Program PWSCF v.5.1.1 starts on 28Jun2015 at 22:50:38 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./N3Cl.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 63 36 10 1949 836 132 Max 64 37 11 1952 853 135 Sum 3041 1733 509 93623 40531 6387 bravais-lattice index = 14 lattice parameter (alat) = 12.3184 a.u. unit-cell volume = 964.3071 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.318439 celldm(2)= 1.000000 celldm(3)= 0.660828 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.624961 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.624961 0.780656 0.000000 ) a(3) = ( 0.000000 0.000000 0.660828 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.800559 -0.000000 ) b(2) = ( 0.000000 1.280974 -0.000000 ) b(3) = ( 0.000000 0.000000 1.513252 ) PseudoPot. # 1 for Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3304141 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 358 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0087914 0.0182996 -0.0000000), wk = 0.0027933 k( 3) = ( 0.0175828 0.0365993 -0.0000000), wk = 0.0027933 k( 4) = ( 0.0263743 0.0548989 -0.0000000), wk = 0.0027933 k( 5) = ( 0.0351657 0.0731985 -0.0000000), wk = 0.0027933 k( 6) = ( 0.0439571 0.0914981 -0.0000000), wk = 0.0027933 k( 7) = ( 0.0527485 0.1097978 -0.0000000), wk = 0.0027933 k( 8) = ( 0.0615399 0.1280974 -0.0000000), wk = 0.0027933 k( 9) = ( 0.0703314 0.1463970 -0.0000000), wk = 0.0027933 k( 10) = ( 0.0791228 0.1646966 -0.0000000), wk = 0.0027933 k( 11) = ( 0.0879142 0.1829963 -0.0000000), wk = 0.0027933 k( 12) = ( 0.0967056 0.2012959 -0.0000000), wk = 0.0027933 k( 13) = ( 0.1054970 0.2195955 -0.0000000), wk = 0.0027933 k( 14) = ( 0.1142885 0.2378951 -0.0000000), wk = 0.0027933 k( 15) = ( 0.1230799 0.2561948 -0.0000000), wk = 0.0027933 k( 16) = ( 0.1318713 0.2744944 -0.0000000), wk = 0.0027933 k( 17) = ( 0.1406627 0.2927940 -0.0000000), wk = 0.0027933 k( 18) = ( 0.1494541 0.3110937 -0.0000000), wk = 0.0027933 k( 19) = ( 0.1582456 0.3293933 -0.0000000), wk = 0.0027933 k( 20) = ( 0.1670370 0.3476929 -0.0000000), wk = 0.0027933 k( 21) = ( 0.1758284 0.3659925 -0.0000000), wk = 0.0027933 k( 22) = ( 0.1846198 0.3842922 -0.0000000), wk = 0.0027933 k( 23) = ( 0.1934112 0.4025918 -0.0000000), wk = 0.0027933 k( 24) = ( 0.2022027 0.4208914 -0.0000000), wk = 0.0027933 k( 25) = ( 0.2109941 0.4391910 -0.0000000), wk = 0.0027933 k( 26) = ( 0.2197855 0.4574907 -0.0000000), wk = 0.0027933 k( 27) = ( 0.2285769 0.4757903 -0.0000000), wk = 0.0027933 k( 28) = ( 0.2373684 0.4940899 -0.0000000), wk = 0.0027933 k( 29) = ( 0.2461598 0.5123896 -0.0000000), wk = 0.0027933 k( 30) = ( 0.2549512 0.5306892 -0.0000000), wk = 0.0027933 k( 31) = ( 0.2637426 0.5489888 -0.0000000), wk = 0.0027933 k( 32) = ( 0.2725340 0.5672884 -0.0000000), wk = 0.0027933 k( 33) = ( 0.2813254 0.5855881 -0.0000000), wk = 0.0027933 k( 34) = ( 0.2901169 0.6038877 -0.0000000), wk = 0.0027933 k( 35) = ( 0.2989083 0.6221873 -0.0000000), wk = 0.0027933 k( 36) = ( 0.3076997 0.6404870 -0.0000000), wk = 0.0027933 k( 37) = ( 0.3076997 0.6404870 -0.0000000), wk = 0.0027933 k( 38) = ( 0.2871864 0.6404869 -0.0000000), wk = 0.0027933 k( 39) = ( 0.2666731 0.6404870 -0.0000000), wk = 0.0027933 k( 40) = ( 0.2461598 0.6404870 -0.0000000), wk = 0.0027933 k( 41) = ( 0.2256464 0.6404870 -0.0000000), wk = 0.0027933 k( 42) = ( 0.2051331 0.6404869 -0.0000000), wk = 0.0027933 k( 43) = ( 0.1846198 0.6404869 -0.0000000), wk = 0.0027933 k( 44) = ( 0.1641065 0.6404869 -0.0000000), wk = 0.0027933 k( 45) = ( 0.1435932 0.6404869 -0.0000000), wk = 0.0027933 k( 46) = ( 0.1230799 0.6404869 -0.0000000), wk = 0.0027933 k( 47) = ( 0.1025666 0.6404869 -0.0000000), wk = 0.0027933 k( 48) = ( 0.0820533 0.6404869 -0.0000000), wk = 0.0027933 k( 49) = ( 0.0615399 0.6404869 -0.0000000), wk = 0.0027933 k( 50) = ( 0.0410266 0.6404869 -0.0000000), wk = 0.0027933 k( 51) = ( 0.0205133 0.6404869 -0.0000000), wk = 0.0027933 k( 52) = ( 0.0000000 0.6404869 -0.0000000), wk = 0.0027933 k( 53) = ( 0.0000000 0.6404869 -0.0000000), wk = 0.0027933 k( 54) = ( 0.0000000 0.6404869 0.0204494), wk = 0.0027933 k( 55) = ( 0.0000000 0.6404869 0.0408987), wk = 0.0027933 k( 56) = ( 0.0000000 0.6404869 0.0613481), wk = 0.0027933 k( 57) = ( 0.0000000 0.6404869 0.0817974), wk = 0.0027933 k( 58) = ( 0.0000000 0.6404869 0.1022468), wk = 0.0027933 k( 59) = ( 0.0000000 0.6404869 0.1226961), wk = 0.0027933 k( 60) = ( 0.0000000 0.6404869 0.1431455), wk = 0.0027933 k( 61) = ( 0.0000000 0.6404869 0.1635949), wk = 0.0027933 k( 62) = ( 0.0000000 0.6404869 0.1840442), wk = 0.0027933 k( 63) = ( 0.0000000 0.6404869 0.2044936), wk = 0.0027933 k( 64) = ( 0.0000000 0.6404869 0.2249429), wk = 0.0027933 k( 65) = ( 0.0000000 0.6404869 0.2453923), wk = 0.0027933 k( 66) = ( 0.0000000 0.6404869 0.2658417), wk = 0.0027933 k( 67) = ( 0.0000000 0.6404869 0.2862910), wk = 0.0027933 k( 68) = ( 0.0000000 0.6404869 0.3067404), wk = 0.0027933 k( 69) = ( 0.0000000 0.6404869 0.3271897), wk = 0.0027933 k( 70) = ( 0.0000000 0.6404869 0.3476391), wk = 0.0027933 k( 71) = ( 0.0000000 0.6404869 0.3680884), wk = 0.0027933 k( 72) = ( 0.0000000 0.6404869 0.3885378), wk = 0.0027933 k( 73) = ( 0.0000000 0.6404869 0.4089872), wk = 0.0027933 k( 74) = ( 0.0000000 0.6404869 0.4294365), wk = 0.0027933 k( 75) = ( 0.0000000 0.6404869 0.4498859), wk = 0.0027933 k( 76) = ( 0.0000000 0.6404869 0.4703352), wk = 0.0027933 k( 77) = ( 0.0000000 0.6404869 0.4907846), wk = 0.0027933 k( 78) = ( 0.0000000 0.6404869 0.5112340), wk = 0.0027933 k( 79) = ( 0.0000000 0.6404869 0.5316833), wk = 0.0027933 k( 80) = ( 0.0000000 0.6404869 0.5521327), wk = 0.0027933 k( 81) = ( 0.0000000 0.6404869 0.5725820), wk = 0.0027933 k( 82) = ( 0.0000000 0.6404869 0.5930314), wk = 0.0027933 k( 83) = ( 0.0000000 0.6404869 0.6134807), wk = 0.0027933 k( 84) = ( 0.0000000 0.6404869 0.6339301), wk = 0.0027933 k( 85) = ( 0.0000000 0.6404869 0.6543794), wk = 0.0027933 k( 86) = ( 0.0000000 0.6404869 0.6748288), wk = 0.0027933 k( 87) = ( 0.0000000 0.6404869 0.6952782), wk = 0.0027933 k( 88) = ( 0.0000000 0.6404869 0.7157275), wk = 0.0027933 k( 89) = ( 0.0000000 0.6404869 0.7361769), wk = 0.0027933 k( 90) = ( 0.0000000 0.6404869 0.7566262), wk = 0.0027933 k( 91) = ( 0.0000000 0.6404869 0.7566262), wk = 0.0027933 k( 92) = ( 0.0205133 0.6404869 0.7566262), wk = 0.0027933 k( 93) = ( 0.0410266 0.6404869 0.7566262), wk = 0.0027933 k( 94) = ( 0.0615399 0.6404869 0.7566262), wk = 0.0027933 k( 95) = ( 0.0820533 0.6404869 0.7566262), wk = 0.0027933 k( 96) = ( 0.1025666 0.6404869 0.7566262), wk = 0.0027933 k( 97) = ( 0.1230799 0.6404869 0.7566262), wk = 0.0027933 k( 98) = ( 0.1435932 0.6404869 0.7566262), wk = 0.0027933 k( 99) = ( 0.1641065 0.6404869 0.7566262), wk = 0.0027933 k( 100) = ( 0.1846198 0.6404869 0.7566262), wk = 0.0027933 k( 101) = ( 0.2051331 0.6404869 0.7566262), wk = 0.0027933 k( 102) = ( 0.2256464 0.6404870 0.7566262), wk = 0.0027933 k( 103) = ( 0.2461598 0.6404870 0.7566262), wk = 0.0027933 k( 104) = ( 0.2666731 0.6404870 0.7566262), wk = 0.0027933 k( 105) = ( 0.2871864 0.6404869 0.7566262), wk = 0.0027933 k( 106) = ( 0.3076997 0.6404870 0.7566262), wk = 0.0027933 k( 107) = ( 0.3076997 0.6404870 0.7566262), wk = 0.0027933 k( 108) = ( 0.2989083 0.6221873 0.7566262), wk = 0.0027933 k( 109) = ( 0.2901169 0.6038877 0.7566262), wk = 0.0027933 k( 110) = ( 0.2813254 0.5855881 0.7566262), wk = 0.0027933 k( 111) = ( 0.2725340 0.5672884 0.7566262), wk = 0.0027933 k( 112) = ( 0.2637426 0.5489888 0.7566262), wk = 0.0027933 k( 113) = ( 0.2549512 0.5306892 0.7566262), wk = 0.0027933 k( 114) = ( 0.2461598 0.5123896 0.7566262), wk = 0.0027933 k( 115) = ( 0.2373684 0.4940899 0.7566262), wk = 0.0027933 k( 116) = ( 0.2285769 0.4757903 0.7566262), wk = 0.0027933 k( 117) = ( 0.2197855 0.4574907 0.7566262), wk = 0.0027933 k( 118) = ( 0.2109941 0.4391910 0.7566262), wk = 0.0027933 k( 119) = ( 0.2022027 0.4208914 0.7566262), wk = 0.0027933 k( 120) = ( 0.1934112 0.4025918 0.7566262), wk = 0.0027933 k( 121) = ( 0.1846198 0.3842922 0.7566262), wk = 0.0027933 k( 122) = ( 0.1758284 0.3659925 0.7566262), wk = 0.0027933 k( 123) = ( 0.1670370 0.3476929 0.7566262), wk = 0.0027933 k( 124) = ( 0.1582456 0.3293933 0.7566262), wk = 0.0027933 k( 125) = ( 0.1494541 0.3110937 0.7566262), wk = 0.0027933 k( 126) = ( 0.1406627 0.2927940 0.7566262), wk = 0.0027933 k( 127) = ( 0.1318713 0.2744944 0.7566262), wk = 0.0027933 k( 128) = ( 0.1230799 0.2561948 0.7566262), wk = 0.0027933 k( 129) = ( 0.1142885 0.2378951 0.7566262), wk = 0.0027933 k( 130) = ( 0.1054970 0.2195955 0.7566262), wk = 0.0027933 k( 131) = ( 0.0967056 0.2012959 0.7566262), wk = 0.0027933 k( 132) = ( 0.0879142 0.1829963 0.7566262), wk = 0.0027933 k( 133) = ( 0.0791228 0.1646966 0.7566262), wk = 0.0027933 k( 134) = ( 0.0703314 0.1463970 0.7566262), wk = 0.0027933 k( 135) = ( 0.0615399 0.1280974 0.7566262), wk = 0.0027933 k( 136) = ( 0.0527485 0.1097978 0.7566262), wk = 0.0027933 k( 137) = ( 0.0439571 0.0914981 0.7566262), wk = 0.0027933 k( 138) = ( 0.0351657 0.0731985 0.7566262), wk = 0.0027933 k( 139) = ( 0.0263743 0.0548989 0.7566262), wk = 0.0027933 k( 140) = ( 0.0175828 0.0365993 0.7566262), wk = 0.0027933 k( 141) = ( 0.0087914 0.0182996 0.7566262), wk = 0.0027933 k( 142) = ( 0.0000000 0.0000000 0.7566262), wk = 0.0027933 k( 143) = ( 0.0000000 0.0000000 0.7566262), wk = 0.0027933 k( 144) = ( 0.0000000 0.0000000 0.7361769), wk = 0.0027933 k( 145) = ( 0.0000000 0.0000000 0.7157275), wk = 0.0027933 k( 146) = ( 0.0000000 0.0000000 0.6952782), wk = 0.0027933 k( 147) = ( 0.0000000 0.0000000 0.6748288), wk = 0.0027933 k( 148) = ( 0.0000000 0.0000000 0.6543794), wk = 0.0027933 k( 149) = ( 0.0000000 0.0000000 0.6339301), wk = 0.0027933 k( 150) = ( 0.0000000 0.0000000 0.6134807), wk = 0.0027933 k( 151) = ( 0.0000000 0.0000000 0.5930314), wk = 0.0027933 k( 152) = ( 0.0000000 0.0000000 0.5725820), wk = 0.0027933 k( 153) = ( 0.0000000 0.0000000 0.5521327), wk = 0.0027933 k( 154) = ( 0.0000000 0.0000000 0.5316833), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.5112340), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.4907846), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.4703352), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.4498859), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.4294365), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.4089872), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.3885378), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.3680884), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.3476391), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.3271897), wk = 0.0027933 k( 165) = ( 0.0000000 0.0000000 0.3067404), wk = 0.0027933 k( 166) = ( 0.0000000 0.0000000 0.2862910), wk = 0.0027933 k( 167) = ( 0.0000000 0.0000000 0.2658417), wk = 0.0027933 k( 168) = ( 0.0000000 0.0000000 0.2453923), wk = 0.0027933 k( 169) = ( 0.0000000 0.0000000 0.2249429), wk = 0.0027933 k( 170) = ( 0.0000000 0.0000000 0.2044936), wk = 0.0027933 k( 171) = ( 0.0000000 0.0000000 0.1840442), wk = 0.0027933 k( 172) = ( 0.0000000 0.0000000 0.1635949), wk = 0.0027933 k( 173) = ( 0.0000000 0.0000000 0.1431455), wk = 0.0027933 k( 174) = ( 0.0000000 0.0000000 0.1226961), wk = 0.0027933 k( 175) = ( 0.0000000 0.0000000 0.1022468), wk = 0.0027933 k( 176) = ( 0.0000000 0.0000000 0.0817974), wk = 0.0027933 k( 177) = ( 0.0000000 0.0000000 0.0613481), wk = 0.0027933 k( 178) = ( 0.0000000 0.0000000 0.0408987), wk = 0.0027933 k( 179) = ( 0.0000000 0.0000000 0.0204494), wk = 0.0027933 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 182) = ( -0.0185185 0.0088966 0.0000000), wk = 0.0027933 k( 183) = ( -0.0370370 0.0177932 0.0000000), wk = 0.0027933 k( 184) = ( -0.0555556 0.0266897 0.0000000), wk = 0.0027933 k( 185) = ( -0.0740741 0.0355863 0.0000000), wk = 0.0027933 k( 186) = ( -0.0925926 0.0444829 0.0000000), wk = 0.0027933 k( 187) = ( -0.1111111 0.0533795 0.0000000), wk = 0.0027933 k( 188) = ( -0.1296296 0.0622761 0.0000000), wk = 0.0027933 k( 189) = ( -0.1481482 0.0711726 0.0000000), wk = 0.0027933 k( 190) = ( -0.1666667 0.0800692 0.0000000), wk = 0.0027933 k( 191) = ( -0.1851852 0.0889658 0.0000000), wk = 0.0027933 k( 192) = ( -0.2037037 0.0978624 0.0000000), wk = 0.0027933 k( 193) = ( -0.2222222 0.1067589 0.0000000), wk = 0.0027933 k( 194) = ( -0.2407407 0.1156555 0.0000000), wk = 0.0027933 k( 195) = ( -0.2592593 0.1245521 0.0000000), wk = 0.0027933 k( 196) = ( -0.2777778 0.1334487 0.0000000), wk = 0.0027933 k( 197) = ( -0.2962963 0.1423453 0.0000000), wk = 0.0027933 k( 198) = ( -0.3148148 0.1512418 0.0000000), wk = 0.0027933 k( 199) = ( -0.3333333 0.1601384 0.0000000), wk = 0.0027933 k( 200) = ( -0.3518519 0.1690350 0.0000000), wk = 0.0027933 k( 201) = ( -0.3703704 0.1779316 0.0000000), wk = 0.0027933 k( 202) = ( -0.3888889 0.1868282 0.0000000), wk = 0.0027933 k( 203) = ( -0.4074074 0.1957247 0.0000000), wk = 0.0027933 k( 204) = ( -0.4259259 0.2046213 0.0000000), wk = 0.0027933 k( 205) = ( -0.4444444 0.2135179 0.0000000), wk = 0.0027933 k( 206) = ( -0.4629630 0.2224145 0.0000000), wk = 0.0027933 k( 207) = ( -0.4814815 0.2313111 0.0000000), wk = 0.0027933 k( 208) = ( -0.5000000 0.2402076 0.0000000), wk = 0.0027933 k( 209) = ( -0.5000000 0.2402076 0.0000000), wk = 0.0027933 k( 210) = ( -0.4912591 0.2584021 -0.0000000), wk = 0.0027933 k( 211) = ( -0.4825182 0.2765967 -0.0000000), wk = 0.0027933 k( 212) = ( -0.4737772 0.2947912 -0.0000000), wk = 0.0027933 k( 213) = ( -0.4650363 0.3129857 -0.0000000), wk = 0.0027933 k( 214) = ( -0.4562954 0.3311802 -0.0000000), wk = 0.0027933 k( 215) = ( -0.4475545 0.3493747 -0.0000000), wk = 0.0027933 k( 216) = ( -0.4388135 0.3675692 -0.0000000), wk = 0.0027933 k( 217) = ( -0.4300726 0.3857637 -0.0000000), wk = 0.0027933 k( 218) = ( -0.4213317 0.4039583 -0.0000000), wk = 0.0027933 k( 219) = ( -0.4125908 0.4221528 -0.0000000), wk = 0.0027933 k( 220) = ( -0.4038499 0.4403473 -0.0000000), wk = 0.0027933 k( 221) = ( -0.3951089 0.4585418 -0.0000000), wk = 0.0027933 k( 222) = ( -0.3863680 0.4767363 -0.0000000), wk = 0.0027933 k( 223) = ( -0.3776271 0.4949308 -0.0000000), wk = 0.0027933 k( 224) = ( -0.3688862 0.5131254 -0.0000000), wk = 0.0027933 k( 225) = ( -0.3601452 0.5313199 -0.0000000), wk = 0.0027933 k( 226) = ( -0.3514043 0.5495144 -0.0000000), wk = 0.0027933 k( 227) = ( -0.3426634 0.5677089 -0.0000000), wk = 0.0027933 k( 228) = ( -0.3339225 0.5859034 -0.0000000), wk = 0.0027933 k( 229) = ( -0.3251815 0.6040979 -0.0000000), wk = 0.0027933 k( 230) = ( -0.3164406 0.6222924 -0.0000000), wk = 0.0027933 k( 231) = ( -0.3076997 0.6404869 -0.0000000), wk = 0.0027933 k( 232) = ( -0.3076997 0.6404869 -0.0000000), wk = 0.0027933 k( 233) = ( -0.3076997 0.6404869 0.0204494), wk = 0.0027933 k( 234) = ( -0.3076997 0.6404869 0.0408987), wk = 0.0027933 k( 235) = ( -0.3076997 0.6404869 0.0613481), wk = 0.0027933 k( 236) = ( -0.3076997 0.6404869 0.0817974), wk = 0.0027933 k( 237) = ( -0.3076997 0.6404869 0.1022468), wk = 0.0027933 k( 238) = ( -0.3076997 0.6404869 0.1226961), wk = 0.0027933 k( 239) = ( -0.3076997 0.6404869 0.1431455), wk = 0.0027933 k( 240) = ( -0.3076997 0.6404869 0.1635949), wk = 0.0027933 k( 241) = ( -0.3076997 0.6404869 0.1840442), wk = 0.0027933 k( 242) = ( -0.3076997 0.6404869 0.2044936), wk = 0.0027933 k( 243) = ( -0.3076997 0.6404869 0.2249429), wk = 0.0027933 k( 244) = ( -0.3076997 0.6404869 0.2453923), wk = 0.0027933 k( 245) = ( -0.3076997 0.6404869 0.2658417), wk = 0.0027933 k( 246) = ( -0.3076997 0.6404869 0.2862910), wk = 0.0027933 k( 247) = ( -0.3076997 0.6404869 0.3067404), wk = 0.0027933 k( 248) = ( -0.3076997 0.6404869 0.3271897), wk = 0.0027933 k( 249) = ( -0.3076997 0.6404869 0.3476391), wk = 0.0027933 k( 250) = ( -0.3076997 0.6404869 0.3680884), wk = 0.0027933 k( 251) = ( -0.3076997 0.6404869 0.3885378), wk = 0.0027933 k( 252) = ( -0.3076997 0.6404869 0.4089872), wk = 0.0027933 k( 253) = ( -0.3076997 0.6404869 0.4294365), wk = 0.0027933 k( 254) = ( -0.3076997 0.6404869 0.4498859), wk = 0.0027933 k( 255) = ( -0.3076997 0.6404869 0.4703352), wk = 0.0027933 k( 256) = ( -0.3076997 0.6404869 0.4907846), wk = 0.0027933 k( 257) = ( -0.3076997 0.6404869 0.5112340), wk = 0.0027933 k( 258) = ( -0.3076997 0.6404869 0.5316833), wk = 0.0027933 k( 259) = ( -0.3076997 0.6404869 0.5521327), wk = 0.0027933 k( 260) = ( -0.3076997 0.6404869 0.5725820), wk = 0.0027933 k( 261) = ( -0.3076997 0.6404869 0.5930314), wk = 0.0027933 k( 262) = ( -0.3076997 0.6404869 0.6134807), wk = 0.0027933 k( 263) = ( -0.3076997 0.6404869 0.6339301), wk = 0.0027933 k( 264) = ( -0.3076997 0.6404869 0.6543794), wk = 0.0027933 k( 265) = ( -0.3076997 0.6404869 0.6748288), wk = 0.0027933 k( 266) = ( -0.3076997 0.6404869 0.6952782), wk = 0.0027933 k( 267) = ( -0.3076997 0.6404869 0.7157275), wk = 0.0027933 k( 268) = ( -0.3076997 0.6404869 0.7361769), wk = 0.0027933 k( 269) = ( -0.3076997 0.6404869 0.7566262), wk = 0.0027933 k( 270) = ( -0.3076997 0.6404869 0.7566262), wk = 0.0027933 k( 271) = ( -0.3164406 0.6222924 0.7566262), wk = 0.0027933 k( 272) = ( -0.3251815 0.6040979 0.7566262), wk = 0.0027933 k( 273) = ( -0.3339225 0.5859034 0.7566262), wk = 0.0027933 k( 274) = ( -0.3426634 0.5677089 0.7566262), wk = 0.0027933 k( 275) = ( -0.3514043 0.5495144 0.7566262), wk = 0.0027933 k( 276) = ( -0.3601452 0.5313199 0.7566262), wk = 0.0027933 k( 277) = ( -0.3688862 0.5131254 0.7566262), wk = 0.0027933 k( 278) = ( -0.3776271 0.4949308 0.7566262), wk = 0.0027933 k( 279) = ( -0.3863680 0.4767363 0.7566262), wk = 0.0027933 k( 280) = ( -0.3951089 0.4585418 0.7566262), wk = 0.0027933 k( 281) = ( -0.4038499 0.4403473 0.7566262), wk = 0.0027933 k( 282) = ( -0.4125908 0.4221528 0.7566262), wk = 0.0027933 k( 283) = ( -0.4213317 0.4039583 0.7566262), wk = 0.0027933 k( 284) = ( -0.4300726 0.3857637 0.7566262), wk = 0.0027933 k( 285) = ( -0.4388135 0.3675692 0.7566262), wk = 0.0027933 k( 286) = ( -0.4475545 0.3493747 0.7566262), wk = 0.0027933 k( 287) = ( -0.4562954 0.3311802 0.7566262), wk = 0.0027933 k( 288) = ( -0.4650363 0.3129857 0.7566262), wk = 0.0027933 k( 289) = ( -0.4737772 0.2947912 0.7566262), wk = 0.0027933 k( 290) = ( -0.4825182 0.2765967 0.7566262), wk = 0.0027933 k( 291) = ( -0.4912591 0.2584021 0.7566262), wk = 0.0027933 k( 292) = ( -0.5000000 0.2402076 0.7566262), wk = 0.0027933 k( 293) = ( -0.5000000 0.2402076 0.7566262), wk = 0.0027933 k( 294) = ( -0.5000000 0.2402076 0.7361769), wk = 0.0027933 k( 295) = ( -0.5000000 0.2402076 0.7157275), wk = 0.0027933 k( 296) = ( -0.5000000 0.2402076 0.6952782), wk = 0.0027933 k( 297) = ( -0.5000000 0.2402076 0.6748288), wk = 0.0027933 k( 298) = ( -0.5000000 0.2402076 0.6543794), wk = 0.0027933 k( 299) = ( -0.5000000 0.2402076 0.6339301), wk = 0.0027933 k( 300) = ( -0.5000000 0.2402076 0.6134807), wk = 0.0027933 k( 301) = ( -0.5000000 0.2402076 0.5930314), wk = 0.0027933 k( 302) = ( -0.5000000 0.2402076 0.5725820), wk = 0.0027933 k( 303) = ( -0.5000000 0.2402076 0.5521327), wk = 0.0027933 k( 304) = ( -0.5000000 0.2402076 0.5316833), wk = 0.0027933 k( 305) = ( -0.5000000 0.2402076 0.5112340), wk = 0.0027933 k( 306) = ( -0.5000000 0.2402076 0.4907846), wk = 0.0027933 k( 307) = ( -0.5000000 0.2402076 0.4703352), wk = 0.0027933 k( 308) = ( -0.5000000 0.2402076 0.4498859), wk = 0.0027933 k( 309) = ( -0.5000000 0.2402076 0.4294365), wk = 0.0027933 k( 310) = ( -0.5000000 0.2402076 0.4089872), wk = 0.0027933 k( 311) = ( -0.5000000 0.2402076 0.3885378), wk = 0.0027933 k( 312) = ( -0.5000000 0.2402076 0.3680884), wk = 0.0027933 k( 313) = ( -0.5000000 0.2402076 0.3476391), wk = 0.0027933 k( 314) = ( -0.5000000 0.2402076 0.3271897), wk = 0.0027933 k( 315) = ( -0.5000000 0.2402076 0.3067404), wk = 0.0027933 k( 316) = ( -0.5000000 0.2402076 0.2862910), wk = 0.0027933 k( 317) = ( -0.5000000 0.2402076 0.2658417), wk = 0.0027933 k( 318) = ( -0.5000000 0.2402076 0.2453923), wk = 0.0027933 k( 319) = ( -0.5000000 0.2402076 0.2249429), wk = 0.0027933 k( 320) = ( -0.5000000 0.2402076 0.2044936), wk = 0.0027933 k( 321) = ( -0.5000000 0.2402076 0.1840442), wk = 0.0027933 k( 322) = ( -0.5000000 0.2402076 0.1635949), wk = 0.0027933 k( 323) = ( -0.5000000 0.2402076 0.1431455), wk = 0.0027933 k( 324) = ( -0.5000000 0.2402076 0.1226961), wk = 0.0027933 k( 325) = ( -0.5000000 0.2402076 0.1022468), wk = 0.0027933 k( 326) = ( -0.5000000 0.2402076 0.0817974), wk = 0.0027933 k( 327) = ( -0.5000000 0.2402076 0.0613481), wk = 0.0027933 k( 328) = ( -0.5000000 0.2402076 0.0408987), wk = 0.0027933 k( 329) = ( -0.5000000 0.2402076 0.0204494), wk = 0.0027933 k( 330) = ( -0.5000000 0.2402076 0.0000000), wk = 0.0027933 k( 331) = ( 0.0000000 0.0000000 0.7566262), wk = 0.0027933 k( 332) = ( -0.0185185 0.0088966 0.7566262), wk = 0.0027933 k( 333) = ( -0.0370370 0.0177932 0.7566262), wk = 0.0027933 k( 334) = ( -0.0555556 0.0266897 0.7566262), wk = 0.0027933 k( 335) = ( -0.0740741 0.0355863 0.7566262), wk = 0.0027933 k( 336) = ( -0.0925926 0.0444829 0.7566262), wk = 0.0027933 k( 337) = ( -0.1111111 0.0533795 0.7566262), wk = 0.0027933 k( 338) = ( -0.1296296 0.0622761 0.7566262), wk = 0.0027933 k( 339) = ( -0.1481482 0.0711726 0.7566262), wk = 0.0027933 k( 340) = ( -0.1666667 0.0800692 0.7566262), wk = 0.0027933 k( 341) = ( -0.1851852 0.0889658 0.7566262), wk = 0.0027933 k( 342) = ( -0.2037037 0.0978624 0.7566262), wk = 0.0027933 k( 343) = ( -0.2222222 0.1067589 0.7566262), wk = 0.0027933 k( 344) = ( -0.2407407 0.1156555 0.7566262), wk = 0.0027933 k( 345) = ( -0.2592593 0.1245521 0.7566262), wk = 0.0027933 k( 346) = ( -0.2777778 0.1334487 0.7566262), wk = 0.0027933 k( 347) = ( -0.2962963 0.1423453 0.7566262), wk = 0.0027933 k( 348) = ( -0.3148148 0.1512418 0.7566262), wk = 0.0027933 k( 349) = ( -0.3333333 0.1601384 0.7566262), wk = 0.0027933 k( 350) = ( -0.3518519 0.1690350 0.7566262), wk = 0.0027933 k( 351) = ( -0.3703704 0.1779316 0.7566262), wk = 0.0027933 k( 352) = ( -0.3888889 0.1868282 0.7566262), wk = 0.0027933 k( 353) = ( -0.4074074 0.1957247 0.7566262), wk = 0.0027933 k( 354) = ( -0.4259259 0.2046213 0.7566262), wk = 0.0027933 k( 355) = ( -0.4444444 0.2135179 0.7566262), wk = 0.0027933 k( 356) = ( -0.4629630 0.2224145 0.7566262), wk = 0.0027933 k( 357) = ( -0.4814815 0.2313111 0.7566262), wk = 0.0027933 k( 358) = ( -0.5000000 0.2402076 0.7566262), wk = 0.0027933 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0087914 0.0087914 0.0000000), wk = 0.0027933 k( 3) = ( 0.0175828 0.0175828 0.0000000), wk = 0.0027933 k( 4) = ( 0.0263743 0.0263743 0.0000000), wk = 0.0027933 k( 5) = ( 0.0351657 0.0351657 0.0000000), wk = 0.0027933 k( 6) = ( 0.0439571 0.0439571 0.0000000), wk = 0.0027933 k( 7) = ( 0.0527485 0.0527485 0.0000000), wk = 0.0027933 k( 8) = ( 0.0615399 0.0615399 0.0000000), wk = 0.0027933 k( 9) = ( 0.0703314 0.0703314 0.0000000), wk = 0.0027933 k( 10) = ( 0.0791228 0.0791228 0.0000000), wk = 0.0027933 k( 11) = ( 0.0879142 0.0879142 0.0000000), wk = 0.0027933 k( 12) = ( 0.0967056 0.0967056 0.0000000), wk = 0.0027933 k( 13) = ( 0.1054970 0.1054970 0.0000000), wk = 0.0027933 k( 14) = ( 0.1142885 0.1142885 0.0000000), wk = 0.0027933 k( 15) = ( 0.1230799 0.1230799 0.0000000), wk = 0.0027933 k( 16) = ( 0.1318713 0.1318713 0.0000000), wk = 0.0027933 k( 17) = ( 0.1406627 0.1406627 0.0000000), wk = 0.0027933 k( 18) = ( 0.1494541 0.1494541 0.0000000), wk = 0.0027933 k( 19) = ( 0.1582456 0.1582456 0.0000000), wk = 0.0027933 k( 20) = ( 0.1670370 0.1670370 0.0000000), wk = 0.0027933 k( 21) = ( 0.1758284 0.1758284 0.0000000), wk = 0.0027933 k( 22) = ( 0.1846198 0.1846198 0.0000000), wk = 0.0027933 k( 23) = ( 0.1934112 0.1934112 0.0000000), wk = 0.0027933 k( 24) = ( 0.2022027 0.2022027 0.0000000), wk = 0.0027933 k( 25) = ( 0.2109941 0.2109941 0.0000000), wk = 0.0027933 k( 26) = ( 0.2197855 0.2197855 0.0000000), wk = 0.0027933 k( 27) = ( 0.2285769 0.2285769 0.0000000), wk = 0.0027933 k( 28) = ( 0.2373684 0.2373684 0.0000000), wk = 0.0027933 k( 29) = ( 0.2461598 0.2461598 0.0000000), wk = 0.0027933 k( 30) = ( 0.2549512 0.2549512 0.0000000), wk = 0.0027933 k( 31) = ( 0.2637426 0.2637426 0.0000000), wk = 0.0027933 k( 32) = ( 0.2725340 0.2725340 0.0000000), wk = 0.0027933 k( 33) = ( 0.2813254 0.2813254 0.0000000), wk = 0.0027933 k( 34) = ( 0.2901169 0.2901169 0.0000000), wk = 0.0027933 k( 35) = ( 0.2989083 0.2989083 0.0000000), wk = 0.0027933 k( 36) = ( 0.3076997 0.3076997 0.0000000), wk = 0.0027933 k( 37) = ( 0.3076997 0.3076997 0.0000000), wk = 0.0027933 k( 38) = ( 0.2871864 0.3205197 0.0000000), wk = 0.0027933 k( 39) = ( 0.2666731 0.3333397 0.0000000), wk = 0.0027933 k( 40) = ( 0.2461598 0.3461598 0.0000000), wk = 0.0027933 k( 41) = ( 0.2256464 0.3589798 0.0000000), wk = 0.0027933 k( 42) = ( 0.2051331 0.3717998 0.0000000), wk = 0.0027933 k( 43) = ( 0.1846198 0.3846198 0.0000000), wk = 0.0027933 k( 44) = ( 0.1641065 0.3974398 0.0000000), wk = 0.0027933 k( 45) = ( 0.1435932 0.4102599 0.0000000), wk = 0.0027933 k( 46) = ( 0.1230799 0.4230799 0.0000000), wk = 0.0027933 k( 47) = ( 0.1025666 0.4358999 0.0000000), wk = 0.0027933 k( 48) = ( 0.0820533 0.4487199 0.0000000), wk = 0.0027933 k( 49) = ( 0.0615399 0.4615399 0.0000000), wk = 0.0027933 k( 50) = ( 0.0410266 0.4743600 0.0000000), wk = 0.0027933 k( 51) = ( 0.0205133 0.4871800 0.0000000), wk = 0.0027933 k( 52) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933 k( 53) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933 k( 54) = ( 0.0000000 0.5000000 0.0135135), wk = 0.0027933 k( 55) = ( 0.0000000 0.5000000 0.0270270), wk = 0.0027933 k( 56) = ( 0.0000000 0.5000000 0.0405405), wk = 0.0027933 k( 57) = ( 0.0000000 0.5000000 0.0540540), wk = 0.0027933 k( 58) = ( 0.0000000 0.5000000 0.0675676), wk = 0.0027933 k( 59) = ( 0.0000000 0.5000000 0.0810811), wk = 0.0027933 k( 60) = ( 0.0000000 0.5000000 0.0945946), wk = 0.0027933 k( 61) = ( 0.0000000 0.5000000 0.1081081), wk = 0.0027933 k( 62) = ( 0.0000000 0.5000000 0.1216216), wk = 0.0027933 k( 63) = ( 0.0000000 0.5000000 0.1351351), wk = 0.0027933 k( 64) = ( 0.0000000 0.5000000 0.1486486), wk = 0.0027933 k( 65) = ( 0.0000000 0.5000000 0.1621622), wk = 0.0027933 k( 66) = ( 0.0000000 0.5000000 0.1756757), wk = 0.0027933 k( 67) = ( 0.0000000 0.5000000 0.1891892), wk = 0.0027933 k( 68) = ( 0.0000000 0.5000000 0.2027027), wk = 0.0027933 k( 69) = ( 0.0000000 0.5000000 0.2162162), wk = 0.0027933 k( 70) = ( 0.0000000 0.5000000 0.2297297), wk = 0.0027933 k( 71) = ( 0.0000000 0.5000000 0.2432432), wk = 0.0027933 k( 72) = ( 0.0000000 0.5000000 0.2567568), wk = 0.0027933 k( 73) = ( 0.0000000 0.5000000 0.2702703), wk = 0.0027933 k( 74) = ( 0.0000000 0.5000000 0.2837838), wk = 0.0027933 k( 75) = ( 0.0000000 0.5000000 0.2972973), wk = 0.0027933 k( 76) = ( 0.0000000 0.5000000 0.3108108), wk = 0.0027933 k( 77) = ( 0.0000000 0.5000000 0.3243243), wk = 0.0027933 k( 78) = ( 0.0000000 0.5000000 0.3378378), wk = 0.0027933 k( 79) = ( 0.0000000 0.5000000 0.3513514), wk = 0.0027933 k( 80) = ( 0.0000000 0.5000000 0.3648649), wk = 0.0027933 k( 81) = ( 0.0000000 0.5000000 0.3783784), wk = 0.0027933 k( 82) = ( 0.0000000 0.5000000 0.3918919), wk = 0.0027933 k( 83) = ( 0.0000000 0.5000000 0.4054054), wk = 0.0027933 k( 84) = ( 0.0000000 0.5000000 0.4189189), wk = 0.0027933 k( 85) = ( 0.0000000 0.5000000 0.4324324), wk = 0.0027933 k( 86) = ( 0.0000000 0.5000000 0.4459459), wk = 0.0027933 k( 87) = ( 0.0000000 0.5000000 0.4594595), wk = 0.0027933 k( 88) = ( 0.0000000 0.5000000 0.4729730), wk = 0.0027933 k( 89) = ( 0.0000000 0.5000000 0.4864865), wk = 0.0027933 k( 90) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027933 k( 91) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027933 k( 92) = ( 0.0205133 0.4871800 0.5000000), wk = 0.0027933 k( 93) = ( 0.0410266 0.4743600 0.5000000), wk = 0.0027933 k( 94) = ( 0.0615399 0.4615399 0.5000000), wk = 0.0027933 k( 95) = ( 0.0820533 0.4487199 0.5000000), wk = 0.0027933 k( 96) = ( 0.1025666 0.4358999 0.5000000), wk = 0.0027933 k( 97) = ( 0.1230799 0.4230799 0.5000000), wk = 0.0027933 k( 98) = ( 0.1435932 0.4102599 0.5000000), wk = 0.0027933 k( 99) = ( 0.1641065 0.3974398 0.5000000), wk = 0.0027933 k( 100) = ( 0.1846198 0.3846198 0.5000000), wk = 0.0027933 k( 101) = ( 0.2051331 0.3717998 0.5000000), wk = 0.0027933 k( 102) = ( 0.2256464 0.3589798 0.5000000), wk = 0.0027933 k( 103) = ( 0.2461598 0.3461598 0.5000000), wk = 0.0027933 k( 104) = ( 0.2666731 0.3333397 0.5000000), wk = 0.0027933 k( 105) = ( 0.2871864 0.3205197 0.5000000), wk = 0.0027933 k( 106) = ( 0.3076997 0.3076997 0.5000000), wk = 0.0027933 k( 107) = ( 0.3076997 0.3076997 0.5000000), wk = 0.0027933 k( 108) = ( 0.2989083 0.2989083 0.5000000), wk = 0.0027933 k( 109) = ( 0.2901169 0.2901169 0.5000000), wk = 0.0027933 k( 110) = ( 0.2813254 0.2813254 0.5000000), wk = 0.0027933 k( 111) = ( 0.2725340 0.2725340 0.5000000), wk = 0.0027933 k( 112) = ( 0.2637426 0.2637426 0.5000000), wk = 0.0027933 k( 113) = ( 0.2549512 0.2549512 0.5000000), wk = 0.0027933 k( 114) = ( 0.2461598 0.2461598 0.5000000), wk = 0.0027933 k( 115) = ( 0.2373684 0.2373684 0.5000000), wk = 0.0027933 k( 116) = ( 0.2285769 0.2285769 0.5000000), wk = 0.0027933 k( 117) = ( 0.2197855 0.2197855 0.5000000), wk = 0.0027933 k( 118) = ( 0.2109941 0.2109941 0.5000000), wk = 0.0027933 k( 119) = ( 0.2022027 0.2022027 0.5000000), wk = 0.0027933 k( 120) = ( 0.1934112 0.1934112 0.5000000), wk = 0.0027933 k( 121) = ( 0.1846198 0.1846198 0.5000000), wk = 0.0027933 k( 122) = ( 0.1758284 0.1758284 0.5000000), wk = 0.0027933 k( 123) = ( 0.1670370 0.1670370 0.5000000), wk = 0.0027933 k( 124) = ( 0.1582456 0.1582456 0.5000000), wk = 0.0027933 k( 125) = ( 0.1494541 0.1494541 0.5000000), wk = 0.0027933 k( 126) = ( 0.1406627 0.1406627 0.5000000), wk = 0.0027933 k( 127) = ( 0.1318713 0.1318713 0.5000000), wk = 0.0027933 k( 128) = ( 0.1230799 0.1230799 0.5000000), wk = 0.0027933 k( 129) = ( 0.1142885 0.1142885 0.5000000), wk = 0.0027933 k( 130) = ( 0.1054970 0.1054970 0.5000000), wk = 0.0027933 k( 131) = ( 0.0967056 0.0967056 0.5000000), wk = 0.0027933 k( 132) = ( 0.0879142 0.0879142 0.5000000), wk = 0.0027933 k( 133) = ( 0.0791228 0.0791228 0.5000000), wk = 0.0027933 k( 134) = ( 0.0703314 0.0703314 0.5000000), wk = 0.0027933 k( 135) = ( 0.0615399 0.0615399 0.5000000), wk = 0.0027933 k( 136) = ( 0.0527485 0.0527485 0.5000000), wk = 0.0027933 k( 137) = ( 0.0439571 0.0439571 0.5000000), wk = 0.0027933 k( 138) = ( 0.0351657 0.0351657 0.5000000), wk = 0.0027933 k( 139) = ( 0.0263743 0.0263743 0.5000000), wk = 0.0027933 k( 140) = ( 0.0175828 0.0175828 0.5000000), wk = 0.0027933 k( 141) = ( 0.0087914 0.0087914 0.5000000), wk = 0.0027933 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 144) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0027933 k( 145) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0027933 k( 146) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0027933 k( 147) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0027933 k( 148) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0027933 k( 149) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0027933 k( 150) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0027933 k( 151) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0027933 k( 152) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0027933 k( 153) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0027933 k( 154) = ( 0.0000000 0.0000000 0.3513513), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0027933 k( 165) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0027933 k( 166) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0027933 k( 167) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0027933 k( 168) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0027933 k( 169) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0027933 k( 170) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0027933 k( 171) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0027933 k( 172) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0027933 k( 173) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0027933 k( 174) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0027933 k( 175) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0027933 k( 176) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0027933 k( 177) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0027933 k( 178) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0027933 k( 179) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0027933 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 182) = ( -0.0185185 0.0185185 0.0000000), wk = 0.0027933 k( 183) = ( -0.0370370 0.0370370 0.0000000), wk = 0.0027933 k( 184) = ( -0.0555556 0.0555556 -0.0000000), wk = 0.0027933 k( 185) = ( -0.0740741 0.0740741 0.0000000), wk = 0.0027933 k( 186) = ( -0.0925926 0.0925926 0.0000000), wk = 0.0027933 k( 187) = ( -0.1111111 0.1111111 -0.0000000), wk = 0.0027933 k( 188) = ( -0.1296296 0.1296296 -0.0000000), wk = 0.0027933 k( 189) = ( -0.1481482 0.1481482 0.0000000), wk = 0.0027933 k( 190) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0027933 k( 191) = ( -0.1851852 0.1851852 0.0000000), wk = 0.0027933 k( 192) = ( -0.2037037 0.2037037 -0.0000000), wk = 0.0027933 k( 193) = ( -0.2222222 0.2222222 -0.0000000), wk = 0.0027933 k( 194) = ( -0.2407407 0.2407407 0.0000000), wk = 0.0027933 k( 195) = ( -0.2592593 0.2592593 -0.0000000), wk = 0.0027933 k( 196) = ( -0.2777778 0.2777778 -0.0000000), wk = 0.0027933 k( 197) = ( -0.2962963 0.2962963 0.0000000), wk = 0.0027933 k( 198) = ( -0.3148148 0.3148148 0.0000000), wk = 0.0027933 k( 199) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0027933 k( 200) = ( -0.3518519 0.3518519 0.0000000), wk = 0.0027933 k( 201) = ( -0.3703704 0.3703704 0.0000000), wk = 0.0027933 k( 202) = ( -0.3888889 0.3888889 0.0000000), wk = 0.0027933 k( 203) = ( -0.4074074 0.4074074 0.0000000), wk = 0.0027933 k( 204) = ( -0.4259259 0.4259259 0.0000000), wk = 0.0027933 k( 205) = ( -0.4444444 0.4444444 -0.0000000), wk = 0.0027933 k( 206) = ( -0.4629630 0.4629630 0.0000000), wk = 0.0027933 k( 207) = ( -0.4814815 0.4814815 0.0000000), wk = 0.0027933 k( 208) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0027933 k( 209) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0027933 k( 210) = ( -0.4912591 0.5087409 0.0000000), wk = 0.0027933 k( 211) = ( -0.4825182 0.5174818 0.0000000), wk = 0.0027933 k( 212) = ( -0.4737772 0.5262228 0.0000000), wk = 0.0027933 k( 213) = ( -0.4650363 0.5349637 0.0000000), wk = 0.0027933 k( 214) = ( -0.4562954 0.5437046 0.0000000), wk = 0.0027933 k( 215) = ( -0.4475545 0.5524455 0.0000000), wk = 0.0027933 k( 216) = ( -0.4388135 0.5611865 0.0000000), wk = 0.0027933 k( 217) = ( -0.4300726 0.5699274 0.0000000), wk = 0.0027933 k( 218) = ( -0.4213317 0.5786683 0.0000000), wk = 0.0027933 k( 219) = ( -0.4125908 0.5874092 0.0000000), wk = 0.0027933 k( 220) = ( -0.4038499 0.5961502 0.0000000), wk = 0.0027933 k( 221) = ( -0.3951089 0.6048911 0.0000000), wk = 0.0027933 k( 222) = ( -0.3863680 0.6136320 0.0000000), wk = 0.0027933 k( 223) = ( -0.3776271 0.6223729 0.0000000), wk = 0.0027933 k( 224) = ( -0.3688862 0.6311138 0.0000000), wk = 0.0027933 k( 225) = ( -0.3601452 0.6398548 0.0000000), wk = 0.0027933 k( 226) = ( -0.3514043 0.6485957 0.0000000), wk = 0.0027933 k( 227) = ( -0.3426634 0.6573366 0.0000000), wk = 0.0027933 k( 228) = ( -0.3339225 0.6660775 0.0000000), wk = 0.0027933 k( 229) = ( -0.3251815 0.6748184 0.0000000), wk = 0.0027933 k( 230) = ( -0.3164406 0.6835594 0.0000000), wk = 0.0027933 k( 231) = ( -0.3076997 0.6923003 0.0000000), wk = 0.0027933 k( 232) = ( -0.3076997 0.6923003 0.0000000), wk = 0.0027933 k( 233) = ( -0.3076997 0.6923003 0.0135135), wk = 0.0027933 k( 234) = ( -0.3076997 0.6923003 0.0270270), wk = 0.0027933 k( 235) = ( -0.3076997 0.6923003 0.0405405), wk = 0.0027933 k( 236) = ( -0.3076997 0.6923003 0.0540541), wk = 0.0027933 k( 237) = ( -0.3076997 0.6923003 0.0675676), wk = 0.0027933 k( 238) = ( -0.3076997 0.6923003 0.0810811), wk = 0.0027933 k( 239) = ( -0.3076997 0.6923003 0.0945946), wk = 0.0027933 k( 240) = ( -0.3076997 0.6923003 0.1081081), wk = 0.0027933 k( 241) = ( -0.3076997 0.6923003 0.1216216), wk = 0.0027933 k( 242) = ( -0.3076997 0.6923003 0.1351351), wk = 0.0027933 k( 243) = ( -0.3076997 0.6923003 0.1486486), wk = 0.0027933 k( 244) = ( -0.3076997 0.6923003 0.1621622), wk = 0.0027933 k( 245) = ( -0.3076997 0.6923003 0.1756757), wk = 0.0027933 k( 246) = ( -0.3076997 0.6923003 0.1891892), wk = 0.0027933 k( 247) = ( -0.3076997 0.6923003 0.2027027), wk = 0.0027933 k( 248) = ( -0.3076997 0.6923003 0.2162162), wk = 0.0027933 k( 249) = ( -0.3076997 0.6923003 0.2297297), wk = 0.0027933 k( 250) = ( -0.3076997 0.6923003 0.2432432), wk = 0.0027933 k( 251) = ( -0.3076997 0.6923003 0.2567568), wk = 0.0027933 k( 252) = ( -0.3076997 0.6923003 0.2702703), wk = 0.0027933 k( 253) = ( -0.3076997 0.6923003 0.2837838), wk = 0.0027933 k( 254) = ( -0.3076997 0.6923003 0.2972973), wk = 0.0027933 k( 255) = ( -0.3076997 0.6923003 0.3108108), wk = 0.0027933 k( 256) = ( -0.3076997 0.6923003 0.3243243), wk = 0.0027933 k( 257) = ( -0.3076997 0.6923003 0.3378378), wk = 0.0027933 k( 258) = ( -0.3076997 0.6923003 0.3513513), wk = 0.0027933 k( 259) = ( -0.3076997 0.6923003 0.3648649), wk = 0.0027933 k( 260) = ( -0.3076997 0.6923003 0.3783784), wk = 0.0027933 k( 261) = ( -0.3076997 0.6923003 0.3918919), wk = 0.0027933 k( 262) = ( -0.3076997 0.6923003 0.4054054), wk = 0.0027933 k( 263) = ( -0.3076997 0.6923003 0.4189189), wk = 0.0027933 k( 264) = ( -0.3076997 0.6923003 0.4324324), wk = 0.0027933 k( 265) = ( -0.3076997 0.6923003 0.4459459), wk = 0.0027933 k( 266) = ( -0.3076997 0.6923003 0.4594595), wk = 0.0027933 k( 267) = ( -0.3076997 0.6923003 0.4729730), wk = 0.0027933 k( 268) = ( -0.3076997 0.6923003 0.4864865), wk = 0.0027933 k( 269) = ( -0.3076997 0.6923003 0.5000000), wk = 0.0027933 k( 270) = ( -0.3076997 0.6923003 0.5000000), wk = 0.0027933 k( 271) = ( -0.3164406 0.6835594 0.5000000), wk = 0.0027933 k( 272) = ( -0.3251815 0.6748184 0.5000000), wk = 0.0027933 k( 273) = ( -0.3339225 0.6660775 0.5000000), wk = 0.0027933 k( 274) = ( -0.3426634 0.6573366 0.5000000), wk = 0.0027933 k( 275) = ( -0.3514043 0.6485957 0.5000000), wk = 0.0027933 k( 276) = ( -0.3601452 0.6398548 0.5000000), wk = 0.0027933 k( 277) = ( -0.3688862 0.6311138 0.5000000), wk = 0.0027933 k( 278) = ( -0.3776271 0.6223729 0.5000000), wk = 0.0027933 k( 279) = ( -0.3863680 0.6136320 0.5000000), wk = 0.0027933 k( 280) = ( -0.3951089 0.6048911 0.5000000), wk = 0.0027933 k( 281) = ( -0.4038499 0.5961502 0.5000000), wk = 0.0027933 k( 282) = ( -0.4125908 0.5874092 0.5000000), wk = 0.0027933 k( 283) = ( -0.4213317 0.5786683 0.5000000), wk = 0.0027933 k( 284) = ( -0.4300726 0.5699274 0.5000000), wk = 0.0027933 k( 285) = ( -0.4388135 0.5611865 0.5000000), wk = 0.0027933 k( 286) = ( -0.4475545 0.5524455 0.5000000), wk = 0.0027933 k( 287) = ( -0.4562954 0.5437046 0.5000000), wk = 0.0027933 k( 288) = ( -0.4650363 0.5349637 0.5000000), wk = 0.0027933 k( 289) = ( -0.4737772 0.5262228 0.5000000), wk = 0.0027933 k( 290) = ( -0.4825182 0.5174818 0.5000000), wk = 0.0027933 k( 291) = ( -0.4912591 0.5087409 0.5000000), wk = 0.0027933 k( 292) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 k( 293) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 k( 294) = ( -0.5000000 0.5000000 0.4864865), wk = 0.0027933 k( 295) = ( -0.5000000 0.5000000 0.4729730), wk = 0.0027933 k( 296) = ( -0.5000000 0.5000000 0.4594595), wk = 0.0027933 k( 297) = ( -0.5000000 0.5000000 0.4459459), wk = 0.0027933 k( 298) = ( -0.5000000 0.5000000 0.4324324), wk = 0.0027933 k( 299) = ( -0.5000000 0.5000000 0.4189189), wk = 0.0027933 k( 300) = ( -0.5000000 0.5000000 0.4054054), wk = 0.0027933 k( 301) = ( -0.5000000 0.5000000 0.3918919), wk = 0.0027933 k( 302) = ( -0.5000000 0.5000000 0.3783784), wk = 0.0027933 k( 303) = ( -0.5000000 0.5000000 0.3648649), wk = 0.0027933 k( 304) = ( -0.5000000 0.5000000 0.3513513), wk = 0.0027933 k( 305) = ( -0.5000000 0.5000000 0.3378378), wk = 0.0027933 k( 306) = ( -0.5000000 0.5000000 0.3243243), wk = 0.0027933 k( 307) = ( -0.5000000 0.5000000 0.3108108), wk = 0.0027933 k( 308) = ( -0.5000000 0.5000000 0.2972973), wk = 0.0027933 k( 309) = ( -0.5000000 0.5000000 0.2837838), wk = 0.0027933 k( 310) = ( -0.5000000 0.5000000 0.2702703), wk = 0.0027933 k( 311) = ( -0.5000000 0.5000000 0.2567568), wk = 0.0027933 k( 312) = ( -0.5000000 0.5000000 0.2432432), wk = 0.0027933 k( 313) = ( -0.5000000 0.5000000 0.2297297), wk = 0.0027933 k( 314) = ( -0.5000000 0.5000000 0.2162162), wk = 0.0027933 k( 315) = ( -0.5000000 0.5000000 0.2027027), wk = 0.0027933 k( 316) = ( -0.5000000 0.5000000 0.1891892), wk = 0.0027933 k( 317) = ( -0.5000000 0.5000000 0.1756757), wk = 0.0027933 k( 318) = ( -0.5000000 0.5000000 0.1621622), wk = 0.0027933 k( 319) = ( -0.5000000 0.5000000 0.1486486), wk = 0.0027933 k( 320) = ( -0.5000000 0.5000000 0.1351351), wk = 0.0027933 k( 321) = ( -0.5000000 0.5000000 0.1216216), wk = 0.0027933 k( 322) = ( -0.5000000 0.5000000 0.1081081), wk = 0.0027933 k( 323) = ( -0.5000000 0.5000000 0.0945946), wk = 0.0027933 k( 324) = ( -0.5000000 0.5000000 0.0810811), wk = 0.0027933 k( 325) = ( -0.5000000 0.5000000 0.0675676), wk = 0.0027933 k( 326) = ( -0.5000000 0.5000000 0.0540540), wk = 0.0027933 k( 327) = ( -0.5000000 0.5000000 0.0405405), wk = 0.0027933 k( 328) = ( -0.5000000 0.5000000 0.0270270), wk = 0.0027933 k( 329) = ( -0.5000000 0.5000000 0.0135135), wk = 0.0027933 k( 330) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0027933 k( 331) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 332) = ( -0.0185185 0.0185185 0.5000000), wk = 0.0027933 k( 333) = ( -0.0370370 0.0370370 0.5000000), wk = 0.0027933 k( 334) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0027933 k( 335) = ( -0.0740741 0.0740741 0.5000000), wk = 0.0027933 k( 336) = ( -0.0925926 0.0925926 0.5000000), wk = 0.0027933 k( 337) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0027933 k( 338) = ( -0.1296296 0.1296296 0.5000000), wk = 0.0027933 k( 339) = ( -0.1481482 0.1481482 0.5000000), wk = 0.0027933 k( 340) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0027933 k( 341) = ( -0.1851852 0.1851852 0.5000000), wk = 0.0027933 k( 342) = ( -0.2037037 0.2037037 0.5000000), wk = 0.0027933 k( 343) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0027933 k( 344) = ( -0.2407407 0.2407407 0.5000000), wk = 0.0027933 k( 345) = ( -0.2592593 0.2592593 0.5000000), wk = 0.0027933 k( 346) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0027933 k( 347) = ( -0.2962963 0.2962963 0.5000000), wk = 0.0027933 k( 348) = ( -0.3148148 0.3148148 0.5000000), wk = 0.0027933 k( 349) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0027933 k( 350) = ( -0.3518519 0.3518519 0.5000000), wk = 0.0027933 k( 351) = ( -0.3703704 0.3703704 0.5000000), wk = 0.0027933 k( 352) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0027933 k( 353) = ( -0.4074074 0.4074074 0.5000000), wk = 0.0027933 k( 354) = ( -0.4259259 0.4259259 0.5000000), wk = 0.0027933 k( 355) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0027933 k( 356) = ( -0.4629630 0.4629630 0.5000000), wk = 0.0027933 k( 357) = ( -0.4814815 0.4814815 0.5000000), wk = 0.0027933 k( 358) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 Dense grid: 93623 G-vectors FFT dimensions: ( 72, 72, 48) Smooth grid: 40531 G-vectors FFT dimensions: ( 54, 54, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 214, 52) NL pseudopotentials 0.25 Mb ( 107, 152) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1951) G-vector shells 0.01 Mb ( 978) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.68 Mb ( 214, 208) Each subspace H/S matrix 0.66 Mb ( 208, 208) Each matrix 0.24 Mb ( 152, 2, 52) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./N3Cl.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.7 secs Computing kpt #: 2 total cpu time spent up to now is 45.4 secs Computing kpt #: 3 total cpu time spent up to now is 47.4 secs Computing kpt #: 4 total cpu time spent up to now is 49.7 secs Computing kpt #: 5 total cpu time spent up to now is 52.0 secs Computing kpt #: 6 total cpu time spent up to now is 54.3 secs Computing kpt #: 7 total cpu time spent up to now is 56.6 secs Computing kpt #: 8 total cpu time spent up to now is 59.2 secs Computing kpt #: 9 total cpu time spent up to now is 61.5 secs Computing kpt #: 10 total cpu time spent up to now is 63.9 secs Computing kpt #: 11 total cpu time spent up to now is 66.2 secs Computing kpt #: 12 total cpu time spent up to now is 68.5 secs Computing kpt #: 13 total cpu time spent up to now is 70.6 secs Computing kpt #: 14 total cpu time spent up to now is 73.8 secs Computing kpt #: 15 total cpu time spent up to now is 76.1 secs Computing kpt #: 16 total cpu time spent up to now is 78.4 secs Computing kpt #: 17 total cpu time spent up to now is 80.6 secs Computing kpt #: 18 total cpu time spent up to now is 82.7 secs Computing kpt #: 19 total cpu time spent up to now is 86.0 secs Computing kpt #: 20 total cpu time spent up to now is 88.9 secs Computing kpt #: 21 total cpu time spent up to now is 92.0 secs Computing kpt #: 22 total cpu time spent up to now is 95.6 secs Computing kpt #: 23 total cpu time spent up to now is 98.0 secs Computing kpt #: 24 total cpu time spent up to now is 101.3 secs Computing kpt #: 25 total cpu time spent up to now is 103.6 secs Computing kpt #: 26 total cpu time spent up to now is 105.6 secs Computing kpt #: 27 total cpu time spent up to now is 107.9 secs Computing kpt #: 28 total cpu time spent up to now is 110.2 secs Computing kpt #: 29 total cpu time spent up to now is 112.3 secs Computing kpt #: 30 total cpu time spent up to now is 114.4 secs Computing kpt #: 31 total cpu time spent up to now is 116.6 secs Computing kpt #: 32 total cpu time spent up to now is 118.7 secs Computing kpt #: 33 total cpu time spent up to now is 121.0 secs Computing kpt #: 34 total cpu time spent up to now is 123.5 secs Computing kpt #: 35 total cpu time spent up to now is 126.4 secs Computing kpt #: 36 total cpu time spent up to now is 128.4 secs Computing kpt #: 37 total cpu time spent up to now is 130.5 secs Computing kpt #: 38 total cpu time spent up to now is 133.0 secs Computing kpt #: 39 total cpu time spent up to now is 135.0 secs Computing kpt #: 40 total cpu time spent up to now is 137.2 secs Computing kpt #: 41 total cpu time spent up to now is 139.3 secs Computing kpt #: 42 total cpu time spent up to now is 141.3 secs Computing kpt #: 43 total cpu time spent up to now is 144.3 secs Computing kpt #: 44 total cpu time spent up to now is 146.8 secs Computing kpt #: 45 total cpu time spent up to now is 148.8 secs Computing kpt #: 46 total cpu time spent up to now is 150.8 secs Computing kpt #: 47 total cpu time spent up to now is 153.2 secs Computing kpt #: 48 total cpu time spent up to now is 155.8 secs Computing kpt #: 49 total cpu time spent up to now is 157.9 secs Computing kpt #: 50 total cpu time spent up to now is 160.0 secs Computing kpt #: 51 total cpu time spent up to now is 162.0 secs Computing kpt #: 52 total cpu time spent up to now is 164.9 secs Computing kpt #: 53 total cpu time spent up to now is 166.9 secs Computing kpt #: 54 total cpu time spent up to now is 169.5 secs Computing kpt #: 55 total cpu time spent up to now is 173.2 secs Computing kpt #: 56 total cpu time spent up to now is 176.1 secs Computing kpt #: 57 total cpu time spent up to now is 178.1 secs Computing kpt #: 58 total cpu time spent up to now is 180.7 secs Computing kpt #: 59 total cpu time spent up to now is 182.9 secs Computing kpt #: 60 total cpu time spent up to now is 185.9 secs Computing kpt #: 61 total cpu time spent up to now is 188.7 secs Computing kpt #: 62 total cpu time spent up to now is 191.0 secs Computing kpt #: 63 total cpu time spent up to now is 193.9 secs Computing kpt #: 64 total cpu time spent up to now is 196.0 secs Computing kpt #: 65 total cpu time spent up to now is 198.5 secs Computing kpt #: 66 total cpu time spent up to now is 201.7 secs Computing kpt #: 67 total cpu time spent up to now is 204.1 secs Computing kpt #: 68 total cpu time spent up to now is 207.2 secs Computing kpt #: 69 total cpu time spent up to now is 209.3 secs Computing kpt #: 70 total cpu time spent up to now is 211.5 secs Computing kpt #: 71 total cpu time spent up to now is 213.8 secs Computing kpt #: 72 total cpu time spent up to now is 216.0 secs Computing kpt #: 73 total cpu time spent up to now is 218.4 secs Computing kpt #: 74 total cpu time spent up to now is 221.0 secs Computing kpt #: 75 total cpu time spent up to now is 223.8 secs Computing kpt #: 76 total cpu time spent up to now is 225.9 secs Computing kpt #: 77 total cpu time spent up to now is 228.1 secs Computing kpt #: 78 total cpu time spent up to now is 230.2 secs Computing kpt #: 79 total cpu time spent up to now is 232.7 secs Computing kpt #: 80 total cpu time spent up to now is 234.9 secs Computing kpt #: 81 total cpu time spent up to now is 237.1 secs Computing kpt #: 82 total cpu time spent up to now is 239.2 secs Computing kpt #: 83 total cpu time spent up to now is 241.6 secs Computing kpt #: 84 total cpu time spent up to now is 245.2 secs Computing kpt #: 85 total cpu time spent up to now is 249.5 secs Computing kpt #: 86 total cpu time spent up to now is 251.5 secs Computing kpt #: 87 total cpu time spent up to now is 253.6 secs Computing kpt #: 88 total cpu time spent up to now is 256.0 secs Computing kpt #: 89 total cpu time spent up to now is 258.4 secs Computing kpt #: 90 total cpu time spent up to now is 261.3 secs Computing kpt #: 91 total cpu time spent up to now is 265.0 secs Computing kpt #: 92 total cpu time spent up to now is 267.1 secs Computing kpt #: 93 total cpu time spent up to now is 269.4 secs Computing kpt #: 94 total cpu time spent up to now is 271.3 secs Computing kpt #: 95 total cpu time spent up to now is 273.3 secs Computing kpt #: 96 total cpu time spent up to now is 278.1 secs Computing kpt #: 97 total cpu time spent up to now is 280.4 secs Computing kpt #: 98 total cpu time spent up to now is 283.8 secs Computing kpt #: 99 total cpu time spent up to now is 287.2 secs Computing kpt #: 100 total cpu time spent up to now is 290.5 secs Computing kpt #: 101 total cpu time spent up to now is 292.7 secs Computing kpt #: 102 total cpu time spent up to now is 294.7 secs Computing kpt #: 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cpu time spent up to now is 330.3 secs Computing kpt #: 119 total cpu time spent up to now is 332.3 secs Computing kpt #: 120 total cpu time spent up to now is 334.9 secs Computing kpt #: 121 total cpu time spent up to now is 337.2 secs Computing kpt #: 122 total cpu time spent up to now is 339.6 secs Computing kpt #: 123 total cpu time spent up to now is 341.8 secs Computing kpt #: 124 total cpu time spent up to now is 343.9 secs Computing kpt #: 125 total cpu time spent up to now is 346.3 secs Computing kpt #: 126 total cpu time spent up to now is 348.3 secs Computing kpt #: 127 total cpu time spent up to now is 350.2 secs Computing kpt #: 128 total cpu time spent up to now is 353.3 secs Computing kpt #: 129 total cpu time spent up to now is 357.2 secs Computing kpt #: 130 total cpu time spent up to now is 359.4 secs Computing kpt #: 131 total cpu time spent up to now is 363.6 secs Computing kpt #: 132 total cpu time spent up to now is 365.6 secs Computing kpt #: 133 total cpu time spent up to now is 367.4 secs Computing kpt #: 134 total cpu time spent up to now is 369.6 secs Computing kpt #: 135 total cpu time spent up to now is 371.7 secs Computing kpt #: 136 total cpu time spent up to now is 374.3 secs Computing kpt #: 137 total cpu time spent up to now is 376.4 secs Computing kpt #: 138 total cpu time spent up to now is 378.2 secs Computing kpt #: 139 total cpu time spent up to now is 380.0 secs Computing kpt #: 140 total cpu time spent up to now is 383.4 secs Computing kpt #: 141 total cpu time spent up to now is 386.6 secs Computing kpt #: 142 total cpu time spent up to now is 388.3 secs Computing kpt #: 143 total cpu time spent up to now is 390.2 secs Computing kpt #: 144 total cpu time spent up to now is 392.4 secs Computing kpt #: 145 total cpu time spent up to now is 394.6 secs Computing kpt #: 146 total cpu time spent up to now is 396.3 secs Computing kpt #: 147 total cpu time spent up to now is 398.2 secs Computing kpt #: 148 total cpu time spent up to now is 400.7 secs Computing kpt #: 149 total cpu time spent up to now is 402.5 secs Computing kpt #: 150 total cpu time spent up to now is 404.4 secs Computing kpt #: 151 total cpu time spent up to now is 406.4 secs Computing kpt #: 152 total cpu time spent up to now is 408.3 secs Computing kpt #: 153 total cpu time spent up to now is 410.1 secs Computing kpt #: 154 total cpu time spent up to now is 412.8 secs Computing kpt #: 155 total cpu time spent up to now is 415.5 secs Computing kpt #: 156 total cpu time spent up to now is 418.8 secs Computing kpt #: 157 total cpu time spent up to now is 420.7 secs Computing kpt #: 158 total cpu time spent up to now is 423.4 secs Computing kpt #: 159 total cpu time spent up to now is 426.6 secs Computing kpt #: 160 total cpu time spent up to now is 429.0 secs Computing kpt #: 161 total cpu time spent up to now is 431.2 secs Computing kpt #: 162 total cpu time spent up to now is 434.6 secs Computing kpt #: 163 total cpu time spent up to now is 436.9 secs Computing kpt #: 164 total cpu time spent up to now is 438.9 secs Computing kpt #: 165 total cpu time spent up to now is 441.7 secs Computing kpt #: 166 total cpu time spent up to now is 444.6 secs Computing kpt #: 167 total cpu time spent up to now is 446.6 secs Computing kpt #: 168 total cpu time spent up to now is 449.0 secs Computing kpt #: 169 total cpu time spent up to now is 451.9 secs Computing kpt #: 170 total cpu time spent up to now is 454.2 secs Computing kpt #: 171 total cpu time spent up to now is 457.4 secs Computing kpt #: 172 total cpu time spent up to now is 461.0 secs Computing kpt #: 173 total cpu time spent up to now is 463.0 secs Computing kpt #: 174 total cpu time spent up to now is 465.4 secs Computing kpt #: 175 total cpu time spent up to now is 467.5 secs Computing kpt #: 176 total cpu time spent up to now is 469.5 secs Computing kpt #: 177 total cpu time spent up to now is 471.4 secs Computing kpt #: 178 total cpu time spent up to now is 474.1 secs Computing kpt #: 179 total cpu time spent up to now is 476.3 secs Computing kpt #: 180 total cpu time spent up to now is 478.3 secs Computing kpt #: 181 total cpu time spent up to now is 480.2 secs Computing kpt #: 182 total cpu time spent up to now is 482.6 secs Computing kpt #: 183 total cpu time spent up to now is 484.6 secs Computing kpt #: 184 total cpu time spent up to now is 486.6 secs Computing kpt #: 185 total cpu time spent up to now is 489.4 secs Computing kpt #: 186 total cpu time spent up to now is 491.8 secs Computing kpt #: 187 total cpu time spent up to now is 494.3 secs Computing kpt #: 188 total cpu time spent up to now is 498.9 secs Computing kpt #: 189 total cpu time spent up to now is 502.2 secs Computing kpt #: 190 total cpu time spent up to now is 504.3 secs Computing kpt #: 191 total cpu time spent up to now is 506.4 secs Computing kpt #: 192 total cpu time spent up to now is 509.3 secs Computing kpt #: 193 total cpu time spent up to now is 511.7 secs Computing kpt #: 194 total cpu time spent up to now is 515.4 secs Computing kpt #: 195 total cpu time spent up to now is 517.8 secs Computing kpt #: 196 total cpu time spent up to now is 519.8 secs Computing kpt #: 197 total cpu time spent up to now is 522.4 secs Computing kpt #: 198 total cpu time spent up to now is 525.4 secs Computing kpt #: 199 total cpu time spent up to now is 528.0 secs Computing kpt #: 200 total cpu time spent up to now is 531.4 secs Computing kpt #: 201 total cpu time spent up to now is 533.6 secs Computing kpt #: 202 total cpu time spent up to now is 537.5 secs Computing kpt #: 203 total cpu time spent up to now is 540.0 secs Computing kpt #: 204 total cpu time spent up to now is 543.7 secs Computing kpt #: 205 total cpu time spent up to now is 546.0 secs Computing kpt #: 206 total cpu time spent up to now is 548.0 secs Computing kpt #: 207 total cpu time spent up to now is 550.4 secs Computing kpt #: 208 total cpu time spent up to now is 553.5 secs Computing kpt #: 209 total cpu time spent up to now is 556.8 secs Computing kpt #: 210 total cpu time spent up to now is 558.7 secs Computing kpt #: 211 total cpu time spent up to now is 561.4 secs Computing kpt #: 212 total cpu time spent up to now is 564.1 secs Computing kpt #: 213 total cpu time spent up to now is 566.7 secs Computing kpt #: 214 total cpu time spent up to now is 568.6 secs Computing kpt #: 215 total cpu time spent up to now is 570.6 secs Computing kpt #: 216 total cpu time spent up to now is 572.8 secs Computing kpt #: 217 total cpu time spent up to now is 575.3 secs Computing kpt #: 218 total cpu time spent up to now is 577.3 secs Computing kpt #: 219 total cpu time spent up to now is 579.9 secs Computing kpt #: 220 total cpu time spent up to now is 582.9 secs Computing kpt #: 221 total cpu time spent up to now is 586.0 secs Computing kpt #: 222 total cpu time spent up to now is 588.6 secs Computing kpt #: 223 total cpu time spent up to now is 591.2 secs Computing kpt #: 224 total cpu time spent up to now is 593.3 secs Computing kpt #: 225 total cpu time spent up to now is 595.3 secs Computing kpt #: 226 total cpu time spent up to now is 598.4 secs Computing kpt #: 227 total cpu time spent up to now is 600.4 secs Computing kpt #: 228 total cpu time spent up to now is 602.3 secs Computing kpt #: 229 total cpu time spent up to now is 605.2 secs Computing kpt #: 230 total cpu time spent up to now is 607.7 secs Computing kpt #: 231 total cpu time spent up to now is 610.1 secs Computing kpt #: 232 total cpu time spent up to now is 612.9 secs Computing kpt #: 233 total cpu time spent up to now is 614.7 secs Computing kpt #: 234 total cpu time spent up to now is 617.1 secs Computing kpt #: 235 total cpu time spent up to now is 619.8 secs Computing kpt #: 236 total cpu time spent up to now is 624.7 secs Computing kpt #: 237 total cpu time spent up to now is 627.5 secs Computing kpt #: 238 total cpu time spent up to now is 629.6 secs Computing kpt #: 239 total cpu time spent up to now is 631.7 secs Computing kpt #: 240 total cpu time spent up to now is 633.6 secs Computing kpt #: 241 total cpu time spent up to now is 635.6 secs Computing kpt #: 242 total cpu time spent up to now is 637.7 secs Computing kpt #: 243 total cpu time spent up to now is 639.9 secs Computing kpt #: 244 total cpu time spent up to now is 642.1 secs Computing kpt #: 245 total cpu time spent up to now is 644.1 secs Computing kpt #: 246 total cpu time spent up to now is 646.5 secs Computing kpt #: 247 total cpu time spent up to now is 648.7 secs Computing kpt #: 248 total cpu time spent up to now is 651.1 secs Computing kpt #: 249 total cpu time spent up to now is 653.1 secs Computing kpt #: 250 total cpu time spent up to now is 655.8 secs Computing kpt #: 251 total cpu time spent up to now is 658.0 secs Computing kpt #: 252 total cpu time spent up to now is 660.1 secs Computing kpt #: 253 total cpu time spent up to now is 663.1 secs Computing kpt #: 254 total cpu time spent up to now is 666.5 secs Computing kpt #: 255 total cpu time spent up to now is 668.6 secs Computing kpt #: 256 total cpu time spent up to now is 671.4 secs Computing kpt #: 257 total cpu time spent up to now is 673.8 secs Computing kpt #: 258 total cpu time spent up to now is 675.9 secs Computing kpt #: 259 total cpu time spent up to now is 678.3 secs Computing kpt #: 260 total cpu time spent up to now is 680.8 secs Computing kpt #: 261 total cpu time spent up to now is 684.5 secs Computing kpt #: 262 total cpu time spent up to now is 688.8 secs Computing kpt #: 263 total cpu time spent up to now is 690.8 secs Computing kpt #: 264 total cpu time spent up to now is 694.3 secs Computing kpt #: 265 total cpu time spent up to now is 696.7 secs Computing kpt #: 266 total cpu time spent up to now is 700.0 secs Computing kpt #: 267 total cpu time spent up to now is 702.4 secs Computing kpt #: 268 total cpu time spent up to now is 704.4 secs Computing kpt #: 269 total cpu time spent up to now is 706.4 secs Computing kpt #: 270 total cpu time spent up to now is 708.6 secs Computing kpt #: 271 total cpu time spent up to now is 711.3 secs Computing kpt #: 272 total cpu time spent up to now is 713.4 secs Computing kpt #: 273 total cpu time spent up to now is 715.4 secs Computing kpt #: 274 total cpu time spent up to now is 717.7 secs Computing kpt #: 275 total cpu time spent up to now is 719.8 secs Computing kpt #: 276 total cpu time spent up to now is 722.8 secs Computing kpt #: 277 total cpu time spent up to now is 725.0 secs Computing kpt #: 278 total cpu time spent up to now is 727.1 secs Computing kpt #: 279 total cpu time spent up to now is 729.1 secs Computing kpt #: 280 total cpu time spent up to now is 731.1 secs Computing kpt #: 281 total cpu time spent up to now is 734.3 secs Computing kpt #: 282 total cpu time spent up to now is 736.9 secs Computing kpt #: 283 total cpu time spent up to now is 739.0 secs Computing kpt #: 284 total cpu time spent up to now is 741.0 secs Computing kpt #: 285 total cpu time spent up to now is 743.8 secs Computing kpt #: 286 total cpu time spent up to now is 746.3 secs Computing kpt #: 287 total cpu time spent up to now is 750.3 secs Computing kpt #: 288 total cpu time spent up to now is 752.4 secs Computing kpt #: 289 total cpu time spent up to now is 754.5 secs Computing kpt #: 290 total cpu time spent up to now is 756.7 secs Computing kpt #: 291 total cpu time spent up to now is 759.2 secs Computing kpt #: 292 total cpu time spent up to now is 762.3 secs Computing kpt #: 293 total cpu time spent up to now is 764.3 secs Computing kpt #: 294 total cpu time spent up to now is 766.2 secs Computing kpt #: 295 total cpu time spent up to now is 768.1 secs Computing kpt #: 296 total cpu time spent up to now is 771.2 secs Computing kpt #: 297 total cpu time spent up to now is 774.1 secs Computing kpt #: 298 total cpu time spent up to now is 777.0 secs Computing kpt #: 299 total cpu time spent up to now is 779.1 secs Computing kpt #: 300 total cpu time spent up to now is 781.3 secs Computing kpt #: 301 total cpu time spent up to now is 783.5 secs Computing kpt #: 302 total cpu time spent up to now is 786.6 secs Computing kpt #: 303 total cpu time spent up to now is 789.1 secs Computing kpt #: 304 total cpu time spent up to now is 791.5 secs Computing kpt #: 305 total cpu time spent up to now is 793.7 secs Computing kpt #: 306 total cpu time spent up to now is 796.3 secs Computing kpt #: 307 total cpu time spent up to now is 798.6 secs Computing kpt #: 308 total cpu time spent up to now is 800.6 secs Computing kpt #: 309 total cpu time spent up to now is 803.0 secs Computing kpt #: 310 total cpu time spent up to now is 805.6 secs Computing kpt #: 311 total cpu time spent up to now is 807.6 secs Computing kpt #: 312 total cpu time spent up to now is 809.6 secs Computing kpt #: 313 total cpu time spent up to now is 812.2 secs Computing kpt #: 314 total cpu time spent up to now is 814.5 secs Computing kpt #: 315 total cpu time spent up to now is 816.4 secs Computing kpt #: 316 total cpu time spent up to now is 818.8 secs Computing kpt #: 317 total cpu time spent up to now is 821.1 secs Computing kpt #: 318 total cpu time spent up to now is 823.0 secs Computing kpt #: 319 total cpu time spent up to now is 825.5 secs Computing kpt #: 320 total cpu time spent up to now is 828.1 secs Computing kpt #: 321 total cpu time spent up to now is 830.7 secs Computing kpt #: 322 total cpu time spent up to now is 835.0 secs Computing kpt #: 323 total cpu time spent up to now is 840.2 secs Computing kpt #: 324 total cpu time spent up to now is 842.4 secs Computing kpt #: 325 total cpu time spent up to now is 844.5 secs Computing kpt #: 326 total cpu time spent up to now is 847.8 secs Computing kpt #: 327 total cpu time spent up to now is 850.9 secs Computing kpt #: 328 total cpu time spent up to now is 852.8 secs Computing kpt #: 329 total cpu time spent up to now is 854.8 secs Computing kpt #: 330 total cpu time spent up to now is 857.8 secs Computing kpt #: 331 total cpu time spent up to now is 860.3 secs Computing kpt #: 332 total cpu time spent up to now is 862.0 secs Computing kpt #: 333 total cpu time spent up to now is 864.2 secs Computing kpt #: 334 total cpu time spent up to now is 866.5 secs Computing kpt #: 335 total cpu time spent up to now is 868.6 secs Computing kpt #: 336 total cpu time spent up to now is 871.9 secs Computing kpt #: 337 total cpu time spent up to now is 874.6 secs Computing kpt #: 338 total cpu time spent up to now is 876.6 secs Computing kpt #: 339 total cpu time spent up to now is 879.6 secs Computing kpt #: 340 total cpu time spent up to now is 881.4 secs Computing kpt #: 341 total cpu time spent up to now is 883.2 secs Computing kpt #: 342 total cpu time spent up to now is 884.9 secs Computing kpt #: 343 total cpu time spent up to now is 886.6 secs Computing kpt #: 344 total cpu time spent up to now is 888.8 secs Computing kpt #: 345 total cpu time spent up to now is 890.6 secs Computing kpt #: 346 total cpu time spent up to now is 892.8 secs Computing kpt #: 347 total cpu time spent up to now is 895.3 secs Computing kpt #: 348 total cpu time spent up to now is 897.6 secs Computing kpt #: 349 total cpu time spent up to now is 899.7 secs Computing kpt #: 350 total cpu time spent up to now is 901.8 secs Computing kpt #: 351 total cpu time spent up to now is 904.1 secs Computing kpt #: 352 total cpu time spent up to now is 905.9 secs Computing kpt #: 353 total cpu time spent up to now is 908.0 secs Computing kpt #: 354 total cpu time spent up to now is 910.2 secs Computing kpt #: 355 total cpu time spent up to now is 913.4 secs Computing kpt #: 356 total cpu time spent up to now is 916.3 secs Computing kpt #: 357 total cpu time spent up to now is 918.1 secs Computing kpt #: 358 total cpu time spent up to now is 920.5 secs ethr = 2.27E-11, avg # of iterations = 31.3 total cpu time spent up to now is 920.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5061 PWs) bands (ev): -22.4957 -22.4957 -22.4181 -22.4181 -18.4762 -18.4762 -18.4515 -18.4515 -14.1016 -14.1016 -13.9414 -13.9414 -7.1633 -7.1633 -6.7523 -6.7523 -6.4541 -6.4541 -6.2507 -6.2507 -6.0363 -6.0363 -5.8296 -5.8296 -4.5265 -4.5265 -3.8921 -3.8921 -2.3660 -2.3660 -2.2990 -2.2990 -2.0066 -2.0066 -1.6859 -1.6859 -0.8300 -0.8300 -0.7415 -0.7415 0.9070 0.9070 0.9079 0.9079 3.4009 3.4009 3.6777 3.6777 5.6287 5.6287 5.6620 5.6620 k = 0.0088 0.0183-0.0000 ( 5061 PWs) bands (ev): -22.4957 -22.4957 -22.4181 -22.4181 -18.4762 -18.4762 -18.4515 -18.4515 -14.1016 -14.1016 -13.9414 -13.9414 -7.1632 -7.1632 -6.7524 -6.7524 -6.4537 -6.4535 -6.2506 -6.2503 -6.0368 -6.0365 -5.8302 -5.8299 -4.5268 -4.5267 -3.8921 -3.8920 -2.3658 -2.3658 -2.2993 -2.2988 -2.0069 -2.0066 -1.6864 -1.6861 -0.8303 -0.8297 -0.7419 -0.7404 0.9065 0.9072 0.9078 0.9081 3.4011 3.4013 3.6775 3.6779 5.6238 5.6290 5.6623 5.6681 k = 0.0176 0.0366-0.0000 ( 5065 PWs) bands (ev): -22.4955 -22.4955 -22.4183 -22.4183 -18.4762 -18.4762 -18.4516 -18.4516 -14.1016 -14.1016 -13.9413 -13.9413 -7.1629 -7.1629 -6.7529 -6.7529 -6.4523 -6.4519 -6.2499 -6.2494 -6.0380 -6.0373 -5.8315 -5.8309 -4.5276 -4.5273 -3.8919 -3.8918 -2.3651 -2.3650 -2.2997 -2.2985 -2.0074 -2.0068 -1.6876 -1.6870 -0.8307 -0.8294 -0.7417 -0.7387 0.9058 0.9071 0.9075 0.9081 3.4019 3.4023 3.6773 3.6780 5.6172 5.6246 5.6688 5.6777 k = 0.0264 0.0549-0.0000 ( 5069 PWs) bands (ev): -22.4953 -22.4953 -22.4185 -22.4185 -18.4762 -18.4762 -18.4516 -18.4516 -14.1017 -14.1017 -13.9411 -13.9411 -7.1624 -7.1624 -6.7537 -6.7537 -6.4499 -6.4494 -6.2488 -6.2480 -6.0398 -6.0388 -5.8336 -5.8327 -4.5288 -4.5284 -3.8917 -3.8915 -2.3639 -2.3638 -2.3001 -2.2983 -2.0081 -2.0073 -1.6895 -1.6886 -0.8311 -0.8292 -0.7408 -0.7364 0.9047 0.9067 0.9071 0.9080 3.4034 3.4038 3.6770 3.6780 5.6104 5.6185 5.6787 5.6889 k = 0.0352 0.0732-0.0000 ( 5077 PWs) bands (ev): -22.4949 -22.4949 -22.4189 -22.4189 -18.4762 -18.4762 -18.4517 -18.4517 -14.1019 -14.1018 -13.9409 -13.9409 -7.1618 -7.1617 -6.7548 -6.7548 -6.4466 -6.4458 -6.2472 -6.2461 -6.0423 -6.0410 -5.8364 -5.8352 -4.5305 -4.5299 -3.8914 -3.8911 -2.3623 -2.3620 -2.3005 -2.2981 -2.0090 -2.0080 -1.6921 -1.6909 -0.8316 -0.8291 -0.7393 -0.7334 0.9033 0.9059 0.9067 0.9079 3.4053 3.4059 3.6766 3.6780 5.6043 5.6125 5.6901 5.7012 k = 0.0440 0.0915-0.0000 ( 5069 PWs) bands (ev): -22.4944 -22.4944 -22.4193 -22.4193 -18.4762 -18.4762 -18.4518 -18.4518 -14.1020 -14.1020 -13.9406 -13.9406 -7.1609 -7.1609 -6.7563 -6.7562 -6.4423 -6.4412 -6.2450 -6.2436 -6.0454 -6.0438 -5.8400 -5.8385 -4.5326 -4.5318 -3.8909 -3.8906 -2.3601 -2.3597 -2.3009 -2.2979 -2.0103 -2.0089 -1.6953 -1.6938 -0.8321 -0.8290 -0.7372 -0.7299 0.9017 0.9049 0.9062 0.9077 3.4079 3.4087 3.6762 3.6779 5.5991 5.6071 5.7026 5.7142 k = 0.0527 0.1098-0.0000 ( 5081 PWs) bands (ev): -22.4938 -22.4938 -22.4199 -22.4199 -18.4763 -18.4763 -18.4519 -18.4519 -14.1022 -14.1022 -13.9403 -13.9403 -7.1599 -7.1598 -6.7580 -6.7579 -6.4370 -6.4358 -6.2423 -6.2407 -6.0492 -6.0472 -5.8444 -5.8426 -4.5351 -4.5342 -3.8904 -3.8900 -2.3575 -2.3568 -2.3015 -2.2977 -2.0118 -2.0101 -1.6991 -1.6973 -0.8327 -0.8289 -0.7345 -0.7259 0.8997 0.9036 0.9056 0.9074 3.4110 3.4119 3.6757 3.6777 5.5949 5.6026 5.7155 5.7278 k = 0.0615 0.1281-0.0000 ( 5077 PWs) bands (ev): -22.4932 -22.4932 -22.4205 -22.4205 -18.4763 -18.4763 -18.4521 -18.4521 -14.1025 -14.1024 -13.9399 -13.9398 -7.1587 -7.1586 -6.7599 -6.7599 -6.4309 -6.4294 -6.2392 -6.2372 -6.0536 -6.0513 -5.8495 -5.8474 -4.5380 -4.5369 -3.8897 -3.8893 -2.3543 -2.3533 -2.3021 -2.2975 -2.0137 -2.0117 -1.7035 -1.7013 -0.8333 -0.8288 -0.7314 -0.7214 0.8974 0.9019 0.9049 0.9070 3.4147 3.4157 3.6750 3.6774 5.5918 5.5992 5.7283 5.7419 k = 0.0703 0.1464-0.0000 ( 5073 PWs) bands (ev): -22.4924 -22.4924 -22.4212 -22.4212 -18.4764 -18.4764 -18.4523 -18.4523 -14.1027 -14.1027 -13.9394 -13.9393 -7.1573 -7.1572 -6.7622 -6.7621 -6.4239 -6.4221 -6.2355 -6.2332 -6.0586 -6.0560 -5.8554 -5.8530 -4.5412 -4.5400 -3.8889 -3.8885 -2.3507 -2.3491 -2.3027 -2.2971 -2.0158 -2.0135 -1.7084 -1.7058 -0.8339 -0.8288 -0.7278 -0.7165 0.8947 0.8998 0.9042 0.9066 3.4189 3.4201 3.6743 3.6770 5.5899 5.5970 5.7371 5.7406 k = 0.0791 0.1647-0.0000 ( 5077 PWs) bands (ev): -22.4915 -22.4915 -22.4220 -22.4220 -18.4764 -18.4764 -18.4524 -18.4524 -14.1030 -14.1030 -13.9388 -13.9388 -7.1558 -7.1557 -6.7647 -6.7646 -6.4161 -6.4140 -6.2313 -6.2287 -6.0642 -6.0612 -5.8620 -5.8593 -4.5447 -4.5434 -3.8881 -3.8875 -2.3467 -2.3443 -2.3034 -2.2966 -2.0183 -2.0157 -1.7137 -1.7106 -0.8346 -0.8289 -0.7238 -0.7113 0.8916 0.8973 0.9034 0.9061 3.4236 3.4249 3.6734 3.6764 5.5893 5.5961 5.7338 5.7344 k = 0.0879 0.1830-0.0000 ( 5073 PWs) bands (ev): -22.4905 -22.4905 -22.4229 -22.4229 -18.4765 -18.4765 -18.4526 -18.4526 -14.1033 -14.1033 -13.9382 -13.9382 -7.1541 -7.1540 -6.7674 -6.7674 -6.4075 -6.4051 -6.2266 -6.2237 -6.0703 -6.0670 -5.8694 -5.8663 -4.5485 -4.5470 -3.8871 -3.8865 -2.3424 -2.3388 -2.3040 -2.2958 -2.0213 -2.0183 -1.7193 -1.7158 -0.8353 -0.8290 -0.7195 -0.7057 0.8881 0.8945 0.9026 0.9056 3.4289 3.4302 3.6723 3.6756 5.5900 5.5964 5.7265 5.7280 k = 0.0967 0.2013-0.0000 ( 5073 PWs) bands (ev): -22.4895 -22.4895 -22.4239 -22.4239 -18.4765 -18.4765 -18.4529 -18.4529 -14.1037 -14.1036 -13.9376 -13.9375 -7.1523 -7.1522 -6.7704 -6.7703 -6.3982 -6.3955 -6.2214 -6.2181 -6.0770 -6.0734 -5.8774 -5.8740 -4.5525 -4.5509 -3.8860 -3.8854 -2.3379 -2.3328 -2.3046 -2.2946 -2.0246 -2.0213 -1.7252 -1.7213 -0.8360 -0.8291 -0.7149 -0.7000 0.8841 0.8911 0.9017 0.9050 3.4345 3.4360 3.6710 3.6746 5.5919 5.5980 5.7186 5.7206 k = 0.1055 0.2196-0.0000 ( 5081 PWs) bands (ev): -22.4884 -22.4884 -22.4250 -22.4250 -18.4766 -18.4766 -18.4531 -18.4531 -14.1041 -14.1040 -13.9369 -13.9368 -7.1503 -7.1502 -6.7735 -6.7735 -6.3882 -6.3851 -6.2157 -6.2121 -6.0843 -6.0802 -5.8862 -5.8825 -4.5567 -4.5549 -3.8848 -3.8842 -2.3336 -2.3264 -2.3049 -2.2925 -2.0283 -2.0247 -1.7313 -1.7269 -0.8369 -0.8293 -0.7101 -0.6941 0.8798 0.8874 0.9008 0.9043 3.4406 3.4422 3.6695 3.6734 5.5952 5.6009 5.7102 5.7125 k = 0.1143 0.2379-0.0000 ( 5081 PWs) bands (ev): -22.4871 -22.4871 -22.4261 -22.4261 -18.4766 -18.4766 -18.4534 -18.4534 -14.1044 -14.1044 -13.9361 -13.9361 -7.1483 -7.1481 -6.7769 -6.7769 -6.3775 -6.3741 -6.2095 -6.2055 -6.0920 -6.0876 -5.8957 -5.8916 -4.5609 -4.5591 -3.8836 -3.8828 -2.3297 -2.3202 -2.3042 -2.2893 -2.0325 -2.0285 -1.7376 -1.7327 -0.8377 -0.8295 -0.7052 -0.6882 0.8749 0.8831 0.8998 0.9036 3.4472 3.4489 3.6678 3.6719 5.5998 5.6051 5.7014 5.7039 k = 0.1231 0.2562-0.0000 ( 5079 PWs) bands (ev): -22.4858 -22.4858 -22.4273 -22.4273 -18.4767 -18.4767 -18.4536 -18.4536 -14.1049 -14.1048 -13.9353 -13.9352 -7.1461 -7.1460 -6.7805 -6.7805 -6.3663 -6.3625 -6.2028 -6.1984 -6.1002 -6.0954 -5.9058 -5.9013 -4.5653 -4.5633 -3.8822 -3.8814 -2.3267 -2.3161 -2.3007 -2.2845 -2.0372 -2.0328 -1.7439 -1.7385 -0.8386 -0.8297 -0.7001 -0.6822 0.8695 0.8782 0.8988 0.9028 3.4541 3.4559 3.6658 3.6701 5.6056 5.6106 5.6922 5.6948 k = 0.1319 0.2745-0.0000 ( 5087 PWs) bands (ev): -22.4845 -22.4845 -22.4286 -22.4286 -18.4768 -18.4768 -18.4539 -18.4539 -14.1053 -14.1053 -13.9344 -13.9344 -7.1439 -7.1437 -6.7843 -6.7842 -6.3545 -6.3502 -6.1956 -6.1907 -6.1088 -6.1037 -5.9166 -5.9117 -4.5696 -4.5676 -3.8807 -3.8799 -2.3246 -2.3150 -2.2935 -2.2781 -2.0423 -2.0376 -1.7503 -1.7443 -0.8395 -0.8300 -0.6951 -0.6762 0.8636 0.8729 0.8977 0.9020 3.4614 3.4633 3.6636 3.6681 5.6128 5.6175 5.6825 5.6853 k = 0.1407 0.2928-0.0000 ( 5091 PWs) bands (ev): -22.4830 -22.4830 -22.4300 -22.4300 -18.4768 -18.4768 -18.4542 -18.4542 -14.1057 -14.1057 -13.9335 -13.9334 -7.1415 -7.1414 -6.7882 -6.7881 -6.3422 -6.3375 -6.1879 -6.1826 -6.1179 -6.1124 -5.9280 -5.9227 -4.5740 -4.5718 -3.8791 -3.8782 -2.3235 -2.3154 -2.2840 -2.2699 -2.0478 -2.0428 -1.7566 -1.7501 -0.8405 -0.8304 -0.6901 -0.6704 0.8571 0.8669 0.8966 0.9011 3.4691 3.4710 3.6610 3.6657 5.6212 5.6255 5.6725 5.6754 k = 0.1495 0.3111-0.0000 ( 5083 PWs) bands (ev): -22.4815 -22.4815 -22.4314 -22.4314 -18.4769 -18.4769 -18.4545 -18.4545 -14.1062 -14.1062 -13.9325 -13.9324 -7.1392 -7.1390 -6.7923 -6.7922 -6.3294 -6.3243 -6.1797 -6.1739 -6.1273 -6.1215 -5.9399 -5.9342 -4.5782 -4.5760 -3.8774 -3.8765 -2.3232 -2.3165 -2.2730 -2.2603 -2.0538 -2.0484 -1.7627 -1.7557 -0.8415 -0.8308 -0.6851 -0.6647 0.8500 0.8604 0.8955 0.9003 3.4770 3.4790 3.6581 3.6630 5.6307 5.6348 5.6623 5.6652 k = 0.1582 0.3294-0.0000 ( 5087 PWs) bands (ev): -22.4799 -22.4799 -22.4329 -22.4329 -18.4769 -18.4769 -18.4549 -18.4548 -14.1067 -14.1066 -13.9315 -13.9314 -7.1367 -7.1366 -6.7965 -6.7964 -6.3163 -6.3107 -6.1710 -6.1648 -6.1371 -6.1309 -5.9524 -5.9463 -4.5824 -4.5800 -3.8756 -3.8747 -2.3235 -2.3179 -2.2610 -2.2493 -2.0601 -2.0545 -1.7688 -1.7612 -0.8427 -0.8313 -0.6803 -0.6591 0.8423 0.8532 0.8944 0.8993 3.4853 3.4873 3.6549 3.6600 5.6411 5.6450 5.6520 5.6548 k = 0.1670 0.3477-0.0000 ( 5093 PWs) bands (ev): -22.4783 -22.4783 -22.4345 -22.4345 -18.4770 -18.4770 -18.4552 -18.4552 -14.1072 -14.1071 -13.9304 -13.9304 -7.1343 -7.1341 -6.8009 -6.8008 -6.3028 -6.2967 -6.1619 -6.1553 -6.1471 -6.1407 -5.9653 -5.9588 -4.5864 -4.5840 -3.8737 -3.8727 -2.3242 -2.3195 -2.2480 -2.2373 -2.0668 -2.0609 -1.7747 -1.7666 -0.8438 -0.8319 -0.6756 -0.6538 0.8340 0.8454 0.8932 0.8983 3.4937 3.4958 3.6514 3.6566 5.6401 5.6434 5.6538 5.6570 k = 0.1758 0.3660-0.0000 ( 5079 PWs) bands (ev): -22.4766 -22.4766 -22.4360 -22.4360 -18.4770 -18.4770 -18.4555 -18.4555 -14.1077 -14.1076 -13.9293 -13.9292 -7.1318 -7.1316 -6.8055 -6.8053 -6.2890 -6.2824 -6.1580 -6.1532 -6.1498 -6.1448 -5.9787 -5.9718 -4.5902 -4.5877 -3.8717 -3.8707 -2.3252 -2.3212 -2.2342 -2.2242 -2.0737 -2.0675 -1.7803 -1.7718 -0.8451 -0.8326 -0.6711 -0.6487 0.8251 0.8369 0.8920 0.8973 3.5024 3.5045 3.6475 3.6528 5.6291 5.6324 5.6665 5.6694 k = 0.1846 0.3843-0.0000 ( 5067 PWs) bands (ev): -22.4749 -22.4749 -22.4377 -22.4377 -18.4771 -18.4771 -18.4558 -18.4558 -14.1082 -14.1081 -13.9281 -13.9281 -7.1294 -7.1292 -6.8101 -6.8099 -6.2749 -6.2679 -6.1687 -6.1614 -6.1418 -6.1342 -5.9925 -5.9852 -4.5937 -4.5912 -3.8696 -3.8686 -2.3264 -2.3230 -2.2196 -2.2102 -2.0808 -2.0745 -1.7858 -1.7769 -0.8465 -0.8334 -0.6667 -0.6438 0.8155 0.8278 0.8908 0.8962 3.5113 3.5134 3.6433 3.6487 5.6177 5.6210 5.6802 5.6829 k = 0.1934 0.4026-0.0000 ( 5063 PWs) bands (ev): -22.4731 -22.4731 -22.4394 -22.4394 -18.4771 -18.4771 -18.4562 -18.4561 -14.1087 -14.1086 -13.9270 -13.9269 -7.1269 -7.1267 -6.8148 -6.8146 -6.2607 -6.2532 -6.1797 -6.1721 -6.1313 -6.1232 -6.0065 -5.9988 -4.5970 -4.5944 -3.8674 -3.8663 -2.3279 -2.3249 -2.2044 -2.1955 -2.0879 -2.0815 -1.7911 -1.7817 -0.8479 -0.8344 -0.6626 -0.6392 0.8053 0.8180 0.8895 0.8951 3.5202 3.5224 3.6387 3.6443 5.6061 5.6093 5.6948 5.6973 k = 0.2022 0.4209-0.0000 ( 5061 PWs) bands (ev): -22.4713 -22.4713 -22.4411 -22.4411 -18.4772 -18.4772 -18.4565 -18.4565 -14.1092 -14.1091 -13.9257 -13.9257 -7.1245 -7.1243 -6.8197 -6.8194 -6.2464 -6.2383 -6.1910 -6.1830 -6.1203 -6.1117 -6.0209 -6.0128 -4.6000 -4.5973 -3.8652 -3.8640 -2.3294 -2.3268 -2.1886 -2.1802 -2.0950 -2.0885 -1.7963 -1.7865 -0.8495 -0.8354 -0.6587 -0.6349 0.7944 0.8075 0.8882 0.8939 3.5293 3.5315 3.6337 3.6394 5.5943 5.5975 5.7103 5.7124 k = 0.2110 0.4392-0.0000 ( 5071 PWs) bands (ev): -22.4695 -22.4695 -22.4428 -22.4428 -18.4772 -18.4772 -18.4568 -18.4568 -14.1097 -14.1096 -13.9245 -13.9244 -7.1222 -7.1219 -6.8246 -6.8243 -6.2320 -6.2235 -6.2025 -6.1942 -6.1089 -6.0998 -6.0354 -6.0270 -4.6026 -4.5999 -3.8628 -3.8616 -2.3311 -2.3288 -2.1723 -2.1645 -2.1017 -2.0953 -1.8013 -1.7911 -0.8512 -0.8367 -0.6549 -0.6309 0.7829 0.7963 0.8868 0.8927 3.5385 3.5406 3.6284 3.6342 5.5823 5.5855 5.7264 5.7283 k = 0.2198 0.4575-0.0000 ( 5061 PWs) bands (ev): -22.4677 -22.4677 -22.4446 -22.4446 -18.4772 -18.4772 -18.4572 -18.4571 -14.1102 -14.1101 -13.9232 -13.9232 -7.1199 -7.1196 -6.8296 -6.8293 -6.2179 -6.2138 -6.2088 -6.2053 -6.0970 -6.0876 -6.0500 -6.0412 -4.6049 -4.6022 -3.8603 -3.8590 -2.3328 -2.3308 -2.1561 -2.1493 -2.1073 -2.1015 -1.8061 -1.7956 -0.8531 -0.8381 -0.6514 -0.6271 0.7707 0.7845 0.8855 0.8915 3.5476 3.5498 3.6228 3.6287 5.5702 5.5734 5.7432 5.7448 k = 0.2286 0.4758-0.0000 ( 5061 PWs) bands (ev): -22.4658 -22.4658 -22.4464 -22.4464 -18.4773 -18.4773 -18.4575 -18.4575 -14.1107 -14.1106 -13.9219 -13.9219 -7.1176 -7.1174 -6.8346 -6.8343 -6.2262 -6.2173 -6.2029 -6.1937 -6.0848 -6.0750 -6.0647 -6.0555 -4.6069 -4.6041 -3.8577 -3.8564 -2.3346 -2.3328 -2.1411 -2.1372 -2.1091 -2.1057 -1.8108 -1.8000 -0.8551 -0.8397 -0.6480 -0.6236 0.7579 0.7720 0.8841 0.8902 3.5568 3.5588 3.6169 3.6229 5.5581 5.5612 5.7605 5.7619 k = 0.2374 0.4941-0.0000 ( 5067 PWs) bands (ev): -22.4639 -22.4639 -22.4482 -22.4482 -18.4773 -18.4773 -18.4578 -18.4578 -14.1112 -14.1111 -13.9206 -13.9206 -7.1155 -7.1152 -6.8397 -6.8394 -6.2383 -6.2291 -6.1886 -6.1790 -6.0795 -6.0721 -6.0700 -6.0621 -4.6085 -4.6057 -3.8550 -3.8537 -2.3365 -2.3348 -2.1340 -2.1319 -2.1035 -2.1013 -1.8155 -1.8044 -0.8573 -0.8415 -0.6449 -0.6203 0.7445 0.7589 0.8827 0.8889 3.5659 3.5678 3.6106 3.6167 5.5458 5.5489 5.7782 5.7794 k = 0.2462 0.5124-0.0000 ( 5076 PWs) bands (ev): -22.4620 -22.4620 -22.4501 -22.4501 -18.4773 -18.4773 -18.4582 -18.4581 -14.1117 -14.1116 -13.9193 -13.9193 -7.1134 -7.1131 -6.8448 -6.8445 -6.2506 -6.2412 -6.1743 -6.1645 -6.0939 -6.0842 -6.0593 -6.0490 -4.6097 -4.6069 -3.8522 -3.8509 -2.3383 -2.3368 -2.1374 -2.1321 -2.0912 -2.0861 -1.8201 -1.8088 -0.8597 -0.8435 -0.6418 -0.6172 0.7305 0.7451 0.8813 0.8875 3.5748 3.5765 3.6042 3.6105 5.5336 5.5366 5.7963 5.7972 k = 0.2550 0.5307-0.0000 ( 5082 PWs) bands (ev): -22.4602 -22.4602 -22.4519 -22.4519 -18.4773 -18.4773 -18.4585 -18.4585 -14.1121 -14.1121 -13.9180 -13.9179 -7.1115 -7.1112 -6.8499 -6.8496 -6.2630 -6.2534 -6.1601 -6.1501 -6.1082 -6.0983 -6.0462 -6.0357 -4.6105 -4.6078 -3.8494 -3.8481 -2.3402 -2.3388 -2.1425 -2.1363 -2.0743 -2.0685 -1.8247 -1.8132 -0.8623 -0.8458 -0.6388 -0.6142 0.7159 0.7307 0.8798 0.8860 3.5832 3.5845 3.5979 3.6047 5.5215 5.5244 5.8145 5.8153 k = 0.2637 0.5490-0.0000 ( 5084 PWs) bands (ev): -22.4583 -22.4583 -22.4537 -22.4537 -18.4773 -18.4773 -18.4588 -18.4588 -14.1126 -14.1126 -13.9166 -13.9166 -7.1096 -7.1093 -6.8550 -6.8547 -6.2755 -6.2658 -6.1462 -6.1362 -6.1219 -6.1121 -6.0329 -6.0223 -4.6110 -4.6083 -3.8465 -3.8451 -2.3420 -2.3407 -2.1477 -2.1412 -2.0558 -2.0500 -1.8293 -1.8176 -0.8651 -0.8484 -0.6360 -0.6114 0.7008 0.7158 0.8782 0.8845 3.5870 3.5890 3.5958 3.6018 5.5094 5.5122 5.8330 5.8335 k = 0.2725 0.5673-0.0000 ( 5082 PWs) bands (ev): -22.4564 -22.4564 -22.4556 -22.4556 -18.4773 -18.4773 -18.4591 -18.4591 -14.1130 -14.1130 -13.9153 -13.9152 -7.1079 -7.1076 -6.8601 -6.8598 -6.2881 -6.2784 -6.1363 -6.1330 -6.1250 -6.1216 -6.0194 -6.0088 -4.6111 -4.6084 -3.8434 -3.8421 -2.3438 -2.3427 -2.1527 -2.1461 -2.0368 -2.0311 -1.8339 -1.8221 -0.8681 -0.8512 -0.6332 -0.6087 0.6853 0.7003 0.8767 0.8829 3.5814 3.5856 3.6028 3.6066 5.4974 5.5002 5.8516 5.8519 k = 0.2813 0.5856-0.0000 ( 5082 PWs) bands (ev): -22.4574 -22.4574 -22.4546 -22.4546 -18.4773 -18.4773 -18.4594 -18.4594 -14.1135 -14.1134 -13.9140 -13.9139 -7.1063 -7.1060 -6.8652 -6.8648 -6.3008 -6.2911 -6.1494 -6.1394 -6.1183 -6.1082 -6.0059 -5.9953 -4.6109 -4.6082 -3.8403 -3.8390 -2.3456 -2.3445 -2.1572 -2.1506 -2.0174 -2.0119 -1.8386 -1.8266 -0.8713 -0.8543 -0.6304 -0.6061 0.6693 0.6844 0.8750 0.8812 3.5742 3.5789 3.6110 3.6141 5.4856 5.4883 5.8702 5.8703 k = 0.2901 0.6039-0.0000 ( 5090 PWs) bands (ev): -22.4592 -22.4592 -22.4528 -22.4528 -18.4773 -18.4773 -18.4597 -18.4597 -14.1139 -14.1139 -13.9126 -13.9126 -7.1048 -7.1045 -6.8702 -6.8698 -6.3135 -6.3040 -6.1621 -6.1521 -6.1051 -6.0949 -5.9923 -5.9818 -4.6104 -4.6077 -3.8372 -3.8358 -2.3474 -2.3464 -2.1611 -2.1545 -1.9980 -1.9927 -1.8433 -1.8313 -0.8748 -0.8576 -0.6275 -0.6036 0.6529 0.6681 0.8734 0.8796 3.5665 3.5714 3.6192 3.6221 5.4741 5.4767 5.8886 5.8887 k = 0.2989 0.6222-0.0000 ( 5086 PWs) bands (ev): -22.4610 -22.4610 -22.4510 -22.4510 -18.4773 -18.4773 -18.4600 -18.4600 -14.1143 -14.1143 -13.9113 -13.9113 -7.1034 -7.1031 -6.8751 -6.8748 -6.3262 -6.3169 -6.1743 -6.1644 -6.0920 -6.0819 -5.9788 -5.9685 -4.6095 -4.6069 -3.8340 -3.8326 -2.3491 -2.3482 -2.1644 -2.1578 -1.9786 -1.9735 -1.8481 -1.8360 -0.8785 -0.8613 -0.6247 -0.6011 0.6362 0.6514 0.8718 0.8778 3.5587 3.5636 3.6272 3.6300 5.4628 5.4653 5.9067 5.9071 k = 0.3077 0.6405-0.0000 ( 5094 PWs) bands (ev): -22.4627 -22.4627 -22.4492 -22.4492 -18.4772 -18.4772 -18.4603 -18.4602 -14.1147 -14.1146 -13.9100 -13.9099 -7.1022 -7.1019 -6.8800 -6.8797 -6.3390 -6.3299 -6.1860 -6.1763 -6.0792 -6.0693 -5.9655 -5.9553 -4.6084 -4.6058 -3.8307 -3.8294 -2.3508 -2.3499 -2.1669 -2.1604 -1.9594 -1.9545 -1.8530 -1.8409 -0.8824 -0.8652 -0.6218 -0.5985 0.6193 0.6344 0.8700 0.8760 3.5507 3.5556 3.6350 3.6376 5.4518 5.4542 5.9247 5.9252 k = 0.3077 0.6405-0.0000 ( 5094 PWs) bands (ev): -22.4627 -22.4627 -22.4492 -22.4492 -18.4772 -18.4772 -18.4603 -18.4602 -14.1147 -14.1146 -13.9100 -13.9099 -7.1022 -7.1019 -6.8800 -6.8797 -6.3390 -6.3299 -6.1860 -6.1763 -6.0792 -6.0693 -5.9655 -5.9553 -4.6084 -4.6058 -3.8307 -3.8294 -2.3508 -2.3499 -2.1669 -2.1604 -1.9594 -1.9545 -1.8530 -1.8409 -0.8824 -0.8652 -0.6218 -0.5985 0.6193 0.6344 0.8700 0.8760 3.5507 3.5556 3.6350 3.6376 5.4518 5.4542 5.9247 5.9252 k = 0.2872 0.6405-0.0000 ( 5093 PWs) bands (ev): -22.4620 -22.4620 -22.4499 -22.4499 -18.4772 -18.4772 -18.4602 -18.4602 -14.1145 -14.1144 -13.9106 -13.9106 -7.1029 -7.1025 -6.8777 -6.8773 -6.3332 -6.3240 -6.1810 -6.1712 -6.0848 -6.0748 -5.9714 -5.9611 -4.6090 -4.6064 -3.8323 -3.8309 -2.3504 -2.3495 -2.1655 -2.1590 -1.9675 -1.9625 -1.8514 -1.8393 -0.8807 -0.8636 -0.6227 -0.5995 0.6273 0.6424 0.8707 0.8767 3.5451 3.5531 3.6368 3.6437 5.4575 5.4599 5.9165 5.9170 k = 0.2667 0.6405-0.0000 ( 5094 PWs) bands (ev): -22.4614 -22.4614 -22.4506 -22.4505 -18.4770 -18.4770 -18.4602 -18.4602 -14.1142 -14.1142 -13.9114 -13.9113 -7.1038 -7.1035 -6.8750 -6.8746 -6.3270 -6.3177 -6.1760 -6.1661 -6.0904 -6.0804 -5.9775 -5.9672 -4.6097 -4.6071 -3.8340 -3.8327 -2.3509 -2.3497 -2.1630 -2.1568 -1.9750 -1.9699 -1.8508 -1.8388 -0.8792 -0.8625 -0.6229 -0.6000 0.6365 0.6515 0.8711 0.8772 3.5285 3.5387 3.6502 3.6599 5.4651 5.4675 5.9078 5.9081 k = 0.2462 0.6405-0.0000 ( 5084 PWs) bands (ev): -22.4609 -22.4609 -22.4510 -22.4510 -18.4768 -18.4768 -18.4603 -18.4603 -14.1139 -14.1138 -13.9122 -13.9122 -7.1050 -7.1046 -6.8720 -6.8716 -6.3204 -6.3110 -6.1711 -6.1612 -6.0959 -6.0858 -5.9838 -5.9734 -4.6104 -4.6079 -3.8359 -3.8346 -2.3519 -2.3505 -2.1597 -2.1538 -1.9819 -1.9765 -1.8511 -1.8393 -0.8780 -0.8619 -0.6224 -0.6002 0.6466 0.6614 0.8711 0.8773 3.5078 3.5185 3.6690 3.6794 5.4744 5.4769 5.8986 5.8988 k = 0.2256 0.6405-0.0000 ( 5080 PWs) bands (ev): -22.4605 -22.4605 -22.4514 -22.4514 -18.4764 -18.4764 -18.4605 -18.4605 -14.1135 -14.1135 -13.9131 -13.9131 -7.1063 -7.1059 -6.8688 -6.8684 -6.3135 -6.3040 -6.1666 -6.1566 -6.1011 -6.0910 -5.9903 -5.9799 -4.6113 -4.6088 -3.8379 -3.8365 -2.3535 -2.3519 -2.1556 -2.1502 -1.9880 -1.9823 -1.8524 -1.8408 -0.8769 -0.8616 -0.6213 -0.6000 0.6575 0.6720 0.8708 0.8771 3.4859 3.4964 3.6893 3.6996 5.4855 5.4880 5.8887 5.8892 k = 0.2051 0.6405-0.0000 ( 5076 PWs) bands (ev): -22.4603 -22.4603 -22.4517 -22.4517 -18.4759 -18.4759 -18.4608 -18.4608 -14.1131 -14.1130 -13.9141 -13.9141 -7.1077 -7.1073 -6.8655 -6.8652 -6.3062 -6.2967 -6.1627 -6.1527 -6.1056 -6.0956 -5.9969 -5.9865 -4.6121 -4.6098 -3.8399 -3.8386 -2.3555 -2.3538 -2.1511 -2.1463 -1.9932 -1.9872 -1.8546 -1.8433 -0.8761 -0.8618 -0.6195 -0.5995 0.6690 0.6831 0.8700 0.8764 3.4640 3.4741 3.7095 3.7194 5.4980 5.5006 5.8785 5.8793 k = 0.1846 0.6405-0.0000 ( 5074 PWs) bands (ev): -22.4602 -22.4602 -22.4518 -22.4518 -18.4754 -18.4754 -18.4612 -18.4612 -14.1126 -14.1126 -13.9151 -13.9151 -7.1091 -7.1088 -6.8623 -6.8619 -6.2986 -6.2891 -6.1599 -6.1499 -6.1090 -6.0990 -6.0037 -5.9932 -4.6131 -4.6109 -3.8419 -3.8406 -2.3577 -2.3559 -2.1464 -2.1421 -1.9974 -1.9911 -1.8575 -1.8466 -0.8754 -0.8624 -0.6172 -0.5987 0.6808 0.6945 0.8687 0.8752 3.4429 3.4523 3.7288 3.7381 5.5119 5.5144 5.8680 5.8692 k = 0.1641 0.6405-0.0000 ( 5076 PWs) bands (ev): -22.4602 -22.4602 -22.4518 -22.4518 -18.4747 -18.4747 -18.4617 -18.4617 -14.1122 -14.1121 -13.9161 -13.9160 -7.1105 -7.1103 -6.8591 -6.8588 -6.2908 -6.2814 -6.1589 -6.1489 -6.1108 -6.1008 -6.0105 -6.0001 -4.6140 -4.6120 -3.8438 -3.8426 -2.3600 -2.3582 -2.1417 -2.1381 -2.0004 -1.9940 -1.8610 -1.8506 -0.8749 -0.8631 -0.6146 -0.5977 0.6929 0.7060 0.8669 0.8734 3.4230 3.4316 3.7469 3.7554 5.5267 5.5292 5.8572 5.8587 k = 0.1436 0.6405-0.0000 ( 5072 PWs) bands (ev): -22.4603 -22.4603 -22.4517 -22.4517 -18.4740 -18.4740 -18.4622 -18.4622 -14.1117 -14.1117 -13.9170 -13.9170 -7.1119 -7.1116 -6.8562 -6.8559 -6.2829 -6.2735 -6.1598 -6.1500 -6.1104 -6.1005 -6.0173 -6.0070 -4.6149 -4.6131 -3.8456 -3.8445 -2.3622 -2.3605 -2.1374 -2.1343 -2.0023 -1.9957 -1.8650 -1.8551 -0.8744 -0.8641 -0.6117 -0.5968 0.7050 0.7174 0.8646 0.8711 3.4047 3.4125 3.7634 3.7710 5.5422 5.5446 5.8463 5.8481 k = 0.1231 0.6405-0.0000 ( 5070 PWs) bands (ev): -22.4604 -22.4604 -22.4516 -22.4516 -18.4732 -18.4732 -18.4629 -18.4629 -14.1113 -14.1113 -13.9179 -13.9179 -7.1132 -7.1129 -6.8534 -6.8532 -6.2748 -6.2657 -6.1626 -6.1530 -6.1081 -6.0982 -6.0242 -6.0140 -4.6158 -4.6142 -3.8473 -3.8463 -2.3643 -2.3627 -2.1336 -2.1311 -2.0030 -1.9965 -1.8692 -1.8601 -0.8741 -0.8652 -0.6088 -0.5958 0.7168 0.7285 0.8619 0.8683 3.3883 3.3951 3.7781 3.7848 5.5579 5.5603 5.8354 5.8374 k = 0.1026 0.6405-0.0000 ( 5061 PWs) bands (ev): -22.4605 -22.4605 -22.4515 -22.4515 -18.4724 -18.4724 -18.4636 -18.4636 -14.1109 -14.1109 -13.9187 -13.9187 -7.1143 -7.1141 -6.8510 -6.8508 -6.2669 -6.2581 -6.1668 -6.1576 -6.1043 -6.0946 -6.0309 -6.0209 -4.6166 -4.6152 -3.8487 -3.8479 -2.3662 -2.3648 -2.1305 -2.1284 -2.0026 -1.9963 -1.8733 -1.8651 -0.8737 -0.8663 -0.6059 -0.5950 0.7281 0.7388 0.8588 0.8650 3.3741 3.3799 3.7909 3.7966 5.5734 5.5757 5.8247 5.8269 k = 0.0821 0.6405-0.0000 ( 5063 PWs) bands (ev): -22.4607 -22.4607 -22.4514 -22.4514 -18.4715 -18.4715 -18.4643 -18.4643 -14.1105 -14.1105 -13.9194 -13.9194 -7.1153 -7.1151 -6.8490 -6.8487 -6.2591 -6.2509 -6.1715 -6.1630 -6.0995 -6.0901 -6.0374 -6.0278 -4.6172 -4.6161 -3.8499 -3.8492 -2.3678 -2.3666 -2.1280 -2.1264 -2.0014 -1.9957 -1.8772 -1.8702 -0.8733 -0.8674 -0.6032 -0.5944 0.7387 0.7481 0.8555 0.8613 3.3623 3.3670 3.8016 3.8062 5.5881 5.5902 5.8146 5.8167 k = 0.0615 0.6405-0.0000 ( 5055 PWs) bands (ev): -22.4608 -22.4608 -22.4513 -22.4513 -18.4706 -18.4706 -18.4651 -18.4651 -14.1102 -14.1102 -13.9200 -13.9199 -7.1160 -7.1159 -6.8473 -6.8471 -6.2518 -6.2445 -6.1762 -6.1687 -6.0942 -6.0855 -6.0433 -6.0344 -4.6177 -4.6169 -3.8509 -3.8504 -2.3690 -2.3681 -2.1262 -2.1249 -1.9995 -1.9948 -1.8805 -1.8748 -0.8729 -0.8684 -0.6008 -0.5941 0.7481 0.7559 0.8525 0.8575 3.3531 3.3566 3.8102 3.8137 5.6012 5.6030 5.8055 5.8074 k = 0.0410 0.6405-0.0000 ( 5052 PWs) bands (ev): -22.4609 -22.4609 -22.4512 -22.4512 -18.4697 -18.4697 -18.4660 -18.4660 -14.1100 -14.1100 -13.9204 -13.9204 -7.1166 -7.1165 -6.8461 -6.8460 -6.2453 -6.2396 -6.1800 -6.1741 -6.0888 -6.0815 -6.0481 -6.0407 -4.6181 -4.6175 -3.8516 -3.8512 -2.3699 -2.3692 -2.1249 -2.1240 -1.9975 -1.9941 -1.8828 -1.8788 -0.8724 -0.8694 -0.5986 -0.5942 0.7560 0.7616 0.8501 0.8539 3.3465 3.3489 3.8166 3.8189 5.6119 5.6132 5.7982 5.7996 k = 0.0205 0.6405-0.0000 ( 5049 PWs) bands (ev): -22.4609 -22.4609 -22.4511 -22.4511 -18.4688 -18.4687 -18.4669 -18.4669 -14.1099 -14.1099 -13.9206 -13.9206 -7.1169 -7.1169 -6.8453 -6.8453 -6.2402 -6.2369 -6.1820 -6.1787 -6.0839 -6.0793 -6.0507 -6.0461 -4.6182 -4.6179 -3.8519 -3.8517 -2.3703 -2.3700 -2.1241 -2.1236 -1.9957 -1.9939 -1.8838 -1.8818 -0.8718 -0.8703 -0.5969 -0.5947 0.7617 0.7647 0.8489 0.8510 3.3428 3.3440 3.8207 3.8218 5.6190 5.6197 5.7935 5.7943 k = 0.0000 0.6405-0.0000 ( 5048 PWs) bands (ev): -22.4610 -22.4610 -22.4511 -22.4511 -18.4679 -18.4679 -18.4677 -18.4677 -14.1098 -14.1098 -13.9207 -13.9207 -7.1170 -7.1170 -6.8451 -6.8451 -6.2371 -6.2371 -6.1816 -6.1816 -6.0803 -6.0803 -6.0499 -6.0499 -4.6182 -4.6182 -3.8520 -3.8520 -2.3703 -2.3703 -2.1237 -2.1237 -1.9944 -1.9944 -1.8835 -1.8835 -0.8711 -0.8711 -0.5955 -0.5955 0.7647 0.7647 0.8492 0.8492 3.3420 3.3420 3.8224 3.8224 5.6218 5.6218 5.7921 5.7921 k = 0.0000 0.6405-0.0000 ( 5048 PWs) bands (ev): -22.4610 -22.4610 -22.4511 -22.4511 -18.4679 -18.4679 -18.4677 -18.4677 -14.1098 -14.1098 -13.9207 -13.9207 -7.1170 -7.1170 -6.8451 -6.8451 -6.2371 -6.2371 -6.1816 -6.1816 -6.0803 -6.0803 -6.0499 -6.0499 -4.6182 -4.6182 -3.8520 -3.8520 -2.3703 -2.3703 -2.1237 -2.1237 -1.9944 -1.9944 -1.8835 -1.8835 -0.8711 -0.8711 -0.5955 -0.5955 0.7647 0.7647 0.8492 0.8492 3.3420 3.3420 3.8224 3.8224 5.6218 5.6218 5.7921 5.7921 k = 0.0000 0.6405 0.0204 ( 5050 PWs) bands (ev): -22.4609 -22.4609 -22.4511 -22.4511 -18.4679 -18.4679 -18.4677 -18.4677 -14.1097 -14.1097 -13.9207 -13.9207 -7.1171 -7.1171 -6.8456 -6.8455 -6.2389 -6.2382 -6.1839 -6.1829 -6.0795 -6.0786 -6.0490 -6.0479 -4.6179 -4.6179 -3.8524 -3.8524 -2.3709 -2.3700 -2.1240 -2.1230 -1.9945 -1.9941 -1.8839 -1.8833 -0.8708 -0.8704 -0.5951 -0.5946 0.7644 0.7646 0.8489 0.8489 3.3424 3.3426 3.8223 3.8224 5.6224 5.6228 5.7922 5.7922 k = 0.0000 0.6405 0.0409 ( 5052 PWs) bands (ev): -22.4609 -22.4609 -22.4511 -22.4511 -18.4679 -18.4679 -18.4677 -18.4677 -14.1094 -14.1094 -13.9209 -13.9209 -7.1175 -7.1174 -6.8471 -6.8470 -6.2432 -6.2419 -6.1897 -6.1878 -6.0763 -6.0746 -6.0455 -6.0435 -4.6172 -4.6170 -3.8537 -3.8536 -2.3715 -2.3699 -2.1240 -2.1219 -1.9942 -1.9935 -1.8847 -1.8834 -0.8695 -0.8686 -0.5933 -0.5924 0.7637 0.7640 0.8479 0.8480 3.3439 3.3444 3.8220 3.8222 5.6247 5.6254 5.7925 5.7927 k = 0.0000 0.6405 0.0613 ( 5054 PWs) bands (ev): -22.4608 -22.4608 -22.4510 -22.4510 -18.4678 -18.4678 -18.4676 -18.4676 -14.1088 -14.1088 -13.9211 -13.9211 -7.1179 -7.1178 -6.8495 -6.8494 -6.2498 -6.2480 -6.1982 -6.1957 -6.0710 -6.0687 -6.0399 -6.0371 -4.6158 -4.6156 -3.8557 -3.8556 -2.3724 -2.3699 -2.1237 -2.1205 -1.9937 -1.9925 -1.8857 -1.8837 -0.8671 -0.8659 -0.5902 -0.5888 0.7626 0.7629 0.8464 0.8465 3.3465 3.3472 3.8216 3.8218 5.6286 5.6296 5.7932 5.7934 k = 0.0000 0.6405 0.0818 ( 5054 PWs) bands (ev): -22.4606 -22.4606 -22.4509 -22.4509 -18.4678 -18.4678 -18.4676 -18.4676 -14.1080 -14.1080 -13.9215 -13.9214 -7.1186 -7.1184 -6.8529 -6.8528 -6.2583 -6.2560 -6.2089 -6.2058 -6.0642 -6.0614 -6.0327 -6.0292 -4.6139 -4.6136 -3.8586 -3.8584 -2.3734 -2.3701 -2.1232 -2.1187 -1.9928 -1.9912 -1.8870 -1.8843 -0.8637 -0.8621 -0.5858 -0.5840 0.7610 0.7615 0.8442 0.8444 3.3502 3.3510 3.8210 3.8213 5.6340 5.6354 5.7941 5.7944 k = 0.0000 0.6405 0.1022 ( 5052 PWs) bands (ev): -22.4604 -22.4604 -22.4508 -22.4508 -18.4677 -18.4677 -18.4675 -18.4675 -14.1069 -14.1069 -13.9219 -13.9219 -7.1195 -7.1192 -6.8573 -6.8571 -6.2681 -6.2656 -6.2211 -6.2178 -6.0563 -6.0530 -6.0244 -6.0206 -4.6115 -4.6111 -3.8623 -3.8620 -2.3747 -2.3704 -2.1224 -2.1167 -1.9916 -1.9896 -1.8885 -1.8850 -0.8594 -0.8573 -0.5802 -0.5780 0.7590 0.7596 0.8415 0.8417 3.3548 3.3559 3.8202 3.8206 5.6410 5.6427 5.7953 5.7957 k = 0.0000 0.6405 0.1227 ( 5054 PWs) bands (ev): -22.4602 -22.4602 -22.4507 -22.4507 -18.4676 -18.4676 -18.4674 -18.4674 -14.1056 -14.1056 -13.9224 -13.9224 -7.1205 -7.1202 -6.8625 -6.8623 -6.2791 -6.2763 -6.2344 -6.2309 -6.0476 -6.0440 -6.0155 -6.0114 -4.6085 -4.6080 -3.8667 -3.8664 -2.3760 -2.3709 -2.1214 -2.1144 -1.9901 -1.9876 -1.8903 -1.8859 -0.8540 -0.8516 -0.5735 -0.5708 0.7567 0.7573 0.8382 0.8384 3.3605 3.3618 3.8193 3.8198 5.6494 5.6515 5.7968 5.7972 k = 0.0000 0.6405 0.1431 ( 5060 PWs) bands (ev): -22.4599 -22.4599 -22.4505 -22.4505 -18.4675 -18.4675 -18.4673 -18.4673 -14.1041 -14.1041 -13.9230 -13.9230 -7.1217 -7.1214 -6.8686 -6.8684 -6.2908 -6.2879 -6.2487 -6.2451 -6.0383 -6.0345 -6.0064 -6.0020 -4.6049 -4.6044 -3.8719 -3.8716 -2.3775 -2.3716 -2.1203 -2.1119 -1.9882 -1.9853 -1.8923 -1.8868 -0.8477 -0.8450 -0.5657 -0.5627 0.7539 0.7547 0.8343 0.8346 3.3671 3.3686 3.8183 3.8189 5.6592 5.6616 5.7985 5.7991 k = 0.0000 0.6405 0.1636 ( 5068 PWs) bands (ev): -22.4596 -22.4596 -22.4503 -22.4503 -18.4673 -18.4673 -18.4672 -18.4671 -14.1024 -14.1024 -13.9237 -13.9237 -7.1230 -7.1227 -6.8755 -6.8753 -6.3032 -6.3002 -6.2636 -6.2599 -6.0288 -6.0248 -5.9971 -5.9926 -4.6008 -4.6002 -3.8779 -3.8775 -2.3792 -2.3723 -2.1193 -2.1094 -1.9860 -1.9825 -1.8945 -1.8879 -0.8404 -0.8374 -0.5571 -0.5537 0.7509 0.7517 0.8300 0.8303 3.3747 3.3763 3.8171 3.8178 5.6704 5.6731 5.8005 5.8012 k = 0.0000 0.6405 0.1840 ( 5072 PWs) bands (ev): -22.4593 -22.4593 -22.4501 -22.4501 -18.4672 -18.4672 -18.4670 -18.4670 -14.1005 -14.1004 -13.9246 -13.9246 -7.1245 -7.1242 -6.8832 -6.8830 -6.3159 -6.3130 -6.2789 -6.2752 -6.0191 -6.0149 -5.9879 -5.9832 -4.5962 -4.5955 -3.8847 -3.8842 -2.3809 -2.3732 -2.1184 -2.1069 -1.9834 -1.9793 -1.8968 -1.8889 -0.8322 -0.8289 -0.5477 -0.5440 0.7475 0.7485 0.8251 0.8255 3.3831 3.3849 3.8158 3.8166 5.6827 5.6857 5.8028 5.8035 k = 0.0000 0.6405 0.2045 ( 5072 PWs) bands (ev): -22.4589 -22.4589 -22.4499 -22.4499 -18.4670 -18.4670 -18.4669 -18.4668 -14.0983 -14.0983 -13.9255 -13.9255 -7.1262 -7.1258 -6.8916 -6.8913 -6.3290 -6.3260 -6.2945 -6.2909 -6.0093 -6.0051 -5.9788 -5.9740 -4.5909 -4.5902 -3.8921 -3.8916 -2.3827 -2.3741 -2.1176 -2.1044 -1.9805 -1.9758 -1.8991 -1.8899 -0.8231 -0.8196 -0.5376 -0.5336 0.7439 0.7449 0.8198 0.8203 3.3923 3.3943 3.8144 3.8153 5.6961 5.6994 5.8053 5.8062 k = 0.0000 0.6405 0.2249 ( 5060 PWs) bands (ev): -22.4584 -22.4584 -22.4497 -22.4497 -18.4668 -18.4668 -18.4667 -18.4667 -14.0959 -14.0959 -13.9265 -13.9265 -7.1280 -7.1275 -6.9006 -6.9003 -6.3422 -6.3392 -6.3104 -6.3067 -5.9997 -5.9953 -5.9699 -5.9650 -4.5851 -4.5844 -3.9003 -3.8997 -2.3845 -2.3750 -2.1172 -2.1022 -1.9771 -1.9718 -1.9015 -1.8907 -0.8131 -0.8094 -0.5270 -0.5227 0.7400 0.7411 0.8142 0.8147 3.4023 3.4045 3.8129 3.8139 5.7104 5.7140 5.8081 5.8090 k = 0.0000 0.6405 0.2454 ( 5066 PWs) bands (ev): -22.4580 -22.4580 -22.4494 -22.4494 -18.4667 -18.4667 -18.4665 -18.4665 -14.0934 -14.0934 -13.9277 -13.9276 -7.1299 -7.1294 -6.9102 -6.9099 -6.3555 -6.3526 -6.3263 -6.3227 -5.9901 -5.9857 -5.9613 -5.9564 -4.5788 -4.5780 -3.9091 -3.9085 -2.3863 -2.3759 -2.1171 -2.1004 -1.9734 -1.9675 -1.9038 -1.8914 -0.8023 -0.7985 -0.5161 -0.5116 0.7360 0.7371 0.8081 0.8087 3.4129 3.4152 3.8113 3.8123 5.7255 5.7294 5.8111 5.8121 k = 0.0000 0.6405 0.2658 ( 5062 PWs) bands (ev): -22.4575 -22.4575 -22.4491 -22.4491 -18.4665 -18.4664 -18.4663 -18.4663 -14.0907 -14.0907 -13.9289 -13.9289 -7.1319 -7.1313 -6.9203 -6.9200 -6.3688 -6.3659 -6.3423 -6.3388 -5.9808 -5.9763 -5.9530 -5.9480 -4.5719 -4.5710 -3.9186 -3.9180 -2.3880 -2.3768 -2.1176 -2.0990 -1.9694 -1.9627 -1.9058 -1.8918 -0.7908 -0.7868 -0.5049 -0.5002 0.7317 0.7330 0.8017 0.8024 3.4242 3.4266 3.8096 3.8107 5.7413 5.7454 5.8143 5.8153 k = 0.0000 0.6405 0.2863 ( 5072 PWs) bands (ev): -22.4570 -22.4570 -22.4489 -22.4489 -18.4663 -18.4662 -18.4661 -18.4661 -14.0878 -14.0877 -13.9303 -13.9303 -7.1339 -7.1334 -6.9309 -6.9306 -6.3821 -6.3792 -6.3582 -6.3547 -5.9717 -5.9671 -5.9449 -5.9399 -4.5645 -4.5636 -3.9287 -3.9281 -2.3896 -2.3776 -2.1187 -2.0982 -1.9651 -1.9577 -1.9077 -1.8920 -0.7786 -0.7744 -0.4937 -0.4888 0.7274 0.7287 0.7951 0.7958 3.4359 3.4386 3.8077 3.8090 5.7576 5.7619 5.8175 5.8187 k = 0.0000 0.6405 0.3067 ( 5080 PWs) bands (ev): -22.4565 -22.4565 -22.4486 -22.4486 -18.4661 -18.4660 -18.4659 -18.4659 -14.0847 -14.0847 -13.9318 -13.9317 -7.1361 -7.1355 -6.9418 -6.9415 -6.3952 -6.3924 -6.3739 -6.3705 -5.9628 -5.9582 -5.9372 -5.9322 -4.5565 -4.5555 -3.9395 -3.9388 -2.3911 -2.3782 -2.1205 -2.0982 -1.9604 -1.9524 -1.9091 -1.8918 -0.7656 -0.7614 -0.4826 -0.4775 0.7229 0.7243 0.7882 0.7889 3.4482 3.4509 3.8058 3.8071 5.7741 5.7786 5.8208 5.8221 k = 0.0000 0.6405 0.3272 ( 5076 PWs) bands (ev): -22.4560 -22.4560 -22.4483 -22.4483 -18.4658 -18.4658 -18.4657 -18.4657 -14.0814 -14.0814 -13.9333 -13.9333 -7.1383 -7.1377 -6.9530 -6.9528 -6.4081 -6.4054 -6.3894 -6.3861 -5.9542 -5.9496 -5.9299 -5.9247 -4.5480 -4.5470 -3.9508 -3.9501 -2.3922 -2.3786 -2.1230 -2.0990 -1.9556 -1.9468 -1.9101 -1.8913 -0.7521 -0.7478 -0.4717 -0.4664 0.7185 0.7198 0.7811 0.7819 3.4609 3.4637 3.8038 3.8052 5.7908 5.7953 5.8240 5.8255 k = 0.0000 0.6405 0.3476 ( 5074 PWs) bands (ev): -22.4554 -22.4554 -22.4480 -22.4480 -18.4656 -18.4656 -18.4655 -18.4655 -14.0780 -14.0780 -13.9351 -13.9350 -7.1405 -7.1400 -6.9645 -6.9642 -6.4208 -6.4182 -6.4046 -6.4013 -5.9459 -5.9412 -5.9228 -5.9177 -4.5390 -4.5379 -3.9627 -3.9619 -2.3931 -2.3787 -2.1263 -2.1007 -1.9505 -1.9411 -1.9105 -1.8903 -0.7381 -0.7337 -0.4612 -0.4558 0.7140 0.7154 0.7739 0.7748 3.4738 3.4768 3.8016 3.8031 5.8073 5.8116 5.8273 5.8292 k = 0.0000 0.6405 0.3681 ( 5076 PWs) bands (ev): -22.4549 -22.4549 -22.4478 -22.4478 -18.4654 -18.4654 -18.4653 -18.4653 -14.0745 -14.0745 -13.9369 -13.9369 -7.1428 -7.1422 -6.9761 -6.9758 -6.4332 -6.4306 -6.4194 -6.4162 -5.9380 -5.9332 -5.9161 -5.9110 -4.5294 -4.5283 -3.9751 -3.9743 -2.3937 -2.3785 -2.1304 -2.1035 -1.9452 -1.9351 -1.9105 -1.8890 -0.7235 -0.7191 -0.4511 -0.4456 0.7095 0.7109 0.7666 0.7676 3.4870 3.4901 3.7993 3.8009 5.8230 5.8257 5.8307 5.8346 k = 0.0000 0.6405 0.3885 ( 5068 PWs) bands (ev): -22.4543 -22.4543 -22.4475 -22.4475 -18.4652 -18.4651 -18.4651 -18.4650 -14.0708 -14.0708 -13.9389 -13.9388 -7.1450 -7.1444 -6.9878 -6.9875 -6.4453 -6.4428 -6.4337 -6.4307 -5.9304 -5.9256 -5.9098 -5.9046 -4.5193 -4.5182 -3.9880 -3.9872 -2.3939 -2.3779 -2.1353 -2.1073 -1.9399 -1.9291 -1.9098 -1.8874 -0.7085 -0.7041 -0.4416 -0.4361 0.7051 0.7066 0.7593 0.7603 3.5004 3.5036 3.7969 3.7986 5.8320 5.8324 5.8402 5.8465 k = 0.0000 0.6405 0.4090 ( 5070 PWs) bands (ev): -22.4538 -22.4538 -22.4472 -22.4472 -18.4649 -18.4649 -18.4648 -18.4648 -14.0670 -14.0670 -13.9409 -13.9409 -7.1472 -7.1466 -6.9995 -6.9992 -6.4571 -6.4546 -6.4475 -6.4446 -5.9231 -5.9183 -5.9038 -5.8986 -4.5088 -4.5076 -4.0014 -4.0005 -2.3936 -2.3770 -2.1411 -2.1122 -1.9345 -1.9230 -1.9086 -1.8854 -0.6932 -0.6887 -0.4329 -0.4273 0.7008 0.7023 0.7521 0.7531 3.5139 3.5171 3.7943 3.7961 5.8350 5.8358 5.8546 5.8608 k = 0.0000 0.6405 0.4294 ( 5070 PWs) bands (ev): -22.4532 -22.4532 -22.4470 -22.4470 -18.4647 -18.4647 -18.4646 -18.4646 -14.0631 -14.0631 -13.9431 -13.9431 -7.1493 -7.1487 -7.0111 -7.0109 -6.4684 -6.4660 -6.4608 -6.4580 -5.9162 -5.9114 -5.8982 -5.8930 -4.4977 -4.4965 -4.0153 -4.0143 -2.3928 -2.3755 -2.1476 -2.1180 -1.9291 -1.9170 -1.9070 -1.8832 -0.6776 -0.6731 -0.4250 -0.4193 0.6966 0.6982 0.7449 0.7460 3.5274 3.5307 3.7915 3.7935 5.8375 5.8384 5.8684 5.8744 k = 0.0000 0.6405 0.4499 ( 5076 PWs) bands (ev): -22.4526 -22.4526 -22.4467 -22.4467 -18.4645 -18.4645 -18.4644 -18.4644 -14.0591 -14.0591 -13.9455 -13.9455 -7.1513 -7.1507 -7.0226 -7.0224 -6.4793 -6.4769 -6.4735 -6.4708 -5.9096 -5.9048 -5.8929 -5.8878 -4.4862 -4.4849 -4.0295 -4.0285 -2.3915 -2.3736 -2.1548 -2.1248 -1.9237 -1.9110 -1.9049 -1.8807 -0.6618 -0.6573 -0.4180 -0.4123 0.6927 0.6942 0.7378 0.7389 3.5409 3.5443 3.7886 3.7906 5.8397 5.8408 5.8809 5.8868 k = 0.0000 0.6405 0.4703 ( 5092 PWs) bands (ev): -22.4520 -22.4520 -22.4465 -22.4465 -18.4643 -18.4643 -18.4642 -18.4642 -14.0550 -14.0550 -13.9480 -13.9479 -7.1532 -7.1526 -7.0340 -7.0337 -6.4898 -6.4874 -6.4855 -6.4829 -5.9035 -5.8986 -5.8880 -5.8829 -4.4742 -4.4729 -4.0441 -4.0431 -2.3897 -2.3712 -2.1627 -2.1324 -1.9185 -1.9051 -1.9024 -1.8781 -0.6458 -0.6413 -0.4120 -0.4063 0.6888 0.6904 0.7309 0.7321 3.5543 3.5577 3.7854 3.7876 5.8419 5.8431 5.8918 5.8976 k = 0.0000 0.6405 0.4908 ( 5096 PWs) bands (ev): -22.4515 -22.4515 -22.4463 -22.4463 -18.4641 -18.4641 -18.4640 -18.4640 -14.0508 -14.0508 -13.9505 -13.9505 -7.1549 -7.1543 -7.0450 -7.0447 -6.4997 -6.4974 -6.4967 -6.4943 -5.8977 -5.8928 -5.8835 -5.8783 -4.4618 -4.4605 -4.0590 -4.0580 -2.3873 -2.3682 -2.1712 -2.1408 -1.9134 -1.8998 -1.8993 -1.8753 -0.6297 -0.6252 -0.4070 -0.4013 0.6853 0.6868 0.7242 0.7254 3.5676 3.5710 3.7821 3.7843 5.8441 5.8454 5.9011 5.9067 k = 0.0000 0.6405 0.5112 ( 5102 PWs) bands (ev): -22.4509 -22.4509 -22.4461 -22.4461 -18.4639 -18.4639 -18.4638 -18.4638 -14.0466 -14.0466 -13.9533 -13.9532 -7.1564 -7.1558 -7.0557 -7.0555 -6.5092 -6.5072 -6.5068 -6.5049 -5.8923 -5.8874 -5.8793 -5.8741 -4.4489 -4.4476 -4.0743 -4.0732 -2.3843 -2.3646 -2.1802 -2.1499 -1.9084 -1.8969 -1.8938 -1.8726 -0.6137 -0.6092 -0.4032 -0.3975 0.6820 0.6835 0.7177 0.7190 3.5806 3.5841 3.7785 3.7809 5.8463 5.8477 5.9085 5.9139 k = 0.0000 0.6405 0.5317 ( 5098 PWs) bands (ev): -22.4504 -22.4504 -22.4460 -22.4460 -18.4637 -18.4637 -18.4637 -18.4636 -14.0423 -14.0423 -13.9561 -13.9561 -7.1577 -7.1571 -7.0661 -7.0658 -6.5182 -6.5167 -6.5156 -6.5148 -5.8872 -5.8823 -5.8755 -5.8703 -4.4356 -4.4343 -4.0898 -4.0887 -2.3807 -2.3604 -2.1896 -2.1595 -1.9037 -1.8940 -1.8885 -1.8698 -0.5977 -0.5932 -0.4004 -0.3948 0.6789 0.6805 0.7116 0.7129 3.5935 3.5970 3.7746 3.7771 5.8487 5.8501 5.9140 5.9191 k = 0.0000 0.6405 0.5521 ( 5086 PWs) bands (ev): -22.4499 -22.4499 -22.4458 -22.4458 -18.4635 -18.4635 -18.4635 -18.4635 -14.0380 -14.0380 -13.9591 -13.9591 -7.1586 -7.1581 -7.0760 -7.0758 -6.5268 -6.5253 -6.5239 -6.5237 -5.8826 -5.8776 -5.8720 -5.8668 -4.4220 -4.4206 -4.1056 -4.1044 -2.3765 -2.3557 -2.1995 -2.1695 -1.8993 -1.8910 -1.8835 -1.8671 -0.5819 -0.5773 -0.3989 -0.3933 0.6762 0.6778 0.7057 0.7071 3.6060 3.6095 3.7705 3.7731 5.8513 5.8527 5.9177 5.9225 k = 0.0000 0.6405 0.5726 ( 5090 PWs) bands (ev): -22.4494 -22.4494 -22.4457 -22.4457 -18.4634 -18.4634 -18.4633 -18.4633 -14.0337 -14.0336 -13.9622 -13.9622 -7.1593 -7.1588 -7.0855 -7.0853 -6.5347 -6.5330 -6.5320 -6.5313 -5.8783 -5.8734 -5.8689 -5.8637 -4.4080 -4.4066 -4.1215 -4.1203 -2.3716 -2.3503 -2.2096 -2.1800 -1.8951 -1.8882 -1.8788 -1.8646 -0.5663 -0.5617 -0.3985 -0.3930 0.6738 0.6753 0.7002 0.7017 3.6182 3.6217 3.7661 3.7688 5.8541 5.8556 5.9196 5.9240 k = 0.0000 0.6405 0.5930 ( 5088 PWs) bands (ev): -22.4489 -22.4489 -22.4456 -22.4456 -18.4632 -18.4632 -18.4632 -18.4632 -14.0293 -14.0293 -13.9654 -13.9654 -7.1596 -7.1591 -7.0945 -7.0942 -6.5419 -6.5399 -6.5394 -6.5382 -5.8745 -5.8695 -5.8662 -5.8610 -4.3936 -4.3922 -4.1377 -4.1365 -2.3662 -2.3443 -2.2200 -2.1907 -1.8913 -1.8855 -1.8745 -1.8622 -0.5510 -0.5464 -0.3994 -0.3939 0.6717 0.6733 0.6951 0.6966 3.6301 3.6336 3.7614 3.7641 5.8571 5.8587 5.9199 5.9240 k = 0.0000 0.6405 0.6135 ( 5096 PWs) bands (ev): -22.4485 -22.4485 -22.4456 -22.4456 -18.4631 -18.4631 -18.4631 -18.4631 -14.0249 -14.0249 -13.9687 -13.9687 -7.1596 -7.1591 -7.1029 -7.1027 -6.5482 -6.5462 -6.5458 -6.5444 -5.8710 -5.8661 -5.8638 -5.8587 -4.3789 -4.3775 -4.1540 -4.1527 -2.3602 -2.3378 -2.2305 -2.2016 -1.8878 -1.8830 -1.8705 -1.8601 -0.5360 -0.5314 -0.4015 -0.3960 0.6700 0.6716 0.6904 0.6919 3.6415 3.6451 3.7563 3.7591 5.8605 5.8621 5.9189 5.9226 k = 0.0000 0.6405 0.6339 ( 5088 PWs) bands (ev): -22.4481 -22.4481 -22.4456 -22.4456 -18.4630 -18.4630 -18.4630 -18.4629 -14.0206 -14.0205 -13.9722 -13.9722 -7.1591 -7.1586 -7.1108 -7.1105 -6.5537 -6.5516 -6.5514 -6.5499 -5.8680 -5.8630 -5.8618 -5.8567 -4.3639 -4.3625 -4.1703 -4.1691 -2.3535 -2.3307 -2.2412 -2.2127 -1.8848 -1.8808 -1.8669 -1.8583 -0.5215 -0.5168 -0.4047 -0.3993 0.6687 0.6703 0.6861 0.6876 3.6526 3.6561 3.7508 3.7538 5.8642 5.8658 5.9167 5.9202 k = 0.0000 0.6405 0.6544 ( 5088 PWs) bands (ev): -22.4477 -22.4477 -22.4456 -22.4456 -18.4629 -18.4629 -18.4629 -18.4628 -14.0162 -14.0162 -13.9758 -13.9757 -7.1581 -7.1577 -7.1181 -7.1178 -6.5583 -6.5563 -6.5561 -6.5546 -5.8653 -5.8603 -5.8602 -5.8551 -4.3487 -4.3473 -4.1868 -4.1855 -2.3464 -2.3230 -2.2518 -2.2238 -1.8821 -1.8789 -1.8638 -1.8567 -0.5075 -0.5028 -0.4091 -0.4038 0.6678 0.6693 0.6822 0.6837 3.6633 3.6668 3.7450 3.7480 5.8681 5.8699 5.9137 5.9168 k = 0.0000 0.6405 0.6748 ( 5088 PWs) bands (ev): -22.4473 -22.4473 -22.4456 -22.4456 -18.4628 -18.4628 -18.4628 -18.4628 -14.0119 -14.0119 -13.9794 -13.9794 -7.1567 -7.1562 -7.1248 -7.1245 -6.5620 -6.5603 -6.5599 -6.5585 -5.8630 -5.8590 -5.8580 -5.8539 -4.3332 -4.3318 -4.2033 -4.2020 -2.3387 -2.3148 -2.2624 -2.2348 -1.8798 -1.8773 -1.8611 -1.8556 -0.4940 -0.4893 -0.4146 -0.4094 0.6672 0.6688 0.6787 0.6803 3.6735 3.6769 3.7388 3.7419 5.8723 5.8742 5.9099 5.9128 k = 0.0000 0.6405 0.6953 ( 5094 PWs) bands (ev): -22.4470 -22.4470 -22.4457 -22.4457 -18.4627 -18.4627 -18.4627 -18.4627 -14.0076 -14.0076 -13.9832 -13.9832 -7.1547 -7.1543 -7.1309 -7.1306 -6.5648 -6.5635 -6.5628 -6.5617 -5.8612 -5.8581 -5.8561 -5.8530 -4.3174 -4.3160 -4.2198 -4.2185 -2.3305 -2.3061 -2.2729 -2.2458 -1.8780 -1.8761 -1.8589 -1.8548 -0.4812 -0.4764 -0.4213 -0.4161 0.6671 0.6687 0.6757 0.6773 3.6832 3.6867 3.7322 3.7353 5.8768 5.8787 5.9056 5.9083 k = 0.0000 0.6405 0.7157 ( 5086 PWs) bands (ev): -22.4467 -22.4467 -22.4458 -22.4458 -18.4627 -18.4627 -18.4627 -18.4627 -14.0034 -14.0033 -13.9871 -13.9871 -7.1522 -7.1518 -7.1364 -7.1361 -6.5667 -6.5658 -6.5648 -6.5640 -5.8597 -5.8577 -5.8546 -5.8526 -4.3015 -4.3001 -4.2363 -4.2350 -2.3218 -2.2970 -2.2833 -2.2566 -1.8765 -1.8753 -1.8570 -1.8543 -0.4691 -0.4642 -0.4289 -0.4238 0.6675 0.6690 0.6732 0.6747 3.6925 3.6959 3.7251 3.7283 5.8815 5.8835 5.9010 5.9035 k = 0.0000 0.6405 0.7362 ( 5082 PWs) bands (ev): -22.4464 -22.4464 -22.4460 -22.4460 -18.4627 -18.4626 -18.4626 -18.4626 -13.9992 -13.9992 -13.9910 -13.9910 -7.1492 -7.1488 -7.1413 -7.1409 -6.5678 -6.5673 -6.5659 -6.5655 -5.8586 -5.8576 -5.8535 -5.8525 -4.2854 -4.2840 -4.2528 -4.2514 -2.3127 -2.2934 -2.2874 -2.2671 -1.8756 -1.8750 -1.8557 -1.8544 -0.4577 -0.4528 -0.4376 -0.4325 0.6682 0.6698 0.6711 0.6726 3.7014 3.7047 3.7177 3.7209 5.8863 5.8884 5.8962 5.8985 k = 0.0000 0.6405 0.7566 ( 5080 PWs) bands (ev): -22.4462 -22.4462 -22.4462 -22.4462 -18.4626 -18.4626 -18.4626 -18.4626 -13.9951 -13.9951 -13.9951 -13.9951 -7.1455 -7.1455 -7.1452 -7.1452 -6.5680 -6.5680 -6.5661 -6.5661 -5.8579 -5.8579 -5.8528 -5.8528 -4.2691 -4.2691 -4.2678 -4.2678 -2.3032 -2.3032 -2.2774 -2.2774 -1.8751 -1.8751 -1.8548 -1.8548 -0.4472 -0.4472 -0.4422 -0.4422 0.6694 0.6694 0.6710 0.6710 3.7097 3.7097 3.7131 3.7131 5.8913 5.8913 5.8935 5.8935 k = 0.0000 0.6405 0.7566 ( 5080 PWs) bands (ev): -22.4462 -22.4462 -22.4462 -22.4462 -18.4626 -18.4626 -18.4626 -18.4626 -13.9951 -13.9951 -13.9951 -13.9951 -7.1455 -7.1455 -7.1452 -7.1452 -6.5680 -6.5680 -6.5661 -6.5661 -5.8579 -5.8579 -5.8528 -5.8528 -4.2691 -4.2691 -4.2678 -4.2678 -2.3032 -2.3032 -2.2774 -2.2774 -1.8751 -1.8751 -1.8548 -1.8548 -0.4472 -0.4472 -0.4422 -0.4422 0.6694 0.6694 0.6710 0.6710 3.7097 3.7097 3.7131 3.7131 5.8913 5.8913 5.8935 5.8935 k = 0.0205 0.6405 0.7566 ( 5086 PWs) bands (ev): -22.4462 -22.4462 -22.4462 -22.4462 -18.4627 -18.4627 -18.4626 -18.4626 -13.9951 -13.9951 -13.9950 -13.9950 -7.1455 -7.1455 -7.1451 -7.1451 -6.5680 -6.5680 -6.5661 -6.5661 -5.8580 -5.8580 -5.8529 -5.8529 -4.2689 -4.2689 -4.2675 -4.2675 -2.3035 -2.3035 -2.2778 -2.2778 -1.8748 -1.8748 -1.8545 -1.8545 -0.4471 -0.4471 -0.4421 -0.4421 0.6691 0.6691 0.6707 0.6707 3.7098 3.7098 3.7132 3.7132 5.8910 5.8910 5.8935 5.8935 k = 0.0410 0.6405 0.7566 ( 5090 PWs) bands (ev): -22.4462 -22.4462 -22.4462 -22.4462 -18.4627 -18.4627 -18.4627 -18.4627 -13.9950 -13.9950 -13.9950 -13.9950 -7.1454 -7.1454 -7.1450 -7.1450 -6.5682 -6.5682 -6.5663 -6.5663 -5.8583 -5.8583 -5.8533 -5.8533 -4.2682 -4.2682 -4.2669 -4.2669 -2.3046 -2.3046 -2.2788 -2.2788 -1.8741 -1.8741 -1.8538 -1.8538 -0.4468 -0.4468 -0.4418 -0.4418 0.6681 0.6681 0.6700 0.6700 3.7101 3.7101 3.7136 3.7136 5.8904 5.8904 5.8934 5.8934 k = 0.0615 0.6405 0.7566 ( 5090 PWs) bands (ev): -22.4462 -22.4462 -22.4462 -22.4462 -18.4627 -18.4627 -18.4627 -18.4627 -13.9949 -13.9949 -13.9949 -13.9949 -7.1452 -7.1452 -7.1448 -7.1448 -6.5683 -6.5683 -6.5664 -6.5664 -5.8589 -5.8589 -5.8538 -5.8538 -4.2672 -4.2672 -4.2658 -4.2658 -2.3064 -2.3064 -2.2805 -2.2805 -1.8730 -1.8730 -1.8525 -1.8525 -0.4464 -0.4464 -0.4413 -0.4413 0.6665 0.6665 0.6688 0.6688 3.7107 3.7107 3.7142 3.7142 5.8896 5.8896 5.8933 5.8933 k = 0.0821 0.6405 0.7566 ( 5100 PWs) bands (ev): -22.4462 -22.4462 -22.4462 -22.4462 -18.4628 -18.4628 -18.4627 -18.4627 -13.9948 -13.9948 -13.9948 -13.9948 -7.1449 -7.1449 -7.1446 -7.1446 -6.5686 -6.5686 -6.5667 -6.5667 -5.8596 -5.8596 -5.8546 -5.8546 -4.2657 -4.2657 -4.2643 -4.2643 -2.3087 -2.3087 -2.2828 -2.2828 -1.8715 -1.8715 -1.8508 -1.8508 -0.4458 -0.4458 -0.4406 -0.4406 0.6644 0.6644 0.6671 0.6671 3.7113 3.7113 3.7150 3.7150 5.8886 5.8886 5.8931 5.8931 k = 0.1026 0.6405 0.7566 ( 5100 PWs) bands (ev): -22.4462 -22.4462 -22.4462 -22.4462 -18.4628 -18.4628 -18.4628 -18.4628 -13.9947 -13.9947 -13.9947 -13.9947 -7.1446 -7.1446 -7.1442 -7.1442 -6.5688 -6.5688 -6.5669 -6.5669 -5.8606 -5.8606 -5.8555 -5.8555 -4.2640 -4.2640 -4.2625 -4.2625 -2.3115 -2.3115 -2.2856 -2.2856 -1.8696 -1.8696 -1.8487 -1.8487 -0.4450 -0.4450 -0.4397 -0.4397 0.6619 0.6619 0.6649 0.6649 3.7122 3.7122 3.7160 3.7160 5.8876 5.8876 5.8928 5.8928 k = 0.1231 0.6405 0.7566 ( 5100 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4629 -18.4629 -18.4629 -18.4629 -13.9945 -13.9945 -13.9945 -13.9945 -7.1443 -7.1443 -7.1439 -7.1439 -6.5689 -6.5689 -6.5670 -6.5670 -5.8618 -5.8618 -5.8567 -5.8567 -4.2619 -4.2619 -4.2605 -4.2605 -2.3146 -2.3146 -2.2887 -2.2887 -1.8675 -1.8675 -1.8464 -1.8464 -0.4442 -0.4442 -0.4387 -0.4387 0.6589 0.6589 0.6623 0.6623 3.7132 3.7132 3.7171 3.7171 5.8867 5.8867 5.8925 5.8925 k = 0.1436 0.6405 0.7566 ( 5094 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4630 -18.4630 -18.4630 -18.4630 -13.9943 -13.9943 -13.9943 -13.9943 -7.1439 -7.1439 -7.1436 -7.1436 -6.5690 -6.5690 -6.5671 -6.5671 -5.8632 -5.8632 -5.8581 -5.8581 -4.2597 -4.2597 -4.2583 -4.2583 -2.3180 -2.3180 -2.2920 -2.2920 -1.8653 -1.8653 -1.8440 -1.8440 -0.4433 -0.4433 -0.4377 -0.4377 0.6556 0.6556 0.6594 0.6594 3.7144 3.7144 3.7184 3.7184 5.8859 5.8859 5.8923 5.8923 k = 0.1641 0.6405 0.7566 ( 5094 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4631 -18.4631 -18.4631 -18.4631 -13.9941 -13.9941 -13.9941 -13.9941 -7.1436 -7.1436 -7.1432 -7.1432 -6.5689 -6.5689 -6.5670 -6.5670 -5.8648 -5.8648 -5.8598 -5.8598 -4.2574 -4.2574 -4.2560 -4.2560 -2.3213 -2.3213 -2.2953 -2.2953 -1.8630 -1.8630 -1.8415 -1.8415 -0.4423 -0.4423 -0.4367 -0.4367 0.6521 0.6521 0.6563 0.6563 3.7156 3.7156 3.7198 3.7198 5.8854 5.8854 5.8923 5.8923 k = 0.1846 0.6405 0.7566 ( 5100 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4632 -18.4632 -18.4632 -18.4632 -13.9939 -13.9939 -13.9939 -13.9939 -7.1433 -7.1433 -7.1429 -7.1429 -6.5686 -6.5686 -6.5667 -6.5667 -5.8667 -5.8667 -5.8616 -5.8616 -4.2552 -4.2552 -4.2537 -4.2537 -2.3246 -2.3246 -2.2986 -2.2986 -1.8607 -1.8607 -1.8391 -1.8391 -0.4414 -0.4414 -0.4356 -0.4356 0.6485 0.6485 0.6530 0.6530 3.7169 3.7169 3.7213 3.7213 5.8851 5.8851 5.8925 5.8925 k = 0.2051 0.6405 0.7566 ( 5096 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4633 -18.4633 -18.4633 -18.4633 -13.9937 -13.9937 -13.9937 -13.9937 -7.1430 -7.1430 -7.1425 -7.1425 -6.5681 -6.5681 -6.5661 -6.5661 -5.8688 -5.8688 -5.8637 -5.8637 -4.2529 -4.2529 -4.2515 -4.2515 -2.3276 -2.3276 -2.3017 -2.3017 -1.8586 -1.8586 -1.8369 -1.8369 -0.4405 -0.4405 -0.4347 -0.4347 0.6449 0.6449 0.6496 0.6496 3.7183 3.7183 3.7227 3.7227 5.8853 5.8853 5.8930 5.8930 k = 0.2256 0.6405 0.7566 ( 5096 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4634 -18.4634 -18.4633 -18.4633 -13.9935 -13.9935 -13.9935 -13.9935 -7.1427 -7.1427 -7.1423 -7.1423 -6.5672 -6.5672 -6.5652 -6.5652 -5.8711 -5.8711 -5.8660 -5.8660 -4.2509 -4.2509 -4.2494 -4.2494 -2.3302 -2.3302 -2.3044 -2.3044 -1.8566 -1.8566 -1.8349 -1.8349 -0.4398 -0.4398 -0.4338 -0.4338 0.6414 0.6414 0.6463 0.6463 3.7196 3.7196 3.7241 3.7241 5.8858 5.8858 5.8938 5.8938 k = 0.2462 0.6405 0.7566 ( 5088 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4635 -18.4635 -18.4634 -18.4634 -13.9933 -13.9933 -13.9933 -13.9933 -7.1425 -7.1425 -7.1420 -7.1420 -6.5660 -6.5660 -6.5640 -6.5640 -5.8736 -5.8736 -5.8685 -5.8685 -4.2491 -4.2491 -4.2476 -4.2476 -2.3323 -2.3323 -2.3066 -2.3066 -1.8550 -1.8550 -1.8333 -1.8333 -0.4391 -0.4391 -0.4331 -0.4331 0.6381 0.6381 0.6432 0.6432 3.7209 3.7209 3.7255 3.7255 5.8867 5.8867 5.8949 5.8949 k = 0.2667 0.6405 0.7566 ( 5094 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4636 -18.4636 -18.4635 -18.4635 -13.9931 -13.9931 -13.9931 -13.9931 -7.1423 -7.1423 -7.1419 -7.1419 -6.5645 -6.5645 -6.5625 -6.5625 -5.8763 -5.8763 -5.8712 -5.8712 -4.2476 -4.2476 -4.2461 -4.2461 -2.3339 -2.3339 -2.3083 -2.3083 -1.8539 -1.8539 -1.8321 -1.8321 -0.4386 -0.4386 -0.4326 -0.4326 0.6351 0.6351 0.6403 0.6403 3.7221 3.7221 3.7267 3.7267 5.8881 5.8881 5.8964 5.8964 k = 0.2872 0.6405 0.7566 ( 5090 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4636 -18.4636 -18.4636 -18.4636 -13.9929 -13.9929 -13.9929 -13.9929 -7.1421 -7.1421 -7.1417 -7.1417 -6.5625 -6.5625 -6.5605 -6.5605 -5.8792 -5.8792 -5.8741 -5.8741 -4.2464 -4.2464 -4.2449 -4.2449 -2.3348 -2.3348 -2.3093 -2.3093 -1.8532 -1.8532 -1.8315 -1.8315 -0.4382 -0.4382 -0.4322 -0.4322 0.6325 0.6325 0.6378 0.6378 3.7232 3.7232 3.7279 3.7279 5.8898 5.8898 5.8982 5.8982 k = 0.3077 0.6405 0.7566 ( 5084 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4637 -18.4637 -18.4637 -18.4637 -13.9928 -13.9928 -13.9927 -13.9927 -7.1420 -7.1420 -7.1416 -7.1416 -6.5602 -6.5602 -6.5582 -6.5582 -5.8823 -5.8823 -5.8772 -5.8772 -4.2457 -4.2457 -4.2442 -4.2442 -2.3349 -2.3349 -2.3096 -2.3096 -1.8530 -1.8530 -1.8315 -1.8315 -0.4380 -0.4380 -0.4321 -0.4321 0.6305 0.6305 0.6358 0.6358 3.7242 3.7242 3.7288 3.7288 5.8919 5.8919 5.9003 5.9003 k = 0.3077 0.6405 0.7566 ( 5084 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4637 -18.4637 -18.4637 -18.4637 -13.9928 -13.9928 -13.9927 -13.9927 -7.1420 -7.1420 -7.1416 -7.1416 -6.5602 -6.5602 -6.5582 -6.5582 -5.8823 -5.8823 -5.8772 -5.8772 -4.2457 -4.2457 -4.2442 -4.2442 -2.3349 -2.3349 -2.3096 -2.3096 -1.8530 -1.8530 -1.8315 -1.8315 -0.4380 -0.4380 -0.4321 -0.4321 0.6305 0.6305 0.6358 0.6358 3.7242 3.7242 3.7288 3.7288 5.8919 5.8919 5.9003 5.9003 k = 0.2989 0.6222 0.7566 ( 5092 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4636 -18.4636 -18.4635 -18.4635 -13.9931 -13.9931 -13.9931 -13.9931 -7.1422 -7.1422 -7.1417 -7.1417 -6.5656 -6.5656 -6.5636 -6.5636 -5.8755 -5.8755 -5.8704 -5.8704 -4.2469 -4.2469 -4.2454 -4.2454 -2.3353 -2.3353 -2.3096 -2.3096 -1.8530 -1.8530 -1.8312 -1.8312 -0.4382 -0.4382 -0.4321 -0.4321 0.6346 0.6346 0.6400 0.6400 3.7221 3.7221 3.7268 3.7268 5.8868 5.8868 5.8952 5.8952 k = 0.2901 0.6039 0.7566 ( 5092 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4634 -18.4634 -18.4634 -18.4634 -13.9934 -13.9934 -13.9934 -13.9934 -7.1421 -7.1421 -7.1416 -7.1416 -6.5702 -6.5702 -6.5682 -6.5682 -5.8697 -5.8697 -5.8646 -5.8646 -4.2481 -4.2481 -4.2466 -4.2466 -2.3355 -2.3355 -2.3094 -2.3094 -1.8536 -1.8536 -1.8315 -1.8315 -0.4383 -0.4383 -0.4321 -0.4321 0.6393 0.6393 0.6447 0.6447 3.7199 3.7199 3.7247 3.7247 5.8819 5.8819 5.8904 5.8904 k = 0.2813 0.5856 0.7566 ( 5090 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4632 -18.4632 -18.4632 -18.4632 -13.9938 -13.9938 -13.9938 -13.9938 -7.1417 -7.1417 -7.1413 -7.1413 -6.5740 -6.5740 -6.5721 -6.5721 -5.8649 -5.8649 -5.8597 -5.8597 -4.2493 -4.2493 -4.2478 -4.2478 -2.3356 -2.3356 -2.3092 -2.3092 -1.8549 -1.8549 -1.8325 -1.8325 -0.4383 -0.4383 -0.4321 -0.4321 0.6446 0.6446 0.6499 0.6499 3.7177 3.7177 3.7225 3.7225 5.8772 5.8772 5.8856 5.8856 k = 0.2725 0.5673 0.7566 ( 5086 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4631 -18.4631 -18.4630 -18.4630 -13.9941 -13.9941 -13.9941 -13.9941 -7.1412 -7.1412 -7.1407 -7.1407 -6.5770 -6.5770 -6.5751 -6.5751 -5.8611 -5.8611 -5.8560 -5.8560 -4.2506 -4.2506 -4.2490 -4.2490 -2.3355 -2.3355 -2.3088 -2.3088 -1.8570 -1.8570 -1.8342 -1.8342 -0.4382 -0.4382 -0.4319 -0.4319 0.6504 0.6504 0.6557 0.6557 3.7155 3.7155 3.7203 3.7203 5.8726 5.8726 5.8811 5.8811 k = 0.2637 0.5490 0.7566 ( 5074 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4629 -18.4629 -18.4629 -18.4629 -13.9945 -13.9945 -13.9945 -13.9945 -7.1403 -7.1403 -7.1399 -7.1399 -6.5793 -6.5793 -6.5774 -6.5774 -5.8583 -5.8583 -5.8532 -5.8532 -4.2518 -4.2518 -4.2503 -4.2503 -2.3353 -2.3353 -2.3083 -2.3083 -1.8597 -1.8597 -1.8366 -1.8366 -0.4381 -0.4381 -0.4317 -0.4317 0.6568 0.6568 0.6621 0.6621 3.7132 3.7132 3.7180 3.7180 5.8682 5.8682 5.8767 5.8767 k = 0.2550 0.5307 0.7566 ( 5082 PWs) bands (ev): -22.4462 -22.4462 -22.4462 -22.4462 -18.4627 -18.4627 -18.4627 -18.4627 -13.9949 -13.9949 -13.9948 -13.9948 -7.1392 -7.1392 -7.1388 -7.1388 -6.5807 -6.5807 -6.5788 -6.5788 -5.8567 -5.8567 -5.8516 -5.8516 -4.2530 -4.2530 -4.2515 -4.2515 -2.3350 -2.3350 -2.3078 -2.3078 -1.8631 -1.8631 -1.8398 -1.8398 -0.4378 -0.4378 -0.4315 -0.4315 0.6637 0.6637 0.6689 0.6689 3.7109 3.7109 3.7157 3.7157 5.8640 5.8640 5.8725 5.8725 k = 0.2462 0.5124 0.7566 ( 5080 PWs) bands (ev): -22.4462 -22.4462 -22.4462 -22.4462 -18.4626 -18.4626 -18.4626 -18.4626 -13.9952 -13.9952 -13.9952 -13.9952 -7.1379 -7.1379 -7.1374 -7.1374 -6.5814 -6.5814 -6.5795 -6.5795 -5.8561 -5.8561 -5.8510 -5.8510 -4.2542 -4.2542 -4.2527 -4.2527 -2.3346 -2.3346 -2.3071 -2.3071 -1.8673 -1.8673 -1.8437 -1.8437 -0.4375 -0.4375 -0.4311 -0.4311 0.6712 0.6712 0.6764 0.6764 3.7085 3.7085 3.7134 3.7134 5.8600 5.8600 5.8685 5.8685 k = 0.2374 0.4941 0.7566 ( 5076 PWs) bands (ev): -22.4462 -22.4462 -22.4462 -22.4462 -18.4624 -18.4624 -18.4624 -18.4624 -13.9956 -13.9956 -13.9956 -13.9956 -7.1362 -7.1362 -7.1358 -7.1358 -6.5813 -6.5813 -6.5793 -6.5793 -5.8567 -5.8567 -5.8516 -5.8516 -4.2553 -4.2553 -4.2539 -4.2539 -2.3341 -2.3341 -2.3064 -2.3064 -1.8721 -1.8721 -1.8483 -1.8483 -0.4371 -0.4371 -0.4308 -0.4308 0.6792 0.6792 0.6843 0.6843 3.7062 3.7062 3.7110 3.7110 5.8562 5.8562 5.8647 5.8647 k = 0.2286 0.4758 0.7566 ( 5080 PWs) bands (ev): -22.4462 -22.4462 -22.4462 -22.4462 -18.4623 -18.4623 -18.4622 -18.4622 -13.9960 -13.9960 -13.9960 -13.9960 -7.1344 -7.1344 -7.1339 -7.1339 -6.5803 -6.5803 -6.5784 -6.5784 -5.8583 -5.8583 -5.8532 -5.8532 -4.2565 -4.2565 -4.2550 -4.2550 -2.3334 -2.3334 -2.3055 -2.3055 -1.8776 -1.8776 -1.8536 -1.8536 -0.4366 -0.4366 -0.4303 -0.4303 0.6878 0.6878 0.6928 0.6928 3.7038 3.7038 3.7087 3.7087 5.8525 5.8525 5.8610 5.8610 k = 0.2198 0.4575 0.7566 ( 5080 PWs) bands (ev): -22.4463 -22.4463 -22.4463 -22.4463 -18.4621 -18.4621 -18.4621 -18.4621 -13.9963 -13.9963 -13.9963 -13.9963 -7.1323 -7.1323 -7.1318 -7.1318 -6.5786 -6.5786 -6.5766 -6.5766 -5.8610 -5.8610 -5.8559 -5.8559 -4.2575 -4.2575 -4.2561 -4.2561 -2.3327 -2.3327 -2.3046 -2.3046 -1.8839 -1.8839 -1.8596 -1.8596 -0.4361 -0.4361 -0.4299 -0.4299 0.6969 0.6969 0.7018 0.7018 3.7015 3.7015 3.7063 3.7063 5.8491 5.8491 5.8577 5.8577 k = 0.2110 0.4392 0.7566 ( 5084 PWs) bands (ev): -22.4463 -22.4463 -22.4463 -22.4463 -18.4619 -18.4619 -18.4619 -18.4619 -13.9967 -13.9967 -13.9967 -13.9967 -7.1299 -7.1299 -7.1294 -7.1294 -6.5761 -6.5761 -6.5741 -6.5741 -5.8647 -5.8647 -5.8597 -5.8597 -4.2586 -4.2586 -4.2572 -4.2572 -2.3318 -2.3318 -2.3035 -2.3035 -1.8907 -1.8907 -1.8662 -1.8662 -0.4355 -0.4355 -0.4294 -0.4294 0.7064 0.7064 0.7112 0.7112 3.6992 3.6992 3.7039 3.7039 5.8459 5.8459 5.8545 5.8545 k = 0.2022 0.4209 0.7566 ( 5072 PWs) bands (ev): -22.4463 -22.4463 -22.4463 -22.4463 -18.4618 -18.4618 -18.4618 -18.4618 -13.9971 -13.9971 -13.9971 -13.9971 -7.1274 -7.1274 -7.1269 -7.1269 -6.5727 -6.5727 -6.5707 -6.5707 -5.8695 -5.8695 -5.8645 -5.8645 -4.2595 -4.2595 -4.2581 -4.2581 -2.3307 -2.3307 -2.3023 -2.3023 -1.8982 -1.8982 -1.8735 -1.8735 -0.4348 -0.4348 -0.4288 -0.4288 0.7164 0.7164 0.7210 0.7210 3.6969 3.6969 3.7016 3.7016 5.8430 5.8430 5.8515 5.8515 k = 0.1934 0.4026 0.7566 ( 5080 PWs) bands (ev): -22.4464 -22.4464 -22.4464 -22.4464 -18.4617 -18.4617 -18.4616 -18.4616 -13.9974 -13.9974 -13.9974 -13.9974 -7.1247 -7.1247 -7.1242 -7.1242 -6.5686 -6.5686 -6.5665 -6.5665 -5.8753 -5.8753 -5.8704 -5.8704 -4.2604 -4.2604 -4.2591 -4.2591 -2.3295 -2.3295 -2.3010 -2.3010 -1.9062 -1.9062 -1.8813 -1.8813 -0.4341 -0.4341 -0.4283 -0.4283 0.7267 0.7267 0.7311 0.7311 3.6946 3.6946 3.6992 3.6992 5.8403 5.8403 5.8488 5.8488 k = 0.1846 0.3843 0.7566 ( 5080 PWs) bands (ev): -22.4464 -22.4464 -22.4464 -22.4464 -18.4615 -18.4615 -18.4615 -18.4615 -13.9978 -13.9978 -13.9978 -13.9978 -7.1218 -7.1218 -7.1213 -7.1213 -6.5637 -6.5637 -6.5616 -6.5616 -5.8822 -5.8822 -5.8773 -5.8773 -4.2612 -4.2612 -4.2599 -4.2599 -2.3281 -2.3281 -2.2996 -2.2996 -1.9148 -1.9148 -1.8897 -1.8897 -0.4333 -0.4333 -0.4277 -0.4277 0.7373 0.7373 0.7416 0.7416 3.6924 3.6924 3.6969 3.6969 5.8378 5.8378 5.8463 5.8463 k = 0.1758 0.3660 0.7566 ( 5088 PWs) bands (ev): -22.4465 -22.4465 -22.4465 -22.4465 -18.4614 -18.4614 -18.4614 -18.4614 -13.9981 -13.9981 -13.9981 -13.9981 -7.1187 -7.1187 -7.1182 -7.1182 -6.5581 -6.5581 -6.5559 -6.5559 -5.8900 -5.8900 -5.8851 -5.8851 -4.2620 -4.2620 -4.2607 -4.2607 -2.3266 -2.3266 -2.2980 -2.2980 -1.9238 -1.9238 -1.8986 -1.8986 -0.4326 -0.4326 -0.4271 -0.4271 0.7481 0.7481 0.7522 0.7522 3.6902 3.6902 3.6946 3.6946 5.8356 5.8356 5.8441 5.8441 k = 0.1670 0.3477 0.7566 ( 5092 PWs) bands (ev): -22.4465 -22.4465 -22.4465 -22.4465 -18.4613 -18.4613 -18.4612 -18.4612 -13.9985 -13.9985 -13.9985 -13.9985 -7.1156 -7.1156 -7.1151 -7.1151 -6.5516 -6.5516 -6.5494 -6.5494 -5.8987 -5.8987 -5.8939 -5.8939 -4.2627 -4.2627 -4.2615 -4.2615 -2.3248 -2.3248 -2.2962 -2.2962 -1.9333 -1.9333 -1.9080 -1.9080 -0.4318 -0.4318 -0.4265 -0.4265 0.7592 0.7592 0.7631 0.7631 3.6881 3.6881 3.6924 3.6924 5.8337 5.8337 5.8421 5.8421 k = 0.1582 0.3294 0.7566 ( 5092 PWs) bands (ev): -22.4465 -22.4465 -22.4465 -22.4465 -18.4611 -18.4611 -18.4611 -18.4611 -13.9988 -13.9988 -13.9988 -13.9988 -7.1124 -7.1124 -7.1119 -7.1119 -6.5445 -6.5445 -6.5422 -6.5422 -5.9083 -5.9083 -5.9035 -5.9035 -4.2633 -4.2633 -4.2621 -4.2621 -2.3228 -2.3228 -2.2943 -2.2943 -1.9432 -1.9432 -1.9178 -1.9178 -0.4310 -0.4310 -0.4259 -0.4259 0.7703 0.7703 0.7740 0.7740 3.6861 3.6861 3.6902 3.6902 5.8320 5.8320 5.8404 5.8404 k = 0.1495 0.3111 0.7566 ( 5092 PWs) bands (ev): -22.4466 -22.4466 -22.4466 -22.4466 -18.4610 -18.4610 -18.4610 -18.4610 -13.9991 -13.9991 -13.9991 -13.9991 -7.1091 -7.1091 -7.1086 -7.1086 -6.5366 -6.5366 -6.5342 -6.5342 -5.9187 -5.9187 -5.9140 -5.9140 -4.2638 -4.2638 -4.2627 -4.2627 -2.3206 -2.3206 -2.2922 -2.2922 -1.9534 -1.9534 -1.9280 -1.9280 -0.4301 -0.4301 -0.4253 -0.4253 0.7814 0.7814 0.7849 0.7849 3.6841 3.6841 3.6881 3.6881 5.8307 5.8307 5.8390 5.8390 k = 0.1407 0.2928 0.7566 ( 5088 PWs) bands (ev): -22.4466 -22.4466 -22.4466 -22.4466 -18.4609 -18.4609 -18.4609 -18.4609 -13.9994 -13.9994 -13.9994 -13.9994 -7.1058 -7.1058 -7.1053 -7.1053 -6.5280 -6.5280 -6.5256 -6.5256 -5.9299 -5.9299 -5.9253 -5.9253 -4.2642 -4.2642 -4.2632 -4.2632 -2.3182 -2.3182 -2.2899 -2.2899 -1.9638 -1.9638 -1.9384 -1.9384 -0.4293 -0.4293 -0.4247 -0.4247 0.7925 0.7925 0.7958 0.7958 3.6822 3.6822 3.6860 3.6860 5.8297 5.8297 5.8379 5.8379 k = 0.1319 0.2745 0.7566 ( 5092 PWs) bands (ev): -22.4467 -22.4467 -22.4467 -22.4467 -18.4608 -18.4608 -18.4608 -18.4608 -13.9997 -13.9997 -13.9997 -13.9997 -7.1026 -7.1026 -7.1021 -7.1021 -6.5188 -6.5188 -6.5164 -6.5164 -5.9418 -5.9418 -5.9372 -5.9372 -4.2646 -4.2646 -4.2637 -4.2637 -2.3155 -2.3155 -2.2874 -2.2874 -1.9744 -1.9744 -1.9491 -1.9491 -0.4285 -0.4285 -0.4241 -0.4241 0.8035 0.8035 0.8066 0.8066 3.6804 3.6804 3.6840 3.6840 5.8289 5.8289 5.8371 5.8371 k = 0.1231 0.2562 0.7566 ( 5094 PWs) bands (ev): -22.4467 -22.4467 -22.4467 -22.4467 -18.4607 -18.4607 -18.4607 -18.4607 -14.0000 -14.0000 -14.0000 -14.0000 -7.0993 -7.0993 -7.0988 -7.0988 -6.5090 -6.5090 -6.5065 -6.5065 -5.9542 -5.9542 -5.9498 -5.9498 -4.2649 -4.2649 -4.2640 -4.2640 -2.3125 -2.3125 -2.2848 -2.2848 -1.9851 -1.9851 -1.9599 -1.9599 -0.4276 -0.4276 -0.4235 -0.4235 0.8142 0.8142 0.8171 0.8171 3.6787 3.6787 3.6821 3.6821 5.8285 5.8285 5.8366 5.8366 k = 0.1143 0.2379 0.7566 ( 5094 PWs) bands (ev): -22.4467 -22.4467 -22.4467 -22.4467 -18.4606 -18.4606 -18.4606 -18.4606 -14.0003 -14.0003 -14.0003 -14.0003 -7.0962 -7.0962 -7.0957 -7.0957 -6.4987 -6.4987 -6.4961 -6.4961 -5.9672 -5.9672 -5.9629 -5.9629 -4.2652 -4.2652 -4.2643 -4.2643 -2.3093 -2.3093 -2.2819 -2.2819 -1.9958 -1.9958 -1.9709 -1.9709 -0.4268 -0.4268 -0.4229 -0.4229 0.8246 0.8246 0.8273 0.8273 3.6770 3.6770 3.6803 3.6803 5.8284 5.8284 5.8363 5.8363 k = 0.1055 0.2196 0.7566 ( 5086 PWs) bands (ev): -22.4468 -22.4468 -22.4468 -22.4468 -18.4605 -18.4605 -18.4605 -18.4605 -14.0005 -14.0005 -14.0005 -14.0005 -7.0931 -7.0931 -7.0927 -7.0927 -6.4878 -6.4878 -6.4853 -6.4853 -5.9806 -5.9806 -5.9764 -5.9764 -4.2654 -4.2654 -4.2646 -4.2646 -2.3058 -2.3058 -2.2790 -2.2790 -2.0063 -2.0063 -1.9818 -1.9818 -0.4260 -0.4260 -0.4224 -0.4224 0.8347 0.8347 0.8371 0.8371 3.6755 3.6755 3.6786 3.6786 5.8287 5.8287 5.8364 5.8364 k = 0.0967 0.2013 0.7566 ( 5094 PWs) bands (ev): -22.4468 -22.4468 -22.4468 -22.4468 -18.4605 -18.4605 -18.4605 -18.4605 -14.0008 -14.0008 -14.0008 -14.0008 -7.0902 -7.0902 -7.0898 -7.0898 -6.4766 -6.4766 -6.4741 -6.4741 -5.9943 -5.9943 -5.9902 -5.9902 -4.2655 -4.2655 -4.2648 -4.2648 -2.3021 -2.3021 -2.2759 -2.2759 -2.0167 -2.0167 -1.9927 -1.9927 -0.4253 -0.4253 -0.4219 -0.4219 0.8442 0.8442 0.8465 0.8465 3.6741 3.6741 3.6769 3.6769 5.8292 5.8292 5.8367 5.8367 k = 0.0879 0.1830 0.7566 ( 5098 PWs) bands (ev): -22.4468 -22.4468 -22.4468 -22.4468 -18.4604 -18.4604 -18.4604 -18.4604 -14.0010 -14.0010 -14.0010 -14.0010 -7.0875 -7.0875 -7.0870 -7.0870 -6.4651 -6.4651 -6.4626 -6.4626 -6.0082 -6.0082 -6.0042 -6.0042 -4.2656 -4.2656 -4.2650 -4.2650 -2.2981 -2.2981 -2.2728 -2.2728 -2.0268 -2.0268 -2.0035 -2.0035 -0.4245 -0.4245 -0.4215 -0.4215 0.8533 0.8533 0.8553 0.8553 3.6728 3.6728 3.6754 3.6754 5.8300 5.8300 5.8372 5.8372 k = 0.0791 0.1647 0.7566 ( 5094 PWs) bands (ev): -22.4469 -22.4469 -22.4469 -22.4469 -18.4603 -18.4603 -18.4603 -18.4603 -14.0012 -14.0012 -14.0012 -14.0012 -7.0849 -7.0849 -7.0845 -7.0845 -6.4535 -6.4535 -6.4510 -6.4510 -6.0220 -6.0220 -6.0182 -6.0182 -4.2657 -4.2657 -4.2651 -4.2651 -2.2939 -2.2939 -2.2697 -2.2697 -2.0365 -2.0365 -2.0140 -2.0140 -0.4238 -0.4238 -0.4211 -0.4211 0.8617 0.8617 0.8636 0.8636 3.6716 3.6716 3.6740 3.6740 5.8311 5.8311 5.8380 5.8380 k = 0.0703 0.1464 0.7566 ( 5086 PWs) bands (ev): -22.4469 -22.4469 -22.4469 -22.4469 -18.4603 -18.4603 -18.4603 -18.4603 -14.0014 -14.0014 -14.0014 -14.0014 -7.0825 -7.0825 -7.0821 -7.0821 -6.4418 -6.4418 -6.4394 -6.4394 -6.0357 -6.0357 -6.0321 -6.0321 -4.2657 -4.2657 -4.2652 -4.2652 -2.2896 -2.2896 -2.2666 -2.2666 -2.0456 -2.0456 -2.0242 -2.0242 -0.4232 -0.4232 -0.4207 -0.4207 0.8695 0.8695 0.8711 0.8711 3.6706 3.6706 3.6727 3.6727 5.8323 5.8323 5.8389 5.8389 k = 0.0615 0.1281 0.7566 ( 5090 PWs) bands (ev): -22.4469 -22.4469 -22.4469 -22.4469 -18.4602 -18.4602 -18.4602 -18.4602 -14.0015 -14.0015 -14.0015 -14.0015 -7.0804 -7.0804 -7.0800 -7.0800 -6.4304 -6.4304 -6.4280 -6.4280 -6.0489 -6.0489 -6.0455 -6.0455 -4.2657 -4.2657 -4.2652 -4.2652 -2.2851 -2.2851 -2.2637 -2.2637 -2.0539 -2.0539 -2.0339 -2.0339 -0.4225 -0.4225 -0.4204 -0.4204 0.8765 0.8765 0.8779 0.8779 3.6696 3.6696 3.6715 3.6715 5.8338 5.8338 5.8399 5.8399 k = 0.0527 0.1098 0.7566 ( 5088 PWs) bands (ev): -22.4469 -22.4469 -22.4469 -22.4469 -18.4602 -18.4602 -18.4602 -18.4602 -14.0017 -14.0017 -14.0017 -14.0017 -7.0784 -7.0784 -7.0782 -7.0782 -6.4194 -6.4194 -6.4171 -6.4171 -6.0614 -6.0614 -6.0583 -6.0583 -4.2657 -4.2657 -4.2653 -4.2653 -2.2806 -2.2806 -2.2611 -2.2611 -2.0614 -2.0614 -2.0431 -2.0431 -0.4220 -0.4220 -0.4201 -0.4201 0.8827 0.8827 0.8839 0.8839 3.6688 3.6688 3.6705 3.6705 5.8354 5.8354 5.8409 5.8409 k = 0.0440 0.0915 0.7566 ( 5092 PWs) bands (ev): -22.4470 -22.4470 -22.4470 -22.4470 -18.4601 -18.4601 -18.4601 -18.4601 -14.0018 -14.0018 -14.0018 -14.0018 -7.0768 -7.0768 -7.0766 -7.0766 -6.4090 -6.4090 -6.4070 -6.4070 -6.0730 -6.0730 -6.0702 -6.0702 -4.2657 -4.2657 -4.2653 -4.2653 -2.2761 -2.2761 -2.2590 -2.2590 -2.0678 -2.0678 -2.0516 -2.0516 -0.4215 -0.4215 -0.4199 -0.4199 0.8881 0.8881 0.8891 0.8891 3.6682 3.6682 3.6695 3.6695 5.8371 5.8371 5.8419 5.8419 k = 0.0352 0.0732 0.7566 ( 5088 PWs) bands (ev): -22.4470 -22.4470 -22.4470 -22.4470 -18.4601 -18.4601 -18.4601 -18.4601 -14.0019 -14.0019 -14.0019 -14.0019 -7.0754 -7.0754 -7.0752 -7.0752 -6.3998 -6.3998 -6.3980 -6.3980 -6.0831 -6.0831 -6.0808 -6.0808 -4.2656 -4.2656 -4.2653 -4.2653 -2.2718 -2.2718 -2.2574 -2.2574 -2.0729 -2.0729 -2.0592 -2.0592 -0.4210 -0.4210 -0.4198 -0.4198 0.8925 0.8925 0.8933 0.8933 3.6677 3.6677 3.6688 3.6688 5.8387 5.8387 5.8427 5.8427 k = 0.0264 0.0549 0.7566 ( 5084 PWs) bands (ev): -22.4470 -22.4470 -22.4470 -22.4470 -18.4601 -18.4601 -18.4601 -18.4601 -14.0020 -14.0020 -14.0020 -14.0020 -7.0744 -7.0744 -7.0742 -7.0742 -6.3919 -6.3919 -6.3905 -6.3905 -6.0916 -6.0916 -6.0897 -6.0897 -4.2656 -4.2656 -4.2654 -4.2654 -2.2678 -2.2678 -2.2564 -2.2564 -2.0766 -2.0766 -2.0659 -2.0659 -0.4206 -0.4206 -0.4197 -0.4197 0.8961 0.8961 0.8967 0.8967 3.6673 3.6673 3.6681 3.6681 5.8402 5.8402 5.8434 5.8434 k = 0.0176 0.0366 0.7566 ( 5080 PWs) bands (ev): -22.4470 -22.4470 -22.4470 -22.4470 -18.4601 -18.4601 -18.4601 -18.4601 -14.0020 -14.0020 -14.0020 -14.0020 -7.0736 -7.0736 -7.0735 -7.0735 -6.3858 -6.3858 -6.3848 -6.3848 -6.0978 -6.0978 -6.0966 -6.0966 -4.2655 -4.2655 -4.2654 -4.2654 -2.2641 -2.2641 -2.2563 -2.2563 -2.0787 -2.0787 -2.0714 -2.0714 -0.4203 -0.4203 -0.4197 -0.4197 0.8987 0.8987 0.8991 0.8991 3.6671 3.6671 3.6676 3.6676 5.8416 5.8416 5.8437 5.8437 k = 0.0088 0.0183 0.7566 ( 5072 PWs) bands (ev): -22.4470 -22.4470 -22.4470 -22.4470 -18.4600 -18.4600 -18.4600 -18.4600 -14.0021 -14.0021 -14.0021 -14.0021 -7.0731 -7.0731 -7.0730 -7.0730 -6.3819 -6.3819 -6.3814 -6.3814 -6.1016 -6.1016 -6.1010 -6.1010 -4.2655 -4.2655 -4.2654 -4.2654 -2.2611 -2.2611 -2.2571 -2.2571 -2.0793 -2.0793 -2.0755 -2.0755 -0.4201 -0.4201 -0.4197 -0.4197 0.9003 0.9003 0.9005 0.9005 3.6670 3.6670 3.6673 3.6673 5.8426 5.8426 5.8437 5.8437 k = 0.0000 0.0000 0.7566 ( 5066 PWs) bands (ev): -22.4470 -22.4470 -22.4470 -22.4470 -18.4600 -18.4600 -18.4600 -18.4600 -14.0021 -14.0021 -14.0021 -14.0021 -7.0729 -7.0729 -7.0729 -7.0729 -6.3804 -6.3804 -6.3804 -6.3804 -6.1027 -6.1027 -6.1027 -6.1027 -4.2654 -4.2654 -4.2654 -4.2654 -2.2587 -2.2587 -2.2587 -2.2587 -2.0782 -2.0782 -2.0782 -2.0782 -0.4199 -0.4199 -0.4199 -0.4199 0.9009 0.9009 0.9009 0.9009 3.6671 3.6671 3.6671 3.6671 5.8434 5.8434 5.8434 5.8434 k = 0.0000 0.0000 0.7566 ( 5066 PWs) bands (ev): -22.4470 -22.4470 -22.4470 -22.4470 -18.4600 -18.4600 -18.4600 -18.4600 -14.0021 -14.0021 -14.0021 -14.0021 -7.0729 -7.0729 -7.0729 -7.0729 -6.3804 -6.3804 -6.3804 -6.3804 -6.1027 -6.1027 -6.1027 -6.1027 -4.2654 -4.2654 -4.2654 -4.2654 -2.2587 -2.2587 -2.2587 -2.2587 -2.0782 -2.0782 -2.0782 -2.0782 -0.4199 -0.4199 -0.4199 -0.4199 0.9009 0.9009 0.9009 0.9009 3.6671 3.6671 3.6671 3.6671 5.8434 5.8434 5.8434 5.8434 k = 0.0000 0.0000 0.7362 ( 5072 PWs) bands (ev): -22.4487 -22.4487 -22.4454 -22.4454 -18.4606 -18.4606 -18.4595 -18.4595 -14.0055 -14.0055 -13.9987 -13.9987 -7.0805 -7.0805 -7.0649 -7.0649 -6.3841 -6.3841 -6.3758 -6.3758 -6.1164 -6.1164 -6.0892 -6.0892 -4.2788 -4.2788 -4.2519 -4.2519 -2.2691 -2.2691 -2.2479 -2.2479 -2.0923 -2.0923 -2.0638 -2.0638 -0.4297 -0.4297 -0.4112 -0.4112 0.9001 0.9001 0.9016 0.9016 3.6630 3.6630 3.6707 3.6707 5.8347 5.8347 5.8523 5.8523 k = 0.0000 0.0000 0.7157 ( 5076 PWs) bands (ev): -22.4504 -22.4504 -22.4438 -22.4438 -18.4611 -18.4611 -18.4590 -18.4590 -14.0090 -14.0090 -13.9954 -13.9954 -7.0878 -7.0878 -7.0564 -7.0564 -6.3870 -6.3870 -6.3705 -6.3705 -6.1302 -6.1302 -6.0758 -6.0758 -4.2921 -4.2921 -4.2382 -4.2382 -2.2792 -2.2792 -2.2370 -2.2370 -2.1061 -2.1061 -2.0491 -2.0491 -0.4406 -0.4406 -0.4039 -0.4039 0.8995 0.8995 0.9023 0.9023 3.6585 3.6585 3.6738 3.6738 5.8262 5.8262 5.8615 5.8615 k = 0.0000 0.0000 0.6953 ( 5088 PWs) bands (ev): -22.4521 -22.4521 -22.4422 -22.4422 -18.4617 -18.4617 -18.4585 -18.4585 -14.0126 -14.0126 -13.9922 -13.9922 -7.0946 -7.0946 -7.0476 -7.0476 -6.3891 -6.3891 -6.3643 -6.3643 -6.1440 -6.1440 -6.0627 -6.0627 -4.3051 -4.3051 -4.2244 -4.2244 -2.2888 -2.2888 -2.2260 -2.2260 -2.1193 -2.1193 -2.0343 -2.0343 -0.4524 -0.4524 -0.3978 -0.3978 0.8988 0.8988 0.9031 0.9031 3.6535 3.6535 3.6765 3.6765 5.8179 5.8179 5.8709 5.8709 k = 0.0000 0.0000 0.6748 ( 5090 PWs) bands (ev): -22.4539 -22.4539 -22.4407 -22.4407 -18.4623 -18.4623 -18.4580 -18.4580 -14.0162 -14.0162 -13.9891 -13.9891 -7.1010 -7.1010 -7.0384 -7.0384 -6.3904 -6.3904 -6.3573 -6.3573 -6.1579 -6.1579 -6.0497 -6.0497 -4.3179 -4.3179 -4.2105 -4.2105 -2.2979 -2.2979 -2.2152 -2.2152 -2.1318 -2.1318 -2.0193 -2.0193 -0.4652 -0.4652 -0.3931 -0.3931 0.8982 0.8982 0.9038 0.9038 3.6480 3.6480 3.6789 3.6789 5.8098 5.8098 5.8804 5.8804 k = 0.0000 0.0000 0.6544 ( 5078 PWs) bands (ev): -22.4557 -22.4557 -22.4392 -22.4392 -18.4628 -18.4628 -18.4576 -18.4576 -14.0198 -14.0198 -13.9861 -13.9861 -7.1070 -7.1070 -7.0289 -7.0289 -6.3908 -6.3908 -6.3496 -6.3496 -6.1718 -6.1718 -6.0370 -6.0370 -4.3305 -4.3305 -4.1966 -4.1966 -2.3064 -2.3064 -2.2053 -2.2053 -2.1431 -2.1431 -2.0043 -2.0043 -0.4789 -0.4789 -0.3899 -0.3899 0.8977 0.8977 0.9045 0.9045 3.6420 3.6420 3.6808 3.6808 5.8020 5.8020 5.8879 5.8879 k = 0.0000 0.0000 0.6339 ( 5082 PWs) bands (ev): -22.4575 -22.4575 -22.4378 -22.4378 -18.4634 -18.4634 -18.4571 -18.4571 -14.0235 -14.0235 -13.9831 -13.9831 -7.1126 -7.1126 -7.0189 -7.0189 -6.3906 -6.3906 -6.3411 -6.3411 -6.1857 -6.1857 -6.0246 -6.0246 -4.3428 -4.3428 -4.1826 -4.1826 -2.3144 -2.3144 -2.1974 -2.1974 -2.1518 -2.1518 -1.9891 -1.9891 -0.4932 -0.4932 -0.3881 -0.3881 0.8972 0.8972 0.9053 0.9053 3.6355 3.6355 3.6824 3.6824 5.7943 5.7943 5.8694 5.8694 k = 0.0000 0.0000 0.6135 ( 5082 PWs) bands (ev): -22.4593 -22.4593 -22.4365 -22.4365 -18.4640 -18.4640 -18.4567 -18.4567 -14.0272 -14.0272 -13.9803 -13.9803 -7.1179 -7.1179 -7.0087 -7.0087 -6.3895 -6.3895 -6.3319 -6.3319 -6.1996 -6.1996 -6.0124 -6.0124 -4.3547 -4.3547 -4.1686 -4.1686 -2.3217 -2.3217 -2.1948 -2.1948 -2.1550 -2.1550 -1.9740 -1.9740 -0.5082 -0.5082 -0.3878 -0.3878 0.8968 0.8968 0.9059 0.9059 3.6286 3.6286 3.6837 3.6837 5.7869 5.7869 5.8476 5.8476 k = 0.0000 0.0000 0.5930 ( 5068 PWs) bands (ev): -22.4611 -22.4611 -22.4351 -22.4351 -18.4646 -18.4646 -18.4563 -18.4563 -14.0309 -14.0309 -13.9776 -13.9776 -7.1227 -7.1227 -6.9981 -6.9981 -6.3878 -6.3878 -6.3219 -6.3219 -6.2133 -6.2133 -6.0006 -6.0006 -4.3664 -4.3664 -4.1547 -4.1547 -2.3283 -2.3283 -2.1990 -2.1990 -2.1510 -2.1510 -1.9589 -1.9589 -0.5237 -0.5237 -0.3891 -0.3891 0.8964 0.8964 0.9066 0.9066 3.6212 3.6212 3.6846 3.6846 5.7795 5.7795 5.8259 5.8259 k = 0.0000 0.0000 0.5726 ( 5076 PWs) bands (ev): -22.4629 -22.4629 -22.4339 -22.4339 -18.4652 -18.4652 -18.4559 -18.4559 -14.0347 -14.0347 -13.9749 -13.9749 -7.1272 -7.1272 -6.9873 -6.9873 -6.3854 -6.3854 -6.3114 -6.3114 -6.2270 -6.2270 -5.9891 -5.9891 -4.3778 -4.3778 -4.1408 -4.1408 -2.3343 -2.3343 -2.2073 -2.2073 -2.1426 -2.1426 -1.9438 -1.9438 -0.5396 -0.5396 -0.3920 -0.3920 0.8962 0.8962 0.9072 0.9072 3.6134 3.6134 3.6853 3.6853 5.7723 5.7723 5.8045 5.8045 k = 0.0000 0.0000 0.5521 ( 5084 PWs) bands (ev): -22.4647 -22.4647 -22.4327 -22.4327 -18.4658 -18.4658 -18.4555 -18.4555 -14.0384 -14.0384 -13.9724 -13.9724 -7.1313 -7.1313 -6.9763 -6.9763 -6.3824 -6.3824 -6.3003 -6.3003 -6.2405 -6.2405 -5.9779 -5.9779 -4.3888 -4.3888 -4.1269 -4.1269 -2.3395 -2.3395 -2.2171 -2.2171 -2.1325 -2.1325 -1.9288 -1.9288 -0.5558 -0.5558 -0.3964 -0.3964 0.8960 0.8960 0.9077 0.9077 3.6051 3.6051 3.6857 3.6857 5.7649 5.7649 5.7838 5.7838 k = 0.0000 0.0000 0.5317 ( 5110 PWs) bands (ev): -22.4665 -22.4665 -22.4315 -22.4315 -18.4664 -18.4664 -18.4552 -18.4552 -14.0421 -14.0421 -13.9700 -13.9700 -7.1351 -7.1351 -6.9650 -6.9650 -6.3788 -6.3788 -6.2887 -6.2887 -6.2538 -6.2538 -5.9671 -5.9671 -4.3994 -4.3994 -4.1132 -4.1132 -2.3441 -2.3441 -2.2272 -2.2272 -2.1220 -2.1220 -1.9140 -1.9140 -0.5723 -0.5723 -0.4024 -0.4024 0.8959 0.8959 0.9082 0.9082 3.5965 3.5965 3.6858 3.6858 5.7559 5.7559 5.7656 5.7656 k = 0.0000 0.0000 0.5112 ( 5112 PWs) bands (ev): -22.4684 -22.4684 -22.4304 -22.4304 -18.4670 -18.4670 -18.4549 -18.4549 -14.0458 -14.0458 -13.9677 -13.9677 -7.1386 -7.1386 -6.9535 -6.9535 -6.3746 -6.3746 -6.2769 -6.2769 -6.2666 -6.2666 -5.9567 -5.9567 -4.4097 -4.4097 -4.0996 -4.0996 -2.3479 -2.3479 -2.2373 -2.2373 -2.1113 -2.1113 -1.8993 -1.8993 -0.5889 -0.5889 -0.4100 -0.4100 0.8958 0.8958 0.9087 0.9087 3.5874 3.5874 3.6858 3.6858 5.7409 5.7409 5.7547 5.7547 k = 0.0000 0.0000 0.4908 ( 5106 PWs) bands (ev): -22.4701 -22.4701 -22.4294 -22.4294 -18.4676 -18.4676 -18.4546 -18.4546 -14.0495 -14.0495 -13.9655 -13.9655 -7.1417 -7.1417 -6.9419 -6.9419 -6.3700 -6.3700 -6.2802 -6.2802 -6.2637 -6.2637 -5.9466 -5.9466 -4.4195 -4.4195 -4.0862 -4.0862 -2.3509 -2.3509 -2.2472 -2.2472 -2.1008 -2.1008 -1.8849 -1.8849 -0.6055 -0.6055 -0.4190 -0.4190 0.8959 0.8959 0.9091 0.9091 3.5781 3.5781 3.6857 3.6857 5.7233 5.7233 5.7475 5.7475 k = 0.0000 0.0000 0.4703 ( 5108 PWs) bands (ev): -22.4719 -22.4719 -22.4283 -22.4283 -18.4682 -18.4682 -18.4543 -18.4543 -14.0531 -14.0531 -13.9634 -13.9634 -7.1446 -7.1446 -6.9302 -6.9302 -6.3649 -6.3649 -6.2926 -6.2926 -6.2509 -6.2509 -5.9369 -5.9369 -4.4289 -4.4289 -4.0729 -4.0729 -2.3532 -2.3532 -2.2568 -2.2568 -2.0907 -2.0907 -1.8707 -1.8707 -0.6220 -0.6220 -0.4295 -0.4295 0.8961 0.8961 0.9094 0.9094 3.5684 3.5684 3.6853 3.6853 5.7064 5.7064 5.7410 5.7410 k = 0.0000 0.0000 0.4499 ( 5088 PWs) bands (ev): -22.4737 -22.4737 -22.4274 -22.4274 -18.4688 -18.4688 -18.4540 -18.4540 -14.0566 -14.0566 -13.9614 -13.9614 -7.1471 -7.1471 -6.9185 -6.9185 -6.3594 -6.3594 -6.3048 -6.3048 -6.2378 -6.2378 -5.9277 -5.9277 -4.4379 -4.4379 -4.0599 -4.0599 -2.3548 -2.3548 -2.2660 -2.2660 -2.0809 -2.0809 -1.8567 -1.8567 -0.6383 -0.6383 -0.4413 -0.4413 0.8963 0.8963 0.9097 0.9097 3.5586 3.5586 3.6849 3.6849 5.6908 5.6908 5.7349 5.7349 k = 0.0000 0.0000 0.4294 ( 5088 PWs) bands (ev): -22.4754 -22.4754 -22.4265 -22.4265 -18.4693 -18.4693 -18.4537 -18.4537 -14.0601 -14.0601 -13.9595 -13.9595 -7.1495 -7.1495 -6.9068 -6.9068 -6.3538 -6.3538 -6.3166 -6.3166 -6.2245 -6.2245 -5.9188 -5.9188 -4.4465 -4.4465 -4.0471 -4.0471 -2.3557 -2.3557 -2.2748 -2.2748 -2.0716 -2.0716 -1.8431 -1.8431 -0.6543 -0.6543 -0.4545 -0.4545 0.8966 0.8966 0.9099 0.9099 3.5485 3.5485 3.6844 3.6844 5.6765 5.6765 5.7291 5.7291 k = 0.0000 0.0000 0.4090 ( 5098 PWs) bands (ev): -22.4770 -22.4770 -22.4257 -22.4257 -18.4699 -18.4699 -18.4535 -18.4535 -14.0635 -14.0635 -13.9577 -13.9577 -7.1515 -7.1515 -6.8951 -6.8951 -6.3483 -6.3483 -6.3276 -6.3276 -6.2110 -6.2110 -5.9104 -5.9104 -4.4546 -4.4546 -4.0346 -4.0346 -2.3559 -2.3559 -2.2832 -2.2832 -2.0630 -2.0630 -1.8299 -1.8299 -0.6700 -0.6700 -0.4688 -0.4688 0.8970 0.8970 0.9100 0.9100 3.5382 3.5382 3.6838 3.6838 5.6636 5.6636 5.7234 5.7234 k = 0.0000 0.0000 0.3885 ( 5094 PWs) bands (ev): -22.4787 -22.4787 -22.4249 -22.4249 -18.4704 -18.4704 -18.4533 -18.4533 -14.0669 -14.0669 -13.9560 -13.9560 -7.1533 -7.1533 -6.8836 -6.8836 -6.3457 -6.3457 -6.3350 -6.3350 -6.1975 -6.1975 -5.9024 -5.9024 -4.4622 -4.4622 -4.0224 -4.0224 -2.3555 -2.3555 -2.2911 -2.2911 -2.0549 -2.0549 -1.8170 -1.8170 -0.6852 -0.6852 -0.4842 -0.4842 0.8974 0.8974 0.9101 0.9101 3.5279 3.5279 3.6832 3.6832 5.6524 5.6524 5.7179 5.7179 k = 0.0000 0.0000 0.3681 ( 5084 PWs) bands (ev): -22.4803 -22.4803 -22.4241 -22.4241 -18.4710 -18.4710 -18.4530 -18.4530 -14.0701 -14.0701 -13.9545 -13.9545 -7.1549 -7.1549 -6.8722 -6.8722 -6.3528 -6.3528 -6.3322 -6.3322 -6.1841 -6.1841 -5.8948 -5.8948 -4.4694 -4.4694 -4.0105 -4.0105 -2.3544 -2.3544 -2.2986 -2.2986 -2.0475 -2.0475 -1.8046 -1.8046 -0.6998 -0.6998 -0.5006 -0.5006 0.8980 0.8980 0.9102 0.9102 3.5176 3.5176 3.6826 3.6826 5.6427 5.6427 5.7126 5.7126 k = 0.0000 0.0000 0.3476 ( 5070 PWs) bands (ev): -22.4818 -22.4818 -22.4234 -22.4234 -18.4715 -18.4715 -18.4528 -18.4528 -14.0732 -14.0732 -13.9530 -13.9530 -7.1563 -7.1563 -6.8610 -6.8610 -6.3625 -6.3625 -6.3261 -6.3261 -6.1707 -6.1707 -5.8876 -5.8876 -4.4761 -4.4761 -3.9990 -3.9990 -2.3528 -2.3528 -2.3056 -2.3056 -2.0407 -2.0407 -1.7927 -1.7927 -0.7139 -0.7139 -0.5177 -0.5177 0.8985 0.8985 0.9102 0.9102 3.5074 3.5074 3.6820 3.6820 5.6345 5.6345 5.7075 5.7075 k = 0.0000 0.0000 0.3272 ( 5074 PWs) bands (ev): -22.4833 -22.4833 -22.4228 -22.4228 -18.4720 -18.4720 -18.4527 -18.4527 -14.0762 -14.0762 -13.9516 -13.9516 -7.1575 -7.1575 -6.8501 -6.8501 -6.3723 -6.3723 -6.3196 -6.3196 -6.1576 -6.1576 -5.8809 -5.8809 -4.4824 -4.4824 -3.9879 -3.9879 -2.3508 -2.3508 -2.3120 -2.3120 -2.0347 -2.0347 -1.7812 -1.7812 -0.7273 -0.7273 -0.5355 -0.5355 0.8991 0.8991 0.9101 0.9101 3.4972 3.4972 3.6814 3.6814 5.6279 5.6279 5.7027 5.7027 k = 0.0000 0.0000 0.3067 ( 5073 PWs) bands (ev): -22.4847 -22.4847 -22.4222 -22.4222 -18.4724 -18.4724 -18.4525 -18.4525 -14.0791 -14.0791 -13.9503 -13.9503 -7.1586 -7.1586 -6.8395 -6.8395 -6.3816 -6.3816 -6.3129 -6.3129 -6.1448 -6.1448 -5.8746 -5.8746 -4.4882 -4.4882 -3.9773 -3.9773 -2.3484 -2.3484 -2.3179 -2.3179 -2.0293 -2.0293 -1.7703 -1.7703 -0.7399 -0.7399 -0.5537 -0.5537 0.8998 0.8998 0.9101 0.9101 3.4872 3.4872 3.6809 3.6809 5.6227 5.6227 5.6980 5.6980 k = 0.0000 0.0000 0.2863 ( 5075 PWs) bands (ev): -22.4860 -22.4860 -22.4216 -22.4216 -18.4729 -18.4729 -18.4524 -18.4524 -14.0818 -14.0818 -13.9491 -13.9491 -7.1595 -7.1595 -6.8293 -6.8293 -6.3906 -6.3906 -6.3063 -6.3063 -6.1324 -6.1324 -5.8687 -5.8687 -4.4935 -4.4935 -3.9671 -3.9671 -2.3461 -2.3461 -2.3229 -2.3229 -2.0247 -2.0247 -1.7599 -1.7599 -0.7518 -0.7518 -0.5722 -0.5722 0.9004 0.9004 0.9099 0.9099 3.4775 3.4775 3.6803 3.6803 5.6189 5.6189 5.6936 5.6936 k = 0.0000 0.0000 0.2658 ( 5063 PWs) bands (ev): -22.4873 -22.4873 -22.4211 -22.4211 -18.4733 -18.4733 -18.4522 -18.4522 -14.0844 -14.0844 -13.9480 -13.9480 -7.1603 -7.1603 -6.8196 -6.8196 -6.3990 -6.3990 -6.2998 -6.2998 -6.1204 -6.1204 -5.8632 -5.8632 -4.4984 -4.4984 -3.9574 -3.9574 -2.3441 -2.3441 -2.3267 -2.3267 -2.0207 -2.0207 -1.7501 -1.7501 -0.7628 -0.7628 -0.5907 -0.5907 0.9011 0.9011 0.9098 0.9098 3.4681 3.4681 3.6799 3.6799 5.6164 5.6164 5.6895 5.6895 k = 0.0000 0.0000 0.2454 ( 5075 PWs) bands (ev): -22.4885 -22.4885 -22.4207 -22.4207 -18.4737 -18.4737 -18.4521 -18.4521 -14.0868 -14.0868 -13.9470 -13.9470 -7.1609 -7.1609 -6.8103 -6.8103 -6.4069 -6.4069 -6.2934 -6.2934 -6.1090 -6.1090 -5.8582 -5.8582 -4.5028 -4.5028 -3.9483 -3.9483 -2.3438 -2.3438 -2.3282 -2.3282 -2.0173 -2.0173 -1.7409 -1.7409 -0.7731 -0.7731 -0.6090 -0.6090 0.9018 0.9018 0.9096 0.9096 3.4591 3.4591 3.6794 3.6794 5.6150 5.6150 5.6855 5.6855 k = 0.0000 0.0000 0.2249 ( 5053 PWs) bands (ev): -22.4896 -22.4896 -22.4202 -22.4202 -18.4741 -18.4741 -18.4520 -18.4520 -14.0891 -14.0891 -13.9461 -13.9461 -7.1614 -7.1614 -6.8016 -6.8016 -6.4143 -6.4143 -6.2873 -6.2873 -6.0982 -6.0982 -5.8536 -5.8536 -4.5069 -4.5069 -3.9398 -3.9398 -2.3454 -2.3454 -2.3271 -2.3271 -2.0145 -2.0145 -1.7324 -1.7324 -0.7824 -0.7824 -0.6270 -0.6270 0.9025 0.9025 0.9094 0.9094 3.4505 3.4505 3.6791 3.6791 5.6145 5.6145 5.6819 5.6819 k = 0.0000 0.0000 0.2045 ( 5077 PWs) bands (ev): -22.4906 -22.4906 -22.4198 -22.4198 -18.4744 -18.4744 -18.4519 -18.4519 -14.0912 -14.0912 -13.9453 -13.9453 -7.1619 -7.1619 -6.7934 -6.7934 -6.4211 -6.4211 -6.2815 -6.2815 -6.0880 -6.0880 -5.8494 -5.8494 -4.5105 -4.5105 -3.9318 -3.9318 -2.3482 -2.3482 -2.3243 -2.3243 -2.0123 -2.0123 -1.7245 -1.7245 -0.7909 -0.7909 -0.6444 -0.6444 0.9032 0.9032 0.9092 0.9092 3.4425 3.4425 3.6788 3.6788 5.6149 5.6149 5.6785 5.6785 k = 0.0000 0.0000 0.1840 ( 5079 PWs) bands (ev): -22.4916 -22.4916 -22.4195 -22.4195 -18.4748 -18.4748 -18.4519 -18.4519 -14.0931 -14.0931 -13.9445 -13.9445 -7.1622 -7.1622 -6.7859 -6.7859 -6.4272 -6.4272 -6.2760 -6.2760 -6.0787 -6.0787 -5.8456 -5.8456 -4.5137 -4.5137 -3.9245 -3.9245 -2.3512 -2.3512 -2.3209 -2.3209 -2.0106 -2.0106 -1.7173 -1.7173 -0.7985 -0.7985 -0.6609 -0.6609 0.9038 0.9038 0.9090 0.9090 3.4350 3.4350 3.6785 3.6785 5.6159 5.6159 5.6754 5.6754 k = 0.0000 0.0000 0.1636 ( 5079 PWs) bands (ev): -22.4924 -22.4924 -22.4192 -22.4192 -18.4751 -18.4751 -18.4518 -18.4518 -14.0949 -14.0949 -13.9439 -13.9439 -7.1625 -7.1625 -6.7791 -6.7791 -6.4328 -6.4328 -6.2710 -6.2710 -6.0701 -6.0701 -5.8423 -5.8423 -4.5165 -4.5165 -3.9179 -3.9179 -2.3542 -2.3542 -2.3172 -2.3172 -2.0093 -2.0093 -1.7108 -1.7108 -0.8053 -0.8053 -0.6765 -0.6765 0.9045 0.9045 0.9089 0.9089 3.4281 3.4281 3.6783 3.6783 5.6174 5.6174 5.6726 5.6726 k = 0.0000 0.0000 0.1431 ( 5083 PWs) bands (ev): -22.4932 -22.4932 -22.4189 -22.4189 -18.4753 -18.4753 -18.4517 -18.4517 -14.0964 -14.0964 -13.9433 -13.9433 -7.1627 -7.1627 -6.7729 -6.7729 -6.4378 -6.4378 -6.2665 -6.2665 -6.0624 -6.0624 -5.8393 -5.8393 -4.5189 -4.5189 -3.9120 -3.9120 -2.3569 -2.3569 -2.3135 -2.3135 -2.0083 -2.0083 -1.7050 -1.7050 -0.8112 -0.8112 -0.6907 -0.6907 0.9050 0.9050 0.9087 0.9087 3.4219 3.4219 3.6781 3.6781 5.6193 5.6193 5.6701 5.6701 k = 0.0000 0.0000 0.1227 ( 5083 PWs) bands (ev): -22.4939 -22.4939 -22.4187 -22.4187 -18.4755 -18.4755 -18.4517 -18.4517 -14.0978 -14.0978 -13.9428 -13.9428 -7.1629 -7.1629 -6.7675 -6.7675 -6.4421 -6.4421 -6.2624 -6.2624 -6.0556 -6.0556 -5.8367 -5.8367 -4.5210 -4.5210 -3.9068 -3.9068 -2.3593 -2.3593 -2.3101 -2.3101 -2.0076 -2.0076 -1.7000 -1.7000 -0.8162 -0.8162 -0.7036 -0.7036 0.9055 0.9055 0.9085 0.9085 3.4165 3.4165 3.6780 3.6780 5.6212 5.6212 5.6680 5.6680 k = 0.0000 0.0000 0.1022 ( 5083 PWs) bands (ev): -22.4944 -22.4944 -22.4185 -22.4185 -18.4757 -18.4757 -18.4516 -18.4516 -14.0989 -14.0989 -13.9424 -13.9424 -7.1631 -7.1631 -6.7629 -6.7629 -6.4457 -6.4457 -6.2589 -6.2589 -6.0498 -6.0498 -5.8346 -5.8346 -4.5227 -4.5227 -3.9024 -3.9024 -2.3613 -2.3613 -2.3069 -2.3069 -2.0072 -2.0072 -1.6957 -1.6957 -0.8205 -0.8205 -0.7148 -0.7148 0.9060 0.9060 0.9083 0.9083 3.4118 3.4118 3.6779 3.6779 5.6232 5.6232 5.6662 5.6662 k = 0.0000 0.0000 0.0818 ( 5071 PWs) bands (ev): -22.4949 -22.4949 -22.4184 -22.4184 -18.4759 -18.4759 -18.4516 -18.4516 -14.0999 -14.0999 -13.9420 -13.9420 -7.1632 -7.1632 -6.7591 -6.7591 -6.4487 -6.4487 -6.2560 -6.2560 -6.0450 -6.0450 -5.8328 -5.8328 -4.5241 -4.5241 -3.8987 -3.8987 -2.3630 -2.3630 -2.3042 -2.3042 -2.0069 -2.0069 -1.6922 -1.6922 -0.8239 -0.8239 -0.7242 -0.7242 0.9063 0.9063 0.9082 0.9082 3.4079 3.4079 3.6778 3.6778 5.6250 5.6250 5.6647 5.6647 k = 0.0000 0.0000 0.0613 ( 5071 PWs) bands (ev): -22.4953 -22.4953 -22.4183 -22.4183 -18.4760 -18.4760 -18.4516 -18.4516 -14.1006 -14.1006 -13.9418 -13.9418 -7.1632 -7.1632 -6.7561 -6.7561 -6.4511 -6.4511 -6.2537 -6.2537 -6.0412 -6.0412 -5.8314 -5.8314 -4.5252 -4.5252 -3.8958 -3.8958 -2.3643 -2.3643 -2.3020 -2.3020 -2.0068 -2.0068 -1.6894 -1.6894 -0.8266 -0.8266 -0.7317 -0.7317 0.9066 0.9066 0.9081 0.9081 3.4049 3.4049 3.6778 3.6778 5.6266 5.6266 5.6635 5.6635 k = 0.0000 0.0000 0.0409 ( 5059 PWs) bands (ev): -22.4955 -22.4955 -22.4182 -22.4182 -18.4761 -18.4761 -18.4515 -18.4515 -14.1011 -14.1011 -13.9416 -13.9416 -7.1633 -7.1633 -6.7540 -6.7540 -6.4528 -6.4528 -6.2520 -6.2520 -6.0385 -6.0385 -5.8304 -5.8304 -4.5259 -4.5259 -3.8937 -3.8937 -2.3653 -2.3653 -2.3004 -2.3004 -2.0067 -2.0067 -1.6874 -1.6874 -0.8285 -0.8285 -0.7371 -0.7371 0.9069 0.9069 0.9080 0.9080 3.4027 3.4027 3.6778 3.6778 5.6277 5.6277 5.6627 5.6627 k = 0.0000 0.0000 0.0204 ( 5061 PWs) bands (ev): -22.4957 -22.4957 -22.4181 -22.4181 -18.4761 -18.4761 -18.4515 -18.4515 -14.1015 -14.1015 -13.9415 -13.9415 -7.1633 -7.1633 -6.7527 -6.7527 -6.4538 -6.4538 -6.2510 -6.2510 -6.0369 -6.0369 -5.8298 -5.8298 -4.5264 -4.5264 -3.8925 -3.8925 -2.3658 -2.3658 -2.2994 -2.2994 -2.0066 -2.0066 -1.6863 -1.6863 -0.8296 -0.8296 -0.7404 -0.7404 0.9070 0.9070 0.9080 0.9080 3.4014 3.4014 3.6777 3.6777 5.6285 5.6285 5.6622 5.6622 k = 0.0000 0.0000 0.0000 ( 5061 PWs) bands (ev): -22.4957 -22.4957 -22.4181 -22.4181 -18.4762 -18.4762 -18.4515 -18.4515 -14.1016 -14.1016 -13.9414 -13.9414 -7.1633 -7.1633 -6.7523 -6.7523 -6.4541 -6.4541 -6.2507 -6.2507 -6.0363 -6.0363 -5.8296 -5.8296 -4.5265 -4.5265 -3.8921 -3.8921 -2.3660 -2.3660 -2.2990 -2.2990 -2.0066 -2.0066 -1.6859 -1.6859 -0.8300 -0.8300 -0.7415 -0.7415 0.9070 0.9070 0.9079 0.9079 3.4009 3.4009 3.6777 3.6777 5.6287 5.6287 5.6620 5.6620 k = 0.0000 0.0000 0.0000 ( 5061 PWs) bands (ev): -22.4957 -22.4957 -22.4181 -22.4181 -18.4762 -18.4762 -18.4515 -18.4515 -14.1016 -14.1016 -13.9414 -13.9414 -7.1633 -7.1633 -6.7523 -6.7523 -6.4541 -6.4541 -6.2507 -6.2507 -6.0363 -6.0363 -5.8296 -5.8296 -4.5265 -4.5265 -3.8921 -3.8921 -2.3660 -2.3660 -2.2990 -2.2990 -2.0066 -2.0066 -1.6859 -1.6859 -0.8300 -0.8300 -0.7415 -0.7415 0.9070 0.9070 0.9079 0.9079 3.4009 3.4009 3.6777 3.6777 5.6287 5.6287 5.6620 5.6620 k =-0.0185 0.0089 0.0000 ( 5064 PWs) bands (ev): -22.4957 -22.4957 -22.4181 -22.4181 -18.4761 -18.4761 -18.4516 -18.4516 -14.1016 -14.1016 -13.9413 -13.9413 -7.1633 -7.1632 -6.7529 -6.7527 -6.4543 -6.4543 -6.2510 -6.2510 -6.0357 -6.0357 -5.8295 -5.8295 -4.5269 -4.5266 -3.8919 -3.8917 -2.3653 -2.3649 -2.2998 -2.2997 -2.0061 -2.0060 -1.6858 -1.6858 -0.8320 -0.8305 -0.7405 -0.7395 0.9005 0.9005 0.9124 0.9124 3.3974 3.3981 3.6804 3.6818 5.6234 5.6257 5.6632 5.6636 k =-0.0370 0.0178 0.0000 ( 5066 PWs) bands (ev): -22.4956 -22.4956 -22.4182 -22.4182 -18.4760 -18.4760 -18.4519 -18.4519 -14.1018 -14.1017 -13.9408 -13.9408 -7.1631 -7.1629 -6.7545 -6.7542 -6.4550 -6.4550 -6.2518 -6.2518 -6.0338 -6.0337 -5.8292 -5.8292 -4.5278 -4.5273 -3.8910 -3.8906 -2.3628 -2.3621 -2.3019 -2.3016 -2.0045 -2.0043 -1.6857 -1.6856 -0.8363 -0.8334 -0.7368 -0.7350 0.8913 0.8914 0.9155 0.9155 3.3883 3.3896 3.6893 3.6919 5.6116 5.6152 5.6674 5.6680 k =-0.0556 0.0267 0.0000 ( 5066 PWs) bands (ev): -22.4954 -22.4954 -22.4183 -22.4183 -18.4758 -18.4758 -18.4523 -18.4523 -14.1020 -14.1020 -13.9401 -13.9401 -7.1627 -7.1625 -6.7572 -6.7567 -6.4560 -6.4560 -6.2532 -6.2531 -6.0308 -6.0306 -5.8286 -5.8285 -4.5291 -4.5285 -3.8894 -3.8888 -2.3587 -2.3574 -2.3052 -2.3046 -2.0020 -2.0017 -1.6855 -1.6854 -0.8421 -0.8383 -0.7308 -0.7284 0.8797 0.8797 0.9171 0.9171 3.3751 3.3766 3.7031 3.7065 5.5963 5.6004 5.6747 5.6753 k =-0.0741 0.0356 0.0000 ( 5074 PWs) bands (ev): -22.4952 -22.4952 -22.4185 -22.4185 -18.4755 -18.4755 -18.4529 -18.4529 -14.1023 -14.1023 -13.9390 -13.9390 -7.1622 -7.1619 -6.7609 -6.7603 -6.4575 -6.4575 -6.2550 -6.2549 -6.0266 -6.0264 -5.8277 -5.8277 -4.5309 -4.5301 -3.8872 -3.8865 -2.3531 -2.3510 -2.3095 -2.3083 -1.9987 -1.9983 -1.6851 -1.6850 -0.8490 -0.8444 -0.7231 -0.7205 0.8655 0.8655 0.9174 0.9174 3.3595 3.3608 3.7199 3.7238 5.5796 5.5835 5.6849 5.6854 k =-0.0926 0.0445 0.0000 ( 5080 PWs) bands (ev): -22.4949 -22.4949 -22.4188 -22.4188 -18.4751 -18.4751 -18.4536 -18.4536 -14.1027 -14.1027 -13.9377 -13.9377 -7.1615 -7.1612 -6.7655 -6.7648 -6.4593 -6.4593 -6.2571 -6.2571 -6.0216 -6.0214 -5.8267 -5.8267 -4.5331 -4.5321 -3.8843 -3.8835 -2.3466 -2.3428 -2.3146 -2.3121 -1.9950 -1.9946 -1.6847 -1.6846 -0.8564 -0.8513 -0.7142 -0.7116 0.8487 0.8488 0.9166 0.9166 3.3429 3.3439 3.7384 3.7424 5.5626 5.5663 5.6978 5.6982 k =-0.1111 0.0534 0.0000 ( 5080 PWs) bands (ev): -22.4946 -22.4946 -22.4191 -22.4191 -18.4747 -18.4747 -18.4545 -18.4545 -14.1033 -14.1032 -13.9361 -13.9361 -7.1606 -7.1602 -6.7710 -6.7702 -6.4614 -6.4614 -6.2595 -6.2595 -6.0158 -6.0155 -5.8254 -5.8254 -4.5356 -4.5344 -3.8809 -3.8800 -2.3404 -2.3330 -2.3203 -2.3144 -1.9912 -1.9906 -1.6843 -1.6842 -0.8641 -0.8587 -0.7046 -0.7021 0.8294 0.8295 0.9149 0.9150 3.3265 3.3270 3.7572 3.7612 5.5462 5.5494 5.7131 5.7135 k =-0.1296 0.0623 0.0000 ( 5072 PWs) bands (ev): -22.4941 -22.4941 -22.4194 -22.4194 -18.4741 -18.4741 -18.4555 -18.4554 -14.1039 -14.1038 -13.9343 -13.9342 -7.1595 -7.1590 -6.7774 -6.7765 -6.4639 -6.4639 -6.2621 -6.2620 -6.0093 -6.0091 -5.8240 -5.8240 -4.5384 -4.5371 -3.8769 -3.8759 -2.3379 -2.3263 -2.3216 -2.3118 -1.9874 -1.9869 -1.6839 -1.6837 -0.8719 -0.8662 -0.6945 -0.6922 0.8078 0.8078 0.9125 0.9126 3.3109 3.3112 3.7754 3.7791 5.5306 5.5333 5.7308 5.7311 k =-0.1481 0.0712 0.0000 ( 5074 PWs) bands (ev): -22.4937 -22.4937 -22.4198 -22.4198 -18.4736 -18.4736 -18.4566 -18.4566 -14.1045 -14.1045 -13.9322 -13.9322 -7.1581 -7.1576 -6.7846 -6.7836 -6.4666 -6.4666 -6.2648 -6.2647 -6.0025 -6.0022 -5.8225 -5.8225 -4.5413 -4.5399 -3.8723 -3.8714 -2.3403 -2.3324 -2.3087 -2.3029 -1.9841 -1.9835 -1.6834 -1.6832 -0.8797 -0.8738 -0.6840 -0.6821 0.7840 0.7840 0.9095 0.9095 3.2965 3.2976 3.7922 3.7954 5.5159 5.5181 5.7505 5.7508 k =-0.1667 0.0801 0.0000 ( 5074 PWs) bands (ev): -22.4932 -22.4932 -22.4202 -22.4202 -18.4729 -18.4729 -18.4578 -18.4578 -14.1053 -14.1053 -13.9299 -13.9299 -7.1564 -7.1559 -6.7925 -6.7915 -6.4696 -6.4696 -6.2675 -6.2675 -5.9955 -5.9951 -5.8208 -5.8208 -4.5443 -4.5428 -3.8673 -3.8664 -2.3449 -2.3384 -2.2944 -2.2903 -1.9813 -1.9807 -1.6830 -1.6828 -0.8872 -0.8812 -0.6734 -0.6718 0.7582 0.7583 0.9060 0.9060 3.2841 3.2862 3.8072 3.8098 5.5021 5.5038 5.7720 5.7722 k =-0.1852 0.0890 0.0000 ( 5078 PWs) bands (ev): -22.4926 -22.4926 -22.4207 -22.4207 -18.4723 -18.4723 -18.4591 -18.4591 -14.1061 -14.1061 -13.9275 -13.9275 -7.1545 -7.1539 -6.8010 -6.8000 -6.4727 -6.4727 -6.2702 -6.2702 -5.9883 -5.9879 -5.8190 -5.8190 -4.5473 -4.5458 -3.8619 -3.8610 -2.3501 -2.3441 -2.2789 -2.2756 -1.9794 -1.9788 -1.6827 -1.6825 -0.8946 -0.8885 -0.6628 -0.6615 0.7308 0.7309 0.9020 0.9020 3.2743 3.2773 3.8199 3.8217 5.4892 5.4903 5.7949 5.7952 k =-0.2037 0.0979 0.0000 ( 5076 PWs) bands (ev): -22.4920 -22.4920 -22.4212 -22.4212 -18.4716 -18.4715 -18.4604 -18.4604 -14.1070 -14.1070 -13.9249 -13.9249 -7.1522 -7.1516 -6.8101 -6.8091 -6.4759 -6.4759 -6.2729 -6.2729 -5.9811 -5.9807 -5.8172 -5.8172 -4.5502 -4.5488 -3.8560 -3.8553 -2.3552 -2.3494 -2.2622 -2.2595 -1.9784 -1.9778 -1.6825 -1.6823 -0.9016 -0.8956 -0.6522 -0.6512 0.7021 0.7021 0.8977 0.8977 3.2672 3.2713 3.8301 3.8310 5.4770 5.4776 5.8191 5.8193 k =-0.2222 0.1068 0.0000 ( 5076 PWs) bands (ev): -22.4914 -22.4914 -22.4217 -22.4217 -18.4708 -18.4708 -18.4619 -18.4618 -14.1080 -14.1080 -13.9222 -13.9222 -7.1496 -7.1489 -6.8197 -6.8187 -6.4793 -6.4793 -6.2756 -6.2755 -5.9740 -5.9736 -5.8153 -5.8153 -4.5531 -4.5517 -3.8499 -3.8493 -2.3600 -2.3543 -2.2446 -2.2422 -1.9783 -1.9778 -1.6824 -1.6822 -0.9083 -0.9023 -0.6418 -0.6411 0.6724 0.6724 0.8932 0.8932 3.2631 3.2682 3.8375 3.8376 5.4652 5.4653 5.8443 5.8445 k =-0.2407 0.1157 0.0000 ( 5080 PWs) bands (ev): -22.4908 -22.4908 -22.4223 -22.4223 -18.4701 -18.4701 -18.4633 -18.4633 -14.1090 -14.1089 -13.9194 -13.9194 -7.1466 -7.1460 -6.8297 -6.8287 -6.4827 -6.4827 -6.2782 -6.2781 -5.9671 -5.9667 -5.8135 -5.8134 -4.5558 -4.5544 -3.8436 -3.8431 -2.3643 -2.3585 -2.2263 -2.2240 -1.9794 -1.9788 -1.6826 -1.6823 -0.9147 -0.9088 -0.6315 -0.6312 0.6420 0.6421 0.8885 0.8885 3.2620 3.2682 3.8411 3.8423 5.4534 5.4538 5.8700 5.8702 k =-0.2593 0.1246 0.0000 ( 5088 PWs) bands (ev): -22.4901 -22.4901 -22.4228 -22.4228 -18.4693 -18.4693 -18.4647 -18.4647 -14.1100 -14.1100 -13.9166 -13.9166 -7.1433 -7.1427 -6.8399 -6.8390 -6.4861 -6.4861 -6.2807 -6.2806 -5.9605 -5.9602 -5.8116 -5.8116 -4.5583 -4.5570 -3.8371 -3.8368 -2.3680 -2.3622 -2.2073 -2.2052 -1.9815 -1.9809 -1.6829 -1.6827 -0.9208 -0.9150 -0.6216 -0.6215 0.6115 0.6115 0.8837 0.8837 3.2640 3.2712 3.8418 3.8441 5.4417 5.4424 5.8962 5.8963 k =-0.2778 0.1334 0.0000 ( 5086 PWs) bands (ev): -22.4895 -22.4895 -22.4234 -22.4234 -18.4686 -18.4686 -18.4662 -18.4662 -14.1110 -14.1110 -13.9138 -13.9137 -7.1397 -7.1391 -6.8504 -6.8495 -6.4894 -6.4894 -6.2832 -6.2830 -5.9543 -5.9539 -5.8098 -5.8097 -4.5605 -4.5593 -3.8305 -3.8304 -2.3711 -2.3652 -2.1880 -2.1859 -1.9846 -1.9840 -1.6835 -1.6833 -0.9264 -0.9208 -0.6122 -0.6121 0.5811 0.5811 0.8790 0.8790 3.2691 3.2772 3.8397 3.8432 5.4300 5.4311 5.9225 5.9226 k =-0.2963 0.1423 0.0000 ( 5094 PWs) bands (ev): -22.4888 -22.4888 -22.4239 -22.4239 -18.4678 -18.4678 -18.4676 -18.4676 -14.1120 -14.1120 -13.9110 -13.9110 -7.1357 -7.1352 -6.8609 -6.8601 -6.4927 -6.4927 -6.2855 -6.2853 -5.9484 -5.9481 -5.8080 -5.8080 -4.5625 -4.5614 -3.8240 -3.8240 -2.3735 -2.3676 -2.1685 -2.1664 -1.9886 -1.9881 -1.6844 -1.6842 -0.9316 -0.9263 -0.6033 -0.6030 0.5512 0.5513 0.8743 0.8743 3.2770 3.2860 3.8349 3.8396 5.4184 5.4196 5.9486 5.9486 k =-0.3148 0.1512 0.0000 ( 5088 PWs) bands (ev): -22.4882 -22.4882 -22.4245 -22.4245 -18.4689 -18.4689 -18.4671 -18.4671 -14.1130 -14.1130 -13.9083 -13.9083 -7.1315 -7.1309 -6.8714 -6.8706 -6.4958 -6.4958 -6.2877 -6.2875 -5.9430 -5.9427 -5.8063 -5.8063 -4.5642 -4.5633 -3.8178 -3.8176 -2.3752 -2.3693 -2.1491 -2.1471 -1.9934 -1.9929 -1.6856 -1.6853 -0.9364 -0.9314 -0.5949 -0.5944 0.5223 0.5224 0.8697 0.8698 3.2876 3.2975 3.8276 3.8334 5.4068 5.4082 5.9743 5.9743 k =-0.3333 0.1601 0.0000 ( 5104 PWs) bands (ev): -22.4876 -22.4876 -22.4250 -22.4250 -18.4702 -18.4702 -18.4664 -18.4664 -14.1140 -14.1139 -13.9057 -13.9057 -7.1270 -7.1265 -6.8818 -6.8811 -6.4987 -6.4987 -6.2899 -6.2896 -5.9381 -5.9378 -5.8047 -5.8047 -4.5657 -4.5649 -3.8117 -3.8114 -2.3762 -2.3705 -2.1302 -2.1280 -1.9988 -1.9982 -1.6870 -1.6868 -0.9408 -0.9361 -0.5871 -0.5864 0.4947 0.4948 0.8654 0.8654 3.3007 3.3112 3.8181 3.8248 5.3953 5.3968 5.9993 5.9994 k =-0.3519 0.1690 0.0000 ( 5100 PWs) bands (ev): -22.4870 -22.4870 -22.4255 -22.4255 -18.4714 -18.4714 -18.4658 -18.4658 -14.1149 -14.1148 -13.9033 -13.9033 -7.1223 -7.1219 -6.8918 -6.8912 -6.5015 -6.5015 -6.2918 -6.2916 -5.9337 -5.9334 -5.8032 -5.8032 -4.5670 -4.5662 -3.8059 -3.8056 -2.3766 -2.3711 -2.1120 -2.1097 -2.0047 -2.0040 -1.6887 -1.6885 -0.9446 -0.9403 -0.5798 -0.5791 0.4688 0.4688 0.8613 0.8613 3.3159 3.3269 3.8066 3.8141 5.3842 5.3857 6.0235 6.0235 k =-0.3704 0.1779 0.0000 ( 5092 PWs) bands (ev): -22.4864 -22.4864 -22.4260 -22.4260 -18.4725 -18.4725 -18.4652 -18.4652 -14.1157 -14.1157 -13.9011 -13.9011 -7.1175 -7.1171 -6.9015 -6.9010 -6.5039 -6.5039 -6.2936 -6.2934 -5.9298 -5.9295 -5.8019 -5.8019 -4.5680 -4.5673 -3.8006 -3.8002 -2.3765 -2.3713 -2.0948 -2.0923 -2.0107 -2.0098 -1.6906 -1.6904 -0.9481 -0.9442 -0.5732 -0.5725 0.4449 0.4450 0.8576 0.8576 3.3328 3.3440 3.7935 3.8017 5.3735 5.3749 6.0467 6.0467 k =-0.3889 0.1868 0.0000 ( 5102 PWs) bands (ev): -22.4859 -22.4859 -22.4264 -22.4264 -18.4735 -18.4735 -18.4647 -18.4647 -14.1165 -14.1164 -13.8991 -13.8991 -7.1128 -7.1125 -6.9106 -6.9101 -6.5062 -6.5061 -6.2952 -6.2950 -5.9264 -5.9261 -5.8007 -5.8007 -4.5688 -4.5682 -3.7957 -3.7952 -2.3760 -2.3712 -2.0790 -2.0762 -2.0168 -2.0155 -1.6926 -1.6924 -0.9510 -0.9476 -0.5674 -0.5666 0.4235 0.4235 0.8542 0.8542 3.3508 3.3619 3.7794 3.7880 5.3635 5.3649 6.0686 6.0687 k =-0.4074 0.1957 0.0000 ( 5102 PWs) bands (ev): -22.4855 -22.4855 -22.4268 -22.4268 -18.4744 -18.4744 -18.4643 -18.4643 -14.1171 -14.1171 -13.8973 -13.8973 -7.1083 -7.1080 -6.9189 -6.9185 -6.5081 -6.5081 -6.2965 -6.2964 -5.9235 -5.9233 -5.7997 -5.7997 -4.5694 -4.5690 -3.7914 -3.7909 -2.3751 -2.3709 -2.0651 -2.0617 -2.0226 -2.0206 -1.6947 -1.6945 -0.9535 -0.9506 -0.5623 -0.5616 0.4047 0.4048 0.8513 0.8513 3.3692 3.3799 3.7648 3.7734 5.3546 5.3557 6.0891 6.0893 k =-0.4259 0.2046 0.0000 ( 5106 PWs) bands (ev): -22.4851 -22.4851 -22.4271 -22.4271 -18.4751 -18.4751 -18.4639 -18.4639 -14.1177 -14.1177 -13.8959 -13.8959 -7.1041 -7.1039 -6.9261 -6.9258 -6.5097 -6.5097 -6.2977 -6.2975 -5.9211 -5.9210 -5.7988 -5.7988 -4.5699 -4.5695 -3.7877 -3.7873 -2.3740 -2.3704 -2.0537 -2.0492 -2.0279 -2.0246 -1.6967 -1.6965 -0.9554 -0.9531 -0.5581 -0.5575 0.3890 0.3890 0.8488 0.8488 3.3872 3.3971 3.7506 3.7588 5.3469 5.3478 6.1079 6.1084 k =-0.4444 0.2135 0.0000 ( 5108 PWs) bands (ev): -22.4848 -22.4848 -22.4273 -22.4273 -18.4757 -18.4757 -18.4636 -18.4636 -14.1181 -14.1181 -13.8947 -13.8947 -7.1005 -7.1003 -6.9322 -6.9319 -6.5109 -6.5109 -6.2986 -6.2985 -5.9193 -5.9192 -5.7982 -5.7982 -4.5702 -4.5699 -3.7848 -3.7844 -2.3728 -2.3701 -2.0457 -2.0390 -2.0324 -2.0267 -1.6984 -1.6983 -0.9569 -0.9551 -0.5548 -0.5543 0.3765 0.3765 0.8469 0.8469 3.4038 3.4122 3.7379 3.7450 5.3406 5.3414 6.1235 6.1254 k =-0.4630 0.2224 0.0000 ( 5112 PWs) bands (ev): -22.4846 -22.4846 -22.4275 -22.4275 -18.4761 -18.4761 -18.4634 -18.4634 -14.1184 -14.1184 -13.8939 -13.8939 -7.0977 -7.0976 -6.9367 -6.9365 -6.5119 -6.5119 -6.2993 -6.2992 -5.9180 -5.9179 -5.7977 -5.7977 -4.5704 -4.5702 -3.7826 -3.7824 -2.3717 -2.3698 -2.0418 -2.0361 -2.0313 -2.0262 -1.6998 -1.6997 -0.9579 -0.9567 -0.5523 -0.5520 0.3674 0.3674 0.8454 0.8454 3.4177 3.4238 3.7279 3.7333 5.3361 5.3366 6.1298 6.1304 k =-0.4815 0.2313 0.0000 ( 5104 PWs) bands (ev): -22.4845 -22.4845 -22.4277 -22.4277 -18.4763 -18.4763 -18.4632 -18.4632 -14.1186 -14.1186 -13.8933 -13.8933 -7.0959 -7.0958 -6.9395 -6.9394 -6.5124 -6.5124 -6.2997 -6.2996 -5.9172 -5.9172 -5.7974 -5.7974 -4.5705 -4.5704 -3.7812 -3.7811 -2.3708 -2.3699 -2.0408 -2.0386 -2.0264 -2.0245 -1.7007 -1.7006 -0.9583 -0.9577 -0.5508 -0.5506 0.3619 0.3619 0.8446 0.8446 3.4275 3.4308 3.7219 3.7248 5.3333 5.3336 6.1321 6.1322 k =-0.5000 0.2402 0.0000 ( 5100 PWs) bands (ev): -22.4845 -22.4845 -22.4277 -22.4277 -18.4764 -18.4764 -18.4632 -18.4632 -14.1187 -14.1187 -13.8932 -13.8932 -7.0953 -7.0953 -6.9404 -6.9404 -6.5126 -6.5126 -6.2998 -6.2998 -5.9169 -5.9169 -5.7973 -5.7973 -4.5705 -4.5705 -3.7808 -3.7808 -2.3702 -2.3702 -2.0400 -2.0400 -2.0242 -2.0242 -1.7010 -1.7010 -0.9583 -0.9583 -0.5502 -0.5502 0.3601 0.3601 0.8443 0.8443 3.4321 3.4321 3.7209 3.7209 5.3325 5.3325 6.1328 6.1328 k =-0.5000 0.2402 0.0000 ( 5100 PWs) bands (ev): -22.4845 -22.4845 -22.4277 -22.4277 -18.4764 -18.4764 -18.4632 -18.4632 -14.1187 -14.1187 -13.8932 -13.8932 -7.0953 -7.0953 -6.9404 -6.9404 -6.5126 -6.5126 -6.2998 -6.2998 -5.9169 -5.9169 -5.7973 -5.7973 -4.5705 -4.5705 -3.7808 -3.7808 -2.3702 -2.3702 -2.0400 -2.0400 -2.0242 -2.0242 -1.7010 -1.7010 -0.9583 -0.9583 -0.5502 -0.5502 0.3601 0.3601 0.8443 0.8443 3.4321 3.4321 3.7209 3.7209 5.3325 5.3325 6.1328 6.1328 k =-0.4913 0.2584-0.0000 ( 5104 PWs) bands (ev): -22.4844 -22.4844 -22.4277 -22.4277 -18.4764 -18.4764 -18.4632 -18.4632 -14.1187 -14.1187 -13.8932 -13.8932 -7.0953 -7.0952 -6.9403 -6.9403 -6.5123 -6.5120 -6.2998 -6.2993 -5.9176 -5.9170 -5.7980 -5.7974 -4.5707 -4.5705 -3.7809 -3.7808 -2.3702 -2.3701 -2.0485 -2.0417 -2.0229 -2.0154 -1.7016 -1.7015 -0.9586 -0.9573 -0.5512 -0.5497 0.3603 0.3614 0.8442 0.8446 3.4323 3.4326 3.7206 3.7208 5.3327 5.3328 6.1322 6.1330 k =-0.4825 0.2766-0.0000 ( 5104 PWs) bands (ev): -22.4843 -22.4843 -22.4279 -22.4279 -18.4764 -18.4764 -18.4632 -18.4632 -14.1187 -14.1187 -13.8933 -13.8933 -7.0953 -7.0952 -6.9399 -6.9399 -6.5112 -6.5104 -6.2993 -6.2985 -5.9190 -5.9178 -5.7993 -5.7982 -4.5712 -4.5709 -3.7814 -3.7812 -2.3700 -2.3700 -2.0587 -2.0511 -2.0137 -2.0050 -1.7035 -1.7033 -0.9584 -0.9558 -0.5527 -0.5497 0.3620 0.3643 0.8443 0.8450 3.4332 3.4338 3.7200 3.7203 5.3333 5.3335 6.1314 6.1330 k =-0.4738 0.2948-0.0000 ( 5098 PWs) bands (ev): -22.4840 -22.4840 -22.4281 -22.4281 -18.4765 -18.4764 -18.4631 -18.4631 -14.1186 -14.1186 -13.8935 -13.8935 -7.0953 -7.0952 -6.9392 -6.9391 -6.5091 -6.5080 -6.2984 -6.2971 -5.9212 -5.9194 -5.8014 -5.7997 -4.5719 -4.5714 -3.7821 -3.7818 -2.3698 -2.3697 -2.0690 -2.0615 -2.0036 -1.9943 -1.7066 -1.7063 -0.9575 -0.9537 -0.5547 -0.5502 0.3653 0.3688 0.8445 0.8456 3.4346 3.4356 3.7191 3.7196 5.3344 5.3347 6.1302 6.1326 k =-0.4650 0.3130-0.0000 ( 5086 PWs) bands (ev): -22.4836 -22.4836 -22.4285 -22.4285 -18.4765 -18.4765 -18.4631 -18.4631 -14.1186 -14.1186 -13.8938 -13.8938 -7.0953 -7.0952 -6.9382 -6.9381 -6.5061 -6.5047 -6.2970 -6.2953 -5.9241 -5.9218 -5.8042 -5.8019 -4.5729 -4.5722 -3.7831 -3.7827 -2.3695 -2.3694 -2.0792 -2.0719 -1.9934 -1.9837 -1.7109 -1.7105 -0.9561 -0.9510 -0.5570 -0.5511 0.3701 0.3747 0.8450 0.8464 3.4368 3.4380 3.7179 3.7185 5.3359 5.3364 6.1285 6.1319 k =-0.4563 0.3312-0.0000 ( 5090 PWs) bands (ev): -22.4832 -22.4832 -22.4289 -22.4289 -18.4765 -18.4765 -18.4630 -18.4630 -14.1185 -14.1185 -13.8942 -13.8942 -7.0953 -7.0951 -6.9370 -6.9368 -6.5023 -6.5005 -6.2952 -6.2931 -5.9277 -5.9249 -5.8078 -5.8049 -4.5741 -4.5733 -3.7843 -3.7839 -2.3691 -2.3690 -2.0893 -2.0821 -1.9833 -1.9733 -1.7164 -1.7159 -0.9541 -0.9479 -0.5598 -0.5525 0.3763 0.3820 0.8455 0.8473 3.4395 3.4411 3.7163 3.7171 5.3380 5.3385 6.1261 6.1304 k =-0.4476 0.3494-0.0000 ( 5090 PWs) bands (ev): -22.4826 -22.4826 -22.4295 -22.4295 -18.4765 -18.4765 -18.4630 -18.4630 -14.1184 -14.1184 -13.8946 -13.8946 -7.0953 -7.0951 -6.9354 -6.9353 -6.4977 -6.4954 -6.2930 -6.2904 -5.9321 -5.9287 -5.8120 -5.8086 -4.5755 -4.5746 -3.7858 -3.7853 -2.3686 -2.3685 -2.0990 -2.0920 -1.9735 -1.9631 -1.7231 -1.7224 -0.9517 -0.9442 -0.5630 -0.5542 0.3840 0.3907 0.8463 0.8484 3.4429 3.4448 3.7144 3.7153 5.3405 5.3412 6.1229 6.1280 k =-0.4388 0.3676-0.0000 ( 5092 PWs) bands (ev): -22.4820 -22.4820 -22.4301 -22.4301 -18.4766 -18.4765 -18.4629 -18.4629 -14.1183 -14.1183 -13.8951 -13.8951 -7.0953 -7.0951 -6.9336 -6.9335 -6.4922 -6.4896 -6.2902 -6.2872 -5.9371 -5.9331 -5.8170 -5.8130 -4.5772 -4.5761 -3.7876 -3.7870 -2.3681 -2.3679 -2.1084 -2.1015 -1.9639 -1.9532 -1.7309 -1.7301 -0.9487 -0.9402 -0.5664 -0.5563 0.3929 0.4006 0.8471 0.8496 3.4469 3.4490 3.7121 3.7132 5.3435 5.3443 6.1185 6.1240 k =-0.4301 0.3858-0.0000 ( 5084 PWs) bands (ev): -22.4812 -22.4812 -22.4308 -22.4308 -18.4766 -18.4766 -18.4628 -18.4628 -14.1182 -14.1182 -13.8957 -13.8957 -7.0954 -7.0951 -6.9316 -6.9314 -6.4859 -6.4829 -6.2870 -6.2836 -5.9428 -5.9383 -5.8226 -5.8181 -4.5790 -4.5777 -3.7895 -3.7888 -2.3674 -2.3672 -2.1172 -2.1106 -1.9545 -1.9436 -1.7398 -1.7388 -0.9454 -0.9357 -0.5700 -0.5587 0.4031 0.4117 0.8481 0.8510 3.4514 3.4538 3.7095 3.7107 5.3471 5.3480 6.1128 6.1181 k =-0.4213 0.4040-0.0000 ( 5076 PWs) bands (ev): -22.4804 -22.4804 -22.4316 -22.4316 -18.4766 -18.4766 -18.4627 -18.4627 -14.1181 -14.1180 -13.8964 -13.8964 -7.0954 -7.0952 -6.9292 -6.9290 -6.4789 -6.4754 -6.2833 -6.2794 -5.9492 -5.9442 -5.8289 -5.8240 -4.5810 -4.5796 -3.7917 -3.7909 -2.3667 -2.3664 -2.1256 -2.1191 -1.9455 -1.9344 -1.7498 -1.7487 -0.9416 -0.9310 -0.5739 -0.5613 0.4144 0.4239 0.8493 0.8524 3.4564 3.4591 3.7065 3.7078 5.3511 5.3521 6.1056 6.1104 k =-0.4126 0.4222-0.0000 ( 5076 PWs) bands (ev): -22.4795 -22.4795 -22.4326 -22.4325 -18.4767 -18.4767 -18.4626 -18.4626 -14.1179 -14.1179 -13.8971 -13.8971 -7.0955 -7.0953 -6.9267 -6.9264 -6.4712 -6.4672 -6.2792 -6.2748 -5.9562 -5.9506 -5.8360 -5.8305 -4.5831 -4.5816 -3.7940 -3.7932 -2.3659 -2.3656 -2.1334 -2.1269 -1.9369 -1.9255 -1.7608 -1.7595 -0.9375 -0.9260 -0.5779 -0.5641 0.4268 0.4370 0.8505 0.8540 3.4619 3.4648 3.7032 3.7046 5.3557 5.3568 6.0970 6.1013 k =-0.4038 0.4403-0.0000 ( 5086 PWs) bands (ev): -22.4785 -22.4785 -22.4335 -22.4335 -18.4767 -18.4767 -18.4625 -18.4625 -14.1177 -14.1177 -13.8979 -13.8979 -7.0957 -7.0954 -6.9239 -6.9236 -6.4627 -6.4583 -6.2745 -6.2696 -5.9637 -5.9577 -5.8437 -5.8377 -4.5854 -4.5837 -3.7966 -3.7956 -2.3650 -2.3647 -2.1405 -2.1342 -1.9286 -1.9170 -1.7728 -1.7713 -0.9332 -0.9208 -0.5819 -0.5670 0.4401 0.4511 0.8519 0.8556 3.4679 3.4711 3.6995 3.7010 5.3608 5.3621 6.0872 6.0909 k =-0.3951 0.4585-0.0000 ( 5082 PWs) bands (ev): -22.4774 -22.4774 -22.4346 -22.4346 -18.4768 -18.4768 -18.4623 -18.4623 -14.1175 -14.1175 -13.8988 -13.8987 -7.0959 -7.0956 -6.9208 -6.9205 -6.4536 -6.4488 -6.2693 -6.2639 -5.9719 -5.9654 -5.8521 -5.8456 -4.5877 -4.5859 -3.7992 -3.7983 -2.3641 -2.3637 -2.1470 -2.1407 -1.9207 -1.9088 -1.7858 -1.7840 -0.9286 -0.9154 -0.5860 -0.5701 0.4542 0.4659 0.8533 0.8574 3.4742 3.4777 3.6954 3.6970 5.3665 5.3679 6.0762 6.0795 k =-0.3864 0.4767-0.0000 ( 5092 PWs) bands (ev): -22.4762 -22.4762 -22.4358 -22.4358 -18.4768 -18.4768 -18.4622 -18.4622 -14.1173 -14.1173 -13.8997 -13.8996 -7.0961 -7.0958 -6.9175 -6.9173 -6.4440 -6.4387 -6.2636 -6.2577 -5.9806 -5.9737 -5.8611 -5.8542 -4.5901 -4.5881 -3.8021 -3.8010 -2.3631 -2.3626 -2.1527 -2.1464 -1.9132 -1.9012 -1.7995 -1.7975 -0.9239 -0.9100 -0.5901 -0.5731 0.4691 0.4813 0.8548 0.8591 3.4810 3.4846 3.6909 3.6927 5.3727 5.3742 6.0642 6.0671 k =-0.3776 0.4949-0.0000 ( 5088 PWs) bands (ev): -22.4749 -22.4749 -22.4370 -22.4370 -18.4769 -18.4769 -18.4620 -18.4620 -14.1171 -14.1171 -13.9007 -13.9006 -7.0964 -7.0961 -6.9140 -6.9138 -6.4338 -6.4280 -6.2573 -6.2509 -5.9898 -5.9825 -5.8707 -5.8633 -4.5924 -4.5904 -3.8050 -3.8039 -2.3620 -2.3615 -2.1576 -2.1513 -1.9061 -1.8940 -1.8140 -1.8117 -0.9191 -0.9045 -0.5941 -0.5762 0.4846 0.4974 0.8564 0.8610 3.4881 3.4919 3.6861 3.6880 5.3795 5.3811 6.0514 6.0539 k =-0.3689 0.5131-0.0000 ( 5084 PWs) bands (ev): -22.4736 -22.4736 -22.4383 -22.4383 -18.4769 -18.4769 -18.4618 -18.4618 -14.1169 -14.1168 -13.9017 -13.9016 -7.0968 -7.0965 -6.9104 -6.9101 -6.4230 -6.4168 -6.2504 -6.2436 -5.9995 -5.9918 -5.8809 -5.8731 -4.5948 -4.5927 -3.8081 -3.8069 -2.3608 -2.3603 -2.1617 -2.1554 -1.8996 -1.8875 -1.8290 -1.8264 -0.9143 -0.8991 -0.5980 -0.5792 0.5006 0.5139 0.8580 0.8628 3.4954 3.4994 3.6810 3.6829 5.3868 5.3885 6.0377 6.0399 k =-0.3601 0.5313-0.0000 ( 5076 PWs) bands (ev): -22.4722 -22.4722 -22.4397 -22.4397 -18.4770 -18.4770 -18.4616 -18.4616 -14.1166 -14.1166 -13.9028 -13.9027 -7.0973 -7.0969 -6.9065 -6.9062 -6.4119 -6.4051 -6.2430 -6.2357 -6.0097 -6.0015 -5.8917 -5.8835 -4.5971 -4.5949 -3.8112 -3.8100 -2.3595 -2.3590 -2.1650 -2.1587 -1.8940 -1.8821 -1.8441 -1.8410 -0.9094 -0.8937 -0.6018 -0.5822 0.5171 0.5308 0.8597 0.8648 3.5030 3.5072 3.6754 3.6775 5.3947 5.3965 6.0233 6.0252 k =-0.3514 0.5495-0.0000 ( 5072 PWs) bands (ev): -22.4708 -22.4708 -22.4412 -22.4411 -18.4770 -18.4770 -18.4614 -18.4614 -14.1163 -14.1163 -13.9039 -13.9038 -7.0978 -7.0975 -6.9024 -6.9021 -6.4003 -6.3931 -6.2350 -6.2272 -6.0203 -6.0118 -5.9030 -5.8944 -4.5994 -4.5971 -3.8144 -3.8132 -2.3582 -2.3576 -2.1674 -2.1611 -1.8907 -1.8800 -1.8580 -1.8532 -0.9046 -0.8885 -0.6054 -0.5851 0.5338 0.5479 0.8614 0.8667 3.5107 3.5151 3.6695 3.6717 5.4030 5.4049 6.0082 6.0098 k =-0.3427 0.5677-0.0000 ( 5080 PWs) bands (ev): -22.4692 -22.4692 -22.4427 -22.4427 -18.4771 -18.4771 -18.4612 -18.4612 -14.1161 -14.1160 -13.9050 -13.9050 -7.0985 -7.0981 -6.8982 -6.8979 -6.3885 -6.3808 -6.2264 -6.2182 -6.0313 -6.0225 -5.9147 -5.9058 -4.6015 -4.5992 -3.8176 -3.8164 -2.3568 -2.3562 -2.1690 -2.1627 -1.8938 -1.8866 -1.8663 -1.8576 -0.8999 -0.8834 -0.6090 -0.5879 0.5508 0.5652 0.8632 0.8686 3.5186 3.5232 3.6633 3.6655 5.4119 5.4139 5.9924 5.9939 k =-0.3339 0.5859-0.0000 ( 5086 PWs) bands (ev): -22.4677 -22.4677 -22.4442 -22.4442 -18.4771 -18.4771 -18.4610 -18.4610 -14.1157 -14.1157 -13.9062 -13.9062 -7.0992 -7.0989 -6.8939 -6.8935 -6.3764 -6.3683 -6.2173 -6.2086 -6.0428 -6.0336 -5.9269 -5.9176 -4.6035 -4.6011 -3.8209 -3.8196 -2.3554 -2.3547 -2.1697 -2.1634 -1.9061 -1.9010 -1.8662 -1.8551 -0.8952 -0.8785 -0.6124 -0.5907 0.5679 0.5826 0.8649 0.8705 3.5266 3.5313 3.6567 3.6590 5.4212 5.4233 5.9761 5.9773 k =-0.3252 0.6041-0.0000 ( 5092 PWs) bands (ev): -22.4661 -22.4661 -22.4458 -22.4458 -18.4772 -18.4772 -18.4608 -18.4607 -14.1154 -14.1154 -13.9075 -13.9074 -7.1001 -7.0997 -6.8894 -6.8890 -6.3641 -6.3556 -6.2074 -6.1984 -6.0546 -6.0451 -5.9395 -5.9298 -4.6054 -4.6029 -3.8242 -3.8229 -2.3539 -2.3532 -2.1696 -2.1632 -1.9227 -1.9180 -1.8624 -1.8507 -0.8908 -0.8738 -0.6156 -0.5934 0.5851 0.5999 0.8666 0.8724 3.5347 3.5394 3.6498 3.6522 5.4310 5.4332 5.9594 5.9604 k =-0.3164 0.6223-0.0000 ( 5094 PWs) bands (ev): -22.4644 -22.4644 -22.4475 -22.4475 -18.4772 -18.4772 -18.4605 -18.4605 -14.1151 -14.1150 -13.9087 -13.9087 -7.1011 -7.1007 -6.8847 -6.8844 -6.3516 -6.3428 -6.1970 -6.1876 -6.0667 -6.0570 -5.9523 -5.9424 -4.6070 -4.6044 -3.8275 -3.8261 -2.3524 -2.3516 -2.1687 -2.1622 -1.9407 -1.9360 -1.8578 -1.8458 -0.8865 -0.8694 -0.6188 -0.5960 0.6022 0.6172 0.8683 0.8742 3.5427 3.5476 3.6426 3.6451 5.4412 5.4435 5.9422 5.9430 k =-0.3077 0.6405-0.0000 ( 5094 PWs) bands (ev): -22.4627 -22.4627 -22.4492 -22.4492 -18.4772 -18.4772 -18.4603 -18.4602 -14.1147 -14.1146 -13.9100 -13.9099 -7.1022 -7.1019 -6.8800 -6.8797 -6.3390 -6.3299 -6.1860 -6.1763 -6.0792 -6.0693 -5.9655 -5.9553 -4.6084 -4.6058 -3.8307 -3.8294 -2.3508 -2.3499 -2.1669 -2.1604 -1.9594 -1.9545 -1.8530 -1.8409 -0.8824 -0.8652 -0.6218 -0.5985 0.6193 0.6344 0.8700 0.8760 3.5507 3.5556 3.6350 3.6376 5.4518 5.4542 5.9247 5.9252 k =-0.3077 0.6405-0.0000 ( 5094 PWs) bands (ev): -22.4627 -22.4627 -22.4492 -22.4492 -18.4772 -18.4772 -18.4603 -18.4602 -14.1147 -14.1146 -13.9100 -13.9099 -7.1022 -7.1019 -6.8800 -6.8797 -6.3390 -6.3299 -6.1860 -6.1763 -6.0792 -6.0693 -5.9655 -5.9553 -4.6084 -4.6058 -3.8307 -3.8294 -2.3508 -2.3499 -2.1669 -2.1604 -1.9594 -1.9545 -1.8530 -1.8409 -0.8824 -0.8652 -0.6218 -0.5985 0.6193 0.6344 0.8700 0.8760 3.5507 3.5556 3.6350 3.6376 5.4518 5.4542 5.9247 5.9252 k =-0.3077 0.6405 0.0204 ( 5088 PWs) bands (ev): -22.4627 -22.4627 -22.4492 -22.4492 -18.4772 -18.4772 -18.4602 -18.4602 -14.1146 -14.1145 -13.9101 -13.9100 -7.1023 -7.1020 -6.8804 -6.8800 -6.3400 -6.3310 -6.1849 -6.1754 -6.0813 -6.0717 -5.9636 -5.9538 -4.6081 -4.6055 -3.8311 -3.8298 -2.3510 -2.3501 -2.1667 -2.1602 -1.9592 -1.9544 -1.8532 -1.8411 -0.8818 -0.8646 -0.6211 -0.5979 0.6192 0.6343 0.8696 0.8756 3.5509 3.5558 3.6354 3.6380 5.4527 5.4551 5.9246 5.9252 k =-0.3077 0.6405 0.0409 ( 5088 PWs) bands (ev): -22.4626 -22.4626 -22.4492 -22.4492 -18.4772 -18.4772 -18.4602 -18.4602 -14.1142 -14.1142 -13.9102 -13.9102 -7.1027 -7.1023 -6.8816 -6.8812 -6.3431 -6.3344 -6.1819 -6.1727 -6.0872 -6.0785 -5.9585 -5.9496 -4.6072 -4.6046 -3.8324 -3.8310 -2.3516 -2.3508 -2.1661 -2.1594 -1.9588 -1.9540 -1.8537 -1.8416 -0.8800 -0.8629 -0.6189 -0.5958 0.6191 0.6341 0.8684 0.8743 3.5514 3.5563 3.6363 3.6389 5.4555 5.4579 5.9244 5.9250 k =-0.3077 0.6405 0.0613 ( 5078 PWs) bands (ev): -22.4625 -22.4625 -22.4491 -22.4491 -18.4771 -18.4771 -18.4602 -18.4602 -14.1136 -14.1135 -13.9105 -13.9104 -7.1033 -7.1029 -6.8835 -6.8831 -6.3479 -6.3398 -6.1770 -6.1684 -6.0963 -6.0886 -5.9512 -5.9433 -4.6058 -4.6032 -3.8344 -3.8331 -2.3527 -2.3518 -2.1650 -2.1583 -1.9581 -1.9532 -1.8546 -1.8424 -0.8771 -0.8601 -0.6155 -0.5924 0.6188 0.6338 0.8664 0.8723 3.5523 3.5572 3.6379 3.6405 5.4600 5.4624 5.9242 5.9248 k =-0.3077 0.6405 0.0818 ( 5069 PWs) bands (ev): -22.4623 -22.4623 -22.4490 -22.4490 -18.4770 -18.4769 -18.4602 -18.4602 -14.1127 -14.1127 -13.9109 -13.9108 -7.1041 -7.1037 -6.8862 -6.8859 -6.3543 -6.3468 -6.1707 -6.1628 -6.1078 -6.1012 -5.9426 -5.9357 -4.6037 -4.6011 -3.8372 -3.8359 -2.3542 -2.3532 -2.1636 -2.1567 -1.9570 -1.9522 -1.8559 -1.8435 -0.8730 -0.8562 -0.6107 -0.5878 0.6184 0.6334 0.8636 0.8694 3.5535 3.5584 3.6401 3.6427 5.4663 5.4687 5.9238 5.9245 k =-0.3077 0.6405 0.1022 ( 5069 PWs) bands (ev): -22.4621 -22.4621 -22.4489 -22.4489 -18.4768 -18.4768 -18.4602 -18.4602 -14.1116 -14.1116 -13.9114 -13.9113 -7.1052 -7.1048 -6.8896 -6.8893 -6.3619 -6.3551 -6.1634 -6.1560 -6.1210 -6.1153 -5.9334 -5.9274 -4.6011 -4.5985 -3.8408 -3.8396 -2.3560 -2.3550 -2.1619 -2.1549 -1.9557 -1.9509 -1.8574 -1.8449 -0.8678 -0.8511 -0.6046 -0.5819 0.6179 0.6328 0.8600 0.8657 3.5551 3.5600 3.6429 3.6454 5.4744 5.4768 5.9233 5.9241 k =-0.3077 0.6405 0.1227 ( 5065 PWs) bands (ev): -22.4619 -22.4619 -22.4488 -22.4488 -18.4766 -18.4766 -18.4602 -18.4602 -14.1103 -14.1102 -13.9120 -13.9119 -7.1064 -7.1061 -6.8938 -6.8935 -6.3705 -6.3644 -6.1552 -6.1486 -6.1355 -6.1307 -5.9241 -5.9188 -4.5979 -4.5953 -3.8452 -3.8440 -2.3583 -2.3572 -2.1600 -2.1527 -1.9541 -1.9493 -1.8591 -1.8465 -0.8615 -0.8451 -0.5974 -0.5750 0.6173 0.6321 0.8557 0.8613 3.5570 3.5619 3.6463 3.6487 5.4841 5.4865 5.9226 5.9236 k =-0.3077 0.6405 0.1431 ( 5068 PWs) bands (ev): -22.4616 -22.4616 -22.4487 -22.4487 -18.4764 -18.4764 -18.4602 -18.4602 -14.1087 -14.1086 -13.9127 -13.9126 -7.1079 -7.1076 -6.8987 -6.8984 -6.3800 -6.3744 -6.1515 -6.1477 -6.1455 -6.1400 -5.9149 -5.9103 -4.5941 -4.5916 -3.8504 -3.8492 -2.3608 -2.3596 -2.1580 -2.1504 -1.9522 -1.9475 -1.8610 -1.8482 -0.8541 -0.8379 -0.5892 -0.5670 0.6166 0.6314 0.8507 0.8561 3.5593 3.5641 3.6501 3.6525 5.4954 5.4978 5.9218 5.9229 k =-0.3077 0.6405 0.1636 ( 5056 PWs) bands (ev): -22.4612 -22.4612 -22.4485 -22.4485 -18.4762 -18.4761 -18.4602 -18.4602 -14.1069 -14.1068 -13.9135 -13.9135 -7.1096 -7.1092 -6.9043 -6.9039 -6.3900 -6.3849 -6.1677 -6.1638 -6.1371 -6.1314 -5.9060 -5.9019 -4.5898 -4.5872 -3.8563 -3.8552 -2.3635 -2.3623 -2.1559 -2.1481 -1.9500 -1.9453 -1.8630 -1.8501 -0.8457 -0.8298 -0.5800 -0.5581 0.6159 0.6305 0.8451 0.8503 3.5619 3.5667 3.6544 3.6567 5.5082 5.5107 5.9208 5.9220 k =-0.3077 0.6405 0.1840 ( 5052 PWs) bands (ev): -22.4608 -22.4608 -22.4483 -22.4483 -18.4759 -18.4759 -18.4602 -18.4602 -14.1048 -14.1048 -13.9144 -13.9144 -7.1115 -7.1111 -6.9104 -6.9101 -6.4004 -6.3958 -6.1846 -6.1811 -6.1276 -6.1224 -5.8976 -5.8939 -4.5848 -4.5823 -3.8630 -3.8619 -2.3665 -2.3652 -2.1539 -2.1458 -1.9474 -1.9428 -1.8651 -1.8520 -0.8363 -0.8207 -0.5700 -0.5484 0.6151 0.6296 0.8389 0.8439 3.5649 3.5697 3.6591 3.6614 5.5225 5.5250 5.9195 5.9210 k =-0.3077 0.6405 0.2045 ( 5056 PWs) bands (ev): -22.4604 -22.4604 -22.4481 -22.4481 -18.4756 -18.4756 -18.4602 -18.4602 -14.1026 -14.1026 -13.9155 -13.9155 -7.1135 -7.1132 -6.9172 -6.9169 -6.4111 -6.4069 -6.2018 -6.1988 -6.1178 -6.1131 -5.8896 -5.8863 -4.5793 -4.5768 -3.8704 -3.8693 -2.3696 -2.3683 -2.1520 -2.1437 -1.9446 -1.9400 -1.8671 -1.8540 -0.8259 -0.8107 -0.5593 -0.5381 0.6142 0.6286 0.8321 0.8369 3.5683 3.5730 3.6642 3.6663 5.5381 5.5406 5.9181 5.9198 k =-0.3077 0.6405 0.2249 ( 5052 PWs) bands (ev): -22.4600 -22.4600 -22.4479 -22.4479 -18.4752 -18.4752 -18.4602 -18.4602 -14.1001 -14.1001 -13.9167 -13.9166 -7.1157 -7.1154 -6.9246 -6.9243 -6.4220 -6.4181 -6.2194 -6.2167 -6.1079 -6.1036 -5.8821 -5.8791 -4.5732 -4.5707 -3.8784 -3.8774 -2.3728 -2.3714 -2.1505 -2.1420 -1.9416 -1.9369 -1.8689 -1.8558 -0.8146 -0.7999 -0.5481 -0.5273 0.6133 0.6275 0.8248 0.8295 3.5719 3.5766 3.6695 3.6716 5.5548 5.5574 5.9164 5.9184 k =-0.3077 0.6405 0.2454 ( 5058 PWs) bands (ev): -22.4595 -22.4595 -22.4477 -22.4477 -18.4749 -18.4749 -18.4602 -18.4602 -14.0975 -14.0974 -13.9180 -13.9180 -7.1181 -7.1177 -6.9325 -6.9322 -6.4329 -6.4294 -6.2372 -6.2347 -6.0980 -6.0940 -5.8752 -5.8725 -4.5665 -4.5641 -3.8872 -3.8862 -2.3761 -2.3745 -2.1494 -2.1407 -1.9382 -1.9336 -1.8705 -1.8574 -0.8025 -0.7882 -0.5365 -0.5161 0.6124 0.6264 0.8171 0.8215 3.5760 3.5806 3.6751 3.6771 5.5727 5.5753 5.9144 5.9168 k =-0.3077 0.6405 0.2658 ( 5061 PWs) bands (ev): -22.4590 -22.4590 -22.4475 -22.4475 -18.4745 -18.4745 -18.4602 -18.4602 -14.0946 -14.0945 -13.9194 -13.9194 -7.1206 -7.1202 -6.9409 -6.9406 -6.4439 -6.4407 -6.2551 -6.2529 -6.0880 -6.0843 -5.8689 -5.8665 -4.5592 -4.5568 -3.8965 -3.8957 -2.3793 -2.3776 -2.1489 -2.1401 -1.9347 -1.9301 -1.8718 -1.8588 -0.7896 -0.7758 -0.5246 -0.5047 0.6115 0.6253 0.8091 0.8132 3.5803 3.5849 3.6808 3.6827 5.5915 5.5942 5.9122 5.9150 k =-0.3077 0.6405 0.2863 ( 5063 PWs) bands (ev): -22.4584 -22.4584 -22.4473 -22.4473 -18.4741 -18.4741 -18.4602 -18.4602 -14.0915 -14.0915 -13.9210 -13.9209 -7.1232 -7.1228 -6.9496 -6.9494 -6.4547 -6.4518 -6.2729 -6.2709 -6.0779 -6.0745 -5.8632 -5.8609 -4.5514 -4.5490 -3.9065 -3.9057 -2.3823 -2.3806 -2.1490 -2.1401 -1.9309 -1.9263 -1.8727 -1.8599 -0.7760 -0.7627 -0.5127 -0.4933 0.6106 0.6241 0.8007 0.8046 3.5850 3.5895 3.6866 3.6884 5.6111 5.6139 5.9098 5.9129 k =-0.3077 0.6405 0.3067 ( 5062 PWs) bands (ev): -22.4579 -22.4579 -22.4470 -22.4470 -18.4737 -18.4737 -18.4602 -18.4602 -14.0883 -14.0882 -13.9227 -13.9226 -7.1258 -7.1255 -6.9588 -6.9585 -6.4654 -6.4627 -6.2907 -6.2889 -6.0679 -6.0647 -5.8580 -5.8560 -4.5430 -4.5407 -3.9171 -3.9164 -2.3852 -2.3835 -2.1498 -2.1410 -1.9269 -1.9224 -1.8731 -1.8606 -0.7617 -0.7490 -0.5008 -0.4819 0.6097 0.6230 0.7921 0.7957 3.5900 3.5945 3.6924 3.6942 5.6313 5.6342 5.9072 5.9107 k =-0.3077 0.6405 0.3272 ( 5054 PWs) bands (ev): -22.4573 -22.4573 -22.4468 -22.4468 -18.4733 -18.4733 -18.4602 -18.4602 -14.0849 -14.0848 -13.9245 -13.9244 -7.1285 -7.1282 -6.9683 -6.9680 -6.4758 -6.4734 -6.3083 -6.3067 -6.0579 -6.0550 -5.8535 -5.8516 -4.5340 -4.5318 -3.9283 -3.9276 -2.3879 -2.3861 -2.1514 -2.1428 -1.9228 -1.9182 -1.8730 -1.8609 -0.7468 -0.7347 -0.4891 -0.4707 0.6088 0.6219 0.7833 0.7866 3.5954 3.5997 3.6982 3.6999 5.6520 5.6550 5.9045 5.9083 k =-0.3077 0.6405 0.3476 ( 5053 PWs) bands (ev): -22.4567 -22.4567 -22.4466 -22.4466 -18.4728 -18.4728 -18.4602 -18.4602 -14.0813 -14.0812 -13.9264 -13.9264 -7.1313 -7.1310 -6.9780 -6.9778 -6.4860 -6.4838 -6.3258 -6.3243 -6.0479 -6.0452 -5.8495 -5.8478 -4.5245 -4.5223 -3.9400 -3.9394 -2.3903 -2.3884 -2.1540 -2.1455 -1.9185 -1.9140 -1.8724 -1.8609 -0.7314 -0.7200 -0.4777 -0.4598 0.6081 0.6208 0.7743 0.7774 3.6010 3.6052 3.7039 3.7054 5.6730 5.6761 5.9017 5.9058 k =-0.3077 0.6405 0.3681 ( 5048 PWs) bands (ev): -22.4561 -22.4561 -22.4463 -22.4463 -18.4724 -18.4724 -18.4603 -18.4602 -14.0775 -14.0775 -13.9285 -13.9285 -7.1340 -7.1337 -6.9879 -6.9877 -6.4958 -6.4937 -6.3429 -6.3416 -6.0381 -6.0355 -5.8461 -5.8446 -4.5145 -4.5123 -3.9522 -3.9517 -2.3923 -2.3904 -2.1574 -2.1493 -1.9141 -1.9096 -1.8713 -1.8604 -0.7156 -0.7048 -0.4667 -0.4494 0.6074 0.6198 0.7653 0.7680 3.6069 3.6110 3.7094 3.7108 5.6941 5.6974 5.8989 5.9033 k =-0.3077 0.6405 0.3885 ( 5052 PWs) bands (ev): -22.4555 -22.4555 -22.4461 -22.4461 -18.4719 -18.4719 -18.4603 -18.4603 -14.0737 -14.0736 -13.9307 -13.9307 -7.1368 -7.1364 -6.9980 -6.9978 -6.5052 -6.5033 -6.3597 -6.3586 -6.0282 -6.0259 -5.8434 -5.8419 -4.5039 -4.5018 -3.9649 -3.9645 -2.3940 -2.3920 -2.1617 -2.1540 -1.9096 -1.9052 -1.8698 -1.8594 -0.6994 -0.6893 -0.4563 -0.4396 0.6068 0.6189 0.7563 0.7587 3.6130 3.6170 3.7147 3.7160 5.7151 5.7185 5.8961 5.9008 k =-0.3077 0.6405 0.4090 ( 5057 PWs) bands (ev): -22.4548 -22.4548 -22.4459 -22.4459 -18.4714 -18.4714 -18.4604 -18.4604 -14.0697 -14.0696 -13.9331 -13.9330 -7.1394 -7.1391 -7.0082 -7.0079 -6.5141 -6.5123 -6.3761 -6.3751 -6.0185 -6.0164 -5.8411 -5.8398 -4.4929 -4.4908 -3.9781 -3.9777 -2.3951 -2.3931 -2.1668 -2.1596 -1.9051 -1.9007 -1.8678 -1.8582 -0.6829 -0.6735 -0.4465 -0.4305 0.6063 0.6180 0.7474 0.7494 3.6193 3.6232 3.7196 3.7208 5.7357 5.7394 5.8935 5.8984 k =-0.3077 0.6405 0.4294 ( 5056 PWs) bands (ev): -22.4542 -22.4542 -22.4457 -22.4457 -18.4709 -18.4709 -18.4604 -18.4604 -14.0655 -14.0655 -13.9355 -13.9355 -7.1420 -7.1417 -7.0183 -7.0181 -6.5225 -6.5209 -6.3921 -6.3912 -6.0089 -6.0069 -5.8395 -5.8383 -4.4813 -4.4792 -3.9917 -3.9914 -2.3958 -2.3938 -2.1728 -2.1661 -1.9006 -1.8962 -1.8654 -1.8566 -0.6663 -0.6575 -0.4375 -0.4222 0.6060 0.6173 0.7385 0.7402 3.6258 3.6296 3.7242 3.7253 5.7559 5.7598 5.8910 5.8962 k =-0.3077 0.6405 0.4499 ( 5070 PWs) bands (ev): -22.4536 -22.4536 -22.4455 -22.4455 -18.4704 -18.4704 -18.4605 -18.4605 -14.0613 -14.0613 -13.9382 -13.9381 -7.1444 -7.1441 -7.0285 -7.0283 -6.5303 -6.5288 -6.4076 -6.4068 -5.9994 -5.9976 -5.8383 -5.8373 -4.4693 -4.4672 -4.0057 -4.0055 -2.3959 -2.3939 -2.1796 -2.1734 -1.8960 -1.8918 -1.8628 -1.8547 -0.6495 -0.6415 -0.4294 -0.4147 0.6058 0.6167 0.7298 0.7312 3.6325 3.6361 3.7284 3.7293 5.7753 5.7794 5.8889 5.8942 k =-0.3077 0.6405 0.4703 ( 5072 PWs) bands (ev): -22.4529 -22.4529 -22.4454 -22.4454 -18.4699 -18.4699 -18.4606 -18.4606 -14.0570 -14.0569 -13.9409 -13.9409 -7.1467 -7.1464 -7.0385 -7.0383 -6.5375 -6.5362 -6.4226 -6.4218 -5.9900 -5.9883 -5.8378 -5.8368 -4.4567 -4.4548 -4.0201 -4.0200 -2.3955 -2.3935 -2.1871 -2.1815 -1.8916 -1.8875 -1.8599 -1.8526 -0.6326 -0.6253 -0.4222 -0.4081 0.6057 0.6163 0.7212 0.7223 3.6393 3.6428 3.7322 3.7329 5.7937 5.7981 5.8870 5.8925 k =-0.3077 0.6405 0.4908 ( 5074 PWs) bands (ev): -22.4523 -22.4523 -22.4452 -22.4452 -18.4695 -18.4694 -18.4607 -18.4607 -14.0526 -14.0525 -13.9438 -13.9438 -7.1488 -7.1485 -7.0484 -7.0482 -6.5441 -6.5429 -6.4369 -6.4363 -5.9808 -5.9792 -5.8377 -5.8369 -4.4438 -4.4419 -4.0348 -4.0348 -2.3945 -2.3925 -2.1952 -2.1901 -1.8872 -1.8833 -1.8570 -1.8504 -0.6158 -0.6093 -0.4160 -0.4026 0.6059 0.6161 0.7129 0.7136 3.6461 3.6495 3.7354 3.7361 5.8109 5.8157 5.8855 5.8911 k =-0.3077 0.6405 0.5112 ( 5065 PWs) bands (ev): -22.4517 -22.4517 -22.4451 -22.4451 -18.4690 -18.4690 -18.4608 -18.4608 -14.0481 -14.0480 -13.9469 -13.9468 -7.1506 -7.1503 -7.0581 -7.0579 -6.5500 -6.5489 -6.4507 -6.4502 -5.9717 -5.9702 -5.8382 -5.8374 -4.4304 -4.4285 -4.0500 -4.0499 -2.3928 -2.3909 -2.2039 -2.1994 -1.8829 -1.8792 -1.8539 -1.8481 -0.5990 -0.5933 -0.4108 -0.3982 0.6063 0.6160 0.7049 0.7052 3.6531 3.6563 3.7382 3.7387 5.8267 5.8318 5.8843 5.8900 k =-0.3077 0.6405 0.5317 ( 5063 PWs) bands (ev): -22.4511 -22.4511 -22.4450 -22.4450 -18.4685 -18.4685 -18.4610 -18.4610 -14.0435 -14.0435 -13.9500 -13.9500 -7.1522 -7.1519 -7.0675 -7.0673 -6.5551 -6.5541 -6.4638 -6.4634 -5.9628 -5.9615 -5.8391 -5.8385 -4.4166 -4.4148 -4.0654 -4.0652 -2.3906 -2.3887 -2.2130 -2.2090 -1.8788 -1.8753 -1.8509 -1.8458 -0.5825 -0.5775 -0.4067 -0.3948 0.6068 0.6162 0.6971 0.6971 3.6600 3.6631 3.7404 3.7407 5.8410 5.8463 5.8836 5.8893 k =-0.3077 0.6405 0.5521 ( 5069 PWs) bands (ev): -22.4505 -22.4505 -22.4449 -22.4449 -18.4680 -18.4680 -18.4611 -18.4611 -14.0389 -14.0389 -13.9533 -13.9533 -7.1535 -7.1532 -7.0765 -7.0763 -6.5596 -6.5587 -6.4763 -6.4759 -5.9541 -5.9528 -5.8406 -5.8400 -4.4024 -4.4007 -4.0811 -4.0808 -2.3876 -2.3858 -2.2225 -2.2190 -1.8749 -1.8716 -1.8480 -1.8435 -0.5662 -0.5620 -0.4037 -0.3926 0.6076 0.6165 0.6892 0.6897 3.6669 3.6699 3.7420 3.7422 5.8535 5.8590 5.8833 5.8890 k =-0.3077 0.6405 0.5726 ( 5065 PWs) bands (ev): -22.4499 -22.4499 -22.4449 -22.4449 -18.4675 -18.4675 -18.4613 -18.4613 -14.0343 -14.0342 -13.9567 -13.9567 -7.1544 -7.1541 -7.0853 -7.0851 -6.5632 -6.5624 -6.4881 -6.4877 -5.9455 -5.9444 -5.8425 -5.8421 -4.3879 -4.3862 -4.0970 -4.0966 -2.3841 -2.3823 -2.2322 -2.2293 -1.8712 -1.8681 -1.8453 -1.8413 -0.5503 -0.5468 -0.4019 -0.3915 0.6087 0.6171 0.6818 0.6825 3.6738 3.6765 3.7431 3.7432 5.8642 5.8696 5.8837 5.8891 k =-0.3077 0.6405 0.5930 ( 5067 PWs) bands (ev): -22.4494 -22.4494 -22.4449 -22.4449 -18.4670 -18.4670 -18.4615 -18.4615 -14.0296 -14.0296 -13.9603 -13.9603 -7.1549 -7.1546 -7.0936 -7.0934 -6.5661 -6.5654 -6.4991 -6.4988 -5.9372 -5.9362 -5.8449 -5.8446 -4.3730 -4.3714 -4.1131 -4.1127 -2.3799 -2.3782 -2.2421 -2.2397 -1.8677 -1.8650 -1.8427 -1.8393 -0.5348 -0.5321 -0.4012 -0.3916 0.6100 0.6179 0.6746 0.6758 3.6805 3.6831 3.7435 3.7436 5.8730 5.8776 5.8852 5.8895 k =-0.3077 0.6405 0.6135 ( 5064 PWs) bands (ev): -22.4489 -22.4489 -22.4449 -22.4449 -18.4666 -18.4666 -18.4617 -18.4617 -14.0249 -14.0249 -13.9640 -13.9640 -7.1550 -7.1548 -7.1015 -7.1012 -6.5682 -6.5676 -6.5094 -6.5092 -5.9291 -5.9282 -5.8478 -5.8475 -4.3579 -4.3563 -4.1294 -4.1289 -2.3751 -2.3735 -2.2522 -2.2501 -1.8646 -1.8621 -1.8403 -1.8375 -0.5197 -0.5178 -0.4017 -0.3928 0.6115 0.6190 0.6679 0.6694 3.6871 3.6895 3.7433 3.7435 5.8799 5.8816 5.8890 5.8904 k =-0.3077 0.6405 0.6339 ( 5081 PWs) bands (ev): -22.4484 -22.4484 -22.4450 -22.4450 -18.4661 -18.4661 -18.4619 -18.4619 -14.0202 -14.0202 -13.9678 -13.9678 -7.1547 -7.1544 -7.1089 -7.1087 -6.5695 -6.5689 -6.5189 -6.5188 -5.9213 -5.9205 -5.8511 -5.8509 -4.3424 -4.3410 -4.1458 -4.1452 -2.3697 -2.3682 -2.2622 -2.2606 -1.8618 -1.8596 -1.8381 -1.8358 -0.5052 -0.5041 -0.4034 -0.3953 0.6134 0.6204 0.6615 0.6634 3.6935 3.6958 3.7425 3.7428 5.8835 5.8850 5.8917 5.8936 k =-0.3077 0.6405 0.6544 ( 5079 PWs) bands (ev): -22.4479 -22.4479 -22.4451 -22.4451 -18.4657 -18.4657 -18.4622 -18.4622 -14.0156 -14.0156 -13.9717 -13.9717 -7.1539 -7.1536 -7.1157 -7.1155 -6.5699 -6.5694 -6.5276 -6.5276 -5.9137 -5.9130 -5.8548 -5.8547 -4.3268 -4.3253 -4.1624 -4.1617 -2.3637 -2.3624 -2.2721 -2.2709 -1.8593 -1.8575 -1.8363 -1.8344 -0.4914 -0.4910 -0.4062 -0.3989 0.6155 0.6221 0.6554 0.6578 3.6996 3.7018 3.7411 3.7416 5.8849 5.8885 5.8933 5.8973 k =-0.3077 0.6405 0.6748 ( 5086 PWs) bands (ev): -22.4475 -22.4475 -22.4452 -22.4452 -18.4652 -18.4652 -18.4625 -18.4625 -14.0109 -14.0109 -13.9757 -13.9757 -7.1526 -7.1523 -7.1221 -7.1219 -6.5695 -6.5691 -6.5356 -6.5356 -5.9064 -5.9058 -5.8590 -5.8589 -4.3108 -4.3095 -4.1790 -4.1782 -2.3573 -2.3562 -2.2818 -2.2810 -1.8573 -1.8558 -1.8347 -1.8333 -0.4786 -0.4782 -0.4102 -0.4036 0.6179 0.6240 0.6498 0.6525 3.7055 3.7075 3.7391 3.7398 5.8864 5.8906 5.8951 5.8997 k =-0.3077 0.6405 0.6953 ( 5076 PWs) bands (ev): -22.4471 -22.4471 -22.4453 -22.4453 -18.4648 -18.4648 -18.4627 -18.4627 -14.0063 -14.0063 -13.9798 -13.9798 -7.1507 -7.1505 -7.1279 -7.1277 -6.5683 -6.5679 -6.5427 -6.5427 -5.8994 -5.8988 -5.8635 -5.8635 -4.2947 -4.2934 -4.1956 -4.1948 -2.3506 -2.3496 -2.2911 -2.2906 -1.8556 -1.8544 -1.8334 -1.8324 -0.4669 -0.4658 -0.4152 -0.4094 0.6206 0.6263 0.6446 0.6477 3.7111 3.7129 3.7367 3.7375 5.8879 5.8919 5.8967 5.9010 k =-0.3077 0.6405 0.7157 ( 5082 PWs) bands (ev): -22.4467 -22.4467 -22.4455 -22.4455 -18.4644 -18.4644 -18.4630 -18.4630 -14.0017 -14.0017 -13.9841 -13.9840 -7.1484 -7.1481 -7.1332 -7.1329 -6.5662 -6.5658 -6.5491 -6.5490 -5.8927 -5.8923 -5.8685 -5.8683 -4.2785 -4.2772 -4.2123 -4.2113 -2.3438 -2.3431 -2.2997 -2.2994 -1.8543 -1.8535 -1.8325 -1.8318 -0.4561 -0.4542 -0.4213 -0.4162 0.6237 0.6288 0.6398 0.6433 3.7163 3.7179 3.7337 3.7347 5.8894 5.8926 5.8980 5.9014 k =-0.3077 0.6405 0.7362 ( 5088 PWs) bands (ev): -22.4463 -22.4463 -22.4458 -22.4458 -18.4641 -18.4641 -18.4634 -18.4634 -13.9972 -13.9972 -13.9884 -13.9884 -7.1454 -7.1452 -7.1378 -7.1376 -6.5632 -6.5630 -6.5545 -6.5544 -5.8865 -5.8862 -5.8736 -5.8734 -4.2620 -4.2609 -4.2289 -4.2279 -2.3378 -2.3374 -2.3066 -2.3065 -1.8534 -1.8531 -1.8319 -1.8315 -0.4462 -0.4436 -0.4282 -0.4241 0.6270 0.6314 0.6357 0.6392 3.7209 3.7222 3.7305 3.7315 5.8908 5.8925 5.8992 5.9011 k =-0.3077 0.6405 0.7566 ( 5084 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4637 -18.4637 -18.4637 -18.4637 -13.9928 -13.9928 -13.9927 -13.9927 -7.1420 -7.1420 -7.1416 -7.1416 -6.5602 -6.5602 -6.5582 -6.5582 -5.8823 -5.8823 -5.8772 -5.8772 -4.2457 -4.2457 -4.2442 -4.2442 -2.3349 -2.3349 -2.3096 -2.3096 -1.8530 -1.8530 -1.8315 -1.8315 -0.4380 -0.4380 -0.4321 -0.4321 0.6305 0.6305 0.6358 0.6358 3.7242 3.7242 3.7288 3.7288 5.8919 5.8919 5.9003 5.9003 k =-0.3077 0.6405 0.7566 ( 5084 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4637 -18.4637 -18.4637 -18.4637 -13.9928 -13.9928 -13.9927 -13.9927 -7.1420 -7.1420 -7.1416 -7.1416 -6.5602 -6.5602 -6.5582 -6.5582 -5.8823 -5.8823 -5.8772 -5.8772 -4.2457 -4.2457 -4.2442 -4.2442 -2.3349 -2.3349 -2.3096 -2.3096 -1.8530 -1.8530 -1.8315 -1.8315 -0.4380 -0.4380 -0.4321 -0.4321 0.6305 0.6305 0.6358 0.6358 3.7242 3.7242 3.7288 3.7288 5.8919 5.8919 5.9003 5.9003 k =-0.3164 0.6223 0.7566 ( 5084 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4639 -18.4639 -18.4639 -18.4639 -13.9924 -13.9924 -13.9924 -13.9924 -7.1416 -7.1416 -7.1412 -7.1412 -6.5541 -6.5541 -6.5521 -6.5521 -5.8900 -5.8900 -5.8849 -5.8849 -4.2446 -4.2446 -4.2431 -4.2431 -2.3344 -2.3344 -2.3096 -2.3096 -1.8537 -1.8537 -1.8325 -1.8325 -0.4377 -0.4377 -0.4319 -0.4319 0.6269 0.6269 0.6322 0.6322 3.7263 3.7263 3.7308 3.7308 5.8971 5.8971 5.9055 5.9055 k =-0.3252 0.6041 0.7566 ( 5080 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4640 -18.4640 -18.4640 -18.4640 -13.9921 -13.9921 -13.9921 -13.9921 -7.1411 -7.1411 -7.1407 -7.1407 -6.5473 -6.5473 -6.5452 -6.5452 -5.8986 -5.8986 -5.8936 -5.8936 -4.2435 -4.2435 -4.2420 -4.2420 -2.3338 -2.3338 -2.3094 -2.3094 -1.8549 -1.8549 -1.8342 -1.8342 -0.4373 -0.4373 -0.4317 -0.4317 0.6238 0.6238 0.6290 0.6290 3.7282 3.7282 3.7326 3.7326 5.9024 5.9024 5.9108 5.9108 k =-0.3339 0.5859 0.7566 ( 5078 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4642 -18.4642 -18.4642 -18.4642 -13.9918 -13.9918 -13.9918 -13.9918 -7.1403 -7.1403 -7.1399 -7.1399 -6.5398 -6.5398 -6.5377 -6.5377 -5.9081 -5.9081 -5.9031 -5.9031 -4.2424 -4.2424 -4.2410 -4.2410 -2.3330 -2.3330 -2.3091 -2.3091 -1.8567 -1.8567 -1.8364 -1.8364 -0.4369 -0.4369 -0.4314 -0.4314 0.6211 0.6211 0.6262 0.6262 3.7301 3.7301 3.7344 3.7344 5.9079 5.9079 5.9162 5.9162 k =-0.3427 0.5677 0.7566 ( 5074 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4644 -18.4644 -18.4643 -18.4643 -13.9915 -13.9915 -13.9915 -13.9915 -7.1394 -7.1394 -7.1391 -7.1391 -6.5316 -6.5316 -6.5294 -6.5294 -5.9184 -5.9184 -5.9134 -5.9134 -4.2414 -4.2414 -4.2400 -4.2400 -2.3320 -2.3320 -2.3087 -2.3087 -1.8590 -1.8590 -1.8391 -1.8391 -0.4363 -0.4363 -0.4310 -0.4310 0.6189 0.6189 0.6238 0.6238 3.7319 3.7319 3.7361 3.7361 5.9136 5.9136 5.9219 5.9219 k =-0.3514 0.5495 0.7566 ( 5074 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4645 -18.4645 -18.4645 -18.4645 -13.9912 -13.9912 -13.9912 -13.9912 -7.1384 -7.1384 -7.1380 -7.1380 -6.5227 -6.5227 -6.5205 -6.5205 -5.9295 -5.9295 -5.9246 -5.9246 -4.2404 -4.2404 -4.2390 -4.2390 -2.3308 -2.3308 -2.3081 -2.3081 -1.8617 -1.8617 -1.8423 -1.8423 -0.4357 -0.4357 -0.4306 -0.4306 0.6170 0.6170 0.6218 0.6218 3.7337 3.7337 3.7377 3.7377 5.9194 5.9194 5.9276 5.9276 k =-0.3601 0.5313 0.7566 ( 5078 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4646 -18.4646 -18.4646 -18.4646 -13.9910 -13.9910 -13.9909 -13.9909 -7.1373 -7.1373 -7.1369 -7.1369 -6.5132 -6.5132 -6.5109 -6.5109 -5.9412 -5.9412 -5.9364 -5.9364 -4.2395 -4.2395 -4.2382 -4.2382 -2.3295 -2.3295 -2.3075 -2.3075 -1.8648 -1.8648 -1.8460 -1.8460 -0.4350 -0.4350 -0.4302 -0.4302 0.6155 0.6155 0.6201 0.6201 3.7353 3.7353 3.7391 3.7391 5.9253 5.9253 5.9335 5.9335 k =-0.3689 0.5131 0.7566 ( 5066 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4648 -18.4648 -18.4648 -18.4648 -13.9907 -13.9907 -13.9907 -13.9907 -7.1360 -7.1360 -7.1357 -7.1357 -6.5031 -6.5031 -6.5007 -6.5007 -5.9536 -5.9536 -5.9488 -5.9488 -4.2386 -4.2386 -4.2374 -4.2374 -2.3280 -2.3280 -2.3067 -2.3067 -1.8682 -1.8682 -1.8500 -1.8500 -0.4343 -0.4343 -0.4297 -0.4297 0.6143 0.6143 0.6187 0.6187 3.7369 3.7369 3.7405 3.7405 5.9313 5.9313 5.9394 5.9394 k =-0.3776 0.4949 0.7566 ( 5070 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4649 -18.4649 -18.4649 -18.4649 -13.9904 -13.9904 -13.9904 -13.9904 -7.1348 -7.1348 -7.1344 -7.1344 -6.4924 -6.4924 -6.4900 -6.4900 -5.9666 -5.9666 -5.9619 -5.9619 -4.2378 -4.2378 -4.2366 -4.2366 -2.3264 -2.3264 -2.3059 -2.3059 -1.8719 -1.8719 -1.8544 -1.8544 -0.4335 -0.4335 -0.4291 -0.4291 0.6134 0.6134 0.6176 0.6176 3.7383 3.7383 3.7418 3.7418 5.9375 5.9375 5.9455 5.9455 k =-0.3864 0.4767 0.7566 ( 5066 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4650 -18.4650 -18.4650 -18.4650 -13.9902 -13.9902 -13.9902 -13.9902 -7.1334 -7.1334 -7.1331 -7.1331 -6.4812 -6.4812 -6.4788 -6.4788 -5.9801 -5.9801 -5.9754 -5.9754 -4.2370 -4.2370 -4.2359 -4.2359 -2.3246 -2.3246 -2.3049 -2.3049 -1.8758 -1.8758 -1.8589 -1.8589 -0.4326 -0.4326 -0.4285 -0.4285 0.6127 0.6127 0.6167 0.6167 3.7397 3.7397 3.7430 3.7430 5.9437 5.9437 5.9517 5.9517 k =-0.3951 0.4585 0.7566 ( 5066 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4652 -18.4652 -18.4651 -18.4651 -13.9900 -13.9900 -13.9900 -13.9900 -7.1321 -7.1321 -7.1318 -7.1318 -6.4696 -6.4696 -6.4671 -6.4671 -5.9939 -5.9939 -5.9894 -5.9894 -4.2364 -4.2364 -4.2353 -4.2353 -2.3226 -2.3226 -2.3040 -2.3040 -1.8797 -1.8797 -1.8637 -1.8637 -0.4317 -0.4317 -0.4280 -0.4280 0.6122 0.6122 0.6160 0.6160 3.7410 3.7410 3.7440 3.7440 5.9500 5.9500 5.9579 5.9579 k =-0.4038 0.4403 0.7566 ( 5066 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4653 -18.4653 -18.4653 -18.4653 -13.9898 -13.9898 -13.9898 -13.9898 -7.1307 -7.1307 -7.1304 -7.1304 -6.4576 -6.4576 -6.4551 -6.4551 -6.0081 -6.0081 -6.0036 -6.0036 -4.2357 -4.2357 -4.2348 -4.2348 -2.3206 -2.3206 -2.3030 -2.3030 -1.8837 -1.8837 -1.8686 -1.8686 -0.4309 -0.4309 -0.4274 -0.4274 0.6119 0.6119 0.6154 0.6154 3.7421 3.7421 3.7450 3.7450 5.9564 5.9564 5.9641 5.9641 k =-0.4126 0.4222 0.7566 ( 5070 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4654 -18.4654 -18.4654 -18.4654 -13.9896 -13.9896 -13.9896 -13.9896 -7.1294 -7.1294 -7.1292 -7.1292 -6.4453 -6.4453 -6.4428 -6.4428 -6.0224 -6.0224 -6.0181 -6.0181 -4.2352 -4.2352 -4.2343 -4.2343 -2.3184 -2.3184 -2.3020 -2.3020 -1.8877 -1.8877 -1.8735 -1.8735 -0.4300 -0.4300 -0.4268 -0.4268 0.6118 0.6118 0.6150 0.6150 3.7432 3.7432 3.7458 3.7458 5.9627 5.9627 5.9703 5.9703 k =-0.4213 0.4040 0.7566 ( 5074 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4655 -18.4655 -18.4655 -18.4655 -13.9895 -13.9895 -13.9894 -13.9894 -7.1282 -7.1282 -7.1279 -7.1279 -6.4329 -6.4329 -6.4303 -6.4303 -6.0367 -6.0367 -6.0326 -6.0326 -4.2347 -4.2347 -4.2338 -4.2338 -2.3162 -2.3162 -2.3010 -2.3010 -1.8914 -1.8914 -1.8783 -1.8783 -0.4291 -0.4291 -0.4262 -0.4262 0.6117 0.6117 0.6147 0.6147 3.7442 3.7442 3.7466 3.7466 5.9691 5.9691 5.9765 5.9765 k =-0.4301 0.3858 0.7566 ( 5070 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4656 -18.4656 -18.4656 -18.4656 -13.9893 -13.9893 -13.9893 -13.9893 -7.1270 -7.1270 -7.1268 -7.1268 -6.4204 -6.4204 -6.4179 -6.4179 -6.0509 -6.0509 -6.0470 -6.0470 -4.2342 -4.2342 -4.2335 -4.2335 -2.3140 -2.3140 -2.3002 -2.3002 -1.8950 -1.8950 -1.8830 -1.8830 -0.4283 -0.4283 -0.4257 -0.4257 0.6118 0.6118 0.6145 0.6145 3.7451 3.7451 3.7472 3.7472 5.9754 5.9754 5.9826 5.9826 k =-0.4388 0.3676 0.7566 ( 5062 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4656 -18.4656 -18.4656 -18.4656 -13.9892 -13.9892 -13.9892 -13.9892 -7.1259 -7.1259 -7.1257 -7.1257 -6.4081 -6.4081 -6.4056 -6.4056 -6.0647 -6.0647 -6.0610 -6.0610 -4.2338 -4.2338 -4.2331 -4.2331 -2.3118 -2.3118 -2.2994 -2.2994 -1.8982 -1.8982 -1.8875 -1.8875 -0.4275 -0.4275 -0.4252 -0.4252 0.6119 0.6119 0.6143 0.6143 3.7459 3.7459 3.7478 3.7478 5.9816 5.9816 5.9885 5.9885 k =-0.4476 0.3494 0.7566 ( 5058 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4657 -18.4657 -18.4657 -18.4657 -13.9890 -13.9890 -13.9890 -13.9890 -7.1249 -7.1249 -7.1248 -7.1248 -6.3962 -6.3962 -6.3938 -6.3938 -6.0779 -6.0779 -6.0745 -6.0745 -4.2335 -4.2335 -4.2329 -4.2329 -2.3096 -2.3096 -2.2988 -2.2988 -1.9011 -1.9011 -1.8917 -1.8917 -0.4268 -0.4268 -0.4248 -0.4248 0.6121 0.6121 0.6141 0.6141 3.7466 3.7466 3.7482 3.7482 5.9877 5.9877 5.9942 5.9942 k =-0.4563 0.3312 0.7566 ( 5062 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4658 -18.4658 -18.4658 -18.4658 -13.9889 -13.9889 -13.9889 -13.9889 -7.1241 -7.1241 -7.1239 -7.1239 -6.3849 -6.3849 -6.3828 -6.3828 -6.0902 -6.0902 -6.0871 -6.0871 -4.2332 -4.2332 -4.2327 -4.2327 -2.3076 -2.3076 -2.2984 -2.2984 -1.9035 -1.9035 -1.8955 -1.8955 -0.4261 -0.4261 -0.4245 -0.4245 0.6123 0.6123 0.6140 0.6140 3.7472 3.7472 3.7486 3.7486 5.9934 5.9934 5.9995 5.9995 k =-0.4650 0.3130 0.7566 ( 5056 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4658 -18.4658 -18.4658 -18.4658 -13.9889 -13.9889 -13.9889 -13.9889 -7.1234 -7.1234 -7.1232 -7.1232 -6.3747 -6.3747 -6.3728 -6.3728 -6.1011 -6.1011 -6.0985 -6.0985 -4.2329 -4.2329 -4.2325 -4.2325 -2.3056 -2.3056 -2.2981 -2.2981 -1.9054 -1.9054 -1.8989 -1.8989 -0.4255 -0.4255 -0.4242 -0.4242 0.6125 0.6125 0.6139 0.6139 3.7477 3.7477 3.7488 3.7488 5.9988 5.9988 6.0042 6.0042 k =-0.4738 0.2948 0.7566 ( 5056 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4658 -18.4658 -18.4658 -18.4658 -13.9888 -13.9888 -13.9888 -13.9888 -7.1228 -7.1228 -7.1227 -7.1227 -6.3659 -6.3659 -6.3643 -6.3643 -6.1103 -6.1103 -6.1082 -6.1082 -4.2327 -4.2327 -4.2324 -4.2324 -2.3038 -2.3038 -2.2981 -2.2981 -1.9068 -1.9068 -1.9018 -1.9018 -0.4250 -0.4250 -0.4240 -0.4240 0.6127 0.6127 0.6138 0.6138 3.7482 3.7482 3.7490 3.7490 6.0037 6.0037 6.0082 6.0082 k =-0.4825 0.2766 0.7566 ( 5062 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4659 -18.4659 -18.4659 -18.4659 -13.9888 -13.9888 -13.9888 -13.9888 -7.1224 -7.1224 -7.1223 -7.1223 -6.3590 -6.3590 -6.3579 -6.3579 -6.1173 -6.1173 -6.1158 -6.1158 -4.2325 -4.2325 -4.2324 -4.2324 -2.3022 -2.3022 -2.2984 -2.2984 -1.9076 -1.9076 -1.9042 -1.9042 -0.4246 -0.4246 -0.4239 -0.4239 0.6129 0.6129 0.6136 0.6136 3.7485 3.7485 3.7491 3.7491 6.0078 6.0078 6.0110 6.0110 k =-0.4913 0.2584 0.7566 ( 5052 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4659 -18.4659 -18.4659 -18.4659 -13.9887 -13.9887 -13.9887 -13.9887 -7.1221 -7.1221 -7.1221 -7.1221 -6.3545 -6.3545 -6.3539 -6.3539 -6.1215 -6.1215 -6.1207 -6.1207 -4.2324 -4.2324 -4.2323 -4.2323 -2.3009 -2.3009 -2.2990 -2.2990 -1.9077 -1.9077 -1.9060 -1.9060 -0.4243 -0.4243 -0.4239 -0.4239 0.6132 0.6132 0.6135 0.6135 3.7488 3.7488 3.7491 3.7491 6.0108 6.0108 6.0125 6.0125 k =-0.5000 0.2402 0.7566 ( 5048 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4659 -18.4659 -18.4659 -18.4659 -13.9887 -13.9887 -13.9887 -13.9887 -7.1220 -7.1220 -7.1220 -7.1220 -6.3528 -6.3528 -6.3528 -6.3528 -6.1227 -6.1227 -6.1227 -6.1227 -4.2324 -4.2324 -4.2324 -4.2324 -2.2998 -2.2998 -2.2998 -2.2998 -1.9071 -1.9071 -1.9071 -1.9071 -0.4240 -0.4240 -0.4240 -0.4240 0.6133 0.6133 0.6133 0.6133 3.7490 3.7490 3.7490 3.7490 6.0124 6.0124 6.0124 6.0124 k =-0.5000 0.2402 0.7566 ( 5048 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4659 -18.4659 -18.4659 -18.4659 -13.9887 -13.9887 -13.9887 -13.9887 -7.1220 -7.1220 -7.1220 -7.1220 -6.3528 -6.3528 -6.3528 -6.3528 -6.1227 -6.1227 -6.1227 -6.1227 -4.2324 -4.2324 -4.2324 -4.2324 -2.2998 -2.2998 -2.2998 -2.2998 -1.9071 -1.9071 -1.9071 -1.9071 -0.4240 -0.4240 -0.4240 -0.4240 0.6133 0.6133 0.6133 0.6133 3.7490 3.7490 3.7490 3.7490 6.0124 6.0124 6.0124 6.0124 k =-0.5000 0.2402 0.7362 ( 5060 PWs) bands (ev): -22.4473 -22.4473 -22.4448 -22.4448 -18.4662 -18.4662 -18.4656 -18.4656 -13.9936 -13.9936 -13.9839 -13.9839 -7.1246 -7.1246 -7.1190 -7.1190 -6.3593 -6.3593 -6.3455 -6.3455 -6.1382 -6.1382 -6.1073 -6.1073 -4.2492 -4.2492 -4.2153 -4.2153 -2.3091 -2.3091 -2.2901 -2.2901 -1.9141 -1.9141 -1.9000 -1.9000 -0.4346 -0.4346 -0.4145 -0.4145 0.6037 0.6037 0.6229 0.6229 3.7395 3.7395 3.7578 3.7578 5.9990 5.9990 6.0242 6.0242 k =-0.5000 0.2402 0.7157 ( 5066 PWs) bands (ev): -22.4485 -22.4485 -22.4437 -22.4437 -18.4665 -18.4665 -18.4654 -18.4654 -13.9986 -13.9986 -13.9791 -13.9791 -7.1268 -7.1268 -7.1157 -7.1157 -6.3650 -6.3650 -6.3374 -6.3374 -6.1539 -6.1539 -6.0920 -6.0920 -4.2659 -4.2659 -4.1982 -4.1982 -2.3180 -2.3180 -2.2801 -2.2801 -1.9209 -1.9209 -1.8927 -1.8927 -0.4462 -0.4462 -0.4060 -0.4060 0.5940 0.5940 0.6325 0.6325 3.7295 3.7295 3.7660 3.7660 5.9839 5.9839 6.0343 6.0343 k =-0.5000 0.2402 0.6953 ( 5066 PWs) bands (ev): -22.4498 -22.4498 -22.4426 -22.4426 -18.4668 -18.4668 -18.4652 -18.4652 -14.0036 -14.0036 -13.9744 -13.9744 -7.1285 -7.1285 -7.1119 -7.1119 -6.3699 -6.3699 -6.3285 -6.3285 -6.1695 -6.1695 -6.0769 -6.0769 -4.2823 -4.2823 -4.1809 -4.1809 -2.3264 -2.3264 -2.2698 -2.2698 -1.9275 -1.9275 -1.8853 -1.8853 -0.4588 -0.4588 -0.3987 -0.3987 0.5843 0.5843 0.6419 0.6419 3.7190 3.7190 3.7736 3.7736 5.9672 5.9672 6.0429 6.0429 k =-0.5000 0.2402 0.6748 ( 5070 PWs) bands (ev): -22.4511 -22.4511 -22.4415 -22.4415 -18.4671 -18.4671 -18.4650 -18.4650 -14.0087 -14.0087 -13.9698 -13.9698 -7.1300 -7.1300 -7.1078 -7.1078 -6.3741 -6.3741 -6.3188 -6.3188 -6.1852 -6.1852 -6.0620 -6.0620 -4.2984 -4.2984 -4.1635 -4.1635 -2.3344 -2.3344 -2.2593 -2.2593 -1.9339 -1.9339 -1.8778 -1.8778 -0.4724 -0.4724 -0.3924 -0.3924 0.5745 0.5745 0.6513 0.6513 3.7080 3.7080 3.7804 3.7804 5.9489 5.9489 6.0499 6.0499 k =-0.5000 0.2402 0.6544 ( 5074 PWs) bands (ev): -22.4525 -22.4525 -22.4405 -22.4405 -18.4674 -18.4674 -18.4648 -18.4648 -14.0137 -14.0137 -13.9652 -13.9652 -7.1310 -7.1310 -7.1033 -7.1033 -6.3774 -6.3774 -6.3084 -6.3084 -6.2008 -6.2008 -6.0474 -6.0474 -4.3143 -4.3143 -4.1461 -4.1461 -2.3419 -2.3419 -2.2486 -2.2486 -1.9401 -1.9401 -1.8702 -1.8702 -0.4868 -0.4868 -0.3873 -0.3873 0.5648 0.5648 0.6606 0.6606 3.6967 3.6967 3.7865 3.7865 5.9290 5.9290 6.0555 6.0555 k =-0.5000 0.2402 0.6339 ( 5070 PWs) bands (ev): -22.4538 -22.4538 -22.4395 -22.4395 -18.4677 -18.4677 -18.4646 -18.4646 -14.0188 -14.0188 -13.9608 -13.9608 -7.1317 -7.1317 -7.0984 -7.0984 -6.3801 -6.3801 -6.2972 -6.2972 -6.2164 -6.2164 -6.0329 -6.0329 -4.3298 -4.3298 -4.1287 -4.1287 -2.3489 -2.3489 -2.2377 -2.2377 -1.9461 -1.9461 -1.8625 -1.8625 -0.5021 -0.5021 -0.3833 -0.3833 0.5550 0.5550 0.6698 0.6698 3.6850 3.6850 3.7918 3.7918 5.9079 5.9079 6.0598 6.0598 k =-0.5000 0.2402 0.6135 ( 5068 PWs) bands (ev): -22.4552 -22.4552 -22.4386 -22.4386 -18.4681 -18.4681 -18.4644 -18.4644 -14.0239 -14.0239 -13.9565 -13.9565 -7.1320 -7.1320 -7.0932 -7.0932 -6.3819 -6.3819 -6.2854 -6.2854 -6.2319 -6.2319 -6.0188 -6.0188 -4.3449 -4.3449 -4.1114 -4.1114 -2.3553 -2.3553 -2.2267 -2.2267 -1.9519 -1.9519 -1.8547 -1.8547 -0.5181 -0.5181 -0.3805 -0.3805 0.5453 0.5453 0.6789 0.6789 3.6730 3.6730 3.7964 3.7964 5.8854 5.8854 6.0630 6.0630 k =-0.5000 0.2402 0.5930 ( 5072 PWs) bands (ev): -22.4566 -22.4566 -22.4377 -22.4377 -18.4684 -18.4684 -18.4642 -18.4642 -14.0289 -14.0289 -13.9524 -13.9524 -7.1320 -7.1320 -7.0877 -7.0877 -6.3831 -6.3831 -6.2730 -6.2730 -6.2472 -6.2472 -6.0050 -6.0050 -4.3597 -4.3597 -4.0941 -4.0941 -2.3612 -2.3612 -2.2156 -2.2156 -1.9574 -1.9574 -1.8470 -1.8470 -0.5349 -0.5349 -0.3788 -0.3788 0.5356 0.5356 0.6879 0.6879 3.6608 3.6608 3.8001 3.8001 5.8618 5.8618 6.0654 6.0654 k =-0.5000 0.2402 0.5726 ( 5086 PWs) bands (ev): -22.4580 -22.4580 -22.4368 -22.4368 -18.4688 -18.4688 -18.4641 -18.4641 -14.0340 -14.0340 -13.9483 -13.9483 -7.1317 -7.1317 -7.0819 -7.0819 -6.3836 -6.3836 -6.2637 -6.2637 -6.2586 -6.2586 -5.9915 -5.9915 -4.3741 -4.3741 -4.0769 -4.0769 -2.3666 -2.3666 -2.2045 -2.2045 -1.9627 -1.9627 -1.8392 -1.8392 -0.5524 -0.5524 -0.3782 -0.3782 0.5260 0.5260 0.6967 0.6967 3.6484 3.6484 3.8031 3.8031 5.8372 5.8372 6.0672 6.0672 k =-0.5000 0.2402 0.5521 ( 5074 PWs) bands (ev): -22.4595 -22.4595 -22.4360 -22.4360 -18.4691 -18.4691 -18.4639 -18.4639 -14.0390 -14.0390 -13.9444 -13.9444 -7.1312 -7.1312 -7.0758 -7.0758 -6.3835 -6.3835 -6.2778 -6.2778 -6.2457 -6.2457 -5.9784 -5.9784 -4.3880 -4.3880 -4.0598 -4.0598 -2.3714 -2.3714 -2.1935 -2.1935 -1.9677 -1.9677 -1.8314 -1.8314 -0.5705 -0.5705 -0.3787 -0.3787 0.5164 0.5164 0.7055 0.7055 3.6360 3.6360 3.8052 3.8052 5.8118 5.8118 6.0685 6.0685 k =-0.5000 0.2402 0.5317 ( 5080 PWs) bands (ev): -22.4609 -22.4609 -22.4353 -22.4353 -18.4695 -18.4695 -18.4638 -18.4638 -14.0439 -14.0439 -13.9406 -13.9406 -7.1304 -7.1304 -7.0695 -7.0695 -6.3827 -6.3827 -6.2926 -6.2926 -6.2314 -6.2314 -5.9656 -5.9656 -4.4015 -4.4015 -4.0430 -4.0430 -2.3756 -2.3756 -2.1826 -2.1826 -1.9725 -1.9725 -1.8236 -1.8236 -0.5891 -0.5891 -0.3803 -0.3803 0.5070 0.5070 0.7140 0.7140 3.6234 3.6234 3.8066 3.8066 5.7858 5.7858 6.0694 6.0694 k =-0.5000 0.2402 0.5112 ( 5072 PWs) bands (ev): -22.4623 -22.4623 -22.4346 -22.4346 -18.4699 -18.4699 -18.4637 -18.4637 -14.0488 -14.0488 -13.9369 -13.9369 -7.1293 -7.1293 -7.0629 -7.0629 -6.3814 -6.3814 -6.3071 -6.3071 -6.2166 -6.2166 -5.9533 -5.9533 -4.4146 -4.4146 -4.0263 -4.0263 -2.3792 -2.3792 -2.1718 -2.1718 -1.9770 -1.9770 -1.8159 -1.8159 -0.6082 -0.6082 -0.3830 -0.3830 0.4977 0.4977 0.7224 0.7224 3.6110 3.6110 3.8071 3.8071 5.7593 5.7593 6.0700 6.0700 k =-0.5000 0.2402 0.4908 ( 5080 PWs) bands (ev): -22.4637 -22.4637 -22.4339 -22.4339 -18.4703 -18.4703 -18.4636 -18.4636 -14.0536 -14.0536 -13.9334 -13.9334 -7.1281 -7.1281 -7.0563 -7.0563 -6.3795 -6.3795 -6.3213 -6.3213 -6.2013 -6.2013 -5.9413 -5.9413 -4.4271 -4.4271 -4.0099 -4.0099 -2.3824 -2.3824 -2.1613 -2.1613 -1.9814 -1.9814 -1.8083 -1.8083 -0.6276 -0.6276 -0.3866 -0.3866 0.4885 0.4885 0.7307 0.7307 3.5986 3.5986 3.8069 3.8069 5.7324 5.7324 6.0704 6.0704 k =-0.5000 0.2402 0.4703 ( 5084 PWs) bands (ev): -22.4651 -22.4651 -22.4333 -22.4333 -18.4707 -18.4707 -18.4635 -18.4635 -14.0583 -14.0583 -13.9301 -13.9301 -7.1267 -7.1267 -7.0494 -7.0494 -6.3773 -6.3773 -6.3351 -6.3351 -6.1856 -6.1856 -5.9298 -5.9298 -4.4392 -4.4392 -3.9937 -3.9937 -2.3849 -2.3849 -2.1510 -2.1510 -1.9854 -1.9854 -1.8008 -1.8008 -0.6474 -0.6474 -0.3912 -0.3912 0.4794 0.4794 0.7388 0.7388 3.5863 3.5863 3.8059 3.8059 5.7055 5.7055 6.0707 6.0707 k =-0.5000 0.2402 0.4499 ( 5088 PWs) bands (ev): -22.4665 -22.4665 -22.4327 -22.4327 -18.4711 -18.4711 -18.4635 -18.4635 -14.0629 -14.0629 -13.9269 -13.9269 -7.1251 -7.1251 -7.0425 -7.0425 -6.3748 -6.3748 -6.3484 -6.3484 -6.1696 -6.1696 -5.9187 -5.9187 -4.4507 -4.4507 -3.9779 -3.9779 -2.3870 -2.3870 -2.1410 -2.1410 -1.9892 -1.9892 -1.7934 -1.7934 -0.6673 -0.6673 -0.3967 -0.3967 0.4705 0.4705 0.7467 0.7467 3.5743 3.5743 3.8042 3.8042 5.6787 5.6787 6.0710 6.0710 k =-0.5000 0.2402 0.4294 ( 5088 PWs) bands (ev): -22.4679 -22.4679 -22.4321 -22.4321 -18.4714 -18.4714 -18.4634 -18.4634 -14.0673 -14.0673 -13.9238 -13.9238 -7.1234 -7.1234 -7.0355 -7.0355 -6.3731 -6.3731 -6.3601 -6.3601 -6.1534 -6.1534 -5.9080 -5.9080 -4.4617 -4.4617 -3.9625 -3.9625 -2.3885 -2.3885 -2.1313 -2.1313 -1.9928 -1.9928 -1.7862 -1.7862 -0.6874 -0.6874 -0.4030 -0.4030 0.4618 0.4618 0.7544 0.7544 3.5625 3.5625 3.8019 3.8019 5.6520 5.6520 6.0716 6.0716 k =-0.5000 0.2402 0.4090 ( 5086 PWs) bands (ev): -22.4692 -22.4692 -22.4316 -22.4316 -18.4718 -18.4718 -18.4634 -18.4634 -14.0717 -14.0717 -13.9209 -13.9209 -7.1216 -7.1216 -7.0285 -7.0285 -6.3781 -6.3781 -6.3643 -6.3643 -6.1370 -6.1370 -5.8978 -5.8978 -4.4722 -4.4722 -3.9474 -3.9474 -2.3895 -2.3895 -2.1221 -2.1221 -1.9962 -1.9962 -1.7791 -1.7791 -0.7075 -0.7075 -0.4101 -0.4101 0.4534 0.4534 0.7619 0.7619 3.5510 3.5510 3.7989 3.7989 5.6258 5.6258 6.0724 6.0724 k =-0.5000 0.2402 0.3885 ( 5094 PWs) bands (ev): -22.4705 -22.4705 -22.4312 -22.4312 -18.4722 -18.4722 -18.4633 -18.4633 -14.0759 -14.0759 -13.9181 -13.9181 -7.1198 -7.1198 -7.0215 -7.0215 -6.3891 -6.3891 -6.3618 -6.3618 -6.1205 -6.1205 -5.8881 -5.8881 -4.4822 -4.4822 -3.9328 -3.9328 -2.3901 -2.3901 -2.1132 -2.1132 -1.9993 -1.9993 -1.7722 -1.7722 -0.7274 -0.7274 -0.4178 -0.4178 0.4451 0.4451 0.7691 0.7691 3.5399 3.5399 3.7954 3.7954 5.6001 5.6001 6.0736 6.0736 k =-0.5000 0.2402 0.3681 ( 5092 PWs) bands (ev): -22.4718 -22.4718 -22.4308 -22.4308 -18.4726 -18.4726 -18.4633 -18.4633 -14.0800 -14.0800 -13.9155 -13.9155 -7.1179 -7.1179 -7.0146 -7.0146 -6.4007 -6.4007 -6.3580 -6.3580 -6.1040 -6.1040 -5.8788 -5.8788 -4.4916 -4.4916 -3.9186 -3.9186 -2.3903 -2.3903 -2.1048 -2.1048 -2.0022 -2.0022 -1.7655 -1.7655 -0.7472 -0.7472 -0.4262 -0.4262 0.4372 0.4372 0.7761 0.7761 3.5292 3.5292 3.7914 3.7914 5.5750 5.5750 6.0752 6.0752 k =-0.5000 0.2402 0.3476 ( 5098 PWs) bands (ev): -22.4730 -22.4730 -22.4304 -22.4304 -18.4729 -18.4729 -18.4632 -18.4632 -14.0839 -14.0839 -13.9130 -13.9130 -7.1159 -7.1159 -7.0078 -7.0078 -6.4120 -6.4120 -6.3537 -6.3537 -6.0876 -6.0876 -5.8700 -5.8700 -4.5004 -4.5004 -3.9050 -3.9050 -2.3901 -2.3901 -2.0970 -2.0970 -2.0049 -2.0049 -1.7591 -1.7591 -0.7667 -0.7667 -0.4349 -0.4349 0.4295 0.4295 0.7829 0.7829 3.5189 3.5189 3.7869 3.7869 5.5507 5.5507 6.0772 6.0772 k =-0.5000 0.2402 0.3272 ( 5088 PWs) bands (ev): -22.4742 -22.4742 -22.4300 -22.4300 -18.4733 -18.4733 -18.4632 -18.4632 -14.0877 -14.0877 -13.9107 -13.9107 -7.1140 -7.1140 -7.0011 -7.0011 -6.4229 -6.4229 -6.3493 -6.3493 -6.0714 -6.0714 -5.8617 -5.8617 -4.5087 -4.5087 -3.8918 -3.8918 -2.3895 -2.3895 -2.0896 -2.0896 -2.0074 -2.0074 -1.7529 -1.7529 -0.7858 -0.7858 -0.4441 -0.4441 0.4221 0.4221 0.7894 0.7894 3.5091 3.5091 3.7821 3.7821 5.5273 5.5273 6.0798 6.0798 k =-0.5000 0.2402 0.3067 ( 5084 PWs) bands (ev): -22.4754 -22.4754 -22.4297 -22.4297 -18.4736 -18.4736 -18.4632 -18.4632 -14.0912 -14.0912 -13.9085 -13.9085 -7.1121 -7.1121 -6.9946 -6.9946 -6.4333 -6.4333 -6.3447 -6.3447 -6.0555 -6.0555 -5.8539 -5.8539 -4.5164 -4.5164 -3.8793 -3.8793 -2.3887 -2.3887 -2.0828 -2.0828 -2.0097 -2.0097 -1.7470 -1.7470 -0.8043 -0.8043 -0.4535 -0.4535 0.4151 0.4151 0.7956 0.7956 3.4999 3.4999 3.7771 3.7771 5.5049 5.5049 6.0828 6.0828 k =-0.5000 0.2402 0.2863 ( 5088 PWs) bands (ev): -22.4765 -22.4765 -22.4294 -22.4294 -18.4740 -18.4740 -18.4632 -18.4632 -14.0946 -14.0946 -13.9065 -13.9065 -7.1102 -7.1102 -6.9883 -6.9883 -6.4431 -6.4431 -6.3401 -6.3401 -6.0401 -6.0401 -5.8466 -5.8466 -4.5236 -4.5236 -3.8673 -3.8673 -2.3876 -2.3876 -2.0765 -2.0765 -2.0117 -2.0117 -1.7413 -1.7413 -0.8223 -0.8223 -0.4631 -0.4631 0.4084 0.4084 0.8015 0.8015 3.4912 3.4912 3.7718 3.7718 5.4836 5.4836 6.0862 6.0862 k =-0.5000 0.2402 0.2658 ( 5088 PWs) bands (ev): -22.4775 -22.4775 -22.4291 -22.4291 -18.4743 -18.4743 -18.4632 -18.4632 -14.0978 -14.0978 -13.9047 -13.9047 -7.1083 -7.1083 -6.9823 -6.9823 -6.4524 -6.4524 -6.3355 -6.3355 -6.0251 -6.0251 -5.8399 -5.8399 -4.5303 -4.5303 -3.8560 -3.8560 -2.3862 -2.3862 -2.0708 -2.0708 -2.0136 -2.0136 -1.7360 -1.7360 -0.8394 -0.8394 -0.4727 -0.4727 0.4020 0.4020 0.8071 0.8071 3.4830 3.4830 3.7664 3.7664 5.4635 5.4635 6.0900 6.0900 k =-0.5000 0.2402 0.2454 ( 5092 PWs) bands (ev): -22.4785 -22.4785 -22.4289 -22.4289 -18.4746 -18.4746 -18.4632 -18.4632 -14.1008 -14.1008 -13.9029 -13.9029 -7.1066 -7.1066 -6.9766 -6.9766 -6.4611 -6.4611 -6.3310 -6.3310 -6.0106 -6.0106 -5.8336 -5.8336 -4.5364 -4.5364 -3.8454 -3.8454 -2.3847 -2.3847 -2.0656 -2.0656 -2.0153 -2.0153 -1.7310 -1.7310 -0.8558 -0.8558 -0.4822 -0.4822 0.3961 0.3961 0.8124 0.8124 3.4755 3.4755 3.7610 3.7610 5.4447 5.4447 6.0942 6.0942 k =-0.5000 0.2402 0.2249 ( 5092 PWs) bands (ev): -22.4794 -22.4794 -22.4287 -22.4287 -18.4748 -18.4748 -18.4632 -18.4632 -14.1036 -14.1036 -13.9014 -13.9014 -7.1049 -7.1049 -6.9712 -6.9712 -6.4691 -6.4691 -6.3266 -6.3266 -5.9969 -5.9969 -5.8278 -5.8278 -4.5420 -4.5420 -3.8355 -3.8355 -2.3831 -2.3831 -2.0610 -2.0610 -2.0169 -2.0169 -1.7264 -1.7264 -0.8712 -0.8712 -0.4915 -0.4915 0.3905 0.3905 0.8173 0.8173 3.4685 3.4685 3.7556 3.7556 5.4272 5.4272 6.0985 6.0985 k =-0.5000 0.2402 0.2045 ( 5104 PWs) bands (ev): -22.4802 -22.4802 -22.4285 -22.4285 -18.4751 -18.4751 -18.4632 -18.4632 -14.1062 -14.1062 -13.8999 -13.8999 -7.1033 -7.1033 -6.9661 -6.9661 -6.4765 -6.4765 -6.3224 -6.3224 -5.9840 -5.9840 -5.8225 -5.8225 -4.5471 -4.5471 -3.8263 -3.8263 -2.3814 -2.3814 -2.0569 -2.0569 -2.0182 -2.0182 -1.7221 -1.7221 -0.8856 -0.8856 -0.5005 -0.5005 0.3854 0.3854 0.8218 0.8218 3.4622 3.4622 3.7504 3.7504 5.4110 5.4110 6.1030 6.1030 k =-0.5000 0.2402 0.1840 ( 5104 PWs) bands (ev): -22.4810 -22.4810 -22.4283 -22.4283 -18.4753 -18.4753 -18.4632 -18.4632 -14.1085 -14.1085 -13.8986 -13.8986 -7.1019 -7.1019 -6.9614 -6.9614 -6.4833 -6.4833 -6.3185 -6.3185 -5.9720 -5.9720 -5.8177 -5.8177 -4.5516 -4.5516 -3.8179 -3.8179 -2.3797 -2.3797 -2.0534 -2.0534 -2.0194 -2.0194 -1.7181 -1.7181 -0.8989 -0.8989 -0.5091 -0.5091 0.3807 0.3807 0.8260 0.8260 3.4564 3.4564 3.7454 3.7454 5.3963 5.3963 6.1075 6.1075 k =-0.5000 0.2402 0.1636 ( 5104 PWs) bands (ev): -22.4817 -22.4817 -22.4282 -22.4282 -18.4756 -18.4756 -18.4632 -18.4632 -14.1106 -14.1106 -13.8975 -13.8975 -7.1005 -7.1005 -6.9572 -6.9572 -6.4894 -6.4894 -6.3148 -6.3148 -5.9610 -5.9610 -5.8134 -5.8134 -4.5556 -4.5556 -3.8102 -3.8102 -2.3780 -2.3780 -2.0503 -2.0503 -2.0205 -2.0205 -1.7146 -1.7146 -0.9110 -0.9110 -0.5170 -0.5170 0.3764 0.3764 0.8298 0.8298 3.4513 3.4513 3.7406 3.7406 5.3830 5.3830 6.1120 6.1120 k =-0.5000 0.2402 0.1431 ( 5108 PWs) bands (ev): -22.4824 -22.4824 -22.4281 -22.4281 -18.4758 -18.4758 -18.4632 -18.4632 -14.1125 -14.1125 -13.8965 -13.8965 -7.0993 -7.0993 -6.9533 -6.9533 -6.4948 -6.4948 -6.3114 -6.3114 -5.9510 -5.9510 -5.8097 -5.8097 -4.5591 -4.5591 -3.8034 -3.8034 -2.3763 -2.3763 -2.0477 -2.0477 -2.0214 -2.0214 -1.7114 -1.7114 -0.9218 -0.9218 -0.5244 -0.5244 0.3726 0.3726 0.8331 0.8331 3.4468 3.4468 3.7363 3.7363 5.3713 5.3713 6.1163 6.1163 k =-0.5000 0.2402 0.1227 ( 5110 PWs) bands (ev): -22.4829 -22.4829 -22.4280 -22.4280 -18.4759 -18.4759 -18.4632 -18.4632 -14.1141 -14.1141 -13.8956 -13.8956 -7.0983 -7.0983 -6.9500 -6.9500 -6.4995 -6.4995 -6.3084 -6.3084 -5.9422 -5.9422 -5.8064 -5.8064 -4.5622 -4.5622 -3.7975 -3.7975 -2.3748 -2.3748 -2.0455 -2.0455 -2.0222 -2.0222 -1.7087 -1.7087 -0.9313 -0.9313 -0.5309 -0.5309 0.3693 0.3693 0.8361 0.8361 3.4429 3.4429 3.7324 3.7324 5.3610 5.3610 6.1203 6.1203 k =-0.5000 0.2402 0.1022 ( 5110 PWs) bands (ev): -22.4834 -22.4834 -22.4279 -22.4279 -18.4761 -18.4761 -18.4632 -18.4632 -14.1155 -14.1155 -13.8948 -13.8948 -7.0974 -7.0974 -6.9471 -6.9471 -6.5035 -6.5035 -6.3059 -6.3059 -5.9346 -5.9346 -5.8036 -5.8036 -4.5647 -4.5647 -3.7924 -3.7924 -2.3735 -2.3735 -2.0438 -2.0438 -2.0228 -2.0228 -1.7063 -1.7063 -0.9395 -0.9395 -0.5367 -0.5367 0.3665 0.3665 0.8386 0.8386 3.4396 3.4396 3.7290 3.7290 5.3523 5.3523 6.1239 6.1239 k =-0.5000 0.2402 0.0818 ( 5102 PWs) bands (ev): -22.4838 -22.4838 -22.4278 -22.4278 -18.4762 -18.4762 -18.4632 -18.4632 -14.1167 -14.1167 -13.8942 -13.8942 -7.0966 -7.0966 -6.9447 -6.9447 -6.5067 -6.5067 -6.3037 -6.3037 -5.9283 -5.9283 -5.8013 -5.8013 -4.5668 -4.5668 -3.7883 -3.7883 -2.3723 -2.3723 -2.0424 -2.0424 -2.0233 -2.0233 -1.7044 -1.7044 -0.9462 -0.9462 -0.5414 -0.5414 0.3642 0.3642 0.8406 0.8406 3.4369 3.4369 3.7261 3.7261 5.3452 5.3452 6.1270 6.1270 k =-0.5000 0.2402 0.0613 ( 5094 PWs) bands (ev): -22.4841 -22.4841 -22.4278 -22.4278 -18.4763 -18.4763 -18.4632 -18.4632 -14.1175 -14.1175 -13.8938 -13.8938 -7.0960 -7.0960 -6.9429 -6.9429 -6.5093 -6.5093 -6.3020 -6.3020 -5.9234 -5.9234 -5.7996 -5.7996 -4.5684 -4.5684 -3.7850 -3.7850 -2.3714 -2.3714 -2.0413 -2.0413 -2.0237 -2.0237 -1.7029 -1.7029 -0.9515 -0.9515 -0.5452 -0.5452 0.3624 0.3624 0.8422 0.8422 3.4348 3.4348 3.7239 3.7239 5.3397 5.3397 6.1295 6.1295 k =-0.5000 0.2402 0.0409 ( 5094 PWs) bands (ev): -22.4843 -22.4843 -22.4277 -22.4277 -18.4764 -18.4764 -18.4632 -18.4632 -14.1182 -14.1182 -13.8934 -13.8934 -7.0956 -7.0956 -6.9415 -6.9415 -6.5111 -6.5111 -6.3008 -6.3008 -5.9198 -5.9198 -5.7983 -5.7983 -4.5696 -4.5696 -3.7826 -3.7826 -2.3707 -2.3707 -2.0406 -2.0406 -2.0240 -2.0240 -1.7018 -1.7018 -0.9552 -0.9552 -0.5480 -0.5480 0.3611 0.3611 0.8434 0.8434 3.4333 3.4333 3.7222 3.7222 5.3357 5.3357 6.1313 6.1313 k =-0.5000 0.2402 0.0204 ( 5100 PWs) bands (ev): -22.4844 -22.4844 -22.4277 -22.4277 -18.4764 -18.4764 -18.4632 -18.4632 -14.1186 -14.1186 -13.8932 -13.8932 -7.0953 -7.0953 -6.9407 -6.9407 -6.5122 -6.5122 -6.3000 -6.3000 -5.9176 -5.9176 -5.7976 -5.7976 -4.5703 -4.5703 -3.7812 -3.7812 -2.3703 -2.3703 -2.0402 -2.0402 -2.0241 -2.0241 -1.7012 -1.7012 -0.9575 -0.9575 -0.5497 -0.5497 0.3603 0.3603 0.8441 0.8441 3.4324 3.4324 3.7212 3.7212 5.3333 5.3333 6.1324 6.1324 k =-0.5000 0.2402 0.0000 ( 5100 PWs) bands (ev): -22.4845 -22.4845 -22.4277 -22.4277 -18.4764 -18.4764 -18.4632 -18.4632 -14.1187 -14.1187 -13.8932 -13.8932 -7.0953 -7.0953 -6.9404 -6.9404 -6.5126 -6.5126 -6.2998 -6.2998 -5.9169 -5.9169 -5.7973 -5.7973 -4.5705 -4.5705 -3.7808 -3.7808 -2.3702 -2.3702 -2.0400 -2.0400 -2.0242 -2.0242 -1.7010 -1.7010 -0.9583 -0.9583 -0.5502 -0.5502 0.3601 0.3601 0.8443 0.8443 3.4321 3.4321 3.7209 3.7209 5.3325 5.3325 6.1328 6.1328 k = 0.0000 0.0000 0.7566 ( 5066 PWs) bands (ev): -22.4470 -22.4470 -22.4470 -22.4470 -18.4600 -18.4600 -18.4600 -18.4600 -14.0021 -14.0021 -14.0021 -14.0021 -7.0729 -7.0729 -7.0729 -7.0729 -6.3804 -6.3804 -6.3804 -6.3804 -6.1027 -6.1027 -6.1027 -6.1027 -4.2654 -4.2654 -4.2654 -4.2654 -2.2587 -2.2587 -2.2587 -2.2587 -2.0782 -2.0782 -2.0782 -2.0782 -0.4199 -0.4199 -0.4199 -0.4199 0.9009 0.9009 0.9009 0.9009 3.6671 3.6671 3.6671 3.6671 5.8434 5.8434 5.8434 5.8434 k =-0.0185 0.0089 0.7566 ( 5076 PWs) bands (ev): -22.4470 -22.4470 -22.4470 -22.4470 -18.4601 -18.4601 -18.4601 -18.4601 -14.0020 -14.0020 -14.0020 -14.0020 -7.0732 -7.0732 -7.0731 -7.0731 -6.3801 -6.3801 -6.3801 -6.3801 -6.1028 -6.1028 -6.1028 -6.1028 -4.2656 -4.2656 -4.2655 -4.2655 -2.2586 -2.2586 -2.2584 -2.2584 -2.0777 -2.0777 -2.0776 -2.0776 -0.4202 -0.4202 -0.4200 -0.4200 0.8999 0.8999 0.8999 0.8999 3.6673 3.6673 3.6675 3.6675 5.8441 5.8441 5.8442 5.8442 k =-0.0370 0.0178 0.7566 ( 5074 PWs) bands (ev): -22.4470 -22.4470 -22.4470 -22.4470 -18.4601 -18.4601 -18.4601 -18.4601 -14.0019 -14.0019 -14.0019 -14.0019 -7.0739 -7.0739 -7.0738 -7.0738 -6.3795 -6.3795 -6.3794 -6.3794 -6.1030 -6.1030 -6.1030 -6.1030 -4.2659 -4.2659 -4.2658 -4.2658 -2.2582 -2.2582 -2.2578 -2.2578 -2.0761 -2.0761 -2.0760 -2.0760 -0.4209 -0.4209 -0.4206 -0.4206 0.8971 0.8971 0.8971 0.8971 3.6683 3.6683 3.6686 3.6686 5.8465 5.8465 5.8465 5.8465 k =-0.0556 0.0267 0.7566 ( 5068 PWs) bands (ev): -22.4470 -22.4470 -22.4470 -22.4470 -18.4602 -18.4602 -18.4602 -18.4602 -14.0017 -14.0017 -14.0017 -14.0017 -7.0751 -7.0751 -7.0750 -7.0750 -6.3783 -6.3783 -6.3782 -6.3782 -6.1033 -6.1033 -6.1033 -6.1033 -4.2664 -4.2664 -4.2662 -4.2662 -2.2575 -2.2575 -2.2569 -2.2569 -2.0734 -2.0734 -2.0734 -2.0734 -0.4221 -0.4221 -0.4215 -0.4215 0.8924 0.8924 0.8924 0.8924 3.6700 3.6700 3.6704 3.6704 5.8503 5.8503 5.8504 5.8504 k =-0.0741 0.0356 0.7566 ( 5074 PWs) bands (ev): -22.4470 -22.4470 -22.4470 -22.4470 -18.4604 -18.4604 -18.4604 -18.4604 -14.0014 -14.0014 -14.0014 -14.0014 -7.0767 -7.0767 -7.0765 -7.0765 -6.3768 -6.3768 -6.3766 -6.3766 -6.1038 -6.1038 -6.1038 -6.1038 -4.2670 -4.2670 -4.2668 -4.2668 -2.2567 -2.2567 -2.2559 -2.2559 -2.0698 -2.0698 -2.0697 -2.0697 -0.4235 -0.4235 -0.4228 -0.4228 0.8859 0.8859 0.8859 0.8859 3.6722 3.6722 3.6728 3.6728 5.8557 5.8557 5.8557 5.8557 k =-0.0926 0.0445 0.7566 ( 5078 PWs) bands (ev): -22.4469 -22.4469 -22.4469 -22.4469 -18.4605 -18.4605 -18.4605 -18.4605 -14.0010 -14.0010 -14.0010 -14.0010 -7.0787 -7.0787 -7.0785 -7.0785 -6.3749 -6.3749 -6.3747 -6.3747 -6.1044 -6.1044 -6.1044 -6.1044 -4.2677 -4.2677 -4.2674 -4.2674 -2.2557 -2.2557 -2.2547 -2.2547 -2.0651 -2.0651 -2.0651 -2.0651 -0.4253 -0.4253 -0.4244 -0.4244 0.8777 0.8777 0.8777 0.8777 3.6751 3.6751 3.6757 3.6757 5.8624 5.8624 5.8625 5.8625 k =-0.1111 0.0534 0.7566 ( 5078 PWs) bands (ev): -22.4469 -22.4469 -22.4469 -22.4469 -18.4607 -18.4607 -18.4607 -18.4607 -14.0005 -14.0005 -14.0005 -14.0005 -7.0810 -7.0810 -7.0808 -7.0808 -6.3728 -6.3728 -6.3726 -6.3726 -6.1051 -6.1051 -6.1051 -6.1051 -4.2684 -4.2684 -4.2680 -4.2680 -2.2546 -2.2546 -2.2535 -2.2535 -2.0596 -2.0596 -2.0595 -2.0595 -0.4272 -0.4272 -0.4262 -0.4262 0.8679 0.8679 0.8679 0.8679 3.6785 3.6785 3.6792 3.6792 5.8705 5.8705 5.8706 5.8706 k =-0.1296 0.0623 0.7566 ( 5078 PWs) bands (ev): -22.4469 -22.4469 -22.4469 -22.4469 -18.4610 -18.4610 -18.4610 -18.4610 -14.0000 -14.0000 -14.0000 -14.0000 -7.0836 -7.0836 -7.0834 -7.0834 -6.3705 -6.3705 -6.3702 -6.3702 -6.1059 -6.1059 -6.1059 -6.1059 -4.2689 -4.2689 -4.2685 -4.2685 -2.2537 -2.2537 -2.2524 -2.2524 -2.0531 -2.0531 -2.0531 -2.0531 -0.4292 -0.4292 -0.4281 -0.4281 0.8566 0.8566 0.8566 0.8566 3.6823 3.6823 3.6832 3.6832 5.8797 5.8797 5.8798 5.8798 k =-0.1481 0.0712 0.7566 ( 5082 PWs) bands (ev): -22.4468 -22.4468 -22.4468 -22.4468 -18.4612 -18.4612 -18.4612 -18.4612 -13.9994 -13.9994 -13.9994 -13.9994 -7.0864 -7.0864 -7.0861 -7.0861 -6.3680 -6.3680 -6.3678 -6.3678 -6.1068 -6.1068 -6.1068 -6.1068 -4.2693 -4.2693 -4.2688 -4.2688 -2.2530 -2.2530 -2.2516 -2.2516 -2.0459 -2.0459 -2.0458 -2.0458 -0.4313 -0.4313 -0.4300 -0.4300 0.8440 0.8440 0.8440 0.8440 3.6865 3.6865 3.6875 3.6875 5.8900 5.8900 5.8901 5.8901 k =-0.1667 0.0801 0.7566 ( 5078 PWs) bands (ev): -22.4468 -22.4468 -22.4468 -22.4468 -18.4615 -18.4615 -18.4615 -18.4615 -13.9987 -13.9987 -13.9987 -13.9987 -7.0893 -7.0893 -7.0890 -7.0890 -6.3656 -6.3656 -6.3653 -6.3653 -6.1078 -6.1078 -6.1078 -6.1078 -4.2694 -4.2694 -4.2689 -4.2689 -2.2526 -2.2526 -2.2511 -2.2511 -2.0380 -2.0380 -2.0379 -2.0379 -0.4331 -0.4331 -0.4318 -0.4318 0.8302 0.8302 0.8302 0.8302 3.6910 3.6910 3.6921 3.6921 5.9012 5.9012 5.9014 5.9014 k =-0.1852 0.0890 0.7566 ( 5062 PWs) bands (ev): -22.4467 -22.4467 -22.4467 -22.4467 -18.4618 -18.4618 -18.4618 -18.4618 -13.9980 -13.9980 -13.9980 -13.9980 -7.0924 -7.0924 -7.0920 -7.0920 -6.3632 -6.3632 -6.3629 -6.3629 -6.1088 -6.1088 -6.1088 -6.1088 -4.2692 -4.2692 -4.2686 -4.2686 -2.2527 -2.2527 -2.2510 -2.2510 -2.0295 -2.0295 -2.0294 -2.0294 -0.4348 -0.4348 -0.4333 -0.4333 0.8155 0.8155 0.8155 0.8155 3.6958 3.6958 3.6969 3.6969 5.9132 5.9132 5.9134 5.9134 k =-0.2037 0.0979 0.7566 ( 5064 PWs) bands (ev): -22.4467 -22.4467 -22.4467 -22.4467 -18.4621 -18.4621 -18.4621 -18.4621 -13.9973 -13.9973 -13.9973 -13.9973 -7.0954 -7.0954 -7.0951 -7.0951 -6.3610 -6.3610 -6.3607 -6.3607 -6.1099 -6.1099 -6.1099 -6.1099 -4.2686 -4.2686 -4.2680 -4.2680 -2.2532 -2.2532 -2.2515 -2.2515 -2.0204 -2.0204 -2.0203 -2.0203 -0.4362 -0.4362 -0.4347 -0.4347 0.7999 0.7999 0.8000 0.8000 3.7006 3.7006 3.7018 3.7018 5.9257 5.9257 5.9260 5.9260 k =-0.2222 0.1068 0.7566 ( 5072 PWs) bands (ev): -22.4466 -22.4466 -22.4466 -22.4466 -18.4625 -18.4625 -18.4625 -18.4625 -13.9965 -13.9965 -13.9965 -13.9965 -7.0984 -7.0984 -7.0981 -7.0981 -6.3589 -6.3589 -6.3586 -6.3586 -6.1110 -6.1110 -6.1110 -6.1110 -4.2676 -4.2676 -4.2670 -4.2670 -2.2544 -2.2544 -2.2526 -2.2526 -2.0109 -2.0109 -2.0108 -2.0108 -0.4373 -0.4373 -0.4357 -0.4357 0.7838 0.7838 0.7838 0.7838 3.7055 3.7055 3.7067 3.7067 5.9387 5.9387 5.9390 5.9390 k =-0.2407 0.1157 0.7566 ( 5080 PWs) bands (ev): -22.4465 -22.4465 -22.4465 -22.4465 -18.4628 -18.4628 -18.4628 -18.4628 -13.9958 -13.9958 -13.9958 -13.9958 -7.1013 -7.1013 -7.1010 -7.1010 -6.3571 -6.3571 -6.3568 -6.3568 -6.1122 -6.1122 -6.1122 -6.1122 -4.2662 -4.2662 -4.2655 -4.2655 -2.2562 -2.2562 -2.2543 -2.2543 -2.0012 -2.0012 -2.0011 -2.0011 -0.4379 -0.4379 -0.4363 -0.4363 0.7673 0.7673 0.7673 0.7673 3.7104 3.7104 3.7116 3.7116 5.9518 5.9518 5.9522 5.9522 k =-0.2593 0.1246 0.7566 ( 5078 PWs) bands (ev): -22.4465 -22.4465 -22.4465 -22.4465 -18.4631 -18.4631 -18.4631 -18.4631 -13.9950 -13.9950 -13.9950 -13.9950 -7.1042 -7.1042 -7.1038 -7.1038 -6.3555 -6.3555 -6.3552 -6.3552 -6.1134 -6.1134 -6.1134 -6.1134 -4.2643 -4.2643 -4.2636 -4.2636 -2.2586 -2.2586 -2.2567 -2.2567 -1.9913 -1.9913 -1.9912 -1.9912 -0.4381 -0.4381 -0.4365 -0.4365 0.7506 0.7506 0.7506 0.7506 3.7151 3.7151 3.7164 3.7164 5.9650 5.9650 5.9655 5.9655 k =-0.2778 0.1334 0.7566 ( 5070 PWs) bands (ev): -22.4464 -22.4464 -22.4464 -22.4464 -18.4635 -18.4635 -18.4635 -18.4635 -13.9942 -13.9942 -13.9942 -13.9942 -7.1068 -7.1068 -7.1065 -7.1065 -6.3542 -6.3542 -6.3540 -6.3540 -6.1145 -6.1145 -6.1145 -6.1145 -4.2620 -4.2620 -4.2613 -4.2613 -2.2615 -2.2615 -2.2597 -2.2597 -1.9813 -1.9813 -1.9812 -1.9812 -0.4379 -0.4379 -0.4363 -0.4363 0.7340 0.7340 0.7340 0.7340 3.7197 3.7197 3.7210 3.7210 5.9778 5.9778 5.9785 5.9785 k =-0.2963 0.1423 0.7566 ( 5072 PWs) bands (ev): -22.4464 -22.4464 -22.4464 -22.4464 -18.4638 -18.4638 -18.4638 -18.4638 -13.9935 -13.9935 -13.9935 -13.9935 -7.1093 -7.1093 -7.1090 -7.1090 -6.3533 -6.3533 -6.3530 -6.3530 -6.1156 -6.1156 -6.1156 -6.1156 -4.2593 -4.2593 -4.2586 -4.2586 -2.2650 -2.2650 -2.2632 -2.2632 -1.9715 -1.9715 -1.9714 -1.9714 -0.4373 -0.4373 -0.4357 -0.4357 0.7176 0.7176 0.7177 0.7177 3.7241 3.7241 3.7253 3.7253 5.9896 5.9896 5.9906 5.9906 k =-0.3148 0.1512 0.7566 ( 5064 PWs) bands (ev): -22.4463 -22.4463 -22.4463 -22.4463 -18.4641 -18.4641 -18.4641 -18.4641 -13.9927 -13.9927 -13.9927 -13.9927 -7.1115 -7.1115 -7.1112 -7.1112 -6.3525 -6.3525 -6.3523 -6.3523 -6.1167 -6.1167 -6.1167 -6.1167 -4.2563 -4.2563 -4.2556 -4.2556 -2.2689 -2.2689 -2.2672 -2.2672 -1.9619 -1.9619 -1.9618 -1.9618 -0.4364 -0.4364 -0.4348 -0.4348 0.7018 0.7018 0.7018 0.7018 3.7282 3.7282 3.7294 3.7294 5.9982 5.9982 5.9989 5.9989 k =-0.3333 0.1601 0.7566 ( 5064 PWs) bands (ev): -22.4463 -22.4463 -22.4463 -22.4463 -18.4644 -18.4644 -18.4644 -18.4644 -13.9921 -13.9921 -13.9921 -13.9921 -7.1136 -7.1136 -7.1133 -7.1133 -6.3521 -6.3521 -6.3518 -6.3518 -6.1178 -6.1178 -6.1178 -6.1178 -4.2531 -4.2531 -4.2524 -4.2524 -2.2731 -2.2731 -2.2715 -2.2715 -1.9527 -1.9527 -1.9526 -1.9526 -0.4351 -0.4351 -0.4336 -0.4336 0.6867 0.6867 0.6867 0.6867 3.7319 3.7319 3.7331 3.7331 6.0021 6.0021 6.0023 6.0023 k =-0.3519 0.1690 0.7566 ( 5074 PWs) bands (ev): -22.4462 -22.4462 -22.4462 -22.4462 -18.4647 -18.4647 -18.4647 -18.4647 -13.9914 -13.9914 -13.9914 -13.9914 -7.1154 -7.1154 -7.1152 -7.1152 -6.3519 -6.3519 -6.3516 -6.3516 -6.1187 -6.1187 -6.1187 -6.1187 -4.2497 -4.2497 -4.2492 -4.2492 -2.2775 -2.2775 -2.2760 -2.2760 -1.9440 -1.9440 -1.9439 -1.9439 -0.4336 -0.4336 -0.4323 -0.4323 0.6725 0.6725 0.6726 0.6726 3.7354 3.7354 3.7365 3.7365 6.0041 6.0041 6.0046 6.0046 k =-0.3704 0.1779 0.7566 ( 5066 PWs) bands (ev): -22.4462 -22.4462 -22.4462 -22.4462 -18.4650 -18.4650 -18.4650 -18.4650 -13.9908 -13.9908 -13.9908 -13.9908 -7.1170 -7.1170 -7.1168 -7.1168 -6.3518 -6.3518 -6.3516 -6.3516 -6.1196 -6.1196 -6.1196 -6.1196 -4.2464 -4.2464 -4.2459 -4.2459 -2.2819 -2.2819 -2.2805 -2.2805 -1.9360 -1.9360 -1.9359 -1.9359 -0.4320 -0.4320 -0.4308 -0.4308 0.6595 0.6595 0.6595 0.6595 3.7385 3.7385 3.7395 3.7395 6.0058 6.0058 6.0064 6.0064 k =-0.3889 0.1868 0.7566 ( 5058 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4652 -18.4652 -18.4652 -18.4652 -13.9903 -13.9903 -13.9903 -13.9903 -7.1184 -7.1184 -7.1182 -7.1182 -6.3519 -6.3519 -6.3517 -6.3517 -6.1204 -6.1204 -6.1204 -6.1204 -4.2432 -4.2432 -4.2427 -4.2427 -2.2861 -2.2861 -2.2849 -2.2849 -1.9287 -1.9287 -1.9287 -1.9287 -0.4303 -0.4303 -0.4292 -0.4292 0.6478 0.6478 0.6479 0.6479 3.7412 3.7412 3.7421 3.7421 6.0074 6.0074 6.0080 6.0080 k =-0.4074 0.1957 0.7566 ( 5058 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4654 -18.4654 -18.4654 -18.4654 -13.9898 -13.9898 -13.9898 -13.9898 -7.1195 -7.1195 -7.1194 -7.1194 -6.3521 -6.3521 -6.3519 -6.3519 -6.1211 -6.1211 -6.1211 -6.1211 -4.2402 -4.2402 -4.2398 -4.2398 -2.2900 -2.2900 -2.2890 -2.2890 -1.9224 -1.9224 -1.9223 -1.9223 -0.4287 -0.4287 -0.4278 -0.4278 0.6376 0.6376 0.6377 0.6377 3.7435 3.7435 3.7443 3.7443 6.0088 6.0088 6.0094 6.0094 k =-0.4259 0.2046 0.7566 ( 5054 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4656 -18.4656 -18.4656 -18.4656 -13.9894 -13.9894 -13.9894 -13.9894 -7.1204 -7.1204 -7.1203 -7.1203 -6.3523 -6.3523 -6.3521 -6.3521 -6.1217 -6.1217 -6.1216 -6.1216 -4.2376 -4.2376 -4.2372 -4.2372 -2.2934 -2.2934 -2.2926 -2.2926 -1.9170 -1.9170 -1.9170 -1.9170 -0.4272 -0.4272 -0.4265 -0.4265 0.6291 0.6291 0.6291 0.6291 3.7454 3.7454 3.7460 3.7460 6.0100 6.0100 6.0105 6.0105 k =-0.4444 0.2135 0.7566 ( 5058 PWs) bands (ev): -22.4461 -22.4461 -22.4461 -22.4461 -18.4657 -18.4657 -18.4657 -18.4657 -13.9891 -13.9891 -13.9891 -13.9891 -7.1212 -7.1212 -7.1210 -7.1210 -6.3525 -6.3525 -6.3524 -6.3524 -6.1221 -6.1221 -6.1221 -6.1221 -4.2354 -4.2354 -4.2351 -4.2351 -2.2962 -2.2962 -2.2956 -2.2956 -1.9128 -1.9128 -1.9127 -1.9127 -0.4260 -0.4260 -0.4254 -0.4254 0.6223 0.6223 0.6223 0.6223 3.7469 3.7469 3.7474 3.7474 6.0110 6.0110 6.0114 6.0114 k =-0.4630 0.2224 0.7566 ( 5058 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4658 -18.4658 -18.4658 -18.4658 -13.9889 -13.9889 -13.9889 -13.9889 -7.1216 -7.1216 -7.1216 -7.1216 -6.3526 -6.3526 -6.3526 -6.3526 -6.1224 -6.1224 -6.1224 -6.1224 -4.2338 -4.2338 -4.2336 -4.2336 -2.2982 -2.2982 -2.2978 -2.2978 -1.9097 -1.9097 -1.9096 -1.9096 -0.4250 -0.4250 -0.4246 -0.4246 0.6173 0.6173 0.6173 0.6173 3.7480 3.7480 3.7483 3.7483 6.0117 6.0117 6.0120 6.0120 k =-0.4815 0.2313 0.7566 ( 5054 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4659 -18.4659 -18.4659 -18.4659 -13.9888 -13.9888 -13.9888 -13.9888 -7.1219 -7.1219 -7.1219 -7.1219 -6.3527 -6.3527 -6.3527 -6.3527 -6.1226 -6.1226 -6.1226 -6.1226 -4.2327 -4.2327 -4.2326 -4.2326 -2.2995 -2.2995 -2.2992 -2.2992 -1.9078 -1.9078 -1.9078 -1.9078 -0.4243 -0.4243 -0.4241 -0.4241 0.6143 0.6143 0.6143 0.6143 3.7487 3.7487 3.7489 3.7489 6.0122 6.0122 6.0124 6.0124 k =-0.5000 0.2402 0.7566 ( 5048 PWs) bands (ev): -22.4460 -22.4460 -22.4460 -22.4460 -18.4659 -18.4659 -18.4659 -18.4659 -13.9887 -13.9887 -13.9887 -13.9887 -7.1220 -7.1220 -7.1220 -7.1220 -6.3528 -6.3528 -6.3528 -6.3528 -6.1227 -6.1227 -6.1227 -6.1227 -4.2324 -4.2324 -4.2324 -4.2324 -2.2998 -2.2998 -2.2998 -2.2998 -1.9071 -1.9071 -1.9071 -1.9071 -0.4240 -0.4240 -0.4240 -0.4240 0.6133 0.6133 0.6133 0.6133 3.7490 3.7490 3.7490 3.7490 6.0124 6.0124 6.0124 6.0124 Writing output data file N3Cl.save init_run : 3.69s CPU 13.44s WALL ( 1 calls) electrons : 868.39s CPU 882.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.61s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 868.37s CPU 882.38s WALL ( 1 calls) v_of_rho : 0.21s CPU 1.00s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.20s CPU 0.63s WALL ( 1 calls) newd : 0.45s CPU 0.63s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.21s WALL ( 358 calls) cegterg : 676.28s CPU 681.16s WALL ( 716 calls) Called by sum_band: Called by *egterg: h_psi : 322.99s CPU 331.32s WALL ( 12283 calls) s_psi : 30.87s CPU 31.24s WALL ( 12283 calls) g_psi : 0.89s CPU 0.90s WALL ( 11209 calls) cdiaghg : 224.66s CPU 222.44s WALL ( 11567 calls) cegterg:over : 64.05s CPU 60.60s WALL ( 11209 calls) cegterg:upda : 13.89s CPU 17.35s WALL ( 11209 calls) cegterg:last : 12.23s CPU 13.09s WALL ( 2146 calls) Called by h_psi: h_psi:vloc : 253.68s CPU 260.28s WALL ( 12283 calls) h_psi:vnl : 69.01s CPU 70.15s WALL ( 12283 calls) add_vuspsi : 22.04s CPU 26.38s WALL ( 12283 calls) General routines calbec : 46.93s CPU 43.64s WALL ( 12283 calls) fft : 0.58s CPU 1.63s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 241.14s CPU 246.41s WALL ( 1289364 calls) interpolate : 0.02s CPU 0.06s WALL ( 4 calls) davcio : 0.04s CPU 9.70s WALL ( 716 calls) Parallel routines fft_scatter : 149.14s CPU 151.19s WALL ( 1289387 calls) PWSCF : 16m14.19s CPU 23m56.51s WALL This run was terminated on: 23:14:34 28Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=