.1766 5.2160 6.3919 6.4262 8.1302 8.1783 8.3481 8.4469 8.6213 8.6716 9.0496 9.1175 9.2975 9.3604 k = 0.1486 0.1486-0.0000 ( 10275 PWs) bands (ev): -8.3823 -8.3818 -7.7640 -7.7634 -7.7562 -7.7529 -7.6997 -7.6964 -2.9160 -2.9071 -2.9009 -2.8794 -1.4349 -1.3682 -1.2948 -1.2840 -1.2310 -1.2289 -0.8668 -0.8352 0.1582 0.1695 0.9874 1.1072 1.2636 1.4560 1.5448 1.5612 1.6396 1.6411 1.9096 2.0077 2.1078 2.1714 2.1890 2.2167 2.5473 2.5832 2.6881 2.7831 2.8914 2.9333 3.3305 3.3615 3.4575 3.4934 3.5354 3.5894 3.6058 3.6254 3.7237 3.7453 3.7965 3.8127 3.9694 4.0685 4.5606 4.6065 4.9170 4.9814 5.1996 5.2371 6.3291 6.3569 8.0947 8.1429 8.3019 8.3959 8.5724 8.6120 8.9400 9.0064 9.2416 9.2996 k = 0.1351 0.1351-0.0000 ( 10265 PWs) bands (ev): -8.3938 -8.3933 -7.7568 -7.7564 -7.7504 -7.7473 -7.6985 -7.6955 -2.9144 -2.9060 -2.8998 -2.8801 -1.4270 -1.3647 -1.2939 -1.2841 -1.2349 -1.2327 -0.8892 -0.8610 0.1407 0.1520 0.9994 1.1038 1.2997 1.4691 1.5461 1.5587 1.6327 1.6364 1.9387 2.0334 2.1179 2.1843 2.2059 2.2288 2.5710 2.5897 2.7033 2.8060 2.9038 2.9435 3.3269 3.3522 3.4422 3.4850 3.5211 3.5776 3.5884 3.6135 3.7260 3.7397 3.7779 3.7947 3.9582 4.0518 4.6026 4.6502 4.9529 5.0127 5.2218 5.2573 6.2658 6.2875 8.0581 8.1061 8.2599 8.3493 8.5286 8.5584 8.8364 8.9015 9.1881 9.2414 k = 0.1216 0.1216-0.0000 ( 10249 PWs) bands (ev): -8.4043 -8.4038 -7.7502 -7.7498 -7.7450 -7.7422 -7.6976 -7.6948 -2.9128 -2.9049 -2.8986 -2.8808 -1.4189 -1.3611 -1.2928 -1.2842 -1.2388 -1.2363 -0.9107 -0.8858 0.1245 0.1354 1.0094 1.0990 1.3353 1.4810 1.5481 1.5565 1.6262 1.6317 1.9661 2.0560 2.1266 2.1910 2.2243 2.2454 2.5910 2.5965 2.7231 2.8292 2.9169 2.9542 3.3243 3.3424 3.4264 3.4753 3.5071 3.5681 3.5724 3.6034 3.7273 3.7279 3.7660 3.7773 3.9492 4.0357 4.6440 4.6920 4.9900 5.0443 5.2432 5.2764 6.2024 6.2184 8.0207 8.0679 8.2226 8.3069 8.4898 8.5109 8.7409 8.8042 9.1377 9.1864 k = 0.1081 0.1081-0.0000 ( 10239 PWs) bands (ev): -8.4138 -8.4133 -7.7441 -7.7438 -7.7400 -7.7375 -7.6968 -7.6943 -2.9112 -2.9039 -2.8974 -2.8816 -1.4107 -1.3577 -1.2914 -1.2846 -1.2426 -1.2397 -0.9310 -0.9093 0.1095 0.1200 1.0177 1.0935 1.3691 1.4912 1.5511 1.5549 1.6200 1.6272 1.9918 2.0754 2.1344 2.1943 2.2433 2.2634 2.6035 2.6068 2.7470 2.8517 2.9310 2.9652 3.3229 3.3323 3.4103 3.4642 3.4938 3.5552 3.5640 3.5947 3.7085 3.7290 3.7605 3.7607 3.9422 4.0205 4.6839 4.7306 5.0291 5.0769 5.2633 5.2942 6.1390 6.1500 7.9826 8.0283 8.1899 8.2684 8.4561 8.4695 8.6550 8.7155 9.0911 9.1351 k = 0.0946 0.0946-0.0000 ( 10241 PWs) bands (ev): -8.4222 -8.4218 -7.7386 -7.7383 -7.7354 -7.7333 -7.6962 -7.6940 -2.9097 -2.9031 -2.8963 -2.8824 -1.4024 -1.3544 -1.2899 -1.2852 -1.2461 -1.2427 -0.9499 -0.9312 0.0961 0.1058 1.0245 1.0877 1.4003 1.4991 1.5541 1.5551 1.6143 1.6230 2.0155 2.0915 2.1416 2.1960 2.2620 2.2807 2.6104 2.6188 2.7738 2.8725 2.9465 2.9764 3.3221 3.3228 3.3941 3.4520 3.4817 3.5403 3.5614 3.5873 3.6875 3.7265 3.7475 3.7578 3.9371 4.0063 4.7213 4.7649 5.0709 5.1111 5.2819 5.3104 6.0761 6.0826 7.9448 7.9879 8.1618 8.2336 8.4273 8.4342 8.5800 8.6363 9.0488 9.0880 k = 0.0811 0.0811-0.0000 ( 10241 PWs) bands (ev): -8.4295 -8.4292 -7.7337 -7.7336 -7.7313 -7.7296 -7.6957 -7.6938 -2.9083 -2.9024 -2.8951 -2.8833 -1.3942 -1.3515 -1.2884 -1.2861 -1.2491 -1.2452 -0.9671 -0.9513 0.0844 0.0931 1.0300 1.0818 1.4283 1.5046 1.5545 1.5601 1.6091 1.6190 2.0370 2.1044 2.1486 2.1966 2.2796 2.2963 2.6171 2.6278 2.8018 2.8903 2.9634 2.9877 3.3122 3.3240 3.3780 3.4392 3.4711 3.5261 3.5618 3.5812 3.6665 3.7157 3.7425 3.7561 3.9336 3.9933 4.7551 4.7939 5.1156 5.1472 5.2988 5.3248 6.0142 6.0170 7.9082 7.9476 8.1384 8.2023 8.4032 8.4049 8.5167 8.5672 9.0113 9.0456 k = 0.0676 0.0676-0.0000 ( 10261 PWs) bands (ev): -8.4358 -8.4355 -7.7295 -7.7295 -7.7278 -7.7264 -7.6952 -7.6936 -2.9069 -2.9018 -2.8940 -2.8842 -1.3861 -1.3491 -1.2872 -1.2872 -1.2516 -1.2472 -0.9822 -0.9693 0.0744 0.0820 1.0347 1.0762 1.4522 1.5081 1.5562 1.5653 1.6045 1.6153 2.0563 2.1139 2.1554 2.1964 2.2955 2.3099 2.6235 2.6345 2.8293 2.9046 2.9812 2.9990 3.3028 3.3260 3.3628 3.4261 3.4625 3.5124 3.5648 3.5763 3.6468 3.6999 3.7425 3.7548 3.9317 3.9815 4.7845 4.8173 5.1624 5.1849 5.3137 5.3372 5.9539 5.9541 7.8742 7.9088 8.1195 8.1745 8.3813 8.3836 8.4653 8.5083 8.9791 9.0083 k = 0.0541 0.0541-0.0000 ( 10257 PWs) bands (ev): -8.4409 -8.4407 -7.7262 -7.7260 -7.7247 -7.7238 -7.6948 -7.6936 -2.9057 -2.9015 -2.8929 -2.8851 -1.3783 -1.3475 -1.2883 -1.2864 -1.2532 -1.2486 -0.9951 -0.9849 0.0663 0.0726 1.0388 1.0708 1.4716 1.5100 1.5598 1.5703 1.6004 1.6117 2.0733 2.1202 2.1620 2.1954 2.3093 2.3211 2.6293 2.6393 2.8548 2.9151 2.9988 3.0098 3.2948 3.3270 3.3505 3.4133 3.4562 3.4994 3.5700 3.5728 3.6294 3.6829 3.7437 3.7536 3.9311 3.9709 4.8091 4.8353 5.2098 5.2234 5.3265 5.3477 5.8947 5.8969 7.8443 7.8730 8.1050 8.1500 8.3636 8.3685 8.4250 8.4594 8.9527 8.9765 k = 0.0405 0.0405-0.0000 ( 10267 PWs) bands (ev): -8.4449 -8.4448 -7.7236 -7.7233 -7.7223 -7.7218 -7.6945 -7.6936 -2.9046 -2.9013 -2.8919 -2.8861 -1.3710 -1.3469 -1.2893 -1.2864 -1.2539 -1.2496 -1.0052 -0.9977 0.0601 0.0649 1.0424 1.0658 1.4862 1.5107 1.5653 1.5747 1.5968 1.6078 2.0879 2.1234 2.1684 2.1938 2.3208 2.3297 2.6343 2.6424 2.8772 2.9219 3.0146 3.0198 3.2888 3.3215 3.3470 3.4010 3.4525 3.4872 3.5709 3.5763 3.6153 3.6659 3.7451 3.7526 3.9319 3.9617 4.8287 4.8482 5.2549 5.2605 5.3374 5.3561 5.8414 5.8447 7.8200 7.8421 8.0950 8.1293 8.3516 8.3576 8.3949 8.4200 8.9325 8.9506 k = 0.0270 0.0270-0.0000 ( 10263 PWs) bands (ev): -8.4478 -8.4477 -7.7218 -7.7214 -7.7205 -7.7203 -7.6943 -7.6936 -2.9036 -2.9014 -2.8908 -2.8870 -1.3642 -1.3477 -1.2897 -1.2869 -1.2539 -1.2505 -1.0124 -1.0075 0.0559 0.0592 1.0459 1.0612 1.4963 1.5105 1.5722 1.5783 1.5939 1.6033 2.1000 2.1239 2.1743 2.1914 2.3295 2.3355 2.6385 2.6442 2.8957 2.9250 3.0268 3.0283 3.2858 3.3104 3.3516 3.3894 3.4517 3.4761 3.5707 3.5813 3.6073 3.6496 3.7465 3.7515 3.9339 3.9537 4.8434 4.8562 5.2925 5.2933 5.3467 5.3626 5.7974 5.8006 7.8026 7.8176 8.0895 8.1126 8.3456 8.3509 8.3735 8.3897 8.9187 8.9309 k = 0.0135 0.0135-0.0000 ( 10277 PWs) bands (ev): -8.4495 -8.4494 -7.7206 -7.7204 -7.7194 -7.7194 -7.6940 -7.6937 -2.9027 -2.9016 -2.8899 -2.8880 -1.3583 -1.3498 -1.2896 -1.2879 -1.2532 -1.2514 -1.0164 -1.0139 0.0537 0.0553 1.0494 1.0570 1.5028 1.5092 1.5788 1.5811 1.5922 1.5983 2.1098 2.1217 2.1797 2.1882 2.3354 2.3384 2.6417 2.6446 2.9098 2.9242 3.0343 3.0343 3.2865 3.2996 3.3593 3.3785 3.4539 3.4664 3.5724 3.5803 3.6100 3.6342 3.7479 3.7503 3.9370 3.9469 4.8533 4.8596 5.3149 5.3178 5.3562 5.3662 5.7677 5.7696 7.7933 7.8009 8.0885 8.1001 8.3457 8.3485 8.3597 8.3679 8.9116 8.9177 k = 0.0000 0.0000 0.0000 ( 10291 PWs) bands (ev): -8.4501 -8.4501 -7.7201 -7.7201 -7.7191 -7.7191 -7.6939 -7.6939 -2.9021 -2.9021 -2.8889 -2.8889 -1.3535 -1.3535 -1.2889 -1.2889 -1.2523 -1.2523 -1.0169 -1.0169 0.0535 0.0535 1.0530 1.0530 1.5068 1.5068 1.5821 1.5821 1.5936 1.5936 2.1170 2.1170 2.1843 2.1843 2.3384 2.3384 2.6437 2.6437 2.9192 2.9192 3.0367 3.0367 3.2912 3.2912 3.3684 3.3684 3.4589 3.4589 3.5759 3.5759 3.6205 3.6205 3.7491 3.7491 3.9414 3.9414 4.8587 4.8587 5.3241 5.3241 5.3644 5.3644 5.7576 5.7576 7.7927 7.7927 8.0920 8.0920 8.3496 8.3496 8.3551 8.3551 8.9113 8.9113 k = 0.0000 0.0000 0.0000 ( 10291 PWs) bands (ev): -8.4501 -8.4501 -7.7201 -7.7201 -7.7191 -7.7191 -7.6939 -7.6939 -2.9021 -2.9021 -2.8889 -2.8889 -1.3535 -1.3535 -1.2889 -1.2889 -1.2523 -1.2523 -1.0169 -1.0169 0.0535 0.0535 1.0530 1.0530 1.5068 1.5068 1.5821 1.5821 1.5936 1.5936 2.1170 2.1170 2.1843 2.1843 2.3384 2.3384 2.6437 2.6437 2.9192 2.9192 3.0367 3.0367 3.2912 3.2912 3.3684 3.3684 3.4589 3.4589 3.5759 3.5759 3.6205 3.6205 3.7491 3.7491 3.9414 3.9414 4.8587 4.8587 5.3241 5.3241 5.3644 5.3644 5.7576 5.7576 7.7927 7.7927 8.0920 8.0920 8.3496 8.3496 8.3551 8.3551 8.9113 8.9113 k = 0.0000 0.0000 0.0191 ( 10259 PWs) bands (ev): -8.4495 -8.4495 -7.7201 -7.7201 -7.7190 -7.7190 -7.6945 -7.6945 -2.9020 -2.9020 -2.8890 -2.8890 -1.3536 -1.3536 -1.2898 -1.2898 -1.2520 -1.2520 -1.0143 -1.0143 0.0533 0.0533 1.0534 1.0534 1.5063 1.5063 1.5819 1.5819 1.5940 1.5940 2.1161 2.1161 2.1817 2.1817 2.3375 2.3375 2.6405 2.6405 2.9201 2.9201 3.0365 3.0365 3.2947 3.2947 3.3684 3.3684 3.4589 3.4589 3.5759 3.5759 3.6205 3.6205 3.7497 3.7497 3.9409 3.9409 4.8572 4.8572 5.3220 5.3220 5.3547 5.3547 5.7699 5.7699 7.7950 7.7950 8.0962 8.0962 8.3537 8.3537 8.3570 8.3570 8.9151 8.9151 k = 0.0000 0.0000 0.0381 ( 10259 PWs) bands (ev): -8.4480 -8.4480 -7.7202 -7.7202 -7.7190 -7.7190 -7.6965 -7.6965 -2.9019 -2.9019 -2.8895 -2.8895 -1.3542 -1.3542 -1.2924 -1.2924 -1.2510 -1.2510 -1.0067 -1.0067 0.0528 0.0528 1.0543 1.0543 1.5049 1.5049 1.5814 1.5814 1.5951 1.5951 2.1134 2.1134 2.1741 2.1741 2.3349 2.3349 2.6312 2.6312 2.9227 2.9227 3.0362 3.0362 3.3049 3.3049 3.3683 3.3683 3.4591 3.4591 3.5758 3.5758 3.6202 3.6202 3.7514 3.7514 3.9396 3.9396 4.8526 4.8526 5.3142 5.3142 5.3301 5.3301 5.8036 5.8036 7.8020 7.8020 8.1086 8.1086 8.3620 8.3620 8.3667 8.3667 8.9264 8.9264 k = 0.0000 0.0000 0.0572 ( 10243 PWs) bands (ev): -8.4455 -8.4455 -7.7203 -7.7203 -7.7189 -7.7189 -7.6997 -7.6997 -2.9017 -2.9017 -2.8902 -2.8902 -1.3552 -1.3552 -1.2960 -1.2960 -1.2496 -1.2496 -0.9945 -0.9945 0.0520 0.0520 1.0559 1.0559 1.5026 1.5026 1.5809 1.5809 1.5967 1.5967 2.1085 2.1085 2.1618 2.1618 2.3307 2.3307 2.6166 2.6166 2.9267 2.9267 3.0364 3.0364 3.3202 3.3202 3.3683 3.3683 3.4595 3.4595 3.5756 3.5756 3.6199 3.6199 3.7542 3.7542 3.9373 3.9373 4.8451 4.8451 5.2867 5.2867 5.3111 5.3111 5.8525 5.8525 7.8136 7.8136 8.1291 8.1291 8.3714 8.3714 8.3873 8.3873 8.9453 8.9453 k = 0.0000 0.0000 0.0762 ( 10239 PWs) bands (ev): -8.4419 -8.4419 -7.7205 -7.7205 -7.7188 -7.7188 -7.7041 -7.7041 -2.9015 -2.9015 -2.8911 -2.8911 -1.3570 -1.3570 -1.2998 -1.2998 -1.2478 -1.2478 -0.9781 -0.9781 0.0509 0.0509 1.0580 1.0580 1.4994 1.4994 1.5803 1.5803 1.5986 1.5986 2.1007 2.1007 2.1460 2.1460 2.3248 2.3248 2.5980 2.5980 2.9318 2.9318 3.0375 3.0375 3.3387 3.3387 3.3690 3.3690 3.4601 3.4601 3.5754 3.5754 3.6194 3.6194 3.7581 3.7581 3.9343 3.9343 4.8346 4.8346 5.2450 5.2450 5.2975 5.2975 5.9113 5.9113 7.8296 7.8296 8.1573 8.1573 8.3843 8.3843 8.4163 8.4163 8.9716 8.9716 k = 0.0000 0.0000 0.0953 ( 10247 PWs) bands (ev): -8.4374 -8.4374 -7.7208 -7.7208 -7.7187 -7.7187 -7.7096 -7.7096 -2.9012 -2.9012 -2.8923 -2.8923 -1.3597 -1.3597 -1.3031 -1.3031 -1.2458 -1.2458 -0.9582 -0.9582 0.0495 0.0495 1.0607 1.0607 1.4953 1.4953 1.5799 1.5799 1.6006 1.6006 2.0879 2.0879 2.1291 2.1291 2.3173 2.3173 2.5767 2.5767 2.9375 2.9375 3.0401 3.0401 3.3555 3.3555 3.3732 3.3732 3.4611 3.4611 3.5752 3.5752 3.6188 3.6188 3.7631 3.7631 3.9305 3.9305 4.8214 4.8214 5.2004 5.2004 5.2816 5.2816 5.9767 5.9767 7.8499 7.8499 8.1927 8.1927 8.4013 8.4013 8.4533 8.4533 9.0052 9.0052 k = 0.0000 0.0000 0.1144 ( 10239 PWs) bands (ev): -8.4319 -8.4319 -7.7221 -7.7221 -7.7188 -7.7188 -7.7152 -7.7152 -2.9011 -2.9011 -2.8935 -2.8935 -1.3635 -1.3635 -1.3053 -1.3053 -1.2435 -1.2435 -0.9353 -0.9353 0.0479 0.0479 1.0638 1.0638 1.4905 1.4905 1.5795 1.5795 1.6025 1.6025 2.0675 2.0675 2.1143 2.1143 2.3084 2.3084 2.5537 2.5537 2.9437 2.9437 3.0443 3.0443 3.3614 3.3614 3.3885 3.3885 3.4631 3.4631 3.5752 3.5752 3.6181 3.6181 3.7691 3.7691 3.9262 3.9262 4.8055 4.8055 5.1554 5.1554 5.2631 5.2631 6.0468 6.0468 7.8742 7.8742 8.2346 8.2346 8.4226 8.4226 8.4981 8.4981 9.0458 9.0458 k = 0.0000 0.0000 0.1334 ( 10231 PWs) bands (ev): -8.4254 -8.4254 -7.7272 -7.7272 -7.7193 -7.7193 -7.7177 -7.7177 -2.9010 -2.9010 -2.8947 -2.8947 -1.3683 -1.3683 -1.3062 -1.3062 -1.2411 -1.2411 -0.9099 -0.9099 0.0460 0.0460 1.0673 1.0673 1.4850 1.4850 1.5791 1.5791 1.6043 1.6043 2.0396 2.0396 2.1023 2.1023 2.2982 2.2982 2.5298 2.5298 2.9502 2.9502 3.0502 3.0502 3.3621 3.3621 3.4074 3.4074 3.4668 3.4668 3.5754 3.5754 3.6175 3.6175 3.7762 3.7762 3.9214 3.9214 4.7872 4.7872 5.1112 5.1112 5.2420 5.2420 6.1202 6.1202 7.9023 7.9023 8.2816 8.2816 8.4489 8.4489 8.5505 8.5505 9.0934 9.0934 k = 0.0000 0.0000 0.1525 ( 10263 PWs) bands (ev): -8.4181 -8.4181 -7.7357 -7.7357 -7.7198 -7.7198 -7.7179 -7.7179 -2.9015 -2.9015 -2.8955 -2.8955 -1.3738 -1.3738 -1.3060 -1.3060 -1.2384 -1.2384 -0.8823 -0.8823 0.0439 0.0439 1.0711 1.0711 1.4789 1.4789 1.5786 1.5786 1.6056 1.6056 2.0066 2.0066 2.0918 2.0918 2.2868 2.2868 2.5056 2.5056 2.9568 2.9568 3.0576 3.0576 3.3617 3.3617 3.4231 3.4231 3.4735 3.4735 3.5759 3.5759 3.6168 3.6168 3.7841 3.7841 3.9163 3.9163 4.7666 4.7666 5.0687 5.0687 5.2187 5.2187 6.1962 6.1962 7.9340 7.9340 8.3319 8.3319 8.4816 8.4816 8.6102 8.6102 9.1475 9.1475 k = 0.0000 0.0000 0.1715 ( 10259 PWs) bands (ev): -8.4099 -8.4099 -7.7458 -7.7458 -7.7200 -7.7200 -7.7178 -7.7178 -2.9026 -2.9026 -2.8958 -2.8958 -1.3797 -1.3797 -1.3046 -1.3046 -1.2356 -1.2356 -0.8530 -0.8530 0.0417 0.0417 1.0750 1.0750 1.4722 1.4722 1.5778 1.5778 1.6063 1.6063 1.9708 1.9708 2.0818 2.0818 2.2744 2.2744 2.4814 2.4814 2.9636 2.9636 3.0664 3.0664 3.3610 3.3610 3.4334 3.4334 3.4841 3.4841 3.5772 3.5772 3.6162 3.6162 3.7927 3.7927 3.9112 3.9112 4.7440 4.7440 5.0281 5.0281 5.1936 5.1936 6.2741 6.2741 7.9688 7.9688 8.3826 8.3826 8.5230 8.5230 8.6770 8.6770 9.2080 9.2080 k = 0.0000 0.0000 0.1906 ( 10235 PWs) bands (ev): -8.4008 -8.4008 -7.7570 -7.7570 -7.7201 -7.7201 -7.7177 -7.7177 -2.9042 -2.9042 -2.8956 -2.8956 -1.3858 -1.3858 -1.3025 -1.3025 -1.2327 -1.2327 -0.8222 -0.8222 0.0393 0.0393 1.0789 1.0789 1.4652 1.4652 1.5766 1.5766 1.6059 1.6059 1.9341 1.9341 2.0720 2.0720 2.2611 2.2611 2.4575 2.4575 2.9706 2.9706 3.0764 3.0764 3.3603 3.3603 3.4390 3.4390 3.4969 3.4969 3.5795 3.5795 3.6157 3.6157 3.8018 3.8018 3.9065 3.9065 4.7198 4.7198 4.9898 4.9898 5.1670 5.1670 6.3534 6.3534 8.0064 8.0064 8.4307 8.4307 8.5753 8.5753 8.7504 8.7504 9.2746 9.2746 k = 0.0000 0.0000 0.2096 ( 10235 PWs) bands (ev): -8.3910 -8.3910 -7.7691 -7.7691 -7.7202 -7.7202 -7.7176 -7.7176 -2.9062 -2.9062 -2.8952 -2.8952 -1.3918 -1.3918 -1.2997 -1.2997 -1.2296 -1.2296 -0.7903 -0.7903 0.0369 0.0369 1.0825 1.0825 1.4578 1.4578 1.5749 1.5749 1.6039 1.6039 1.8981 1.8981 2.0622 2.0622 2.2472 2.2472 2.4339 2.4339 2.9776 2.9776 3.0873 3.0873 3.3595 3.3595 3.4419 3.4419 3.5091 3.5091 3.5833 3.5833 3.6154 3.6154 3.8108 3.8108 3.9024 3.9024 4.6945 4.6945 4.9539 4.9539 5.1392 5.1392 6.4335 6.4335 8.0465 8.0465 8.4744 8.4744 8.6394 8.6394 8.8301 8.8301 9.3468 9.3468 k = 0.0000 0.0000 0.2287 ( 10235 PWs) bands (ev): -8.3805 -8.3805 -7.7820 -7.7820 -7.7203 -7.7203 -7.7174 -7.7174 -2.9084 -2.9084 -2.8945 -2.8945 -1.3976 -1.3976 -1.2964 -1.2964 -1.2265 -1.2265 -0.7576 -0.7576 0.0345 0.0345 1.0855 1.0855 1.4502 1.4502 1.5723 1.5723 1.5997 1.5997 1.8647 1.8647 2.0526 2.0526 2.2327 2.2327 2.4106 2.4106 2.9847 2.9847 3.0989 3.0989 3.3589 3.3589 3.4435 3.4435 3.5189 3.5189 3.5885 3.5885 3.6155 3.6155 3.8191 3.8191 3.8998 3.8998 4.6683 4.6683 4.9203 4.9203 5.1107 5.1107 6.5139 6.5139 8.0887 8.0887 8.5145 8.5145 8.7136 8.7136 8.9157 8.9157 9.4242 9.4242 k = 0.0000 0.0000 0.2478 ( 10251 PWs) bands (ev): -8.3694 -8.3694 -7.7955 -7.7955 -7.7203 -7.7203 -7.7173 -7.7173 -2.9106 -2.9106 -2.8938 -2.8938 -1.4030 -1.4030 -1.2928 -1.2928 -1.2233 -1.2233 -0.7244 -0.7244 0.0321 0.0321 1.0876 1.0876 1.4425 1.4425 1.5685 1.5685 1.5929 1.5929 1.8356 1.8356 2.0433 2.0433 2.2179 2.2179 2.3878 2.3878 2.9919 2.9919 3.1109 3.1109 3.3584 3.3584 3.4444 3.4444 3.5258 3.5258 3.5949 3.5949 3.6163 3.6163 3.8257 3.8257 3.8993 3.8993 4.6417 4.6417 4.8891 4.8891 5.0818 5.0818 6.5942 6.5942 8.1325 8.1325 8.5521 8.5521 8.7955 8.7955 9.0068 9.0068 9.5065 9.5065 k = 0.0000 0.0000 0.2668 ( 10263 PWs) bands (ev): -8.3577 -8.3577 -7.8096 -7.8096 -7.7203 -7.7203 -7.7171 -7.7171 -2.9129 -2.9129 -2.8930 -2.8930 -1.4080 -1.4080 -1.2890 -1.2890 -1.2202 -1.2202 -0.6910 -0.6910 0.0299 0.0299 1.0884 1.0884 1.4349 1.4349 1.5624 1.5624 1.5840 1.5840 1.8123 1.8123 2.0347 2.0347 2.2030 2.2030 2.3655 2.3655 2.9991 2.9991 3.1230 3.1230 3.3580 3.3580 3.4449 3.4449 3.5301 3.5301 3.6009 3.6009 3.6186 3.6186 3.8298 3.8298 3.9018 3.9018 4.6152 4.6152 4.8602 4.8602 5.0529 5.0529 6.6738 6.6738 8.1776 8.1776 8.5883 8.5883 8.8827 8.8827 9.1028 9.1028 9.5928 9.5928 k = 0.0000 0.0000 0.2859 ( 10263 PWs) bands (ev): -8.3456 -8.3456 -7.8242 -7.8242 -7.7204 -7.7204 -7.7170 -7.7170 -2.9151 -2.9151 -2.8923 -2.8923 -1.4126 -1.4126 -1.2851 -1.2851 -1.2171 -1.2171 -0.6579 -0.6579 0.0279 0.0279 1.0874 1.0874 1.4275 1.4275 1.5525 1.5525 1.5749 1.5749 1.7953 1.7953 2.0267 2.0267 2.1880 2.1880 2.3437 2.3437 3.0061 3.0061 3.1351 3.1351 3.3579 3.3579 3.4453 3.4453 3.5326 3.5326 3.6049 3.6049 3.6233 3.6233 3.8312 3.8312 3.9072 3.9072 4.5891 4.5891 4.8335 4.8335 5.0244 5.0244 6.7521 6.7521 8.2236 8.2236 8.6233 8.6233 8.9727 8.9727 9.2032 9.2032 9.6804 9.6804 k = 0.0000 0.0000 0.3049 ( 10251 PWs) bands (ev): -8.3331 -8.3331 -7.8389 -7.8389 -7.7204 -7.7204 -7.7169 -7.7169 -2.9172 -2.9172 -2.8915 -2.8915 -1.4167 -1.4167 -1.2811 -1.2811 -1.2142 -1.2142 -0.6253 -0.6253 0.0261 0.0261 1.0841 1.0841 1.4205 1.4205 1.5384 1.5384 1.5671 1.5671 1.7841 1.7841 2.0198 2.0198 2.1732 2.1732 2.3225 2.3225 3.0130 3.0130 3.1469 3.1469 3.3580 3.3580 3.4457 3.4457 3.5338 3.5338 3.6070 3.6070 3.6299 3.6299 3.8303 3.8303 3.9151 3.9151 4.5639 4.5639 4.8092 4.8092 4.9966 4.9966 6.8283 6.8283 8.2699 8.2699 8.6573 8.6573 9.0620 9.0620 9.3073 9.3073 9.6587 9.6587 k = 0.0000 0.0000 0.3240 ( 10247 PWs) bands (ev): -8.3206 -8.3206 -7.8537 -7.8537 -7.7204 -7.7204 -7.7167 -7.7167 -2.9193 -2.9193 -2.8907 -2.8907 -1.4204 -1.4204 -1.2772 -1.2772 -1.2114 -1.2114 -0.5938 -0.5938 0.0247 0.0247 1.0782 1.0782 1.4142 1.4142 1.5223 1.5223 1.5601 1.5601 1.7777 1.7777 2.0140 2.0140 2.1588 2.1588 2.3022 2.3022 3.0196 3.0196 3.1582 3.1582 3.3584 3.3584 3.4459 3.4459 3.5343 3.5343 3.6079 3.6079 3.6370 3.6370 3.8279 3.8279 3.9244 3.9244 4.5399 4.5399 4.7870 4.7870 4.9700 4.9700 6.9019 6.9019 8.3160 8.3160 8.6899 8.6899 9.1447 9.1447 9.4140 9.4140 9.6180 9.6180 k = 0.0000 0.0000 0.3431 ( 10271 PWs) bands (ev): -8.3080 -8.3080 -7.8684 -7.8684 -7.7204 -7.7204 -7.7166 -7.7166 -2.9212 -2.9212 -2.8900 -2.8900 -1.4236 -1.4236 -1.2734 -1.2734 -1.2087 -1.2087 -0.5637 -0.5637 0.0236 0.0236 1.0696 1.0696 1.4090 1.4090 1.5066 1.5066 1.5530 1.5530 1.7747 1.7747 2.0095 2.0095 2.1447 2.1447 2.2829 2.2829 3.0259 3.0259 3.1687 3.1687 3.3590 3.3590 3.4462 3.4462 3.5342 3.5342 3.6085 3.6085 3.6439 3.6439 3.8247 3.8247 3.9342 3.9342 4.5174 4.5174 4.7672 4.7672 4.9448 4.9448 6.9718 6.9718 8.3614 8.3614 8.7208 8.7208 9.2095 9.2095 9.5216 9.5216 9.5998 9.5998 k = 0.0000 0.0000 0.3621 ( 10267 PWs) bands (ev): -8.2956 -8.2956 -7.8827 -7.8827 -7.7204 -7.7204 -7.7165 -7.7165 -2.9229 -2.9229 -2.8894 -2.8894 -1.4265 -1.4265 -1.2699 -1.2699 -1.2063 -1.2063 -0.5356 -0.5356 0.0230 0.0230 1.0585 1.0585 1.4052 1.4052 1.4931 1.4931 1.5455 1.5455 1.7740 1.7740 2.0065 2.0065 2.1313 2.1313 2.2647 2.2647 3.0318 3.0318 3.1783 3.1783 3.3598 3.3598 3.4466 3.4466 3.5339 3.5339 3.6088 3.6088 3.6501 3.6501 3.8213 3.8213 3.9439 3.9439 4.4967 4.4967 4.7496 4.7496 4.9214 4.9214 7.0372 7.0372 8.4055 8.4055 8.7497 8.7497 9.2414 9.2414 9.6088 9.6088 9.6394 9.6394 k = 0.0000 0.0000 0.3812 ( 10267 PWs) bands (ev): -8.2838 -8.2838 -7.8963 -7.8963 -7.7204 -7.7204 -7.7164 -7.7164 -2.9245 -2.9245 -2.8888 -2.8888 -1.4289 -1.4289 -1.2667 -1.2667 -1.2042 -1.2042 -0.5099 -0.5099 0.0227 0.0227 1.0455 1.0455 1.4027 1.4027 1.4823 1.4823 1.5374 1.5374 1.7747 1.7747 2.0050 2.0050 2.1185 2.1185 2.2480 2.2480 3.0371 3.0371 3.1869 3.1869 3.3608 3.3608 3.4469 3.4469 3.5334 3.5334 3.6092 3.6092 3.6556 3.6556 3.8180 3.8180 3.9531 3.9531 4.4780 4.4780 4.7343 4.7343 4.9003 4.9003 7.0972 7.0972 8.4475 8.4475 8.7760 8.7760 9.2376 9.2376 9.6692 9.6692 9.7432 9.7432 k = 0.0000 0.0000 0.4002 ( 10267 PWs) bands (ev): -8.2727 -8.2727 -7.9088 -7.9088 -7.7204 -7.7204 -7.7164 -7.7164 -2.9258 -2.9258 -2.8883 -2.8883 -1.4309 -1.4309 -1.2638 -1.2638 -1.2023 -1.2023 -0.4872 -0.4872 0.0228 0.0228 1.0316 1.0316 1.4014 1.4014 1.4746 1.4746 1.5289 1.5289 1.7761 1.7761 2.0050 2.0050 2.1066 2.1066 2.2332 2.2332 3.0418 3.0418 3.1943 3.1943 3.3620 3.3620 3.4473 3.4473 3.5328 3.5328 3.6095 3.6095 3.6602 3.6602 3.8149 3.8149 3.9615 3.9615 4.4616 4.4616 4.7214 4.7214 4.8817 4.8817 7.1506 7.1506 8.4866 8.4866 8.7994 8.7994 9.2124 9.2124 9.7499 9.7499 9.8468 9.8468 k = 0.0000 0.0000 0.4193 ( 10259 PWs) bands (ev): -8.2628 -8.2628 -7.9200 -7.9200 -7.7204 -7.7204 -7.7163 -7.7163 -2.9269 -2.9269 -2.8878 -2.8878 -1.4325 -1.4325 -1.2614 -1.2614 -1.2008 -1.2008 -0.4678 -0.4678 0.0232 0.0232 1.0180 1.0180 1.4011 1.4011 1.4702 1.4702 1.5201 1.5201 1.7778 1.7778 2.0063 2.0063 2.0956 2.0956 2.2204 2.2204 3.0457 3.0457 3.2003 3.2003 3.3631 3.3631 3.4477 3.4477 3.5323 3.5323 3.6097 3.6097 3.6640 3.6640 3.8122 3.8122 3.9687 3.9687 4.4478 4.4478 4.7109 4.7109 4.8659 4.8659 7.1963 7.1963 8.5218 8.5218 8.8194 8.8194 9.1799 9.1799 9.8387 9.8387 9.9431 9.9431 k = 0.0000 0.0000 0.4383 ( 10252 PWs) bands (ev): -8.2545 -8.2545 -7.9293 -7.9293 -7.7204 -7.7204 -7.7162 -7.7162 -2.9278 -2.9278 -2.8875 -2.8875 -1.4337 -1.4337 -1.2595 -1.2595 -1.1995 -1.1995 -0.4523 -0.4523 0.0237 0.0237 1.0059 1.0059 1.4012 1.4012 1.4689 1.4689 1.5111 1.5111 1.7794 1.7794 2.0087 2.0087 2.0859 2.0859 2.2100 2.2100 3.0489 3.0489 3.2051 3.2051 3.3641 3.3641 3.4480 3.4480 3.5318 3.5318 3.6099 3.6099 3.6669 3.6669 3.8101 3.8101 3.9746 3.9746 4.4368 4.4368 4.7028 4.7028 4.8533 4.8533 7.2333 7.2333 8.5519 8.5519 8.8356 8.8356 9.1479 9.1479 9.9256 9.9256 10.0266 10.0266 k = 0.0000 0.0000 0.4574 ( 10260 PWs) bands (ev): -8.2481 -8.2481 -7.9364 -7.9364 -7.7204 -7.7204 -7.7162 -7.7162 -2.9285 -2.9285 -2.8872 -2.8872 -1.4346 -1.4346 -1.2580 -1.2580 -1.1986 -1.1986 -0.4410 -0.4410 0.0242 0.0242 0.9964 0.9964 1.4015 1.4015 1.4702 1.4702 1.5026 1.5026 1.7807 1.7807 2.0114 2.0114 2.0780 2.0780 2.2023 2.2023 3.0512 3.0512 3.2084 3.2084 3.3649 3.3649 3.4483 3.4483 3.5314 3.5314 3.6101 3.6101 3.6690 3.6690 3.8085 3.8085 3.9789 3.9789 4.4288 4.4288 4.6969 4.6969 4.8441 4.8441 7.2606 7.2606 8.5752 8.5752 8.8475 8.8475 9.1214 9.1214 10.0015 10.0015 10.0906 10.0906 k = 0.0000 0.0000 0.4765 ( 10292 PWs) bands (ev): -8.2441 -8.2441 -7.9408 -7.9408 -7.7204 -7.7204 -7.7162 -7.7162 -2.9288 -2.9288 -2.8871 -2.8871 -1.4351 -1.4351 -1.2572 -1.2572 -1.1981 -1.1981 -0.4340 -0.4340 0.0246 0.0246 0.9903 0.9903 1.4016 1.4016 1.4732 1.4732 1.4954 1.4954 1.7815 1.7815 2.0138 2.0138 2.0726 2.0726 2.1976 2.1976 3.0526 3.0526 3.2105 3.2105 3.3654 3.3654 3.4485 3.4485 3.5311 3.5311 3.6102 3.6102 3.6702 3.6702 3.8075 3.8075 3.9816 3.9816 4.4239 4.4239 4.6934 4.6934 4.8385 4.8385 7.2773 7.2773 8.5902 8.5902 8.8550 8.8550 9.1039 9.1039 10.0562 10.0562 10.1292 10.1292 k = 0.0000 0.0000 0.4955 ( 10292 PWs) bands (ev): -8.2428 -8.2428 -7.9423 -7.9423 -7.7204 -7.7204 -7.7162 -7.7162 -2.9290 -2.9290 -2.8870 -2.8870 -1.4353 -1.4353 -1.2569 -1.2569 -1.1979 -1.1979 -0.4317 -0.4317 0.0248 0.0248 0.9882 0.9882 1.4017 1.4017 1.4751 1.4751 1.4921 1.4921 1.7818 1.7818 2.0148 2.0148 2.0706 2.0706 2.1961 2.1961 3.0530 3.0530 3.2111 3.2111 3.3656 3.3656 3.4486 3.4486 3.5310 3.5310 3.6102 3.6102 3.6706 3.6706 3.8072 3.8072 3.9824 3.9824 4.4223 4.4223 4.6923 4.6923 4.8366 4.8366 7.2829 7.2829 8.5953 8.5953 8.8575 8.8575 9.0978 9.0978 10.0769 10.0769 10.1414 10.1414 k = 0.0000 0.0000 0.4955 ( 10292 PWs) bands (ev): -8.2428 -8.2428 -7.9423 -7.9423 -7.7204 -7.7204 -7.7162 -7.7162 -2.9290 -2.9290 -2.8870 -2.8870 -1.4353 -1.4353 -1.2569 -1.2569 -1.1979 -1.1979 -0.4317 -0.4317 0.0248 0.0248 0.9882 0.9882 1.4017 1.4017 1.4751 1.4751 1.4921 1.4921 1.7818 1.7818 2.0148 2.0148 2.0706 2.0706 2.1961 2.1961 3.0530 3.0530 3.2111 3.2111 3.3656 3.3656 3.4486 3.4486 3.5310 3.5310 3.6102 3.6102 3.6706 3.6706 3.8072 3.8072 3.9824 3.9824 4.4223 4.4223 4.6923 4.6923 4.8366 4.8366 7.2829 7.2829 8.5953 8.5953 8.8575 8.8575 9.0978 9.0978 10.0769 10.0769 10.1414 10.1414 k = 0.0000 0.0192 0.4955 ( 10278 PWs) bands (ev): -8.2425 -8.2422 -7.9422 -7.9420 -7.7209 -7.7207 -7.7166 -7.7165 -2.9302 -2.9276 -2.8874 -2.8867 -1.4398 -1.4306 -1.2592 -1.2546 -1.1991 -1.1968 -0.4342 -0.4303 0.0187 0.0317 0.9846 0.9919 1.3881 1.4038 1.4644 1.4793 1.4973 1.4976 1.7685 1.7977 1.9968 2.0303 2.0670 2.0783 2.1744 2.2219 3.0466 3.0561 3.2075 3.2096 3.3645 3.3651 3.4397 3.4629 3.5261 3.5361 3.6032 3.6189 3.6641 3.6768 3.8047 3.8127 3.9822 3.9837 4.4228 4.4242 4.6913 4.6914 4.8316 4.8392 7.2732 7.2914 8.5894 8.6070 8.8576 8.8653 9.0814 9.1204 10.0690 10.0782 10.1261 10.1584 k = 0.0000 0.0385 0.4955 ( 10270 PWs) bands (ev): -8.2413 -8.2408 -7.9417 -7.9414 -7.7222 -7.7216 -7.7175 -7.7172 -2.9314 -2.9262 -2.8878 -2.8864 -1.4441 -1.4258 -1.2614 -1.2522 -1.2001 -1.1957 -0.4378 -0.4300 0.0135 0.0395 0.9810 0.9956 1.3654 1.3963 1.4536 1.4750 1.5049 1.5136 1.7583 1.8157 1.9790 2.0396 2.0662 2.0907 2.1598 2.2505 3.0369 3.0556 3.1993 3.2030 3.3608 3.3645 3.4384 3.4798 3.5215 3.5414 3.5981 3.6287 3.6572 3.6827 3.8050 3.8210 3.9828 3.9857 4.4256 4.4283 4.6884 4.6885 4.8243 4.8395 7.2624 7.2985 8.5891 8.6243 8.8656 8.8810 9.0709 9.1493 10.0483 10.0765 10.1200 10.1722 k = 0.0000 0.0577 0.4955 ( 10274 PWs) bands (ev): -8.2392 -8.2384 -7.9408 -7.9404 -7.7244 -7.7235 -7.7189 -7.7184 -2.9325 -2.9248 -2.8882 -2.8862 -1.4482 -1.4209 -1.2635 -1.2498 -1.2012 -1.1945 -0.4423 -0.4307 0.0093 0.0482 0.9774 0.9992 1.3375 1.3823 1.4414 1.4683 1.5133 1.5303 1.7517 1.8352 1.9628 2.0413 2.0673 2.1035 2.1579 2.2810 3.0236 3.0510 3.1870 3.1922 3.3533 3.3671 3.4435 3.4968 3.5179 3.5467 3.5949 3.6391 3.6499 3.6888 3.8082 3.8323 3.9846 3.9887 4.4305 4.4347 4.6832 4.6833 4.8154 4.8379 7.2505 7.3039 8.5945 8.6470 8.8818 8.9044 9.0663 9.1845 10.0163 10.0724 10.1229 10.1822 k = 0.0000 0.0769 0.4955 ( 10278 PWs) bands (ev): -8.2362 -8.2352 -7.9395 -7.9389 -7.7278 -7.7265 -7.7205 -7.7197 -2.9334 -2.9233 -2.8886 -2.8860 -1.4519 -1.4160 -1.2654 -1.2475 -1.2022 -1.1934 -0.4479 -0.4326 0.0062 0.0577 0.9739 1.0028 1.3068 1.3641 1.4268 1.4599 1.5218 1.5448 1.7490 1.8560 1.9487 2.0359 2.0699 2.1118 2.1726 2.3130 3.0064 3.0417 3.1719 3.1789 3.3451 3.3725 3.4523 3.5070 3.5210 3.5523 3.5936 3.6425 3.6493 3.6956 3.8143 3.8464 3.9876 3.9926 4.4374 4.4431 4.6752 4.6753 4.8055 4.8349 7.2376 7.3074 8.6054 8.6746 8.9060 8.9352 9.0672 9.2257 9.9779 10.0651 10.1310 10.1904 k = 0.0000 0.0962 0.4955 ( 10262 PWs) bands (ev): -8.2324 -8.2311 -7.9378 -7.9372 -7.7323 -7.7307 -7.7222 -7.7212 -2.9342 -2.9218 -2.8891 -2.8859 -1.4552 -1.4113 -1.2672 -1.2452 -1.2031 -1.1924 -0.4543 -0.4356 0.0041 0.0681 0.9702 1.0062 1.2747 1.3428 1.4100 1.4503 1.5299 1.5560 1.7502 1.8774 1.9368 2.0255 2.0738 2.1191 2.1977 2.3459 2.9851 3.0270 3.1548 3.1648 3.3378 3.3805 3.4629 3.5056 3.5348 3.5582 3.5942 3.6356 3.6582 3.7039 3.8231 3.8634 3.9921 3.9975 4.4459 4.4533 4.6637 4.6642 4.7956 4.8312 7.2235 7.3086 8.6216 8.7067 8.9383 8.9729 9.0735 9.2728 9.9361 10.0544 10.1426 10.1992 k = 0.0000 0.1154 0.4955 ( 10258 PWs) bands (ev): -8.2277 -8.2262 -7.9358 -7.9350 -7.7378 -7.7360 -7.7241 -7.7229 -2.9349 -2.9203 -2.8895 -2.8859 -1.4582 -1.4067 -1.2687 -1.2429 -1.2039 -1.1914 -0.4615 -0.4396 0.0033 0.0793 0.9662 1.0095 1.2423 1.3188 1.3910 1.4399 1.5376 1.5637 1.7549 1.8984 1.9277 2.0127 2.0787 2.1281 2.2273 2.3795 2.9594 3.0065 3.1370 3.1514 3.3320 3.3907 3.4739 3.5025 3.5487 3.5645 3.5956 3.6304 3.6650 3.7139 3.8348 3.8830 3.9984 4.0034 4.4556 4.4650 4.6486 4.6497 4.7865 4.8272 7.2084 7.3073 8.6426 8.7424 8.9786 9.0161 9.0861 9.3252 9.8928 10.0413 10.1569 10.2108 k = 0.0000 0.1346 0.4955 ( 10260 PWs) bands (ev): -8.2221 -8.2204 -7.9335 -7.9325 -7.7443 -7.7422 -7.7262 -7.7249 -2.9354 -2.9187 -2.8899 -2.8860 -1.4608 -1.4024 -1.2700 -1.2406 -1.2047 -1.1906 -0.4695 -0.4447 0.0037 0.0914 0.9613 1.0125 1.2105 1.2926 1.3704 1.4295 1.5450 1.5682 1.7621 1.9113 1.9289 1.9994 2.0843 2.1389 2.2589 2.4133 2.9294 2.9807 3.1192 3.1393 3.3278 3.4027 3.4848 3.4996 3.5603 3.5712 3.5960 3.6292 3.6698 3.7253 3.8495 3.9051 4.0066 4.0107 4.4658 4.4776 4.6299 4.6318 4.7786 4.8233 7.1920 7.3031 8.6681 8.7807 9.0268 9.0598 9.1095 9.3817 9.8498 10.0280 10.1736 10.2259 k = 0.0000 0.1538 0.4955 ( 10264 PWs) bands (ev): -8.2158 -8.2138 -7.9308 -7.9297 -7.7518 -7.7495 -7.7285 -7.7271 -2.9357 -2.9172 -2.8903 -2.8862 -1.4629 -1.3985 -1.2710 -1.2385 -1.2054 -1.1898 -0.4780 -0.4507 0.0055 0.1044 0.9550 1.0152 1.1806 1.2643 1.3486 1.4197 1.5520 1.5702 1.7710 1.9078 1.9480 1.9864 2.0903 2.1509 2.2914 2.4470 2.8955 2.9503 3.1019 3.1283 3.3251 3.4162 3.4953 3.4971 3.5686 3.5785 3.5941 3.6338 3.6728 3.7370 3.8673 3.9296 4.0171 4.0193 4.4749 4.4903 4.6092 4.6111 4.7719 4.8197 7.1743 7.2960 8.6976 8.8201 9.0826 9.0931 9.1539 9.4404 9.8102 10.0173 10.1923 10.2445 k = 0.0000 0.1731 0.4955 ( 10276 PWs) bands (ev): -8.2086 -8.2065 -7.9277 -7.9266 -7.7601 -7.7576 -7.7312 -7.7296 -2.9359 -2.9157 -2.8907 -2.8865 -1.4645 -1.3950 -1.2716 -1.2364 -1.2060 -1.1891 -0.4871 -0.4577 0.0087 0.1183 0.9459 1.0172 1.1540 1.2342 1.3260 1.4112 1.5588 1.5703 1.7806 1.9025 1.9698 1.9742 2.0963 2.1637 2.3242 2.4803 2.8584 2.9164 3.0852 3.1182 3.3238 3.4310 3.4950 3.5052 3.5714 3.5865 3.5938 3.6427 3.6747 3.7482 3.8884 3.9561 4.0297 4.0302 4.4804 4.5014 4.5894 4.5896 4.7659 4.8163 7.1555 7.2857 8.7303 8.8585 9.1192 9.1457 9.2163 9.4963 9.7793 10.0118 10.2127 10.2662 k = 0.0000 0.1923 0.4955 ( 10280 PWs) bands (ev): -8.2007 -8.1983 -7.9244 -7.9232 -7.7693 -7.7666 -7.7340 -7.7324 -2.9358 -2.9143 -2.8911 -2.8870 -1.4657 -1.3921 -1.2718 -1.2343 -1.2065 -1.1886 -0.4965 -0.4654 0.0135 0.1332 0.9328 1.0185 1.1324 1.2026 1.3031 1.4043 1.5656 1.5691 1.7902 1.8978 1.9630 1.9916 2.1021 2.1767 2.3568 2.5130 2.8189 2.8802 3.0691 3.1085 3.3236 3.4466 3.4935 3.5143 3.5674 3.5951 3.5985 3.6536 3.6759 3.7582 3.9126 3.9842 4.0423 4.0460 4.4773 4.5058 4.5723 4.5759 4.7604 4.8128 7.1355 7.2724 8.7655 8.8933 9.1467 9.2158 9.2887 9.5384 9.7688 10.0134 10.2343 10.2904 k = 0.0000 0.2115 0.4955 ( 10272 PWs) bands (ev): -8.1920 -8.1894 -7.9208 -7.9195 -7.7793 -7.7763 -7.7371 -7.7354 -2.9356 -2.9129 -2.8915 -2.8876 -1.4665 -1.3899 -1.2715 -1.2324 -1.2070 -1.1882 -0.5061 -0.4738 0.0200 0.1490 0.9144 1.0186 1.1172 1.1700 1.2801 1.3996 1.5673 1.5724 1.7991 1.8937 1.9529 2.0129 2.1074 2.1895 2.3890 2.5447 2.7777 2.8423 3.0535 3.0989 3.3245 3.4627 3.4927 3.5226 3.5601 3.6045 3.6062 3.6651 3.6767 3.7665 3.9399 4.0129 4.0576 4.0646 4.4614 4.4951 4.5680 4.5732 4.7549 4.8090 7.1145 7.2560 8.8022 8.9214 9.1792 9.2922 9.3683 9.5525 9.7937 10.0238 10.2566 10.3162 k = 0.0000 0.2308 0.4955 ( 10272 PWs) bands (ev): -8.1825 -8.1797 -7.9170 -7.9156 -7.7901 -7.7869 -7.7404 -7.7386 -2.9352 -2.9115 -2.8918 -2.8883 -1.4667 -1.3884 -1.2707 -1.2305 -1.2075 -1.1880 -0.5158 -0.4828 0.0281 0.1657 0.8904 1.0170 1.1088 1.1370 1.2577 1.3971 1.5651 1.5793 1.8071 1.8902 1.9435 2.0333 2.1118 2.2019 2.4205 2.5752 2.7358 2.8038 3.0385 3.0894 3.3263 3.4777 3.4936 3.5299 3.5523 3.6148 3.6151 3.6765 3.6774 3.7731 3.9696 4.0408 4.0769 4.0861 4.4353 4.4708 4.5754 4.5792 4.7489 4.8046 7.0927 7.2368 8.8390 8.9408 9.2185 9.3741 9.4541 9.5421 9.8512 10.0435 10.2787 10.3424 k = 0.0000 0.2500 0.4955 ( 10284 PWs) bands (ev): -8.1724 -8.1694 -7.9130 -7.9114 -7.8016 -7.7982 -7.7439 -7.7420 -2.9346 -2.9102 -2.8922 -2.8893 -1.4665 -1.3876 -1.2695 -1.2287 -1.2079 -1.1879 -0.5254 -0.4923 0.0379 0.1833 0.8617 1.0126 1.1049 1.1066 1.2360 1.3969 1.5632 1.5865 1.8139 1.8870 1.9350 2.0522 2.1153 2.2136 2.4513 2.6043 2.6941 2.7652 3.0237 3.0797 3.3288 3.4858 3.5008 3.5362 3.5455 3.6250 3.6260 3.6783 3.6874 3.7780 4.0013 4.0666 4.1008 4.1103 4.4038 4.4411 4.5871 4.5893 4.7421 4.7993 7.0703 7.2151 8.8745 8.9510 9.2646 9.4581 9.5254 9.5452 9.9266 10.0724 10.2996 10.3668 k = 0.0000 0.2692 0.4955 ( 10274 PWs) bands (ev): -8.1616 -8.1584 -7.9087 -7.9071 -7.8137 -7.8102 -7.7475 -7.7456 -2.9339 -2.9089 -2.8925 -2.8903 -1.4657 -1.3876 -1.2677 -1.2269 -1.2084 -1.1880 -0.5349 -0.5020 0.0496 0.2018 0.8295 1.0029 1.0765 1.1090 1.2157 1.3987 1.5621 1.5940 1.8194 1.8841 1.9268 2.0686 2.1183 2.2242 2.4810 2.6308 2.6543 2.7271 3.0094 3.0698 3.3321 3.4868 3.5110 3.5412 3.5433 3.6355 3.6381 3.6794 3.6976 3.7814 4.0338 4.0907 4.1278 4.1369 4.3703 4.4103 4.5994 4.6009 4.7345 4.7929 7.0477 7.1911 8.9065 8.9530 9.3161 9.4923 9.5637 9.6406 10.0098 10.1093 10.3183 10.3857 k = 0.0000 0.2885 0.4955 ( 10264 PWs) bands (ev): -8.1501 -8.1468 -7.9043 -7.9027 -7.8264 -7.8228 -7.7513 -7.7493 -2.9329 -2.9076 -2.8929 -2.8916 -1.4645 -1.3883 -1.2654 -1.2253 -1.2089 -1.1883 -0.5440 -0.5119 0.0630 0.2211 0.7952 0.9842 1.0559 1.1142 1.1977 1.4018 1.5623 1.6020 1.8236 1.8815 1.9190 2.0802 2.1224 2.2337 2.5097 2.6129 2.6590 2.6902 2.9954 3.0597 3.3360 3.4860 3.5135 3.5450 3.5514 3.6468 3.6510 3.6813 3.7070 3.7836 4.0657 4.1147 4.1544 4.1659 4.3374 4.3816 4.6111 4.6124 4.7257 4.7852 7.0252 7.1652 8.9330 8.9488 9.3714 9.4822 9.6559 9.7392 10.0953 10.1523 10.3342 10.3951 k = 0.0000 0.3077 0.4955 ( 10260 PWs) bands (ev): -8.1381 -8.1346 -7.8999 -7.8982 -7.8397 -7.8359 -7.7552 -7.7532 -2.9318 -2.9065 -2.8933 -2.8929 -1.4629 -1.3898 -1.2628 -1.2237 -1.2094 -1.1887 -0.5526 -0.5217 0.0782 0.2411 0.7597 0.9561 1.0437 1.1195 1.1841 1.4055 1.5648 1.6104 1.8265 1.8790 1.9112 2.0834 2.1306 2.2418 2.5374 2.5770 2.6548 2.6826 2.9819 3.0495 3.3404 3.4837 3.5108 3.5475 3.5664 3.6588 3.6637 3.6849 3.7156 3.7848 4.0942 4.1392 4.1754 4.1967 4.3079 4.3594 4.6213 4.6229 4.7157 4.7760 7.0033 7.1381 8.9402 8.9518 9.4285 9.4786 9.7527 9.8391 10.1772 10.1988 10.3497 10.3947 k = 0.0000 0.3269 0.4955 ( 10254 PWs) bands (ev): -8.1255 -8.1218 -7.8953 -7.8936 -7.8535 -7.8496 -7.7592 -7.7572 -2.9305 -2.9054 -2.8945 -2.8936 -1.4608 -1.3919 -1.2598 -1.2222 -1.2099 -1.1893 -0.5605 -0.5314 0.0951 0.2616 0.7241 0.9225 1.0366 1.1203 1.1788 1.4086 1.5704 1.6195 1.8280 1.8766 1.9033 2.0776 2.1428 2.2486 2.5444 2.5639 2.6216 2.7045 2.9690 3.0390 3.3454 3.4793 3.5083 3.5488 3.5833 3.6718 3.6736 3.6928 3.7234 3.7853 4.1142 4.1628 4.1862 4.2291 4.2872 4.3499 4.6297 4.6316 4.7047 4.7652 6.9825 7.1101 8.9290 8.9617 9.4855 9.4859 9.8486 9.9367 10.2456 10.2471 10.3726 10.3909 k = 0.0000 0.3462 0.4955 ( 10258 PWs) bands (ev): -8.1123 -8.1086 -7.8908 -7.8891 -7.8677 -7.8637 -7.7631 -7.7612 -2.9290 -2.9043 -2.8962 -2.8940 -1.4584 -1.3945 -1.2566 -1.2209 -1.2104 -1.1901 -0.5678 -0.5407 0.1138 0.2823 0.6891 0.8863 1.0320 1.1136 1.1843 1.4101 1.5799 1.6291 1.8282 1.8742 1.8953 2.0646 2.1565 2.2539 2.5162 2.5885 2.5914 2.7240 2.9569 3.0284 3.3508 3.4730 3.5074 3.5490 3.6002 3.6788 3.6859 3.7066 3.7305 3.7855 4.1181 4.1673 4.2005 4.2627 4.2826 4.3569 4.6357 4.6376 4.6932 4.7528 6.9631 7.0818 8.9167 8.9629 9.5032 9.5420 9.9384 10.0256 10.2891 10.2965 10.3943 10.4126 k = 0.0000 0.3654 0.4955 ( 10244 PWs) bands (ev): -8.0988 -8.0949 -7.8863 -7.8847 -7.8823 -7.8781 -7.7670 -7.7651 -2.9274 -2.9033 -2.8980 -2.8944 -1.4555 -1.3977 -1.2533 -1.2201 -1.2106 -1.1911 -0.5742 -0.5496 0.1340 0.3024 0.6557 0.8492 1.0287 1.1025 1.1973 1.4091 1.5939 1.6394 1.8267 1.8719 1.8874 2.0459 2.1705 2.2577 2.4928 2.5627 2.6134 2.7409 2.9461 3.0177 3.3567 3.4654 3.5080 3.5481 3.6161 3.6817 3.7011 3.7233 3.7373 3.7861 4.1039 4.1471 4.2278 4.2949 4.2976 4.3761 4.6392 4.6395 4.6823 4.7388 6.9457 7.0539 8.9044 8.9571 9.5298 9.5954 10.0141 10.0945 10.3262 10.3369 10.4178 10.4614 k = 0.0000 0.3846 0.4955 ( 10252 PWs) bands (ev): -8.0848 -8.0808 -7.8972 -7.8930 -7.8820 -7.8804 -7.7707 -7.7689 -2.9256 -2.9024 -2.8999 -2.8948 -1.4523 -1.4013 -1.2498 -1.2198 -1.2104 -1.1922 -0.5796 -0.5579 0.1559 0.3212 0.6252 0.8119 1.0264 1.0901 1.2141 1.4052 1.6121 1.6504 1.8234 1.8696 1.8803 2.0223 2.1839 2.2600 2.4745 2.5376 2.6364 2.7545 2.9370 3.0068 3.3629 3.4571 3.5095 3.5465 3.6305 3.6837 3.7170 3.7399 3.7448 3.7886 4.0782 4.1182 4.2576 4.3192 4.3314 4.4009 4.6354 4.6399 4.6740 4.7233 6.9308 7.0269 8.8931 8.9464 9.5628 9.6442 10.0673 10.1338 10.3547 10.3882 10.4703 10.5005 k = 0.0000 0.4038 0.4955 ( 10252 PWs) bands (ev): -8.0705 -8.0664 -7.9123 -7.9080 -7.8780 -7.8765 -7.7742 -7.7726 -2.9237 -2.9020 -2.9014 -2.8952 -1.4487 -1.4052 -1.2463 -1.2203 -1.2096 -1.1935 -0.5840 -0.5654 0.1791 0.3369 0.5995 0.7749 1.0251 1.0781 1.2328 1.3984 1.6340 1.6620 1.8179 1.8672 1.8744 1.9946 2.1965 2.2609 2.4610 2.5156 2.6582 2.7643 2.9303 2.9959 3.3694 3.4486 3.5117 3.5442 3.6431 3.6851 3.7310 3.7528 3.7558 3.7963 4.0472 4.0859 4.2882 4.3470 4.3650 4.4266 4.6249 4.6376 4.6689 4.7067 6.9189 7.0013 8.8835 8.9330 9.5994 9.6869 10.0972 10.1478 10.3736 10.4541 10.5199 10.5446 k = 0.0000 0.4231 0.4955 ( 10254 PWs) bands (ev): -8.0559 -8.0518 -7.9275 -7.9232 -7.8744 -7.8731 -7.7773 -7.7759 -2.9217 -2.9040 -2.9006 -2.8957 -1.4449 -1.4094 -1.2428 -1.2215 -1.2084 -1.1950 -0.5874 -0.5722 0.2035 0.3471 0.5812 0.7388 1.0247 1.0670 1.2526 1.3890 1.6585 1.6742 1.8106 1.8647 1.8703 1.9641 2.2083 2.2603 2.4519 2.4966 2.6787 2.7696 2.9267 2.9850 3.3763 3.4399 3.5144 3.5414 3.6538 3.6858 3.7399 3.7589 3.7734 3.8121 4.0143 4.0523 4.3187 4.3745 4.3971 4.4506 4.6111 4.6324 4.6650 4.6897 6.9102 6.9778 8.8761 8.9187 9.6371 9.7215 10.1112 10.1482 10.3854 10.5100 10.5334 10.6202 k = 0.0000 0.4423 0.4955 ( 10260 PWs) bands (ev): -8.0413 -8.0372 -7.9426 -7.9383 -7.8713 -7.8702 -7.7799 -7.7788 -2.9196 -2.9062 -2.8998 -2.8961 -1.4408 -1.4138 -1.2395 -1.2231 -1.2069 -1.1965 -0.5896 -0.5780 0.2287 0.3490 0.5732 0.7039 1.0255 1.0570 1.2727 1.3772 1.6838 1.6867 1.8032 1.8616 1.8680 1.9323 2.2190 2.2583 2.4467 2.4808 2.6979 2.7700 2.9267 2.9741 3.3835 3.4314 3.5174 3.5382 3.6627 3.6858 3.7453 3.7602 3.7963 3.8341 3.9810 4.0187 4.3482 4.3986 4.4266 4.4706 4.5973 4.6243 4.6608 4.6736 6.9052 6.9568 8.8714 8.9050 9.6734 9.7463 10.1172 10.1431 10.3940 10.4987 10.5927 10.6740 k = 0.0000 0.4615 0.4955 ( 10240 PWs) bands (ev): -8.0268 -8.0229 -7.9572 -7.9532 -7.8688 -7.8681 -7.7818 -7.7810 -2.9174 -2.9084 -2.8991 -2.8966 -1.4365 -1.4184 -1.2362 -1.2252 -1.2052 -1.1981 -0.5906 -0.5827 0.2545 0.3414 0.5769 0.6707 1.0275 1.0484 1.2926 1.3634 1.6992 1.7062 1.7990 1.8564 1.8672 1.9020 2.2286 2.2550 2.4449 2.4679 2.7157 2.7657 2.9299 2.9636 3.3909 3.4229 3.5207 3.5348 3.6700 3.6850 3.7492 3.7593 3.8221 3.8590 3.9487 3.9856 4.3756 4.4158 4.4523 4.4844 4.5871 4.6135 4.6562 4.6604 6.9040 6.9389 8.8696 8.8927 9.7062 9.7599 10.1202 10.1367 10.4035 10.4771 10.6414 10.6980 k = 0.0000 0.4808 0.4955 ( 10230 PWs) bands (ev): -8.0134 -8.0102 -7.9700 -7.9668 -7.8672 -7.8668 -7.7830 -7.7825 -2.9152 -2.9107 -2.8984 -2.8972 -1.4321 -1.4229 -1.2331 -1.2276 -1.2034 -1.1999 -0.5904 -0.5864 0.2800 0.3256 0.5910 0.6400 1.0307 1.0411 1.3120 1.3477 1.7106 1.7191 1.8047 1.8440 1.8679 1.8800 2.2371 2.2503 2.4464 2.4579 2.7318 2.7574 2.9360 2.9534 3.3986 3.4146 3.5241 3.5313 3.6757 3.6831 3.7524 3.7574 3.8496 3.8825 3.9209 3.9538 4.3990 4.4221 4.4726 4.4898 4.5841 4.6010 4.6520 4.6523 6.9068 6.9244 8.8709 8.8827 9.7332 9.7618 10.1228 10.1308 10.4163 10.4543 10.6748 10.7030 k = 0.0000 0.5000 0.4955 ( 10248 PWs) bands (ev): -8.0052 -8.0052 -7.9751 -7.9751 -7.8665 -7.8665 -7.7832 -7.7832 -2.9130 -2.9130 -2.8978 -2.8978 -1.4275 -1.4275 -1.2302 -1.2302 -1.2016 -1.2016 -0.5890 -0.5890 0.3043 0.3043 0.6129 0.6129 1.0352 1.0352 1.3305 1.3305 1.7189 1.7189 1.8227 1.8227 1.8710 1.8710 2.2443 2.2443 2.4507 2.4507 2.7458 2.7458 2.9441 2.9441 3.4065 3.4065 3.5277 3.5277 3.6800 3.6800 3.7551 3.7551 3.8765 3.8765 3.9254 3.9254 4.4158 4.4158 4.4857 4.4857 4.5898 4.5898 4.6499 4.6499 6.9136 6.9136 8.8753 8.8753 9.7524 9.7524 10.1261 10.1261 10.4334 10.4334 10.6950 10.6950 k = 0.0000 0.5000 0.4955 ( 10248 PWs) bands (ev): -8.0052 -8.0052 -7.9751 -7.9751 -7.8665 -7.8665 -7.7832 -7.7832 -2.9130 -2.9130 -2.8978 -2.8978 -1.4275 -1.4275 -1.2302 -1.2302 -1.2016 -1.2016 -0.5890 -0.5890 0.3043 0.3043 0.6129 0.6129 1.0352 1.0352 1.3305 1.3305 1.7189 1.7189 1.8227 1.8227 1.8710 1.8710 2.2443 2.2443 2.4507 2.4507 2.7458 2.7458 2.9441 2.9441 3.4065 3.4065 3.5277 3.5277 3.6800 3.6800 3.7551 3.7551 3.8765 3.8765 3.9254 3.9254 4.4158 4.4158 4.4857 4.4857 4.5898 4.5898 4.6499 4.6499 6.9136 6.9136 8.8753 8.8753 9.7524 9.7524 10.1261 10.1261 10.4334 10.4334 10.6950 10.6950 k = 0.0192 0.5000 0.4955 ( 10248 PWs) bands (ev): -8.0051 -8.0049 -7.9751 -7.9748 -7.8667 -7.8665 -7.7835 -7.7832 -2.9134 -2.9124 -2.8987 -2.8968 -1.4286 -1.4261 -1.2308 -1.2293 -1.2025 -1.2007 -0.5911 -0.5902 0.3018 0.3025 0.5876 0.6275 1.0091 1.0696 1.3286 1.3321 1.7166 1.7239 1.8155 1.8212 1.8648 1.8905 2.2379 2.2516 2.4489 2.4534 2.7431 2.7499 2.9387 2.9494 3.4044 3.4075 3.5272 3.5298 3.6791 3.6817 3.7538 3.7588 3.8777 3.8782 3.9234 3.9305 4.4141 4.4154 4.4843 4.4904 4.5847 4.5936 4.6470 4.6544 6.9091 6.9107 8.8716 8.8719 9.7228 9.7369 10.1312 10.1489 10.4142 10.4183 10.6903 10.7186 k = 0.0385 0.5000 0.4955 ( 10256 PWs) bands (ev): -8.0047 -8.0044 -7.9748 -7.9742 -7.8670 -7.8667 -7.7840 -7.7833 -2.9136 -2.9116 -2.8994 -2.8957 -1.4293 -1.4243 -1.2311 -1.2281 -1.2032 -1.1996 -0.5966 -0.5948 0.2951 0.2965 0.5551 0.6285 0.9943 1.1088 1.3266 1.3335 1.7169 1.7309 1.8078 1.8089 1.8757 1.9139 2.2325 2.2596 2.4482 2.4568 2.7421 2.7548 2.9340 2.9543 3.4018 3.4070 3.5288 3.5330 3.6791 3.6843 3.7551 3.7650 3.8818 3.8823 3.9252 3.9382 4.4113 4.4126 4.4867 4.4976 4.5789 4.5957 4.6462 4.6598 6.8971 6.9002 8.8606 8.8612 9.6600 9.6813 10.1599 10.1879 10.3697 10.3783 10.7023 10.7039 k = 0.0577 0.5000 0.4955 ( 10252 PWs) bands (ev): -8.0040 -8.0035 -7.9743 -7.9733 -7.8675 -7.8670 -7.7847 -7.7837 -2.9137 -2.9106 -2.9000 -2.8945 -1.4295 -1.4221 -1.2311 -1.2267 -1.2038 -1.1984 -0.6054 -0.6025 0.2843 0.2866 0.5179 0.6148 0.9914 1.1499 1.3245 1.3350 1.7193 1.7376 1.7950 1.8063 1.8934 1.9379 2.2283 2.2682 2.4490 2.4608 2.7430 2.7601 2.9304 2.9585 3.3990 3.4049 3.5324 3.5366 3.6800 3.6880 3.7593 3.7737 3.8863 3.8908 3.9312 3.9480 4.4080 4.4080 4.4922 4.5065 4.5730 4.5956 4.6478 4.6658 6.8777 6.8825 8.8422 8.8432 9.5776 9.6006 10.1987 10.2307 10.3150 10.3271 10.6913 10.7201 k = 0.0769 0.5000 0.4955 ( 10260 PWs) bands (ev): -8.0029 -8.0023 -7.9734 -7.9722 -7.8682 -7.8676 -7.7857 -7.7844 -2.9136 -2.9095 -2.9005 -2.8933 -1.4293 -1.4196 -1.2308 -1.2251 -1.2043 -1.1971 -0.6172 -0.6132 0.2699 0.2729 0.4777 0.5883 0.9982 1.1899 1.3234 1.3367 1.7230 1.7383 1.7926 1.8088 1.9135 1.9616 2.2255 2.2775 2.4514 2.4657 2.7458 2.7649 2.9285 2.9617 3.3963 3.4014 3.5374 3.5399 3.6819 3.6929 3.7664 3.7851 3.8913 3.9032 3.9415 3.9597 4.4024 4.4050 4.5002 4.5165 4.5671 4.5938 4.6517 4.6720 6.8513 6.8577 8.8161 8.8178 9.4837 9.5057 10.2373 10.2576 10.2735 10.2751 10.6823 10.7369 k = 0.0962 0.5000 0.4955 ( 10272 PWs) bands (ev): -8.0016 -8.0008 -7.9722 -7.9707 -7.8690 -7.8683 -7.7869 -7.7852 -2.9133 -2.9083 -2.9008 -2.8920 -1.4286 -1.4168 -1.2301 -1.2232 -1.2048 -1.1956 -0.6319 -0.6267 0.2522 0.2560 0.4357 0.5527 1.0105 1.2243 1.3259 1.3394 1.7278 1.7313 1.8033 1.8166 1.9343 1.9842 2.2244 2.2873 2.4559 2.4714 2.7506 2.7689 2.9289 2.9639 3.3939 3.3968 3.5427 3.5432 3.6851 3.6992 3.7768 3.7993 3.8970 3.9195 3.9557 3.9730 4.3964 4.4025 4.5100 4.5269 4.5615 4.5910 4.6572 4.6785 6.8181 6.8261 8.7823 8.7850 9.3829 9.4026 10.2074 10.2193 10.2800 10.3095 10.6745 10.7487 k = 0.1154 0.5000 0.4955 ( 10260 PWs) bands (ev): -7.9999 -7.9989 -7.9708 -7.9690 -7.8701 -7.8691 -7.7882 -7.7863 -2.9128 -2.9069 -2.9010 -2.8906 -1.4275 -1.4136 -1.2290 -1.2211 -1.2052 -1.1940 -0.6492 -0.6427 0.2316 0.2362 0.3930 0.5112 1.0241 1.2457 1.3382 1.3439 1.7223 1.7335 1.8219 1.8290 1.9548 2.0052 2.2253 2.2976 2.4628 2.4783 2.7571 2.7716 2.9317 2.9651 3.3917 3.3917 3.5445 3.5487 3.6896 3.7072 3.7904 3.8164 3.9037 3.9392 3.9729 3.9874 4.3908 4.4010 4.5208 4.5371 4.5567 4.5885 4.6637 4.6850 6.7786 6.7883 8.7409 8.7448 9.2779 9.2949 10.1627 10.1742 10.3141 10.3430 10.6654 10.7520 k = 0.1346 0.5000 0.4955 ( 10268 PWs) bands (ev): -7.9979 -7.9968 -7.9691 -7.9671 -7.8713 -7.8702 -7.7898 -7.7876 -2.9121 -2.9055 -2.9009 -2.8892 -1.4259 -1.4103 -1.2276 -1.2189 -1.2055 -1.1922 -0.6687 -0.6608 0.2086 0.2141 0.3500 0.4664 1.0361 1.2499 1.3509 1.3635 1.7149 1.7403 1.8443 1.8451 1.9742 2.0242 2.2286 2.3087 2.4723 2.4867 2.7651 2.7728 2.9367 2.9653 3.3865 3.3899 3.5454 3.5534 3.6959 3.7172 3.8069 3.8364 3.9120 3.9619 3.9926 4.0027 4.3860 4.4004 4.5317 4.5459 4.5534 4.5876 4.6708 4.6915 6.7332 6.7446 8.6923 8.6977 9.1705 9.1845 10.1256 10.1350 10.3455 10.3736 10.6524 10.7442 k = 0.1538 0.5000 0.4955 ( 10276 PWs) bands (ev): -7.9957 -7.9945 -7.9672 -7.9649 -7.8726 -7.8714 -7.7916 -7.7891 -2.9113 -2.9040 -2.9007 -2.8878 -1.4239 -1.4066 -1.2259 -1.2165 -1.2058 -1.1903 -0.6901 -0.6807 0.1838 0.1902 0.3075 0.4199 1.0445 1.2425 1.3611 1.3958 1.7105 1.7484 1.8636 1.8689 1.9917 2.0410 2.2345 2.3205 2.4846 2.4968 2.7728 2.7743 2.9437 2.9646 3.3817 3.3883 3.5451 3.5567 3.7039 3.7295 3.8257 3.8591 3.9222 3.9872 4.0143 4.0185 4.3827 4.4011 4.5389 4.5516 4.5554 4.5904 4.6784 4.6979 6.6824 6.6956 8.6371 8.6441 9.0621 9.0731 10.0967 10.1028 10.3736 10.4015 10.6334 10.7235 k = 0.1731 0.5000 0.4955 ( 10272 PWs) bands (ev): -7.9932 -7.9918 -7.9650 -7.9624 -7.8742 -7.8728 -7.7935 -7.7908 -2.9103 -2.9026 -2.9002 -2.8864 -1.4214 -1.4027 -1.2238 -1.2140 -1.2060 -1.1883 -0.7130 -0.7020 0.1576 0.1649 0.2656 0.3728 1.0482 1.2286 1.3748 1.4297 1.7093 1.7575 1.8834 1.8945 2.0067 2.0554 2.2434 2.3334 2.4995 2.5091 2.7720 2.7843 2.9517 2.9631 3.3776 3.3870 3.5439 3.5585 3.7139 3.7442 3.8457 3.8839 3.9351 4.0141 4.0346 4.0375 4.3812 4.4030 4.5394 4.5532 4.5657 4.5979 4.6863 4.7043 6.6268 6.6419 8.5763 8.5851 8.9538 8.9619 10.0755 10.0775 10.3982 10.4264 10.6065 10.6911 k = 0.1923 0.5000 0.4955 ( 10244 PWs) bands (ev): -7.9904 -7.9889 -7.9626 -7.9598 -7.8759 -7.8744 -7.7956 -7.7927 -2.9092 -2.9014 -2.8991 -2.8850 -1.4184 -1.3986 -1.2214 -1.2114 -1.2062 -1.1863 -0.7371 -0.7244 0.1304 0.1388 0.2249 0.3259 1.0474 1.2110 1.3916 1.4625 1.7110 1.7676 1.9036 1.9202 2.0191 2.0673 2.2552 2.3475 2.5168 2.5237 2.7705 2.7948 2.9600 2.9610 3.3746 3.3859 3.5419 3.5587 3.7260 3.7614 3.8655 3.9105 3.9515 4.0402 4.0526 4.0618 4.3823 4.4064 4.5382 4.5521 4.5793 4.6090 4.6943 4.7106 6.5671 6.5840 8.5110 8.5217 8.8463 8.8516 10.0582 10.0613 10.4184 10.4463 10.5719 10.6516 k = 0.2115 0.5000 0.4955 ( 10232 PWs) bands (ev): -7.9874 -7.9858 -7.9600 -7.9570 -7.8778 -7.8762 -7.7979 -7.7947 -2.9079 -2.9006 -2.8977 -2.8837 -1.4149 -1.3943 -1.2187 -1.2087 -1.2063 -1.1841 -0.7620 -0.7476 0.1028 0.1122 0.1856 0.2798 1.0425 1.1909 1.4109 1.4935 1.7153 1.7782 1.9235 1.9452 2.0289 2.0768 2.2699 2.3631 2.5363 2.5406 2.7689 2.8053 2.9584 2.9679 3.3729 3.3853 3.5391 3.5574 3.7404 3.7811 3.8840 3.9381 3.9717 4.0582 4.0783 4.0868 4.3863 4.4113 4.5375 4.5499 4.5940 4.6219 4.7025 4.7169 6.5037 6.5226 8.4424 8.4549 8.7406 8.7431 10.0441 10.0530 10.4306 10.4549 10.5338 10.6152 k = 0.2308 0.5000 0.4955 ( 10236 PWs) bands (ev): -7.9841 -7.9824 -7.9573 -7.9541 -7.8799 -7.8781 -7.8003 -7.7970 -2.9066 -2.8998 -2.8960 -2.8824 -1.4110 -1.3898 -1.2160 -1.2061 -1.2060 -1.1819 -0.7874 -0.7712 0.0751 0.0857 0.1480 0.2349 1.0346 1.1692 1.4318 1.5220 1.7216 1.7891 1.9424 1.9685 2.0365 2.0840 2.2872 2.3802 2.5576 2.5598 2.7672 2.8155 2.9552 2.9747 3.3725 3.3850 3.5357 3.5548 3.7570 3.8030 3.9010 3.9662 3.9953 4.0707 4.1085 4.1121 4.3938 4.4178 4.5379 4.5476 4.6093 4.6358 4.7108 4.7230 6.4375 6.4583 8.3717 8.3859 8.6371 8.6372 10.0340 10.0493 10.4233 10.4404 10.5058 10.5969 k = 0.2500 0.5000 0.4955 ( 10244 PWs) bands (ev): -7.9807 -7.9789 -7.9544 -7.9510 -7.8821 -7.8803 -7.8028 -7.7993 -2.9052 -2.8991 -2.8942 -2.8813 -1.4067 -1.3852 -1.2135 -1.2055 -1.2032 -1.1797 -0.8129 -0.7950 0.0477 0.0595 0.1122 0.1915 1.0245 1.1466 1.4536 1.5479 1.7295 1.7999 1.9598 1.9896 2.0422 2.0891 2.3069 2.3990 2.5800 2.5810 2.7658 2.8250 2.9517 2.9799 3.3735 3.3852 3.5317 3.5511 3.7760 3.8264 3.9175 3.9940 4.0212 4.0804 4.1373 4.1394 4.4049 4.4260 4.5399 4.5457 4.6250 4.6503 4.7193 4.7292 6.3691 6.3919 8.3001 8.3160 8.5343 8.5369 10.0264 10.0488 10.3874 10.4013 10.4999 10.6008 k = 0.2692 0.5000 0.4955 ( 10232 PWs) bands (ev): -7.9771 -7.9751 -7.9513 -7.9479 -7.8846 -7.8826 -7.8054 -7.8018 -2.9037 -2.8982 -2.8924 -2.8802 -1.4020 -1.3804 -1.2119 -1.2038 -1.2004 -1.1776 -0.8381 -0.8186 0.0209 0.0341 0.0785 0.1500 1.0131 1.1236 1.4755 1.5712 1.7386 1.8103 1.9757 2.0077 2.0467 2.0924 2.3286 2.4191 2.6032 2.6038 2.7649 2.8335 2.9480 2.9832 3.3760 3.3859 3.5274 3.5463 3.7973 3.8502 3.9351 4.0204 4.0477 4.0883 4.1622 4.1699 4.4196 4.4360 4.5434 4.5446 4.6409 4.6651 4.7279 4.7353 6.2992 6.3240 8.2286 8.2460 8.4354 8.4404 10.0200 10.0498 10.3386 10.3507 10.5036 10.6148 k = 0.2885 0.5000 0.4955 ( 10224 PWs) bands (ev): -7.9733 -7.9713 -7.9482 -7.9447 -7.8872 -7.8851 -7.8080 -7.8044 -2.9022 -2.8973 -2.8906 -2.8792 -1.3970 -1.3755 -1.2112 -1.2009 -1.1976 -1.1755 -0.8628 -0.8418 -0.0048 0.0097 0.0470 0.1106 1.0010 1.1007 1.4971 1.5918 1.7484 1.8202 1.9898 2.0226 2.0507 2.0940 2.3518 2.4403 2.6266 2.6277 2.7645 2.8406 2.9440 2.9845 3.3796 3.3873 3.5226 3.5407 3.8206 3.8725 3.9560 4.0434 4.0734 4.0962 4.1864 4.1991 4.4375 4.4478 4.5444 4.5486 4.6569 4.6798 4.7367 4.7415 6.2287 6.2553 8.1582 8.1771 8.3410 8.3482 10.0132 10.0502 10.2886 10.2985 10.5086 10.6261 k = 0.3077 0.5000 0.4955 ( 10220 PWs) bands (ev): -7.9693 -7.9672 -7.9451 -7.9415 -7.8900 -7.8878 -7.8107 -7.8070 -2.9006 -2.8964 -2.8888 -2.8783 -1.3916 -1.3705 -1.2112 -1.1973 -1.1950 -1.1736 -0.8866 -0.8643 -0.0292 -0.0134 0.0179 0.0734 0.9890 1.0784 1.5180 1.6096 1.7588 1.8292 2.0022 2.0339 2.0547 2.0943 2.3762 2.4621 2.6495 2.6522 2.7649 2.8461 2.9398 2.9837 3.3843 3.3893 3.5175 3.5344 3.8458 3.8915 3.9818 4.0596 4.0970 4.1075 4.2093 4.2266 4.4579 4.4613 4.5455 4.5556 4.6729 4.6944 4.7456 4.7478 6.1584 6.1866 8.0900 8.1100 8.2519 8.2611 10.0047 10.0474 10.2419 10.2504 10.5137 10.6234 k = 0.3269 0.5000 0.4955 ( 10212 PWs) bands (ev): -7.9653 -7.9631 -7.9419 -7.9383 -7.8929 -7.8906 -7.8133 -7.8097 -2.8991 -2.8955 -2.8872 -2.8775 -1.3860 -1.3656 -1.2114 -1.1933 -1.1926 -1.1719 -0.9091 -0.8859 -0.0518 -0.0350 -0.0087 0.0388 0.9774 1.0570 1.5379 1.6249 1.7693 1.8371 2.0131 2.0414 2.0592 2.0935 2.4011 2.4841 2.6712 2.6767 2.7667 2.8497 2.9355 2.9809 3.3899 3.3921 3.5122 3.5273 3.8723 3.9069 4.0125 4.0667 4.1176 4.1245 4.2307 4.2516 4.4765 4.4800 4.5478 4.5639 4.6887 4.7086 4.7544 4.7546 6.0892 6.1189 8.0248 8.0455 8.1689 8.1796 9.9928 10.0382 10.2015 10.2107 10.5188 10.6098 k = 0.3462 0.5000 0.4955 ( 10212 PWs) bands (ev): -7.9611 -7.9589 -7.9388 -7.9353 -7.8960 -7.8936 -7.8159 -7.8124 -2.8976 -2.8945 -2.8856 -2.8769 -1.3802 -1.3607 -1.2116 -1.1905 -1.1892 -1.1703 -0.9301 -0.9063 -0.0726 -0.0548 -0.0328 0.0068 0.9665 1.0367 1.5567 1.6375 1.7799 1.8439 2.0225 2.0460 2.0640 2.0919 2.4261 2.5055 2.6908 2.7007 2.7705 2.8515 2.9311 2.9761 3.3956 3.3962 3.5066 3.5198 3.8997 3.9194 4.0466 4.0677 4.1352 4.1447 4.2499 4.2738 4.4929 4.5027 4.5516 4.5732 4.7041 4.7222 4.7612 4.7636 6.0221 6.0528 7.9635 7.9844 8.0926 8.1046 9.9767 10.0203 10.1692 10.1822 10.5244 10.5946 k = 0.3654 0.5000 0.4955 ( 10212 PWs) bands (ev): -7.9569 -7.9546 -7.9358 -7.9324 -7.8993 -7.8968 -7.8183 -7.8150 -2.8962 -2.8936 -2.8841 -2.8765 -1.3743 -1.3560 -1.2119 -1.1890 -1.1850 -1.1689 -0.9492 -0.9255 -0.0910 -0.0726 -0.0543 -0.0224 0.9569 1.0178 1.5742 1.6476 1.7904 1.8494 2.0308 2.0491 2.0681 2.0897 2.4507 2.5256 2.7072 2.7237 2.7771 2.8516 2.9265 2.9697 3.3999 3.4030 3.5007 3.5117 3.9269 3.9301 4.0660 4.0812 4.1504 4.1654 4.2663 4.2929 4.5100 4.5251 4.5568 4.5829 4.7191 4.7351 4.7684 4.7724 5.9584 5.9895 7.9069 7.9273 8.0241 8.0365 9.9566 9.9947 10.1453 10.1640 10.5306 10.5816 k = 0.3846 0.5000 0.4955 ( 10208 PWs) bands (ev): -7.9526 -7.9503 -7.9329 -7.9297 -7.9028 -7.9002 -7.8206 -7.8175 -2.8949 -2.8928 -2.8827 -2.8761 -1.3685 -1.3517 -1.2119 -1.1882 -1.1810 -1.1675 -0.9660 -0.9431 -0.1069 -0.0883 -0.0732 -0.0486 0.9486 1.0005 1.5903 1.6552 1.8006 1.8534 2.0380 2.0515 2.0711 2.0869 2.4743 2.5437 2.7200 2.7450 2.7872 2.8505 2.9214 2.9616 3.4050 3.4100 3.4946 3.5032 3.9397 3.9529 4.0635 4.1120 4.1662 4.1852 4.2795 4.3088 4.5271 4.5461 4.5634 4.5920 4.7334 4.7472 4.7758 4.7808 5.8994 5.9300 7.8557 7.8749 7.9639 7.9761 9.9342 9.9653 10.1291 10.1524 10.5371 10.5720 k = 0.4038 0.5000 0.4955 ( 10196 PWs) bands (ev): -7.9483 -7.9459 -7.9303 -7.9273 -7.9063 -7.9037 -7.8226 -7.8199 -2.8937 -2.8920 -2.8815 -2.8759 -1.3628 -1.3478 -1.2115 -1.1884 -1.1771 -1.1663 -0.9803 -0.9590 -0.1201 -0.1017 -0.0894 -0.0717 0.9419 0.9850 1.6050 1.6605 1.8103 1.8561 2.0443 2.0537 2.0729 2.0839 2.4965 2.5590 2.7297 2.7635 2.8003 2.8490 2.9159 2.9522 3.4108 3.4173 3.4884 3.4945 3.9487 3.9755 4.0624 4.1321 4.1878 4.2037 4.2893 4.3212 4.5434 4.5647 4.5714 4.5998 4.7469 4.7582 4.7832 4.7885 5.8464 5.8754 7.8109 7.8280 7.9127 7.9239 9.9117 9.9362 10.1186 10.1441 10.5435 10.5656 k = 0.4231 0.5000 0.4955 ( 10184 PWs) bands (ev): -7.9439 -7.9416 -7.9279 -7.9252 -7.9100 -7.9073 -7.8243 -7.8220 -2.8927 -2.8914 -2.8804 -2.8759 -1.3575 -1.3447 -1.2107 -1.1896 -1.1736 -1.1652 -0.9918 -0.9731 -0.1303 -0.1128 -0.1028 -0.0914 0.9370 0.9714 1.6182 1.6635 1.8195 1.8572 2.0499 2.0559 2.0737 2.0807 2.5169 2.5707 2.7379 2.7777 2.8150 2.8491 2.9095 2.9415 3.4174 3.4247 3.4819 3.4855 3.9572 3.9917 4.0655 4.1402 4.2152 4.2207 4.2959 4.3300 4.5581 4.5801 4.5804 4.6058 4.7590 4.7679 4.7903 4.7951 5.8010 5.8270 7.7732 7.7876 7.8707 7.8803 9.8913 9.9099 10.1125 10.1369 10.5493 10.5620 k = 0.4423 0.5000 0.4955 ( 10180 PWs) bands (ev): -7.9396 -7.9374 -7.9260 -7.9236 -7.9138 -7.9109 -7.8257 -7.8238 -2.8918 -2.8909 -2.8794 -2.8760 -1.3526 -1.3425 -1.2093 -1.1917 -1.1705 -1.1643 -1.0001 -0.9850 -0.1375 -0.1215 -0.1135 -0.1077 0.9340 0.9597 1.6298 1.6644 1.8280 1.8569 2.0548 2.0582 2.0734 2.0775 2.5352 2.5781 2.7459 2.7852 2.8301 2.8531 2.9022 2.9298 3.4245 3.4321 3.4752 3.4764 3.9655 3.9991 4.0749 4.1407 4.2359 4.2419 4.3003 4.3350 4.5705 4.5900 4.5913 4.6098 4.7695 4.7759 4.7966 4.8005 5.7648 5.7862 7.7433 7.7544 7.8383 7.8458 9.8747 9.8880 10.1096 10.1303 10.5541 10.5605 k = 0.4615 0.5000 0.4955 ( 10172 PWs) bands (ev): -7.9354 -7.9333 -7.9245 -7.9224 -7.9176 -7.9146 -7.8266 -7.8253 -2.8912 -2.8905 -2.8785 -2.8762 -1.3483 -1.3413 -1.2073 -1.1946 -1.1679 -1.1638 -1.0053 -0.9946 -0.1414 -0.1283 -0.1214 -0.1200 0.9330 0.9501 1.6399 1.6632 1.8356 1.8552 2.0589 2.0605 2.0725 2.0745 2.5510 2.5810 2.7545 2.7854 2.8447 2.8618 2.8940 2.9172 3.4322 3.4395 3.4673 3.4684 3.9736 3.9991 4.0888 4.1364 4.2492 4.2618 4.3051 4.3358 4.5808 4.5974 4.5991 4.6120 4.7777 4.7819 4.8017 4.8043 5.7391 5.7545 7.7220 7.7295 7.8155 7.8206 9.8627 9.8714 10.1091 10.1241 10.5575 10.5602 k = 0.4808 0.5000 0.4955 ( 10168 PWs) bands (ev): -7.9313 -7.9297 -7.9238 -7.9223 -7.9205 -7.9179 -7.8270 -7.8263 -2.8907 -2.8904 -2.8777 -2.8766 -1.3449 -1.3413 -1.2046 -1.1980 -1.1659 -1.1639 -1.0071 -1.0016 -0.1421 -0.1343 -0.1268 -0.1264 0.9341 0.9426 1.6483 1.6600 1.8422 1.8521 2.0622 2.0627 2.0711 2.0718 2.5639 2.5793 2.7635 2.7803 2.8582 2.8720 2.8863 2.9040 3.4403 3.4466 3.4584 3.4615 3.9814 3.9949 4.1037 4.1284 4.2601 4.2699 4.3138 4.3322 4.5890 4.5983 4.6063 4.6126 4.7833 4.7853 4.8051 4.8064 5.7250 5.7330 7.7097 7.7135 7.8023 7.8049 9.8561 9.8604 10.1107 10.1185 10.5596 10.5604 k = 0.5000 0.5000 0.4955 ( 10160 PWs) bands (ev): -7.9284 -7.9284 -7.9239 -7.9239 -7.9202 -7.9202 -7.8269 -7.8269 -2.8904 -2.8904 -2.8771 -2.8771 -1.3426 -1.3426 -1.2014 -1.2014 -1.1645 -1.1645 -1.0059 -1.0059 -0.1395 -0.1395 -0.1284 -0.1284 0.9373 0.9373 1.6551 1.6551 1.8478 1.8478 2.0637 2.0637 2.0704 2.0704 2.5735 2.5735 2.7725 2.7725 2.8697 2.8697 2.8911 2.8911 3.4484 3.4484 3.4549 3.4549 3.9887 3.9887 4.1173 4.1173 4.2678 4.2678 4.3243 4.3243 4.5951 4.5951 4.6109 4.6109 4.7859 4.7859 4.8067 4.8067 5.7230 5.7230 7.7069 7.7069 7.7988 7.7988 9.8553 9.8553 10.1140 10.1140 10.5604 10.5604 k = 0.5000 0.5000 0.4955 ( 10160 PWs) bands (ev): -7.9284 -7.9284 -7.9239 -7.9239 -7.9202 -7.9202 -7.8269 -7.8269 -2.8904 -2.8904 -2.8771 -2.8771 -1.3426 -1.3426 -1.2014 -1.2014 -1.1645 -1.1645 -1.0059 -1.0059 -0.1395 -0.1395 -0.1284 -0.1284 0.9373 0.9373 1.6551 1.6551 1.8478 1.8478 2.0637 2.0637 2.0704 2.0704 2.5735 2.5735 2.7725 2.7725 2.8697 2.8697 2.8911 2.8911 3.4484 3.4484 3.4549 3.4549 3.9887 3.9887 4.1173 4.1173 4.2678 4.2678 4.3243 4.3243 4.5951 4.5951 4.6109 4.6109 4.7859 4.7859 4.8067 4.8067 5.7230 5.7230 7.7069 7.7069 7.7988 7.7988 9.8553 9.8553 10.1140 10.1140 10.5604 10.5604 k = 0.4865 0.4865 0.4955 ( 10170 PWs) bands (ev): -7.9314 -7.9299 -7.9228 -7.9227 -7.9206 -7.9182 -7.8270 -7.8263 -2.8907 -2.8904 -2.8777 -2.8766 -1.3450 -1.3413 -1.2046 -1.1980 -1.1659 -1.1639 -1.0071 -1.0016 -0.1423 -0.1340 -0.1269 -0.1265 0.9341 0.9426 1.6484 1.6600 1.8422 1.8521 2.0622 2.0627 2.0713 2.0717 2.5638 2.5794 2.7636 2.7803 2.8572 2.8768 2.8821 2.9046 3.4392 3.4520 3.4522 3.4634 3.9812 3.9951 4.1039 4.1282 4.2597 4.2707 4.3135 4.3323 4.5892 4.5970 4.6078 4.6123 4.7832 4.7854 4.8051 4.8064 5.7249 5.7330 7.7096 7.7134 7.8023 7.8049 9.8561 9.8603 10.1106 10.1186 10.5596 10.5605 k = 0.4730 0.4730 0.4955 ( 10174 PWs) bands (ev): -7.9360 -7.9346 -7.9214 -7.9208 -7.9192 -7.9156 -7.8266 -7.8253 -2.8912 -2.8905 -2.8784 -2.8763 -1.3485 -1.3411 -1.2072 -1.1947 -1.1679 -1.1638 -1.0052 -0.9947 -0.1433 -0.1251 -0.1218 -0.1212 0.9330 0.9500 1.6399 1.6633 1.8357 1.8552 2.0590 2.0605 2.0732 2.0738 2.5503 2.5819 2.7544 2.7848 2.8415 2.8767 2.8807 2.9193 3.4290 3.4505 3.4538 3.4741 3.9719 4.0010 4.0897 4.1349 4.2459 4.2689 4.3016 4.3368 4.5808 4.5874 4.6104 4.6107 4.7770 4.7823 4.8019 4.8047 5.7386 5.7543 7.7208 7.7281 7.8162 7.8213 9.8623 9.8713 10.1084 10.1246 10.5573 10.5605 k = 0.4595 0.4595 0.4955 ( 10178 PWs) bands (ev): -7.9417 -7.9408 -7.9195 -7.9190 -7.9169 -7.9132 -7.8258 -7.8240 -2.8920 -2.8908 -2.8792 -2.8761 -1.3532 -1.3417 -1.2092 -1.1919 -1.1704 -1.1644 -1.0000 -0.9854 -0.1429 -0.1162 -0.1110 -0.1108 0.9340 0.9594 1.6296 1.6648 1.8282 1.8569 2.0551 2.0580 2.0754 2.0760 2.5328 2.5812 2.7455 2.7812 2.8296 2.8731 2.8833 2.9334 3.4193 3.4492 3.4551 3.4849 3.9594 4.0065 4.0764 4.1349 4.2275 4.2630 4.2908 4.3378 4.5676 4.5693 4.6085 4.6151 4.7668 4.7770 4.7976 4.8019 5.7636 5.7862 7.7383 7.7487 7.8421 7.8498 9.8734 9.8880 10.1072 10.1318 10.5534 10.5612 k = 0.4459 0.4459 0.4955 ( 10202 PWs) bands (ev): -7.9483 -7.9480 -7.9170 -7.9167 -7.9144 -7.9109 -7.8246 -7.8224 -2.8931 -2.8912 -2.8799 -2.8761 -1.3588 -1.3430 -1.2105 -1.1899 -1.1733 -1.1655 -0.9915 -0.9739 -0.1414 -0.1081 -0.0957 -0.0936 0.9369 0.9708 1.6174 1.6647 1.8199 1.8572 2.0505 2.0556 2.0775 2.0781 2.5115 2.5776 2.7371 2.7650 2.8264 2.8704 2.8849 2.9462 3.4106 3.4478 3.4563 3.4955 3.9425 4.0114 4.0656 4.1244 4.2082 4.2533 4.2824 4.3357 4.5450 4.5481 4.6076 4.6194 4.7529 4.7700 4.7926 4.7981 5.7986 5.8273 7.7594 7.7727 7.8814 7.8918 9.8879 9.9099 10.1071 10.1401 10.5479 10.5637 k = 0.4324 0.4324 0.4955 ( 10208 PWs) bands (ev): -7.9561 -7.9559 -7.9139 -7.9137 -7.9120 -7.9087 -7.8232 -7.8206 -2.8945 -2.8917 -2.8806 -2.8763 -1.3652 -1.3449 -1.2112 -1.1891 -1.1763 -1.1670 -0.9798 -0.9604 -0.1388 -0.0986 -0.0762 -0.0717 0.9417 0.9841 1.6035 1.6628 1.8110 1.8562 2.0453 2.0534 2.0794 2.0802 2.4865 2.5714 2.7291 2.7401 2.8283 2.8684 2.8858 2.9576 3.4031 3.4463 3.4576 3.5056 3.9208 4.0154 4.0580 4.1009 4.1915 4.2403 4.2771 4.3311 4.5153 4.5224 4.6082 4.6220 4.7358 4.7624 4.7873 4.7936 5.8424 5.8764 7.7831 7.7989 7.9343 7.9469 9.9038 9.9365 10.1088 10.1490 10.5411 10.5687 k = 0.4189 0.4189 0.4955 ( 10204 PWs) bands (ev): -7.9651 -7.9644 -7.9103 -7.9100 -7.9097 -7.9064 -7.8216 -7.8187 -2.8962 -2.8923 -2.8811 -2.8767 -1.3722 -1.3470 -1.2112 -1.1899 -1.1788 -1.1689 -0.9653 -0.9451 -0.1350 -0.0878 -0.0523 -0.0456 0.9482 0.9989 1.5878 1.6592 1.8015 1.8538 2.0395 2.0514 2.0811 2.0822 2.4584 2.5626 2.7105 2.7215 2.8314 2.8669 2.8863 2.9674 3.3971 3.4446 3.4589 3.5155 3.8950 4.0176 4.0532 4.0669 4.1770 4.2247 4.2752 4.3245 4.4807 4.4920 4.6099 4.6224 4.7161 4.7545 4.7822 4.7884 5.8935 5.9321 7.8093 7.8275 7.9992 8.0137 9.9177 9.9665 10.1145 10.1581 10.5341 10.5762 k = 0.4054 0.4054 0.4955 ( 10212 PWs) bands (ev): -7.9749 -7.9737 -7.9073 -7.9063 -7.9058 -7.9039 -7.8200 -7.8169 -2.8982 -2.8931 -2.8817 -2.8772 -1.3796 -1.3494 -1.2109 -1.1927 -1.1804 -1.1710 -0.9481 -0.9283 -0.1302 -0.0759 -0.0243 -0.0154 0.9562 1.0152 1.5704 1.6539 1.7918 1.8501 2.0331 2.0499 2.0824 2.0844 2.4275 2.5515 2.6778 2.7142 2.8346 2.8654 2.8865 2.9756 3.3928 3.4426 3.4602 3.5250 3.8664 4.0125 4.0315 4.0499 4.1628 4.2071 4.2764 4.3159 4.4421 4.4584 4.6114 4.6195 4.6947 4.7467 4.7777 4.7826 5.9504 5.9931 7.8381 7.8587 8.0745 8.0900 9.9256 9.9981 10.1272 10.1673 10.5277 10.5855 k = 0.3919 0.3919 0.4955 ( 10206 PWs) bands (ev): -7.9853 -7.9837 -7.9051 -7.9032 -7.9009 -7.9001 -7.8182 -7.8149 -2.9004 -2.8938 -2.8821 -2.8778 -1.3872 -1.3519 -1.2102 -1.1968 -1.1815 -1.1734 -0.9286 -0.9100 -0.1245 -0.0628 0.0075 0.0186 0.9655 1.0325 1.5516 1.6468 1.7817 1.8452 2.0260 2.0487 2.0834 2.0867 2.3945 2.5383 2.6430 2.7069 2.8380 2.8635 2.8867 2.9821 3.3903 3.4403 3.4616 3.5343 3.8362 3.9762 4.0210 4.0465 4.1485 4.1885 4.2802 4.3050 4.4004 4.4242 4.6111 4.6130 4.6732 4.7388 4.7746 4.7765 6.0118 6.0584 7.8698 7.8928 8.1581 8.1741 9.9240 10.0285 10.1493 10.1774 10.5229 10.5933 k = 0.3784 0.3784 0.4955 ( 10206 PWs) bands (ev): -7.9964 -7.9943 -7.9030 -7.9009 -7.8955 -7.8949 -7.8165 -7.8130 -2.9028 -2.8947 -2.8825 -2.8786 -1.3948 -1.3543 -1.2094 -1.2016 -1.1826 -1.1760 -0.9072 -0.8904 -0.1180 -0.0489 0.0430 0.0564 0.9758 1.0504 1.5317 1.6380 1.7715 1.8392 2.0181 2.0479 2.0838 2.0892 2.3601 2.5228 2.6068 2.6998 2.8416 2.8607 2.8871 2.9868 3.3896 3.4375 3.4631 3.5434 3.8055 3.9305 4.0149 4.0413 4.1347 4.1701 4.2858 4.2899 4.3566 4.3926 4.6024 4.6048 4.6553 4.7305 4.7701 4.7732 6.0766 6.1269 7.9044 7.9298 8.2485 8.2640 9.9127 10.0531 10.1805 10.1908 10.5199 10.5935 k = 0.3649 0.3649 0.4955 ( 10214 PWs) bands (ev): -8.0078 -8.0055 -7.9010 -7.8990 -7.8895 -7.8889 -7.8146 -7.8110 -2.9053 -2.8956 -2.8829 -2.8795 -1.4023 -1.3567 -1.2084 -1.2067 -1.1838 -1.1786 -0.8842 -0.8696 -0.1107 -0.0341 0.0818 0.0976 0.9870 1.0685 1.5112 1.6276 1.7613 1.8322 2.0092 2.0474 2.0834 2.0920 2.3251 2.5046 2.5707 2.6929 2.8458 2.8566 2.8878 2.9896 3.3907 3.4342 3.4645 3.5525 3.7753 3.8841 4.0049 4.0324 4.1224 4.1533 4.2680 4.2919 4.3127 4.3679 4.5874 4.5879 4.6462 4.7217 4.7638 4.7735 6.1437 6.1977 7.9418 7.9696 8.3439 8.3582 9.8933 10.0672 10.2103 10.2188 10.5177 10.5796 k = 0.3514 0.3514 0.4955 ( 10218 PWs) bands (ev): -8.0197 -8.0171 -7.8993 -7.8974 -7.8831 -7.8825 -7.8126 -7.8088 -2.9080 -2.8965 -2.8832 -2.8804 -1.4097 -1.3590 -1.2121 -1.2075 -1.1851 -1.1812 -0.8599 -0.8479 -0.1029 -0.0187 0.1237 0.1420 0.9986 1.0860 1.4906 1.6158 1.7509 1.8244 1.9991 2.0472 2.0821 2.0951 2.2906 2.4818 2.5372 2.6864 2.8505 2.8512 2.8891 2.9905 3.3935 3.4303 3.4659 3.5616 3.7462 3.8385 3.9904 4.0182 4.1120 4.1391 4.2383 4.2648 4.3029 4.3524 4.5607 4.5695 4.6437 4.7125 4.7576 4.7751 6.2123 6.2702 7.9816 8.0119 8.4432 8.4552 9.8680 10.0693 10.2356 10.2612 10.5134 10.5521 k = 0.3378 0.3378 0.4955 ( 10226 PWs) bands (ev): -8.0319 -8.0291 -7.8980 -7.8961 -7.8762 -7.8755 -7.8104 -7.8064 -2.9106 -2.8975 -2.8835 -2.8815 -1.4167 -1.3611 -1.2176 -1.2068 -1.1866 -1.1837 -0.8344 -0.8254 -0.0946 -0.0030 0.1685 0.1894 1.0105 1.1022 1.4709 1.6027 1.7406 1.8156 1.9876 2.0473 2.0792 2.0985 2.2576 2.4521 2.5098 2.6805 2.8440 2.8562 2.8910 2.9892 3.3979 3.4256 3.4672 3.5707 3.7186 3.7947 3.9716 3.9984 4.1035 4.1279 4.2033 4.2202 4.3120 4.3449 4.5291 4.5477 4.6432 4.7030 4.7518 4.7776 6.2817 6.3436 8.0236 8.0564 8.5449 8.5536 9.8388 10.0618 10.2621 10.3053 10.5026 10.5171 k = 0.3243 0.3243 0.4955 ( 10234 PWs) bands (ev): -8.0443 -8.0413 -7.8970 -7.8952 -7.8689 -7.8682 -7.8079 -7.8038 -2.9133 -2.8984 -2.8837 -2.8825 -1.4234 -1.3630 -1.2231 -1.2063 -1.1881 -1.1860 -0.8082 -0.8023 -0.0860 0.0130 0.2158 0.2394 1.0221 1.1160 1.4529 1.5886 1.7302 1.8061 1.9743 2.0474 2.0742 2.1021 2.2279 2.4160 2.4890 2.6757 2.8353 2.8626 2.8934 2.9857 3.4034 3.4203 3.4684 3.5800 3.6930 3.7536 3.9493 3.9736 4.0960 4.1187 4.1659 4.1764 4.3225 4.3432 4.4946 4.5227 4.6427 4.6932 4.7467 4.7806 6.3512 6.4173 8.0672 8.1027 8.6480 8.6521 9.8072 10.0480 10.2843 10.3485 10.4800 10.4826 k = 0.3108 0.3108 0.4955 ( 10234 PWs) bands (ev): -8.0569 -8.0538 -7.8966 -7.8947 -7.8612 -7.8605 -7.8050 -7.8009 -2.9159 -2.8994 -2.8839 -2.8836 -1.4298 -1.3647 -1.2285 -1.2061 -1.1897 -1.1879 -0.7814 -0.7787 -0.0773 0.0290 0.2653 0.2918 1.0333 1.1263 1.4377 1.5739 1.7198 1.7957 1.9587 2.0476 2.0665 2.1056 2.2028 2.3766 2.4727 2.6724 2.8252 2.8698 2.8962 2.9800 3.4081 3.4163 3.4693 3.5894 3.6695 3.7158 3.9244 3.9453 4.0885 4.1101 4.1286 4.1347 4.3338 4.3457 4.4580 4.4951 4.6413 4.6834 4.7425 4.7839 6.4203 6.4907 8.1120 8.1503 8.7494 8.7514 9.7745 10.0304 10.2982 10.3877 10.4445 10.4560 k = 0.2973 0.2973 0.4955 ( 10234 PWs) bands (ev): -8.0695 -8.0663 -7.8967 -7.8948 -7.8532 -7.8525 -7.8018 -7.7976 -2.9185 -2.9003 -2.8847 -2.8841 -1.4357 -1.3663 -1.2339 -1.2065 -1.1912 -1.1894 -0.7547 -0.7542 -0.0687 0.0446 0.3168 0.3463 1.0438 1.1322 1.4263 1.5589 1.7093 1.7846 1.9405 2.0478 2.0559 2.1087 2.1836 2.3362 2.4597 2.6709 2.8139 2.8779 2.8989 2.9723 3.4038 3.4214 3.4700 3.5989 3.6482 3.6818 3.8976 3.9147 4.0764 4.0889 4.0994 4.1045 4.3455 4.3516 4.4197 4.4654 4.6384 4.6734 4.7394 4.7871 6.4884 6.5635 8.1575 8.1988 8.8441 8.8543 9.7419 10.0104 10.3018 10.4037 10.4269 10.4291 k = 0.2838 0.2838 0.4955 ( 10230 PWs) bands (ev): -8.0821 -8.0788 -7.8972 -7.8954 -7.8450 -7.8443 -7.7982 -7.7939 -2.9209 -2.9013 -2.8858 -2.8843 -1.4411 -1.3678 -1.2391 -1.2074 -1.1928 -1.1903 -0.7307 -0.7270 -0.0603 0.0597 0.3698 0.4025 1.0531 1.1330 1.4193 1.5440 1.6987 1.7726 1.9198 2.0432 2.0477 2.1110 2.1700 2.2962 2.4496 2.6718 2.8018 2.8869 2.9004 2.9635 3.3956 3.4304 3.4702 3.6084 3.6295 3.6520 3.8697 3.8830 4.0468 4.0532 4.0835 4.0955 4.3571 4.3602 4.3804 4.4345 4.6339 4.6634 4.7373 4.7902 6.5552 6.6351 8.2031 8.2476 8.9349 8.9558 9.7104 9.9888 10.2954 10.3777 10.3978 10.4513 k = 0.2703 0.2703 0.4955 ( 10246 PWs) bands (ev): -8.0946 -8.0914 -7.8984 -7.8966 -7.8366 -7.8359 -7.7942 -7.7899 -2.9232 -2.9022 -2.8868 -2.8844 -1.4460 -1.3691 -1.2441 -1.2089 -1.1944 -1.1908 -0.7068 -0.6998 -0.0522 0.0739 0.4242 0.4602 1.0612 1.1290 1.4166 1.5297 1.6878 1.7598 1.8972 2.0294 2.0474 2.1120 2.1611 2.2576 2.4421 2.6754 2.7894 2.8967 2.8983 2.9557 3.3864 3.4407 3.4699 3.6117 3.6191 3.6264 3.8412 3.8508 4.0109 4.0180 4.0756 4.0867 4.3390 4.3644 4.3724 4.4066 4.6279 4.6533 4.7363 4.7931 6.6203 6.7050 8.2482 8.2961 9.0200 9.0553 9.6815 9.9660 10.2806 10.3535 10.3695 10.4661 k = 0.2568 0.2568 0.4955 ( 10250 PWs) bands (ev): -8.1070 -8.1038 -7.9000 -7.8982 -7.8281 -7.8273 -7.7898 -7.7855 -2.9254 -2.9032 -2.8878 -2.8845 -1.4505 -1.3704 -1.2488 -1.2108 -1.1959 -1.1909 -0.6831 -0.6730 -0.0446 0.0868 0.4793 0.5190 1.0679 1.1210 1.4171 1.5164 1.6765 1.7462 1.8737 2.0157 2.0466 2.1112 2.1552 2.2213 2.4370 2.6819 2.7776 2.8894 2.9073 2.9523 3.3768 3.4517 3.4689 3.5981 3.6049 3.6280 3.8124 3.8190 3.9758 3.9839 4.0687 4.0773 4.2979 4.3501 4.3859 4.3993 4.6204 4.6432 4.7362 4.7958 6.6832 6.7729 8.2922 8.3436 9.0972 9.1520 9.6569 9.9418 10.2590 10.3347 10.3422 10.4690 k = 0.2432 0.2432 0.4955 ( 10242 PWs) bands (ev): -8.1192 -8.1160 -7.9020 -7.9002 -7.8194 -7.8187 -7.7851 -7.7809 -2.9274 -2.9042 -2.8886 -2.8846 -1.4543 -1.3717 -1.2533 -1.2130 -1.1973 -1.1907 -0.6598 -0.6467 -0.0376 0.0982 0.5350 0.5785 1.0731 1.1104 1.4196 1.5043 1.6648 1.7319 1.8507 2.0026 2.0452 2.1082 2.1514 2.1880 2.4334 2.6913 2.7675 2.8730 2.9188 2.9543 3.3672 3.4633 3.4672 3.5861 3.5872 3.6373 3.7838 3.7881 3.9424 3.9509 4.0618 4.0674 4.2565 4.3176 4.4014 4.4096 4.6116 4.6333 4.7369 4.7982 6.7436 6.8384 8.3346 8.3895 9.1635 9.2452 9.6391 9.9155 10.2298 10.3177 10.3222 10.4586 k = 0.2297 0.2297 0.4955 ( 10246 PWs) bands (ev): -8.1311 -8.1279 -7.9044 -7.9027 -7.8108 -7.8101 -7.7802 -7.7760 -2.9292 -2.9053 -2.8894 -2.8847 -1.4577 -1.3731 -1.2573 -1.2153 -1.1986 -1.1905 -0.6371 -0.6213 -0.0312 0.1077 0.5907 0.6384 1.0770 1.0987 1.4226 1.4939 1.6526 1.7171 1.8294 1.9902 2.0429 2.1022 2.1487 2.1590 2.4302 2.7029 2.7605 2.8514 2.9312 2.9602 3.3582 3.4645 3.4752 3.5726 3.5762 3.6463 3.7556 3.7585 3.9108 3.9190 4.0548 4.0569 4.2152 4.2810 4.4188 4.4234 4.6018 4.6235 4.7381 4.8004 6.8014 6.9010 8.3748 8.4333 9.2149 9.3342 9.6313 9.8862 10.1892 10.2986 10.3168 10.4265 k = 0.2162 0.2162 0.4955 ( 10252 PWs) bands (ev): -8.1427 -8.1395 -7.9071 -7.9054 -7.8022 -7.8015 -7.7751 -7.7710 -2.9308 -2.9063 -2.8900 -2.8848 -1.4605 -1.3746 -1.2609 -1.2178 -1.1998 -1.1902 -0.6152 -0.5968 -0.0257 0.1152 0.6458 0.6983 1.0797 1.0871 1.4251 1.4852 1.6402 1.7019 1.8108 1.9786 2.0393 2.0919 2.1363 2.1465 2.4255 2.7144 2.7580 2.8288 2.9444 2.9685 3.3500 3.4610 3.4871 3.5609 3.5681 3.6548 3.7281 3.7306 3.8811 3.8881 4.0457 4.0476 4.1748 4.2432 4.4377 4.4379 4.5911 4.6143 4.7398 4.8024 6.8560 6.9603 8.4123 8.4744 9.2479 9.4180 9.6364 9.8528 10.1311 10.2866 10.3172 10.3268 k = 0.2027 0.2027 0.4955 ( 10252 PWs) bands (ev): -8.1538 -8.1508 -7.9100 -7.9084 -7.7937 -7.7930 -7.7698 -7.7658 -2.9322 -2.9075 -2.8905 -2.8849 -1.4627 -1.3763 -1.2641 -1.2203 -1.2009 -1.1899 -0.5943 -0.5736 -0.0209 0.1203 0.6999 0.7575 1.0768 1.0819 1.4261 1.4785 1.6279 1.6865 1.7952 1.9677 2.0339 2.0767 2.1214 2.1446 2.4179 2.7194 2.7614 2.8127 2.9586 2.9784 3.3429 3.4565 3.4987 3.5516 3.5617 3.6625 3.7016 3.7047 3.8532 3.8582 4.0331 4.0401 4.1364 4.2051 4.4523 4.4580 4.5797 4.6060 4.7419 4.8043 6.9074 7.0160 8.4469 8.5124 9.2614 9.4948 9.6551 9.8143 10.0513 10.1805 10.2824 10.3292 k = 0.1892 0.1892 0.4955 ( 10248 PWs) bands (ev): -8.1645 -8.1616 -7.9131 -7.9116 -7.7854 -7.7848 -7.7645 -7.7607 -2.9333 -2.9087 -2.8908 -2.8849 -1.4643 -1.3783 -1.2667 -1.2228 -1.2018 -1.1897 -0.5744 -0.5517 -0.0168 0.1231 0.7520 0.8153 1.0688 1.0841 1.4253 1.4737 1.6162 1.6711 1.7827 1.9576 2.0259 2.0599 2.1124 2.1427 2.4059 2.7073 2.7713 2.8141 2.9738 2.9895 3.3369 3.4510 3.5090 3.5449 3.5568 3.6681 3.6762 3.6823 3.8272 3.8294 4.0183 4.0322 4.1014 4.1674 4.4655 4.4794 4.5677 4.5993 4.7442 4.8061 6.9553 7.0675 8.4782 8.5468 9.2583 9.5612 9.6841 9.7698 9.9550 10.0306 10.2844 10.3035 k = 0.1757 0.1757 0.4955 ( 10242 PWs) bands (ev): -8.1747 -8.1719 -7.9163 -7.9148 -7.7773 -7.7767 -7.7593 -7.7556 -2.9342 -2.9100 -2.8910 -2.8850 -1.4654 -1.3806 -1.2688 -1.2253 -1.2026 -1.1896 -0.5557 -0.5315 -0.0135 0.1234 0.8011 0.8706 1.0643 1.0876 1.4228 1.4709 1.6054 1.6559 1.7729 1.9485 2.0143 2.0452 2.1067 2.1406 2.3893 2.6794 2.7874 2.8320 2.9899 3.0017 3.3322 3.4447 3.5163 3.5418 3.5529 3.6524 3.6567 3.6781 3.8015 3.8030 3.9995 4.0235 4.0721 4.1309 4.4764 4.5018 4.5553 4.5953 4.7470 4.8079 6.9995 7.1147 8.5060 8.5773 9.2436 9.6061 9.7184 9.7192 9.8619 9.8822 10.2632 10.2984 k = 0.1622 0.1622 0.4955 ( 10242 PWs) bands (ev): -8.1843 -8.1817 -7.9195 -7.9181 -7.7696 -7.7690 -7.7541 -7.7507 -2.9349 -2.9113 -2.8911 -2.8850 -1.4659 -1.3833 -1.2703 -1.2278 -1.2033 -1.1895 -0.5383 -0.5130 -0.0108 0.1215 0.8458 0.9211 1.0653 1.0937 1.4191 1.4699 1.5957 1.6409 1.7653 1.9406 1.9993 2.0340 2.1030 2.1381 2.3682 2.6437 2.8089 2.8581 3.0072 3.0149 3.3286 3.4375 3.5183 3.5436 3.5498 3.6309 3.6379 3.6823 3.7748 3.7807 3.9758 4.0135 4.0502 4.0967 4.4835 4.5240 4.5434 4.5951 4.7501 4.8098 7.0400 7.1569 8.5303 8.6037 9.2218 9.5954 9.6643 9.7367 9.7557 9.8134 10.2385 10.2979 k = 0.1486 0.1486 0.4955 ( 10250 PWs) bands (ev): -8.1933 -8.1909 -7.9226 -7.9213 -7.7622 -7.7617 -7.7490 -7.7459 -2.9354 -2.9127 -2.8910 -2.8851 -1.4659 -1.3863 -1.2712 -1.2303 -1.2037 -1.1896 -0.5222 -0.4963 -0.0086 0.1174 0.8843 0.9620 1.0760 1.1043 1.4150 1.4704 1.5870 1.6264 1.7595 1.9342 1.9825 2.0255 2.1008 2.1353 2.3435 2.6043 2.8342 2.8878 3.0256 3.0293 3.3261 3.4295 3.5166 3.5466 3.5473 3.6136 3.6209 3.6853 3.7495 3.7600 3.9486 4.0005 4.0345 4.0667 4.4859 4.5273 4.5505 4.5996 4.7537 4.8119 7.0766 7.1941 8.5509 8.6261 9.1960 9.5160 9.5997 9.6078 9.7902 9.8265 10.2213 10.2661 k = 0.1351 0.1351 0.4955 ( 10250 PWs) bands (ev): -8.2017 -8.1994 -7.9257 -7.9245 -7.7552 -7.7548 -7.7442 -7.7413 -2.9357 -2.9142 -2.8909 -2.8851 -1.4654 -1.3897 -1.2716 -1.2328 -1.2040 -1.1898 -0.5075 -0.4816 -0.0067 0.1114 0.9147 0.9876 1.1016 1.1213 1.4112 1.4723 1.5790 1.6123 1.7548 1.9296 1.9652 2.0189 2.1000 2.1319 2.3159 2.5632 2.8618 2.9187 3.0451 3.0452 3.3248 3.4208 3.5139 3.5443 3.5452 3.6040 3.6061 3.6850 3.7270 3.7411 3.9210 3.9827 4.0229 4.0435 4.4838 4.5147 4.5731 4.6084 4.7579 4.8142 7.1094 7.2259 8.5679 8.6442 9.1685 9.4140 9.4697 9.5485 9.8244 9.8612 10.2096 10.2370 k = 0.1216 0.1216 0.4955 ( 10258 PWs) bands (ev): -8.2094 -8.2073 -7.9286 -7.9275 -7.7487 -7.7485 -7.7396 -7.7370 -2.9358 -2.9157 -2.8906 -2.8852 -1.4643 -1.3935 -1.2715 -1.2353 -1.2041 -1.1901 -0.4943 -0.4688 -0.0051 0.1040 0.9366 0.9994 1.1398 1.1453 1.4087 1.4751 1.5714 1.5987 1.7511 1.9270 1.9475 2.0143 2.1003 2.1280 2.2864 2.5213 2.8902 2.9488 3.0626 3.0661 3.3246 3.4117 3.5115 3.5339 3.5431 3.5936 3.6036 3.6774 3.7114 3.7236 3.8950 3.9598 4.0137 4.0276 4.4782 4.5014 4.5956 4.6200 4.7630 4.8169 7.1385 7.2521 8.5812 8.6581 9.1408 9.3116 9.3495 9.4883 9.8574 9.8982 10.2019 10.2111 k = 0.1081 0.1081 0.4955 ( 10256 PWs) bands (ev): -8.2163 -8.2144 -7.9313 -7.9303 -7.7428 -7.7427 -7.7353 -7.7330 -2.9357 -2.9172 -2.8903 -2.8853 -1.4627 -1.3976 -1.2710 -1.2377 -1.2040 -1.1906 -0.4824 -0.4581 -0.0035 0.0954 0.9510 1.0041 1.1751 1.1832 1.4079 1.4785 1.5638 1.5854 1.7481 1.9268 1.9295 2.0117 2.1018 2.1236 2.2558 2.4792 2.9181 2.9764 3.0821 3.0880 3.3257 3.4023 3.5096 3.5189 3.5407 3.5830 3.6090 3.6605 3.7048 3.7074 3.8718 3.9344 4.0061 4.0167 4.4705 4.4883 4.6168 4.6330 4.7691 4.8200 7.1640 7.2728 8.5908 8.6677 9.1132 9.2156 9.2417 9.4289 9.8894 9.9325 10.1886 10.1971 k = 0.0946 0.0946 0.4955 ( 10268 PWs) bands (ev): -8.2225 -8.2209 -7.9338 -7.9329 -7.7375 -7.7375 -7.7312 -7.7294 -2.9353 -2.9187 -2.8899 -2.8854 -1.4606 -1.4019 -1.2700 -1.2402 -1.2038 -1.1912 -0.4719 -0.4492 -0.0017 0.0861 0.9602 1.0055 1.2085 1.2272 1.4094 1.4821 1.5557 1.5724 1.7458 1.9111 1.9292 2.0113 2.1045 2.1185 2.2248 2.4375 2.9445 3.0001 3.1036 3.1105 3.3282 3.3930 3.5010 3.5100 3.5375 3.5742 3.6167 3.6404 3.6924 3.7018 3.8520 3.9092 3.9998 4.0086 4.4618 4.4756 4.6360 4.6459 4.7765 4.8236 7.1864 7.2881 8.5967 8.6729 9.0819 9.1292 9.1529 9.3717 9.9207 9.9633 10.1695 10.1943 k = 0.0811 0.0811 0.4955 ( 10266 PWs) bands (ev): -8.2279 -8.2265 -7.9360 -7.9352 -7.7330 -7.7328 -7.7276 -7.7261 -2.9348 -2.9203 -2.8895 -2.8855 -1.4581 -1.4065 -1.2687 -1.2426 -1.2033 -1.1919 -0.4627 -0.4422 0.0002 0.0764 0.9663 1.0052 1.2432 1.2694 1.4132 1.4854 1.5469 1.5597 1.7446 1.8923 1.9342 2.0131 2.1083 2.1128 2.1943 2.3967 2.9687 3.0193 3.1263 3.1331 3.3322 3.3842 3.4846 3.5100 3.5326 3.5667 3.6217 3.6249 3.6784 3.6990 3.8359 3.8859 3.9945 4.0022 4.4529 4.4635 4.6524 4.6580 4.7852 4.8275 7.2058 7.2982 8.5991 8.6730 9.0313 9.0545 9.1013 9.3178 9.9516 9.9902 10.1537 10.1927 k = 0.0676 0.0676 0.4955 ( 10262 PWs) bands (ev): -8.2325 -8.2313 -7.9380 -7.9373 -7.7292 -7.7289 -7.7243 -7.7233 -2.9342 -2.9218 -2.8891 -2.8857 -1.4552 -1.4112 -1.2672 -1.2450 -1.2027 -1.1927 -0.4547 -0.4369 0.0026 0.0666 0.9707 1.0038 1.2776 1.3084 1.4194 1.4878 1.5371 1.5471 1.7447 1.8730 1.9419 2.0171 2.1065 2.1128 2.1658 2.3572 2.9902 3.0341 3.1487 3.1548 3.3381 3.3764 3.4690 3.5115 3.5247 3.5598 3.6073 3.6330 3.6653 3.6958 3.8233 3.8651 3.9901 3.9968 4.4443 4.4525 4.6658 4.6685 4.7950 4.8315 7.2227 7.3037 8.5982 8.6676 8.9708 8.9924 9.0800 9.2679 9.9821 10.0134 10.1407 10.1910 k = 0.0541 0.0541 0.4955 ( 10266 PWs) bands (ev): -8.2363 -8.2353 -7.9395 -7.9390 -7.7261 -7.7257 -7.7215 -7.7208 -2.9334 -2.9233 -2.8887 -2.8859 -1.4518 -1.4161 -1.2654 -1.2475 -1.2020 -1.1936 -0.4480 -0.4332 0.0056 0.0570 0.9743 1.0015 1.3103 1.3430 1.4277 1.4891 1.5262 1.5345 1.7467 1.8535 1.9523 2.0227 2.0997 2.1135 2.1449 2.3195 3.0088 3.0449 3.1691 3.1745 3.3454 3.3702 3.4553 3.5127 3.5139 3.5531 3.5990 3.6401 3.6536 3.6920 3.8141 3.8473 3.9868 3.9923 4.4365 4.4427 4.6762 4.6772 4.8053 4.8352 7.2375 7.3050 8.5950 8.6564 8.9213 8.9434 9.0701 9.2228 10.0118 10.0328 10.1305 10.1881 k = 0.0405 0.0405 0.4955 ( 10270 PWs) bands (ev): -8.2392 -8.2385 -7.9408 -7.9404 -7.7237 -7.7233 -7.7193 -7.7188 -2.9324 -2.9248 -2.8882 -2.8861 -1.4481 -1.4210 -1.2634 -1.2499 -1.2011 -1.1946 -0.4423 -0.4309 0.0092 0.0479 0.9777 0.9987 1.3406 1.3717 1.4381 1.4887 1.5145 1.5221 1.7511 1.8341 1.9651 2.0290 2.0924 2.0986 2.1446 2.2841 3.0245 3.0521 3.1862 3.1908 3.3537 3.3660 3.4445 3.4971 3.5173 3.5470 3.5966 3.6385 3.6511 3.6874 3.8081 3.8326 3.9843 3.9886 4.4302 4.4345 4.6836 4.6839 4.8154 4.8381 7.2507 7.3030 8.5911 8.6405 8.8870 8.9068 9.0675 9.1829 10.0397 10.0488 10.1231 10.1823 k = 0.0270 0.0270 0.4955 ( 10266 PWs) bands (ev): -8.2413 -8.2408 -7.9417 -7.9414 -7.7220 -7.7216 -7.7176 -7.7174 -2.9314 -2.9262 -2.8878 -2.8864 -1.4441 -1.4258 -1.2613 -1.2522 -1.2001 -1.1957 -0.4377 -0.4300 0.0135 0.0394 0.9811 0.9954 1.3672 1.3926 1.4503 1.4865 1.5031 1.5099 1.7583 1.8152 1.9802 2.0334 2.0792 2.0848 2.1567 2.2514 3.0371 3.0558 3.1992 3.2028 3.3610 3.3641 3.4386 3.4797 3.5215 3.5414 3.5985 3.6285 3.6575 3.6823 3.8050 3.8211 3.9828 3.9857 4.4255 4.4283 4.6886 4.6886 4.8244 4.8396 7.2626 7.2982 8.5885 8.6228 8.8667 8.8813 9.0714 9.1487 10.0614 10.0631 10.1201 10.1725 k = 0.0135 0.0135 0.4955 ( 10274 PWs) bands (ev): -8.2425 -8.2422 -7.9422 -7.9420 -7.7209 -7.7207 -7.7165 -7.7165 -2.9302 -2.9276 -2.8874 -2.8867 -1.4398 -1.4306 -1.2592 -1.2546 -1.1990 -1.1968 -0.4342 -0.4303 0.0187 0.0317 0.9846 0.9919 1.3885 1.4033 1.4633 1.4824 1.4944 1.4987 1.7686 1.7976 1.9971 2.0295 2.0687 2.0772 2.1742 2.2219 3.0467 3.0561 3.2076 3.2096 3.3644 3.3652 3.4398 3.4628 3.5261 3.5361 3.6033 3.6188 3.6642 3.6767 3.8047 3.8127 3.9822 3.9837 4.4228 4.4241 4.6913 4.6914 4.8316 4.8392 7.2733 7.2914 8.5894 8.6069 8.8576 8.8653 9.0815 9.1202 10.0710 10.0762 10.1261 10.1584 k = 0.0000 0.0000 0.4955 ( 10292 PWs) bands (ev): -8.2428 -8.2428 -7.9423 -7.9423 -7.7204 -7.7204 -7.7162 -7.7162 -2.9290 -2.9290 -2.8870 -2.8870 -1.4353 -1.4353 -1.2569 -1.2569 -1.1979 -1.1979 -0.4317 -0.4317 0.0248 0.0248 0.9882 0.9882 1.4017 1.4017 1.4751 1.4751 1.4921 1.4921 1.7818 1.7818 2.0148 2.0148 2.0706 2.0706 2.1961 2.1961 3.0530 3.0530 3.2111 3.2111 3.3656 3.3656 3.4486 3.4486 3.5310 3.5310 3.6102 3.6102 3.6706 3.6706 3.8072 3.8072 3.9824 3.9824 4.4223 4.4223 4.6923 4.6923 4.8366 4.8366 7.2829 7.2829 8.5953 8.5953 8.8575 8.8575 9.0978 9.0978 10.0769 10.0769 10.1414 10.1414 k = 0.0000 0.5000-0.0000 ( 10234 PWs) bands (ev): -8.1368 -8.1368 -8.0779 -8.0779 -7.7078 -7.7078 -7.7013 -7.7013 -2.9380 -2.9380 -2.8788 -2.8788 -1.4517 -1.4517 -1.2504 -1.2504 -1.2066 -1.2066 -0.6086 -0.6086 0.6117 0.6117 0.7679 0.7679 1.1337 1.1337 1.4504 1.4504 1.5507 1.5507 1.9540 1.9540 1.9854 1.9854 2.1380 2.1380 2.3110 2.3110 2.6420 2.6420 2.7575 2.7575 3.3403 3.3403 3.4636 3.4636 3.6388 3.6388 3.7502 3.7502 3.9823 3.9823 4.1430 4.1430 4.2462 4.2462 4.3106 4.3106 4.4093 4.4093 4.6132 4.6132 7.0913 7.0913 8.4594 8.4594 9.5326 9.5326 9.6842 9.6842 9.9784 9.9784 10.0282 10.0282 k = 0.0000 0.5000 0.0191 ( 10240 PWs) bands (ev): -8.1364 -8.1364 -8.0778 -8.0775 -7.7082 -7.7079 -7.7016 -7.7016 -2.9398 -2.9359 -2.8795 -2.8781 -1.4572 -1.4458 -1.2525 -1.2487 -1.2094 -1.2033 -0.6137 -0.6035 0.6063 0.6165 0.7662 0.7683 1.1266 1.1334 1.4518 1.4522 1.5384 1.5655 1.9522 1.9563 1.9697 2.0000 2.1252 2.1517 2.2999 2.3223 2.6416 2.6438 2.7572 2.7588 3.3396 3.3420 3.4625 3.4648 3.6370 3.6405 3.7490 3.7510 3.9789 3.9861 4.1424 4.1427 4.2417 4.2475 4.3010 4.3205 4.4068 4.4141 4.6120 4.6152 7.0810 7.1013 8.4527 8.4753 9.5206 9.5443 9.6847 9.6893 9.9647 9.9894 10.0179 10.0384 k = 0.0000 0.5000 0.0381 ( 10246 PWs) bands (ev): -8.1353 -8.1353 -8.0773 -8.0768 -7.7091 -7.7086 -7.7026 -7.7025 -2.9415 -2.9337 -2.8804 -2.8777 -1.4622 -1.4395 -1.2551 -1.2478 -1.2115 -1.1997 -0.6187 -0.5987 0.6002 0.6209 0.7634 0.7671 1.1127 1.1265 1.4543 1.4575 1.5312 1.5809 1.9490 1.9560 1.9585 2.0123 2.1148 2.1650 2.2895 2.3337 2.6428 2.6470 2.7580 2.7614 3.3399 3.3447 3.4616 3.4664 3.6351 3.6421 3.7475 3.7512 3.9761 3.9906 4.1408 4.1416 4.2353 4.2448 4.2928 4.3295 4.4067 4.4212 4.6118 4.6181 7.0704 7.1107 8.4552 8.5001 9.5083 9.5555 9.6908 9.6995 9.9487 9.9978 10.0082 10.0482 k = 0.0000 0.5000 0.0572 ( 10234 PWs) bands (ev): -8.1335 -8.1335 -8.0764 -8.0756 -7.7106 -7.7098 -7.7042 -7.7041 -2.9429 -2.9314 -2.8814 -2.8773 -1.4668 -1.4328 -1.2580 -1.2478 -1.2125 -1.1959 -0.6236 -0.5940 0.5932 0.6247 0.7597 0.7642 1.0933 1.1144 1.4524 1.4668 1.5320 1.5958 1.9352 1.9543 1.9603 2.0207 2.1088 2.1766 2.2810 2.3448 2.6454 2.6516 2.7599 2.7652 3.3415 3.3482 3.4610 3.4682 3.6331 3.6435 3.7456 3.7510 3.9736 3.9958 4.1382 4.1401 4.2276 4.2376 4.2865 4.3366 4.4093 4.4304 4.6126 4.6218 7.0596 7.1193 8.4667 8.5338 9.4955 9.5658 9.7023 9.7144 9.9311 9.9998 10.0037 10.0570 k = 0.0000 0.5000 0.0762 ( 10246 PWs) bands (ev): -8.1310 -8.1309 -8.0751 -8.0740 -7.7128 -7.7117 -7.7063 -7.7063 -2.9440 -2.9290 -2.8825 -2.8772 -1.4708 -1.4259 -1.2610 -1.2487 -1.2126 -1.1922 -0.6282 -0.5896 0.5849 0.6280 0.7555 0.7594 1.0702 1.0988 1.4456 1.4787 1.5405 1.6093 1.9192 1.9570 1.9611 2.0237 2.1089 2.1846 2.2758 2.3555 2.6493 2.6574 2.7627 2.7704 3.3443 3.3523 3.4604 3.4702 3.6312 3.6447 3.7433 3.7503 3.9715 4.0017 4.1345 4.1383 4.2193 4.2269 4.2816 4.3408 4.4149 4.4415 4.6146 4.6262 7.0487 7.1270 8.4871 8.5761 9.4818 9.5741 9.7190 9.7328 9.9135 9.9933 10.0072 10.0648 k = 0.0000 0.5000 0.0953 ( 10244 PWs) bands (ev): -8.1277 -8.1277 -8.0734 -8.0720 -7.7155 -7.7144 -7.7090 -7.7088 -2.9448 -2.9265 -2.8837 -2.8771 -1.4743 -1.4189 -1.2640 -1.2502 -1.2117 -1.1888 -0.6325 -0.5855 0.5752 0.6305 0.7508 0.7528 1.0454 1.0814 1.4358 1.4916 1.5533 1.6209 1.9035 1.9605 1.9621 2.0220 2.1148 2.1872 2.2756 2.3659 2.6546 2.6641 2.7666 2.7769 3.3484 3.3569 3.4601 3.4726 3.6294 3.6459 3.7409 3.7492 3.9694 4.0081 4.1299 4.1366 4.2109 4.2137 4.2774 4.3419 4.4234 4.4543 4.6178 4.6314 7.0378 7.1335 8.5160 8.6265 9.4669 9.5790 9.7402 9.7524 9.8988 9.9897 10.0089 10.0721 k = 0.0000 0.5000 0.1144 ( 10248 PWs) bands (ev): -8.1238 -8.1237 -8.0713 -8.0696 -7.7189 -7.7179 -7.7121 -7.7117 -2.9454 -2.9241 -2.8849 -2.8773 -1.4773 -1.4117 -1.2670 -1.2521 -1.2102 -1.1856 -0.6363 -0.5818 0.5639 0.6317 0.7444 0.7460 1.0204 1.0633 1.4251 1.5045 1.5674 1.6304 1.8886 1.9581 1.9693 2.0177 2.1246 2.1838 2.2809 2.3757 2.6609 2.6716 2.7714 2.7849 3.3537 3.3618 3.4598 3.4752 3.6278 3.6470 3.7383 3.7476 3.9673 4.0149 4.1245 4.1353 4.1987 4.2025 4.2738 4.3405 4.4341 4.4682 4.6221 4.6374 7.0267 7.1385 8.5529 8.6847 9.4502 9.5787 9.7648 9.7692 9.8917 9.9908 10.0096 10.0797 k = 0.0000 0.5000 0.1334 ( 10254 PWs) bands (ev): -8.1192 -8.1191 -8.0688 -8.0669 -7.7231 -7.7222 -7.7155 -7.7147 -2.9457 -2.9216 -2.8863 -2.8775 -1.4797 -1.4047 -1.2698 -1.2542 -1.2083 -1.1829 -0.6396 -0.5785 0.5508 0.6310 0.7344 0.7411 0.9969 1.0457 1.4146 1.5162 1.5807 1.6377 1.8747 1.9540 1.9783 2.0128 2.1363 2.1762 2.2902 2.3850 2.6681 2.6795 2.7772 2.7944 3.3601 3.3669 3.4597 3.4782 3.6265 3.6480 3.7356 3.7457 3.9650 4.0216 4.1187 4.1347 4.1825 4.1945 4.2708 4.3378 4.4465 4.4829 4.6274 4.6439 7.0157 7.1418 8.5974 8.7501 9.4314 9.5713 9.7787 9.7913 9.8968 9.9987 10.0112 10.0885 k = 0.0000 0.5000 0.1525 ( 10258 PWs) bands (ev): -8.1139 -8.1138 -8.0660 -8.0639 -7.7280 -7.7273 -7.7192 -7.7181 -2.9456 -2.9193 -2.8876 -2.8779 -1.4815 -1.3978 -1.2723 -1.2563 -1.2061 -1.1807 -0.6422 -0.5756 0.5360 0.6274 0.7236 0.7361 0.9759 1.0293 1.4049 1.5258 1.5922 1.6434 1.8620 1.9487 1.9884 2.0080 2.1486 2.1663 2.3015 2.3938 2.6758 2.6875 2.7841 2.8054 3.3676 3.3719 3.4597 3.4814 3.6257 3.6491 3.7329 3.7435 3.9624 4.0276 4.1129 4.1352 4.1651 4.1871 4.2689 4.3348 4.4597 4.4980 4.6333 4.6510 7.0045 7.1432 8.6485 8.8221 9.4103 9.5561 9.7803 9.8166 9.9133 10.0164 10.0167 10.0993 k = 0.0000 0.5000 0.1715 ( 10254 PWs) bands (ev): -8.1080 -8.1079 -8.0628 -8.0605 -7.7337 -7.7331 -7.7231 -7.7216 -2.9453 -2.9170 -2.8890 -2.8784 -1.4827 -1.3914 -1.2744 -1.2581 -1.2037 -1.1791 -0.6441 -0.5731 0.5197 0.6197 0.7128 0.7307 0.9585 1.0149 1.3962 1.5322 1.6012 1.6484 1.8509 1.9428 1.9984 2.0033 2.1559 2.1609 2.3137 2.4020 2.6839 2.6954 2.7921 2.8176 3.3759 3.3766 3.4600 3.4849 3.6255 3.6504 3.7302 3.7412 3.9591 4.0316 4.1075 4.1372 4.1470 4.1810 4.2686 4.3325 4.4733 4.5131 4.6398 4.6585 6.9933 7.1426 8.7051 8.8996 9.3872 9.5341 9.7777 9.8369 9.9353 10.0304 10.0460 10.1127 k = 0.0000 0.5000 0.1906 ( 10254 PWs) bands (ev): -8.1015 -8.1014 -8.0594 -8.0568 -7.7400 -7.7396 -7.7273 -7.7255 -2.9447 -2.9149 -2.8904 -2.8791 -1.4834 -1.3856 -1.2758 -1.2597 -1.2013 -1.1781 -0.6453 -0.5710 0.5020 0.6071 0.7031 0.7250 0.9450 1.0030 1.3886 1.5347 1.6076 1.6535 1.8412 1.9369 1.9985 2.0068 2.1469 2.1727 2.3261 2.4097 2.6919 2.7029 2.8010 2.8308 3.3810 3.3847 3.4606 3.4886 3.6260 3.6518 3.7276 3.7388 3.9552 4.0324 4.1022 4.1282 4.1410 4.1776 4.2701 4.3318 4.4870 4.5280 4.6463 4.6661 6.9821 7.1397 8.7658 8.9812 9.3629 9.5080 9.7734 9.8491 9.9593 10.0553 10.0872 10.1292 k = 0.0000 0.5000 0.2096 ( 10242 PWs) bands (ev): -8.0945 -8.0943 -8.0556 -8.0530 -7.7470 -7.7467 -7.7316 -7.7295 -2.9438 -2.9130 -2.8917 -2.8798 -1.4835 -1.3808 -1.2764 -1.2609 -1.1990 -1.1777 -0.6456 -0.5693 0.4832 0.5897 0.6946 0.7185 0.9358 0.9938 1.3820 1.5329 1.6114 1.6594 1.8333 1.9315 1.9932 2.0115 2.1409 2.1839 2.3382 2.4167 2.6997 2.7099 2.8110 2.8447 3.3848 3.3937 3.4618 3.4925 3.6274 3.6535 3.7253 3.7365 3.9505 4.0294 4.0959 4.1090 4.1469 4.1789 4.2737 4.3334 4.5004 4.5423 4.6525 4.6737 6.9708 7.1345 8.8281 9.0635 9.3403 9.4817 9.7683 9.8531 9.9846 10.0913 10.1375 10.1492 k = 0.0000 0.5000 0.2287 ( 10248 PWs) bands (ev): -8.0868 -8.0867 -8.0517 -8.0489 -7.7546 -7.7543 -7.7361 -7.7338 -2.9426 -2.9113 -2.8931 -2.8806 -1.4830 -1.3771 -1.2759 -1.2617 -1.1967 -1.1780 -0.6451 -0.5681 0.4639 0.5683 0.6870 0.7114 0.9307 0.9874 1.3764 1.5269 1.6131 1.6663 1.8269 1.9267 1.9871 2.0109 2.1394 2.1942 2.3499 2.4232 2.7069 2.7163 2.8219 2.8589 3.3880 3.4021 3.4638 3.4965 3.6295 3.6555 3.7233 3.7344 3.9449 4.0229 4.0870 4.0897 4.1550 4.1861 4.2796 4.3375 4.5134 4.5557 4.6581 4.6809 6.9597 7.1271 8.8887 9.1367 9.3290 9.4602 9.7628 9.8512 10.0117 10.1345 10.1739 10.1944 k = 0.0000 0.5000 0.2478 ( 10248 PWs) bands (ev): -8.0787 -8.0786 -8.0475 -8.0446 -7.7627 -7.7625 -7.7407 -7.7383 -2.9411 -2.9098 -2.8943 -2.8815 -1.4820 -1.3748 -1.2742 -1.2620 -1.1947 -1.1789 -0.6439 -0.5672 0.4442 0.5442 0.6798 0.7034 0.9294 0.9840 1.3715 1.5174 1.6132 1.6742 1.8221 1.9224 1.9802 2.0044 2.1428 2.2037 2.3611 2.4292 2.7134 2.7221 2.8333 2.8730 3.3905 3.4094 3.4669 3.5006 3.6325 3.6578 3.7218 3.7326 3.9385 4.0140 4.0705 4.0751 4.1656 4.1991 4.2877 4.3444 4.5257 4.5681 4.6629 4.6876 6.9487 7.1173 8.9421 9.1750 9.3545 9.4498 9.7574 9.8459 10.0403 10.1779 10.2072 10.2556 k = 0.0000 0.5000 0.2668 ( 10266 PWs) bands (ev): -8.0702 -8.0700 -8.0432 -8.0403 -7.7713 -7.7711 -7.7455 -7.7429 -2.9395 -2.9086 -2.8955 -2.8825 -1.4804 -1.3739 -1.2713 -1.2620 -1.1928 -1.1805 -0.6419 -0.5667 0.4246 0.5186 0.6726 0.6948 0.9314 0.9833 1.3671 1.5050 1.6124 1.6828 1.8188 1.9185 1.9724 1.9928 2.1500 2.2123 2.3716 2.4345 2.7191 2.7271 2.8452 2.8865 3.3924 3.4150 3.4714 3.5046 3.6362 3.6605 3.7211 3.7312 3.9314 4.0033 4.0516 4.0610 4.1786 4.2166 4.2980 4.3538 4.5371 4.5792 4.6663 4.6936 6.9381 7.1055 8.9817 9.1683 9.4264 9.4576 9.7523 9.8388 10.0701 10.2142 10.2536 10.3194 k = 0.0000 0.5000 0.2859 ( 10266 PWs) bands (ev): -8.0613 -8.0610 -8.0388 -8.0359 -7.7803 -7.7802 -7.7502 -7.7476 -2.9375 -2.9077 -2.8966 -2.8835 -1.4783 -1.3745 -1.2672 -1.2614 -1.1912 -1.1826 -0.6391 -0.5665 0.4055 0.4925 0.6652 0.6856 0.9363 0.9850 1.3629 1.4906 1.6116 1.6918 1.8169 1.9148 1.9639 1.9775 2.1596 2.2199 2.3815 2.4393 2.7241 2.7315 2.8572 2.8991 3.3938 3.4187 3.4773 3.5086 3.6405 3.6633 3.7212 3.7303 3.9238 3.9916 4.0334 4.0455 4.1940 4.2373 4.3104 4.3655 4.5475 4.5888 4.6684 4.6985 6.9280 7.0918 9.0024 9.1419 9.4889 9.5192 9.7480 9.8311 10.1008 10.2481 10.3064 10.3842 k = 0.0000 0.5000 0.3049 ( 10278 PWs) bands (ev): -8.0520 -8.0518 -8.0343 -8.0315 -7.7896 -7.7896 -7.7549 -7.7523 -2.9355 -2.9071 -2.8976 -2.8846 -1.4756 -1.3763 -1.2621 -1.2604 -1.1898 -1.1853 -0.6358 -0.5667 0.3872 0.4666 0.6576 0.6761 0.9434 0.9887 1.3585 1.4746 1.6115 1.7011 1.8161 1.9110 1.9545 1.9599 2.1701 2.2266 2.3908 2.4436 2.7284 2.7352 2.8690 2.9105 3.3949 3.4207 3.4840 3.5123 3.6453 3.6661 3.7225 3.7301 3.9159 3.9792 4.0160 4.0295 4.2117 4.2602 4.3247 4.3792 4.5568 4.5968 4.6687 4.7021 6.9187 7.0764 9.0048 9.1092 9.5425 9.6181 9.7452 9.8232 10.1319 10.2838 10.3598 10.4483 k = 0.0000 0.5000 0.3240 ( 10268 PWs) bands (ev): -8.0425 -8.0422 -8.0298 -8.0271 -7.7992 -7.7992 -7.7595 -7.7569 -2.9332 -2.9067 -2.8985 -2.8857 -1.4725 -1.3792 -1.2590 -1.2564 -1.1889 -1.1884 -0.6318 -0.5672 0.3701 0.4415 0.6501 0.6666 0.9523 0.9941 1.3539 1.4577 1.6128 1.7106 1.8163 1.9068 1.9408 1.9446 2.1809 2.2324 2.3995 2.4472 2.7319 2.7383 2.8803 2.9205 3.3956 3.4214 3.4910 3.5158 3.6503 3.6689 3.7249 3.7306 3.9079 3.9666 3.9996 4.0135 4.2314 4.2845 4.3406 4.3944 4.5649 4.6030 4.6673 4.7044 6.9103 7.0596 8.9940 9.0748 9.6112 9.7172 9.7454 9.8154 10.1633 10.3226 10.4117 10.5099 k = 0.0000 0.5000 0.3431 ( 10252 PWs) bands (ev): -8.0331 -8.0326 -8.0253 -8.0229 -7.8090 -7.8090 -7.7640 -7.7614 -2.9309 -2.9066 -2.8992 -2.8869 -1.4688 -1.3830 -1.2571 -1.2502 -1.1919 -1.1883 -0.6275 -0.5681 0.3543 0.4177 0.6428 0.6573 0.9624 1.0006 1.3489 1.4402 1.6160 1.7203 1.8171 1.9019 1.9210 1.9344 2.1914 2.2373 2.4076 2.4503 2.7349 2.7408 2.8910 2.9290 3.3963 3.4210 3.4979 3.5189 3.6554 3.6714 3.7286 3.7318 3.8999 3.9539 3.9844 3.9981 4.2528 4.3094 4.3578 4.4104 4.5719 4.6074 4.6640 4.7050 6.9030 7.0419 8.9760 9.0407 9.6809 9.7559 9.8053 9.8149 10.1951 10.3649 10.4616 10.5670 k = 0.0000 0.5000 0.3621 ( 10268 PWs) bands (ev): -8.0244 -8.0230 -8.0202 -8.0188 -7.8189 -7.8188 -7.7682 -7.7658 -2.9284 -2.9068 -2.8998 -2.8882 -1.4648 -1.3875 -1.2548 -1.2439 -1.1957 -1.1882 -0.6228 -0.5694 0.3402 0.3955 0.6359 0.6485 0.9733 1.0079 1.3435 1.4227 1.6216 1.7300 1.8181 1.8960 1.9014 1.9241 2.2012 2.2413 2.4151 2.4527 2.7374 2.7428 2.9009 2.9358 3.3970 3.4200 3.5042 3.5217 3.6603 3.6735 3.7332 3.7337 3.8924 3.9413 3.9706 3.9837 4.2755 4.3342 4.3759 4.4268 4.5779 4.6098 4.6589 4.7038 6.8973 7.0237 8.9550 9.0082 9.7169 9.8000 9.8048 9.8996 10.2279 10.4096 10.5098 10.5661 k = 0.0000 0.5000 0.3812 ( 10258 PWs) bands (ev): -8.0187 -8.0161 -8.0125 -8.0123 -7.8286 -7.8286 -7.7720 -7.7698 -2.9259 -2.9071 -2.9002 -2.8895 -1.4603 -1.3925 -1.2522 -1.2376 -1.1997 -1.1885 -0.6179 -0.5710 0.3280 0.3753 0.6296 0.6403 0.9846 1.0153 1.3380 1.4054 1.6296 1.7397 1.8185 1.8832 1.8888 1.9144 2.2102 2.2444 2.4221 2.4545 2.7395 2.7443 2.9099 2.9410 3.3978 3.4186 3.5098 3.5241 3.6649 3.6754 3.7363 3.7384 3.8855 3.9292 3.9583 3.9703 4.2990 4.3580 4.3946 4.4426 4.5830 4.6102 4.6522 4.7008 6.8932 7.0052 8.9340 8.9779 9.7253 9.7928 9.8800 9.9742 10.2624 10.4494 10.5584 10.5596 k = 0.0000 0.5000 0.4002 ( 10250 PWs) bands (ev): -8.0149 -8.0125 -8.0034 -8.0033 -7.8380 -7.8380 -7.7754 -7.7734 -2.9235 -2.9076 -2.9004 -2.8909 -1.4555 -1.3979 -1.2492 -1.2316 -1.2037 -1.1894 -0.6128 -0.5730 0.3179 0.3572 0.6241 0.6329 0.9958 1.0224 1.3328 1.3889 1.6400 1.7489 1.8164 1.8686 1.8799 1.9054 2.2184 2.2467 2.4284 2.4556 2.7412 2.7453 2.9180 2.9447 3.3987 3.4168 3.5146 3.5259 3.6690 3.6770 3.7395 3.7437 3.8797 3.9177 3.9478 3.9583 4.3228 4.3799 4.4133 4.4572 4.5877 4.6088 4.6446 4.6960 6.8911 6.9871 8.9148 8.9507 9.7292 9.7857 9.9528 10.0339 10.2995 10.4676 10.5721 10.6114 k = 0.0000 0.5000 0.4193 ( 10252 PWs) bands (ev): -8.0117 -8.0098 -7.9947 -7.9947 -7.8468 -7.8468 -7.7783 -7.7766 -2.9210 -2.9083 -2.9003 -2.8924 -1.4504 -1.4036 -1.2458 -1.2264 -1.2074 -1.1908 -0.6077 -0.5754 0.3101 0.3414 0.6196 0.6265 1.0064 1.0286 1.3284 1.3734 1.6526 1.7563 1.8105 1.8605 1.8696 1.8974 2.2255 2.2480 2.4342 2.4561 2.7426 2.7460 2.9251 2.9470 3.3999 3.4148 3.5186 3.5273 3.6725 3.6783 3.7430 3.7486 3.8752 3.9071 3.9390 3.9479 4.3460 4.3987 4.4317 4.4697 4.5916 4.6056 4.6373 4.6893 6.8910 6.9696 8.8985 8.9270 9.7328 9.7787 10.0142 10.0777 10.3383 10.4645 10.6010 10.6687 k = 0.0000 0.5000 0.4383 ( 10244 PWs) bands (ev): -8.0091 -8.0076 -7.9870 -7.9869 -7.8546 -7.8546 -7.7805 -7.7793 -2.9187 -2.9092 -2.9001 -2.8938 -1.4450 -1.4095 -1.2422 -1.2230 -1.2096 -1.1927 -0.6027 -0.5782 0.3048 0.3282 0.6161 0.6213 1.0162 1.0335 1.3255 1.3594 1.6672 1.7587 1.8043 1.8582 1.8589 1.8902 2.2317 2.2484 2.4393 2.4558 2.7437 2.7463 2.9313 2.9480 3.4012 3.4127 3.5219 3.5282 3.6754 3.6793 3.7467 3.7524 3.8724 3.8974 3.9323 3.9392 4.3680 4.4128 4.4492 4.4794 4.5939 4.6012 4.6327 4.6809 6.8932 6.9532 8.8860 8.9074 9.7368 9.7718 10.0609 10.1068 10.3746 10.4557 10.6311 10.6825 k = 0.0000 0.5000 0.4574 ( 10248 PWs) bands (ev): -8.0071 -8.0061 -7.9807 -7.9807 -7.8609 -7.8609 -7.7822 -7.7813 -2.9166 -2.9102 -2.8995 -2.8952 -1.4393 -1.4155 -1.2383 -1.2233 -1.2086 -1.1952 -0.5979 -0.5814 0.3019 0.3175 0.6138 0.6172 1.0245 1.0364 1.3246 1.3474 1.6834 1.7513 1.8050 1.8463 1.8612 1.8834 2.2369 2.2480 2.4438 2.4548 2.7446 2.7464 2.9365 2.9477 3.4028 3.4106 3.5245 3.5286 3.6776 3.6800 3.7502 3.7549 3.8716 3.8890 3.9277 3.9324 4.3876 4.4208 4.4648 4.4859 4.5931 4.5963 4.6337 4.6712 6.8977 6.9382 8.8778 8.8920 9.7414 9.7651 10.0935 10.1232 10.4033 10.4477 10.6575 10.6950 k = 0.0000 0.5000 0.4765 ( 10250 PWs) bands (ev): -8.0058 -8.0053 -7.9766 -7.9766 -7.8651 -7.8651 -7.7831 -7.7826 -2.9147 -2.9115 -2.8988 -2.8966 -1.4335 -1.4215 -1.2343 -1.2263 -1.2053 -1.1982 -0.5933 -0.5850 0.3018 0.3095 0.6127 0.6144 1.0310 1.0371 1.3262 1.3376 1.7009 1.7365 1.8124 1.8343 1.8656 1.8770 2.2411 2.2466 2.4476 2.4531 2.7453 2.7462 2.9407 2.9464 3.4046 3.4085 3.5264 3.5284 3.6791 3.6803 3.7531 3.7558 3.8730 3.8820 3.9254 3.9278 4.4040 4.4217 4.4775 4.4884 4.5906 4.5920 4.6403 4.6607 6.9045 6.9249 8.8742 8.8813 9.7467 9.7586 10.1145 10.1291 10.4221 10.4409 10.6791 10.7024 k = 0.0000 0.5000 0.4955 ( 10248 PWs) bands (ev): -8.0052 -8.0052 -7.9751 -7.9751 -7.8665 -7.8665 -7.7832 -7.7832 -2.9130 -2.9130 -2.8978 -2.8978 -1.4275 -1.4275 -1.2302 -1.2302 -1.2016 -1.2016 -0.5890 -0.5890 0.3043 0.3043 0.6129 0.6129 1.0352 1.0352 1.3305 1.3305 1.7189 1.7189 1.8227 1.8227 1.8710 1.8710 2.2443 2.2443 2.4507 2.4507 2.7458 2.7458 2.9441 2.9441 3.4065 3.4065 3.5277 3.5277 3.6800 3.6800 3.7551 3.7551 3.8765 3.8765 3.9254 3.9254 4.4158 4.4158 4.4857 4.4857 4.5898 4.5898 4.6499 4.6499 6.9136 6.9136 8.8753 8.8753 9.7524 9.7524 10.1261 10.1261 10.4334 10.4334 10.6950 10.6950 k = 0.5000 0.5000-0.0000 ( 10240 PWs) bands (ev): -7.9282 -7.9282 -7.9258 -7.9258 -7.9186 -7.9186 -7.8587 -7.8587 -2.9271 -2.9271 -2.9038 -2.9038 -1.4885 -1.4885 -1.2585 -1.2585 -1.2123 -1.2123 -0.4020 -0.4020 0.4120 0.4120 0.5543 0.5543 1.0671 1.0671 1.3786 1.3786 1.5652 1.5652 1.8479 1.8479 1.8811 1.8811 2.0849 2.0849 2.3884 2.3884 2.7330 2.7330 2.8000 2.8000 3.4213 3.4213 3.4452 3.4452 3.6726 3.6726 3.9450 3.9450 3.9904 3.9904 4.1228 4.1228 4.4332 4.4332 4.4499 4.4499 4.5218 4.5218 4.6846 4.6846 7.3060 7.3060 8.8212 8.8212 8.8298 8.8298 9.4508 9.4508 10.4523 10.4523 10.6476 10.6476 k = 0.5000 0.5000 0.0191 ( 10248 PWs) bands (ev): -7.9282 -7.9282 -7.9258 -7.9258 -7.9187 -7.9187 -7.8586 -7.8586 -2.9269 -2.9269 -2.9037 -2.9037 -1.4881 -1.4881 -1.2584 -1.2584 -1.2122 -1.2122 -0.4048 -0.4048 0.4088 0.4088 0.5507 0.5507 1.0681 1.0681 1.3818 1.3818 1.5675 1.5675 1.8484 1.8484 1.8817 1.8817 2.0832 2.0832 2.3923 2.3923 2.7333 2.7333 2.8004 2.8004 3.4213 3.4213 3.4453 3.4453 3.6729 3.6729 3.9459 3.9459 3.9916 3.9916 4.1236 4.1236 4.4333 4.4333 4.4506 4.4506 4.5220 4.5220 4.6845 4.6845 7.2996 7.2996 8.8174 8.8174 8.8261 8.8261 9.4547 9.4547 10.4478 10.4478 10.6419 10.6419 k = 0.5000 0.5000 0.0381 ( 10256 PWs) bands (ev): -7.9281 -7.9281 -7.9257 -7.9257 -7.9188 -7.9188 -7.8582 -7.8582 -2.9266 -2.9266 -2.9034 -2.9034 -1.4870 -1.4870 -1.2579 -1.2579 -1.2119 -1.2119 -0.4132 -0.4132 0.3994 0.3994 0.5401 0.5401 1.0711 1.0711 1.3910 1.3910 1.5743 1.5743 1.8498 1.8498 1.8836 1.8836 2.0788 2.0788 2.4033 2.4033 2.7341 2.7341 2.8016 2.8016 3.4212 3.4212 3.4455 3.4455 3.6738 3.6738 3.9484 3.9484 3.9951 3.9951 4.1262 4.1262 4.4339 4.4339 4.4526 4.4526 4.5228 4.5228 4.6845 4.6845 7.2808 7.2808 8.8058 8.8058 8.8148 8.8148 9.4661 9.4661 10.4351 10.4351 10.6259 10.6259 k = 0.5000 0.5000 0.0572 ( 10260 PWs) bands (ev): -7.9281 -7.9281 -7.9257 -7.9257 -7.9191 -7.9191 -7.8575 -7.8575 -2.9260 -2.9260 -2.9029 -2.9029 -1.4851 -1.4851 -1.2571 -1.2571 -1.2112 -1.2112 -0.4269 -0.4269 0.3844 0.3844 0.5229 0.5229 1.0755 1.0755 1.4056 1.4056 1.5855 1.5855 1.8522 1.8522 1.8867 1.8867 2.0731 2.0731 2.4204 2.4204 2.7353 2.7353 2.8035 2.8035 3.4212 3.4212 3.4459 3.4459 3.6754 3.6754 3.9527 3.9527 4.0010 4.0010 4.1304 4.1304 4.4349 4.4349 4.4560 4.4560 4.5242 4.5242 4.6845 4.6845 7.2501 7.2501 8.7865 8.7865 8.7964 8.7964 9.4844 9.4844 10.4164 10.4164 10.6025 10.6025 k = 0.5000 0.5000 0.0762 ( 10244 PWs) bands (ev): -7.9280 -7.9280 -7.9256 -7.9256 -7.9194 -7.9194 -7.8566 -7.8566 -2.9252 -2.9252 -2.9023 -2.9023 -1.4825 -1.4825 -1.2561 -1.2561 -1.2104 -1.2104 -0.4454 -0.4454 0.3645 0.3645 0.5000 0.5000 1.0807 1.0807 1.4244 1.4244 1.6005 1.6005 1.8555 1.8555 1.8907 1.8907 2.0680 2.0680 2.4418 2.4418 2.7371 2.7371 2.8061 2.8061 3.4213 3.4213 3.4464 3.4464 3.6777 3.6777 3.9586 3.9586 4.0090 4.0090 4.1362 4.1362 4.4365 4.4365 4.4607 4.4607 4.5261 4.5261 4.6844 4.6844 7.2083 7.2083 8.7597 8.7597 8.7711 8.7711 9.5087 9.5087 10.3943 10.3943 10.5753 10.5753 k = 0.5000 0.5000 0.0953 ( 10248 PWs) bands (ev): -7.9278 -7.9278 -7.9254 -7.9254 -7.9198 -7.9198 -7.8554 -7.8554 -2.9242 -2.9242 -2.9014 -2.9014 -1.4792 -1.4792 -1.2548 -1.2548 -1.2092 -1.2092 -0.4682 -0.4682 0.3405 0.3405 0.4722 0.4722 1.0856 1.0856 1.4462 1.4462 1.6189 1.6189 1.8598 1.8598 1.8954 1.8954 2.0655 2.0655 2.4662 2.4662 2.7394 2.7394 2.8095 2.8095 3.4214 3.4214 3.4470 3.4470 3.6807 3.6807 3.9661 3.9661 4.0191 4.0191 4.1433 4.1433 4.4388 4.4388 4.4668 4.4668 4.5287 4.5287 4.6844 4.6844 7.1565 7.1565 8.7255 8.7255 8.7392 8.7392 9.5379 9.5379 10.3717 10.3717 10.5473 10.5473 k = 0.5000 0.5000 0.1144 ( 10260 PWs) bands (ev): -7.9277 -7.9277 -7.9253 -7.9253 -7.9202 -7.9202 -7.8541 -7.8541 -2.9230 -2.9230 -2.9004 -2.9004 -1.4751 -1.4751 -1.2532 -1.2532 -1.2079 -1.2079 -0.4946 -0.4946 0.3132 0.3132 0.4404 0.4404 1.0895 1.0895 1.4698 1.4698 1.6401 1.6401 1.8652 1.8652 1.9005 1.9005 2.0672 2.0672 2.4924 2.4924 2.7421 2.7421 2.8135 2.8135 3.4217 3.4217 3.4476 3.4476 3.6847 3.6847 3.9749 3.9749 4.0310 4.0310 4.1517 4.1517 4.4418 4.4418 4.4743 4.4743 4.5318 4.5318 4.6843 4.6843 7.0959 7.0959 8.6845 8.6845 8.7011 8.7011 9.5709 9.5709 10.3507 10.3507 10.5209 10.5209 k = 0.5000 0.5000 0.1334 ( 10260 PWs) bands (ev): -7.9275 -7.9275 -7.9251 -7.9251 -7.9207 -7.9207 -7.8526 -7.8526 -2.9216 -2.9216 -2.8992 -2.8992 -1.4704 -1.4704 -1.2513 -1.2513 -1.2062 -1.2062 -0.5240 -0.5240 0.2834 0.2834 0.4055 0.4055 1.0917 1.0917 1.4938 1.4938 1.6634 1.6634 1.8718 1.8718 1.9054 1.9054 2.0745 2.0745 2.5193 2.5193 2.7453 2.7453 2.8183 2.8183 3.4221 3.4221 3.4483 3.4483 3.6897 3.6897 3.9852 3.9852 4.0443 4.0443 4.1613 4.1613 4.4458 4.4458 4.4833 4.4833 4.5356 4.5356 4.6843 4.6843 7.0278 7.0278 8.6374 8.6374 8.6573 8.6573 9.6064 9.6064 10.3330 10.3330 10.4977 10.4977 k = 0.5000 0.5000 0.1525 ( 10260 PWs) bands (ev): -7.9273 -7.9273 -7.9250 -7.9250 -7.9212 -7.9212 -7.8510 -7.8510 -2.9200 -2.9200 -2.8979 -2.8979 -1.4650 -1.4650 -1.2493 -1.2493 -1.2044 -1.2044 -0.5557 -0.5557 0.2518 0.2518 0.3684 0.3684 1.0915 1.0915 1.5172 1.5172 1.6878 1.6878 1.8796 1.8796 1.9102 1.9102 2.0883 2.0883 2.5462 2.5462 2.7490 2.7490 2.8236 2.8236 3.4227 3.4227 3.4490 3.4490 3.6958 3.6958 3.9966 3.9966 4.0589 4.0589 4.1717 4.1717 4.4507 4.4507 4.4938 4.4938 4.5403 4.5403 4.6844 4.6844 6.9533 6.9533 8.5847 8.5847 8.6085 8.6085 9.6433 9.6433 10.3198 10.3198 10.4786 10.4786 k = 0.5000 0.5000 0.1715 ( 10268 PWs) bands (ev): -7.9272 -7.9272 -7.9249 -7.9249 -7.9216 -7.9216 -7.8492 -7.8492 -2.9183 -2.9183 -2.8965 -2.8965 -1.4590 -1.4590 -1.2470 -1.2470 -1.2023 -1.2023 -0.5891 -0.5891 0.2191 0.2191 0.3298 0.3298 1.0888 1.0888 1.5392 1.5392 1.7125 1.7125 1.8887 1.8887 1.9151 1.9151 2.1085 2.1085 2.5725 2.5725 2.7531 2.7531 2.8295 2.8295 3.4235 3.4235 3.4496 3.4496 3.7031 3.7031 4.0090 4.0090 4.0742 4.0742 4.1828 4.1828 4.4569 4.4569 4.5057 4.5057 4.5459 4.5459 4.6846 4.6846 6.8737 6.8737 8.5274 8.5274 8.5552 8.5552 9.6805 9.6805 10.3116 10.3116 10.4639 10.4639 k = 0.5000 0.5000 0.1906 ( 10276 PWs) bands (ev): -7.9269 -7.9269 -7.9248 -7.9248 -7.9219 -7.9219 -7.8474 -7.8474 -2.9164 -2.9164 -2.8950 -2.8950 -1.4524 -1.4524 -1.2445 -1.2445 -1.1999 -1.1999 -0.6236 -0.6236 0.1859 0.1859 0.2904 0.2904 1.0836 1.0836 1.5592 1.5592 1.7364 1.7364 1.8988 1.8988 1.9210 1.9210 2.1347 2.1347 2.5977 2.5977 2.7577 2.7577 2.8359 2.8359 3.4246 3.4246 3.4502 3.4502 3.7119 3.7119 4.0222 4.0222 4.0899 4.0899 4.1945 4.1945 4.4642 4.4642 4.5187 4.5187 4.5530 4.5530 4.6849 4.6849 6.7900 6.7900 8.4663 8.4663 8.4985 8.4985 9.7169 9.7169 10.3084 10.3084 10.4538 10.4538 k = 0.5000 0.5000 0.2096 ( 10260 PWs) bands (ev): -7.9267 -7.9267 -7.9248 -7.9248 -7.9222 -7.9222 -7.8455 -7.8455 -2.9144 -2.9144 -2.8934 -2.8934 -1.4453 -1.4453 -1.2419 -1.2419 -1.1973 -1.1973 -0.6587 -0.6587 0.1526 0.1526 0.2506 0.2506 1.0760 1.0760 1.5769 1.5769 1.7585 1.7585 1.9098 1.9098 1.9287 1.9287 2.1659 2.1659 2.6215 2.6215 2.7627 2.7627 2.8427 2.8427 3.4259 3.4259 3.4508 3.4508 3.7223 3.7223 4.0359 4.0359 4.1057 4.1057 4.2064 4.2064 4.4728 4.4728 4.5320 4.5320 4.5622 4.5622 4.6855 4.6855 6.7033 6.7033 8.4023 8.4023 8.4390 8.4390 9.7516 9.7516 10.3093 10.3093 10.4479 10.4479 k = 0.5000 0.5000 0.2287 ( 10284 PWs) bands (ev): -7.9266 -7.9266 -7.9250 -7.9250 -7.9222 -7.9222 -7.8436 -7.8436 -2.9123 -2.9123 -2.8917 -2.8917 -1.4377 -1.4377 -1.2391 -1.2391 -1.1946 -1.1946 -0.6939 -0.6939 0.1196 0.1196 0.2112 0.2112 1.0664 1.0664 1.5921 1.5921 1.7780 1.7780 1.9212 1.9212 1.9389 1.9389 2.2012 2.2012 2.6436 2.6436 2.7681 2.7681 2.8497 2.8497 3.4274 3.4274 3.4513 3.4513 3.7344 3.7344 4.0496 4.0496 4.1213 4.1213 4.2185 4.2185 4.4825 4.4825 4.5447 4.5447 4.5746 4.5746 4.6865 4.6865 6.6145 6.6145 8.3364 8.3364 8.3779 8.3779 9.7839 9.7839 10.3123 10.3123 10.4459 10.4459 k = 0.5000 0.5000 0.2478 ( 10276 PWs) bands (ev): -7.9264 -7.9264 -7.9251 -7.9251 -7.9222 -7.9222 -7.8417 -7.8417 -2.9102 -2.9102 -2.8901 -2.8901 -1.4297 -1.4297 -1.2361 -1.2361 -1.1917 -1.1917 -0.7287 -0.7287 0.0874 0.0874 0.1723 0.1723 1.0553 1.0553 1.6050 1.6050 1.7943 1.7943 1.9331 1.9331 1.9513 1.9513 2.2393 2.2393 2.6639 2.6639 2.7740 2.7740 2.8568 2.8568 3.4291 3.4291 3.4519 3.4519 3.7483 3.7483 4.0630 4.0630 4.1364 4.1364 4.2305 4.2305 4.4931 4.4931 4.5563 4.5563 4.5905 4.5905 4.6880 4.6880 6.5245 6.5245 8.2695 8.2695 8.3158 8.3158 9.8129 9.8129 10.3131 10.3131 10.4476 10.4476 k = 0.5000 0.5000 0.2668 ( 10272 PWs) bands (ev): -7.9264 -7.9264 -7.9252 -7.9252 -7.9220 -7.9220 -7.8398 -7.8398 -2.9080 -2.9080 -2.8884 -2.8884 -1.4213 -1.4213 -1.2330 -1.2330 -1.1887 -1.1887 -0.7628 -0.7628 0.0563 0.0563 0.1346 0.1346 1.0430 1.0430 1.6156 1.6156 1.8075 1.8075 1.9459 1.9459 1.9652 1.9652 2.2791 2.2791 2.6823 2.6823 2.7804 2.7804 2.8638 2.8638 3.4310 3.4310 3.4523 3.4523 3.7642 3.7642 4.0757 4.0757 4.1510 4.1510 4.2423 4.2423 4.5042 4.5042 4.5674 4.5674 4.6092 4.6092 4.6904 4.6904 6.4343 6.4343 8.2026 8.2026 8.2539 8.2539 9.8383 9.8383 10.3049 10.3049 10.4532 10.4532 k = 0.5000 0.5000 0.2859 ( 10248 PWs) bands (ev): -7.9265 -7.9265 -7.9252 -7.9252 -7.9218 -7.9218 -7.8380 -7.8380 -2.9058 -2.9058 -2.8868 -2.8868 -1.4126 -1.4126 -1.2298 -1.2298 -1.1856 -1.1856 -0.7959 -0.7959 0.0266 0.0266 0.0982 0.0982 1.0300 1.0300 1.6244 1.6244 1.8176 1.8176 1.9597 1.9597 1.9797 1.9797 2.3195 2.3195 2.6986 2.6986 2.7872 2.7872 2.8706 2.8706 3.4331 3.4331 3.4528 3.4528 3.7820 3.7820 4.0872 4.0872 4.1652 4.1652 4.2537 4.2537 4.5152 4.5152 4.5784 4.5784 4.6297 4.6297 4.6940 4.6940 6.3449 6.3449 8.1366 8.1366 8.1928 8.1928 9.8594 9.8594 10.2837 10.2837 10.4633 10.4633 k = 0.5000 0.5000 0.3049 ( 10216 PWs) bands (ev): -7.9267 -7.9267 -7.9251 -7.9251 -7.9216 -7.9216 -7.8363 -7.8363 -2.9036 -2.9036 -2.8853 -2.8853 -1.4038 -1.4038 -1.2266 -1.2266 -1.1826 -1.1826 -0.8276 -0.8276 -0.0014 -0.0014 0.0636 0.0636 1.0169 1.0169 1.6315 1.6315 1.8254 1.8254 1.9739 1.9739 1.9941 1.9941 2.3592 2.3592 2.7131 2.7131 2.7945 2.7945 2.8769 2.8769 3.4351 3.4351 3.4532 3.4532 3.8019 3.8019 4.0972 4.0972 4.1788 4.1788 4.2646 4.2646 4.5258 4.5258 4.5894 4.5894 4.6510 4.6510 4.6995 4.6995 6.2571 6.2571 8.0725 8.0725 8.1335 8.1335 9.8760 9.8760 10.2533 10.2533 10.4762 10.4762 k = 0.5000 0.5000 0.3240 ( 10220 PWs) bands (ev): -7.9270 -7.9270 -7.9249 -7.9249 -7.9214 -7.9214 -7.8346 -7.8346 -2.9015 -2.9015 -2.8838 -2.8838 -1.3949 -1.3949 -1.2232 -1.2232 -1.1796 -1.1796 -0.8576 -0.8576 -0.0273 -0.0273 0.0311 0.0311 1.0038 1.0038 1.6372 1.6372 1.8313 1.8313 1.9882 1.9882 2.0080 2.0080 2.3973 2.3973 2.7257 2.7257 2.8024 2.8024 2.8826 2.8826 3.4372 3.4372 3.4535 3.4535 3.8234 3.8234 4.1055 4.1055 4.1921 4.1921 4.2749 4.2749 4.5356 4.5356 4.5997 4.5997 4.6722 4.6722 4.7076 4.7076 6.1720 6.1720 8.0110 8.0110 8.0769 8.0769 9.8876 9.8876 10.2205 10.2205 10.4890 10.4890 k = 0.5000 0.5000 0.3431 ( 10196 PWs) bands (ev): -7.9273 -7.9273 -7.9247 -7.9247 -7.9212 -7.9212 -7.8331 -7.8331 -2.8995 -2.8995 -2.8825 -2.8825 -1.3862 -1.3862 -1.2199 -1.2199 -1.1767 -1.1767 -0.8856 -0.8856 -0.0511 -0.0511 0.0008 0.0008 0.9913 0.9913 1.6418 1.6418 1.8357 1.8357 2.0021 2.0021 2.0209 2.0209 2.4329 2.4329 2.7364 2.7364 2.8107 2.8107 2.8875 2.8875 3.4393 3.4393 3.4538 3.4538 3.8465 3.8465 4.1119 4.1119 4.2048 4.2048 4.2845 4.2845 4.5445 4.5445 4.6084 4.6084 4.6924 4.6924 4.7188 4.7188 6.0905 6.0905 7.9531 7.9531 8.0236 8.0236 9.8941 9.8941 10.1902 10.1902 10.5012 10.5012 k = 0.5000 0.5000 0.3621 ( 10188 PWs) bands (ev): -7.9275 -7.9275 -7.9246 -7.9246 -7.9210 -7.9210 -7.8317 -7.8317 -2.8976 -2.8976 -2.8812 -2.8812 -1.3777 -1.3777 -1.2165 -1.2165 -1.1740 -1.1740 -0.9114 -0.9114 -0.0723 -0.0723 -0.0268 -0.0268 0.9796 0.9796 1.6455 1.6455 1.8391 1.8391 2.0152 2.0152 2.0325 2.0325 2.4652 2.4652 2.7455 2.7455 2.8195 2.8195 2.8914 2.8914 3.4412 3.4412 3.4541 3.4541 3.8706 3.8706 4.1166 4.1166 4.2169 4.2169 4.2933 4.2933 4.5528 4.5528 4.6149 4.6149 4.7110 4.7110 4.7331 4.7331 6.0139 6.0139 7.8995 7.8995 7.9745 7.9745 9.8955 9.8955 10.1650 10.1650 10.5131 10.5131 k = 0.5000 0.5000 0.3812 ( 10188 PWs) bands (ev): -7.9278 -7.9278 -7.9244 -7.9244 -7.9208 -7.9208 -7.8305 -7.8305 -2.8958 -2.8958 -2.8802 -2.8802 -1.3696 -1.3696 -1.2133 -1.2133 -1.1716 -1.1716 -0.9348 -0.9348 -0.0909 -0.0909 -0.0517 -0.0517 0.9690 0.9690 1.6484 1.6484 1.8417 1.8417 2.0271 2.0271 2.0428 2.0428 2.4938 2.4938 2.7531 2.7531 2.8285 2.8285 2.8942 2.8942 3.4430 3.4430 3.4543 3.4543 3.8949 3.8949 4.1195 4.1195 4.2283 4.2283 4.3013 4.3013 4.5605 4.5605 4.6188 4.6188 4.7281 4.7281 4.7491 4.7491 5.9435 5.9435 7.8512 7.8512 7.9302 7.9302 9.8922 9.8922 10.1459 10.1459 10.5243 10.5243 k = 0.5000 0.5000 0.4002 ( 10172 PWs) bands (ev): -7.9280 -7.9280 -7.9242 -7.9242 -7.9206 -7.9206 -7.8294 -7.8294 -2.8943 -2.8943 -2.8792 -2.8792 -1.3621 -1.3621 -1.2102 -1.2102 -1.1694 -1.1694 -0.9554 -0.9554 -0.1066 -0.1066 -0.0735 -0.0735 0.9597 0.9597 1.6506 1.6506 1.8438 1.8438 2.0376 2.0376 2.0515 2.0515 2.5182 2.5182 2.7593 2.7593 2.8376 2.8376 2.8959 2.8959 3.4446 3.4446 3.4545 3.4545 3.9187 3.9187 4.1210 4.1210 4.2388 4.2388 4.3083 4.3083 4.5678 4.5678 4.6206 4.6206 4.7438 4.7438 4.7649 4.7649 5.8804 5.8804 7.8088 7.8088 7.8915 7.8915 9.8855 9.8855 10.1325 10.1325 10.5345 10.5345 k = 0.5000 0.5000 0.4193 ( 10180 PWs) bands (ev): -7.9281 -7.9281 -7.9241 -7.9241 -7.9204 -7.9204 -7.8285 -7.8285 -2.8929 -2.8929 -2.8785 -2.8785 -1.3556 -1.3556 -1.2073 -1.2073 -1.1677 -1.1677 -0.9729 -0.9729 -0.1192 -0.1192 -0.0920 -0.0920 0.9518 0.9518 1.6523 1.6523 1.8453 1.8453 2.0466 2.0466 2.0585 2.0585 2.5382 2.5382 2.7641 2.7641 2.8465 2.8465 2.8963 2.8963 3.4459 3.4459 3.4547 3.4547 3.9409 3.9409 4.1211 4.1211 4.2482 4.2482 4.3141 4.3141 4.5748 4.5748 4.6203 4.6203 4.7578 4.7578 4.7791 4.7791 5.8262 5.8262 7.7730 7.7730 7.8589 7.8589 9.8770 9.8770 10.1239 10.1239 10.5434 10.5434 k = 0.5000 0.5000 0.4383 ( 10188 PWs) bands (ev): -7.9282 -7.9282 -7.9240 -7.9240 -7.9203 -7.9203 -7.8278 -7.8278 -2.8919 -2.8919 -2.8779 -2.8779 -1.3501 -1.3501 -1.2049 -1.2049 -1.1663 -1.1663 -0.9870 -0.9870 -0.1287 -0.1287 -0.1071 -0.1071 0.9455 0.9455 1.6536 1.6536 1.8464 1.8464 2.0538 2.0538 2.0639 2.0639 2.5537 2.5537 2.7678 2.7678 2.8549 2.8549 2.8956 2.8956 3.4470 3.4470 3.4548 3.4548 3.9602 3.9602 4.1203 4.1203 4.2562 4.2562 4.3186 4.3186 4.5815 4.5815 4.6186 4.6186 4.7696 4.7696 4.7908 4.7908 5.7822 5.7822 7.7445 7.7445 7.8329 7.8329 9.8686 9.8686 10.1187 10.1187 10.5507 10.5507 k = 0.5000 0.5000 0.4574 ( 10184 PWs) bands (ev): -7.9283 -7.9283 -7.9239 -7.9239 -7.9202 -7.9202 -7.8273 -7.8273 -2.8911 -2.8911 -2.8775 -2.8775 -1.3460 -1.3460 -1.2030 -1.2030 -1.1653 -1.1653 -0.9974 -0.9974 -0.1351 -0.1351 -0.1185 -0.1185 0.9410 0.9410 1.6544 1.6544 1.8472 1.8472 2.0592 2.0592 2.0676 2.0676 2.5647 2.5647 2.7704 2.7704 2.8622 2.8622 2.8940 2.8940 3.4478 3.4478 3.4549 3.4549 3.9754 3.9754 4.1190 4.1190 4.2624 4.2624 4.3218 4.3218 4.5877 4.5877 4.6157 4.6157 4.7784 4.7784 4.7995 4.7995 5.7497 5.7497 7.7237 7.7237 7.8141 7.8141 9.8615 9.8615 10.1158 10.1158 10.5560 10.5560 k = 0.5000 0.5000 0.4765 ( 10168 PWs) bands (ev): -7.9284 -7.9284 -7.9239 -7.9239 -7.9202 -7.9202 -7.8270 -7.8270 -2.8906 -2.8906 -2.8772 -2.8772 -1.3434 -1.3434 -1.2018 -1.2018 -1.1647 -1.1647 -1.0037 -1.0037 -0.1385 -0.1385 -0.1258 -0.1258 0.9382 0.9382 1.6549 1.6549 1.8476 1.8476 2.0625 2.0625 2.0698 2.0698 2.5713 2.5713 2.7720 2.7720 2.8676 2.8676 2.8921 2.8921 3.4483 3.4483 3.4549 3.4549 3.9852 3.9852 4.1178 4.1178 4.2664 4.2664 4.3237 4.3237 4.5928 4.5928 4.6126 4.6126 4.7840 4.7840 4.8049 4.8049 5.7297 5.7297 7.7111 7.7111 7.8026 7.8026 9.8569 9.8569 10.1144 10.1144 10.5593 10.5593 k = 0.5000 0.5000 0.4955 ( 10160 PWs) bands (ev): -7.9284 -7.9284 -7.9239 -7.9239 -7.9202 -7.9202 -7.8269 -7.8269 -2.8904 -2.8904 -2.8771 -2.8771 -1.3426 -1.3426 -1.2014 -1.2014 -1.1645 -1.1645 -1.0059 -1.0059 -0.1395 -0.1395 -0.1284 -0.1284 0.9373 0.9373 1.6551 1.6551 1.8478 1.8478 2.0637 2.0637 2.0704 2.0704 2.5735 2.5735 2.7725 2.7725 2.8697 2.8697 2.8911 2.8911 3.4484 3.4484 3.4549 3.4549 3.9887 3.9887 4.1173 4.1173 4.2678 4.2678 4.3243 4.3243 4.5951 4.5951 4.6109 4.6109 4.7859 4.7859 4.8067 4.8067 5.7230 5.7230 7.7069 7.7069 7.7988 7.7988 9.8553 9.8553 10.1140 10.1140 10.5604 10.5604 Writing output data file Cu2HgI4.save init_run : 4.71s CPU 12.61s WALL ( 1 calls) electrons : 1937.58s CPU 1955.42s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.46s WALL ( 1 calls) Called by electrons: c_bands : 1937.50s CPU 1955.18s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.70s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.04s CPU 0.54s WALL ( 1 calls) newd : 0.57s CPU 0.86s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.20s WALL ( 265 calls) cegterg : 1847.27s CPU 1861.47s WALL ( 661 calls) Called by sum_band: Called by *egterg: h_psi : 913.89s CPU 923.24s WALL ( 11678 calls) s_psi : 68.20s CPU 68.49s WALL ( 11678 calls) g_psi : 2.73s CPU 2.72s WALL ( 10752 calls) cdiaghg : 557.18s CPU 555.10s WALL ( 11017 calls) cegterg:over : 172.58s CPU 170.46s WALL ( 10752 calls) cegterg:upda : 72.55s CPU 75.37s WALL ( 10752 calls) cegterg:last : 61.92s CPU 62.66s WALL ( 2150 calls) Called by h_psi: h_psi:vloc : 754.68s CPU 761.38s WALL ( 11678 calls) h_psi:vnl : 157.56s CPU 159.33s WALL ( 11678 calls) add_vuspsi : 63.02s CPU 66.70s WALL ( 11678 calls) General routines calbec : 94.50s CPU 92.48s WALL ( 11678 calls) fft : 0.19s CPU 0.99s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 710.03s CPU 715.28s WALL ( 1902412 calls) interpolate : 0.10s CPU 0.32s WALL ( 4 calls) davcio : 0.02s CPU 2.98s WALL ( 530 calls) Parallel routines fft_scatter : 422.07s CPU 421.77s WALL ( 1902435 calls) PWSCF : 33m52.46s CPU 37m 2.17s WALL This run was terminated on: 6:16:45 18Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=