Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 11:15:20 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AlI3.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 70 68 18 4016 3749 547 Max 71 69 19 4026 3763 555 Sum 2555 2455 675 144835 135195 19881 bravais-lattice index = 14 lattice parameter (alat) = 11.4687 a.u. unit-cell volume = 4445.0892 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 2 number of electrons = 96.00 number of Kohn-Sham states= 116 kinetic-energy cutoff = 37.0000 Ry charge density cutoff = 155.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.468747 celldm(2)= 1.580326 celldm(3)= 1.961114 celldm(4)= 0.309847 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 1.580326 0.000000 ) a(3) = ( 0.000000 0.607645 1.864601 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.632781 -0.206214 ) b(3) = ( 0.000000 0.000000 0.536308 ) PseudoPot. # 1 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 I 7.00 126.90450 I( 1.00) Al 3.00 26.98150 Al( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 177 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0056497 k( 2) = ( 0.0000000 0.0000000 0.0191539), wk = 0.0056497 k( 3) = ( 0.0000000 0.0000000 0.0383077), wk = 0.0056497 k( 4) = ( 0.0000000 0.0000000 0.0574616), wk = 0.0056497 k( 5) = ( 0.0000000 0.0000000 0.0766154), wk = 0.0056497 k( 6) = ( 0.0000000 0.0000000 0.0957693), wk = 0.0056497 k( 7) = ( 0.0000000 0.0000000 0.1149231), wk = 0.0056497 k( 8) = ( 0.0000000 0.0000000 0.1340770), wk = 0.0056497 k( 9) = ( 0.0000000 0.0000000 0.1532308), wk = 0.0056497 k( 10) = ( 0.0000000 0.0000000 0.1723847), wk = 0.0056497 k( 11) = ( 0.0000000 0.0000000 0.1915385), wk = 0.0056497 k( 12) = ( 0.0000000 0.0000000 0.2106924), wk = 0.0056497 k( 13) = ( 0.0000000 0.0000000 0.2298462), wk = 0.0056497 k( 14) = ( 0.0000000 0.0000000 0.2490001), wk = 0.0056497 k( 15) = ( 0.0000000 0.0000000 0.2681539), wk = 0.0056497 k( 16) = ( 0.0000000 0.0000000 0.2681539), wk = 0.0056497 k( 17) = ( 0.0000000 0.0187574 0.2681539), wk = 0.0056497 k( 18) = ( 0.0000000 0.0375149 0.2681539), wk = 0.0056497 k( 19) = ( 0.0000000 0.0562723 0.2681539), wk = 0.0056497 k( 20) = ( 0.0000000 0.0750297 0.2681540), wk = 0.0056497 k( 21) = ( 0.0000000 0.0937871 0.2681539), wk = 0.0056497 k( 22) = ( 0.0000000 0.1125446 0.2681539), wk = 0.0056497 k( 23) = ( 0.0000000 0.1313020 0.2681539), wk = 0.0056497 k( 24) = ( 0.0000000 0.1500594 0.2681539), wk = 0.0056497 k( 25) = ( 0.0000000 0.1688169 0.2681539), wk = 0.0056497 k( 26) = ( 0.0000000 0.1875743 0.2681540), wk = 0.0056497 k( 27) = ( 0.0000000 0.2063317 0.2681539), wk = 0.0056497 k( 28) = ( 0.0000000 0.2250892 0.2681539), wk = 0.0056497 k( 29) = ( 0.0000000 0.2438466 0.2681539), wk = 0.0056497 k( 30) = ( 0.0000000 0.2626040 0.2681539), wk = 0.0056497 k( 31) = ( 0.0000000 0.2626040 0.2681539), wk = 0.0056497 k( 32) = ( 0.0000000 0.2702878 0.2534244), wk = 0.0056497 k( 33) = ( 0.0000000 0.2779715 0.2386949), wk = 0.0056497 k( 34) = ( 0.0000000 0.2856553 0.2239653), wk = 0.0056497 k( 35) = ( 0.0000000 0.2933391 0.2092358), wk = 0.0056497 k( 36) = ( 0.0000000 0.3010228 0.1945062), wk = 0.0056497 k( 37) = ( 0.0000000 0.3087066 0.1797767), wk = 0.0056497 k( 38) = ( 0.0000000 0.3163904 0.1650471), wk = 0.0056497 k( 39) = ( 0.0000000 0.3163904 0.1650471), wk = 0.0056497 k( 40) = ( 0.0192308 0.3163904 0.1650471), wk = 0.0056497 k( 41) = ( 0.0384615 0.3163904 0.1650471), wk = 0.0056497 k( 42) = ( 0.0576923 0.3163904 0.1650471), wk = 0.0056497 k( 43) = ( 0.0769231 0.3163904 0.1650471), wk = 0.0056497 k( 44) = ( 0.0961538 0.3163904 0.1650471), wk = 0.0056497 k( 45) = ( 0.1153846 0.3163904 0.1650471), wk = 0.0056497 k( 46) = ( 0.1346154 0.3163904 0.1650471), wk = 0.0056497 k( 47) = ( 0.1538461 0.3163904 0.1650471), wk = 0.0056497 k( 48) = ( 0.1730769 0.3163904 0.1650471), wk = 0.0056497 k( 49) = ( 0.1923077 0.3163904 0.1650471), wk = 0.0056497 k( 50) = ( 0.2115385 0.3163904 0.1650471), wk = 0.0056497 k( 51) = ( 0.2307692 0.3163904 0.1650471), wk = 0.0056497 k( 52) = ( 0.2500000 0.3163904 0.1650471), wk = 0.0056497 k( 53) = ( 0.2692308 0.3163904 0.1650471), wk = 0.0056497 k( 54) = ( 0.2884615 0.3163904 0.1650471), wk = 0.0056497 k( 55) = ( 0.3076923 0.3163904 0.1650471), wk = 0.0056497 k( 56) = ( 0.3269231 0.3163904 0.1650471), wk = 0.0056497 k( 57) = ( 0.3461538 0.3163904 0.1650471), wk = 0.0056497 k( 58) = ( 0.3653846 0.3163904 0.1650471), wk = 0.0056497 k( 59) = ( 0.3846154 0.3163904 0.1650471), wk = 0.0056497 k( 60) = ( 0.4038462 0.3163904 0.1650471), wk = 0.0056497 k( 61) = ( 0.4230769 0.3163904 0.1650471), wk = 0.0056497 k( 62) = ( 0.4423077 0.3163904 0.1650471), wk = 0.0056497 k( 63) = ( 0.4615385 0.3163904 0.1650471), wk = 0.0056497 k( 64) = ( 0.4807692 0.3163904 0.1650471), wk = 0.0056497 k( 65) = ( 0.5000000 0.3163904 0.1650471), wk = 0.0056497 k( 66) = ( 0.5000000 0.3163904 0.1650471), wk = 0.0056497 k( 67) = ( 0.5000000 0.3240741 0.1503176), wk = 0.0056497 k( 68) = ( 0.5000000 0.3317579 0.1355881), wk = 0.0056497 k( 69) = ( 0.5000000 0.3394417 0.1208585), wk = 0.0056497 k( 70) = ( 0.5000000 0.3471254 0.1061290), wk = 0.0056497 k( 71) = ( 0.5000000 0.3548092 0.0913994), wk = 0.0056497 k( 72) = ( 0.5000000 0.3624930 0.0766699), wk = 0.0056497 k( 73) = ( 0.5000000 0.3701767 0.0619404), wk = 0.0056497 k( 74) = ( 0.5000000 0.3701767 0.0619404), wk = 0.0056497 k( 75) = ( 0.5000000 0.3642005 0.0436018), wk = 0.0056497 k( 76) = ( 0.5000000 0.3582242 0.0252632), wk = 0.0056497 k( 77) = ( 0.5000000 0.3522479 0.0069246), wk = 0.0056497 k( 78) = ( 0.5000000 0.3462717 -0.0114139), wk = 0.0056497 k( 79) = ( 0.5000000 0.3402954 -0.0297525), wk = 0.0056497 k( 80) = ( 0.5000000 0.3343192 -0.0480911), wk = 0.0056497 k( 81) = ( 0.5000000 0.3283429 -0.0664297), wk = 0.0056497 k( 82) = ( 0.5000000 0.3223666 -0.0847682), wk = 0.0056497 k( 83) = ( 0.5000000 0.3163904 -0.1031068), wk = 0.0056497 k( 84) = ( 0.5000000 0.3163904 -0.1031068), wk = 0.0056497 k( 85) = ( 0.4807692 0.3163904 -0.1031068), wk = 0.0056497 k( 86) = ( 0.4615385 0.3163904 -0.1031068), wk = 0.0056497 k( 87) = ( 0.4423077 0.3163904 -0.1031068), wk = 0.0056497 k( 88) = ( 0.4230769 0.3163904 -0.1031068), wk = 0.0056497 k( 89) = ( 0.4038462 0.3163904 -0.1031068), wk = 0.0056497 k( 90) = ( 0.3846154 0.3163904 -0.1031068), wk = 0.0056497 k( 91) = ( 0.3653846 0.3163904 -0.1031068), wk = 0.0056497 k( 92) = ( 0.3461538 0.3163904 -0.1031068), wk = 0.0056497 k( 93) = ( 0.3269231 0.3163904 -0.1031068), wk = 0.0056497 k( 94) = ( 0.3076923 0.3163904 -0.1031068), wk = 0.0056497 k( 95) = ( 0.2884615 0.3163904 -0.1031068), wk = 0.0056497 k( 96) = ( 0.2692308 0.3163904 -0.1031068), wk = 0.0056497 k( 97) = ( 0.2500000 0.3163904 -0.1031068), wk = 0.0056497 k( 98) = ( 0.2307692 0.3163904 -0.1031068), wk = 0.0056497 k( 99) = ( 0.2115385 0.3163904 -0.1031068), wk = 0.0056497 k( 100) = ( 0.1923077 0.3163904 -0.1031068), wk = 0.0056497 k( 101) = ( 0.1730769 0.3163904 -0.1031068), wk = 0.0056497 k( 102) = ( 0.1538461 0.3163904 -0.1031068), wk = 0.0056497 k( 103) = ( 0.1346154 0.3163904 -0.1031068), wk = 0.0056497 k( 104) = ( 0.1153846 0.3163904 -0.1031068), wk = 0.0056497 k( 105) = ( 0.0961538 0.3163904 -0.1031068), wk = 0.0056497 k( 106) = ( 0.0769231 0.3163904 -0.1031068), wk = 0.0056497 k( 107) = ( 0.0576923 0.3163904 -0.1031068), wk = 0.0056497 k( 108) = ( 0.0384615 0.3163904 -0.1031068), wk = 0.0056497 k( 109) = ( 0.0192308 0.3163904 -0.1031068), wk = 0.0056497 k( 110) = ( 0.0000000 0.3163904 -0.1031068), wk = 0.0056497 k( 111) = ( 0.0000000 0.3163904 -0.1031068), wk = 0.0056497 k( 112) = ( 0.0000000 0.3223666 -0.0847682), wk = 0.0056497 k( 113) = ( 0.0000000 0.3283429 -0.0664297), wk = 0.0056497 k( 114) = ( 0.0000000 0.3343192 -0.0480911), wk = 0.0056497 k( 115) = ( 0.0000000 0.3402954 -0.0297525), wk = 0.0056497 k( 116) = ( 0.0000000 0.3462717 -0.0114139), wk = 0.0056497 k( 117) = ( 0.0000000 0.3522479 0.0069246), wk = 0.0056497 k( 118) = ( 0.0000000 0.3582242 0.0252632), wk = 0.0056497 k( 119) = ( 0.0000000 0.3642005 0.0436018), wk = 0.0056497 k( 120) = ( 0.0000000 0.3701767 0.0619404), wk = 0.0056497 k( 121) = ( 0.5000000 0.2626040 0.2681539), wk = 0.0056497 k( 122) = ( 0.5000000 0.2438466 0.2681539), wk = 0.0056497 k( 123) = ( 0.5000000 0.2250892 0.2681539), wk = 0.0056497 k( 124) = ( 0.5000000 0.2063317 0.2681539), wk = 0.0056497 k( 125) = ( 0.5000000 0.1875743 0.2681540), wk = 0.0056497 k( 126) = ( 0.5000000 0.1688169 0.2681539), wk = 0.0056497 k( 127) = ( 0.5000000 0.1500594 0.2681539), wk = 0.0056497 k( 128) = ( 0.5000000 0.1313020 0.2681539), wk = 0.0056497 k( 129) = ( 0.5000000 0.1125446 0.2681539), wk = 0.0056497 k( 130) = ( 0.5000000 0.0937871 0.2681539), wk = 0.0056497 k( 131) = ( 0.5000000 0.0750297 0.2681540), wk = 0.0056497 k( 132) = ( 0.5000000 0.0562723 0.2681539), wk = 0.0056497 k( 133) = ( 0.5000000 0.0375149 0.2681539), wk = 0.0056497 k( 134) = ( 0.5000000 0.0187574 0.2681539), wk = 0.0056497 k( 135) = ( 0.5000000 -0.0000000 0.2681539), wk = 0.0056497 k( 136) = ( 0.5000000 -0.0000000 0.2681539), wk = 0.0056497 k( 137) = ( 0.5000000 -0.0000000 0.2490001), wk = 0.0056497 k( 138) = ( 0.5000000 -0.0000000 0.2298462), wk = 0.0056497 k( 139) = ( 0.5000000 -0.0000000 0.2106924), wk = 0.0056497 k( 140) = ( 0.5000000 -0.0000000 0.1915385), wk = 0.0056497 k( 141) = ( 0.5000000 -0.0000000 0.1723847), wk = 0.0056497 k( 142) = ( 0.5000000 -0.0000000 0.1532308), wk = 0.0056497 k( 143) = ( 0.5000000 -0.0000000 0.1340770), wk = 0.0056497 k( 144) = ( 0.5000000 -0.0000000 0.1149231), wk = 0.0056497 k( 145) = ( 0.5000000 -0.0000000 0.0957693), wk = 0.0056497 k( 146) = ( 0.5000000 -0.0000000 0.0766154), wk = 0.0056497 k( 147) = ( 0.5000000 -0.0000000 0.0574616), wk = 0.0056497 k( 148) = ( 0.5000000 -0.0000000 0.0383077), wk = 0.0056497 k( 149) = ( 0.5000000 -0.0000000 0.0191539), wk = 0.0056497 k( 150) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0056497 k( 151) = ( 0.0000000 0.0000000 0.2681539), wk = 0.0056497 k( 152) = ( 0.0192308 -0.0000000 0.2681539), wk = 0.0056497 k( 153) = ( 0.0384615 -0.0000000 0.2681539), wk = 0.0056497 k( 154) = ( 0.0576923 -0.0000000 0.2681539), wk = 0.0056497 k( 155) = ( 0.0769231 -0.0000000 0.2681539), wk = 0.0056497 k( 156) = ( 0.0961538 -0.0000000 0.2681539), wk = 0.0056497 k( 157) = ( 0.1153846 -0.0000000 0.2681539), wk = 0.0056497 k( 158) = ( 0.1346154 -0.0000000 0.2681539), wk = 0.0056497 k( 159) = ( 0.1538461 -0.0000000 0.2681539), wk = 0.0056497 k( 160) = ( 0.1730769 -0.0000000 0.2681539), wk = 0.0056497 k( 161) = ( 0.1923077 -0.0000000 0.2681539), wk = 0.0056497 k( 162) = ( 0.2115385 -0.0000000 0.2681539), wk = 0.0056497 k( 163) = ( 0.2307692 -0.0000000 0.2681539), wk = 0.0056497 k( 164) = ( 0.2500000 -0.0000000 0.2681539), wk = 0.0056497 k( 165) = ( 0.2692308 -0.0000000 0.2681539), wk = 0.0056497 k( 166) = ( 0.2884615 -0.0000000 0.2681539), wk = 0.0056497 k( 167) = ( 0.3076923 -0.0000000 0.2681539), wk = 0.0056497 k( 168) = ( 0.3269231 -0.0000000 0.2681539), wk = 0.0056497 k( 169) = ( 0.3461538 -0.0000000 0.2681539), wk = 0.0056497 k( 170) = ( 0.3653846 -0.0000000 0.2681539), wk = 0.0056497 k( 171) = ( 0.3846154 -0.0000000 0.2681539), wk = 0.0056497 k( 172) = ( 0.4038462 -0.0000000 0.2681539), wk = 0.0056497 k( 173) = ( 0.4230769 -0.0000000 0.2681539), wk = 0.0056497 k( 174) = ( 0.4423077 -0.0000000 0.2681539), wk = 0.0056497 k( 175) = ( 0.4615385 -0.0000000 0.2681539), wk = 0.0056497 k( 176) = ( 0.4807692 -0.0000000 0.2681539), wk = 0.0056497 k( 177) = ( 0.5000000 -0.0000000 0.2681539), wk = 0.0056497 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0056497 k( 2) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0056497 k( 3) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0056497 k( 4) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0056497 k( 5) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0056497 k( 6) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0056497 k( 7) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0056497 k( 8) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0056497 k( 9) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0056497 k( 10) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0056497 k( 11) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0056497 k( 12) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0056497 k( 13) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0056497 k( 14) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0056497 k( 15) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0056497 k( 16) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0056497 k( 17) = ( 0.0000000 0.0296429 0.5113979), wk = 0.0056497 k( 18) = ( 0.0000000 0.0592857 0.5227957), wk = 0.0056497 k( 19) = ( 0.0000000 0.0889286 0.5341936), wk = 0.0056497 k( 20) = ( 0.0000000 0.1185714 0.5455914), wk = 0.0056497 k( 21) = ( 0.0000000 0.1482143 0.5569893), wk = 0.0056497 k( 22) = ( 0.0000000 0.1778571 0.5683871), wk = 0.0056497 k( 23) = ( 0.0000000 0.2075000 0.5797850), wk = 0.0056497 k( 24) = ( 0.0000000 0.2371429 0.5911829), wk = 0.0056497 k( 25) = ( 0.0000000 0.2667857 0.6025807), wk = 0.0056497 k( 26) = ( 0.0000000 0.2964286 0.6139786), wk = 0.0056497 k( 27) = ( 0.0000000 0.3260714 0.6253764), wk = 0.0056497 k( 28) = ( 0.0000000 0.3557143 0.6367743), wk = 0.0056497 k( 29) = ( 0.0000000 0.3853572 0.6481721), wk = 0.0056497 k( 30) = ( 0.0000000 0.4150000 0.6595700), wk = 0.0056497 k( 31) = ( 0.0000000 0.4150000 0.6595700), wk = 0.0056497 k( 32) = ( 0.0000000 0.4271429 0.6367743), wk = 0.0056497 k( 33) = ( 0.0000000 0.4392857 0.6139786), wk = 0.0056497 k( 34) = ( 0.0000000 0.4514286 0.5911829), wk = 0.0056497 k( 35) = ( 0.0000000 0.4635714 0.5683871), wk = 0.0056497 k( 36) = ( 0.0000000 0.4757143 0.5455914), wk = 0.0056497 k( 37) = ( 0.0000000 0.4878572 0.5227957), wk = 0.0056497 k( 38) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0056497 k( 39) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0056497 k( 40) = ( 0.0192308 0.5000000 0.5000000), wk = 0.0056497 k( 41) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0056497 k( 42) = ( 0.0576923 0.5000000 0.5000000), wk = 0.0056497 k( 43) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0056497 k( 44) = ( 0.0961538 0.5000000 0.5000000), wk = 0.0056497 k( 45) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0056497 k( 46) = ( 0.1346154 0.5000000 0.5000000), wk = 0.0056497 k( 47) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0056497 k( 48) = ( 0.1730769 0.5000000 0.5000000), wk = 0.0056497 k( 49) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0056497 k( 50) = ( 0.2115385 0.5000000 0.5000000), wk = 0.0056497 k( 51) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0056497 k( 52) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0056497 k( 53) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0056497 k( 54) = ( 0.2884615 0.5000000 0.5000000), wk = 0.0056497 k( 55) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0056497 k( 56) = ( 0.3269231 0.5000000 0.5000000), wk = 0.0056497 k( 57) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0056497 k( 58) = ( 0.3653846 0.5000000 0.5000000), wk = 0.0056497 k( 59) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0056497 k( 60) = ( 0.4038462 0.5000000 0.5000000), wk = 0.0056497 k( 61) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0056497 k( 62) = ( 0.4423077 0.5000000 0.5000000), wk = 0.0056497 k( 63) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0056497 k( 64) = ( 0.4807692 0.5000000 0.5000000), wk = 0.0056497 k( 65) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0056497 k( 66) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0056497 k( 67) = ( 0.5000000 0.5121429 0.4772043), wk = 0.0056497 k( 68) = ( 0.5000000 0.5242857 0.4544086), wk = 0.0056497 k( 69) = ( 0.5000000 0.5364286 0.4316129), wk = 0.0056497 k( 70) = ( 0.5000000 0.5485714 0.4088172), wk = 0.0056497 k( 71) = ( 0.5000000 0.5607143 0.3860214), wk = 0.0056497 k( 72) = ( 0.5000000 0.5728571 0.3632257), wk = 0.0056497 k( 73) = ( 0.5000000 0.5850000 0.3404300), wk = 0.0056497 k( 74) = ( 0.5000000 0.5850000 0.3404300), wk = 0.0056497 k( 75) = ( 0.5000000 0.5755555 0.3026045), wk = 0.0056497 k( 76) = ( 0.5000000 0.5661111 0.2647789), wk = 0.0056497 k( 77) = ( 0.5000000 0.5566667 0.2269533), wk = 0.0056497 k( 78) = ( 0.5000000 0.5472222 0.1891278), wk = 0.0056497 k( 79) = ( 0.5000000 0.5377778 0.1513022), wk = 0.0056497 k( 80) = ( 0.5000000 0.5283333 0.1134767), wk = 0.0056497 k( 81) = ( 0.5000000 0.5188889 0.0756511), wk = 0.0056497 k( 82) = ( 0.5000000 0.5094444 0.0378256), wk = 0.0056497 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0056497 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0056497 k( 85) = ( 0.4807692 0.5000000 -0.0000000), wk = 0.0056497 k( 86) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0056497 k( 87) = ( 0.4423077 0.5000000 -0.0000000), wk = 0.0056497 k( 88) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0056497 k( 89) = ( 0.4038462 0.5000000 -0.0000000), wk = 0.0056497 k( 90) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0056497 k( 91) = ( 0.3653846 0.5000000 -0.0000000), wk = 0.0056497 k( 92) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0056497 k( 93) = ( 0.3269231 0.5000000 -0.0000000), wk = 0.0056497 k( 94) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0056497 k( 95) = ( 0.2884615 0.5000000 -0.0000000), wk = 0.0056497 k( 96) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0056497 k( 97) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0056497 k( 98) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0056497 k( 99) = ( 0.2115385 0.5000000 -0.0000000), wk = 0.0056497 k( 100) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0056497 k( 101) = ( 0.1730769 0.5000000 -0.0000000), wk = 0.0056497 k( 102) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0056497 k( 103) = ( 0.1346154 0.5000000 -0.0000000), wk = 0.0056497 k( 104) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0056497 k( 105) = ( 0.0961538 0.5000000 -0.0000000), wk = 0.0056497 k( 106) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0056497 k( 107) = ( 0.0576923 0.5000000 -0.0000000), wk = 0.0056497 k( 108) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0056497 k( 109) = ( 0.0192308 0.5000000 -0.0000000), wk = 0.0056497 k( 110) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0056497 k( 111) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0056497 k( 112) = ( 0.0000000 0.5094444 0.0378256), wk = 0.0056497 k( 113) = ( 0.0000000 0.5188889 0.0756511), wk = 0.0056497 k( 114) = ( 0.0000000 0.5283333 0.1134767), wk = 0.0056497 k( 115) = ( 0.0000000 0.5377778 0.1513022), wk = 0.0056497 k( 116) = ( 0.0000000 0.5472222 0.1891278), wk = 0.0056497 k( 117) = ( 0.0000000 0.5566667 0.2269533), wk = 0.0056497 k( 118) = ( 0.0000000 0.5661111 0.2647789), wk = 0.0056497 k( 119) = ( 0.0000000 0.5755555 0.3026045), wk = 0.0056497 k( 120) = ( 0.0000000 0.5850000 0.3404300), wk = 0.0056497 k( 121) = ( 0.5000000 0.4150000 0.6595700), wk = 0.0056497 k( 122) = ( 0.5000000 0.3853572 0.6481721), wk = 0.0056497 k( 123) = ( 0.5000000 0.3557143 0.6367743), wk = 0.0056497 k( 124) = ( 0.5000000 0.3260714 0.6253764), wk = 0.0056497 k( 125) = ( 0.5000000 0.2964286 0.6139786), wk = 0.0056497 k( 126) = ( 0.5000000 0.2667857 0.6025807), wk = 0.0056497 k( 127) = ( 0.5000000 0.2371429 0.5911829), wk = 0.0056497 k( 128) = ( 0.5000000 0.2075000 0.5797850), wk = 0.0056497 k( 129) = ( 0.5000000 0.1778571 0.5683871), wk = 0.0056497 k( 130) = ( 0.5000000 0.1482143 0.5569893), wk = 0.0056497 k( 131) = ( 0.5000000 0.1185714 0.5455914), wk = 0.0056497 k( 132) = ( 0.5000000 0.0889286 0.5341936), wk = 0.0056497 k( 133) = ( 0.5000000 0.0592857 0.5227957), wk = 0.0056497 k( 134) = ( 0.5000000 0.0296429 0.5113979), wk = 0.0056497 k( 135) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0056497 k( 136) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0056497 k( 137) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0056497 k( 138) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0056497 k( 139) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0056497 k( 140) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0056497 k( 141) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0056497 k( 142) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0056497 k( 143) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0056497 k( 144) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0056497 k( 145) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0056497 k( 146) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0056497 k( 147) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0056497 k( 148) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0056497 k( 149) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0056497 k( 150) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0056497 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0056497 k( 152) = ( 0.0192308 -0.0000000 0.5000000), wk = 0.0056497 k( 153) = ( 0.0384615 -0.0000000 0.5000000), wk = 0.0056497 k( 154) = ( 0.0576923 -0.0000000 0.5000000), wk = 0.0056497 k( 155) = ( 0.0769231 -0.0000000 0.5000000), wk = 0.0056497 k( 156) = ( 0.0961538 0.0000000 0.5000000), wk = 0.0056497 k( 157) = ( 0.1153846 -0.0000000 0.5000000), wk = 0.0056497 k( 158) = ( 0.1346154 -0.0000000 0.5000000), wk = 0.0056497 k( 159) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0056497 k( 160) = ( 0.1730769 0.0000000 0.5000000), wk = 0.0056497 k( 161) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0056497 k( 162) = ( 0.2115385 -0.0000000 0.5000000), wk = 0.0056497 k( 163) = ( 0.2307692 -0.0000000 0.5000000), wk = 0.0056497 k( 164) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0056497 k( 165) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0056497 k( 166) = ( 0.2884615 0.0000000 0.5000000), wk = 0.0056497 k( 167) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0056497 k( 168) = ( 0.3269231 -0.0000000 0.5000000), wk = 0.0056497 k( 169) = ( 0.3461538 -0.0000000 0.5000000), wk = 0.0056497 k( 170) = ( 0.3653846 -0.0000000 0.5000000), wk = 0.0056497 k( 171) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0056497 k( 172) = ( 0.4038462 -0.0000000 0.5000000), wk = 0.0056497 k( 173) = ( 0.4230769 -0.0000000 0.5000000), wk = 0.0056497 k( 174) = ( 0.4423077 0.0000000 0.5000000), wk = 0.0056497 k( 175) = ( 0.4615385 -0.0000000 0.5000000), wk = 0.0056497 k( 176) = ( 0.4807692 -0.0000000 0.5000000), wk = 0.0056497 k( 177) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0056497 Dense grid: 144835 G-vectors FFT dimensions: ( 45, 72, 90) Smooth grid: 135195 G-vectors FFT dimensions: ( 45, 72, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 1.68 Mb ( 948, 116) NL pseudopotentials 3.93 Mb ( 474, 544) Each V/rho on FFT grid 0.15 Mb ( 9720) Each G-vector array 0.03 Mb ( 4024) G-vector shells 0.03 Mb ( 4024) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 6.71 Mb ( 948, 464) Each subspace H/S matrix 0.21 Mb ( 116, 116) Each matrix 1.93 Mb ( 544, 2, 116) The potential is recalculated from file : ./AlI3.save/charge-density.dat Starting wfc are 128 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.1 secs Computing kpt #: 2 total cpu time spent up to now is 10.0 secs Computing kpt #: 3 total cpu time spent up to now is 13.9 secs Computing kpt #: 4 total cpu time spent up to now is 17.8 secs Computing kpt #: 5 total cpu time spent up to now is 21.7 secs Computing kpt #: 6 total cpu time spent up to now is 26.1 secs Computing kpt #: 7 total cpu time spent up to now is 30.5 secs Computing kpt #: 8 total cpu time spent up to now is 34.9 secs Computing kpt #: 9 total cpu time spent up to now is 39.3 secs Computing kpt #: 10 total cpu time spent up to now is 43.8 secs Computing kpt #: 11 total cpu time spent up to now is 48.2 secs Computing kpt #: 12 total cpu time spent up to now is 52.6 secs Computing kpt #: 13 total cpu time spent up to now is 57.0 secs Computing kpt #: 14 total cpu time spent up to now is 61.3 secs Computing kpt #: 15 total cpu time spent up to now is 65.2 secs Computing kpt #: 16 total cpu time spent up to now is 69.6 secs Computing kpt #: 17 total cpu time spent up to now is 73.9 secs Computing kpt #: 18 total cpu time spent up to now is 78.3 secs Computing kpt #: 19 total cpu time spent up to now is 82.7 secs Computing kpt #: 20 total cpu time spent up to now is 87.1 secs Computing kpt #: 21 total cpu time spent up to now is 91.5 secs Computing kpt #: 22 total cpu time spent up to now is 95.9 secs Computing kpt #: 23 total cpu time spent up to now is 100.3 secs Computing kpt #: 24 total cpu time spent up to now is 104.7 secs Computing kpt #: 25 total cpu time spent up to now is 109.1 secs Computing kpt #: 26 total cpu time spent up to now is 113.5 secs Computing kpt #: 27 total cpu time spent up to now is 117.5 secs Computing kpt #: 28 total cpu time spent up to now is 121.9 secs Computing kpt #: 29 total cpu time spent up to now is 126.1 secs Computing kpt #: 30 total cpu time spent up to now is 130.1 secs Computing kpt #: 31 total cpu time spent up to now is 134.1 secs Computing kpt #: 32 total cpu time spent up to now is 138.0 secs Computing kpt #: 33 total cpu time spent up to now is 141.9 secs Computing kpt #: 34 total cpu time spent up to now is 145.9 secs Computing kpt #: 35 total cpu time spent up to now is 149.8 secs Computing kpt #: 36 total cpu time spent up to now is 153.7 secs Computing kpt #: 37 total cpu time spent up to now is 157.6 secs Computing kpt #: 38 total cpu time spent up to now is 161.5 secs Computing kpt #: 39 total cpu time spent up to now is 165.4 secs Computing kpt #: 40 total cpu time spent up to now is 169.3 secs Computing kpt #: 41 total cpu time spent up to now is 173.3 secs Computing kpt #: 42 total cpu time spent up to now is 177.2 secs Computing kpt #: 43 total cpu time spent up to now is 181.1 secs Computing kpt #: 44 total cpu time spent up to now is 185.0 secs Computing kpt #: 45 total cpu time spent up to now is 188.9 secs Computing kpt #: 46 total cpu time spent up to now is 192.9 secs Computing kpt #: 47 total cpu time spent up to now is 196.8 secs Computing kpt #: 48 total cpu time spent up to now is 200.7 secs Computing kpt #: 49 total cpu time spent up to now is 204.7 secs Computing kpt #: 50 total cpu time spent up to now is 208.6 secs Computing kpt #: 51 total cpu time spent up to now is 212.5 secs Computing kpt #: 52 total cpu time spent up to now is 216.5 secs Computing kpt #: 53 total cpu time spent up to now is 220.4 secs Computing kpt #: 54 total cpu time spent up to now is 224.3 secs Computing kpt #: 55 total cpu time spent up to now is 228.3 secs Computing kpt #: 56 total cpu time spent up to now is 232.1 secs Computing kpt #: 57 total cpu time spent up to now is 236.1 secs Computing kpt #: 58 total cpu time spent up to now is 240.0 secs Computing kpt #: 59 total cpu time spent up to now is 243.8 secs Computing kpt #: 60 total cpu time spent up to now is 247.7 secs Computing kpt #: 61 total cpu time spent up to now is 251.6 secs Computing kpt #: 62 total cpu time spent up to now is 255.5 secs Computing kpt #: 63 total cpu time spent up to now is 259.3 secs Computing kpt #: 64 total cpu time spent up to now is 263.2 secs Computing kpt #: 65 total cpu time spent up to now is 267.0 secs Computing kpt #: 66 total cpu time spent up to now is 270.9 secs Computing kpt #: 67 total cpu time spent up to now is 274.6 secs Computing kpt #: 68 total cpu time spent up to now is 278.4 secs Computing kpt #: 69 total cpu time spent up to now is 282.2 secs Computing kpt #: 70 total cpu time spent up to now is 286.1 secs Computing kpt #: 71 total cpu time spent up to now is 290.0 secs Computing kpt #: 72 total cpu time spent up to now is 293.9 secs Computing kpt #: 73 total cpu time spent up to now is 297.8 secs Computing kpt #: 74 total cpu time spent up to now is 301.6 secs Computing kpt #: 75 total cpu time spent up to now is 305.5 secs Computing kpt #: 76 total cpu time spent up to now is 309.4 secs Computing kpt #: 77 total cpu time spent up to now is 313.2 secs Computing kpt #: 78 total cpu time spent up to now is 317.2 secs Computing kpt #: 79 total cpu time spent up to now is 321.0 secs Computing kpt #: 80 total cpu time spent up to now is 324.9 secs Computing kpt #: 81 total cpu time spent up to now is 328.8 secs Computing kpt #: 82 total cpu time spent up to now is 332.6 secs Computing kpt #: 83 total cpu time spent up to now is 336.5 secs Computing kpt #: 84 total cpu time spent up to now is 340.4 secs Computing kpt #: 85 total cpu time spent up to now is 344.2 secs Computing kpt #: 86 total cpu time spent up to now is 348.6 secs Computing kpt #: 87 total cpu time spent up to now is 352.9 secs Computing kpt #: 88 total cpu time spent up to now is 357.3 secs Computing kpt #: 89 total cpu time spent up to now is 361.7 secs Computing kpt #: 90 total cpu time spent up to now is 366.0 secs Computing kpt #: 91 total cpu time spent up to now is 370.4 secs Computing kpt #: 92 total cpu time spent up to now is 374.8 secs Computing kpt #: 93 total cpu time spent up to now is 379.2 secs Computing kpt #: 94 total cpu time spent up to now is 383.6 secs Computing kpt #: 95 total cpu time spent up to now is 388.0 secs Computing kpt #: 96 total cpu time spent up to now is 392.5 secs Computing kpt #: 97 total cpu time spent up to now is 396.9 secs Computing kpt #: 98 total cpu time spent up to now is 400.8 secs Computing kpt #: 99 total cpu time spent up to now is 404.8 secs Computing kpt #: 100 total cpu time spent up to now is 408.7 secs Computing kpt #: 101 total cpu time spent up to now is 412.6 secs Computing kpt #: 102 total cpu time spent up to now is 416.6 secs Computing kpt #: 103 total cpu time spent up to now is 420.5 secs Computing kpt #: 104 total cpu time spent up to now is 424.4 secs Computing kpt #: 105 total cpu time spent up to now is 428.8 secs Computing kpt #: 106 total cpu time spent up to now is 432.7 secs Computing kpt #: 107 total cpu time spent up to now is 436.6 secs Computing kpt #: 108 total cpu time spent up to now is 440.5 secs Computing kpt #: 109 total cpu time spent up to now is 444.3 secs Computing kpt #: 110 total cpu time spent up to now is 448.2 secs Computing kpt #: 111 total cpu time spent up to now is 452.1 secs Computing kpt #: 112 total cpu time spent up to now is 455.9 secs Computing kpt #: 113 total cpu time spent up to now is 459.8 secs Computing kpt #: 114 total cpu time spent up to now is 464.2 secs Computing kpt #: 115 total cpu time spent up to now is 468.5 secs Computing kpt #: 116 total cpu time spent up to now is 472.9 secs Computing kpt #: 117 total cpu time spent up to now is 477.3 secs Computing kpt #: 118 total cpu time spent up to now is 481.7 secs Computing kpt #: 119 total cpu time spent up to now is 485.6 secs Computing kpt #: 120 total cpu time spent up to now is 489.5 secs Computing kpt #: 121 total cpu time spent up to now is 493.4 secs Computing kpt #: 122 total cpu time spent up to now is 497.3 secs Computing kpt #: 123 total cpu time spent up to now is 501.3 secs Computing kpt #: 124 total cpu time spent up to now is 505.7 secs Computing kpt #: 125 total cpu time spent up to now is 510.1 secs Computing kpt #: 126 total cpu time spent up to now is 514.5 secs Computing kpt #: 127 total cpu time spent up to now is 518.9 secs Computing kpt #: 128 total cpu time spent up to now is 523.3 secs Computing kpt #: 129 total cpu time spent up to now is 527.8 secs Computing kpt #: 130 total cpu time spent up to now is 532.2 secs Computing kpt #: 131 total cpu time spent up to now is 536.6 secs Computing kpt #: 132 total cpu time spent up to now is 541.0 secs Computing kpt #: 133 total cpu time spent up to now is 545.4 secs Computing kpt #: 134 total cpu time spent up to now is 549.9 secs Computing kpt #: 135 total cpu time spent up to now is 554.3 secs Computing kpt #: 136 total cpu time spent up to now is 558.6 secs Computing kpt #: 137 total cpu time spent up to now is 563.1 secs Computing kpt #: 138 total cpu time spent up to now is 567.5 secs Computing kpt #: 139 total cpu time spent up to now is 571.9 secs Computing kpt #: 140 total cpu time spent up to now is 576.3 secs Computing kpt #: 141 total cpu time spent up to now is 580.7 secs Computing kpt #: 142 total cpu time spent up to now is 585.1 secs Computing kpt #: 143 total cpu time spent up to now is 589.5 secs Computing kpt #: 144 total cpu time spent up to now is 593.9 secs Computing kpt #: 145 total cpu time spent up to now is 598.3 secs Computing kpt #: 146 total cpu time spent up to now is 602.7 secs Computing kpt #: 147 total cpu time spent up to now is 607.1 secs Computing kpt #: 148 total cpu time spent up to now is 611.5 secs Computing kpt #: 149 total cpu time spent up to now is 615.8 secs Computing kpt #: 150 total cpu time spent up to now is 620.2 secs Computing kpt #: 151 total cpu time spent up to now is 624.5 secs Computing kpt #: 152 total cpu time spent up to now is 628.9 secs Computing kpt #: 153 total cpu time spent up to now is 633.2 secs Computing kpt #: 154 total cpu time spent up to now is 637.7 secs Computing kpt #: 155 total cpu time spent up to now is 642.0 secs Computing kpt #: 156 total cpu time spent up to now is 646.4 secs Computing kpt #: 157 total cpu time spent up to now is 650.7 secs Computing kpt #: 158 total cpu time spent up to now is 655.0 secs Computing kpt #: 159 total cpu time spent up to now is 659.4 secs Computing kpt #: 160 total cpu time spent up to now is 663.7 secs Computing kpt #: 161 total cpu time spent up to now is 668.1 secs Computing kpt #: 162 total cpu time spent up to now is 672.0 secs Computing kpt #: 163 total cpu time spent up to now is 675.8 secs Computing kpt #: 164 total cpu time spent up to now is 680.1 secs Computing kpt #: 165 total cpu time spent up to now is 684.1 secs Computing kpt #: 166 total cpu time spent up to now is 687.9 secs Computing kpt #: 167 total cpu time spent up to now is 691.7 secs Computing kpt #: 168 total cpu time spent up to now is 696.1 secs Computing kpt #: 169 total cpu time spent up to now is 700.4 secs Computing kpt #: 170 total cpu time spent up to now is 704.8 secs Computing kpt #: 171 total cpu time spent up to now is 709.1 secs Computing kpt #: 172 total cpu time spent up to now is 713.4 secs Computing kpt #: 173 total cpu time spent up to now is 717.8 secs Computing kpt #: 174 total cpu time spent up to now is 722.2 secs Computing kpt #: 175 total cpu time spent up to now is 727.1 secs Computing kpt #: 176 total cpu time spent up to now is 731.4 secs Computing kpt #: 177 total cpu time spent up to now is 735.9 secs ethr = 1.04E-08, avg # of iterations = 20.5 total cpu time spent up to now is 735.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 16869 PWs) bands (ev): -10.7692 -10.7692 -10.6405 -10.6405 -10.1986 -10.1986 -10.0926 -10.0926 -9.5975 -9.5975 -9.5543 -9.5543 -9.5275 -9.5275 -9.4339 -9.4339 -9.3152 -9.3152 -9.3078 -9.3078 -9.1916 -9.1916 -9.1774 -9.1774 -3.0372 -3.0372 -2.9643 -2.9643 -2.9434 -2.9434 -2.9035 -2.9035 -1.4123 -1.4123 -1.2324 -1.2324 -1.1150 -1.1150 -1.0036 -1.0036 -0.9828 -0.9828 -0.8076 -0.8076 -0.5920 -0.5920 -0.5471 -0.5471 -0.4456 -0.4456 -0.3882 -0.3882 -0.2164 -0.2164 -0.1155 -0.1155 -0.0842 -0.0842 -0.0681 -0.0681 0.3281 0.3281 0.3320 0.3320 0.5701 0.5701 0.7206 0.7206 0.7590 0.7590 0.8940 0.8940 0.9322 0.9322 1.0683 1.0683 1.0940 1.0940 1.2278 1.2278 1.3542 1.3542 1.3927 1.3927 1.4590 1.4590 1.5936 1.5936 1.6459 1.6459 1.7647 1.7647 2.0355 2.0355 2.0608 2.0608 4.9890 4.9890 5.2509 5.2509 5.2690 5.2690 5.5666 5.5666 5.6939 5.6939 6.3608 6.3608 6.4552 6.4552 6.5790 6.5790 6.6425 6.6425 6.8742 6.8742 k = 0.0000 0.0000 0.0192 ( 16876 PWs) bands (ev): -10.7689 -10.7689 -10.6410 -10.6410 -10.1982 -10.1982 -10.0928 -10.0928 -9.5979 -9.5979 -9.5535 -9.5535 -9.5285 -9.5285 -9.4334 -9.4334 -9.3170 -9.3170 -9.3054 -9.3054 -9.1919 -9.1919 -9.1779 -9.1779 -3.0370 -3.0370 -2.9642 -2.9642 -2.9436 -2.9436 -2.9037 -2.9037 -1.4120 -1.4120 -1.2335 -1.2335 -1.1145 -1.1145 -1.0035 -1.0035 -0.9829 -0.9829 -0.8071 -0.8071 -0.5923 -0.5923 -0.5461 -0.5461 -0.4487 -0.4487 -0.3864 -0.3864 -0.2186 -0.2186 -0.1123 -0.1123 -0.0920 -0.0920 -0.0597 -0.0597 0.3210 0.3210 0.3408 0.3408 0.5706 0.5706 0.7198 0.7198 0.7593 0.7593 0.8937 0.8937 0.9327 0.9327 1.0650 1.0650 1.0966 1.0966 1.2283 1.2283 1.3546 1.3546 1.3906 1.3906 1.4603 1.4603 1.5936 1.5936 1.6450 1.6450 1.7641 1.7641 2.0331 2.0331 2.0592 2.0592 4.9907 4.9907 5.2510 5.2510 5.2725 5.2725 5.5695 5.5695 5.6947 5.6947 6.3624 6.3624 6.4525 6.4525 6.5820 6.5820 6.6429 6.6429 6.8768 6.8768 k = 0.0000 0.0000 0.0383 ( 16885 PWs) bands (ev): -10.7679 -10.7679 -10.6425 -10.6425 -10.1969 -10.1969 -10.0936 -10.0936 -9.5988 -9.5988 -9.5512 -9.5512 -9.5313 -9.5313 -9.4321 -9.4321 -9.3196 -9.3196 -9.3007 -9.3007 -9.1926 -9.1926 -9.1791 -9.1791 -3.0363 -3.0363 -2.9640 -2.9640 -2.9444 -2.9444 -2.9044 -2.9044 -1.4110 -1.4110 -1.2366 -1.2366 -1.1129 -1.1129 -1.0034 -1.0034 -0.9831 -0.9831 -0.8059 -0.8059 -0.5930 -0.5930 -0.5433 -0.5433 -0.4566 -0.4566 -0.3826 -0.3826 -0.2239 -0.2239 -0.1092 -0.1092 -0.0981 -0.0981 -0.0465 -0.0465 0.3141 0.3141 0.3529 0.3529 0.5722 0.5722 0.7174 0.7174 0.7599 0.7599 0.8929 0.8929 0.9339 0.9339 1.0573 1.0573 1.1023 1.1023 1.2298 1.2298 1.3560 1.3560 1.3851 1.3851 1.4634 1.4634 1.5935 1.5935 1.6423 1.6423 1.7624 1.7624 2.0258 2.0258 2.0548 2.0548 4.9957 4.9957 5.2513 5.2513 5.2829 5.2829 5.5781 5.5781 5.6971 5.6971 6.3672 6.3672 6.4443 6.4443 6.5908 6.5908 6.6446 6.6446 6.8846 6.8846 k = 0.0000 0.0000 0.0575 ( 16906 PWs) bands (ev): -10.7663 -10.7663 -10.6450 -10.6450 -10.1947 -10.1947 -10.0949 -10.0949 -9.6001 -9.6001 -9.5476 -9.5476 -9.5355 -9.5355 -9.4304 -9.4304 -9.3215 -9.3215 -9.2953 -9.2953 -9.1938 -9.1938 -9.1812 -9.1812 -3.0351 -3.0351 -2.9638 -2.9638 -2.9456 -2.9456 -2.9054 -2.9054 -1.4093 -1.4093 -1.2416 -1.2416 -1.1104 -1.1104 -1.0034 -1.0034 -0.9830 -0.9830 -0.8040 -0.8040 -0.5939 -0.5939 -0.5389 -0.5389 -0.4671 -0.4671 -0.3789 -0.3789 -0.2302 -0.2302 -0.1199 -0.1199 -0.0865 -0.0865 -0.0331 -0.0331 0.3092 0.3092 0.3667 0.3667 0.5746 0.5746 0.7138 0.7138 0.7607 0.7607 0.8921 0.8921 0.9353 0.9353 1.0473 1.0473 1.1094 1.1094 1.2321 1.2321 1.3578 1.3578 1.3780 1.3780 1.4669 1.4669 1.5933 1.5933 1.6379 1.6379 1.7600 1.7600 2.0132 2.0132 2.0483 2.0483 5.0037 5.0037 5.2518 5.2518 5.2998 5.2998 5.5922 5.5922 5.7008 5.7008 6.3752 6.3752 6.4310 6.4310 6.6041 6.6041 6.6486 6.6486 6.8969 6.8969 k = 0.0000 0.0000 0.0766 ( 16891 PWs) bands (ev): -10.7639 -10.7639 -10.6484 -10.6484 -10.1918 -10.1918 -10.0967 -10.0967 -9.6016 -9.6016 -9.5430 -9.5430 -9.5407 -9.5407 -9.4291 -9.4291 -9.3218 -9.3218 -9.2896 -9.2896 -9.1954 -9.1954 -9.1841 -9.1841 -3.0335 -3.0335 -2.9636 -2.9636 -2.9470 -2.9470 -2.9069 -2.9069 -1.4070 -1.4070 -1.2482 -1.2482 -1.1074 -1.1074 -1.0042 -1.0042 -0.9816 -0.9816 -0.8021 -0.8021 -0.5947 -0.5947 -0.5335 -0.5335 -0.4786 -0.4786 -0.3770 -0.3770 -0.2358 -0.2358 -0.1320 -0.1320 -0.0708 -0.0708 -0.0202 -0.0202 0.3066 0.3066 0.3819 0.3819 0.5775 0.5775 0.7093 0.7093 0.7613 0.7613 0.8915 0.8915 0.9362 0.9362 1.0361 1.0361 1.1172 1.1172 1.2350 1.2350 1.3580 1.3580 1.3726 1.3726 1.4696 1.4696 1.5928 1.5928 1.6321 1.6321 1.7572 1.7572 1.9956 1.9956 2.0403 2.0403 5.0147 5.0147 5.2522 5.2522 5.3224 5.3224 5.6117 5.6117 5.7056 5.7056 6.3868 6.3868 6.4125 6.4125 6.6196 6.6196 6.6574 6.6574 6.9127 6.9127 k = 0.0000 0.0000 0.0958 ( 16902 PWs) bands (ev): -10.7610 -10.7610 -10.6527 -10.6527 -10.1881 -10.1881 -10.0990 -10.0990 -9.6029 -9.6029 -9.5467 -9.5467 -9.5375 -9.5375 -9.4287 -9.4287 -9.3205 -9.3205 -9.2837 -9.2837 -9.1976 -9.1976 -9.1879 -9.1879 -3.0314 -3.0314 -2.9636 -2.9636 -2.9485 -2.9485 -2.9087 -2.9087 -1.4040 -1.4040 -1.2561 -1.2561 -1.1040 -1.1040 -1.0063 -1.0063 -0.9780 -0.9780 -0.8006 -0.8006 -0.5953 -0.5953 -0.5278 -0.5278 -0.4895 -0.4895 -0.3773 -0.3773 -0.2399 -0.2399 -0.1435 -0.1435 -0.0542 -0.0542 -0.0082 -0.0082 0.3066 0.3066 0.3984 0.3984 0.5805 0.5805 0.7045 0.7045 0.7616 0.7616 0.8916 0.8916 0.9356 0.9356 1.0243 1.0243 1.1259 1.1259 1.2384 1.2384 1.3527 1.3527 1.3734 1.3734 1.4711 1.4711 1.5917 1.5917 1.6252 1.6252 1.7548 1.7548 1.9737 1.9737 2.0309 2.0309 5.0281 5.0281 5.2522 5.2522 5.3501 5.3501 5.6361 5.6361 5.7111 5.7111 6.3889 6.3889 6.4023 6.4023 6.6331 6.6331 6.6749 6.6749 6.9295 6.9295 k = 0.0000 0.0000 0.1149 ( 16901 PWs) bands (ev): -10.7575 -10.7575 -10.6577 -10.6577 -10.1838 -10.1838 -10.1018 -10.1018 -9.6040 -9.6040 -9.5529 -9.5529 -9.5315 -9.5315 -9.4296 -9.4296 -9.3173 -9.3173 -9.2778 -9.2778 -9.2001 -9.2001 -9.1923 -9.1923 -3.0289 -3.0289 -2.9644 -2.9644 -2.9495 -2.9495 -2.9109 -2.9109 -1.4003 -1.4003 -1.2651 -1.2651 -1.1003 -1.1003 -1.0098 -1.0098 -0.9721 -0.9721 -0.8001 -0.8001 -0.5953 -0.5953 -0.5240 -0.5240 -0.4978 -0.4978 -0.3797 -0.3797 -0.2424 -0.2424 -0.1543 -0.1543 -0.0380 -0.0380 0.0027 0.0027 0.3097 0.3097 0.4157 0.4157 0.5832 0.5832 0.6996 0.6996 0.7616 0.7616 0.8926 0.8926 0.9328 0.9328 1.0127 1.0127 1.1355 1.1355 1.2420 1.2420 1.3444 1.3444 1.3782 1.3782 1.4714 1.4714 1.5894 1.5894 1.6175 1.6175 1.7533 1.7533 1.9490 1.9490 2.0200 2.0200 5.0436 5.0436 5.2514 5.2514 5.3818 5.3818 5.6643 5.6643 5.7174 5.7174 6.3614 6.3614 6.4211 6.4211 6.6442 6.6442 6.7014 6.7014 6.9387 6.9387 k = 0.0000 0.0000 0.1341 ( 16911 PWs) bands (ev): -10.7533 -10.7533 -10.6633 -10.6633 -10.1790 -10.1790 -10.1050 -10.1050 -9.6047 -9.6047 -9.5593 -9.5593 -9.5250 -9.5250 -9.4318 -9.4318 -9.3123 -9.3123 -9.2718 -9.2718 -9.2032 -9.2032 -9.1975 -9.1975 -3.0260 -3.0260 -2.9661 -2.9661 -2.9497 -2.9497 -2.9133 -2.9133 -1.3959 -1.3959 -1.2748 -1.2748 -1.0965 -1.0965 -1.0146 -1.0146 -0.9637 -0.9637 -0.8012 -0.8012 -0.5948 -0.5948 -0.5264 -0.5264 -0.4986 -0.4986 -0.3835 -0.3835 -0.2435 -0.2435 -0.1644 -0.1644 -0.0229 -0.0229 0.0123 0.0123 0.3162 0.3162 0.4331 0.4331 0.5850 0.5850 0.6952 0.6952 0.7615 0.7615 0.8944 0.8944 0.9269 0.9269 1.0020 1.0020 1.1460 1.1460 1.2456 1.2456 1.3360 1.3360 1.3841 1.3841 1.4711 1.4711 1.5854 1.5854 1.6097 1.6097 1.7525 1.7525 1.9231 1.9231 2.0079 2.0079 5.0608 5.0608 5.2497 5.2497 5.4165 5.4165 5.6926 5.6926 5.7273 5.7273 6.3295 6.3295 6.4436 6.4436 6.6552 6.6552 6.7338 6.7338 6.9245 6.9245 k = 0.0000 0.0000 0.1532 ( 16905 PWs) bands (ev): -10.7487 -10.7487 -10.6695 -10.6695 -10.1738 -10.1738 -10.1087 -10.1087 -9.6050 -9.6050 -9.5655 -9.5655 -9.5181 -9.5181 -9.4354 -9.4354 -9.3059 -9.3059 -9.2659 -9.2659 -9.2069 -9.2069 -9.2031 -9.2031 -3.0227 -3.0227 -2.9690 -2.9690 -2.9490 -2.9490 -2.9160 -2.9160 -1.3909 -1.3909 -1.2851 -1.2851 -1.0923 -1.0923 -1.0203 -1.0203 -0.9533 -0.9533 -0.8043 -0.8043 -0.5938 -0.5938 -0.5344 -0.5344 -0.4927 -0.4927 -0.3882 -0.3882 -0.2435 -0.2435 -0.1738 -0.1738 -0.0098 -0.0098 0.0204 0.0204 0.3262 0.3262 0.4496 0.4496 0.5859 0.5859 0.6911 0.6911 0.7619 0.7619 0.8967 0.8967 0.9183 0.9183 0.9926 0.9926 1.1573 1.1573 1.2489 1.2489 1.3286 1.3286 1.3895 1.3895 1.4711 1.4711 1.5795 1.5795 1.6026 1.6026 1.7515 1.7515 1.8986 1.8986 1.9944 1.9944 5.0791 5.0791 5.2465 5.2465 5.4530 5.4530 5.7087 5.7087 5.7516 5.7516 6.2940 6.2940 6.4697 6.4697 6.6677 6.6677 6.7697 6.7697 6.8968 6.8968 k = 0.0000 0.0000 0.1724 ( 16897 PWs) bands (ev): -10.7435 -10.7435 -10.6760 -10.6760 -10.1682 -10.1682 -10.1128 -10.1128 -9.6048 -9.6048 -9.5715 -9.5715 -9.5109 -9.5109 -9.4401 -9.4401 -9.2982 -9.2982 -9.2600 -9.2600 -9.2119 -9.2119 -9.2084 -9.2084 -3.0190 -3.0190 -2.9726 -2.9726 -2.9476 -2.9476 -2.9189 -2.9189 -1.3851 -1.3851 -1.2956 -1.2956 -1.0879 -1.0879 -1.0265 -1.0265 -0.9412 -0.9412 -0.8096 -0.8096 -0.5922 -0.5922 -0.5436 -0.5436 -0.4841 -0.4841 -0.3937 -0.3937 -0.2425 -0.2425 -0.1826 -0.1826 0.0013 0.0013 0.0268 0.0268 0.3398 0.3398 0.4632 0.4632 0.5868 0.5868 0.6868 0.6868 0.7636 0.7636 0.8952 0.8952 0.9113 0.9113 0.9844 0.9844 1.1692 1.1692 1.2514 1.2514 1.3232 1.3232 1.3927 1.3927 1.4725 1.4725 1.5715 1.5715 1.5979 1.5979 1.7476 1.7476 1.8789 1.8789 1.9799 1.9799 5.0981 5.0981 5.2417 5.2417 5.4902 5.4902 5.7119 5.7119 5.7897 5.7897 6.2552 6.2552 6.4991 6.4991 6.6824 6.6824 6.8069 6.8069 6.8656 6.8656 k = 0.0000 0.0000 0.1915 ( 16903 PWs) bands (ev): -10.7378 -10.7378 -10.6829 -10.6829 -10.1624 -10.1624 -10.1173 -10.1173 -9.6040 -9.6040 -9.5772 -9.5772 -9.5035 -9.5035 -9.4456 -9.4456 -9.2897 -9.2897 -9.2542 -9.2542 -9.2186 -9.2186 -9.2130 -9.2130 -3.0149 -3.0149 -2.9769 -2.9769 -2.9457 -2.9457 -2.9220 -2.9220 -1.3787 -1.3787 -1.3062 -1.3062 -1.0832 -1.0832 -1.0332 -1.0332 -0.9277 -0.9277 -0.8174 -0.8174 -0.5902 -0.5902 -0.5524 -0.5524 -0.4744 -0.4744 -0.4000 -0.4000 -0.2404 -0.2404 -0.1910 -0.1910 0.0104 0.0104 0.0314 0.0314 0.3564 0.3564 0.4716 0.4716 0.5897 0.5897 0.6813 0.6813 0.7677 0.7677 0.8833 0.8833 0.9133 0.9133 0.9768 0.9768 1.1814 1.1814 1.2520 1.2520 1.3210 1.3210 1.3923 1.3923 1.4761 1.4761 1.5612 1.5612 1.5975 1.5975 1.7374 1.7374 1.8678 1.8678 1.9645 1.9645 5.1174 5.1174 5.2350 5.2350 5.5271 5.5271 5.7091 5.7091 5.8334 5.8334 6.2135 6.2135 6.5314 6.5314 6.6995 6.6995 6.8261 6.8261 6.8493 6.8493 k = 0.0000 0.0000 0.2107 ( 16897 PWs) bands (ev): -10.7317 -10.7317 -10.6900 -10.6900 -10.1564 -10.1564 -10.1222 -10.1222 -9.6026 -9.6026 -9.5824 -9.5824 -9.4959 -9.4959 -9.4519 -9.4519 -9.2807 -9.2807 -9.2485 -9.2485 -9.2263 -9.2263 -9.2175 -9.2175 -3.0106 -3.0106 -2.9815 -2.9815 -2.9433 -2.9433 -2.9252 -2.9252 -1.3716 -1.3716 -1.3168 -1.3168 -1.0780 -1.0780 -1.0400 -1.0400 -0.9132 -0.9132 -0.8273 -0.8273 -0.5877 -0.5877 -0.5602 -0.5602 -0.4642 -0.4642 -0.4070 -0.4070 -0.2372 -0.2372 -0.1991 -0.1991 0.0178 0.0178 0.0340 0.0340 0.3752 0.3752 0.4725 0.4725 0.5965 0.5965 0.6735 0.6735 0.7750 0.7750 0.8668 0.8668 0.9195 0.9195 0.9691 0.9691 1.1935 1.1935 1.2498 1.2498 1.3234 1.3234 1.3875 1.3875 1.4823 1.4823 1.5493 1.5493 1.6026 1.6026 1.7199 1.7199 1.8668 1.8668 1.9484 1.9484 5.1364 5.1364 5.2263 5.2263 5.5624 5.5624 5.7017 5.7017 5.8799 5.8799 6.1694 6.1694 6.5661 6.5661 6.7186 6.7186 6.7941 6.7941 6.8667 6.8667 k = 0.0000 0.0000 0.2298 ( 16884 PWs) bands (ev): -10.7253 -10.7253 -10.6972 -10.6972 -10.1504 -10.1504 -10.1274 -10.1274 -9.6007 -9.6007 -9.5872 -9.5872 -9.4883 -9.4883 -9.4586 -9.4586 -9.2713 -9.2713 -9.2429 -9.2429 -9.2347 -9.2347 -9.2222 -9.2222 -3.0060 -3.0060 -2.9863 -2.9863 -2.9406 -2.9406 -2.9284 -2.9284 -1.3639 -1.3639 -1.3271 -1.3271 -1.0725 -1.0725 -1.0469 -1.0469 -0.8980 -0.8980 -0.8392 -0.8392 -0.5849 -0.5849 -0.5670 -0.5670 -0.4538 -0.4538 -0.4149 -0.4149 -0.2329 -0.2329 -0.2068 -0.2068 0.0237 0.0237 0.0348 0.0348 0.3955 0.3955 0.4656 0.4656 0.6076 0.6076 0.6632 0.6632 0.7855 0.7855 0.8491 0.8491 0.9271 0.9271 0.9611 0.9611 1.2053 1.2053 1.2445 1.2445 1.3305 1.3305 1.3787 1.3787 1.4906 1.4906 1.5367 1.5367 1.6136 1.6136 1.6975 1.6975 1.8736 1.8736 1.9319 1.9319 5.1549 5.1549 5.2156 5.2156 5.5954 5.5954 5.6895 5.6895 5.9282 5.9282 6.1232 6.1232 6.6027 6.6027 6.7364 6.7364 6.7618 6.7618 6.8485 6.8485 k = 0.0000 0.0000 0.2490 ( 16877 PWs) bands (ev): -10.7186 -10.7186 -10.7045 -10.7045 -10.1445 -10.1445 -10.1329 -10.1329 -9.5982 -9.5982 -9.5914 -9.5914 -9.4807 -9.4807 -9.4658 -9.4658 -9.2619 -9.2619 -9.2434 -9.2434 -9.2374 -9.2374 -9.2271 -9.2271 -3.0012 -3.0012 -2.9913 -2.9913 -2.9378 -2.9378 -2.9316 -2.9316 -1.3555 -1.3555 -1.3370 -1.3370 -1.0665 -1.0665 -1.0537 -1.0537 -0.8826 -0.8826 -0.8527 -0.8527 -0.5815 -0.5815 -0.5727 -0.5727 -0.4434 -0.4434 -0.4237 -0.4237 -0.2275 -0.2275 -0.2142 -0.2142 0.0284 0.0284 0.0341 0.0341 0.4160 0.4160 0.4526 0.4526 0.6215 0.6215 0.6506 0.6506 0.7988 0.7988 0.8313 0.8313 0.9354 0.9354 0.9527 0.9527 1.2166 1.2166 1.2366 1.2366 1.3411 1.3411 1.3669 1.3669 1.5005 1.5005 1.5240 1.5240 1.6299 1.6299 1.6734 1.6734 1.8853 1.8853 1.9155 1.9155 5.1723 5.1723 5.2029 5.2029 5.6252 5.6252 5.6727 5.6727 5.9774 5.9774 6.0755 6.0755 6.6404 6.6404 6.7158 6.7158 6.7689 6.7689 6.8212 6.8212 k = 0.0000 0.0000 0.2682 ( 16882 PWs) bands (ev): -10.7116 -10.7116 -10.7116 -10.7116 -10.1386 -10.1386 -10.1386 -10.1386 -9.5951 -9.5951 -9.5951 -9.5951 -9.4732 -9.4732 -9.4732 -9.4732 -9.2526 -9.2526 -9.2526 -9.2526 -9.2322 -9.2322 -9.2321 -9.2321 -2.9963 -2.9963 -2.9962 -2.9962 -2.9348 -2.9348 -2.9347 -2.9347 -1.3466 -1.3466 -1.3465 -1.3465 -1.0602 -1.0602 -1.0602 -1.0602 -0.8673 -0.8673 -0.8673 -0.8673 -0.5775 -0.5775 -0.5775 -0.5775 -0.4333 -0.4333 -0.4333 -0.4333 -0.2212 -0.2212 -0.2212 -0.2212 0.0318 0.0318 0.0319 0.0319 0.4355 0.4355 0.4355 0.4355 0.6363 0.6363 0.6363 0.6363 0.8143 0.8143 0.8143 0.8143 0.9441 0.9441 0.9441 0.9441 1.2271 1.2271 1.2271 1.2271 1.3539 1.3539 1.3539 1.3539 1.5118 1.5118 1.5118 1.5118 1.6503 1.6503 1.6503 1.6503 1.8997 1.8997 1.8997 1.8997 5.1884 5.1884 5.1885 5.1885 5.6511 5.6511 5.6512 5.6512 6.0266 6.0266 6.0267 6.0267 6.6786 6.6786 6.6786 6.6786 6.7939 6.7939 6.7939 6.7939 k = 0.0000 0.0000 0.2682 ( 16882 PWs) bands (ev): -10.7116 -10.7116 -10.7116 -10.7116 -10.1386 -10.1386 -10.1386 -10.1386 -9.5951 -9.5951 -9.5951 -9.5951 -9.4732 -9.4732 -9.4732 -9.4732 -9.2526 -9.2526 -9.2526 -9.2526 -9.2322 -9.2322 -9.2321 -9.2321 -2.9963 -2.9963 -2.9962 -2.9962 -2.9348 -2.9348 -2.9347 -2.9347 -1.3466 -1.3466 -1.3465 -1.3465 -1.0602 -1.0602 -1.0602 -1.0602 -0.8673 -0.8673 -0.8673 -0.8673 -0.5775 -0.5775 -0.5775 -0.5775 -0.4333 -0.4333 -0.4333 -0.4333 -0.2212 -0.2212 -0.2212 -0.2212 0.0318 0.0318 0.0319 0.0319 0.4355 0.4355 0.4355 0.4355 0.6363 0.6363 0.6363 0.6363 0.8143 0.8143 0.8143 0.8143 0.9441 0.9441 0.9441 0.9441 1.2271 1.2271 1.2271 1.2271 1.3539 1.3539 1.3539 1.3539 1.5118 1.5118 1.5118 1.5118 1.6503 1.6503 1.6503 1.6503 1.8997 1.8997 1.8997 1.8997 5.1884 5.1884 5.1885 5.1885 5.6511 5.6511 5.6512 5.6512 6.0266 6.0266 6.0267 6.0267 6.6786 6.6786 6.6786 6.6786 6.7939 6.7939 6.7939 6.7939 k = 0.0000 0.0188 0.2682 ( 16866 PWs) bands (ev): -10.7132 -10.7132 -10.7099 -10.7099 -10.1405 -10.1405 -10.1368 -10.1368 -9.6085 -9.6085 -9.5817 -9.5817 -9.4829 -9.4829 -9.4634 -9.4634 -9.2553 -9.2553 -9.2499 -9.2499 -9.2339 -9.2339 -9.2303 -9.2303 -2.9979 -2.9979 -2.9946 -2.9946 -2.9353 -2.9353 -2.9347 -2.9347 -1.3492 -1.3492 -1.3435 -1.3435 -1.0667 -1.0667 -1.0541 -1.0541 -0.8710 -0.8710 -0.8628 -0.8628 -0.5810 -0.5810 -0.5728 -0.5728 -0.4418 -0.4418 -0.4245 -0.4245 -0.2295 -0.2295 -0.2139 -0.2139 0.0266 0.0266 0.0366 0.0366 0.4202 0.4202 0.4493 0.4493 0.6262 0.6262 0.6462 0.6462 0.8093 0.8093 0.8202 0.8202 0.9350 0.9350 0.9530 0.9530 1.2191 1.2191 1.2357 1.2357 1.3491 1.3491 1.3591 1.3591 1.5053 1.5053 1.5184 1.5184 1.6424 1.6424 1.6587 1.6587 1.8864 1.8864 1.9125 1.9125 5.1858 5.1858 5.1891 5.1891 5.6365 5.6365 5.6665 5.6665 6.0099 6.0099 6.0429 6.0429 6.6447 6.6447 6.7108 6.7108 6.7580 6.7580 6.8338 6.8338 k = 0.0000 0.0375 0.2682 ( 16880 PWs) bands (ev): -10.7146 -10.7146 -10.7080 -10.7080 -10.1423 -10.1423 -10.1349 -10.1349 -9.6218 -9.6218 -9.5686 -9.5686 -9.4923 -9.4923 -9.4539 -9.4539 -9.2581 -9.2581 -9.2474 -9.2474 -9.2357 -9.2357 -9.2285 -9.2285 -2.9993 -2.9993 -2.9928 -2.9928 -2.9363 -2.9363 -2.9351 -2.9351 -1.3514 -1.3514 -1.3401 -1.3401 -1.0734 -1.0734 -1.0485 -1.0485 -0.8738 -0.8738 -0.8574 -0.8574 -0.5831 -0.5831 -0.5670 -0.5670 -0.4499 -0.4499 -0.4159 -0.4159 -0.2387 -0.2387 -0.2078 -0.2078 0.0211 0.0211 0.0407 0.0407 0.4037 0.4037 0.4609 0.4609 0.6163 0.6163 0.6555 0.6555 0.8052 0.8052 0.8269 0.8269 0.9261 0.9261 0.9615 0.9615 1.2115 1.2115 1.2446 1.2446 1.3452 1.3452 1.3645 1.3645 1.4990 1.4990 1.5248 1.5248 1.6352 1.6352 1.6676 1.6676 1.8735 1.8735 1.9243 1.9243 5.1815 5.1815 5.1875 5.1875 5.6230 5.6230 5.6823 5.6823 5.9924 5.9924 6.0588 6.0588 6.6119 6.6119 6.7162 6.7162 6.7504 6.7504 6.8744 6.8744 k = 0.0000 0.0563 0.2682 ( 16885 PWs) bands (ev): -10.7159 -10.7159 -10.7061 -10.7061 -10.1442 -10.1442 -10.1331 -10.1331 -9.6347 -9.6347 -9.5565 -9.5565 -9.5008 -9.5008 -9.4446 -9.4446 -9.2609 -9.2609 -9.2449 -9.2449 -9.2374 -9.2374 -9.2266 -9.2266 -3.0005 -3.0005 -2.9910 -2.9910 -2.9379 -2.9379 -2.9360 -2.9360 -1.3534 -1.3534 -1.3363 -1.3363 -1.0800 -1.0800 -1.0436 -1.0436 -0.8758 -0.8758 -0.8516 -0.8516 -0.5837 -0.5837 -0.5604 -0.5604 -0.4573 -0.4573 -0.4076 -0.4076 -0.2484 -0.2484 -0.2031 -0.2031 0.0157 0.0157 0.0440 0.0440 0.3865 0.3865 0.4701 0.4701 0.6068 0.6068 0.6633 0.6633 0.8019 0.8019 0.8344 0.8344 0.9181 0.9181 0.9698 0.9698 1.2044 1.2044 1.2537 1.2537 1.3424 1.3424 1.3700 1.3700 1.4929 1.4929 1.5309 1.5309 1.6287 1.6287 1.6769 1.6769 1.8615 1.8615 1.9345 1.9345 5.1762 5.1762 5.1835 5.1835 5.6105 5.6105 5.6982 5.6982 5.9739 5.9739 6.0744 6.0744 6.5816 6.5816 6.6898 6.6898 6.7750 6.7750 6.9123 6.9123 k = 0.0000 0.0750 0.2682 ( 16903 PWs) bands (ev): -10.7172 -10.7172 -10.7040 -10.7040 -10.1461 -10.1461 -10.1314 -10.1314 -9.6472 -9.6472 -9.5468 -9.5468 -9.5069 -9.5069 -9.4358 -9.4358 -9.2639 -9.2639 -9.2425 -9.2425 -9.2391 -9.2391 -9.2247 -9.2247 -3.0016 -3.0016 -2.9892 -2.9892 -2.9400 -2.9400 -2.9372 -2.9372 -1.3550 -1.3550 -1.3321 -1.3321 -1.0864 -1.0864 -1.0394 -1.0394 -0.8771 -0.8771 -0.8453 -0.8453 -0.5829 -0.5829 -0.5529 -0.5529 -0.4638 -0.4638 -0.4000 -0.4000 -0.2583 -0.2583 -0.1998 -0.1998 0.0106 0.0106 0.0463 0.0463 0.3692 0.3692 0.4761 0.4761 0.5984 0.5984 0.6691 0.6691 0.7991 0.7991 0.8423 0.8423 0.9120 0.9120 0.9781 0.9781 1.1975 1.1975 1.2628 1.2628 1.3408 1.3408 1.3752 1.3752 1.4869 1.4869 1.5364 1.5364 1.6231 1.6231 1.6867 1.6867 1.8511 1.8511 1.9427 1.9427 5.1702 5.1702 5.1771 5.1771 5.5994 5.5994 5.7136 5.7136 5.9544 5.9544 6.0896 6.0896 6.5547 6.5547 6.6663 6.6663 6.7957 6.7957 6.9406 6.9406 k = 0.0000 0.0938 0.2682 ( 16901 PWs) bands (ev): -10.7184 -10.7184 -10.7017 -10.7017 -10.1480 -10.1480 -10.1296 -10.1296 -9.6592 -9.6592 -9.5430 -9.5430 -9.5072 -9.5072 -9.4276 -9.4276 -9.2669 -9.2669 -9.2407 -9.2407 -9.2401 -9.2401 -9.2229 -9.2229 -3.0023 -3.0023 -2.9876 -2.9876 -2.9426 -2.9426 -2.9386 -2.9386 -1.3564 -1.3564 -1.3275 -1.3275 -1.0925 -1.0925 -1.0359 -1.0359 -0.8777 -0.8777 -0.8389 -0.8389 -0.5808 -0.5808 -0.5449 -0.5449 -0.4693 -0.4693 -0.3934 -0.3934 -0.2681 -0.2681 -0.1979 -0.1979 0.0059 0.0059 0.0475 0.0475 0.3524 0.3524 0.4781 0.4781 0.5917 0.5917 0.6723 0.6723 0.7959 0.7959 0.8499 0.8499 0.9096 0.9096 0.9867 0.9867 1.1906 1.1906 1.2716 1.2716 1.3405 1.3405 1.3800 1.3800 1.4810 1.4810 1.5408 1.5408 1.6189 1.6189 1.6969 1.6969 1.8428 1.8428 1.9485 1.9485 5.1638 5.1638 5.1686 5.1686 5.5896 5.5896 5.7281 5.7281 5.9337 5.9337 6.1043 6.1043 6.5317 6.5317 6.6482 6.6482 6.8095 6.8095 6.9500 6.9500 k = 0.0000 0.1125 0.2682 ( 16890 PWs) bands (ev): -10.7195 -10.7195 -10.6993 -10.6993 -10.1499 -10.1499 -10.1279 -10.1279 -9.6705 -9.6705 -9.5462 -9.5462 -9.5004 -9.5004 -9.4199 -9.4199 -9.2699 -9.2699 -9.2424 -9.2424 -9.2377 -9.2377 -9.2210 -9.2210 -3.0028 -3.0028 -2.9862 -2.9862 -2.9457 -2.9457 -2.9400 -2.9400 -1.3576 -1.3576 -1.3225 -1.3225 -1.0979 -1.0979 -1.0333 -1.0333 -0.8777 -0.8777 -0.8326 -0.8326 -0.5776 -0.5776 -0.5364 -0.5364 -0.4736 -0.4736 -0.3879 -0.3879 -0.2774 -0.2774 -0.1974 -0.1974 0.0019 0.0019 0.0477 0.0477 0.3364 0.3364 0.4755 0.4755 0.5876 0.5876 0.6728 0.6728 0.7918 0.7918 0.8552 0.8552 0.9132 0.9132 0.9959 0.9959 1.1838 1.1838 1.2797 1.2797 1.3414 1.3414 1.3843 1.3843 1.4749 1.4749 1.5439 1.5439 1.6164 1.6164 1.7074 1.7074 1.8370 1.8370 1.9519 1.9519 5.1568 5.1568 5.1588 5.1588 5.5811 5.5811 5.7411 5.7411 5.9122 5.9122 6.1182 6.1182 6.5128 6.5128 6.6359 6.6359 6.8166 6.8166 6.9428 6.9428 k = 0.0000 0.1313 0.2682 ( 16876 PWs) bands (ev): -10.7206 -10.7206 -10.6968 -10.6968 -10.1518 -10.1518 -10.1262 -10.1262 -9.6810 -9.6810 -9.5529 -9.5529 -9.4902 -9.4902 -9.4130 -9.4130 -9.2730 -9.2730 -9.2440 -9.2440 -9.2354 -9.2354 -9.2192 -9.2192 -3.0030 -3.0030 -2.9851 -2.9851 -2.9492 -2.9492 -2.9412 -2.9412 -1.3587 -1.3587 -1.3173 -1.3173 -1.1028 -1.1028 -1.0313 -1.0313 -0.8774 -0.8774 -0.8264 -0.8264 -0.5736 -0.5736 -0.5279 -0.5279 -0.4765 -0.4765 -0.3838 -0.3838 -0.2857 -0.2857 -0.1980 -0.1980 -0.0015 -0.0015 0.0467 0.0467 0.3218 0.3218 0.4680 0.4680 0.5864 0.5864 0.6711 0.6711 0.7863 0.7863 0.8570 0.8570 0.9240 0.9240 1.0058 1.0058 1.1771 1.1771 1.2867 1.2867 1.3433 1.3433 1.3881 1.3881 1.4686 1.4686 1.5457 1.5457 1.6160 1.6160 1.7179 1.7179 1.8339 1.8339 1.9528 1.9528 5.1459 5.1459 5.1517 5.1517 5.5741 5.5741 5.7520 5.7520 5.8904 5.8904 6.1310 6.1310 6.4982 6.4982 6.6294 6.6294 6.8185 6.8185 6.9289 6.9289 k = 0.0000 0.1501 0.2682 ( 16859 PWs) bands (ev): -10.7217 -10.7217 -10.6942 -10.6942 -10.1538 -10.1538 -10.1245 -10.1245 -9.6906 -9.6906 -9.5607 -9.5607 -9.4789 -9.4789 -9.4069 -9.4069 -9.2761 -9.2761 -9.2457 -9.2457 -9.2331 -9.2331 -9.2174 -9.2174 -3.0029 -3.0029 -2.9844 -2.9844 -2.9531 -2.9531 -2.9422 -2.9422 -1.3596 -1.3596 -1.3119 -1.3119 -1.1070 -1.1070 -1.0301 -1.0301 -0.8768 -0.8768 -0.8204 -0.8204 -0.5693 -0.5693 -0.5199 -0.5199 -0.4779 -0.4779 -0.3810 -0.3810 -0.2928 -0.2928 -0.1997 -0.1997 -0.0042 -0.0042 0.0447 0.0447 0.3089 0.3089 0.4561 0.4561 0.5880 0.5880 0.6676 0.6676 0.7796 0.7796 0.8559 0.8559 0.9403 0.9403 1.0164 1.0164 1.1706 1.1706 1.2922 1.2922 1.3458 1.3458 1.3913 1.3913 1.4621 1.4621 1.5465 1.5465 1.6178 1.6178 1.7282 1.7282 1.8335 1.8335 1.9513 1.9513 5.1332 5.1332 5.1456 5.1456 5.5684 5.5684 5.7604 5.7604 5.8687 5.8687 6.1427 6.1427 6.4874 6.4874 6.6285 6.6285 6.8169 6.8169 6.9137 6.9137 k = 0.0000 0.1688 0.2682 ( 16872 PWs) bands (ev): -10.7229 -10.7229 -10.6916 -10.6916 -10.1557 -10.1557 -10.1229 -10.1229 -9.6993 -9.6993 -9.5686 -9.5686 -9.4676 -9.4676 -9.4017 -9.4017 -9.2791 -9.2791 -9.2474 -9.2474 -9.2307 -9.2307 -9.2157 -9.2157 -3.0024 -3.0024 -2.9841 -2.9841 -2.9573 -2.9573 -2.9427 -2.9427 -1.3604 -1.3604 -1.3063 -1.3063 -1.1104 -1.1104 -1.0296 -1.0296 -0.8759 -0.8759 -0.8145 -0.8145 -0.5651 -0.5651 -0.5131 -0.5131 -0.4778 -0.4778 -0.3791 -0.3791 -0.2984 -0.2984 -0.2021 -0.2021 -0.0064 -0.0064 0.0418 0.0418 0.2981 0.2981 0.4409 0.4409 0.5914 0.5914 0.6633 0.6633 0.7722 0.7722 0.8532 0.8532 0.9597 0.9597 1.0275 1.0275 1.1648 1.1648 1.2961 1.2961 1.3485 1.3485 1.3939 1.3939 1.4555 1.4555 1.5469 1.5469 1.6217 1.6217 1.7379 1.7379 1.8356 1.8356 1.9477 1.9477 5.1199 5.1199 5.1396 5.1396 5.5641 5.5641 5.7658 5.7658 5.8479 5.8479 6.1530 6.1530 6.4803 6.4803 6.6328 6.6328 6.8130 6.8130 6.8991 6.8991 k = 0.0000 0.1876 0.2682 ( 16872 PWs) bands (ev): -10.7241 -10.7241 -10.6889 -10.6889 -10.1576 -10.1576 -10.1212 -10.1212 -9.7070 -9.7070 -9.5761 -9.5761 -9.4565 -9.4565 -9.3974 -9.3974 -9.2821 -9.2821 -9.2492 -9.2492 -9.2284 -9.2284 -9.2140 -9.2140 -3.0016 -3.0016 -2.9843 -2.9843 -2.9617 -2.9617 -2.9428 -2.9428 -1.3612 -1.3612 -1.3008 -1.3008 -1.1132 -1.1132 -1.0296 -1.0296 -0.8748 -0.8748 -0.8087 -0.8087 -0.5613 -0.5613 -0.5082 -0.5082 -0.4763 -0.4763 -0.3778 -0.3778 -0.3027 -0.3027 -0.2051 -0.2051 -0.0081 -0.0081 0.0382 0.0382 0.2895 0.2895 0.4236 0.4236 0.5954 0.5954 0.6589 0.6589 0.7648 0.7648 0.8494 0.8494 0.9798 0.9798 1.0391 1.0391 1.1602 1.1602 1.2980 1.2980 1.3510 1.3510 1.3957 1.3957 1.4492 1.4492 1.5474 1.5474 1.6271 1.6271 1.7468 1.7468 1.8400 1.8400 1.9425 1.9425 5.1068 5.1068 5.1336 5.1336 5.5611 5.5611 5.7678 5.7678 5.8288 5.8288 6.1618 6.1618 6.4761 6.4761 6.6415 6.6415 6.8080 6.8080 6.8846 6.8846 k = 0.0000 0.2063 0.2682 ( 16861 PWs) bands (ev): -10.7253 -10.7253 -10.6861 -10.6861 -10.1595 -10.1595 -10.1197 -10.1197 -9.7135 -9.7135 -9.5832 -9.5832 -9.4459 -9.4459 -9.3941 -9.3941 -9.2851 -9.2851 -9.2510 -9.2510 -9.2261 -9.2261 -9.2124 -9.2124 -3.0004 -3.0004 -2.9849 -2.9849 -2.9663 -2.9663 -2.9425 -2.9425 -1.3620 -1.3620 -1.2953 -1.2953 -1.1154 -1.1154 -1.0301 -1.0301 -0.8737 -0.8737 -0.8029 -0.8029 -0.5581 -0.5581 -0.5052 -0.5052 -0.4740 -0.4740 -0.3764 -0.3764 -0.3056 -0.3056 -0.2085 -0.2085 -0.0094 -0.0094 0.0342 0.0342 0.2829 0.2829 0.4056 0.4056 0.5986 0.5986 0.6558 0.6558 0.7582 0.7582 0.8443 0.8443 0.9986 0.9986 1.0511 1.0511 1.1575 1.1575 1.2979 1.2979 1.3528 1.3528 1.3965 1.3965 1.4440 1.4440 1.5483 1.5483 1.6337 1.6337 1.7548 1.7548 1.8459 1.8459 1.9363 1.9363 5.0942 5.0942 5.1276 5.1276 5.5592 5.5592 5.7659 5.7659 5.8122 5.8122 6.1693 6.1693 6.4740 6.4740 6.6538 6.6538 6.8026 6.8026 6.8664 6.8664 k = 0.0000 0.2251 0.2682 ( 16861 PWs) bands (ev): -10.7267 -10.7267 -10.6834 -10.6834 -10.1614 -10.1614 -10.1181 -10.1181 -9.7189 -9.7189 -9.5897 -9.5897 -9.4360 -9.4360 -9.3918 -9.3918 -9.2880 -9.2880 -9.2529 -9.2529 -9.2237 -9.2237 -9.2109 -9.2109 -2.9988 -2.9988 -2.9858 -2.9858 -2.9710 -2.9710 -2.9417 -2.9417 -1.3627 -1.3627 -1.2901 -1.2901 -1.1170 -1.1170 -1.0309 -1.0309 -0.8727 -0.8727 -0.7971 -0.7971 -0.5558 -0.5558 -0.5035 -0.5035 -0.4720 -0.4720 -0.3749 -0.3749 -0.3074 -0.3074 -0.2121 -0.2121 -0.0107 -0.0107 0.0300 0.0300 0.2782 0.2782 0.3880 0.3880 0.5993 0.5993 0.6555 0.6555 0.7533 0.7533 0.8381 0.8381 1.0141 1.0141 1.0632 1.0632 1.1578 1.1578 1.2955 1.2955 1.3538 1.3538 1.3961 1.3961 1.4406 1.4406 1.5497 1.5497 1.6411 1.6411 1.7619 1.7619 1.8522 1.8522 1.9304 1.9304 5.0826 5.0826 5.1214 5.1214 5.5584 5.5584 5.7600 5.7600 5.7989 5.7989 6.1756 6.1756 6.4728 6.4728 6.6680 6.6680 6.7973 6.7973 6.8447 6.8447 k = 0.0000 0.2438 0.2682 ( 16852 PWs) bands (ev): -10.7281 -10.7281 -10.6806 -10.6806 -10.1633 -10.1633 -10.1166 -10.1166 -9.7230 -9.7230 -9.5954 -9.5954 -9.4268 -9.4268 -9.3907 -9.3907 -9.2907 -9.2907 -9.2550 -9.2550 -9.2214 -9.2214 -9.2094 -9.2094 -2.9969 -2.9969 -2.9867 -2.9867 -2.9756 -2.9756 -2.9406 -2.9406 -1.3635 -1.3635 -1.2851 -1.2851 -1.1181 -1.1181 -1.0319 -1.0319 -0.8718 -0.8718 -0.7913 -0.7913 -0.5542 -0.5542 -0.5029 -0.5029 -0.4708 -0.4708 -0.3735 -0.3735 -0.3081 -0.3081 -0.2158 -0.2158 -0.0119 -0.0119 0.0259 0.0259 0.2748 0.2748 0.3723 0.3723 0.5966 0.5966 0.6586 0.6586 0.7508 0.7508 0.8305 0.8305 1.0250 1.0250 1.0746 1.0746 1.1622 1.1622 1.2907 1.2907 1.3539 1.3539 1.3948 1.3948 1.4397 1.4397 1.5513 1.5513 1.6489 1.6489 1.7685 1.7685 1.8570 1.8570 1.9264 1.9264 5.0725 5.0725 5.1149 5.1149 5.5586 5.5586 5.7507 5.7507 5.7884 5.7884 6.1810 6.1810 6.4711 6.4711 6.6811 6.6811 6.7919 6.7919 6.8268 6.8268 k = 0.0000 0.2626 0.2682 ( 16850 PWs) bands (ev): -10.7297 -10.7297 -10.6779 -10.6779 -10.1651 -10.1651 -10.1152 -10.1152 -9.7259 -9.7259 -9.6004 -9.6004 -9.4184 -9.4184 -9.3906 -9.3906 -9.2934 -9.2934 -9.2571 -9.2571 -9.2190 -9.2190 -9.2081 -9.2081 -2.9950 -2.9950 -2.9876 -2.9876 -2.9799 -2.9799 -2.9393 -2.9393 -1.3644 -1.3644 -1.2805 -1.2805 -1.1190 -1.1190 -1.0329 -1.0329 -0.8713 -0.8713 -0.7855 -0.7855 -0.5532 -0.5532 -0.5027 -0.5027 -0.4705 -0.4705 -0.3729 -0.3729 -0.3076 -0.3076 -0.2195 -0.2195 -0.0133 -0.0133 0.0220 0.0220 0.2719 0.2719 0.3597 0.3597 0.5909 0.5909 0.6644 0.6644 0.7511 0.7511 0.8216 0.8216 1.0313 1.0313 1.0831 1.0831 1.1717 1.1717 1.2838 1.2838 1.3528 1.3528 1.3936 1.3936 1.4412 1.4412 1.5529 1.5529 1.6568 1.6568 1.7747 1.7747 1.8581 1.8581 1.9264 1.9264 5.0641 5.0641 5.1082 5.1082 5.5594 5.5594 5.7400 5.7400 5.7794 5.7794 6.1858 6.1858 6.4674 6.4674 6.6868 6.6868 6.7881 6.7881 6.8191 6.8191 k = 0.0000 0.2626 0.2682 ( 16850 PWs) bands (ev): -10.7297 -10.7297 -10.6779 -10.6779 -10.1651 -10.1651 -10.1152 -10.1152 -9.7259 -9.7259 -9.6004 -9.6004 -9.4184 -9.4184 -9.3906 -9.3906 -9.2934 -9.2934 -9.2571 -9.2571 -9.2190 -9.2190 -9.2081 -9.2081 -2.9950 -2.9950 -2.9876 -2.9876 -2.9799 -2.9799 -2.9393 -2.9393 -1.3644 -1.3644 -1.2805 -1.2805 -1.1190 -1.1190 -1.0329 -1.0329 -0.8713 -0.8713 -0.7855 -0.7855 -0.5532 -0.5532 -0.5027 -0.5027 -0.4705 -0.4705 -0.3729 -0.3729 -0.3076 -0.3076 -0.2195 -0.2195 -0.0133 -0.0133 0.0220 0.0220 0.2719 0.2719 0.3597 0.3597 0.5909 0.5909 0.6644 0.6644 0.7511 0.7511 0.8216 0.8216 1.0313 1.0313 1.0831 1.0831 1.1717 1.1717 1.2838 1.2838 1.3528 1.3528 1.3936 1.3936 1.4412 1.4412 1.5529 1.5529 1.6568 1.6568 1.7747 1.7747 1.8581 1.8581 1.9264 1.9264 5.0641 5.0641 5.1082 5.1082 5.5594 5.5594 5.7400 5.7400 5.7794 5.7794 6.1858 6.1858 6.4674 6.4674 6.6868 6.6868 6.7881 6.7881 6.8191 6.8191 k = 0.0000 0.2703 0.2534 ( 16853 PWs) bands (ev): -10.7264 -10.7264 -10.6817 -10.6817 -10.1614 -10.1614 -10.1181 -10.1181 -9.7209 -9.7209 -9.6120 -9.6120 -9.4141 -9.4141 -9.3900 -9.3900 -9.2881 -9.2881 -9.2534 -9.2534 -9.2237 -9.2237 -9.2109 -9.2109 -2.9928 -2.9928 -2.9876 -2.9876 -2.9794 -2.9794 -2.9411 -2.9411 -1.3593 -1.3593 -1.2865 -1.2865 -1.1167 -1.1167 -1.0420 -1.0420 -0.8585 -0.8585 -0.7822 -0.7822 -0.5552 -0.5552 -0.5058 -0.5058 -0.4715 -0.4715 -0.3805 -0.3805 -0.3056 -0.3056 -0.2251 -0.2251 -0.0061 -0.0061 0.0268 0.0268 0.2705 0.2705 0.3517 0.3517 0.5848 0.5848 0.6600 0.6600 0.7397 0.7397 0.8068 0.8068 1.0401 1.0401 1.0854 1.0854 1.1869 1.1869 1.2858 1.2858 1.3556 1.3556 1.3966 1.3966 1.4440 1.4440 1.5455 1.5455 1.6703 1.6703 1.7846 1.7846 1.8644 1.8644 1.9237 1.9237 5.0589 5.0589 5.0986 5.0986 5.5736 5.5736 5.7453 5.7453 5.7880 5.7880 6.1522 6.1522 6.4786 6.4786 6.6865 6.6865 6.7575 6.7575 6.8123 6.8123 k = 0.0000 0.2780 0.2387 ( 16853 PWs) bands (ev): -10.7230 -10.7230 -10.6856 -10.6856 -10.1576 -10.1576 -10.1213 -10.1213 -9.7152 -9.7152 -9.6234 -9.6234 -9.4101 -9.4101 -9.3897 -9.3897 -9.2827 -9.2827 -9.2497 -9.2497 -9.2286 -9.2286 -9.2139 -9.2139 -2.9918 -2.9918 -2.9878 -2.9878 -2.9773 -2.9773 -2.9433 -2.9433 -1.3540 -1.3540 -1.2926 -1.2926 -1.1138 -1.1138 -1.0508 -1.0508 -0.8458 -0.8458 -0.7801 -0.7801 -0.5563 -0.5563 -0.5103 -0.5103 -0.4704 -0.4704 -0.3894 -0.3894 -0.3022 -0.3022 -0.2312 -0.2312 0.0009 0.0009 0.0304 0.0304 0.2706 0.2706 0.3431 0.3431 0.5814 0.5814 0.6538 0.6538 0.7310 0.7310 0.7924 0.7924 1.0483 1.0483 1.0869 1.0869 1.2021 1.2021 1.2868 1.2868 1.3582 1.3582 1.3974 1.3974 1.4489 1.4489 1.5370 1.5370 1.6855 1.6855 1.7901 1.7901 1.8718 1.8718 1.9220 1.9220 5.0545 5.0545 5.0890 5.0890 5.5884 5.5884 5.7381 5.7381 5.8090 5.8090 6.1186 6.1186 6.4902 6.4902 6.6827 6.6827 6.7252 6.7252 6.7963 6.7963 k = 0.0000 0.2857 0.2240 ( 16851 PWs) bands (ev): -10.7195 -10.7195 -10.6894 -10.6894 -10.1538 -10.1538 -10.1245 -10.1245 -9.7087 -9.7087 -9.6346 -9.6346 -9.4064 -9.4064 -9.3900 -9.3900 -9.2772 -9.2772 -9.2459 -9.2459 -9.2336 -9.2336 -9.2170 -9.2170 -2.9914 -2.9914 -2.9883 -2.9883 -2.9740 -2.9740 -2.9457 -2.9457 -1.3485 -1.3485 -1.2989 -1.2989 -1.1102 -1.1102 -1.0593 -1.0593 -0.8335 -0.8335 -0.7795 -0.7795 -0.5563 -0.5563 -0.5162 -0.5162 -0.4673 -0.4673 -0.3992 -0.3992 -0.2975 -0.2975 -0.2380 -0.2380 0.0075 0.0075 0.0326 0.0326 0.2725 0.2725 0.3340 0.3340 0.5809 0.5809 0.6454 0.6454 0.7259 0.7259 0.7786 0.7786 1.0559 1.0559 1.0874 1.0874 1.2168 1.2168 1.2863 1.2863 1.3610 1.3610 1.3959 1.3959 1.4559 1.4559 1.5280 1.5280 1.7013 1.7013 1.7907 1.7907 1.8803 1.8803 1.9209 1.9209 5.0513 5.0513 5.0796 5.0796 5.6038 5.6038 5.7264 5.7264 5.8347 5.8347 6.0849 6.0849 6.5031 6.5031 6.6771 6.6771 6.6948 6.6948 6.7691 6.7691 k = 0.0000 0.2933 0.2092 ( 16852 PWs) bands (ev): -10.7159 -10.7159 -10.6933 -10.6933 -10.1499 -10.1499 -10.1279 -10.1279 -9.7015 -9.7015 -9.6455 -9.6455 -9.4031 -9.4031 -9.3906 -9.3906 -9.2717 -9.2717 -9.2421 -9.2421 -9.2388 -9.2388 -9.2203 -9.2203 -2.9912 -2.9912 -2.9889 -2.9889 -2.9702 -2.9702 -2.9485 -2.9485 -1.3428 -1.3428 -1.3053 -1.3053 -1.1059 -1.1059 -1.0674 -1.0674 -0.8219 -0.8219 -0.7805 -0.7805 -0.5550 -0.5550 -0.5228 -0.5228 -0.4624 -0.4624 -0.4096 -0.4096 -0.2916 -0.2916 -0.2453 -0.2453 0.0136 0.0136 0.0335 0.0335 0.2762 0.2762 0.3245 0.3245 0.5830 0.5830 0.6353 0.6353 0.7243 0.7243 0.7659 0.7659 1.0629 1.0629 1.0869 1.0869 1.2308 1.2308 1.2841 1.2841 1.3643 1.3643 1.3928 1.3928 1.4641 1.4641 1.5189 1.5189 1.7170 1.7170 1.7872 1.7872 1.8891 1.8891 1.9198 1.9198 5.0494 5.0494 5.0711 5.0711 5.6195 5.6195 5.7128 5.7128 5.8626 5.8626 6.0515 6.0515 6.5181 6.5181 6.6594 6.6594 6.6792 6.6792 6.7425 6.7425 k = 0.0000 0.3010 0.1945 ( 16853 PWs) bands (ev): -10.7122 -10.7122 -10.6972 -10.6972 -10.1461 -10.1461 -10.1314 -10.1314 -9.6936 -9.6936 -9.6561 -9.6561 -9.4001 -9.4001 -9.3917 -9.3917 -9.2661 -9.2661 -9.2441 -9.2441 -9.2383 -9.2383 -9.2237 -9.2237 -2.9910 -2.9910 -2.9895 -2.9895 -2.9662 -2.9662 -2.9516 -2.9516 -1.3368 -1.3368 -1.3117 -1.3117 -1.1009 -1.1009 -1.0751 -1.0751 -0.8113 -0.8113 -0.7832 -0.7832 -0.5523 -0.5523 -0.5297 -0.5297 -0.4561 -0.4561 -0.4201 -0.4201 -0.2848 -0.2848 -0.2531 -0.2531 0.0191 0.0191 0.0329 0.0329 0.2816 0.2816 0.3150 0.3150 0.5876 0.5876 0.6244 0.6244 0.7258 0.7258 0.7544 0.7544 1.0691 1.0691 1.0854 1.0854 1.2437 1.2437 1.2799 1.2799 1.3683 1.3683 1.3884 1.3884 1.4730 1.4730 1.5098 1.5098 1.7321 1.7321 1.7803 1.7803 1.8975 1.8975 1.9180 1.9180 5.0490 5.0490 5.0636 5.0636 5.6354 5.6354 5.6981 5.6981 5.8919 5.8919 6.0184 6.0184 6.5357 6.5357 6.6315 6.6315 6.6778 6.6778 6.7197 6.7197 k = 0.0000 0.3087 0.1798 ( 16867 PWs) bands (ev): -10.7085 -10.7085 -10.7010 -10.7010 -10.1423 -10.1423 -10.1349 -10.1349 -9.6850 -9.6850 -9.6662 -9.6662 -9.3974 -9.3974 -9.3933 -9.3933 -9.2605 -9.2605 -9.2495 -9.2495 -9.2346 -9.2346 -9.2273 -9.2273 -2.9908 -2.9908 -2.9900 -2.9900 -2.9623 -2.9623 -2.9549 -2.9549 -1.3308 -1.3308 -1.3182 -1.3182 -1.0953 -1.0953 -1.0823 -1.0823 -0.8020 -0.8020 -0.7878 -0.7878 -0.5482 -0.5482 -0.5366 -0.5366 -0.4485 -0.4485 -0.4302 -0.4302 -0.2773 -0.2773 -0.2612 -0.2612 0.0239 0.0239 0.0310 0.0310 0.2885 0.2885 0.3056 0.3056 0.5945 0.5945 0.6134 0.6134 0.7299 0.7299 0.7445 0.7445 1.0746 1.0746 1.0828 1.0828 1.2553 1.2553 1.2736 1.2736 1.3730 1.3730 1.3834 1.3834 1.4822 1.4822 1.5006 1.5006 1.7464 1.7464 1.7708 1.7708 1.9049 1.9049 1.9151 1.9151 5.0502 5.0502 5.0575 5.0575 5.6513 5.6513 5.6828 5.6828 5.9223 5.9223 5.9858 5.9858 6.5560 6.5560 6.6043 6.6043 6.6812 6.6812 6.7018 6.7018 k = 0.0000 0.3164 0.1650 ( 16870 PWs) bands (ev): -10.7048 -10.7048 -10.7048 -10.7048 -10.1386 -10.1386 -10.1386 -10.1386 -9.6759 -9.6759 -9.6759 -9.6759 -9.3952 -9.3952 -9.3951 -9.3951 -9.2550 -9.2550 -9.2550 -9.2550 -9.2309 -9.2309 -9.2309 -9.2309 -2.9904 -2.9904 -2.9904 -2.9904 -2.9585 -2.9585 -2.9585 -2.9585 -1.3245 -1.3245 -1.3245 -1.3245 -1.0891 -1.0891 -1.0891 -1.0891 -0.7940 -0.7940 -0.7940 -0.7940 -0.5428 -0.5428 -0.5428 -0.5428 -0.4398 -0.4398 -0.4398 -0.4398 -0.2694 -0.2694 -0.2694 -0.2694 0.0280 0.0280 0.0280 0.0280 0.2966 0.2966 0.2966 0.2966 0.6033 0.6033 0.6033 0.6033 0.7363 0.7363 0.7363 0.7363 1.0791 1.0791 1.0792 1.0792 1.2654 1.2654 1.2654 1.2654 1.3781 1.3781 1.3781 1.3781 1.4914 1.4914 1.4914 1.4914 1.7594 1.7594 1.7594 1.7594 1.9108 1.9108 1.9108 1.9108 5.0530 5.0530 5.0530 5.0530 5.6672 5.6672 5.6672 5.6672 5.9537 5.9537 5.9537 5.9537 6.5790 6.5790 6.5790 6.5790 6.6890 6.6890 6.6890 6.6890 k = 0.0000 0.3164 0.1650 ( 16870 PWs) bands (ev): -10.7048 -10.7048 -10.7048 -10.7048 -10.1386 -10.1386 -10.1386 -10.1386 -9.6759 -9.6759 -9.6759 -9.6759 -9.3952 -9.3952 -9.3951 -9.3951 -9.2550 -9.2550 -9.2550 -9.2550 -9.2309 -9.2309 -9.2309 -9.2309 -2.9904 -2.9904 -2.9904 -2.9904 -2.9585 -2.9585 -2.9585 -2.9585 -1.3245 -1.3245 -1.3245 -1.3245 -1.0891 -1.0891 -1.0891 -1.0891 -0.7940 -0.7940 -0.7940 -0.7940 -0.5428 -0.5428 -0.5428 -0.5428 -0.4398 -0.4398 -0.4398 -0.4398 -0.2694 -0.2694 -0.2694 -0.2694 0.0280 0.0280 0.0280 0.0280 0.2966 0.2966 0.2966 0.2966 0.6033 0.6033 0.6033 0.6033 0.7363 0.7363 0.7363 0.7363 1.0791 1.0791 1.0792 1.0792 1.2654 1.2654 1.2654 1.2654 1.3781 1.3781 1.3781 1.3781 1.4914 1.4914 1.4914 1.4914 1.7594 1.7594 1.7594 1.7594 1.9108 1.9108 1.9108 1.9108 5.0530 5.0530 5.0530 5.0530 5.6672 5.6672 5.6672 5.6672 5.9537 5.9537 5.9537 5.9537 6.5790 6.5790 6.5790 6.5790 6.6890 6.6890 6.6890 6.6890 k = 0.0192 0.3164 0.1650 ( 16860 PWs) bands (ev): -10.7045 -10.7045 -10.7045 -10.7045 -10.1388 -10.1388 -10.1388 -10.1388 -9.6756 -9.6756 -9.6755 -9.6755 -9.3952 -9.3952 -9.3951 -9.3951 -9.2551 -9.2551 -9.2551 -9.2551 -9.2312 -9.2312 -9.2312 -9.2312 -2.9911 -2.9911 -2.9901 -2.9901 -2.9589 -2.9589 -2.9580 -2.9580 -1.3256 -1.3256 -1.3254 -1.3254 -1.0908 -1.0908 -1.0890 -1.0890 -0.7999 -0.7999 -0.7914 -0.7914 -0.5466 -0.5466 -0.5379 -0.5379 -0.4413 -0.4413 -0.4374 -0.4374 -0.2700 -0.2700 -0.2659 -0.2659 0.0268 0.0268 0.0281 0.0281 0.2951 0.2951 0.2985 0.2985 0.6009 0.6009 0.6074 0.6074 0.7299 0.7299 0.7423 0.7423 1.0768 1.0768 1.0803 1.0803 1.2636 1.2636 1.2677 1.2677 1.3749 1.3749 1.3806 1.3806 1.4910 1.4910 1.4939 1.4939 1.7562 1.7562 1.7627 1.7627 1.9016 1.9016 1.9217 1.9217 5.0531 5.0531 5.0540 5.0540 5.6672 5.6672 5.6679 5.6679 5.9546 5.9546 5.9553 5.9553 6.5790 6.5790 6.5799 6.5799 6.6892 6.6892 6.6903 6.6903 k = 0.0385 0.3164 0.1650 ( 16848 PWs) bands (ev): -10.7037 -10.7037 -10.7036 -10.7036 -10.1394 -10.1394 -10.1394 -10.1394 -9.6746 -9.6746 -9.6746 -9.6746 -9.3951 -9.3951 -9.3951 -9.3951 -9.2556 -9.2556 -9.2555 -9.2555 -9.2322 -9.2322 -9.2321 -9.2321 -2.9922 -2.9922 -2.9901 -2.9901 -2.9593 -2.9593 -2.9574 -2.9574 -1.3287 -1.3287 -1.3283 -1.3283 -1.0943 -1.0943 -1.0907 -1.0907 -0.8086 -0.8086 -0.7922 -0.7922 -0.5489 -0.5489 -0.5323 -0.5323 -0.4418 -0.4418 -0.4341 -0.4341 -0.2678 -0.2678 -0.2600 -0.2600 0.0249 0.0249 0.0270 0.0270 0.2938 0.2938 0.3005 0.3005 0.6004 0.6004 0.6130 0.6130 0.7232 0.7232 0.7482 0.7482 1.0734 1.0734 1.0806 1.0806 1.2629 1.2629 1.2700 1.2700 1.3711 1.3711 1.3822 1.3822 1.4931 1.4931 1.4981 1.4981 1.7536 1.7536 1.7660 1.7660 1.8947 1.8947 1.9341 1.9341 5.0543 5.0543 5.0561 5.0561 5.6680 5.6680 5.6694 5.6694 5.9580 5.9580 5.9594 5.9594 6.5800 6.5800 6.5817 6.5817 6.6909 6.6909 6.6931 6.6931 k = 0.0577 0.3164 0.1650 ( 16858 PWs) bands (ev): -10.7023 -10.7023 -10.7022 -10.7022 -10.1404 -10.1404 -10.1404 -10.1404 -9.6730 -9.6730 -9.6730 -9.6730 -9.3951 -9.3951 -9.3951 -9.3951 -9.2563 -9.2563 -9.2563 -9.2563 -9.2338 -9.2338 -9.2337 -9.2337 -2.9935 -2.9935 -2.9906 -2.9906 -2.9596 -2.9596 -2.9569 -2.9569 -1.3337 -1.3337 -1.3329 -1.3329 -1.0993 -1.0993 -1.0940 -1.0940 -0.8198 -0.8198 -0.7964 -0.7964 -0.5495 -0.5495 -0.5267 -0.5267 -0.4413 -0.4413 -0.4301 -0.4301 -0.2624 -0.2624 -0.2518 -0.2518 0.0225 0.0225 0.0249 0.0249 0.2929 0.2929 0.3029 0.3029 0.6019 0.6019 0.6193 0.6193 0.7166 0.7166 0.7541 0.7541 1.0692 1.0692 1.0801 1.0801 1.2631 1.2631 1.2717 1.2717 1.3672 1.3672 1.3829 1.3829 1.4977 1.4977 1.5033 1.5033 1.7518 1.7518 1.7688 1.7688 1.8900 1.8900 1.9476 1.9476 5.0566 5.0566 5.0593 5.0593 5.6694 5.6694 5.6714 5.6714 5.9642 5.9642 5.9661 5.9661 6.5817 6.5817 6.5840 6.5840 6.6944 6.6944 6.6978 6.6978 k = 0.0769 0.3164 0.1650 ( 16858 PWs) bands (ev): -10.7003 -10.7003 -10.7003 -10.7003 -10.1418 -10.1418 -10.1418 -10.1418 -9.6708 -9.6708 -9.6708 -9.6708 -9.3951 -9.3951 -9.3950 -9.3950 -9.2573 -9.2573 -9.2573 -9.2573 -9.2360 -9.2360 -9.2359 -9.2359 -2.9951 -2.9951 -2.9914 -2.9914 -2.9598 -2.9598 -2.9564 -2.9564 -1.3405 -1.3405 -1.3390 -1.3390 -1.1058 -1.1058 -1.0989 -1.0989 -0.8333 -0.8333 -0.8040 -0.8040 -0.5486 -0.5486 -0.5219 -0.5219 -0.4399 -0.4399 -0.4254 -0.4254 -0.2541 -0.2541 -0.2416 -0.2416 0.0198 0.0198 0.0217 0.0217 0.2925 0.2925 0.3054 0.3054 0.6052 0.6052 0.6255 0.6255 0.7107 0.7107 0.7604 0.7604 1.0646 1.0646 1.0792 1.0792 1.2639 1.2639 1.2720 1.2720 1.3635 1.3635 1.3831 1.3831 1.5045 1.5045 1.5091 1.5091 1.7512 1.7512 1.7711 1.7711 1.8878 1.8878 1.9617 1.9617 5.0599 5.0599 5.0635 5.0635 5.6714 5.6714 5.6738 5.6738 5.9734 5.9734 5.9755 5.9755 6.5840 6.5840 6.5865 6.5865 6.6999 6.6999 6.7049 6.7049 k = 0.0962 0.3164 0.1650 ( 16858 PWs) bands (ev): -10.6978 -10.6978 -10.6978 -10.6978 -10.1436 -10.1436 -10.1435 -10.1435 -9.6680 -9.6680 -9.6679 -9.6679 -9.3950 -9.3950 -9.3950 -9.3950 -9.2586 -9.2586 -9.2585 -9.2585 -9.2387 -9.2387 -9.2387 -9.2387 -2.9969 -2.9969 -2.9925 -2.9925 -2.9600 -2.9600 -2.9560 -2.9560 -1.3489 -1.3489 -1.3465 -1.3465 -1.1136 -1.1136 -1.1051 -1.1051 -0.8487 -0.8487 -0.8146 -0.8146 -0.5464 -0.5464 -0.5184 -0.5184 -0.4377 -0.4377 -0.4200 -0.4200 -0.2428 -0.2428 -0.2299 -0.2299 0.0175 0.0175 0.0176 0.0176 0.2926 0.2926 0.3080 0.3080 0.6102 0.6102 0.6305 0.6305 0.7066 0.7066 0.7675 0.7675 1.0601 1.0601 1.0782 1.0782 1.2647 1.2647 1.2706 1.2706 1.3605 1.3605 1.3830 1.3830 1.5130 1.5130 1.5151 1.5151 1.7519 1.7519 1.7729 1.7729 1.8878 1.8878 1.9761 1.9761 5.0642 5.0642 5.0686 5.0686 5.6738 5.6738 5.6763 5.6763 5.9858 5.9858 5.9879 5.9879 6.5866 6.5866 6.5888 6.5888 6.7079 6.7079 6.7148 6.7148 k = 0.1154 0.3164 0.1650 ( 16858 PWs) bands (ev): -10.6948 -10.6948 -10.6948 -10.6948 -10.1457 -10.1457 -10.1456 -10.1456 -9.6645 -9.6645 -9.6645 -9.6645 -9.3949 -9.3949 -9.3949 -9.3949 -9.2601 -9.2601 -9.2601 -9.2601 -9.2421 -9.2421 -9.2420 -9.2420 -2.9988 -2.9988 -2.9939 -2.9939 -2.9601 -2.9601 -2.9558 -2.9558 -1.3586 -1.3586 -1.3551 -1.3551 -1.1225 -1.1225 -1.1125 -1.1125 -0.8657 -0.8657 -0.8281 -0.8281 -0.5433 -0.5433 -0.5166 -0.5166 -0.4348 -0.4348 -0.4142 -0.4142 -0.2291 -0.2291 -0.2170 -0.2170 0.0129 0.0129 0.0158 0.0158 0.2937 0.2937 0.3109 0.3109 0.6166 0.6166 0.6329 0.6329 0.7057 0.7057 0.7755 0.7755 1.0562 1.0562 1.0772 1.0772 1.2647 1.2647 1.2677 1.2677 1.3584 1.3584 1.3828 1.3828 1.5212 1.5212 1.5224 1.5224 1.7539 1.7539 1.7745 1.7745 1.8896 1.8896 1.9905 1.9905 5.0694 5.0694 5.0746 5.0746 5.6763 5.6763 5.6788 5.6788 6.0014 6.0014 6.0034 6.0034 6.5892 6.5892 6.5910 6.5910 6.7187 6.7187 6.7279 6.7279 k = 0.1346 0.3164 0.1650 ( 16874 PWs) bands (ev): -10.6914 -10.6914 -10.6913 -10.6913 -10.1482 -10.1482 -10.1481 -10.1481 -9.6605 -9.6605 -9.6605 -9.6605 -9.3949 -9.3949 -9.3949 -9.3949 -9.2619 -9.2619 -9.2619 -9.2619 -9.2460 -9.2460 -9.2459 -9.2459 -3.0007 -3.0007 -2.9955 -2.9955 -2.9602 -2.9602 -2.9556 -2.9556 -1.3694 -1.3694 -1.3645 -1.3645 -1.1322 -1.1322 -1.1209 -1.1209 -0.8841 -0.8841 -0.8439 -0.8439 -0.5397 -0.5397 -0.5166 -0.5166 -0.4312 -0.4312 -0.4082 -0.4082 -0.2132 -0.2132 -0.2036 -0.2036 0.0077 0.0077 0.0150 0.0150 0.2959 0.2959 0.3138 0.3138 0.6242 0.6242 0.6321 0.6321 0.7087 0.7087 0.7847 0.7847 1.0531 1.0531 1.0763 1.0763 1.2632 1.2632 1.2633 1.2633 1.3577 1.3577 1.3829 1.3829 1.5272 1.5272 1.5320 1.5320 1.7572 1.7572 1.7761 1.7761 1.8927 1.8927 2.0044 2.0044 5.0755 5.0755 5.0814 5.0814 5.6790 5.6790 5.6812 5.6812 6.0204 6.0204 6.0220 6.0220 6.5922 6.5922 6.5930 6.5930 6.7324 6.7324 6.7441 6.7441 k = 0.1538 0.3164 0.1650 ( 16884 PWs) bands (ev): -10.6875 -10.6875 -10.6874 -10.6874 -10.1510 -10.1510 -10.1509 -10.1509 -9.6560 -9.6560 -9.6559 -9.6559 -9.3949 -9.3949 -9.3948 -9.3948 -9.2639 -9.2639 -9.2639 -9.2639 -9.2503 -9.2503 -9.2502 -9.2502 -3.0027 -3.0027 -2.9973 -2.9973 -2.9604 -2.9604 -2.9556 -2.9556 -1.3810 -1.3810 -1.3745 -1.3745 -1.1425 -1.1425 -1.1301 -1.1301 -0.9035 -0.9035 -0.8618 -0.8618 -0.5360 -0.5360 -0.5184 -0.5184 -0.4272 -0.4272 -0.4025 -0.4025 -0.1957 -0.1957 -0.1902 -0.1902 0.0022 0.0022 0.0155 0.0155 0.2996 0.2996 0.3171 0.3171 0.6289 0.6289 0.6329 0.6329 0.7151 0.7151 0.7951 0.7951 1.0509 1.0509 1.0755 1.0755 1.2577 1.2577 1.2603 1.2603 1.3582 1.3582 1.3831 1.3831 1.5334 1.5334 1.5411 1.5411 1.7617 1.7617 1.7779 1.7779 1.8965 1.8965 2.0175 2.0175 5.0822 5.0822 5.0888 5.0888 5.6817 5.6817 5.6835 5.6835 6.0425 6.0425 6.0436 6.0436 6.5954 6.5954 6.5955 6.5955 6.7488 6.7488 6.7635 6.7635 k = 0.1731 0.3164 0.1650 ( 16882 PWs) bands (ev): -10.6831 -10.6831 -10.6831 -10.6831 -10.1541 -10.1541 -10.1541 -10.1541 -9.6509 -9.6509 -9.6508 -9.6508 -9.3949 -9.3949 -9.3949 -9.3949 -9.2663 -9.2663 -9.2662 -9.2662 -9.2550 -9.2550 -9.2548 -9.2548 -3.0047 -3.0047 -2.9992 -2.9992 -2.9605 -2.9605 -2.9557 -2.9557 -1.3931 -1.3931 -1.3849 -1.3849 -1.1532 -1.1532 -1.1397 -1.1397 -0.9237 -0.9237 -0.8812 -0.8812 -0.5325 -0.5325 -0.5216 -0.5216 -0.4228 -0.4228 -0.3977 -0.3977 -0.1774 -0.1774 -0.1774 -0.1774 -0.0035 -0.0035 0.0174 0.0174 0.3054 0.3054 0.3209 0.3209 0.6245 0.6245 0.6425 0.6425 0.7239 0.7239 0.8067 0.8067 1.0496 1.0496 1.0747 1.0747 1.2516 1.2516 1.2558 1.2558 1.3599 1.3599 1.3837 1.3837 1.5397 1.5397 1.5494 1.5494 1.7671 1.7671 1.7799 1.7799 1.9004 1.9004 2.0295 2.0295 5.0896 5.0896 5.0969 5.0969 5.6844 5.6844 5.6857 5.6857 6.0676 6.0676 6.0682 6.0682 6.5985 6.5985 6.5998 6.5998 6.7679 6.7679 6.7857 6.7857 k = 0.1923 0.3164 0.1650 ( 16884 PWs) bands (ev): -10.6785 -10.6785 -10.6784 -10.6784 -10.1575 -10.1575 -10.1575 -10.1575 -9.6452 -9.6452 -9.6451 -9.6451 -9.3950 -9.3950 -9.3949 -9.3949 -9.2690 -9.2690 -9.2689 -9.2689 -9.2599 -9.2599 -9.2597 -9.2597 -3.0066 -3.0066 -3.0011 -3.0011 -2.9608 -2.9608 -2.9560 -2.9560 -1.4056 -1.4056 -1.3956 -1.3956 -1.1640 -1.1640 -1.1495 -1.1495 -0.9445 -0.9445 -0.9019 -0.9019 -0.5295 -0.5295 -0.5259 -0.5259 -0.4182 -0.4182 -0.3940 -0.3940 -0.1658 -0.1658 -0.1589 -0.1589 -0.0089 -0.0089 0.0204 0.0204 0.3134 0.3134 0.3257 0.3257 0.6201 0.6201 0.6527 0.6527 0.7341 0.7341 0.8194 0.8194 1.0488 1.0488 1.0738 1.0738 1.2454 1.2454 1.2498 1.2498 1.3623 1.3623 1.3846 1.3846 1.5466 1.5466 1.5565 1.5565 1.7732 1.7732 1.7821 1.7821 1.9040 1.9040 2.0400 2.0400 5.0976 5.0976 5.1054 5.1054 5.6872 5.6872 5.6879 5.6879 6.0952 6.0952 6.0953 6.0953 6.6030 6.6030 6.6054 6.6054 6.7892 6.7892 6.8103 6.8103 k = 0.2115 0.3164 0.1650 ( 16888 PWs) bands (ev): -10.6735 -10.6735 -10.6734 -10.6734 -10.1612 -10.1612 -10.1611 -10.1611 -9.6392 -9.6392 -9.6391 -9.6391 -9.3951 -9.3951 -9.3951 -9.3951 -9.2722 -9.2722 -9.2721 -9.2721 -9.2647 -9.2647 -9.2644 -9.2644 -3.0085 -3.0085 -3.0030 -3.0030 -2.9611 -2.9611 -2.9564 -2.9564 -1.4182 -1.4182 -1.4062 -1.4062 -1.1747 -1.1747 -1.1594 -1.1594 -0.9656 -0.9656 -0.9235 -0.9235 -0.5309 -0.5309 -0.5271 -0.5271 -0.4134 -0.4134 -0.3918 -0.3918 -0.1559 -0.1559 -0.1413 -0.1413 -0.0136 -0.0136 0.0244 0.0244 0.3239 0.3239 0.3319 0.3319 0.6164 0.6164 0.6634 0.6634 0.7450 0.7450 0.8331 0.8331 1.0485 1.0485 1.0726 1.0726 1.2396 1.2396 1.2429 1.2429 1.3652 1.3652 1.3856 1.3856 1.5542 1.5542 1.5626 1.5626 1.7794 1.7794 1.7842 1.7842 1.9069 1.9069 2.0489 2.0489 5.1060 5.1060 5.1143 5.1143 5.6901 5.6901 5.6902 5.6902 6.1246 6.1246 6.1253 6.1253 6.6092 6.6092 6.6127 6.6127 6.8127 6.8127 6.8371 6.8371 k = 0.2308 0.3164 0.1650 ( 16888 PWs) bands (ev): -10.6683 -10.6683 -10.6682 -10.6682 -10.1651 -10.1651 -10.1650 -10.1650 -9.6327 -9.6327 -9.6326 -9.6326 -9.3954 -9.3954 -9.3953 -9.3953 -9.2765 -9.2765 -9.2763 -9.2763 -9.2689 -9.2689 -9.2686 -9.2686 -3.0102 -3.0102 -3.0048 -3.0048 -2.9615 -2.9615 -2.9569 -2.9569 -1.4307 -1.4307 -1.4168 -1.4168 -1.1852 -1.1852 -1.1692 -1.1692 -0.9867 -0.9867 -0.9457 -0.9457 -0.5363 -0.5363 -0.5253 -0.5253 -0.4087 -0.4087 -0.3912 -0.3912 -0.1478 -0.1478 -0.1259 -0.1259 -0.0166 -0.0166 0.0288 0.0288 0.3371 0.3371 0.3402 0.3402 0.6139 0.6139 0.6744 0.6744 0.7562 0.7562 0.8475 0.8475 1.0483 1.0483 1.0709 1.0709 1.2349 1.2349 1.2354 1.2354 1.3683 1.3683 1.3868 1.3868 1.5627 1.5627 1.5677 1.5677 1.7856 1.7856 1.7858 1.7858 1.9088 1.9088 2.0558 2.0558 5.1147 5.1147 5.1235 5.1235 5.6927 5.6927 5.6932 5.6932 6.1557 6.1557 6.1571 6.1571 6.6176 6.6176 6.6220 6.6220 6.8381 6.8381 6.8656 6.8656 k = 0.2500 0.3164 0.1650 ( 16880 PWs) bands (ev): -10.6629 -10.6629 -10.6628 -10.6628 -10.1691 -10.1691 -10.1691 -10.1691 -9.6258 -9.6258 -9.6257 -9.6257 -9.3958 -9.3958 -9.3957 -9.3957 -9.2817 -9.2817 -9.2816 -9.2816 -9.2724 -9.2724 -9.2721 -9.2721 -3.0119 -3.0119 -3.0067 -3.0067 -2.9619 -2.9619 -2.9575 -2.9575 -1.4429 -1.4429 -1.4271 -1.4271 -1.1953 -1.1953 -1.1785 -1.1785 -1.0078 -1.0078 -0.9681 -0.9681 -0.5419 -0.5419 -0.5239 -0.5239 -0.4043 -0.4043 -0.3922 -0.3922 -0.1418 -0.1418 -0.1143 -0.1143 -0.0166 -0.0166 0.0331 0.0331 0.3510 0.3510 0.3528 0.3528 0.6127 0.6127 0.6853 0.6853 0.7673 0.7673 0.8625 0.8625 1.0480 1.0480 1.0685 1.0685 1.2275 1.2275 1.2320 1.2320 1.3716 1.3716 1.3881 1.3881 1.5719 1.5719 1.5721 1.5721 1.7865 1.7865 1.7914 1.7914 1.9095 1.9095 2.0606 2.0606 5.1237 5.1237 5.1329 5.1329 5.6952 5.6952 5.6963 5.6963 6.1881 6.1881 6.1902 6.1902 6.6285 6.6285 6.6337 6.6337 6.8652 6.8652 6.8956 6.8956 k = 0.2692 0.3164 0.1650 ( 16882 PWs) bands (ev): -10.6573 -10.6573 -10.6573 -10.6573 -10.1733 -10.1733 -10.1732 -10.1732 -9.6187 -9.6187 -9.6185 -9.6185 -9.3963 -9.3963 -9.3962 -9.3962 -9.2875 -9.2875 -9.2874 -9.2874 -9.2753 -9.2753 -9.2751 -9.2751 -3.0133 -3.0133 -3.0084 -3.0084 -2.9623 -2.9623 -2.9582 -2.9582 -1.4547 -1.4547 -1.4370 -1.4370 -1.2048 -1.2048 -1.1873 -1.1873 -1.0286 -1.0286 -0.9905 -0.9905 -0.5473 -0.5473 -0.5228 -0.5228 -0.4005 -0.4005 -0.3948 -0.3948 -0.1378 -0.1378 -0.1080 -0.1080 -0.0123 -0.0123 0.0369 0.0369 0.3644 0.3644 0.3710 0.3710 0.6129 0.6129 0.6958 0.6958 0.7781 0.7781 0.8776 0.8776 1.0473 1.0473 1.0653 1.0653 1.2195 1.2195 1.2315 1.2315 1.3752 1.3752 1.3894 1.3894 1.5755 1.5755 1.5823 1.5823 1.7860 1.7860 1.7966 1.7966 1.9089 1.9089 2.0632 2.0632 5.1328 5.1328 5.1424 5.1424 5.6979 5.6979 5.6996 5.6996 6.2215 6.2215 6.2243 6.2243 6.6419 6.6419 6.6476 6.6476 6.8940 6.8940 6.9267 6.9267 k = 0.2885 0.3164 0.1650 ( 16894 PWs) bands (ev): -10.6518 -10.6518 -10.6517 -10.6517 -10.1775 -10.1775 -10.1775 -10.1775 -9.6112 -9.6112 -9.6111 -9.6111 -9.3971 -9.3971 -9.3969 -9.3969 -9.2937 -9.2937 -9.2936 -9.2936 -9.2780 -9.2780 -9.2777 -9.2777 -3.0147 -3.0147 -3.0100 -3.0100 -2.9628 -2.9628 -2.9590 -2.9590 -1.4660 -1.4660 -1.4466 -1.4466 -1.2136 -1.2136 -1.1954 -1.1954 -1.0489 -1.0489 -1.0126 -1.0126 -0.5523 -0.5523 -0.5219 -0.5219 -0.3987 -0.3987 -0.3972 -0.3972 -0.1357 -0.1357 -0.1072 -0.1072 -0.0039 -0.0039 0.0401 0.0401 0.3805 0.3805 0.3912 0.3912 0.6143 0.6143 0.7057 0.7057 0.7884 0.7884 0.8925 0.8925 1.0460 1.0460 1.0612 1.0612 1.2118 1.2118 1.2339 1.2339 1.3792 1.3792 1.3906 1.3906 1.5785 1.5785 1.5933 1.5933 1.7838 1.7838 1.8011 1.8011 1.9070 1.9070 2.0636 2.0636 5.1420 5.1420 5.1520 5.1520 5.7007 5.7007 5.7029 5.7029 6.2552 6.2552 6.2588 6.2588 6.6579 6.6579 6.6639 6.6639 6.9243 6.9243 6.9586 6.9586 k = 0.3077 0.3164 0.1650 ( 16896 PWs) bands (ev): -10.6463 -10.6463 -10.6462 -10.6462 -10.1818 -10.1818 -10.1817 -10.1817 -9.6036 -9.6036 -9.6035 -9.6035 -9.3981 -9.3981 -9.3979 -9.3979 -9.2999 -9.2999 -9.2998 -9.2998 -9.2805 -9.2805 -9.2803 -9.2803 -3.0158 -3.0158 -3.0115 -3.0115 -2.9633 -2.9633 -2.9599 -2.9599 -1.4767 -1.4767 -1.4556 -1.4556 -1.2215 -1.2215 -1.2026 -1.2026 -1.0684 -1.0684 -1.0342 -1.0342 -0.5567 -0.5567 -0.5210 -0.5210 -0.4039 -0.4039 -0.3947 -0.3947 -0.1353 -0.1353 -0.1103 -0.1103 0.0073 0.0073 0.0426 0.0426 0.3989 0.3989 0.4130 0.4130 0.6168 0.6168 0.7147 0.7147 0.7978 0.7978 0.9064 0.9064 1.0441 1.0441 1.0566 1.0566 1.2044 1.2044 1.2397 1.2397 1.3836 1.3836 1.3917 1.3917 1.5810 1.5810 1.6046 1.6046 1.7799 1.7799 1.8051 1.8051 1.9038 1.9038 2.0616 2.0616 5.1511 5.1511 5.1614 5.1614 5.7035 5.7035 5.7063 5.7063 6.2890 6.2890 6.2933 6.2933 6.6761 6.6761 6.6821 6.6821 6.9560 6.9560 6.9910 6.9910 k = 0.3269 0.3164 0.1650 ( 16900 PWs) bands (ev): -10.6409 -10.6409 -10.6408 -10.6408 -10.1859 -10.1859 -10.1859 -10.1859 -9.5959 -9.5959 -9.5958 -9.5958 -9.3993 -9.3993 -9.3992 -9.3992 -9.3060 -9.3060 -9.3059 -9.3059 -9.2828 -9.2828 -9.2826 -9.2826 -3.0168 -3.0168 -3.0128 -3.0128 -2.9638 -2.9638 -2.9607 -2.9607 -1.4866 -1.4866 -1.4639 -1.4639 -1.2286 -1.2286 -1.2088 -1.2088 -1.0871 -1.0871 -1.0551 -1.0551 -0.5604 -0.5604 -0.5199 -0.5199 -0.4100 -0.4100 -0.3930 -0.3930 -0.1366 -0.1366 -0.1157 -0.1157 0.0197 0.0197 0.0446 0.0446 0.4190 0.4190 0.4361 0.4361 0.6201 0.6201 0.7226 0.7226 0.8062 0.8062 0.9188 0.9188 1.0415 1.0415 1.0518 1.0518 1.1977 1.1977 1.2491 1.2491 1.3887 1.3887 1.3927 1.3927 1.5827 1.5827 1.6159 1.6159 1.7745 1.7745 1.8086 1.8086 1.8994 1.8994 2.0575 2.0575 5.1601 5.1601 5.1706 5.1706 5.7063 5.7063 5.7095 5.7095 6.3222 6.3222 6.3273 6.3273 6.6961 6.6961 6.7019 6.7019 6.9888 6.9888 7.0235 7.0235 k = 0.3462 0.3164 0.1650 ( 16900 PWs) bands (ev): -10.6357 -10.6357 -10.6357 -10.6357 -10.1900 -10.1900 -10.1899 -10.1899 -9.5882 -9.5882 -9.5881 -9.5881 -9.4009 -9.4009 -9.4007 -9.4007 -9.3117 -9.3117 -9.3116 -9.3116 -9.2850 -9.2850 -9.2848 -9.2848 -3.0177 -3.0177 -3.0140 -3.0140 -2.9643 -2.9643 -2.9616 -2.9616 -1.4956 -1.4956 -1.4716 -1.4716 -1.2346 -1.2346 -1.2140 -1.2140 -1.1048 -1.1048 -1.0750 -1.0750 -0.5632 -0.5632 -0.5185 -0.5185 -0.4169 -0.4169 -0.3922 -0.3922 -0.1392 -0.1392 -0.1222 -0.1222 0.0320 0.0320 0.0464 0.0464 0.4402 0.4402 0.4598 0.4598 0.6239 0.6239 0.7291 0.7291 0.8134 0.8134 0.9287 0.9287 1.0382 1.0382 1.0476 1.0476 1.1918 1.1918 1.2621 1.2621 1.3937 1.3937 1.3943 1.3943 1.5833 1.5833 1.6265 1.6265 1.7677 1.7677 1.8121 1.8121 1.8939 1.8939 2.0513 2.0513 5.1687 5.1687 5.1795 5.1795 5.7090 5.7090 5.7126 5.7126 6.3543 6.3543 6.3603 6.3603 6.7174 6.7174 6.7228 6.7228 7.0224 7.0224 7.0555 7.0555 k = 0.3654 0.3164 0.1650 ( 16908 PWs) bands (ev): -10.6309 -10.6309 -10.6308 -10.6308 -10.1938 -10.1938 -10.1937 -10.1937 -9.5807 -9.5807 -9.5805 -9.5805 -9.4029 -9.4029 -9.4026 -9.4026 -9.3171 -9.3171 -9.3169 -9.3169 -9.2869 -9.2869 -9.2868 -9.2868 -3.0184 -3.0184 -3.0151 -3.0151 -2.9648 -2.9648 -2.9624 -2.9624 -1.5038 -1.5038 -1.4786 -1.4786 -1.2396 -1.2396 -1.2179 -1.2179 -1.1213 -1.1213 -1.0938 -1.0938 -0.5651 -0.5651 -0.5169 -0.5169 -0.4243 -0.4243 -0.3920 -0.3920 -0.1427 -0.1427 -0.1289 -0.1289 0.0435 0.0435 0.0480 0.0480 0.4618 0.4618 0.4836 0.4836 0.6280 0.6280 0.7342 0.7342 0.8194 0.8194 0.9356 0.9356 1.0343 1.0343 1.0444 1.0444 1.1869 1.1869 1.2785 1.2785 1.3948 1.3948 1.4006 1.4006 1.5822 1.5822 1.6359 1.6359 1.7602 1.7602 1.8161 1.8161 1.8875 1.8875 2.0432 2.0432 5.1769 5.1769 5.1879 5.1879 5.7115 5.7115 5.7154 5.7154 6.3848 6.3848 6.3916 6.3916 6.7393 6.7393 6.7440 6.7440 7.0560 7.0560 7.0866 7.0866 k = 0.3846 0.3164 0.1650 ( 16910 PWs) bands (ev): -10.6265 -10.6265 -10.6264 -10.6264 -10.1973 -10.1973 -10.1972 -10.1972 -9.5735 -9.5735 -9.5733 -9.5733 -9.4051 -9.4051 -9.4048 -9.4048 -9.3219 -9.3219 -9.3217 -9.3217 -9.2887 -9.2887 -9.2885 -9.2885 -3.0190 -3.0190 -3.0160 -3.0160 -2.9652 -2.9652 -2.9632 -2.9632 -1.5110 -1.5110 -1.4847 -1.4847 -1.2436 -1.2436 -1.2206 -1.2206 -1.1364 -1.1364 -1.1114 -1.1114 -0.5662 -0.5662 -0.5151 -0.5151 -0.4318 -0.4318 -0.3925 -0.3925 -0.1469 -0.1469 -0.1354 -0.1354 0.0495 0.0495 0.0538 0.0538 0.4829 0.4829 0.5070 0.5070 0.6320 0.6320 0.7377 0.7377 0.8240 0.8240 0.9392 0.9392 1.0301 1.0301 1.0428 1.0428 1.1830 1.1830 1.2976 1.2976 1.3963 1.3963 1.4072 1.4072 1.5786 1.5786 1.6435 1.6435 1.7530 1.7530 1.8211 1.8211 1.8804 1.8804 2.0336 2.0336 5.1845 5.1845 5.1956 5.1956 5.7138 5.7138 5.7180 5.7180 6.4132 6.4132 6.4207 6.4207 6.7610 6.7610 6.7648 6.7648 7.0892 7.0892 7.1160 7.1160 k = 0.4038 0.3164 0.1650 ( 16914 PWs) bands (ev): -10.6225 -10.6225 -10.6225 -10.6225 -10.2004 -10.2004 -10.2004 -10.2004 -9.5668 -9.5668 -9.5666 -9.5666 -9.4075 -9.4075 -9.4072 -9.4072 -9.3260 -9.3260 -9.3258 -9.3258 -9.2903 -9.2903 -9.2901 -9.2901 -3.0194 -3.0194 -3.0167 -3.0167 -2.9656 -2.9656 -2.9640 -2.9640 -1.5172 -1.5172 -1.4900 -1.4900 -1.2464 -1.2464 -1.2221 -1.2221 -1.1500 -1.1500 -1.1274 -1.1274 -0.5664 -0.5664 -0.5131 -0.5131 -0.4392 -0.4392 -0.3935 -0.3935 -0.1512 -0.1512 -0.1412 -0.1412 0.0509 0.0509 0.0628 0.0628 0.5029 0.5029 0.5293 0.5293 0.6355 0.6355 0.7395 0.7395 0.8273 0.8273 0.9400 0.9400 1.0256 1.0256 1.0427 1.0427 1.1801 1.1801 1.3183 1.3183 1.3988 1.3988 1.4140 1.4140 1.5716 1.5716 1.6489 1.6489 1.7468 1.7468 1.8276 1.8276 1.8729 1.8729 2.0227 2.0227 5.1912 5.1912 5.2025 5.2025 5.7159 5.7159 5.7202 5.7202 6.4387 6.4387 6.4468 6.4468 6.7816 6.7816 6.7844 6.7844 7.1209 7.1209 7.1429 7.1429 k = 0.4231 0.3164 0.1650 ( 16924 PWs) bands (ev): -10.6191 -10.6191 -10.6191 -10.6191 -10.2031 -10.2031 -10.2031 -10.2031 -9.5607 -9.5607 -9.5605 -9.5605 -9.4100 -9.4100 -9.4097 -9.4097 -9.3294 -9.3294 -9.3291 -9.3291 -9.2916 -9.2916 -9.2914 -9.2914 -3.0197 -3.0197 -3.0174 -3.0174 -2.9660 -2.9660 -2.9646 -2.9646 -1.5223 -1.5223 -1.4944 -1.4944 -1.2483 -1.2483 -1.2223 -1.2223 -1.1617 -1.1617 -1.1417 -1.1417 -0.5661 -0.5661 -0.5111 -0.5111 -0.4461 -0.4461 -0.3948 -0.3948 -0.1553 -0.1553 -0.1463 -0.1463 0.0522 0.0522 0.0702 0.0702 0.5210 0.5210 0.5497 0.5497 0.6384 0.6384 0.7399 0.7399 0.8296 0.8296 0.9389 0.9389 1.0212 1.0212 1.0436 1.0436 1.1782 1.1782 1.3388 1.3388 1.4036 1.4036 1.4207 1.4207 1.5605 1.5605 1.6520 1.6520 1.7425 1.7425 1.8354 1.8354 1.8654 1.8654 2.0112 2.0112 5.1971 5.1971 5.2085 5.2085 5.7176 5.7176 5.7221 5.7221 6.4607 6.4607 6.4695 6.4695 6.8001 6.8001 6.8019 6.8019 7.1501 7.1501 7.1665 7.1665 k = 0.4423 0.3164 0.1650 ( 16920 PWs) bands (ev): -10.6164 -10.6164 -10.6164 -10.6164 -10.2053 -10.2053 -10.2052 -10.2052 -9.5556 -9.5556 -9.5554 -9.5554 -9.4123 -9.4123 -9.4120 -9.4120 -9.3320 -9.3320 -9.3317 -9.3317 -9.2926 -9.2926 -9.2924 -9.2924 -3.0200 -3.0200 -3.0178 -3.0178 -2.9662 -2.9662 -2.9651 -2.9651 -1.5263 -1.5263 -1.4978 -1.4978 -1.2494 -1.2494 -1.2215 -1.2215 -1.1714 -1.1714 -1.1540 -1.1540 -0.5654 -0.5654 -0.5092 -0.5092 -0.4521 -0.4521 -0.3961 -0.3961 -0.1589 -0.1589 -0.1503 -0.1503 0.0534 0.0534 0.0760 0.0760 0.5364 0.5364 0.5675 0.5675 0.6405 0.6405 0.7389 0.7389 0.8309 0.8309 0.9368 0.9368 1.0174 1.0174 1.0449 1.0449 1.1770 1.1770 1.3557 1.3557 1.4133 1.4133 1.4267 1.4267 1.5452 1.5452 1.6532 1.6532 1.7401 1.7401 1.8440 1.8440 1.8585 1.8585 1.9999 1.9999 5.2018 5.2018 5.2133 5.2133 5.7189 5.7189 5.7235 5.7235 6.4786 6.4786 6.4878 6.4878 6.8158 6.8158 6.8165 6.8165 7.1756 7.1756 7.1858 7.1858 k = 0.4615 0.3164 0.1650 ( 16920 PWs) bands (ev): -10.6145 -10.6145 -10.6144 -10.6144 -10.2069 -10.2069 -10.2068 -10.2068 -9.5517 -9.5517 -9.5515 -9.5515 -9.4142 -9.4142 -9.4139 -9.4139 -9.3338 -9.3338 -9.3336 -9.3336 -9.2934 -9.2934 -9.2932 -9.2932 -3.0201 -3.0201 -3.0182 -3.0182 -2.9664 -2.9664 -2.9655 -2.9655 -1.5292 -1.5292 -1.5003 -1.5003 -1.2498 -1.2498 -1.2200 -1.2200 -1.1788 -1.1788 -1.1639 -1.1639 -0.5646 -0.5646 -0.5077 -0.5077 -0.4568 -0.4568 -0.3972 -0.3972 -0.1617 -0.1617 -0.1533 -0.1533 0.0542 0.0542 0.0801 0.0801 0.5483 0.5483 0.5814 0.5814 0.6417 0.6417 0.7372 0.7372 0.8317 0.8317 0.9347 0.9347 1.0143 1.0143 1.0461 1.0461 1.1763 1.1763 1.3661 1.3661 1.4299 1.4299 1.4315 1.4315 1.5263 1.5263 1.6533 1.6533 1.7393 1.7393 1.8523 1.8523 1.8529 1.8529 1.9898 1.9898 5.2053 5.2053 5.2168 5.2168 5.7199 5.7199 5.7246 5.7246 6.4919 6.4919 6.5014 6.5014 6.8276 6.8276 6.8277 6.8277 7.1956 7.1956 7.2003 7.2003 k = 0.4808 0.3164 0.1650 ( 16922 PWs) bands (ev): -10.6133 -10.6133 -10.6132 -10.6132 -10.2079 -10.2079 -10.2078 -10.2078 -9.5493 -9.5493 -9.5491 -9.5491 -9.4155 -9.4155 -9.4152 -9.4152 -9.3349 -9.3349 -9.3347 -9.3347 -9.2938 -9.2938 -9.2937 -9.2937 -3.0202 -3.0202 -3.0184 -3.0184 -2.9666 -2.9666 -2.9657 -2.9657 -1.5309 -1.5309 -1.5018 -1.5018 -1.2499 -1.2499 -1.2184 -1.2184 -1.1834 -1.1834 -1.1704 -1.1704 -0.5639 -0.5639 -0.5067 -0.5067 -0.4597 -0.4597 -0.3980 -0.3980 -0.1634 -0.1634 -0.1551 -0.1551 0.0548 0.0548 0.0826 0.0826 0.5559 0.5559 0.5905 0.5905 0.6422 0.6422 0.7357 0.7357 0.8320 0.8320 0.9332 0.9332 1.0123 1.0123 1.0470 1.0470 1.1760 1.1760 1.3709 1.3709 1.4346 1.4346 1.4511 1.4511 1.5051 1.5051 1.6530 1.6530 1.7394 1.7394 1.8491 1.8491 1.8586 1.8586 1.9826 1.9826 5.2074 5.2074 5.2190 5.2190 5.7205 5.7205 5.7252 5.7252 6.5000 6.5000 6.5098 6.5098 6.8344 6.8344 6.8351 6.8351 7.2087 7.2087 7.2092 7.2092 k = 0.5000 0.3164 0.1650 ( 16928 PWs) bands (ev): -10.6128 -10.6128 -10.6128 -10.6128 -10.2082 -10.2082 -10.2081 -10.2081 -9.5485 -9.5485 -9.5483 -9.5483 -9.4159 -9.4159 -9.4156 -9.4156 -9.3353 -9.3353 -9.3350 -9.3350 -9.2940 -9.2940 -9.2938 -9.2938 -3.0203 -3.0203 -3.0184 -3.0184 -2.9666 -2.9666 -2.9658 -2.9658 -1.5315 -1.5315 -1.5023 -1.5023 -1.2499 -1.2499 -1.2177 -1.2177 -1.1850 -1.1850 -1.1728 -1.1728 -0.5637 -0.5637 -0.5063 -0.5063 -0.4608 -0.4608 -0.3983 -0.3983 -0.1640 -0.1640 -0.1557 -0.1557 0.0549 0.0549 0.0835 0.0835 0.5586 0.5586 0.5937 0.5937 0.6424 0.6424 0.7350 0.7350 0.8321 0.8321 0.9327 0.9327 1.0116 1.0116 1.0473 1.0473 1.1759 1.1759 1.3722 1.3722 1.4357 1.4357 1.4666 1.4666 1.4900 1.4900 1.6528 1.6528 1.7395 1.7395 1.8477 1.8477 1.8609 1.8609 1.9800 1.9800 5.2081 5.2081 5.2197 5.2197 5.7207 5.7207 5.7254 5.7254 6.5027 6.5027 6.5126 6.5126 6.8368 6.8368 6.8377 6.8377 7.2122 7.2122 7.2132 7.2132 k = 0.5000 0.3164 0.1650 ( 16928 PWs) bands (ev): -10.6128 -10.6128 -10.6128 -10.6128 -10.2082 -10.2082 -10.2081 -10.2081 -9.5485 -9.5485 -9.5483 -9.5483 -9.4159 -9.4159 -9.4156 -9.4156 -9.3353 -9.3353 -9.3350 -9.3350 -9.2940 -9.2940 -9.2938 -9.2938 -3.0203 -3.0203 -3.0184 -3.0184 -2.9666 -2.9666 -2.9658 -2.9658 -1.5315 -1.5315 -1.5023 -1.5023 -1.2499 -1.2499 -1.2177 -1.2177 -1.1850 -1.1850 -1.1728 -1.1728 -0.5637 -0.5637 -0.5063 -0.5063 -0.4608 -0.4608 -0.3983 -0.3983 -0.1640 -0.1640 -0.1557 -0.1557 0.0549 0.0549 0.0835 0.0835 0.5586 0.5586 0.5937 0.5937 0.6424 0.6424 0.7350 0.7350 0.8321 0.8321 0.9327 0.9327 1.0116 1.0116 1.0473 1.0473 1.1759 1.1759 1.3722 1.3722 1.4357 1.4357 1.4666 1.4666 1.4900 1.4900 1.6528 1.6528 1.7395 1.7395 1.8477 1.8477 1.8609 1.8609 1.9800 1.9800 5.2081 5.2081 5.2197 5.2197 5.7207 5.7207 5.7254 5.7254 6.5027 6.5027 6.5126 6.5126 6.8368 6.8368 6.8377 6.8377 7.2122 7.2122 7.2132 7.2132 k = 0.5000 0.3241 0.1503 ( 16918 PWs) bands (ev): -10.6128 -10.6128 -10.6128 -10.6128 -10.2082 -10.2082 -10.2081 -10.2081 -9.5484 -9.5484 -9.5482 -9.5482 -9.4160 -9.4160 -9.4157 -9.4157 -9.3354 -9.3354 -9.3351 -9.3351 -9.2939 -9.2939 -9.2937 -9.2937 -3.0205 -3.0205 -3.0187 -3.0187 -2.9666 -2.9666 -2.9658 -2.9658 -1.5311 -1.5311 -1.5024 -1.5024 -1.2514 -1.2514 -1.2217 -1.2217 -1.1806 -1.1806 -1.1704 -1.1704 -0.5647 -0.5647 -0.5092 -0.5092 -0.4577 -0.4577 -0.3969 -0.3969 -0.1635 -0.1635 -0.1552 -0.1552 0.0548 0.0548 0.0832 0.0832 0.5587 0.5587 0.5927 0.5927 0.6432 0.6432 0.7351 0.7351 0.8316 0.8316 0.9307 0.9307 1.0130 1.0130 1.0462 1.0462 1.1771 1.1771 1.3691 1.3691 1.4369 1.4369 1.4655 1.4655 1.4910 1.4910 1.6524 1.6524 1.7392 1.7392 1.8419 1.8419 1.8668 1.8668 1.9799 1.9799 5.2089 5.2089 5.2204 5.2204 5.7216 5.7216 5.7263 5.7263 6.5032 6.5032 6.5129 6.5129 6.8373 6.8373 6.8382 6.8382 7.2128 7.2128 7.2139 7.2139 k = 0.5000 0.3318 0.1356 ( 16920 PWs) bands (ev): -10.6129 -10.6129 -10.6128 -10.6128 -10.2082 -10.2082 -10.2081 -10.2081 -9.5484 -9.5484 -9.5482 -9.5482 -9.4161 -9.4161 -9.4158 -9.4158 -9.3356 -9.3356 -9.3354 -9.3354 -9.2936 -9.2936 -9.2934 -9.2934 -3.0211 -3.0211 -3.0194 -3.0194 -2.9666 -2.9666 -2.9659 -2.9659 -1.5301 -1.5301 -1.5026 -1.5026 -1.2557 -1.2557 -1.2303 -1.2303 -1.1710 -1.1710 -1.1639 -1.1639 -0.5675 -0.5675 -0.5159 -0.5159 -0.4505 -0.4505 -0.3931 -0.3931 -0.1620 -0.1620 -0.1537 -0.1537 0.0545 0.0545 0.0825 0.0825 0.5590 0.5590 0.5898 0.5898 0.6457 0.6457 0.7352 0.7352 0.8301 0.8301 0.9250 0.9250 1.0165 1.0165 1.0432 1.0432 1.1805 1.1805 1.3607 1.3607 1.4396 1.4396 1.4625 1.4625 1.4940 1.4940 1.6511 1.6511 1.7386 1.7386 1.8325 1.8325 1.8762 1.8762 1.9798 1.9798 5.2112 5.2112 5.2223 5.2223 5.7241 5.7241 5.7286 5.7286 6.5045 6.5045 6.5139 6.5139 6.8387 6.8387 6.8397 6.8397 7.2145 7.2145 7.2159 7.2159 k = 0.5000 0.3394 0.1209 ( 16918 PWs) bands (ev): -10.6129 -10.6129 -10.6128 -10.6128 -10.2082 -10.2082 -10.2081 -10.2081 -9.5483 -9.5483 -9.5481 -9.5481 -9.4162 -9.4162 -9.4160 -9.4160 -9.3360 -9.3360 -9.3358 -9.3358 -9.2931 -9.2931 -9.2929 -9.2929 -3.0222 -3.0222 -3.0205 -3.0205 -2.9667 -2.9667 -2.9660 -2.9660 -1.5283 -1.5283 -1.5029 -1.5029 -1.2614 -1.2614 -1.2401 -1.2401 -1.1597 -1.1597 -1.1544 -1.1544 -0.5716 -0.5716 -0.5239 -0.5239 -0.4416 -0.4416 -0.3874 -0.3874 -0.1595 -0.1595 -0.1513 -0.1513 0.0540 0.0540 0.0814 0.0814 0.5595 0.5595 0.5853 0.5853 0.6496 0.6496 0.7351 0.7351 0.8280 0.8280 0.9167 0.9167 1.0215 1.0215 1.0388 1.0388 1.1856 1.1856 1.3489 1.3489 1.4422 1.4422 1.4575 1.4575 1.4991 1.4991 1.6488 1.6488 1.7376 1.7376 1.8232 1.8232 1.8858 1.8858 1.9796 1.9796 5.2149 5.2149 5.2255 5.2255 5.7283 5.7283 5.7325 5.7325 6.5067 6.5067 6.5156 6.5156 6.8411 6.8411 6.8422 6.8422 7.2173 7.2173 7.2191 7.2191 k = 0.5000 0.3471 0.1061 ( 16920 PWs) bands (ev): -10.6129 -10.6129 -10.6128 -10.6128 -10.2081 -10.2081 -10.2081 -10.2081 -9.5481 -9.5481 -9.5480 -9.5480 -9.4165 -9.4165 -9.4162 -9.4162 -9.3365 -9.3365 -9.3363 -9.3363 -9.2924 -9.2924 -9.2922 -9.2922 -3.0236 -3.0236 -3.0221 -3.0221 -2.9667 -2.9667 -2.9661 -2.9661 -1.5260 -1.5260 -1.5033 -1.5033 -1.2678 -1.2678 -1.2499 -1.2499 -1.1477 -1.1477 -1.1431 -1.1431 -0.5762 -0.5762 -0.5319 -0.5319 -0.4326 -0.4326 -0.3808 -0.3808 -0.1560 -0.1560 -0.1481 -0.1481 0.0535 0.0535 0.0800 0.0800 0.5603 0.5603 0.5793 0.5793 0.6545 0.6545 0.7343 0.7343 0.8255 0.8255 0.9066 0.9066 1.0271 1.0271 1.0339 1.0339 1.1917 1.1917 1.3350 1.3350 1.4438 1.4438 1.4508 1.4508 1.5057 1.5057 1.6455 1.6455 1.7363 1.7363 1.8147 1.8147 1.8950 1.8950 1.9794 1.9794 5.2197 5.2197 5.2297 5.2297 5.7339 5.7339 5.7376 5.7376 6.5095 6.5095 6.5178 6.5178 6.8443 6.8443 6.8455 6.8455 7.2209 7.2209 7.2233 7.2233 k = 0.5000 0.3548 0.0914 ( 16914 PWs) bands (ev): -10.6129 -10.6129 -10.6129 -10.6129 -10.2081 -10.2081 -10.2081 -10.2081 -9.5479 -9.5479 -9.5478 -9.5478 -9.4168 -9.4168 -9.4165 -9.4165 -9.3371 -9.3371 -9.3369 -9.3369 -9.2916 -9.2916 -9.2915 -9.2915 -3.0253 -3.0253 -3.0239 -3.0239 -2.9668 -2.9668 -2.9663 -2.9663 -1.5232 -1.5232 -1.5039 -1.5039 -1.2743 -1.2743 -1.2593 -1.2593 -1.1357 -1.1357 -1.1307 -1.1307 -0.5805 -0.5805 -0.5389 -0.5389 -0.4243 -0.4243 -0.3739 -0.3739 -0.1516 -0.1516 -0.1442 -0.1442 0.0528 0.0528 0.0786 0.0786 0.5612 0.5612 0.5722 0.5722 0.6604 0.6604 0.7323 0.7323 0.8232 0.8232 0.8953 0.8953 1.0293 1.0293 1.0329 1.0329 1.1981 1.1981 1.3200 1.3200 1.4426 1.4426 1.4442 1.4442 1.5133 1.5133 1.6411 1.6411 1.7349 1.7349 1.8073 1.8073 1.9037 1.9037 1.9791 1.9791 5.2255 5.2255 5.2345 5.2345 5.7407 5.7407 5.7438 5.7438 6.5130 6.5130 6.5204 6.5204 6.8481 6.8481 6.8494 6.8494 7.2251 7.2251 7.2282 7.2282 k = 0.5000 0.3625 0.0767 ( 16912 PWs) bands (ev): -10.6130 -10.6130 -10.6129 -10.6129 -10.2081 -10.2081 -10.2080 -10.2080 -9.5476 -9.5476 -9.5475 -9.5475 -9.4171 -9.4171 -9.4169 -9.4169 -9.3378 -9.3378 -9.3376 -9.3376 -9.2908 -9.2908 -9.2907 -9.2907 -3.0273 -3.0273 -3.0260 -3.0260 -2.9670 -2.9670 -2.9666 -2.9666 -1.5199 -1.5199 -1.5045 -1.5045 -1.2805 -1.2805 -1.2681 -1.2681 -1.1240 -1.1240 -1.1178 -1.1178 -0.5839 -0.5839 -0.5447 -0.5447 -0.4172 -0.4172 -0.3676 -0.3676 -0.1463 -0.1463 -0.1399 -0.1399 0.0521 0.0521 0.0773 0.0773 0.5623 0.5623 0.5641 0.5641 0.6668 0.6668 0.7284 0.7284 0.8216 0.8216 0.8834 0.8834 1.0257 1.0257 1.0385 1.0385 1.2042 1.2042 1.3043 1.3043 1.4334 1.4334 1.4437 1.4437 1.5214 1.5214 1.6354 1.6354 1.7336 1.7336 1.8012 1.8012 1.9119 1.9119 1.9787 1.9787 5.2318 5.2318 5.2399 5.2399 5.7484 5.7484 5.7508 5.7508 6.5170 6.5170 6.5235 6.5235 6.8525 6.8525 6.8538 6.8538 7.2297 7.2297 7.2336 7.2336 k = 0.5000 0.3702 0.0619 ( 16908 PWs) bands (ev): -10.6130 -10.6130 -10.6130 -10.6130 -10.2081 -10.2081 -10.2080 -10.2080 -9.5473 -9.5473 -9.5471 -9.5471 -9.4176 -9.4176 -9.4173 -9.4173 -9.3386 -9.3386 -9.3383 -9.3383 -9.2899 -9.2899 -9.2898 -9.2898 -3.0293 -3.0293 -3.0282 -3.0282 -2.9672 -2.9672 -2.9669 -2.9669 -1.5164 -1.5164 -1.5052 -1.5052 -1.2863 -1.2863 -1.2762 -1.2762 -1.1127 -1.1127 -1.1050 -1.1050 -0.5860 -0.5860 -0.5491 -0.5491 -0.4114 -0.4114 -0.3623 -0.3623 -0.1404 -0.1404 -0.1354 -0.1354 0.0513 0.0513 0.0762 0.0762 0.5553 0.5553 0.5634 0.5634 0.6736 0.6736 0.7225 0.7225 0.8209 0.8209 0.8713 0.8713 1.0237 1.0237 1.0439 1.0439 1.2097 1.2097 1.2887 1.2887 1.4234 1.4234 1.4425 1.4425 1.5295 1.5295 1.6287 1.6287 1.7324 1.7324 1.7965 1.7965 1.9196 1.9196 1.9784 1.9784 5.2385 5.2385 5.2453 5.2453 5.7567 5.7567 5.7582 5.7582 6.5213 6.5213 6.5267 6.5267 6.8572 6.8572 6.8584 6.8584 7.2343 7.2343 7.2390 7.2390 k = 0.5000 0.3702 0.0619 ( 16908 PWs) bands (ev): -10.6130 -10.6130 -10.6130 -10.6130 -10.2081 -10.2081 -10.2080 -10.2080 -9.5473 -9.5473 -9.5471 -9.5471 -9.4176 -9.4176 -9.4173 -9.4173 -9.3386 -9.3386 -9.3383 -9.3383 -9.2899 -9.2899 -9.2898 -9.2898 -3.0293 -3.0293 -3.0282 -3.0282 -2.9672 -2.9672 -2.9669 -2.9669 -1.5164 -1.5164 -1.5052 -1.5052 -1.2863 -1.2863 -1.2762 -1.2762 -1.1127 -1.1127 -1.1050 -1.1050 -0.5860 -0.5860 -0.5491 -0.5491 -0.4114 -0.4114 -0.3623 -0.3623 -0.1404 -0.1404 -0.1354 -0.1354 0.0513 0.0513 0.0762 0.0762 0.5553 0.5553 0.5634 0.5634 0.6736 0.6736 0.7225 0.7225 0.8209 0.8209 0.8713 0.8713 1.0237 1.0237 1.0439 1.0439 1.2097 1.2097 1.2887 1.2887 1.4234 1.4234 1.4425 1.4425 1.5295 1.5295 1.6287 1.6287 1.7324 1.7324 1.7965 1.7965 1.9196 1.9196 1.9784 1.9784 5.2385 5.2385 5.2453 5.2453 5.7567 5.7567 5.7582 5.7582 6.5213 6.5213 6.5267 6.5267 6.8572 6.8572 6.8584 6.8584 7.2343 7.2343 7.2390 7.2390 k = 0.5000 0.3642 0.0436 ( 16902 PWs) bands (ev): -10.6130 -10.6130 -10.6129 -10.6129 -10.2080 -10.2080 -10.2079 -10.2079 -9.5482 -9.5482 -9.5481 -9.5481 -9.4169 -9.4169 -9.4167 -9.4167 -9.3396 -9.3396 -9.3394 -9.3394 -9.2887 -9.2887 -9.2886 -9.2886 -3.0303 -3.0303 -3.0293 -3.0293 -2.9676 -2.9676 -2.9673 -2.9673 -1.5147 -1.5147 -1.5049 -1.5049 -1.2933 -1.2933 -1.2834 -1.2834 -1.0976 -1.0976 -1.0879 -1.0879 -0.5897 -0.5897 -0.5521 -0.5521 -0.4090 -0.4090 -0.3621 -0.3621 -0.1384 -0.1384 -0.1348 -0.1348 0.0484 0.0484 0.0701 0.0701 0.5482 0.5482 0.5646 0.5646 0.6815 0.6815 0.7212 0.7212 0.8134 0.8134 0.8582 0.8582 1.0189 1.0189 1.0474 1.0474 1.2187 1.2187 1.2791 1.2791 1.4191 1.4191 1.4378 1.4378 1.5368 1.5368 1.6219 1.6219 1.7363 1.7363 1.7930 1.7930 1.9328 1.9328 1.9827 1.9827 5.2434 5.2434 5.2499 5.2499 5.7592 5.7592 5.7606 5.7606 6.5252 6.5252 6.5301 6.5301 6.8592 6.8592 6.8606 6.8606 7.2401 7.2401 7.2468 7.2468 k = 0.5000 0.3582 0.0253 ( 16916 PWs) bands (ev): -10.6130 -10.6130 -10.6129 -10.6129 -10.2079 -10.2079 -10.2078 -10.2078 -9.5490 -9.5490 -9.5489 -9.5489 -9.4162 -9.4162 -9.4160 -9.4160 -9.3408 -9.3408 -9.3406 -9.3406 -9.2875 -9.2875 -9.2874 -9.2874 -3.0314 -3.0314 -3.0304 -3.0304 -2.9679 -2.9679 -2.9677 -2.9677 -1.5131 -1.5131 -1.5046 -1.5046 -1.2995 -1.2995 -1.2902 -1.2902 -1.0822 -1.0822 -1.0712 -1.0712 -0.5924 -0.5924 -0.5548 -0.5548 -0.4072 -0.4072 -0.3632 -0.3632 -0.1365 -0.1365 -0.1338 -0.1338 0.0460 0.0460 0.0637 0.0637 0.5407 0.5407 0.5643 0.5643 0.6901 0.6901 0.7196 0.7196 0.8059 0.8059 0.8444 0.8444 1.0156 1.0156 1.0496 1.0496 1.2258 1.2258 1.2704 1.2704 1.4160 1.4160 1.4325 1.4325 1.5437 1.5437 1.6140 1.6140 1.7418 1.7418 1.7914 1.7914 1.9458 1.9458 1.9875 1.9875 5.2476 5.2476 5.2536 5.2536 5.7619 5.7619 5.7631 5.7631 6.5288 6.5288 6.5332 6.5332 6.8611 6.8611 6.8627 6.8627 7.2455 7.2455 7.2537 7.2537 k = 0.5000 0.3522 0.0069 ( 16896 PWs) bands (ev): -10.6129 -10.6129 -10.6129 -10.6129 -10.2078 -10.2078 -10.2078 -10.2078 -9.5498 -9.5498 -9.5497 -9.5497 -9.4154 -9.4154 -9.4153 -9.4153 -9.3420 -9.3420 -9.3418 -9.3418 -9.2863 -9.2863 -9.2862 -9.2862 -3.0324 -3.0324 -3.0316 -3.0316 -2.9682 -2.9682 -2.9680 -2.9680 -1.5115 -1.5115 -1.5044 -1.5044 -1.3048 -1.3048 -1.2965 -1.2965 -1.0670 -1.0670 -1.0554 -1.0554 -0.5939 -0.5939 -0.5572 -0.5572 -0.4059 -0.4059 -0.3657 -0.3657 -0.1345 -0.1345 -0.1325 -0.1325 0.0441 0.0441 0.0577 0.0577 0.5335 0.5335 0.5620 0.5620 0.6984 0.6984 0.7183 0.7183 0.7989 0.7989 0.8307 0.8307 1.0140 1.0140 1.0502 1.0502 1.2312 1.2312 1.2628 1.2628 1.4141 1.4141 1.4274 1.4274 1.5495 1.5495 1.6056 1.6056 1.7485 1.7485 1.7911 1.7911 1.9581 1.9581 1.9922 1.9922 5.2509 5.2509 5.2563 5.2563 5.7645 5.7645 5.7657 5.7657 6.5321 6.5321 6.5360 6.5360 6.8629 6.8629 6.8645 6.8645 7.2506 7.2506 7.2595 7.2595 k = 0.5000 0.3463-0.0114 ( 16892 PWs) bands (ev): -10.6129 -10.6129 -10.6129 -10.6129 -10.2077 -10.2077 -10.2077 -10.2077 -9.5504 -9.5504 -9.5503 -9.5503 -9.4147 -9.4147 -9.4146 -9.4146 -9.3431 -9.3431 -9.3430 -9.3430 -9.2852 -9.2852 -9.2851 -9.2851 -3.0334 -3.0334 -3.0327 -3.0327 -2.9685 -2.9685 -2.9683 -2.9683 -1.5101 -1.5101 -1.5043 -1.5043 -1.3092 -1.3092 -1.3021 -1.3021 -1.0525 -1.0525 -1.0411 -1.0411 -0.5942 -0.5942 -0.5598 -0.5598 -0.4052 -0.4052 -0.3694 -0.3694 -0.1326 -0.1326 -0.1309 -0.1309 0.0430 0.0430 0.0524 0.0524 0.5271 0.5271 0.5576 0.5576 0.7059 0.7059 0.7174 0.7174 0.7927 0.7927 0.8179 0.8179 1.0139 1.0139 1.0492 1.0492 1.2351 1.2351 1.2566 1.2566 1.4131 1.4131 1.4229 1.4229 1.5542 1.5542 1.5974 1.5974 1.7559 1.7559 1.7915 1.7915 1.9695 1.9695 1.9967 1.9967 5.2534 5.2534 5.2582 5.2582 5.7671 5.7671 5.7681 5.7681 6.5351 6.5351 6.5384 6.5384 6.8644 6.8644 6.8660 6.8660 7.2553 7.2553 7.2643 7.2643 k = 0.5000 0.3403-0.0298 ( 16900 PWs) bands (ev): -10.6129 -10.6129 -10.6128 -10.6128 -10.2076 -10.2076 -10.2076 -10.2076 -9.5510 -9.5510 -9.5509 -9.5509 -9.4141 -9.4141 -9.4140 -9.4140 -9.3442 -9.3442 -9.3441 -9.3441 -9.2843 -9.2843 -9.2842 -9.2842 -3.0344 -3.0344 -3.0338 -3.0338 -2.9687 -2.9687 -2.9686 -2.9686 -1.5089 -1.5089 -1.5044 -1.5044 -1.3126 -1.3126 -1.3069 -1.3069 -1.0392 -1.0392 -1.0288 -1.0288 -0.5933 -0.5933 -0.5626 -0.5626 -0.4046 -0.4046 -0.3743 -0.3743 -0.1307 -0.1307 -0.1291 -0.1291 0.0425 0.0425 0.0483 0.0483 0.5222 0.5222 0.5514 0.5514 0.7120 0.7120 0.7171 0.7171 0.7877 0.7877 0.8065 0.8065 1.0151 1.0151 1.0468 1.0468 1.2378 1.2378 1.2517 1.2517 1.4125 1.4125 1.4192 1.4192 1.5579 1.5579 1.5897 1.5897 1.7634 1.7634 1.7920 1.7920 1.9796 1.9796 2.0006 2.0006 5.2553 5.2553 5.2593 5.2593 5.7695 5.7695 5.7703 5.7703 6.5378 6.5378 6.5404 6.5404 6.8658 6.8658 6.8672 6.8672 7.2596 7.2596 7.2678 7.2678 k = 0.5000 0.3343-0.0481 ( 16908 PWs) bands (ev): -10.6129 -10.6129 -10.6128 -10.6128 -10.2076 -10.2076 -10.2075 -10.2075 -9.5514 -9.5514 -9.5514 -9.5514 -9.4136 -9.4136 -9.4135 -9.4135 -9.3451 -9.3451 -9.3450 -9.3450 -9.2835 -9.2835 -9.2835 -9.2835 -3.0351 -3.0351 -3.0347 -3.0347 -2.9688 -2.9688 -2.9688 -2.9688 -1.5078 -1.5078 -1.5045 -1.5045 -1.3151 -1.3151 -1.3108 -1.3108 -1.0278 -1.0278 -1.0191 -1.0191 -0.5912 -0.5912 -0.5661 -0.5661 -0.4037 -0.4037 -0.3798 -0.3798 -0.1290 -0.1290 -0.1276 -0.1276 0.0424 0.0424 0.0455 0.0455 0.5191 0.5191 0.5441 0.5441 0.7164 0.7164 0.7173 0.7173 0.7841 0.7841 0.7970 0.7970 1.0175 1.0175 1.0432 1.0432 1.2396 1.2396 1.2482 1.2482 1.4123 1.4123 1.4164 1.4164 1.5609 1.5609 1.5830 1.5830 1.7706 1.7706 1.7921 1.7921 1.9882 1.9882 2.0035 2.0035 5.2567 5.2567 5.2597 5.2597 5.7716 5.7716 5.7722 5.7722 6.5400 6.5400 6.5419 6.5419 6.8669 6.8669 6.8680 6.8680 7.2634 7.2634 7.2701 7.2701 k = 0.5000 0.3283-0.0664 ( 16894 PWs) bands (ev): -10.6129 -10.6129 -10.6128 -10.6128 -10.2075 -10.2075 -10.2075 -10.2075 -9.5517 -9.5517 -9.5517 -9.5517 -9.4131 -9.4131 -9.4131 -9.4131 -9.3457 -9.3457 -9.3456 -9.3456 -9.2829 -9.2829 -9.2829 -9.2829 -3.0356 -3.0356 -3.0353 -3.0353 -2.9690 -2.9690 -2.9689 -2.9689 -1.5069 -1.5069 -1.5048 -1.5048 -1.3167 -1.3167 -1.3138 -1.3138 -1.0186 -1.0186 -1.0123 -1.0123 -0.5880 -0.5880 -0.5701 -0.5701 -0.4021 -0.4021 -0.3855 -0.3855 -0.1275 -0.1275 -0.1264 -0.1264 0.0424 0.0424 0.0437 0.0437 0.5183 0.5183 0.5365 0.5365 0.7179 0.7179 0.7189 0.7189 0.7820 0.7820 0.7899 0.7899 1.0208 1.0208 1.0388 1.0388 1.2408 1.2408 1.2457 1.2457 1.4122 1.4122 1.4144 1.4144 1.5636 1.5636 1.5774 1.5774 1.7771 1.7771 1.7914 1.7914 1.9951 1.9951 2.0051 2.0051 5.2577 5.2577 5.2598 5.2598 5.7732 5.7732 5.7736 5.7736 6.5417 6.5417 6.5430 6.5430 6.8678 6.8678 6.8686 6.8686 7.2666 7.2666 7.2713 7.2713 k = 0.5000 0.3224-0.0848 ( 16892 PWs) bands (ev): -10.6129 -10.6129 -10.6128 -10.6128 -10.2075 -10.2075 -10.2075 -10.2075 -9.5519 -9.5519 -9.5519 -9.5519 -9.4129 -9.4129 -9.4128 -9.4128 -9.3461 -9.3461 -9.3461 -9.3461 -9.2826 -9.2826 -9.2826 -9.2826 -3.0359 -3.0359 -3.0358 -3.0358 -2.9690 -2.9690 -2.9690 -2.9690 -1.5062 -1.5062 -1.5051 -1.5051 -1.3174 -1.3174 -1.3159 -1.3159 -1.0121 -1.0121 -1.0088 -1.0088 -0.5839 -0.5839 -0.5746 -0.5746 -0.3995 -0.3995 -0.3910 -0.3910 -0.1263 -0.1263 -0.1257 -0.1257 0.0424 0.0424 0.0428 0.0428 0.5199 0.5199 0.5295 0.5295 0.7188 0.7188 0.7199 0.7199 0.7814 0.7814 0.7850 0.7850 1.0248 1.0248 1.0341 1.0341 1.2418 1.2418 1.2440 1.2440 1.4123 1.4123 1.4132 1.4132 1.5663 1.5663 1.5729 1.5729 1.7825 1.7825 1.7896 1.7896 2.0003 2.0003 2.0052 2.0052 5.2585 5.2585 5.2595 5.2595 5.7742 5.7742 5.7744 5.7744 6.5429 6.5429 6.5435 6.5435 6.8684 6.8684 6.8688 6.8688 7.2690 7.2690 7.2715 7.2715 k = 0.5000 0.3164-0.1031 ( 16896 PWs) bands (ev): -10.6129 -10.6129 -10.6128 -10.6128 -10.2075 -10.2075 -10.2075 -10.2075 -9.5520 -9.5520 -9.5520 -9.5520 -9.4128 -9.4128 -9.4127 -9.4127 -9.3463 -9.3463 -9.3462 -9.3462 -9.2825 -9.2825 -9.2825 -9.2825 -3.0360 -3.0360 -3.0360 -3.0360 -2.9691 -2.9691 -2.9690 -2.9690 -1.5056 -1.5056 -1.5056 -1.5056 -1.3171 -1.3171 -1.3171 -1.3171 -1.0088 -1.0088 -1.0088 -1.0088 -0.5794 -0.5794 -0.5793 -0.5793 -0.3958 -0.3958 -0.3958 -0.3958 -0.1257 -0.1257 -0.1257 -0.1257 0.0424 0.0424 0.0425 0.0425 0.5237 0.5237 0.5237 0.5237 0.7196 0.7196 0.7196 0.7196 0.7823 0.7823 0.7823 0.7823 1.0293 1.0293 1.0293 1.0293 1.2428 1.2428 1.2428 1.2428 1.4125 1.4125 1.4125 1.4125 1.5693 1.5693 1.5693 1.5693 1.7867 1.7867 1.7867 1.7867 2.0036 2.0036 2.0036 2.0036 5.2591 5.2591 5.2591 5.2591 5.7746 5.7746 5.7747 5.7747 6.5435 6.5435 6.5435 6.5435 6.8687 6.8687 6.8688 6.8688 7.2707 7.2707 7.2707 7.2707 k = 0.5000 0.3164-0.1031 ( 16896 PWs) bands (ev): -10.6129 -10.6129 -10.6128 -10.6128 -10.2075 -10.2075 -10.2075 -10.2075 -9.5520 -9.5520 -9.5520 -9.5520 -9.4128 -9.4128 -9.4127 -9.4127 -9.3463 -9.3463 -9.3462 -9.3462 -9.2825 -9.2825 -9.2825 -9.2825 -3.0360 -3.0360 -3.0360 -3.0360 -2.9691 -2.9691 -2.9690 -2.9690 -1.5056 -1.5056 -1.5056 -1.5056 -1.3171 -1.3171 -1.3171 -1.3171 -1.0088 -1.0088 -1.0088 -1.0088 -0.5794 -0.5794 -0.5793 -0.5793 -0.3958 -0.3958 -0.3958 -0.3958 -0.1257 -0.1257 -0.1257 -0.1257 0.0424 0.0424 0.0425 0.0425 0.5237 0.5237 0.5237 0.5237 0.7196 0.7196 0.7196 0.7196 0.7823 0.7823 0.7823 0.7823 1.0293 1.0293 1.0293 1.0293 1.2428 1.2428 1.2428 1.2428 1.4125 1.4125 1.4125 1.4125 1.5693 1.5693 1.5693 1.5693 1.7867 1.7867 1.7867 1.7867 2.0036 2.0036 2.0036 2.0036 5.2591 5.2591 5.2591 5.2591 5.7746 5.7746 5.7747 5.7747 6.5435 6.5435 6.5435 6.5435 6.8687 6.8687 6.8688 6.8688 7.2707 7.2707 7.2707 7.2707 k = 0.4808 0.3164-0.1031 ( 16906 PWs) bands (ev): -10.6173 -10.6173 -10.6092 -10.6092 -10.2098 -10.2098 -10.2046 -10.2046 -9.5620 -9.5620 -9.5427 -9.5427 -9.4138 -9.4138 -9.4118 -9.4118 -9.3478 -9.3478 -9.3439 -9.3439 -9.2868 -9.2868 -9.2779 -9.2779 -3.0361 -3.0361 -3.0355 -3.0355 -2.9736 -2.9736 -2.9644 -2.9644 -1.5097 -1.5097 -1.5005 -1.5005 -1.3197 -1.3197 -1.3131 -1.3131 -1.0160 -1.0160 -1.0008 -1.0008 -0.5827 -0.5827 -0.5750 -0.5750 -0.4025 -0.4025 -0.3885 -0.3885 -0.1323 -0.1323 -0.1195 -0.1195 0.0330 0.0330 0.0523 0.0523 0.5110 0.5110 0.5338 0.5338 0.7103 0.7103 0.7293 0.7293 0.7724 0.7724 0.7912 0.7912 1.0207 1.0207 1.0405 1.0405 1.2303 1.2303 1.2534 1.2534 1.4037 1.4037 1.4185 1.4185 1.5607 1.5607 1.5805 1.5805 1.7794 1.7794 1.7925 1.7925 1.9973 1.9973 2.0075 2.0075 5.2537 5.2537 5.2645 5.2645 5.7719 5.7719 5.7780 5.7780 6.5238 6.5238 6.5566 6.5566 6.8620 6.8620 6.8752 6.8752 7.2659 7.2659 7.2714 7.2714 k = 0.4615 0.3164-0.1031 ( 16904 PWs) bands (ev): -10.6223 -10.6223 -10.6063 -10.6063 -10.2116 -10.2116 -10.2011 -10.2011 -9.5726 -9.5726 -9.5344 -9.5344 -9.4150 -9.4150 -9.4109 -9.4109 -9.3484 -9.3484 -9.3406 -9.3406 -9.2909 -9.2909 -9.2730 -9.2730 -3.0359 -3.0359 -3.0347 -3.0347 -2.9781 -2.9781 -2.9597 -2.9597 -1.5129 -1.5129 -1.4945 -1.4945 -1.3210 -1.3210 -1.3079 -1.3079 -1.0222 -1.0222 -0.9922 -0.9922 -0.5848 -0.5848 -0.5698 -0.5698 -0.4085 -0.4085 -0.3808 -0.3808 -0.1391 -0.1391 -0.1138 -0.1138 0.0240 0.0240 0.0624 0.0624 0.4961 0.4961 0.5410 0.5410 0.7013 0.7013 0.7362 0.7362 0.7656 0.7656 0.7987 0.7987 1.0150 1.0150 1.0532 1.0532 1.2167 1.2167 1.2620 1.2620 1.3931 1.3931 1.4209 1.4209 1.5554 1.5554 1.5935 1.5935 1.7709 1.7709 1.7967 1.7967 1.9886 1.9886 2.0089 2.0089 5.2485 5.2485 5.2698 5.2698 5.7699 5.7699 5.7817 5.7817 6.4975 6.4975 6.5635 6.5635 6.8541 6.8541 6.8815 6.8815 7.2566 7.2566 7.2684 7.2684 k = 0.4423 0.3164-0.1031 ( 16900 PWs) bands (ev): -10.6281 -10.6281 -10.6042 -10.6042 -10.2128 -10.2128 -10.1971 -10.1971 -9.5837 -9.5837 -9.5271 -9.5271 -9.4163 -9.4163 -9.4099 -9.4099 -9.3483 -9.3483 -9.3366 -9.3366 -9.2945 -9.2945 -9.2681 -9.2681 -3.0354 -3.0354 -3.0335 -3.0335 -2.9824 -2.9824 -2.9552 -2.9552 -1.5151 -1.5151 -1.4876 -1.4876 -1.3207 -1.3207 -1.3015 -1.3015 -1.0274 -1.0274 -0.9830 -0.9830 -0.5856 -0.5856 -0.5641 -0.5641 -0.4134 -0.4134 -0.3733 -0.3733 -0.1459 -0.1459 -0.1087 -0.1087 0.0158 0.0158 0.0726 0.0726 0.4795 0.4795 0.5453 0.5453 0.6902 0.6902 0.7338 0.7338 0.7699 0.7699 0.8055 0.8055 1.0123 1.0123 1.0663 1.0663 1.2028 1.2028 1.2685 1.2685 1.3815 1.3815 1.4198 1.4198 1.5530 1.5530 1.6072 1.6072 1.7616 1.7616 1.7994 1.7994 1.9777 1.9777 2.0078 2.0078 5.2435 5.2435 5.2747 5.2747 5.7685 5.7685 5.7858 5.7858 6.4648 6.4648 6.5649 6.5649 6.8445 6.8445 6.8881 6.8881 7.2427 7.2427 7.2618 7.2618 k = 0.4231 0.3164-0.1031 ( 16904 PWs) bands (ev): -10.6344 -10.6344 -10.6028 -10.6028 -10.2136 -10.2136 -10.1925 -10.1925 -9.5951 -9.5951 -9.5210 -9.5210 -9.4177 -9.4177 -9.4088 -9.4088 -9.3476 -9.3476 -9.3321 -9.3321 -9.2975 -9.2975 -9.2630 -9.2630 -3.0346 -3.0346 -3.0320 -3.0320 -2.9865 -2.9865 -2.9507 -2.9507 -1.5164 -1.5164 -1.4796 -1.4796 -1.3190 -1.3190 -1.2940 -1.2940 -1.0314 -1.0314 -0.9734 -0.9734 -0.5850 -0.5850 -0.5580 -0.5580 -0.4172 -0.4172 -0.3662 -0.3662 -0.1526 -0.1526 -0.1046 -0.1046 0.0087 0.0087 0.0828 0.0828 0.4618 0.4618 0.5466 0.5466 0.6744 0.6744 0.7282 0.7282 0.7808 0.7808 0.8132 0.8132 1.0121 1.0121 1.0777 1.0777 1.1904 1.1904 1.2727 1.2727 1.3696 1.3696 1.4158 1.4158 1.5526 1.5526 1.6203 1.6203 1.7521 1.7521 1.8007 1.8007 1.9648 1.9648 2.0045 2.0045 5.2387 5.2387 5.2790 5.2790 5.7676 5.7676 5.7900 5.7900 6.4261 6.4261 6.5616 6.5616 6.8323 6.8323 6.8948 6.8948 7.2238 7.2238 7.2520 7.2520 k = 0.4038 0.3164-0.1031 ( 16900 PWs) bands (ev): -10.6411 -10.6411 -10.6022 -10.6022 -10.2139 -10.2139 -10.1875 -10.1875 -9.6068 -9.6068 -9.5161 -9.5161 -9.4193 -9.4193 -9.4075 -9.4075 -9.3462 -9.3462 -9.3274 -9.3274 -9.2995 -9.2995 -9.2578 -9.2578 -3.0335 -3.0335 -3.0302 -3.0302 -2.9902 -2.9902 -2.9465 -2.9465 -1.5168 -1.5168 -1.4708 -1.4708 -1.3157 -1.3157 -1.2855 -1.2855 -1.0340 -1.0340 -0.9635 -0.9635 -0.5829 -0.5829 -0.5518 -0.5518 -0.4198 -0.4198 -0.3599 -0.3599 -0.1591 -0.1591 -0.1015 -0.1015 0.0029 0.0029 0.0928 0.0928 0.4434 0.4434 0.5447 0.5447 0.6539 0.6539 0.7251 0.7251 0.7912 0.7912 0.8236 0.8236 1.0138 1.0138 1.0848 1.0848 1.1824 1.1824 1.2749 1.2749 1.3576 1.3576 1.4103 1.4103 1.5529 1.5529 1.6313 1.6313 1.7434 1.7434 1.8007 1.8007 1.9505 1.9505 1.9991 1.9991 5.2340 5.2340 5.2822 5.2822 5.7672 5.7672 5.7943 5.7943 6.3822 6.3822 6.5546 6.5546 6.8169 6.8169 6.9015 6.9015 7.1999 7.1999 7.2378 7.2378 k = 0.3846 0.3164-0.1031 ( 16894 PWs) bands (ev): -10.6483 -10.6483 -10.6022 -10.6022 -10.2139 -10.2139 -10.1820 -10.1820 -9.6185 -9.6185 -9.5123 -9.5123 -9.4209 -9.4209 -9.4061 -9.4061 -9.3444 -9.3444 -9.3233 -9.3233 -9.2997 -9.2997 -9.2525 -9.2525 -3.0322 -3.0322 -3.0282 -3.0282 -2.9935 -2.9935 -2.9425 -2.9425 -1.5162 -1.5162 -1.4610 -1.4610 -1.3109 -1.3109 -1.2762 -1.2762 -1.0351 -1.0351 -0.9535 -0.9535 -0.5794 -0.5794 -0.5458 -0.5458 -0.4212 -0.4212 -0.3548 -0.3548 -0.1653 -0.1653 -0.0997 -0.0997 -0.0011 -0.0011 0.1025 0.1025 0.4245 0.4245 0.5387 0.5387 0.6323 0.6323 0.7242 0.7242 0.7991 0.7991 0.8371 0.8371 1.0165 1.0165 1.0852 1.0852 1.1813 1.1813 1.2751 1.2751 1.3458 1.3458 1.4043 1.4043 1.5528 1.5528 1.6384 1.6384 1.7368 1.7368 1.7999 1.7999 1.9354 1.9354 1.9919 1.9919 5.2293 5.2293 5.2841 5.2841 5.7667 5.7667 5.7984 5.7984 6.3338 6.3338 6.5446 6.5446 6.7980 6.7980 6.9077 6.9077 7.1723 7.1723 7.2172 7.2172 k = 0.3654 0.3164-0.1031 ( 16896 PWs) bands (ev): -10.6558 -10.6558 -10.6028 -10.6028 -10.2136 -10.2136 -10.1762 -10.1762 -9.6301 -9.6301 -9.5096 -9.5096 -9.4226 -9.4226 -9.4046 -9.4046 -9.3423 -9.3423 -9.3209 -9.3209 -9.2974 -9.2974 -9.2473 -9.2473 -3.0308 -3.0308 -3.0259 -3.0259 -2.9963 -2.9963 -2.9388 -2.9388 -1.5146 -1.5146 -1.4502 -1.4502 -1.3046 -1.3046 -1.2661 -1.2661 -1.0345 -1.0345 -0.9433 -0.9433 -0.5745 -0.5745 -0.5402 -0.5402 -0.4216 -0.4216 -0.3513 -0.3513 -0.1711 -0.1711 -0.0995 -0.0995 -0.0030 -0.0030 0.1114 0.1114 0.4053 0.4053 0.5263 0.5263 0.6140 0.6140 0.7244 0.7244 0.8051 0.8051 0.8521 0.8521 1.0197 1.0197 1.0798 1.0798 1.1867 1.1867 1.2738 1.2738 1.3340 1.3340 1.3990 1.3990 1.5515 1.5515 1.6402 1.6402 1.7329 1.7329 1.7985 1.7985 1.9204 1.9204 1.9829 1.9829 5.2246 5.2246 5.2841 5.2841 5.7657 5.7657 5.8023 5.8023 6.2817 6.2817 6.5325 6.5325 6.7755 6.7755 6.9127 6.9127 7.1430 7.1430 7.1932 7.1932 k = 0.3462 0.3164-0.1031 ( 16870 PWs) bands (ev): -10.6635 -10.6635 -10.6040 -10.6040 -10.2129 -10.2129 -10.1701 -10.1701 -9.6417 -9.6417 -9.5079 -9.5079 -9.4242 -9.4242 -9.4030 -9.4030 -9.3399 -9.3399 -9.3202 -9.3202 -9.2923 -9.2923 -9.2420 -9.2420 -3.0294 -3.0294 -3.0235 -3.0235 -2.9986 -2.9986 -2.9354 -2.9354 -1.5121 -1.5121 -1.4385 -1.4385 -1.2967 -1.2967 -1.2554 -1.2554 -1.0323 -1.0323 -0.9332 -0.9332 -0.5685 -0.5685 -0.5351 -0.5351 -0.4210 -0.4210 -0.3495 -0.3495 -0.1766 -0.1766 -0.1009 -0.1009 -0.0024 -0.0024 0.1194 0.1194 0.3857 0.3857 0.5063 0.5063 0.6026 0.6026 0.7248 0.7248 0.8100 0.8100 0.8668 0.8668 1.0227 1.0227 1.0718 1.0718 1.1955 1.1955 1.2716 1.2716 1.3223 1.3223 1.3947 1.3947 1.5489 1.5489 1.6367 1.6367 1.7306 1.7306 1.7969 1.7969 1.9066 1.9066 1.9727 1.9727 5.2198 5.2198 5.2821 5.2821 5.7636 5.7636 5.8060 5.8060 6.2267 6.2267 6.5190 6.5190 6.7500 6.7500 6.9154 6.9154 7.1147 7.1147 7.1689 7.1689 k = 0.3269 0.3164-0.1031 ( 16884 PWs) bands (ev): -10.6714 -10.6714 -10.6057 -10.6057 -10.2121 -10.2121 -10.1638 -10.1638 -9.6530 -9.6530 -9.5070 -9.5070 -9.4259 -9.4259 -9.4014 -9.4014 -9.3373 -9.3373 -9.3207 -9.3207 -9.2853 -9.2853 -9.2367 -9.2367 -3.0280 -3.0280 -3.0209 -3.0209 -3.0003 -3.0003 -2.9323 -2.9323 -1.5086 -1.5086 -1.4260 -1.4260 -1.2874 -1.2874 -1.2442 -1.2442 -1.0282 -1.0282 -0.9233 -0.9233 -0.5616 -0.5616 -0.5306 -0.5306 -0.4197 -0.4197 -0.3495 -0.3495 -0.1817 -0.1817 -0.1041 -0.1041 0.0005 0.0005 0.1262 0.1262 0.3653 0.3653 0.4805 0.4805 0.5981 0.5981 0.7252 0.7252 0.8138 0.8138 0.8798 0.8798 1.0256 1.0256 1.0644 1.0644 1.2037 1.2037 1.2693 1.2693 1.3112 1.3112 1.3919 1.3919 1.5448 1.5448 1.6294 1.6294 1.7271 1.7271 1.7958 1.7958 1.8953 1.8953 1.9613 1.9613 5.2149 5.2149 5.2777 5.2777 5.7598 5.7598 5.8092 5.8092 6.1697 6.1697 6.5048 6.5048 6.7220 6.7220 6.9142 6.9142 7.0893 7.0893 7.1456 7.1456 k = 0.3077 0.3164-0.1031 ( 16886 PWs) bands (ev): -10.6792 -10.6792 -10.6077 -10.6077 -10.2111 -10.2111 -10.1574 -10.1574 -9.6640 -9.6640 -9.5068 -9.5068 -9.4275 -9.4275 -9.3999 -9.3999 -9.3345 -9.3345 -9.3214 -9.3214 -9.2774 -9.2774 -9.2316 -9.2316 -3.0268 -3.0268 -3.0182 -3.0182 -3.0013 -3.0013 -2.9296 -2.9296 -1.5041 -1.5041 -1.4126 -1.4126 -1.2769 -1.2769 -1.2324 -1.2324 -1.0222 -1.0222 -0.9137 -0.9137 -0.5540 -0.5540 -0.5266 -0.5266 -0.4179 -0.4179 -0.3512 -0.3512 -0.1865 -0.1865 -0.1089 -0.1089 0.0056 0.0056 0.1314 0.1314 0.3432 0.3432 0.4529 0.4529 0.5983 0.5983 0.7255 0.7255 0.8162 0.8162 0.8905 0.8905 1.0288 1.0288 1.0591 1.0591 1.2081 1.2081 1.2672 1.2672 1.3022 1.3022 1.3909 1.3909 1.5392 1.5392 1.6204 1.6204 1.7195 1.7195 1.7955 1.7955 1.8875 1.8875 1.9493 1.9493 5.2099 5.2099 5.2709 5.2709 5.7539 5.7539 5.8120 5.8120 6.1115 6.1115 6.4903 6.4903 6.6926 6.6926 6.9080 6.9080 7.0680 7.0680 7.1241 7.1241 k = 0.2885 0.3164-0.1031 ( 16884 PWs) bands (ev): -10.6870 -10.6870 -10.6101 -10.6101 -10.2101 -10.2101 -10.1509 -10.1509 -9.6747 -9.6747 -9.5072 -9.5072 -9.4291 -9.4291 -9.3986 -9.3986 -9.3318 -9.3318 -9.3220 -9.3220 -9.2690 -9.2690 -9.2265 -9.2265 -3.0258 -3.0258 -3.0155 -3.0155 -3.0016 -3.0016 -2.9272 -2.9272 -1.4988 -1.4988 -1.3985 -1.3985 -1.2652 -1.2652 -1.2201 -1.2201 -1.0144 -1.0144 -0.9045 -0.9045 -0.5466 -0.5466 -0.5228 -0.5228 -0.4158 -0.4158 -0.3544 -0.3544 -0.1911 -0.1911 -0.1152 -0.1152 0.0123 0.0123 0.1348 0.1348 0.3185 0.3185 0.4271 0.4271 0.6017 0.6017 0.7259 0.7259 0.8166 0.8166 0.8989 0.8989 1.0327 1.0327 1.0561 1.0561 1.2064 1.2064 1.2639 1.2639 1.2981 1.2981 1.3918 1.3918 1.5324 1.5324 1.6113 1.6113 1.7070 1.7070 1.7956 1.7956 1.8838 1.8838 1.9371 1.9371 5.2047 5.2047 5.2616 5.2616 5.7452 5.7452 5.8139 5.8139 6.0528 6.0528 6.4763 6.4763 6.6626 6.6626 6.8963 6.8963 7.0502 7.0502 7.1060 7.1060 k = 0.2692 0.3164-0.1031 ( 16900 PWs) bands (ev): -10.6947 -10.6947 -10.6127 -10.6127 -10.2089 -10.2089 -10.1446 -10.1446 -9.6850 -9.6850 -9.5080 -9.5080 -9.4306 -9.4306 -9.3976 -9.3976 -9.3290 -9.3290 -9.3225 -9.3225 -9.2604 -9.2604 -9.2215 -9.2215 -3.0250 -3.0250 -3.0128 -3.0128 -3.0013 -3.0013 -2.9252 -2.9252 -1.4925 -1.4925 -1.3838 -1.3838 -1.2527 -1.2527 -1.2071 -1.2071 -1.0047 -1.0047 -0.8959 -0.8959 -0.5403 -0.5403 -0.5182 -0.5182 -0.4137 -0.4137 -0.3588 -0.3588 -0.1955 -0.1955 -0.1226 -0.1226 0.0197 0.0197 0.1364 0.1364 0.2904 0.2904 0.4057 0.4057 0.6073 0.6073 0.7267 0.7267 0.8147 0.8147 0.9056 0.9056 1.0371 1.0371 1.0553 1.0553 1.1981 1.1981 1.2580 1.2580 1.3003 1.3003 1.3945 1.3945 1.5244 1.5244 1.6033 1.6033 1.6901 1.6901 1.7951 1.7951 1.8833 1.8833 1.9254 1.9254 5.1994 5.1994 5.2499 5.2499 5.7337 5.7337 5.8149 5.8149 5.9945 5.9945 6.4631 6.4631 6.6329 6.6329 6.8802 6.8802 7.0333 7.0333 7.0926 7.0926 k = 0.2500 0.3164-0.1031 ( 16906 PWs) bands (ev): -10.7022 -10.7022 -10.6155 -10.6155 -10.2077 -10.2077 -10.1383 -10.1383 -9.6947 -9.6947 -9.5091 -9.5091 -9.4320 -9.4320 -9.3968 -9.3968 -9.3263 -9.3263 -9.3226 -9.3226 -9.2518 -9.2518 -9.2167 -9.2167 -3.0244 -3.0244 -3.0101 -3.0101 -3.0004 -3.0004 -2.9236 -2.9236 -1.4854 -1.4854 -1.3685 -1.3685 -1.2397 -1.2397 -1.1932 -1.1932 -0.9934 -0.9934 -0.8882 -0.8882 -0.5363 -0.5363 -0.5119 -0.5119 -0.4120 -0.4120 -0.3640 -0.3640 -0.1999 -0.1999 -0.1311 -0.1311 0.0268 0.0268 0.1364 0.1364 0.2593 0.2593 0.3897 0.3897 0.6143 0.6143 0.7281 0.7281 0.8108 0.8108 0.9114 0.9114 1.0402 1.0402 1.0575 1.0575 1.1846 1.1846 1.2515 1.2515 1.3055 1.3055 1.3990 1.3990 1.5156 1.5156 1.5970 1.5970 1.6703 1.6703 1.7934 1.7934 1.8839 1.8839 1.9159 1.9159 5.1941 5.1941 5.2361 5.2361 5.7191 5.7191 5.8145 5.8145 5.9374 5.9374 6.4510 6.4510 6.6044 6.6044 6.8613 6.8613 7.0156 7.0156 7.0833 7.0833 k = 0.2308 0.3164-0.1031 ( 16894 PWs) bands (ev): -10.7094 -10.7094 -10.6184 -10.6184 -10.2066 -10.2066 -10.1322 -10.1322 -9.7040 -9.7040 -9.5104 -9.5104 -9.4334 -9.4334 -9.3962 -9.3962 -9.3236 -9.3236 -9.3224 -9.3224 -9.2434 -9.2434 -9.2121 -9.2121 -3.0239 -3.0239 -3.0075 -3.0075 -2.9991 -2.9991 -2.9223 -2.9223 -1.4776 -1.4776 -1.3528 -1.3528 -1.2266 -1.2266 -1.1781 -1.1781 -0.9807 -0.9807 -0.8816 -0.8816 -0.5349 -0.5349 -0.5037 -0.5037 -0.4110 -0.4110 -0.3695 -0.3695 -0.2043 -0.2043 -0.1401 -0.1401 0.0319 0.0319 0.1349 0.1349 0.2275 0.2275 0.3788 0.3788 0.6220 0.6220 0.7304 0.7304 0.8059 0.8059 0.9166 0.9166 1.0409 1.0409 1.0627 1.0627 1.1674 1.1674 1.2457 1.2457 1.3109 1.3109 1.4047 1.4047 1.5069 1.5069 1.5923 1.5923 1.6493 1.6493 1.7904 1.7904 1.8816 1.8816 1.9118 1.9118 5.1886 5.1886 5.2206 5.2206 5.7018 5.7018 5.8124 5.8124 5.8825 5.8825 6.4403 6.4403 6.5777 6.5777 6.8415 6.8415 6.9971 6.9971 7.0756 7.0756 k = 0.2115 0.3164-0.1031 ( 16878 PWs) bands (ev): -10.7163 -10.7163 -10.6213 -10.6213 -10.2054 -10.2054 -10.1264 -10.1264 -9.7126 -9.7126 -9.5119 -9.5119 -9.4346 -9.4346 -9.3960 -9.3960 -9.3220 -9.3220 -9.3211 -9.3211 -9.2353 -9.2353 -9.2077 -9.2077 -3.0234 -3.0234 -3.0050 -3.0050 -2.9976 -2.9976 -2.9213 -2.9213 -1.4692 -1.4692 -1.3368 -1.3368 -1.2138 -1.2138 -1.1618 -1.1618 -0.9667 -0.9667 -0.8762 -0.8762 -0.5351 -0.5351 -0.4947 -0.4947 -0.4112 -0.4112 -0.3747 -0.3747 -0.2090 -0.2090 -0.1493 -0.1493 0.0335 0.0335 0.1300 0.1300 0.1993 0.1993 0.3719 0.3719 0.6299 0.6299 0.7332 0.7332 0.8011 0.8011 0.9211 0.9211 1.0398 1.0398 1.0687 1.0687 1.1490 1.1490 1.2407 1.2407 1.3152 1.3152 1.4108 1.4108 1.4992 1.4992 1.5885 1.5885 1.6288 1.6288 1.7859 1.7859 1.8748 1.8748 1.9141 1.9141 5.1829 5.1829 5.2040 5.2040 5.6820 5.6820 5.8052 5.8052 5.8336 5.8336 6.4312 6.4312 6.5532 6.5532 6.8217 6.8217 6.9786 6.9786 7.0665 7.0665 k = 0.1923 0.3164-0.1031 ( 16870 PWs) bands (ev): -10.7227 -10.7227 -10.6241 -10.6241 -10.2043 -10.2043 -10.1209 -10.1209 -9.7206 -9.7206 -9.5134 -9.5134 -9.4358 -9.4358 -9.3959 -9.3959 -9.3213 -9.3213 -9.3186 -9.3186 -9.2276 -9.2276 -9.2036 -9.2036 -3.0228 -3.0228 -3.0027 -3.0027 -2.9959 -2.9959 -2.9206 -2.9206 -1.4603 -1.4603 -1.3208 -1.3208 -1.2015 -1.2015 -1.1441 -1.1441 -0.9519 -0.9519 -0.8723 -0.8723 -0.5363 -0.5363 -0.4855 -0.4855 -0.4131 -0.4131 -0.3788 -0.3788 -0.2142 -0.2142 -0.1582 -0.1582 0.0306 0.0306 0.1158 0.1158 0.1833 0.1833 0.3681 0.3681 0.6373 0.6373 0.7357 0.7357 0.7982 0.7982 0.9245 0.9245 1.0379 1.0379 1.0730 1.0730 1.1318 1.1318 1.2361 1.2361 1.3179 1.3179 1.4161 1.4161 1.4932 1.4932 1.5835 1.5835 1.6117 1.6117 1.7801 1.7801 1.8663 1.8663 1.9199 1.9199 5.1760 5.1760 5.1879 5.1879 5.6604 5.6604 5.7717 5.7717 5.8129 5.8129 6.4235 6.4235 6.5311 6.5311 6.8028 6.8028 6.9607 6.9607 7.0552 7.0552 k = 0.1731 0.3164-0.1031 ( 16878 PWs) bands (ev): -10.7287 -10.7287 -10.6269 -10.6269 -10.2033 -10.2033 -10.1158 -10.1158 -9.7280 -9.7280 -9.5149 -9.5149 -9.4368 -9.4368 -9.3960 -9.3960 -9.3204 -9.3204 -9.3164 -9.3164 -9.2204 -9.2204 -9.1997 -9.1997 -3.0222 -3.0222 -3.0007 -3.0007 -2.9941 -2.9941 -2.9202 -2.9202 -1.4512 -1.4512 -1.3050 -1.3050 -1.1897 -1.1897 -1.1252 -1.1252 -0.9366 -0.9366 -0.8701 -0.8701 -0.5378 -0.5378 -0.4771 -0.4771 -0.4170 -0.4170 -0.3811 -0.3811 -0.2204 -0.2204 -0.1662 -0.1662 0.0231 0.0231 0.0902 0.0902 0.1826 0.1826 0.3667 0.3667 0.6442 0.6442 0.7365 0.7365 0.7990 0.7990 0.9263 0.9263 1.0356 1.0356 1.0726 1.0726 1.1194 1.1194 1.2319 1.2319 1.3190 1.3190 1.4197 1.4197 1.4891 1.4891 1.5743 1.5743 1.6023 1.6023 1.7731 1.7731 1.8579 1.8579 1.9269 1.9269 5.1636 5.1636 5.1771 5.1771 5.6376 5.6376 5.7264 5.7264 5.8063 5.8063 6.4172 6.4172 6.5116 6.5116 6.7852 6.7852 6.9439 6.9439 7.0421 7.0421 k = 0.1538 0.3164-0.1031 ( 16870 PWs) bands (ev): -10.7342 -10.7342 -10.6295 -10.6295 -10.2024 -10.2024 -10.1111 -10.1111 -9.7347 -9.7347 -9.5163 -9.5163 -9.4378 -9.4378 -9.3962 -9.3962 -9.3195 -9.3195 -9.3143 -9.3143 -9.2137 -9.2137 -9.1962 -9.1962 -3.0214 -3.0214 -2.9988 -2.9988 -2.9923 -2.9923 -2.9199 -2.9199 -1.4419 -1.4419 -1.2896 -1.2896 -1.1786 -1.1786 -1.1054 -1.1054 -0.9212 -0.9212 -0.8696 -0.8696 -0.5394 -0.5394 -0.4702 -0.4702 -0.4223 -0.4223 -0.3817 -0.3817 -0.2278 -0.2278 -0.1725 -0.1725 0.0120 0.0120 0.0600 0.0600 0.1906 0.1906 0.3669 0.3669 0.6504 0.6504 0.7348 0.7348 0.8042 0.8042 0.9261 0.9261 1.0326 1.0326 1.0659 1.0659 1.1149 1.1149 1.2275 1.2275 1.3189 1.3189 1.4213 1.4213 1.4854 1.4854 1.5633 1.5633 1.5994 1.5994 1.7651 1.7651 1.8505 1.8505 1.9340 1.9340 5.1468 5.1468 5.1710 5.1710 5.6144 5.6144 5.6835 5.6835 5.8005 5.8005 6.4122 6.4122 6.4946 6.4946 6.7690 6.7690 6.9285 6.9285 7.0284 7.0284 k = 0.1346 0.3164-0.1031 ( 16876 PWs) bands (ev): -10.7391 -10.7391 -10.6319 -10.6319 -10.2015 -10.2015 -10.1069 -10.1069 -9.7407 -9.7407 -9.5177 -9.5177 -9.4386 -9.4386 -9.3965 -9.3965 -9.3185 -9.3185 -9.3125 -9.3125 -9.2077 -9.2077 -9.1930 -9.1930 -3.0207 -3.0207 -2.9973 -2.9973 -2.9906 -2.9906 -2.9198 -2.9198 -1.4329 -1.4329 -1.2749 -1.2749 -1.1683 -1.1683 -1.0850 -1.0850 -0.9067 -0.9067 -0.8705 -0.8705 -0.5407 -0.5407 -0.4659 -0.4659 -0.4277 -0.4277 -0.3806 -0.3806 -0.2366 -0.2366 -0.1767 -0.1767 -0.0015 -0.0015 0.0297 0.0297 0.2023 0.2023 0.3680 0.3680 0.6561 0.6561 0.7313 0.7313 0.8125 0.8125 0.9236 0.9236 1.0287 1.0287 1.0564 1.0564 1.1160 1.1160 1.2230 1.2230 1.3179 1.3179 1.4216 1.4216 1.4797 1.4797 1.5560 1.5560 1.5993 1.5993 1.7566 1.7566 1.8444 1.8444 1.9409 1.9409 5.1297 5.1297 5.1663 5.1663 5.5917 5.5917 5.6444 5.6444 5.7946 5.7946 6.4082 6.4082 6.4800 6.4800 6.7544 6.7544 6.9148 6.9148 7.0147 7.0147 k = 0.1154 0.3164-0.1031 ( 16850 PWs) bands (ev): -10.7435 -10.7435 -10.6341 -10.6341 -10.2008 -10.2008 -10.1032 -10.1032 -9.7459 -9.7459 -9.5189 -9.5189 -9.4394 -9.4394 -9.3968 -9.3968 -9.3175 -9.3175 -9.3108 -9.3108 -9.2024 -9.2024 -9.1901 -9.1901 -3.0198 -3.0198 -2.9960 -2.9960 -2.9891 -2.9891 -2.9199 -2.9199 -1.4243 -1.4243 -1.2612 -1.2612 -1.1587 -1.1587 -1.0644 -1.0644 -0.8951 -0.8951 -0.8711 -0.8711 -0.5414 -0.5414 -0.4655 -0.4655 -0.4321 -0.4321 -0.3779 -0.3779 -0.2464 -0.2464 -0.1787 -0.1787 -0.0172 -0.0172 0.0023 0.0023 0.2155 0.2155 0.3697 0.3697 0.6613 0.6613 0.7270 0.7270 0.8218 0.8218 0.9195 0.9195 1.0232 1.0232 1.0484 1.0484 1.1193 1.1193 1.2180 1.2180 1.3164 1.3164 1.4214 1.4214 1.4710 1.4710 1.5537 1.5537 1.6004 1.6004 1.7480 1.7480 1.8394 1.8394 1.9472 1.9472 5.1137 5.1137 5.1621 5.1621 5.5703 5.5703 5.6098 5.6098 5.7887 5.7887 6.4051 6.4051 6.4677 6.4677 6.7415 6.7415 6.9027 6.9027 7.0017 7.0017 k = 0.0962 0.3164-0.1031 ( 16868 PWs) bands (ev): -10.7472 -10.7472 -10.6360 -10.6360 -10.2001 -10.2001 -10.1000 -10.1000 -9.7503 -9.7503 -9.5200 -9.5200 -9.4400 -9.4400 -9.3972 -9.3972 -9.3166 -9.3166 -9.3094 -9.3094 -9.1978 -9.1978 -9.1877 -9.1877 -3.0190 -3.0190 -2.9950 -2.9950 -2.9876 -2.9876 -2.9200 -2.9200 -1.4164 -1.4164 -1.2488 -1.2488 -1.1502 -1.1502 -1.0438 -1.0438 -0.8921 -0.8921 -0.8661 -0.8661 -0.5413 -0.5413 -0.4692 -0.4692 -0.4346 -0.4346 -0.3736 -0.3736 -0.2569 -0.2569 -0.1786 -0.1786 -0.0364 -0.0364 -0.0190 -0.0190 0.2287 0.2287 0.3716 0.3716 0.6659 0.6659 0.7230 0.7230 0.8298 0.8298 0.9154 0.9154 1.0164 1.0164 1.0434 1.0434 1.1236 1.1236 1.2128 1.2128 1.3147 1.3147 1.4213 1.4213 1.4605 1.4605 1.5547 1.5547 1.6025 1.6025 1.7396 1.7396 1.8355 1.8355 1.9528 1.9528 5.0991 5.0991 5.1585 5.1585 5.5510 5.5510 5.5800 5.5800 5.7831 5.7831 6.4028 6.4028 6.4576 6.4576 6.7305 6.7305 6.8924 6.8924 6.9900 6.9900 k = 0.0769 0.3164-0.1031 ( 16868 PWs) bands (ev): -10.7503 -10.7503 -10.6376 -10.6376 -10.1996 -10.1996 -10.0973 -10.0973 -9.7540 -9.7540 -9.5209 -9.5209 -9.4405 -9.4405 -9.3975 -9.3975 -9.3158 -9.3158 -9.3083 -9.3083 -9.1940 -9.1940 -9.1856 -9.1856 -3.0183 -3.0183 -2.9942 -2.9942 -2.9864 -2.9864 -2.9202 -2.9202 -1.4095 -1.4095 -1.2381 -1.2381 -1.1428 -1.1428 -1.0236 -1.0236 -0.8976 -0.8976 -0.8562 -0.8562 -0.5405 -0.5405 -0.4756 -0.4756 -0.4362 -0.4362 -0.3682 -0.3682 -0.2676 -0.2676 -0.1765 -0.1765 -0.0579 -0.0579 -0.0338 -0.0338 0.2409 0.2409 0.3734 0.3734 0.6699 0.6699 0.7199 0.7199 0.8343 0.8343 0.9137 0.9137 1.0090 1.0090 1.0405 1.0405 1.1281 1.1281 1.2073 1.2073 1.3131 1.3131 1.4214 1.4214 1.4500 1.4500 1.5566 1.5566 1.6056 1.6056 1.7317 1.7317 1.8326 1.8326 1.9575 1.9575 5.0866 5.0866 5.1554 5.1554 5.5342 5.5342 5.5553 5.5553 5.7780 5.7780 6.4010 6.4010 6.4495 6.4495 6.7213 6.7213 6.8840 6.8840 6.9799 6.9799 k = 0.0577 0.3164-0.1031 ( 16878 PWs) bands (ev): -10.7527 -10.7527 -10.6388 -10.6388 -10.1992 -10.1992 -10.0953 -10.0953 -9.7569 -9.7569 -9.5216 -9.5216 -9.4409 -9.4409 -9.3978 -9.3978 -9.3151 -9.3151 -9.3073 -9.3073 -9.1910 -9.1910 -9.1841 -9.1841 -3.0176 -3.0176 -2.9936 -2.9936 -2.9854 -2.9854 -2.9204 -2.9204 -1.4038 -1.4038 -1.2293 -1.2293 -1.1368 -1.1368 -1.0039 -1.0039 -0.9071 -0.9071 -0.8462 -0.8462 -0.5388 -0.5388 -0.4830 -0.4830 -0.4377 -0.4377 -0.3619 -0.3619 -0.2778 -0.2778 -0.1729 -0.1729 -0.0780 -0.0780 -0.0449 -0.0449 0.2513 0.2513 0.3749 0.3749 0.6731 0.6731 0.7178 0.7178 0.8345 0.8345 0.9157 0.9157 1.0016 1.0016 1.0389 1.0389 1.1328 1.1328 1.2018 1.2018 1.3118 1.3118 1.4217 1.4217 1.4408 1.4408 1.5580 1.5580 1.6095 1.6095 1.7248 1.7248 1.8305 1.8305 1.9613 1.9613 5.0765 5.0765 5.1530 5.1530 5.5207 5.5207 5.5358 5.5358 5.7738 5.7738 6.3997 6.3997 6.4434 6.4434 6.7140 6.7140 6.8774 6.8774 6.9717 6.9717 k = 0.0385 0.3164-0.1031 ( 16890 PWs) bands (ev): -10.7545 -10.7545 -10.6397 -10.6397 -10.1989 -10.1989 -10.0938 -10.0938 -9.7589 -9.7589 -9.5222 -9.5222 -9.4412 -9.4412 -9.3980 -9.3980 -9.3146 -9.3146 -9.3067 -9.3067 -9.1889 -9.1889 -9.1829 -9.1829 -3.0171 -3.0171 -2.9932 -2.9932 -2.9847 -2.9847 -2.9205 -2.9205 -1.3996 -1.3996 -1.2227 -1.2227 -1.1324 -1.1324 -0.9852 -0.9852 -0.9190 -0.9190 -0.8381 -0.8381 -0.5367 -0.5367 -0.4899 -0.4899 -0.4390 -0.4390 -0.3557 -0.3557 -0.2869 -0.2869 -0.1682 -0.1682 -0.0946 -0.0946 -0.0530 -0.0530 0.2593 0.2593 0.3761 0.3761 0.6753 0.6753 0.7166 0.7166 0.8320 0.8320 0.9202 0.9202 0.9948 0.9948 1.0381 1.0381 1.1371 1.1371 1.1970 1.1970 1.3108 1.3108 1.4224 1.4224 1.4336 1.4336 1.5586 1.5586 1.6134 1.6134 1.7193 1.7193 1.8291 1.8291 1.9640 1.9640 5.0691 5.0691 5.1511 5.1511 5.5108 5.5108 5.5218 5.5218 5.7706 5.7706 6.3989 6.3989 6.4390 6.4390 6.7087 6.7087 6.8727 6.8727 6.9657 6.9657 k = 0.0192 0.3164-0.1031 ( 16886 PWs) bands (ev): -10.7555 -10.7555 -10.6403 -10.6403 -10.1987 -10.1987 -10.0929 -10.0929 -9.7602 -9.7602 -9.5225 -9.5225 -9.4414 -9.4414 -9.3982 -9.3982 -9.3143 -9.3143 -9.3063 -9.3063 -9.1876 -9.1876 -9.1822 -9.1822 -3.0168 -3.0168 -2.9930 -2.9930 -2.9843 -2.9843 -2.9206 -2.9206 -1.3970 -1.3970 -1.2187 -1.2187 -1.1297 -1.1297 -0.9679 -0.9679 -0.9322 -0.9322 -0.8329 -0.8329 -0.5347 -0.5347 -0.4950 -0.4950 -0.4400 -0.4400 -0.3507 -0.3507 -0.2934 -0.2934 -0.1638 -0.1638 -0.1063 -0.1063 -0.0579 -0.0579 0.2643 0.2643 0.3769 0.3769 0.6767 0.6767 0.7162 0.7162 0.8292 0.8292 0.9248 0.9248 0.9896 0.9896 1.0377 1.0377 1.1402 1.1402 1.1934 1.1934 1.3102 1.3102 1.4235 1.4235 1.4286 1.4286 1.5588 1.5588 1.6163 1.6163 1.7156 1.7156 1.8284 1.8284 1.9657 1.9657 5.0646 5.0646 5.1500 5.1500 5.5049 5.5049 5.5133 5.5133 5.7686 5.7686 6.3984 6.3984 6.4365 6.4365 6.7056 6.7056 6.8699 6.8699 6.9620 6.9620 k = 0.0000 0.3164-0.1031 ( 16876 PWs) bands (ev): -10.7559 -10.7559 -10.6405 -10.6405 -10.1987 -10.1987 -10.0925 -10.0925 -9.7606 -9.7606 -9.5226 -9.5226 -9.4415 -9.4415 -9.3982 -9.3982 -9.3142 -9.3142 -9.3062 -9.3062 -9.1872 -9.1872 -9.1820 -9.1820 -3.0167 -3.0167 -2.9929 -2.9929 -2.9841 -2.9841 -2.9206 -2.9206 -1.3961 -1.3961 -1.2174 -1.2174 -1.1288 -1.1288 -0.9566 -0.9566 -0.9421 -0.9421 -0.8312 -0.8312 -0.5338 -0.5338 -0.4969 -0.4969 -0.4403 -0.4403 -0.3488 -0.3488 -0.2960 -0.2960 -0.1617 -0.1617 -0.1107 -0.1107 -0.0595 -0.0595 0.2660 0.2660 0.3771 0.3771 0.6771 0.6771 0.7162 0.7162 0.8281 0.8281 0.9268 0.9268 0.9876 0.9876 1.0376 1.0376 1.1414 1.1414 1.1921 1.1921 1.3100 1.3100 1.4251 1.4251 1.4257 1.4257 1.5588 1.5588 1.6174 1.6174 1.7144 1.7144 1.8281 1.8281 1.9662 1.9662 5.0631 5.0631 5.1496 5.1496 5.5029 5.5029 5.5104 5.5104 5.7679 5.7679 6.3982 6.3982 6.4356 6.4356 6.7045 6.7045 6.8689 6.8689 6.9608 6.9608 k = 0.0000 0.3164-0.1031 ( 16876 PWs) bands (ev): -10.7559 -10.7559 -10.6405 -10.6405 -10.1987 -10.1987 -10.0925 -10.0925 -9.7606 -9.7606 -9.5226 -9.5226 -9.4415 -9.4415 -9.3982 -9.3982 -9.3142 -9.3142 -9.3062 -9.3062 -9.1872 -9.1872 -9.1820 -9.1820 -3.0167 -3.0167 -2.9929 -2.9929 -2.9841 -2.9841 -2.9206 -2.9206 -1.3961 -1.3961 -1.2174 -1.2174 -1.1288 -1.1288 -0.9566 -0.9566 -0.9421 -0.9421 -0.8312 -0.8312 -0.5338 -0.5338 -0.4969 -0.4969 -0.4403 -0.4403 -0.3488 -0.3488 -0.2960 -0.2960 -0.1617 -0.1617 -0.1107 -0.1107 -0.0595 -0.0595 0.2660 0.2660 0.3771 0.3771 0.6771 0.6771 0.7162 0.7162 0.8281 0.8281 0.9268 0.9268 0.9876 0.9876 1.0376 1.0376 1.1414 1.1414 1.1921 1.1921 1.3100 1.3100 1.4251 1.4251 1.4257 1.4257 1.5588 1.5588 1.6174 1.6174 1.7144 1.7144 1.8281 1.8281 1.9662 1.9662 5.0631 5.0631 5.1496 5.1496 5.5029 5.5029 5.5104 5.5104 5.7679 5.7679 6.3982 6.3982 6.4356 6.4356 6.7045 6.7045 6.8689 6.8689 6.9608 6.9608 k = 0.0000 0.3224-0.0848 ( 16886 PWs) bands (ev): -10.7555 -10.7555 -10.6410 -10.6410 -10.1982 -10.1982 -10.0928 -10.0928 -9.7602 -9.7602 -9.5245 -9.5245 -9.4401 -9.4401 -9.3981 -9.3981 -9.3156 -9.3156 -9.3040 -9.3040 -9.1874 -9.1874 -9.1825 -9.1825 -3.0163 -3.0163 -2.9929 -2.9929 -2.9841 -2.9841 -2.9209 -2.9209 -1.3957 -1.3957 -1.2184 -1.2184 -1.1287 -1.1287 -0.9565 -0.9565 -0.9433 -0.9433 -0.8293 -0.8293 -0.5341 -0.5341 -0.4969 -0.4969 -0.4409 -0.4409 -0.3488 -0.3488 -0.2967 -0.2967 -0.1640 -0.1640 -0.1076 -0.1076 -0.0580 -0.0580 0.2659 0.2659 0.3769 0.3769 0.6741 0.6741 0.7158 0.7158 0.8282 0.8282 0.9237 0.9237 0.9875 0.9875 1.0406 1.0406 1.1398 1.1398 1.1955 1.1955 1.3105 1.3105 1.4183 1.4183 1.4314 1.4314 1.5611 1.5611 1.6165 1.6165 1.7155 1.7155 1.8281 1.8281 1.9657 1.9657 5.0631 5.0631 5.1489 5.1489 5.4985 5.4985 5.5189 5.5189 5.7685 5.7685 6.3989 6.3989 6.4318 6.4318 6.7038 6.7038 6.8642 6.8642 6.9683 6.9683 k = 0.0000 0.3283-0.0664 ( 16886 PWs) bands (ev): -10.7545 -10.7545 -10.6427 -10.6427 -10.1967 -10.1967 -10.0937 -10.0937 -9.7588 -9.7588 -9.5298 -9.5298 -9.4365 -9.4365 -9.3978 -9.3978 -9.3177 -9.3177 -9.2996 -9.2996 -9.1882 -9.1882 -9.1839 -9.1839 -3.0152 -3.0152 -2.9926 -2.9926 -2.9841 -2.9841 -2.9217 -2.9217 -1.3945 -1.3945 -1.2214 -1.2214 -1.1285 -1.1285 -0.9583 -0.9583 -0.9443 -0.9443 -0.8243 -0.8243 -0.5348 -0.5348 -0.4970 -0.4970 -0.4427 -0.4427 -0.3488 -0.3488 -0.2986 -0.2986 -0.1699 -0.1699 -0.0993 -0.0993 -0.0536 -0.0536 0.2658 0.2658 0.3765 0.3765 0.6660 0.6660 0.7143 0.7143 0.8279 0.8279 0.9150 0.9150 0.9882 0.9882 1.0478 1.0478 1.1370 1.1370 1.2041 1.2041 1.3124 1.3124 1.4104 1.4104 1.4361 1.4361 1.5673 1.5673 1.6140 1.6140 1.7189 1.7189 1.8282 1.8282 1.9640 1.9640 5.0634 5.0634 5.1467 5.1467 5.4954 5.4954 5.5343 5.5343 5.7700 5.7700 6.4008 6.4008 6.4207 6.4207 6.7017 6.7017 6.8535 6.8535 6.9869 6.9869 k = 0.0000 0.3343-0.0481 ( 16889 PWs) bands (ev): -10.7528 -10.7528 -10.6453 -10.6453 -10.1943 -10.1943 -10.0952 -10.0952 -9.7567 -9.7567 -9.5375 -9.5375 -9.4317 -9.4317 -9.3973 -9.3973 -9.3191 -9.3191 -9.2943 -9.2943 -9.1896 -9.1896 -9.1863 -9.1863 -3.0133 -3.0133 -2.9922 -2.9922 -2.9842 -2.9842 -2.9231 -2.9231 -1.3925 -1.3925 -1.2262 -1.2262 -1.1281 -1.1281 -0.9650 -0.9650 -0.9410 -0.9410 -0.8174 -0.8174 -0.5362 -0.5362 -0.4970 -0.4970 -0.4456 -0.4456 -0.3491 -0.3491 -0.3012 -0.3012 -0.1776 -0.1776 -0.0880 -0.0880 -0.0465 -0.0465 0.2657 0.2657 0.3755 0.3755 0.6546 0.6546 0.7110 0.7110 0.8262 0.8262 0.9023 0.9023 0.9910 0.9910 1.0561 1.0561 1.1357 1.1357 1.2152 1.2152 1.3156 1.3156 1.4025 1.4025 1.4398 1.4398 1.5753 1.5753 1.6115 1.6115 1.7240 1.7240 1.8287 1.8287 1.9612 1.9612 5.0638 5.0638 5.1433 5.1433 5.4958 5.4958 5.5542 5.5542 5.7722 5.7722 6.4006 6.4006 6.4062 6.4062 6.6986 6.6986 6.8415 6.8415 7.0078 7.0078 k = 0.0000 0.3403-0.0298 ( 16882 PWs) bands (ev): -10.7505 -10.7505 -10.6490 -10.6490 -10.1910 -10.1910 -10.0972 -10.0972 -9.7536 -9.7536 -9.5468 -9.5468 -9.4269 -9.4269 -9.3966 -9.3966 -9.3190 -9.3190 -9.2885 -9.2885 -9.1915 -9.1915 -9.1896 -9.1896 -3.0107 -3.0107 -2.9917 -2.9917 -2.9842 -2.9842 -2.9249 -2.9249 -1.3897 -1.3897 -1.2327 -1.2327 -1.1275 -1.1275 -0.9750 -0.9750 -0.9342 -0.9342 -0.8096 -0.8096 -0.5380 -0.5380 -0.4972 -0.4972 -0.4494 -0.4494 -0.3500 -0.3500 -0.3038 -0.3038 -0.1861 -0.1861 -0.0752 -0.0752 -0.0370 -0.0370 0.2658 0.2658 0.3740 0.3740 0.6415 0.6415 0.7058 0.7058 0.8218 0.8218 0.8877 0.8877 0.9956 0.9956 1.0639 1.0639 1.1372 1.1372 1.2272 1.2272 1.3205 1.3205 1.3952 1.3952 1.4423 1.4423 1.5811 1.5811 1.6119 1.6119 1.7304 1.7304 1.8299 1.8299 1.9573 1.9573 5.0643 5.0643 5.1387 5.1387 5.4998 5.4998 5.5781 5.5781 5.7747 5.7747 6.3772 6.3772 6.4100 6.4100 6.6948 6.6948 6.8306 6.8306 7.0049 7.0049 k = 0.0000 0.3463-0.0114 ( 16869 PWs) bands (ev): -10.7475 -10.7475 -10.6535 -10.6535 -10.1869 -10.1869 -10.0997 -10.0997 -9.7497 -9.7497 -9.5570 -9.5570 -9.4227 -9.4227 -9.3958 -9.3958 -9.3173 -9.3173 -9.2825 -9.2825 -9.1943 -9.1943 -9.1933 -9.1933 -3.0077 -3.0077 -2.9910 -2.9910 -2.9841 -2.9841 -2.9272 -2.9272 -1.3862 -1.3862 -1.2405 -1.2405 -1.1267 -1.1267 -0.9863 -0.9863 -0.9250 -0.9250 -0.8020 -0.8020 -0.5404 -0.5404 -0.4974 -0.4974 -0.4539 -0.4539 -0.3518 -0.3518 -0.3059 -0.3059 -0.1946 -0.1946 -0.0620 -0.0620 -0.0257 -0.0257 0.2665 0.2665 0.3718 0.3718 0.6280 0.6280 0.6992 0.6992 0.8136 0.8136 0.8727 0.8727 1.0014 1.0014 1.0711 1.0711 1.1413 1.1413 1.2393 1.2393 1.3269 1.3269 1.3893 1.3893 1.4438 1.4438 1.5810 1.5810 1.6182 1.6182 1.7377 1.7377 1.8324 1.8324 1.9524 1.9524 5.0647 5.0647 5.1332 5.1332 5.5069 5.5069 5.6058 5.6058 5.7771 5.7771 6.3469 6.3469 6.4168 6.4168 6.6910 6.6910 6.8217 6.8217 6.9722 6.9722 k = 0.0000 0.3522 0.0069 ( 16866 PWs) bands (ev): -10.7439 -10.7439 -10.6588 -10.6588 -10.1822 -10.1822 -10.1028 -10.1028 -9.7450 -9.7450 -9.5677 -9.5677 -9.4197 -9.4197 -9.3947 -9.3947 -9.3137 -9.3137 -9.2763 -9.2763 -9.1992 -9.1992 -9.1965 -9.1965 -3.0042 -3.0042 -2.9902 -2.9902 -2.9839 -2.9839 -2.9298 -2.9298 -1.3819 -1.3819 -1.2495 -1.2495 -1.1254 -1.1254 -0.9982 -0.9982 -0.9138 -0.9138 -0.7953 -0.7953 -0.5432 -0.5432 -0.4979 -0.4979 -0.4588 -0.4588 -0.3549 -0.3549 -0.3073 -0.3073 -0.2025 -0.2025 -0.0489 -0.0489 -0.0131 -0.0131 0.2677 0.2677 0.3687 0.3687 0.6153 0.6153 0.6915 0.6915 0.8014 0.8014 0.8584 0.8584 1.0082 1.0082 1.0773 1.0773 1.1471 1.1471 1.2513 1.2513 1.3341 1.3341 1.3857 1.3857 1.4441 1.4441 1.5764 1.5764 1.6280 1.6280 1.7459 1.7459 1.8364 1.8364 1.9466 1.9466 5.0650 5.0650 5.1271 5.1271 5.5169 5.5169 5.6371 5.6371 5.7787 5.7787 6.3117 6.3117 6.4257 6.4257 6.6876 6.6876 6.8149 6.8149 6.9318 6.9318 k = 0.0000 0.3582 0.0253 ( 16872 PWs) bands (ev): -10.7397 -10.7397 -10.6647 -10.6647 -10.1769 -10.1769 -10.1065 -10.1065 -9.7394 -9.7394 -9.5786 -9.5786 -9.4181 -9.4181 -9.3935 -9.3935 -9.3083 -9.3083 -9.2699 -9.2699 -9.2050 -9.2050 -9.1999 -9.1999 -3.0006 -3.0006 -2.9893 -2.9893 -2.9834 -2.9834 -2.9328 -2.9328 -1.3768 -1.3768 -1.2594 -1.2594 -1.1238 -1.1238 -1.0101 -1.0101 -0.9009 -0.9009 -0.7901 -0.7901 -0.5464 -0.5464 -0.4988 -0.4988 -0.4635 -0.4635 -0.3594 -0.3594 -0.3080 -0.3080 -0.2095 -0.2095 -0.0363 -0.0363 -0.0004 -0.0004 0.2694 0.2694 0.3651 0.3651 0.6044 0.6044 0.6831 0.6831 0.7859 0.7859 0.8451 0.8451 1.0156 1.0156 1.0819 1.0819 1.1543 1.1543 1.2629 1.2629 1.3412 1.3412 1.3853 1.3853 1.4434 1.4434 1.5698 1.5698 1.6382 1.6382 1.7551 1.7551 1.8423 1.8423 1.9401 1.9401 5.0651 5.0651 5.1207 5.1207 5.5293 5.5293 5.6712 5.6712 5.7790 5.7790 6.2725 6.2725 6.4369 6.4369 6.6855 6.6855 6.8101 6.8101 6.8890 6.8890 k = 0.0000 0.3642 0.0436 ( 16858 PWs) bands (ev): -10.7350 -10.7350 -10.6711 -10.6711 -10.1712 -10.1712 -10.1106 -10.1106 -9.7330 -9.7330 -9.5896 -9.5896 -9.4177 -9.4177 -9.3921 -9.3921 -9.3014 -9.3014 -9.2635 -9.2635 -9.2117 -9.2117 -9.2037 -9.2037 -2.9974 -2.9974 -2.9883 -2.9883 -2.9823 -2.9823 -2.9360 -2.9360 -1.3709 -1.3709 -1.2698 -1.2698 -1.1216 -1.1216 -1.0218 -1.0218 -0.8867 -0.8867 -0.7867 -0.7867 -0.5499 -0.5499 -0.5003 -0.5003 -0.4676 -0.4676 -0.3654 -0.3654 -0.3081 -0.3081 -0.2152 -0.2152 -0.0243 -0.0243 0.0115 0.0115 0.2712 0.2712 0.3617 0.3617 0.5961 0.5961 0.6741 0.6741 0.7686 0.7686 0.8328 0.8328 1.0235 1.0235 1.0839 1.0839 1.1627 1.1627 1.2739 1.2739 1.3474 1.3474 1.3883 1.3883 1.4420 1.4420 1.5619 1.5619 1.6478 1.6478 1.7648 1.7648 1.8497 1.8497 1.9331 1.9331 5.0648 5.0648 5.1143 5.1143 5.5436 5.5436 5.7072 5.7072 5.7779 5.7779 6.2303 6.2303 6.4507 6.4507 6.6850 6.6850 6.8056 6.8056 6.8470 6.8470 k = 0.0000 0.3702 0.0619 ( 16850 PWs) bands (ev): -10.7297 -10.7297 -10.6779 -10.6779 -10.1651 -10.1651 -10.1152 -10.1152 -9.7259 -9.7259 -9.6004 -9.6004 -9.4184 -9.4184 -9.3906 -9.3906 -9.2934 -9.2934 -9.2571 -9.2571 -9.2190 -9.2190 -9.2081 -9.2081 -2.9950 -2.9950 -2.9876 -2.9876 -2.9799 -2.9799 -2.9393 -2.9393 -1.3644 -1.3644 -1.2805 -1.2805 -1.1190 -1.1190 -1.0329 -1.0329 -0.8713 -0.8713 -0.7855 -0.7855 -0.5532 -0.5532 -0.5027 -0.5027 -0.4705 -0.4705 -0.3729 -0.3729 -0.3076 -0.3076 -0.2195 -0.2195 -0.0133 -0.0133 0.0220 0.0220 0.2719 0.2719 0.3597 0.3597 0.5909 0.5909 0.6644 0.6644 0.7511 0.7511 0.8216 0.8216 1.0313 1.0313 1.0831 1.0831 1.1717 1.1717 1.2838 1.2838 1.3528 1.3528 1.3936 1.3936 1.4412 1.4412 1.5529 1.5529 1.6568 1.6568 1.7747 1.7747 1.8581 1.8581 1.9264 1.9264 5.0641 5.0641 5.1082 5.1082 5.5594 5.5594 5.7400 5.7400 5.7794 5.7794 6.1858 6.1858 6.4674 6.4674 6.6868 6.6868 6.7881 6.7881 6.8191 6.8191 k = 0.5000 0.2626 0.2682 ( 16908 PWs) bands (ev): -10.6130 -10.6130 -10.6130 -10.6130 -10.2081 -10.2081 -10.2080 -10.2080 -9.5473 -9.5473 -9.5471 -9.5471 -9.4176 -9.4176 -9.4173 -9.4173 -9.3386 -9.3386 -9.3383 -9.3383 -9.2899 -9.2899 -9.2898 -9.2898 -3.0293 -3.0293 -3.0282 -3.0282 -2.9672 -2.9672 -2.9669 -2.9669 -1.5164 -1.5164 -1.5052 -1.5052 -1.2863 -1.2863 -1.2762 -1.2762 -1.1127 -1.1127 -1.1050 -1.1050 -0.5860 -0.5860 -0.5491 -0.5491 -0.4114 -0.4114 -0.3623 -0.3623 -0.1404 -0.1404 -0.1354 -0.1354 0.0513 0.0513 0.0762 0.0762 0.5553 0.5553 0.5634 0.5634 0.6736 0.6736 0.7225 0.7225 0.8209 0.8209 0.8713 0.8713 1.0237 1.0237 1.0439 1.0439 1.2097 1.2097 1.2887 1.2887 1.4234 1.4234 1.4425 1.4425 1.5295 1.5295 1.6287 1.6287 1.7324 1.7324 1.7965 1.7965 1.9196 1.9196 1.9784 1.9784 5.2385 5.2385 5.2453 5.2453 5.7567 5.7567 5.7582 5.7582 6.5213 6.5213 6.5267 6.5267 6.8572 6.8572 6.8584 6.8584 7.2343 7.2343 7.2390 7.2390 k = 0.5000 0.2438 0.2682 ( 16918 PWs) bands (ev): -10.6132 -10.6132 -10.6131 -10.6131 -10.2081 -10.2081 -10.2081 -10.2081 -9.5452 -9.5452 -9.5451 -9.5451 -9.4192 -9.4192 -9.4190 -9.4190 -9.3386 -9.3386 -9.3384 -9.3384 -9.2901 -9.2901 -9.2900 -9.2900 -3.0316 -3.0316 -3.0306 -3.0306 -2.9670 -2.9670 -2.9668 -2.9668 -1.5130 -1.5130 -1.5069 -1.5069 -1.2859 -1.2859 -1.2792 -1.2792 -1.1145 -1.1145 -1.1069 -1.1069 -0.5817 -0.5817 -0.5492 -0.5492 -0.4067 -0.4067 -0.3560 -0.3560 -0.1326 -0.1326 -0.1285 -0.1285 0.0533 0.0533 0.0812 0.0812 0.5494 0.5494 0.5629 0.5629 0.6754 0.6754 0.7132 0.7132 0.8299 0.8299 0.8675 0.8675 1.0291 1.0291 1.0471 1.0471 1.2043 1.2043 1.2761 1.2761 1.4141 1.4141 1.4451 1.4451 1.5335 1.5335 1.6250 1.6250 1.7270 1.7270 1.7954 1.7954 1.9151 1.9151 1.9729 1.9729 5.2414 5.2414 5.2467 5.2467 5.7673 5.7673 5.7676 5.7676 6.5225 6.5225 6.5266 6.5266 6.8625 6.8625 6.8631 6.8631 7.2327 7.2327 7.2366 7.2366 k = 0.5000 0.2251 0.2682 ( 16914 PWs) bands (ev): -10.6134 -10.6134 -10.6133 -10.6133 -10.2082 -10.2082 -10.2081 -10.2081 -9.5425 -9.5425 -9.5424 -9.5424 -9.4212 -9.4212 -9.4210 -9.4210 -9.3388 -9.3388 -9.3386 -9.3386 -9.2902 -9.2902 -9.2901 -9.2901 -3.0342 -3.0342 -3.0334 -3.0334 -2.9668 -2.9668 -2.9667 -2.9667 -1.5093 -1.5093 -1.5087 -1.5087 -1.2857 -1.2857 -1.2825 -1.2825 -1.1171 -1.1171 -1.1093 -1.1093 -0.5747 -0.5747 -0.5463 -0.5463 -0.4016 -0.4016 -0.3492 -0.3492 -0.1243 -0.1243 -0.1207 -0.1207 0.0550 0.0550 0.0848 0.0848 0.5425 0.5425 0.5618 0.5618 0.6780 0.6780 0.7042 0.7042 0.8389 0.8389 0.8622 0.8622 1.0352 1.0352 1.0504 1.0504 1.1974 1.1974 1.2620 1.2620 1.4050 1.4050 1.4474 1.4474 1.5389 1.5389 1.6205 1.6205 1.7216 1.7216 1.7936 1.7936 1.9111 1.9111 1.9670 1.9670 5.2435 5.2435 5.2469 5.2469 5.7785 5.7785 5.7793 5.7793 6.5228 6.5228 6.5254 6.5254 6.8687 6.8687 6.8688 6.8688 7.2286 7.2286 7.2323 7.2323 k = 0.5000 0.2063 0.2682 ( 16922 PWs) bands (ev): -10.6136 -10.6136 -10.6136 -10.6136 -10.2082 -10.2082 -10.2082 -10.2082 -9.5393 -9.5393 -9.5392 -9.5392 -9.4236 -9.4236 -9.4234 -9.4234 -9.3392 -9.3392 -9.3389 -9.3389 -9.2904 -9.2904 -9.2903 -9.2903 -3.0370 -3.0370 -3.0365 -3.0365 -2.9667 -2.9667 -2.9666 -2.9666 -1.5106 -1.5106 -1.5056 -1.5056 -1.2859 -1.2859 -1.2858 -1.2858 -1.1209 -1.1209 -1.1120 -1.1120 -0.5651 -0.5651 -0.5404 -0.5404 -0.3961 -0.3961 -0.3419 -0.3419 -0.1159 -0.1159 -0.1125 -0.1125 0.0567 0.0567 0.0869 0.0869 0.5346 0.5346 0.5600 0.5600 0.6814 0.6814 0.6969 0.6969 0.8472 0.8472 0.8563 0.8563 1.0414 1.0414 1.0529 1.0529 1.1891 1.1891 1.2470 1.2470 1.3968 1.3968 1.4497 1.4497 1.5448 1.5448 1.6151 1.6151 1.7164 1.7164 1.7913 1.7913 1.9075 1.9075 1.9607 1.9607 5.2448 5.2448 5.2461 5.2461 5.7904 5.7904 5.7924 5.7924 6.5224 6.5224 6.5234 6.5234 6.8753 6.8753 6.8756 6.8756 7.2218 7.2218 7.2260 7.2260 k = 0.5000 0.1876 0.2682 ( 16910 PWs) bands (ev): -10.6139 -10.6139 -10.6138 -10.6138 -10.2083 -10.2083 -10.2082 -10.2082 -9.5355 -9.5355 -9.5354 -9.5354 -9.4263 -9.4263 -9.4261 -9.4261 -9.3397 -9.3397 -9.3394 -9.3394 -9.2906 -9.2906 -9.2905 -9.2905 -3.0401 -3.0401 -3.0397 -3.0397 -2.9666 -2.9666 -2.9664 -2.9664 -1.5124 -1.5124 -1.5019 -1.5019 -1.2890 -1.2890 -1.2868 -1.2868 -1.1259 -1.1259 -1.1148 -1.1148 -0.5532 -0.5532 -0.5314 -0.5314 -0.3901 -0.3901 -0.3340 -0.3340 -0.1083 -0.1083 -0.1041 -0.1041 0.0586 0.0586 0.0872 0.0872 0.5257 0.5257 0.5570 0.5570 0.6852 0.6852 0.6923 0.6923 0.8508 0.8508 0.8544 0.8544 1.0471 1.0471 1.0539 1.0539 1.1799 1.1799 1.2321 1.2321 1.3900 1.3900 1.4523 1.4523 1.5505 1.5505 1.6083 1.6083 1.7118 1.7118 1.7890 1.7890 1.9043 1.9043 1.9541 1.9541 5.2446 5.2446 5.2453 5.2453 5.8030 5.8030 5.8061 5.8061 6.5206 6.5206 6.5213 6.5213 6.8824 6.8824 6.8828 6.8828 7.2127 7.2127 7.2174 7.2174 k = 0.5000 0.1688 0.2682 ( 16914 PWs) bands (ev): -10.6142 -10.6142 -10.6141 -10.6141 -10.2083 -10.2083 -10.2083 -10.2083 -9.5312 -9.5312 -9.5311 -9.5311 -9.4294 -9.4294 -9.4292 -9.4292 -9.3403 -9.3403 -9.3400 -9.3400 -9.2908 -9.2908 -9.2906 -9.2906 -3.0432 -3.0432 -3.0430 -3.0430 -2.9665 -2.9665 -2.9663 -2.9663 -1.5141 -1.5141 -1.4984 -1.4984 -1.2919 -1.2919 -1.2886 -1.2886 -1.1318 -1.1318 -1.1175 -1.1175 -0.5393 -0.5393 -0.5197 -0.5197 -0.3838 -0.3838 -0.3256 -0.3256 -0.1021 -0.1021 -0.0962 -0.0962 0.0609 0.0609 0.0857 0.0857 0.5159 0.5159 0.5527 0.5527 0.6891 0.6891 0.6910 0.6910 0.8463 0.8463 0.8601 0.8601 1.0518 1.0518 1.0529 1.0529 1.1701 1.1701 1.2178 1.2178 1.3852 1.3852 1.4556 1.4556 1.5553 1.5553 1.6001 1.6001 1.7081 1.7081 1.7869 1.7869 1.9014 1.9014 1.9472 1.9472 5.2426 5.2426 5.2454 5.2454 5.8160 5.8160 5.8200 5.8200 6.5173 6.5173 6.5197 6.5197 6.8897 6.8897 6.8901 6.8901 7.2019 7.2019 7.2067 7.2067 k = 0.5000 0.1501 0.2682 ( 16908 PWs) bands (ev): -10.6145 -10.6145 -10.6144 -10.6144 -10.2084 -10.2084 -10.2084 -10.2084 -9.5265 -9.5265 -9.5265 -9.5265 -9.4329 -9.4329 -9.4328 -9.4328 -9.3409 -9.3409 -9.3407 -9.3407 -9.2909 -9.2909 -9.2908 -9.2908 -3.0463 -3.0463 -3.0462 -3.0462 -2.9665 -2.9665 -2.9661 -2.9661 -1.5156 -1.5156 -1.4951 -1.4951 -1.2944 -1.2944 -1.2911 -1.2911 -1.1384 -1.1384 -1.1198 -1.1198 -0.5240 -0.5240 -0.5056 -0.5056 -0.3774 -0.3774 -0.3167 -0.3167 -0.0979 -0.0979 -0.0890 -0.0890 0.0641 0.0641 0.0825 0.0825 0.5051 0.5051 0.5472 0.5472 0.6927 0.6927 0.6933 0.6933 0.8437 0.8437 0.8640 0.8640 1.0493 1.0493 1.0551 1.0551 1.1603 1.1603 1.2049 1.2049 1.3831 1.3831 1.4598 1.4598 1.5586 1.5586 1.5902 1.5902 1.7055 1.7055 1.7853 1.7853 1.8987 1.8987 1.9402 1.9402 5.2403 5.2403 5.2451 5.2451 5.8288 5.8288 5.8337 5.8337 6.5139 6.5139 6.5179 6.5179 6.8972 6.8972 6.8973 6.8973 7.1905 7.1905 7.1947 7.1947 k = 0.5000 0.1313 0.2682 ( 16914 PWs) bands (ev): -10.6148 -10.6148 -10.6147 -10.6147 -10.2085 -10.2085 -10.2084 -10.2084 -9.5215 -9.5215 -9.5214 -9.5214 -9.4368 -9.4368 -9.4366 -9.4366 -9.3416 -9.3416 -9.3414 -9.3414 -9.2910 -9.2910 -9.2909 -9.2909 -3.0494 -3.0494 -3.0492 -3.0492 -2.9665 -2.9665 -2.9660 -2.9660 -1.5168 -1.5168 -1.4919 -1.4919 -1.2967 -1.2967 -1.2945 -1.2945 -1.1453 -1.1453 -1.1215 -1.1215 -0.5078 -0.5078 -0.4898 -0.4898 -0.3709 -0.3709 -0.3074 -0.3074 -0.0962 -0.0962 -0.0829 -0.0829 0.0684 0.0684 0.0778 0.0778 0.4936 0.4936 0.5408 0.5408 0.6957 0.6957 0.6992 0.6992 0.8433 0.8433 0.8658 0.8658 1.0430 1.0430 1.0568 1.0568 1.1508 1.1508 1.1936 1.1936 1.3839 1.3839 1.4651 1.4651 1.5600 1.5600 1.5787 1.5787 1.7043 1.7043 1.7842 1.7842 1.8962 1.8962 1.9331 1.9331 5.2378 5.2378 5.2447 5.2447 5.8411 5.8411 5.8467 5.8467 6.5104 6.5104 6.5160 6.5160 6.9039 6.9039 6.9043 6.9043 7.1795 7.1795 7.1823 7.1823 k = 0.5000 0.1125 0.2682 ( 16932 PWs) bands (ev): -10.6150 -10.6150 -10.6150 -10.6150 -10.2085 -10.2085 -10.2085 -10.2085 -9.5161 -9.5161 -9.5161 -9.5161 -9.4410 -9.4410 -9.4408 -9.4408 -9.3423 -9.3423 -9.3420 -9.3420 -9.2911 -9.2911 -9.2910 -9.2910 -3.0523 -3.0523 -3.0519 -3.0519 -2.9665 -2.9665 -2.9659 -2.9659 -1.5177 -1.5177 -1.4891 -1.4891 -1.2987 -1.2987 -1.2984 -1.2984 -1.1522 -1.1522 -1.1227 -1.1227 -0.4914 -0.4914 -0.4730 -0.4730 -0.3646 -0.3646 -0.2979 -0.2979 -0.0970 -0.0970 -0.0782 -0.0782 0.0722 0.0722 0.0737 0.0737 0.4816 0.4816 0.5340 0.5340 0.6979 0.6979 0.7082 0.7082 0.8456 0.8456 0.8652 0.8652 1.0344 1.0344 1.0571 1.0571 1.1421 1.1421 1.1842 1.1842 1.3880 1.3880 1.4713 1.4713 1.5595 1.5595 1.5656 1.5656 1.7043 1.7043 1.7837 1.7837 1.8937 1.8937 1.9261 1.9261 5.2355 5.2355 5.2441 5.2441 5.8526 5.8526 5.8588 5.8588 6.5072 6.5072 6.5141 6.5141 6.9098 6.9098 6.9110 6.9110 7.1695 7.1695 7.1704 7.1704 k = 0.5000 0.0938 0.2682 ( 16936 PWs) bands (ev): -10.6153 -10.6153 -10.6152 -10.6152 -10.2086 -10.2086 -10.2085 -10.2085 -9.5106 -9.5106 -9.5106 -9.5106 -9.4454 -9.4454 -9.4453 -9.4453 -9.3429 -9.3429 -9.3427 -9.3427 -9.2912 -9.2912 -9.2911 -9.2911 -3.0549 -3.0549 -3.0544 -3.0544 -2.9665 -2.9665 -2.9659 -2.9659 -1.5183 -1.5183 -1.4866 -1.4866 -1.3027 -1.3027 -1.3004 -1.3004 -1.1586 -1.1586 -1.1233 -1.1233 -0.4756 -0.4756 -0.4561 -0.4561 -0.3588 -0.3588 -0.2882 -0.2882 -0.1002 -0.1002 -0.0750 -0.0750 0.0661 0.0661 0.0797 0.0797 0.4695 0.4695 0.5274 0.5274 0.6994 0.6994 0.7198 0.7198 0.8502 0.8502 0.8618 0.8618 1.0239 1.0239 1.0565 1.0565 1.1341 1.1341 1.1766 1.1766 1.3952 1.3952 1.4784 1.4784 1.5511 1.5511 1.5572 1.5572 1.7053 1.7053 1.7836 1.7836 1.8915 1.8915 1.9194 1.9194 5.2333 5.2333 5.2436 5.2436 5.8629 5.8629 5.8697 5.8697 6.5043 6.5043 6.5124 6.5124 6.9148 6.9148 6.9168 6.9168 7.1597 7.1597 7.1609 7.1609 k = 0.5000 0.0750 0.2682 ( 16938 PWs) bands (ev): -10.6155 -10.6155 -10.6155 -10.6155 -10.2086 -10.2086 -10.2086 -10.2086 -9.5051 -9.5051 -9.5050 -9.5050 -9.4501 -9.4501 -9.4500 -9.4500 -9.3435 -9.3435 -9.3432 -9.3432 -9.2913 -9.2913 -9.2911 -9.2911 -3.0571 -3.0571 -3.0565 -3.0565 -2.9665 -2.9665 -2.9658 -2.9658 -1.5186 -1.5186 -1.4844 -1.4844 -1.3069 -1.3069 -1.3020 -1.3020 -1.1642 -1.1642 -1.1236 -1.1236 -0.4613 -0.4613 -0.4401 -0.4401 -0.3535 -0.3535 -0.2787 -0.2787 -0.1052 -0.1052 -0.0734 -0.0734 0.0603 0.0603 0.0861 0.0861 0.4581 0.4581 0.5214 0.5214 0.7002 0.7002 0.7332 0.7332 0.8557 0.8557 0.8567 0.8567 1.0124 1.0124 1.0556 1.0556 1.1270 1.1270 1.1707 1.1707 1.4053 1.4053 1.4861 1.4861 1.5353 1.5353 1.5532 1.5532 1.7071 1.7071 1.7840 1.7840 1.8895 1.8895 1.9134 1.9134 5.2314 5.2314 5.2432 5.2432 5.8717 5.8717 5.8789 5.8789 6.5019 6.5019 6.5110 6.5110 6.9188 6.9188 6.9217 6.9217 7.1504 7.1504 7.1540 7.1540 k = 0.5000 0.0563 0.2682 ( 16940 PWs) bands (ev): -10.6157 -10.6157 -10.6156 -10.6156 -10.2087 -10.2087 -10.2086 -10.2086 -9.4997 -9.4997 -9.4995 -9.4995 -9.4548 -9.4548 -9.4547 -9.4547 -9.3440 -9.3440 -9.3437 -9.3437 -9.2913 -9.2913 -9.2912 -9.2912 -3.0589 -3.0589 -3.0581 -3.0581 -2.9665 -2.9665 -2.9658 -2.9658 -1.5187 -1.5187 -1.4826 -1.4826 -1.3107 -1.3107 -1.3034 -1.3034 -1.1687 -1.1687 -1.1235 -1.1235 -0.4493 -0.4493 -0.4260 -0.4260 -0.3491 -0.3491 -0.2699 -0.2699 -0.1110 -0.1110 -0.0731 -0.0731 0.0552 0.0552 0.0920 0.0920 0.4480 0.4480 0.5164 0.5164 0.7005 0.7005 0.7477 0.7477 0.8471 0.8471 0.8644 0.8644 1.0008 1.0008 1.0548 1.0548 1.1209 1.1209 1.1662 1.1662 1.4180 1.4180 1.4942 1.4942 1.5186 1.5186 1.5480 1.5480 1.7090 1.7090 1.7845 1.7845 1.8877 1.8877 1.9082 1.9082 5.2299 5.2299 5.2428 5.2428 5.8788 5.8788 5.8864 5.8864 6.5000 6.5000 6.5098 6.5098 6.9218 6.9218 6.9255 6.9255 7.1430 7.1430 7.1488 7.1488 k = 0.5000 0.0375 0.2682 ( 16932 PWs) bands (ev): -10.6158 -10.6158 -10.6158 -10.6158 -10.2087 -10.2087 -10.2086 -10.2086 -9.4948 -9.4948 -9.4946 -9.4946 -9.4592 -9.4592 -9.4591 -9.4591 -9.3443 -9.3443 -9.3440 -9.3440 -9.2913 -9.2913 -9.2912 -9.2912 -3.0602 -3.0602 -3.0594 -3.0594 -2.9665 -2.9665 -2.9658 -2.9658 -1.5188 -1.5188 -1.4812 -1.4812 -1.3136 -1.3136 -1.3044 -1.3044 -1.1721 -1.1721 -1.1234 -1.1234 -0.4401 -0.4401 -0.4150 -0.4150 -0.3457 -0.3457 -0.2624 -0.2624 -0.1167 -0.1167 -0.0736 -0.0736 0.0514 0.0514 0.0969 0.0969 0.4400 0.4400 0.5127 0.5127 0.7007 0.7007 0.7624 0.7624 0.8368 0.8368 0.8718 0.8718 0.9906 0.9906 1.0544 1.0544 1.1162 1.1162 1.1631 1.1631 1.4326 1.4326 1.5012 1.5012 1.5022 1.5022 1.5421 1.5421 1.7108 1.7108 1.7850 1.7850 1.8864 1.8864 1.9042 1.9042 5.2288 5.2288 5.2426 5.2426 5.8840 5.8840 5.8919 5.8919 6.4986 6.4986 6.5090 6.5090 6.9238 6.9238 6.9282 6.9282 7.1375 7.1375 7.1452 7.1452 k = 0.5000 0.0188 0.2682 ( 16946 PWs) bands (ev): -10.6159 -10.6159 -10.6159 -10.6159 -10.2087 -10.2087 -10.2087 -10.2087 -9.4910 -9.4910 -9.4907 -9.4907 -9.4627 -9.4627 -9.4626 -9.4626 -9.3445 -9.3445 -9.3442 -9.3442 -9.2914 -9.2914 -9.2912 -9.2912 -3.0610 -3.0610 -3.0601 -3.0601 -2.9666 -2.9666 -2.9658 -2.9658 -1.5188 -1.5188 -1.4804 -1.4804 -1.3156 -1.3156 -1.3051 -1.3051 -1.1741 -1.1741 -1.1233 -1.1233 -0.4344 -0.4344 -0.4080 -0.4080 -0.3436 -0.3436 -0.2573 -0.2573 -0.1208 -0.1208 -0.0743 -0.0743 0.0490 0.0490 0.1001 0.1001 0.4348 0.4348 0.5103 0.5103 0.7007 0.7007 0.7752 0.7752 0.8265 0.8265 0.8775 0.8775 0.9832 0.9832 1.0542 1.0542 1.1132 1.1132 1.1612 1.1612 1.4487 1.4487 1.4836 1.4836 1.5090 1.5090 1.5365 1.5365 1.7120 1.7120 1.7854 1.7854 1.8855 1.8855 1.9017 1.9017 5.2282 5.2282 5.2424 5.2424 5.8872 5.8872 5.8952 5.8952 6.4978 6.4978 6.5085 6.5085 6.9250 6.9250 6.9298 6.9298 7.1342 7.1342 7.1432 7.1432 k = 0.5000-0.0000 0.2682 ( 16952 PWs) bands (ev): -10.6159 -10.6159 -10.6159 -10.6159 -10.2087 -10.2087 -10.2087 -10.2087 -9.4895 -9.4895 -9.4892 -9.4892 -9.4641 -9.4641 -9.4640 -9.4640 -9.3446 -9.3446 -9.3443 -9.3443 -9.2914 -9.2914 -9.2912 -9.2912 -3.0613 -3.0613 -3.0604 -3.0604 -2.9666 -2.9666 -2.9658 -2.9658 -1.5188 -1.5188 -1.4801 -1.4801 -1.3162 -1.3162 -1.3053 -1.3053 -1.1748 -1.1748 -1.1232 -1.1232 -0.4325 -0.4325 -0.4055 -0.4055 -0.3428 -0.3428 -0.2555 -0.2555 -0.1224 -0.1224 -0.0746 -0.0746 0.0482 0.0482 0.1012 0.1012 0.4330 0.4330 0.5096 0.5096 0.7007 0.7007 0.7813 0.7813 0.8213 0.8213 0.8797 0.8797 0.9805 0.9805 1.0542 1.0542 1.1121 1.1121 1.1606 1.1606 1.4638 1.4638 1.4679 1.4679 1.5122 1.5122 1.5337 1.5337 1.7125 1.7125 1.7855 1.7855 1.8852 1.8852 1.9008 1.9008 5.2279 5.2279 5.2424 5.2424 5.8882 5.8882 5.8963 5.8963 6.4976 6.4976 6.5084 6.5084 6.9254 6.9254 6.9304 6.9304 7.1331 7.1331 7.1425 7.1425 k = 0.5000-0.0000 0.2682 ( 16952 PWs) bands (ev): -10.6159 -10.6159 -10.6159 -10.6159 -10.2087 -10.2087 -10.2087 -10.2087 -9.4895 -9.4895 -9.4892 -9.4892 -9.4641 -9.4641 -9.4640 -9.4640 -9.3446 -9.3446 -9.3443 -9.3443 -9.2914 -9.2914 -9.2912 -9.2912 -3.0613 -3.0613 -3.0604 -3.0604 -2.9666 -2.9666 -2.9658 -2.9658 -1.5188 -1.5188 -1.4801 -1.4801 -1.3162 -1.3162 -1.3053 -1.3053 -1.1748 -1.1748 -1.1232 -1.1232 -0.4325 -0.4325 -0.4055 -0.4055 -0.3428 -0.3428 -0.2555 -0.2555 -0.1224 -0.1224 -0.0746 -0.0746 0.0482 0.0482 0.1012 0.1012 0.4330 0.4330 0.5096 0.5096 0.7007 0.7007 0.7813 0.7813 0.8213 0.8213 0.8797 0.8797 0.9805 0.9805 1.0542 1.0542 1.1121 1.1121 1.1606 1.1606 1.4638 1.4638 1.4679 1.4679 1.5122 1.5122 1.5337 1.5337 1.7125 1.7125 1.7855 1.7855 1.8852 1.8852 1.9008 1.9008 5.2279 5.2279 5.2424 5.2424 5.8882 5.8882 5.8963 5.8963 6.4976 6.4976 6.5084 6.5084 6.9254 6.9254 6.9304 6.9304 7.1331 7.1331 7.1425 7.1425 k = 0.5000-0.0000 0.2490 ( 16940 PWs) bands (ev): -10.6160 -10.6160 -10.6159 -10.6159 -10.2087 -10.2087 -10.2087 -10.2087 -9.4894 -9.4894 -9.4891 -9.4891 -9.4641 -9.4641 -9.4639 -9.4639 -9.3447 -9.3447 -9.3444 -9.3444 -9.2914 -9.2914 -9.2912 -9.2912 -3.0613 -3.0613 -3.0603 -3.0603 -2.9665 -2.9665 -2.9658 -2.9658 -1.5186 -1.5186 -1.4803 -1.4803 -1.3159 -1.3159 -1.3051 -1.3051 -1.1743 -1.1743 -1.1233 -1.1233 -0.4324 -0.4324 -0.4060 -0.4060 -0.3433 -0.3433 -0.2566 -0.2566 -0.1218 -0.1218 -0.0745 -0.0745 0.0469 0.0469 0.0986 0.0986 0.4352 0.4352 0.5109 0.5109 0.7005 0.7005 0.7768 0.7768 0.8244 0.8244 0.8788 0.8788 0.9797 0.9797 1.0531 1.0531 1.1140 1.1140 1.1635 1.1635 1.4534 1.4534 1.4788 1.4788 1.5022 1.5022 1.5421 1.5421 1.7127 1.7127 1.7847 1.7847 1.8875 1.8875 1.9026 1.9026 5.2267 5.2267 5.2411 5.2411 5.8876 5.8876 5.8956 5.8956 6.4969 6.4969 6.5077 6.5077 6.9250 6.9250 6.9297 6.9297 7.1315 7.1315 7.1406 7.1406 k = 0.5000-0.0000 0.2298 ( 16928 PWs) bands (ev): -10.6160 -10.6160 -10.6159 -10.6159 -10.2087 -10.2087 -10.2086 -10.2086 -9.4893 -9.4893 -9.4890 -9.4890 -9.4640 -9.4640 -9.4638 -9.4638 -9.3449 -9.3449 -9.3447 -9.3447 -9.2914 -9.2914 -9.2912 -9.2912 -3.0611 -3.0611 -3.0602 -3.0602 -2.9663 -2.9663 -2.9656 -2.9656 -1.5182 -1.5182 -1.4809 -1.4809 -1.3151 -1.3151 -1.3046 -1.3046 -1.1727 -1.1727 -1.1235 -1.1235 -0.4322 -0.4322 -0.4074 -0.4074 -0.3447 -0.3447 -0.2601 -0.2601 -0.1201 -0.1201 -0.0741 -0.0741 0.0432 0.0432 0.0912 0.0912 0.4414 0.4414 0.5148 0.5148 0.6999 0.6999 0.7662 0.7662 0.8310 0.8310 0.8762 0.8762 0.9778 0.9778 1.0502 1.0502 1.1192 1.1192 1.1719 1.1719 1.4420 1.4420 1.4855 1.4855 1.4913 1.4913 1.5542 1.5542 1.7137 1.7137 1.7825 1.7825 1.8940 1.8940 1.9077 1.9077 5.2232 5.2232 5.2372 5.2372 5.8856 5.8856 5.8935 5.8935 6.4949 6.4949 6.5057 6.5057 6.9236 6.9236 6.9278 6.9278 7.1269 7.1269 7.1350 7.1350 k = 0.5000-0.0000 0.2107 ( 16916 PWs) bands (ev): -10.6160 -10.6160 -10.6160 -10.6160 -10.2086 -10.2086 -10.2086 -10.2086 -9.4890 -9.4890 -9.4887 -9.4887 -9.4638 -9.4638 -9.4637 -9.4637 -9.3454 -9.3454 -9.3451 -9.3451 -9.2914 -9.2914 -9.2913 -9.2913 -3.0609 -3.0609 -3.0601 -3.0601 -2.9660 -2.9660 -2.9653 -2.9653 -1.5175 -1.5175 -1.4818 -1.4818 -1.3138 -1.3138 -1.3038 -1.3038 -1.1701 -1.1701 -1.1236 -1.1236 -0.4319 -0.4319 -0.4095 -0.4095 -0.3471 -0.3471 -0.2657 -0.2657 -0.1177 -0.1177 -0.0738 -0.0738 0.0379 0.0379 0.0804 0.0804 0.4506 0.4506 0.5208 0.5208 0.6988 0.6988 0.7530 0.7530 0.8377 0.8377 0.8721 0.8721 0.9755 0.9755 1.0460 1.0460 1.1271 1.1271 1.1846 1.1846 1.4317 1.4317 1.4680 1.4680 1.5033 1.5033 1.5636 1.5636 1.7162 1.7162 1.7798 1.7798 1.9038 1.9038 1.9158 1.9158 5.2174 5.2174 5.2310 5.2310 5.8823 5.8823 5.8901 5.8901 6.4916 6.4916 6.5024 6.5024 6.9216 6.9216 6.9248 6.9248 7.1199 7.1199 7.1267 7.1267 k = 0.5000-0.0000 0.1915 ( 16910 PWs) bands (ev): -10.6161 -10.6161 -10.6160 -10.6160 -10.2086 -10.2086 -10.2085 -10.2085 -9.4886 -9.4886 -9.4883 -9.4883 -9.4636 -9.4636 -9.4634 -9.4634 -9.3459 -9.3459 -9.3457 -9.3457 -9.2914 -9.2914 -9.2913 -9.2913 -3.0606 -3.0606 -3.0598 -3.0598 -2.9656 -2.9656 -2.9649 -2.9649 -1.5166 -1.5166 -1.4830 -1.4830 -1.3123 -1.3123 -1.3031 -1.3031 -1.1662 -1.1662 -1.1235 -1.1235 -0.4316 -0.4316 -0.4124 -0.4124 -0.3506 -0.3506 -0.2731 -0.2731 -0.1153 -0.1153 -0.0738 -0.0738 0.0320 0.0320 0.0680 0.0680 0.4617 0.4617 0.5282 0.5282 0.6972 0.6972 0.7389 0.7389 0.8432 0.8432 0.8672 0.8672 0.9734 0.9734 1.0414 1.0414 1.1369 1.1369 1.2001 1.2001 1.4229 1.4229 1.4511 1.4511 1.5141 1.5141 1.5691 1.5691 1.7207 1.7207 1.7775 1.7775 1.9158 1.9158 1.9261 1.9261 5.2097 5.2097 5.2228 5.2228 5.8780 5.8780 5.8855 5.8855 6.4873 6.4873 6.4980 6.4980 6.9190 6.9190 6.9211 6.9211 7.1111 7.1111 7.1164 7.1164 k = 0.5000-0.0000 0.1724 ( 16906 PWs) bands (ev): -10.6161 -10.6161 -10.6161 -10.6161 -10.2085 -10.2085 -10.2085 -10.2085 -9.4882 -9.4882 -9.4879 -9.4879 -9.4633 -9.4633 -9.4632 -9.4632 -9.3466 -9.3466 -9.3464 -9.3464 -9.2915 -9.2915 -9.2914 -9.2914 -3.0603 -3.0603 -3.0595 -3.0595 -2.9651 -2.9651 -2.9645 -2.9645 -1.5155 -1.5155 -1.4844 -1.4844 -1.3107 -1.3107 -1.3026 -1.3026 -1.1610 -1.1610 -1.1230 -1.1230 -0.4316 -0.4316 -0.4159 -0.4159 -0.3551 -0.3551 -0.2823 -0.2823 -0.1135 -0.1135 -0.0748 -0.0748 0.0265 0.0265 0.0560 0.0560 0.4734 0.4734 0.5363 0.5363 0.6952 0.6952 0.7247 0.7247 0.8471 0.8471 0.8617 0.8617 0.9720 0.9720 1.0364 1.0364 1.1482 1.1482 1.2169 1.2169 1.4156 1.4156 1.4354 1.4354 1.5235 1.5235 1.5705 1.5705 1.7274 1.7274 1.7760 1.7760 1.9293 1.9293 1.9381 1.9381 5.2006 5.2006 5.2128 5.2128 5.8729 5.8729 5.8800 5.8800 6.4821 6.4821 6.4926 6.4926 6.9161 6.9161 6.9171 6.9171 7.1010 7.1010 7.1050 7.1050 k = 0.5000-0.0000 0.1532 ( 16914 PWs) bands (ev): -10.6162 -10.6162 -10.6161 -10.6161 -10.2085 -10.2085 -10.2084 -10.2084 -9.4877 -9.4877 -9.4874 -9.4874 -9.4630 -9.4630 -9.4629 -9.4629 -9.3474 -9.3474 -9.3472 -9.3472 -9.2915 -9.2915 -9.2914 -9.2914 -3.0599 -3.0599 -3.0592 -3.0592 -2.9646 -2.9646 -2.9640 -2.9640 -1.5142 -1.5142 -1.4860 -1.4860 -1.3093 -1.3093 -1.3025 -1.3025 -1.1547 -1.1547 -1.1218 -1.1218 -0.4317 -0.4317 -0.4197 -0.4197 -0.3605 -0.3605 -0.2932 -0.2932 -0.1127 -0.1127 -0.0769 -0.0769 0.0225 0.0225 0.0457 0.0457 0.4850 0.4850 0.5442 0.5442 0.6928 0.6928 0.7112 0.7112 0.8492 0.8492 0.8563 0.8563 0.9715 0.9715 1.0315 1.0315 1.1605 1.1605 1.2337 1.2337 1.4098 1.4098 1.4217 1.4217 1.5310 1.5310 1.5684 1.5684 1.7358 1.7358 1.7756 1.7756 1.9436 1.9436 1.9509 1.9509 5.1903 5.1903 5.2017 5.2017 5.8671 5.8671 5.8737 5.8737 6.4763 6.4763 6.4865 6.4865 6.9130 6.9130 6.9132 6.9132 7.0904 7.0904 7.0931 7.0931 k = 0.5000-0.0000 0.1341 ( 16922 PWs) bands (ev): -10.6162 -10.6162 -10.6162 -10.6162 -10.2084 -10.2084 -10.2084 -10.2084 -9.4872 -9.4872 -9.4869 -9.4869 -9.4627 -9.4627 -9.4626 -9.4626 -9.3482 -9.3482 -9.3480 -9.3480 -9.2916 -9.2916 -9.2915 -9.2915 -3.0596 -3.0596 -3.0589 -3.0589 -2.9640 -2.9640 -2.9635 -2.9635 -1.5127 -1.5127 -1.4877 -1.4877 -1.3081 -1.3081 -1.3027 -1.3027 -1.1475 -1.1475 -1.1199 -1.1199 -0.4322 -0.4322 -0.4236 -0.4236 -0.3667 -0.3667 -0.3054 -0.3054 -0.1130 -0.1130 -0.0804 -0.0804 0.0205 0.0205 0.0382 0.0382 0.4958 0.4958 0.5511 0.5511 0.6902 0.6902 0.6989 0.6989 0.8498 0.8498 0.8513 0.8513 0.9719 0.9719 1.0266 1.0266 1.1734 1.1734 1.2489 1.2489 1.4055 1.4055 1.4105 1.4105 1.5366 1.5366 1.5640 1.5640 1.7450 1.7450 1.7764 1.7764 1.9579 1.9579 1.9641 1.9641 5.1796 5.1796 5.1899 5.1899 5.8610 5.8610 5.8671 5.8671 6.4703 6.4703 6.4798 6.4798 6.9093 6.9093 6.9104 6.9104 7.0796 7.0796 7.0813 7.0813 k = 0.5000-0.0000 0.1149 ( 16924 PWs) bands (ev): -10.6163 -10.6163 -10.6163 -10.6163 -10.2083 -10.2083 -10.2083 -10.2083 -9.4866 -9.4866 -9.4864 -9.4864 -9.4624 -9.4624 -9.4623 -9.4623 -9.3490 -9.3490 -9.3489 -9.3489 -9.2916 -9.2916 -9.2916 -9.2916 -3.0592 -3.0592 -3.0586 -3.0586 -2.9635 -2.9635 -2.9630 -2.9630 -1.5111 -1.5111 -1.4894 -1.4894 -1.3073 -1.3073 -1.3033 -1.3033 -1.1396 -1.1396 -1.1174 -1.1174 -0.4330 -0.4330 -0.4276 -0.4276 -0.3731 -0.3731 -0.3188 -0.3188 -0.1141 -0.1141 -0.0850 -0.0850 0.0205 0.0205 0.0336 0.0336 0.5056 0.5056 0.5565 0.5565 0.6874 0.6874 0.6886 0.6886 0.8470 0.8470 0.8491 0.8491 0.9733 0.9733 1.0217 1.0217 1.1867 1.1867 1.2614 1.2614 1.4023 1.4023 1.4026 1.4026 1.5403 1.5403 1.5582 1.5582 1.7542 1.7542 1.7781 1.7781 1.9717 1.9717 1.9769 1.9769 5.1688 5.1688 5.1779 5.1779 5.8549 5.8549 5.8604 5.8604 6.4644 6.4644 6.4731 6.4731 6.9062 6.9062 6.9080 6.9080 7.0691 7.0691 7.0700 7.0700 k = 0.5000-0.0000 0.0958 ( 16922 PWs) bands (ev): -10.6164 -10.6164 -10.6163 -10.6163 -10.2083 -10.2083 -10.2082 -10.2082 -9.4861 -9.4861 -9.4859 -9.4859 -9.4621 -9.4621 -9.4620 -9.4620 -9.3498 -9.3498 -9.3497 -9.3497 -9.2917 -9.2917 -9.2916 -9.2916 -3.0588 -3.0588 -3.0583 -3.0583 -2.9629 -2.9629 -2.9625 -2.9625 -1.5094 -1.5094 -1.4912 -1.4912 -1.3068 -1.3068 -1.3041 -1.3041 -1.1316 -1.1316 -1.1144 -1.1144 -0.4340 -0.4340 -0.4312 -0.4312 -0.3793 -0.3793 -0.3329 -0.3329 -0.1156 -0.1156 -0.0902 -0.0902 0.0220 0.0220 0.0316 0.0316 0.5141 0.5141 0.5596 0.5596 0.6806 0.6806 0.6847 0.6847 0.8434 0.8434 0.8474 0.8474 0.9754 0.9754 1.0170 1.0170 1.2000 1.2000 1.2699 1.2699 1.3976 1.3976 1.4008 1.4008 1.5424 1.5424 1.5522 1.5522 1.7628 1.7628 1.7803 1.7803 1.9845 1.9845 1.9888 1.9888 5.1587 5.1587 5.1665 5.1665 5.8491 5.8491 5.8539 5.8539 6.4589 6.4589 6.4665 6.4665 6.9038 6.9038 6.9060 6.9060 7.0592 7.0592 7.0596 7.0596 k = 0.5000-0.0000 0.0766 ( 16926 PWs) bands (ev): -10.6164 -10.6164 -10.6164 -10.6164 -10.2082 -10.2082 -10.2082 -10.2082 -9.4856 -9.4856 -9.4855 -9.4855 -9.4618 -9.4618 -9.4617 -9.4617 -9.3505 -9.3505 -9.3504 -9.3504 -9.2918 -9.2918 -9.2917 -9.2917 -3.0585 -3.0585 -3.0581 -3.0581 -2.9624 -2.9624 -2.9621 -2.9621 -1.5076 -1.5076 -1.4930 -1.4930 -1.3067 -1.3067 -1.3049 -1.3049 -1.1239 -1.1239 -1.1112 -1.1112 -0.4352 -0.4352 -0.4344 -0.4344 -0.3847 -0.3847 -0.3470 -0.3470 -0.1167 -0.1167 -0.0956 -0.0956 0.0244 0.0244 0.0312 0.0312 0.5216 0.5216 0.5602 0.5602 0.6754 0.6754 0.6821 0.6821 0.8406 0.8406 0.8452 0.8452 0.9782 0.9782 1.0122 1.0122 1.2129 1.2129 1.2740 1.2740 1.3960 1.3960 1.3999 1.3999 1.5430 1.5430 1.5466 1.5466 1.7704 1.7704 1.7827 1.7827 1.9958 1.9958 1.9992 1.9992 5.1497 5.1497 5.1561 5.1561 5.8440 5.8440 5.8479 5.8479 6.4541 6.4541 6.4604 6.4604 6.9021 6.9021 6.9044 6.9044 7.0504 7.0504 7.0504 7.0504 k = 0.5000-0.0000 0.0575 ( 16916 PWs) bands (ev): -10.6165 -10.6165 -10.6164 -10.6164 -10.2082 -10.2082 -10.2081 -10.2081 -9.4852 -9.4852 -9.4851 -9.4851 -9.4615 -9.4615 -9.4615 -9.4615 -9.3511 -9.3511 -9.3510 -9.3510 -9.2918 -9.2918 -9.2918 -9.2918 -3.0582 -3.0582 -3.0579 -3.0579 -2.9620 -2.9620 -2.9617 -2.9617 -1.5059 -1.5059 -1.4949 -1.4949 -1.3068 -1.3068 -1.3057 -1.3057 -1.1171 -1.1171 -1.1083 -1.1083 -0.4368 -0.4368 -0.4364 -0.4364 -0.3888 -0.3888 -0.3603 -0.3603 -0.1172 -0.1172 -0.1007 -0.1007 0.0270 0.0270 0.0317 0.0317 0.5282 0.5282 0.5586 0.5586 0.6726 0.6726 0.6798 0.6798 0.8386 0.8386 0.8428 0.8428 0.9815 0.9815 1.0075 1.0075 1.2253 1.2253 1.2738 1.2738 1.3967 1.3967 1.3997 1.3997 1.5423 1.5423 1.5425 1.5425 1.7766 1.7766 1.7848 1.7848 2.0052 2.0052 2.0078 2.0078 5.1423 5.1423 5.1472 5.1472 5.8398 5.8398 5.8428 5.8428 6.4503 6.4503 6.4552 6.4552 6.9012 6.9012 6.9032 6.9032 7.0429 7.0429 7.0430 7.0430 k = 0.5000-0.0000 0.0383 ( 16920 PWs) bands (ev): -10.6165 -10.6165 -10.6165 -10.6165 -10.2081 -10.2081 -10.2081 -10.2081 -9.4849 -9.4849 -9.4848 -9.4848 -9.4614 -9.4614 -9.4613 -9.4613 -9.3515 -9.3515 -9.3515 -9.3515 -9.2918 -9.2918 -9.2918 -9.2918 -3.0579 -3.0579 -3.0577 -3.0577 -2.9616 -2.9616 -2.9614 -2.9614 -1.5041 -1.5041 -1.4967 -1.4967 -1.3069 -1.3069 -1.3063 -1.3063 -1.1116 -1.1116 -1.1061 -1.1061 -0.4384 -0.4384 -0.4375 -0.4375 -0.3909 -0.3909 -0.3718 -0.3718 -0.1167 -0.1167 -0.1054 -0.1054 0.0295 0.0295 0.0325 0.0325 0.5343 0.5343 0.5551 0.5551 0.6719 0.6719 0.6776 0.6776 0.8374 0.8374 0.8406 0.8406 0.9853 0.9853 1.0029 1.0029 1.2368 1.2368 1.2704 1.2704 1.3982 1.3982 1.4000 1.4000 1.5395 1.5395 1.5413 1.5413 1.7814 1.7814 1.7864 1.7864 2.0124 2.0124 2.0141 2.0141 5.1370 5.1370 5.1403 5.1403 5.8367 5.8367 5.8388 5.8388 6.4477 6.4477 6.4510 6.4510 6.9008 6.9008 6.9023 6.9023 7.0373 7.0373 7.0375 7.0375 k = 0.5000-0.0000 0.0192 ( 16916 PWs) bands (ev): -10.6165 -10.6165 -10.6165 -10.6165 -10.2081 -10.2081 -10.2081 -10.2081 -9.4847 -9.4847 -9.4847 -9.4847 -9.4613 -9.4613 -9.4612 -9.4612 -9.3518 -9.3518 -9.3518 -9.3518 -9.2919 -9.2919 -9.2918 -9.2918 -3.0578 -3.0578 -3.0577 -3.0577 -2.9614 -2.9614 -2.9613 -2.9613 -1.5022 -1.5022 -1.4986 -1.4986 -1.3070 -1.3070 -1.3068 -1.3068 -1.1077 -1.1077 -1.1051 -1.1051 -0.4391 -0.4391 -0.4384 -0.4384 -0.3905 -0.3905 -0.3810 -0.3810 -0.1152 -0.1152 -0.1095 -0.1095 0.0314 0.0314 0.0328 0.0328 0.5400 0.5400 0.5506 0.5506 0.6725 0.6725 0.6756 0.6756 0.8371 0.8371 0.8388 0.8388 0.9894 0.9894 0.9983 0.9983 1.2473 1.2473 1.2644 1.2644 1.3996 1.3996 1.4003 1.4003 1.5384 1.5384 1.5398 1.5398 1.7846 1.7846 1.7870 1.7870 2.0169 2.0169 2.0178 2.0178 5.1340 5.1340 5.1356 5.1356 5.8350 5.8350 5.8361 5.8361 6.4464 6.4464 6.4481 6.4481 6.9008 6.9008 6.9016 6.9016 7.0338 7.0338 7.0339 7.0339 k = 0.5000-0.0000-0.0000 ( 16922 PWs) bands (ev): -10.6165 -10.6165 -10.6165 -10.6165 -10.2081 -10.2081 -10.2080 -10.2080 -9.4846 -9.4846 -9.4846 -9.4846 -9.4612 -9.4612 -9.4612 -9.4612 -9.3519 -9.3519 -9.3519 -9.3519 -9.2919 -9.2919 -9.2918 -9.2918 -3.0577 -3.0577 -3.0577 -3.0577 -2.9613 -2.9613 -2.9613 -2.9613 -1.5005 -1.5005 -1.5004 -1.5004 -1.3070 -1.3070 -1.3070 -1.3070 -1.1055 -1.1055 -1.1055 -1.1055 -0.4390 -0.4390 -0.4390 -0.4390 -0.3873 -0.3873 -0.3873 -0.3873 -0.1128 -0.1128 -0.1127 -0.1127 0.0325 0.0325 0.0325 0.0325 0.5454 0.5454 0.5454 0.5454 0.6738 0.6738 0.6738 0.6738 0.8376 0.8376 0.8376 0.8376 0.9938 0.9938 0.9938 0.9938 1.2566 1.2566 1.2566 1.2566 1.4003 1.4003 1.4003 1.4003 1.5386 1.5386 1.5386 1.5386 1.7865 1.7865 1.7865 1.7865 2.0187 2.0187 2.0188 2.0188 5.1335 5.1335 5.1335 5.1335 5.8348 5.8348 5.8348 5.8348 6.4465 6.4465 6.4465 6.4465 6.9011 6.9011 6.9011 6.9011 7.0327 7.0327 7.0327 7.0327 k = 0.0000 0.0000 0.2682 ( 16882 PWs) bands (ev): -10.7116 -10.7116 -10.7116 -10.7116 -10.1386 -10.1386 -10.1386 -10.1386 -9.5951 -9.5951 -9.5951 -9.5951 -9.4732 -9.4732 -9.4732 -9.4732 -9.2526 -9.2526 -9.2526 -9.2526 -9.2322 -9.2322 -9.2321 -9.2321 -2.9963 -2.9963 -2.9962 -2.9962 -2.9348 -2.9348 -2.9347 -2.9347 -1.3466 -1.3466 -1.3465 -1.3465 -1.0602 -1.0602 -1.0602 -1.0602 -0.8673 -0.8673 -0.8673 -0.8673 -0.5775 -0.5775 -0.5775 -0.5775 -0.4333 -0.4333 -0.4333 -0.4333 -0.2212 -0.2212 -0.2212 -0.2212 0.0318 0.0318 0.0319 0.0319 0.4355 0.4355 0.4355 0.4355 0.6363 0.6363 0.6363 0.6363 0.8143 0.8143 0.8143 0.8143 0.9441 0.9441 0.9441 0.9441 1.2271 1.2271 1.2271 1.2271 1.3539 1.3539 1.3539 1.3539 1.5118 1.5118 1.5118 1.5118 1.6503 1.6503 1.6503 1.6503 1.8997 1.8997 1.8997 1.8997 5.1884 5.1884 5.1885 5.1885 5.6511 5.6511 5.6512 5.6512 6.0266 6.0266 6.0267 6.0267 6.6786 6.6786 6.6786 6.6786 6.7939 6.7939 6.7939 6.7939 k = 0.0192-0.0000 0.2682 ( 16880 PWs) bands (ev): -10.7113 -10.7113 -10.7113 -10.7113 -10.1388 -10.1388 -10.1388 -10.1388 -9.5949 -9.5949 -9.5948 -9.5948 -9.4731 -9.4731 -9.4731 -9.4731 -9.2527 -9.2527 -9.2527 -9.2527 -9.2325 -9.2325 -9.2325 -9.2325 -2.9965 -2.9965 -2.9960 -2.9960 -2.9354 -2.9354 -2.9349 -2.9349 -1.3476 -1.3476 -1.3471 -1.3471 -1.0618 -1.0618 -1.0609 -1.0609 -0.8725 -0.8725 -0.8661 -0.8661 -0.5771 -0.5771 -0.5755 -0.5755 -0.4362 -0.4362 -0.4289 -0.4289 -0.2205 -0.2205 -0.2193 -0.2193 0.0309 0.0309 0.0336 0.0336 0.4344 0.4344 0.4366 0.4366 0.6298 0.6298 0.6431 0.6431 0.8055 0.8055 0.8221 0.8221 0.9411 0.9411 0.9478 0.9478 1.2224 1.2224 1.2305 1.2305 1.3530 1.3530 1.3534 1.3534 1.5110 1.5110 1.5162 1.5162 1.6414 1.6414 1.6586 1.6586 1.8875 1.8875 1.9133 1.9133 5.1872 5.1872 5.1891 5.1891 5.6515 5.6515 5.6518 5.6518 6.0267 6.0267 6.0292 6.0292 6.6779 6.6779 6.6790 6.6790 6.7931 6.7931 6.7960 6.7960 k = 0.0385-0.0000 0.2682 ( 16876 PWs) bands (ev): -10.7104 -10.7104 -10.7104 -10.7104 -10.1394 -10.1394 -10.1394 -10.1394 -9.5942 -9.5942 -9.5941 -9.5941 -9.4728 -9.4728 -9.4728 -9.4728 -9.2531 -9.2531 -9.2531 -9.2531 -9.2335 -9.2335 -9.2335 -9.2335 -2.9966 -2.9966 -2.9956 -2.9956 -2.9368 -2.9368 -2.9358 -2.9358 -1.3501 -1.3501 -1.3491 -1.3491 -1.0654 -1.0654 -1.0637 -1.0637 -0.8814 -0.8814 -0.8689 -0.8689 -0.5745 -0.5745 -0.5709 -0.5709 -0.4376 -0.4376 -0.4231 -0.4231 -0.2171 -0.2171 -0.2147 -0.2147 0.0306 0.0306 0.0361 0.0361 0.4335 0.4335 0.4375 0.4375 0.6240 0.6240 0.6497 0.6497 0.7964 0.7964 0.8287 0.8287 0.9387 0.9387 0.9527 0.9527 1.2166 1.2166 1.2322 1.2322 1.3514 1.3514 1.3518 1.3518 1.5135 1.5135 1.5242 1.5242 1.6329 1.6329 1.6654 1.6654 1.8773 1.8773 1.9277 1.9277 5.1855 5.1855 5.1891 5.1891 5.6531 5.6531 5.6537 5.6537 6.0295 6.0295 6.0343 6.0343 6.6770 6.6770 6.6791 6.6791 6.7936 6.7936 6.7994 6.7994 k = 0.0577-0.0000 0.2682 ( 16870 PWs) bands (ev): -10.7090 -10.7090 -10.7089 -10.7089 -10.1404 -10.1404 -10.1404 -10.1404 -9.5930 -9.5930 -9.5930 -9.5930 -9.4723 -9.4723 -9.4723 -9.4723 -9.2538 -9.2538 -9.2537 -9.2537 -9.2351 -9.2351 -9.2351 -9.2351 -2.9967 -2.9967 -2.9951 -2.9951 -2.9389 -2.9389 -2.9375 -2.9375 -1.3539 -1.3539 -1.3527 -1.3527 -1.0710 -1.0710 -1.0686 -1.0686 -0.8935 -0.8935 -0.8755 -0.8755 -0.5703 -0.5703 -0.5638 -0.5638 -0.4376 -0.4376 -0.4160 -0.4160 -0.2113 -0.2113 -0.2078 -0.2078 0.0312 0.0312 0.0392 0.0392 0.4329 0.4329 0.4381 0.4381 0.6190 0.6190 0.6551 0.6551 0.7878 0.7878 0.8342 0.8342 0.9364 0.9364 0.9589 0.9589 1.2099 1.2099 1.2319 1.2319 1.3493 1.3493 1.3498 1.3498 1.5181 1.5181 1.5349 1.5349 1.6259 1.6259 1.6698 1.6698 1.8698 1.8698 1.9424 1.9424 5.1835 5.1835 5.1887 5.1887 5.6557 5.6557 5.6567 5.6567 6.0349 6.0349 6.0419 6.0419 6.6761 6.6761 6.6790 6.6790 6.7955 6.7955 6.8043 6.8043 k = 0.0769-0.0000 0.2682 ( 16878 PWs) bands (ev): -10.7069 -10.7069 -10.7069 -10.7069 -10.1418 -10.1418 -10.1418 -10.1418 -9.5914 -9.5914 -9.5913 -9.5913 -9.4716 -9.4716 -9.4716 -9.4716 -9.2547 -9.2547 -9.2547 -9.2547 -9.2374 -9.2374 -9.2373 -9.2373 -2.9968 -2.9968 -2.9946 -2.9946 -2.9418 -2.9418 -2.9398 -2.9398 -1.3590 -1.3590 -1.3577 -1.3577 -1.0785 -1.0785 -1.0755 -1.0755 -0.9081 -0.9081 -0.8855 -0.8855 -0.5648 -0.5648 -0.5543 -0.5543 -0.4363 -0.4363 -0.4079 -0.4079 -0.2032 -0.2032 -0.1985 -0.1985 0.0322 0.0322 0.0427 0.0427 0.4327 0.4327 0.4380 0.4380 0.6150 0.6150 0.6583 0.6583 0.7809 0.7809 0.8391 0.8391 0.9345 0.9345 0.9665 0.9665 1.2025 1.2025 1.2291 1.2291 1.3463 1.3463 1.3495 1.3495 1.5231 1.5231 1.5476 1.5476 1.6214 1.6214 1.6713 1.6713 1.8652 1.8652 1.9569 1.9569 5.1812 5.1812 5.1879 5.1879 5.6594 5.6594 5.6608 5.6608 6.0429 6.0429 6.0519 6.0519 6.6754 6.6754 6.6788 6.6788 6.7990 6.7990 6.8106 6.8106 k = 0.0962-0.0000 0.2682 ( 16874 PWs) bands (ev): -10.7043 -10.7043 -10.7043 -10.7043 -10.1436 -10.1436 -10.1435 -10.1435 -9.5893 -9.5893 -9.5893 -9.5893 -9.4708 -9.4708 -9.4708 -9.4708 -9.2560 -9.2560 -9.2559 -9.2559 -9.2402 -9.2402 -9.2402 -9.2402 -2.9970 -2.9970 -2.9941 -2.9941 -2.9452 -2.9452 -2.9427 -2.9427 -1.3650 -1.3650 -1.3641 -1.3641 -1.0876 -1.0876 -1.0842 -1.0842 -0.9246 -0.9246 -0.8982 -0.8982 -0.5584 -0.5584 -0.5430 -0.5430 -0.4338 -0.4338 -0.3992 -0.3992 -0.1931 -0.1931 -0.1873 -0.1873 0.0337 0.0337 0.0465 0.0465 0.4329 0.4329 0.4373 0.4373 0.6119 0.6119 0.6578 0.6578 0.7772 0.7772 0.8440 0.8440 0.9329 0.9329 0.9754 0.9754 1.1947 1.1947 1.2238 1.2238 1.3435 1.3435 1.3509 1.3509 1.5270 1.5270 1.5613 1.5613 1.6208 1.6208 1.6699 1.6699 1.8636 1.8636 1.9709 1.9709 5.1790 5.1790 5.1868 5.1868 5.6643 5.6643 5.6660 5.6660 6.0535 6.0535 6.0641 6.0641 6.6753 6.6753 6.6790 6.6790 6.8041 6.8041 6.8185 6.8185 k = 0.1154-0.0000 0.2682 ( 16874 PWs) bands (ev): -10.7012 -10.7012 -10.7012 -10.7012 -10.1457 -10.1457 -10.1457 -10.1457 -9.5868 -9.5868 -9.5868 -9.5868 -9.4698 -9.4698 -9.4698 -9.4698 -9.2575 -9.2575 -9.2575 -9.2575 -9.2436 -9.2436 -9.2435 -9.2435 -2.9972 -2.9972 -2.9937 -2.9937 -2.9492 -2.9492 -2.9460 -2.9460 -1.3719 -1.3719 -1.3715 -1.3715 -1.0982 -1.0982 -1.0945 -1.0945 -0.9427 -0.9427 -0.9131 -0.9131 -0.5512 -0.5512 -0.5303 -0.5303 -0.4301 -0.4301 -0.3901 -0.3901 -0.1814 -0.1814 -0.1743 -0.1743 0.0352 0.0352 0.0503 0.0503 0.4336 0.4336 0.4360 0.4360 0.6097 0.6097 0.6528 0.6528 0.7776 0.7776 0.8495 0.8495 0.9321 0.9321 0.9852 0.9852 1.1868 1.1868 1.2161 1.2161 1.3408 1.3408 1.3545 1.3545 1.5285 1.5285 1.5751 1.5751 1.6246 1.6246 1.6658 1.6658 1.8645 1.8645 1.9839 1.9839 5.1769 5.1769 5.1856 5.1856 5.6703 5.6703 5.6723 5.6723 6.0666 6.0666 6.0786 6.0786 6.6761 6.6761 6.6798 6.6798 6.8109 6.8109 6.8280 6.8280 k = 0.1346-0.0000 0.2682 ( 16874 PWs) bands (ev): -10.6976 -10.6976 -10.6976 -10.6976 -10.1482 -10.1482 -10.1482 -10.1482 -9.5839 -9.5839 -9.5838 -9.5838 -9.4687 -9.4687 -9.4686 -9.4686 -9.2595 -9.2595 -9.2594 -9.2594 -9.2473 -9.2473 -9.2472 -9.2472 -2.9977 -2.9977 -2.9934 -2.9934 -2.9536 -2.9536 -2.9497 -2.9497 -1.3800 -1.3800 -1.3794 -1.3794 -1.1098 -1.1098 -1.1062 -1.1062 -0.9617 -0.9617 -0.9295 -0.9295 -0.5434 -0.5434 -0.5165 -0.5165 -0.4254 -0.4254 -0.3812 -0.3812 -0.1686 -0.1686 -0.1599 -0.1599 0.0364 0.0364 0.0539 0.0539 0.4343 0.4343 0.4346 0.4346 0.6083 0.6083 0.6438 0.6438 0.7819 0.7819 0.8563 0.8563 0.9323 0.9323 0.9955 0.9955 1.1792 1.1792 1.2063 1.2063 1.3386 1.3386 1.3599 1.3599 1.5277 1.5277 1.5879 1.5879 1.6326 1.6326 1.6604 1.6604 1.8671 1.8671 1.9957 1.9957 5.1752 5.1752 5.1846 5.1846 5.6774 5.6774 5.6798 5.6798 6.0821 6.0821 6.0951 6.0951 6.6782 6.6782 6.6816 6.6816 6.8193 6.8193 6.8390 6.8390 k = 0.1538-0.0000 0.2682 ( 16892 PWs) bands (ev): -10.6936 -10.6936 -10.6935 -10.6935 -10.1510 -10.1510 -10.1510 -10.1510 -9.5806 -9.5806 -9.5804 -9.5804 -9.4674 -9.4674 -9.4674 -9.4674 -9.2619 -9.2619 -9.2619 -9.2619 -9.2512 -9.2512 -9.2511 -9.2511 -2.9985 -2.9985 -2.9935 -2.9935 -2.9580 -2.9580 -2.9534 -2.9534 -1.3893 -1.3893 -1.3874 -1.3874 -1.1225 -1.1225 -1.1191 -1.1191 -0.9812 -0.9812 -0.9470 -0.9470 -0.5350 -0.5350 -0.5021 -0.5021 -0.4197 -0.4197 -0.3727 -0.3727 -0.1550 -0.1550 -0.1444 -0.1444 0.0371 0.0371 0.0572 0.0572 0.4326 0.4326 0.4361 0.4361 0.6079 0.6079 0.6317 0.6317 0.7888 0.7888 0.8645 0.8645 0.9339 0.9339 1.0060 1.0060 1.1721 1.1721 1.1949 1.1949 1.3369 1.3369 1.3668 1.3668 1.5253 1.5253 1.5979 1.5979 1.6436 1.6436 1.6555 1.6555 1.8705 1.8705 2.0060 2.0060 5.1741 5.1741 5.1840 5.1840 5.6857 5.6857 5.6883 5.6883 6.0999 6.0999 6.1137 6.1137 6.6821 6.6821 6.6850 6.6850 6.8294 6.8294 6.8514 6.8514 k = 0.1731-0.0000 0.2682 ( 16906 PWs) bands (ev): -10.6891 -10.6891 -10.6890 -10.6890 -10.1542 -10.1542 -10.1541 -10.1541 -9.5768 -9.5768 -9.5767 -9.5767 -9.4660 -9.4660 -9.4660 -9.4660 -9.2651 -9.2651 -9.2650 -9.2650 -9.2551 -9.2551 -9.2549 -9.2549 -2.9998 -2.9998 -2.9942 -2.9942 -2.9623 -2.9623 -2.9571 -2.9571 -1.3991 -1.3991 -1.3956 -1.3956 -1.1358 -1.1358 -1.1328 -1.1328 -1.0009 -1.0009 -0.9648 -0.9648 -0.5263 -0.5263 -0.4875 -0.4875 -0.4131 -0.4131 -0.3650 -0.3650 -0.1413 -0.1413 -0.1283 -0.1283 0.0368 0.0368 0.0598 0.0598 0.4314 0.4314 0.4379 0.4379 0.6085 0.6085 0.6183 0.6183 0.7972 0.7972 0.8741 0.8741 0.9372 0.9372 1.0162 1.0162 1.1658 1.1658 1.1823 1.1823 1.3358 1.3358 1.3746 1.3746 1.5224 1.5224 1.6026 1.6026 1.6541 1.6541 1.6564 1.6564 1.8740 1.8740 2.0145 2.0145 5.1737 5.1737 5.1838 5.1838 5.6951 5.6951 5.6979 5.6979 6.1200 6.1200 6.1342 6.1342 6.6880 6.6880 6.6901 6.6901 6.8410 6.8410 6.8650 6.8650 k = 0.1923-0.0000 0.2682 ( 16890 PWs) bands (ev): -10.6842 -10.6842 -10.6842 -10.6842 -10.1576 -10.1576 -10.1576 -10.1576 -9.5727 -9.5727 -9.5725 -9.5725 -9.4645 -9.4645 -9.4645 -9.4645 -9.2692 -9.2692 -9.2691 -9.2691 -9.2587 -9.2587 -9.2585 -9.2585 -3.0018 -3.0018 -2.9958 -2.9958 -2.9660 -2.9660 -2.9603 -2.9603 -1.4094 -1.4094 -1.4039 -1.4039 -1.1496 -1.1496 -1.1473 -1.1473 -1.0203 -1.0203 -0.9828 -0.9828 -0.5172 -0.5172 -0.4732 -0.4732 -0.4055 -0.4055 -0.3583 -0.3583 -0.1277 -0.1277 -0.1120 -0.1120 0.0354 0.0354 0.0616 0.0616 0.4311 0.4311 0.4401 0.4401 0.6048 0.6048 0.6102 0.6102 0.8059 0.8059 0.8849 0.8849 0.9421 0.9421 1.0258 1.0258 1.1607 1.1607 1.1691 1.1691 1.3354 1.3354 1.3829 1.3829 1.5197 1.5197 1.6005 1.6005 1.6580 1.6580 1.6703 1.6703 1.8768 1.8768 2.0211 2.0211 5.1741 5.1741 5.1844 5.1844 5.7055 5.7055 5.7085 5.7085 6.1422 6.1422 6.1564 6.1564 6.6961 6.6961 6.6974 6.6974 6.8541 6.8541 6.8798 6.8798 k = 0.2115-0.0000 0.2682 ( 16892 PWs) bands (ev): -10.6790 -10.6790 -10.6790 -10.6790 -10.1613 -10.1613 -10.1613 -10.1613 -9.5682 -9.5682 -9.5680 -9.5680 -9.4630 -9.4630 -9.4630 -9.4630 -9.2741 -9.2741 -9.2740 -9.2740 -9.2619 -9.2619 -9.2617 -9.2617 -3.0047 -3.0047 -2.9985 -2.9985 -2.9687 -2.9687 -2.9631 -2.9631 -1.4198 -1.4198 -1.4122 -1.4122 -1.1637 -1.1637 -1.1622 -1.1622 -1.0393 -1.0393 -1.0004 -1.0004 -0.5079 -0.5079 -0.4594 -0.4594 -0.3970 -0.3970 -0.3527 -0.3527 -0.1148 -0.1148 -0.0963 -0.0963 0.0330 0.0330 0.0625 0.0625 0.4323 0.4323 0.4426 0.4426 0.5923 0.5923 0.6132 0.6132 0.8143 0.8143 0.8962 0.8962 0.9485 0.9485 1.0347 1.0347 1.1557 1.1557 1.1569 1.1569 1.3359 1.3359 1.3911 1.3911 1.5179 1.5179 1.5936 1.5936 1.6654 1.6654 1.6844 1.6844 1.8785 1.8785 2.0257 2.0257 5.1754 5.1754 5.1857 5.1857 5.7170 5.7170 5.7201 5.7201 6.1663 6.1663 6.1805 6.1805 6.7066 6.7066 6.7068 6.7068 6.8684 6.8684 6.8957 6.8957 k = 0.2308-0.0000 0.2682 ( 16886 PWs) bands (ev): -10.6736 -10.6736 -10.6736 -10.6736 -10.1652 -10.1652 -10.1652 -10.1652 -9.5633 -9.5633 -9.5631 -9.5631 -9.4615 -9.4615 -9.4615 -9.4615 -9.2797 -9.2797 -9.2796 -9.2796 -9.2648 -9.2648 -9.2646 -9.2646 -3.0083 -3.0083 -3.0025 -3.0025 -2.9704 -2.9704 -2.9651 -2.9651 -1.4304 -1.4304 -1.4202 -1.4202 -1.1779 -1.1779 -1.1774 -1.1774 -1.0574 -1.0574 -1.0173 -1.0173 -0.4985 -0.4985 -0.4466 -0.4466 -0.3876 -0.3876 -0.3483 -0.3483 -0.1028 -0.1028 -0.0821 -0.0821 0.0301 0.0301 0.0623 0.0623 0.4351 0.4351 0.4451 0.4451 0.5819 0.5819 0.6177 0.6177 0.8219 0.8219 0.9074 0.9074 0.9557 0.9557 1.0427 1.0427 1.1428 1.1428 1.1541 1.1541 1.3375 1.3375 1.3987 1.3987 1.5173 1.5173 1.5846 1.5846 1.6738 1.6738 1.6986 1.6986 1.8788 1.8788 2.0281 2.0281 5.1774 5.1774 5.1878 5.1878 5.7294 5.7294 5.7326 5.7326 6.1922 6.1922 6.2061 6.2061 6.7184 6.7184 6.7194 6.7194 6.8841 6.8841 6.9124 6.9124 k = 0.2500-0.0000 0.2682 ( 16886 PWs) bands (ev): -10.6680 -10.6680 -10.6679 -10.6679 -10.1693 -10.1693 -10.1692 -10.1692 -9.5581 -9.5581 -9.5580 -9.5580 -9.4600 -9.4600 -9.4600 -9.4600 -9.2858 -9.2858 -9.2857 -9.2857 -9.2676 -9.2676 -9.2674 -9.2674 -3.0127 -3.0127 -3.0075 -3.0075 -2.9712 -2.9712 -2.9665 -2.9665 -1.4408 -1.4408 -1.4280 -1.4280 -1.1927 -1.1927 -1.1920 -1.1920 -1.0745 -1.0745 -1.0332 -1.0332 -0.4891 -0.4891 -0.4352 -0.4352 -0.3772 -0.3772 -0.3451 -0.3451 -0.0920 -0.0920 -0.0704 -0.0704 0.0278 0.0278 0.0611 0.0611 0.4396 0.4396 0.4474 0.4474 0.5744 0.5744 0.6239 0.6239 0.8287 0.8287 0.9176 0.9176 0.9628 0.9628 1.0500 1.0500 1.1311 1.1311 1.1523 1.1523 1.3405 1.3405 1.4054 1.4054 1.5181 1.5181 1.5750 1.5750 1.6820 1.6820 1.7125 1.7125 1.8775 1.8775 2.0284 2.0284 5.1803 5.1803 5.1908 5.1908 5.7427 5.7427 5.7460 5.7460 6.2196 6.2196 6.2331 6.2331 6.7321 6.7321 6.7343 6.7343 6.9008 6.9008 6.9301 6.9301 k = 0.2692-0.0000 0.2682 ( 16900 PWs) bands (ev): -10.6623 -10.6623 -10.6622 -10.6622 -10.1735 -10.1735 -10.1734 -10.1734 -9.5527 -9.5527 -9.5525 -9.5525 -9.4586 -9.4586 -9.4586 -9.4586 -9.2921 -9.2921 -9.2921 -9.2921 -9.2702 -9.2702 -9.2701 -9.2701 -3.0177 -3.0177 -3.0132 -3.0132 -2.9714 -2.9714 -2.9673 -2.9673 -1.4510 -1.4510 -1.4354 -1.4354 -1.2078 -1.2078 -1.2060 -1.2060 -1.0904 -1.0904 -1.0480 -1.0480 -0.4797 -0.4797 -0.4254 -0.4254 -0.3660 -0.3660 -0.3431 -0.3431 -0.0827 -0.0827 -0.0629 -0.0629 0.0275 0.0275 0.0591 0.0591 0.4458 0.4458 0.4491 0.4491 0.5707 0.5707 0.6318 0.6318 0.8347 0.8347 0.9262 0.9262 0.9684 0.9684 1.0569 1.0569 1.1216 1.1216 1.1510 1.1510 1.3451 1.3451 1.4110 1.4110 1.5203 1.5203 1.5658 1.5658 1.6892 1.6892 1.7262 1.7262 1.8745 1.8745 2.0266 2.0266 5.1839 5.1839 5.1945 5.1945 5.7567 5.7567 5.7602 5.7602 6.2483 6.2483 6.2612 6.2612 6.7477 6.7477 6.7511 6.7511 6.9187 6.9187 6.9486 6.9486 k = 0.2885-0.0000 0.2682 ( 16888 PWs) bands (ev): -10.6565 -10.6565 -10.6564 -10.6564 -10.1777 -10.1777 -10.1777 -10.1777 -9.5470 -9.5470 -9.5468 -9.5468 -9.4573 -9.4573 -9.4573 -9.4573 -9.2986 -9.2986 -9.2986 -9.2986 -9.2729 -9.2729 -9.2727 -9.2727 -3.0230 -3.0230 -3.0192 -3.0192 -2.9711 -2.9711 -2.9677 -2.9677 -1.4607 -1.4607 -1.4423 -1.4423 -1.2226 -1.2226 -1.2196 -1.2196 -1.1050 -1.1050 -1.0615 -1.0615 -0.4707 -0.4707 -0.4174 -0.4174 -0.3541 -0.3541 -0.3422 -0.3422 -0.0752 -0.0752 -0.0607 -0.0607 0.0306 0.0306 0.0565 0.0565 0.4497 0.4497 0.4531 0.4531 0.5711 0.5711 0.6417 0.6417 0.8400 0.8400 0.9327 0.9327 0.9715 0.9715 1.0633 1.0633 1.1151 1.1151 1.1499 1.1499 1.3514 1.3514 1.4157 1.4157 1.5236 1.5236 1.5574 1.5574 1.6953 1.6953 1.7395 1.7395 1.8699 1.8699 2.0227 2.0227 5.1881 5.1881 5.1989 5.1989 5.7713 5.7713 5.7750 5.7750 6.2778 6.2778 6.2901 6.2901 6.7649 6.7649 6.7695 6.7695 6.9376 6.9376 6.9678 6.9678 k = 0.3077-0.0000 0.2682 ( 16912 PWs) bands (ev): -10.6507 -10.6507 -10.6507 -10.6507 -10.1820 -10.1820 -10.1820 -10.1820 -9.5411 -9.5411 -9.5408 -9.5408 -9.4562 -9.4562 -9.4562 -9.4562 -9.3051 -9.3051 -9.3050 -9.3050 -9.2755 -9.2755 -9.2753 -9.2753 -3.0284 -3.0284 -3.0252 -3.0252 -2.9706 -2.9706 -2.9678 -2.9678 -1.4700 -1.4700 -1.4488 -1.4488 -1.2369 -1.2369 -1.2327 -1.2327 -1.1181 -1.1181 -1.0735 -1.0735 -0.4621 -0.4621 -0.4111 -0.4111 -0.3422 -0.3422 -0.3417 -0.3417 -0.0694 -0.0694 -0.0634 -0.0634 0.0370 0.0370 0.0536 0.0536 0.4493 0.4493 0.4612 0.4612 0.5756 0.5756 0.6536 0.6536 0.8444 0.8444 0.9367 0.9367 0.9712 0.9712 1.0690 1.0690 1.1119 1.1119 1.1490 1.1490 1.3595 1.3595 1.4197 1.4197 1.5275 1.5275 1.5499 1.5499 1.7000 1.7000 1.7526 1.7526 1.8637 1.8637 2.0170 2.0170 5.1927 5.1927 5.2038 5.2038 5.7862 5.7862 5.7902 5.7902 6.3076 6.3076 6.3195 6.3195 6.7834 6.7834 6.7890 6.7890 6.9576 6.9576 6.9878 6.9878 k = 0.3269-0.0000 0.2682 ( 16914 PWs) bands (ev): -10.6451 -10.6451 -10.6451 -10.6451 -10.1862 -10.1862 -10.1862 -10.1862 -9.5350 -9.5350 -9.5347 -9.5347 -9.4554 -9.4554 -9.4554 -9.4554 -9.3115 -9.3115 -9.3114 -9.3114 -9.2780 -9.2780 -9.2778 -9.2778 -3.0338 -3.0338 -3.0311 -3.0311 -2.9701 -2.9701 -2.9677 -2.9677 -1.4787 -1.4787 -1.4546 -1.4546 -1.2506 -1.2506 -1.2452 -1.2452 -1.1298 -1.1298 -1.0841 -1.0841 -0.4543 -0.4543 -0.4066 -0.4066 -0.3428 -0.3428 -0.3292 -0.3292 -0.0696 -0.0696 -0.0655 -0.0655 0.0457 0.0457 0.0510 0.0510 0.4478 0.4478 0.4695 0.4695 0.5838 0.5838 0.6675 0.6675 0.8475 0.8475 0.9384 0.9384 0.9683 0.9683 1.0734 1.0734 1.1117 1.1117 1.1485 1.1485 1.3693 1.3693 1.4235 1.4235 1.5316 1.5316 1.5436 1.5436 1.7036 1.7036 1.7656 1.7656 1.8561 1.8561 2.0095 2.0095 5.1977 5.1977 5.2090 5.2090 5.8013 5.8013 5.8057 5.8057 6.3373 6.3373 6.3487 6.3487 6.8027 6.8027 6.8090 6.8090 6.9784 6.9784 7.0083 7.0083 k = 0.3462-0.0000 0.2682 ( 16926 PWs) bands (ev): -10.6398 -10.6398 -10.6397 -10.6397 -10.1903 -10.1903 -10.1902 -10.1902 -9.5287 -9.5287 -9.5285 -9.5285 -9.4550 -9.4550 -9.4549 -9.4549 -9.3176 -9.3176 -9.3175 -9.3175 -9.2804 -9.2804 -9.2803 -9.2803 -3.0389 -3.0389 -3.0366 -3.0366 -2.9694 -2.9694 -2.9674 -2.9674 -1.4867 -1.4867 -1.4599 -1.4599 -1.2633 -1.2633 -1.2568 -1.2568 -1.1399 -1.1399 -1.0932 -1.0932 -0.4474 -0.4474 -0.4036 -0.4036 -0.3439 -0.3439 -0.3168 -0.3168 -0.0777 -0.0777 -0.0635 -0.0635 0.0488 0.0488 0.0554 0.0554 0.4457 0.4457 0.4776 0.4776 0.5950 0.5950 0.6834 0.6834 0.8487 0.8487 0.9379 0.9379 0.9643 0.9643 1.0757 1.0757 1.1133 1.1133 1.1487 1.1487 1.3805 1.3805 1.4274 1.4274 1.5352 1.5352 1.5385 1.5385 1.7061 1.7061 1.7786 1.7786 1.8473 1.8473 2.0004 2.0004 5.2028 5.2028 5.2145 5.2145 5.8162 5.8162 5.8210 5.8210 6.3663 6.3663 6.3772 6.3772 6.8224 6.8224 6.8292 6.8292 6.9999 6.9999 7.0290 7.0290 k = 0.3654-0.0000 0.2682 ( 16934 PWs) bands (ev): -10.6347 -10.6347 -10.6347 -10.6347 -10.1941 -10.1941 -10.1941 -10.1941 -9.5225 -9.5225 -9.5222 -9.5222 -9.4549 -9.4549 -9.4548 -9.4548 -9.3234 -9.3234 -9.3233 -9.3233 -9.2827 -9.2827 -9.2825 -9.2825 -3.0438 -3.0438 -3.0418 -3.0418 -2.9688 -2.9688 -2.9672 -2.9672 -1.4940 -1.4940 -1.4647 -1.4647 -1.2750 -1.2750 -1.2675 -1.2675 -1.1486 -1.1486 -1.1010 -1.1010 -0.4418 -0.4418 -0.4020 -0.4020 -0.3449 -0.3449 -0.3048 -0.3048 -0.0864 -0.0864 -0.0630 -0.0630 0.0474 0.0474 0.0649 0.0649 0.4434 0.4434 0.4850 0.4850 0.6085 0.6085 0.7011 0.7011 0.8469 0.8469 0.9353 0.9353 0.9610 0.9610 1.0755 1.0755 1.1154 1.1154 1.1500 1.1500 1.3929 1.3929 1.4318 1.4318 1.5344 1.5344 1.5379 1.5379 1.7077 1.7077 1.7918 1.7918 1.8378 1.8378 1.9900 1.9900 5.2078 5.2078 5.2199 5.2199 5.8307 5.8307 5.8360 5.8360 6.3938 6.3938 6.4045 6.4045 6.8420 6.8420 6.8490 6.8490 7.0218 7.0218 7.0497 7.0497 k = 0.3846-0.0000 0.2682 ( 16932 PWs) bands (ev): -10.6301 -10.6301 -10.6301 -10.6301 -10.1977 -10.1977 -10.1976 -10.1976 -9.5162 -9.5162 -9.5159 -9.5159 -9.4553 -9.4553 -9.4552 -9.4552 -9.3287 -9.3287 -9.3285 -9.3285 -9.2848 -9.2848 -9.2847 -9.2847 -3.0482 -3.0482 -3.0465 -3.0465 -2.9683 -2.9683 -2.9669 -2.9669 -1.5004 -1.5004 -1.4688 -1.4688 -1.2855 -1.2855 -1.2771 -1.2771 -1.1560 -1.1560 -1.1074 -1.1074 -0.4375 -0.4375 -0.4015 -0.4015 -0.3455 -0.3455 -0.2934 -0.2934 -0.0949 -0.0949 -0.0640 -0.0640 0.0466 0.0466 0.0739 0.0739 0.4410 0.4410 0.4916 0.4916 0.6234 0.6234 0.7202 0.7202 0.8416 0.8416 0.9308 0.9308 0.9600 0.9600 1.0731 1.0731 1.1171 1.1171 1.1520 1.1520 1.4061 1.4061 1.4367 1.4367 1.5309 1.5309 1.5396 1.5396 1.7086 1.7086 1.8052 1.8052 1.8277 1.8277 1.9783 1.9783 5.2125 5.2125 5.2251 5.2251 5.8443 5.8443 5.8501 5.8501 6.4192 6.4192 6.4298 6.4298 6.8608 6.8608 6.8678 6.8678 7.0439 7.0439 7.0699 7.0699 k = 0.4038-0.0000 0.2682 ( 16934 PWs) bands (ev): -10.6260 -10.6260 -10.6260 -10.6260 -10.2009 -10.2009 -10.2008 -10.2008 -9.5100 -9.5100 -9.5098 -9.5098 -9.4563 -9.4563 -9.4562 -9.4562 -9.3333 -9.3333 -9.3331 -9.3331 -9.2867 -9.2867 -9.2865 -9.2865 -3.0520 -3.0520 -3.0506 -3.0506 -2.9678 -2.9678 -2.9666 -2.9666 -1.5059 -1.5059 -1.4722 -1.4722 -1.2946 -1.2946 -1.2855 -1.2855 -1.1620 -1.1620 -1.1125 -1.1125 -0.4346 -0.4346 -0.4018 -0.4018 -0.3457 -0.3457 -0.2829 -0.2829 -0.1027 -0.1027 -0.0658 -0.0658 0.0465 0.0465 0.0819 0.0819 0.4387 0.4387 0.4972 0.4972 0.6393 0.6393 0.7403 0.7403 0.8327 0.8327 0.9243 0.9243 0.9618 0.9618 1.0692 1.0692 1.1178 1.1178 1.1543 1.1543 1.4196 1.4196 1.4423 1.4423 1.5278 1.5278 1.5400 1.5400 1.7093 1.7093 1.8175 1.8175 1.8190 1.8190 1.9657 1.9657 5.2169 5.2169 5.2300 5.2300 5.8566 5.8566 5.8630 5.8630 6.4419 6.4419 6.4524 6.4524 6.8784 6.8784 6.8851 6.8851 7.0654 7.0654 7.0890 7.0890 k = 0.4231-0.0000 0.2682 ( 16936 PWs) bands (ev): -10.6225 -10.6225 -10.6225 -10.6225 -10.2036 -10.2036 -10.2035 -10.2035 -9.5041 -9.5041 -9.5039 -9.5039 -9.4578 -9.4578 -9.4576 -9.4576 -9.3373 -9.3373 -9.3371 -9.3371 -9.2883 -9.2883 -9.2882 -9.2882 -3.0553 -3.0553 -3.0541 -3.0541 -2.9673 -2.9673 -2.9663 -2.9663 -1.5105 -1.5105 -1.4751 -1.4751 -1.3022 -1.3022 -1.2925 -1.2925 -1.1667 -1.1667 -1.1165 -1.1165 -0.4330 -0.4330 -0.4026 -0.4026 -0.3453 -0.3453 -0.2737 -0.2737 -0.1095 -0.1095 -0.0682 -0.0682 0.0468 0.0468 0.0887 0.0887 0.4368 0.4368 0.5018 0.5018 0.6554 0.6554 0.7608 0.7608 0.8212 0.8212 0.9160 0.9160 0.9658 0.9658 1.0647 1.0647 1.1173 1.1173 1.1565 1.1565 1.4330 1.4330 1.4482 1.4482 1.5247 1.5247 1.5393 1.5393 1.7099 1.7099 1.8077 1.8077 1.8330 1.8330 1.9523 1.9523 5.2207 5.2207 5.2342 5.2342 5.8674 5.8674 5.8744 5.8744 6.4613 6.4613 6.4718 6.4718 6.8940 6.8940 6.9003 6.9003 7.0858 7.0858 7.1064 7.1064 k = 0.4423-0.0000 0.2682 ( 16934 PWs) bands (ev): -10.6197 -10.6197 -10.6196 -10.6196 -10.2058 -10.2058 -10.2057 -10.2057 -9.4987 -9.4987 -9.4984 -9.4984 -9.4596 -9.4596 -9.4595 -9.4595 -9.3404 -9.3404 -9.3402 -9.3402 -9.2896 -9.2896 -9.2895 -9.2895 -3.0579 -3.0579 -3.0568 -3.0568 -2.9670 -2.9670 -2.9661 -2.9661 -1.5141 -1.5141 -1.4773 -1.4773 -1.3083 -1.3083 -1.2980 -1.2980 -1.1703 -1.1703 -1.1196 -1.1196 -0.4324 -0.4324 -0.4037 -0.4037 -0.3446 -0.3446 -0.2661 -0.2661 -0.1150 -0.1150 -0.0706 -0.0706 0.0472 0.0472 0.0941 0.0941 0.4352 0.4352 0.5052 0.5052 0.6712 0.6712 0.7811 0.7811 0.8082 0.8082 0.9059 0.9059 0.9708 0.9708 1.0605 1.0605 1.1159 1.1159 1.1583 1.1583 1.4456 1.4456 1.4540 1.4540 1.5211 1.5211 1.5378 1.5378 1.7106 1.7106 1.7989 1.7989 1.8474 1.8474 1.9383 1.9383 5.2238 5.2238 5.2377 5.2377 5.8763 5.8763 5.8837 5.8837 6.4769 6.4769 6.4875 6.4875 6.9072 6.9072 6.9130 6.9130 7.1041 7.1041 7.1212 7.1212 k = 0.4615-0.0000 0.2682 ( 16950 PWs) bands (ev): -10.6176 -10.6176 -10.6176 -10.6176 -10.2074 -10.2074 -10.2073 -10.2073 -9.4940 -9.4940 -9.4938 -9.4938 -9.4617 -9.4617 -9.4615 -9.4615 -9.3427 -9.3427 -9.3425 -9.3425 -9.2906 -9.2906 -9.2904 -9.2904 -3.0598 -3.0598 -3.0588 -3.0588 -2.9668 -2.9668 -2.9659 -2.9659 -1.5167 -1.5167 -1.4789 -1.4789 -1.3127 -1.3127 -1.3021 -1.3021 -1.1728 -1.1728 -1.1216 -1.1216 -0.4323 -0.4323 -0.4046 -0.4046 -0.3437 -0.3437 -0.2603 -0.2603 -0.1191 -0.1191 -0.0727 -0.0727 0.0477 0.0477 0.0980 0.0980 0.4340 0.4340 0.5077 0.5077 0.6855 0.6855 0.7954 0.7954 0.7999 0.7999 0.8948 0.8948 0.9757 0.9757 1.0571 1.0571 1.1141 1.1141 1.1596 1.1596 1.4567 1.4567 1.4590 1.4590 1.5172 1.5172 1.5359 1.5359 1.7115 1.7115 1.7918 1.7918 1.8619 1.8619 1.9240 1.9240 5.2261 5.2261 5.2402 5.2402 5.8828 5.8828 5.8906 5.8906 6.4883 6.4883 6.4990 6.4990 6.9171 6.9171 6.9225 6.9225 7.1192 7.1192 7.1327 7.1327 k = 0.4808-0.0000 0.2682 ( 16938 PWs) bands (ev): -10.6164 -10.6164 -10.6163 -10.6163 -10.2084 -10.2084 -10.2083 -10.2083 -9.4907 -9.4907 -9.4904 -9.4904 -9.4634 -9.4634 -9.4632 -9.4632 -9.3441 -9.3441 -9.3438 -9.3438 -9.2912 -9.2912 -9.2910 -9.2910 -3.0609 -3.0609 -3.0600 -3.0600 -2.9666 -2.9666 -2.9658 -2.9658 -1.5182 -1.5182 -1.4798 -1.4798 -1.3153 -1.3153 -1.3045 -1.3045 -1.1743 -1.1743 -1.1228 -1.1228 -0.4324 -0.4324 -0.4053 -0.4053 -0.3431 -0.3431 -0.2567 -0.2567 -0.1216 -0.1216 -0.0741 -0.0741 0.0481 0.0481 0.1004 0.1004 0.4333 0.4333 0.5091 0.5091 0.6964 0.6964 0.7853 0.7853 0.8149 0.8149 0.8845 0.8845 0.9792 0.9792 1.0550 1.0550 1.1127 1.1127 1.1603 1.1603 1.4626 1.4626 1.4648 1.4648 1.5137 1.5137 1.5343 1.5343 1.7122 1.7122 1.7871 1.7871 1.8760 1.8760 1.9100 1.9100 5.2275 5.2275 5.2418 5.2418 5.8869 5.8869 5.8949 5.8949 6.4952 6.4952 6.5060 6.5060 6.9233 6.9233 6.9284 6.9284 7.1294 7.1294 7.1400 7.1400 k = 0.5000-0.0000 0.2682 ( 16952 PWs) bands (ev): -10.6159 -10.6159 -10.6159 -10.6159 -10.2087 -10.2087 -10.2087 -10.2087 -9.4895 -9.4895 -9.4892 -9.4892 -9.4641 -9.4641 -9.4640 -9.4640 -9.3446 -9.3446 -9.3443 -9.3443 -9.2914 -9.2914 -9.2912 -9.2912 -3.0613 -3.0613 -3.0604 -3.0604 -2.9666 -2.9666 -2.9658 -2.9658 -1.5188 -1.5188 -1.4801 -1.4801 -1.3162 -1.3162 -1.3053 -1.3053 -1.1748 -1.1748 -1.1232 -1.1232 -0.4325 -0.4325 -0.4055 -0.4055 -0.3428 -0.3428 -0.2555 -0.2555 -0.1224 -0.1224 -0.0746 -0.0746 0.0482 0.0482 0.1012 0.1012 0.4330 0.4330 0.5096 0.5096 0.7007 0.7007 0.7813 0.7813 0.8213 0.8213 0.8797 0.8797 0.9805 0.9805 1.0542 1.0542 1.1121 1.1121 1.1606 1.1606 1.4638 1.4638 1.4679 1.4679 1.5122 1.5122 1.5337 1.5337 1.7125 1.7125 1.7855 1.7855 1.8852 1.8852 1.9008 1.9008 5.2279 5.2279 5.2424 5.2424 5.8882 5.8882 5.8963 5.8963 6.4976 6.4976 6.5084 6.5084 6.9254 6.9254 6.9304 6.9304 7.1331 7.1331 7.1425 7.1425 Writing output data file AlI3.save init_run : 0.53s CPU 0.70s WALL ( 1 calls) electrons : 724.36s CPU 733.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 724.34s CPU 733.67s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.25s CPU 0.32s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.53s CPU 0.55s WALL ( 177 calls) cegterg : 666.68s CPU 674.92s WALL ( 264 calls) Called by sum_band: Called by *egterg: h_psi : 355.03s CPU 357.47s WALL ( 4075 calls) s_psi : 65.23s CPU 65.08s WALL ( 4075 calls) g_psi : 1.15s CPU 1.18s WALL ( 3634 calls) cdiaghg : 163.69s CPU 165.73s WALL ( 3811 calls) cegterg:over : 45.14s CPU 45.16s WALL ( 3634 calls) cegterg:upda : 43.68s CPU 43.64s WALL ( 3634 calls) cegterg:last : 22.30s CPU 22.27s WALL ( 666 calls) cdiaghg:chol : 10.24s CPU 10.54s WALL ( 3811 calls) cdiaghg:inve : 8.59s CPU 8.50s WALL ( 3811 calls) cdiaghg:para : 14.58s CPU 14.93s WALL ( 7622 calls) Called by h_psi: h_psi:vloc : 247.22s CPU 249.36s WALL ( 4075 calls) h_psi:vnl : 105.36s CPU 105.76s WALL ( 4075 calls) add_vuspsi : 55.63s CPU 55.98s WALL ( 4075 calls) General routines calbec : 49.71s CPU 49.77s WALL ( 4075 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 233.64s CPU 235.95s WALL ( 989432 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.48s WALL ( 354 calls) Parallel routines fft_scatter : 72.90s CPU 72.69s WALL ( 989455 calls) PWSCF : 12m53.24s CPU 13m27.45s WALL This run was terminated on: 11:28:48 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=